#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1f n ARG 14 N 0.00 0.10 0.09 -0.14 1.74 -1.26 -4.83 116.66 112.35 3e1f n ARG 14 Ca 0.00 0.02 0.12 0.00 -0.77 0.00 0.00 57.85 57.21 3e1f n ARG 14 Cb 0.00 -1.62 0.04 0.00 -1.02 0.00 0.00 32.46 29.86 3e1f n ARG 14 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3e1f h ASP 15 N 11.03 0.00 -0.02 0.55 3.32 -1.95 -3.31 116.42 126.03 3e1f h ASP 15 Ca -0.09 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.88 3e1f h ASP 15 Cb 1.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.91 3e1f h ASP 15 CO 1.24 0.04 0.00 -2.67 -1.72 0.00 0.00 179.24 176.13 3e1f n TRP 16 N -2.49 0.03 -2.16 4.55 2.14 -1.26 -3.29 117.44 114.96 3e1f n TRP 16 Ca 0.01 -0.01 -0.03 0.00 2.07 0.00 0.00 57.50 59.53 3e1f n TRP 16 Cb 0.51 0.00 0.09 0.00 -0.81 0.00 0.00 31.31 31.10 3e1f n TRP 16 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 3e1f n GLU 17 N -0.63 1.73 -3.46 -2.67 1.02 -1.25 0.73 120.64 116.12 3e1f n GLU 17 Ca 0.13 -3.24 -0.20 0.00 -0.02 0.00 0.00 57.16 53.82 3e1f n GLU 17 Cb 0.09 -1.39 -0.12 0.00 -0.02 0.00 0.00 31.44 30.01 3e1f n GLU 17 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3e1f s ASN 18 N -3.14 2.07 0.00 1.62 2.47 -1.21 -4.70 114.94 112.06 3e1f s ASN 18 Ca 0.38 -0.77 0.05 0.00 0.42 0.00 0.00 52.86 52.95 3e1f s ASN 18 Cb 0.38 0.26 0.28 0.00 -1.45 0.00 0.00 41.25 40.72 3e1f s ASN 18 CO -0.06 -0.39 0.97 -0.81 -3.72 0.00 0.00 177.10 173.09 3e1f n PRO 19 N 5.30 0.09 0.14 0.43 -0.04 -1.26 -0.97 135.00 138.69 3e1f n PRO 19 Ca -0.04 0.20 0.08 0.00 -0.04 0.00 0.00 63.50 63.70 3e1f n PRO 19 Cb 0.46 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.47 3e1f n PRO 19 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3e1f h GLY 20 N 0.87 0.00 -7.71 0.55 0.00 -1.94 -3.37 103.07 91.48 3e1f h GLY 20 Ca 0.00 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.64 3e1f h GLY 20 CO 0.00 0.00 -0.66 0.14 0.00 0.00 0.00 176.54 176.02 3e1f s VAL 21 N -3.16 3.15 -0.71 4.60 1.01 -0.14 -4.91 120.40 120.23 3e1f s VAL 21 Ca 0.03 -1.47 0.08 0.00 0.00 0.00 0.00 61.98 60.62 3e1f s VAL 21 Cb 0.07 -2.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 3e1f s VAL 21 CO 0.74 -0.22 0.54 0.35 0.00 0.00 0.00 175.10 176.51 3e1f n THR 22 N 4.64 0.00 -3.60 3.92 -2.24 -1.26 -4.77 114.28 110.98 3e1f n THR 22 Ca -0.11 -0.40 -0.05 0.00 -2.27 0.00 0.00 64.05 61.22 3e1f n THR 22 Cb 0.43 1.08 -0.02 0.00 -2.10 0.00 0.00 70.33 69.73 3e1f n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3e1f s GLN 23 N -1.29 0.72 -0.22 -0.78 1.03 -1.26 -1.26 119.66 116.60 3e1f s GLN 23 Ca 0.06 -0.33 -0.04 0.00 0.04 0.00 0.00 55.36 55.10 3e1f s GLN 23 Cb 0.07 0.29 0.12 0.00 0.03 0.00 0.00 33.01 33.52 3e1f s GLN 23 CO 0.23 -0.32 0.35 -0.51 -2.54 0.00 0.00 175.29 172.50 3e1f s LEU 24 N -2.59 -0.53 -0.62 2.60 1.43 -0.18 -4.87 118.68 113.92 3e1f s LEU 24 Ca 0.09 0.29 0.00 0.00 -1.03 0.00 0.00 54.13 53.48 3e1f s LEU 24 Cb -0.00 1.01 0.00 0.00 0.03 0.00 0.00 46.19 47.22 3e1f s LEU 24 CO -0.05 -0.29 0.00 0.59 0.23 0.00 0.00 176.35 176.83 3e1f n ASN 25 N 5.36 -4.02 -4.75 2.29 3.02 -1.26 -1.18 115.26 114.73 3e1f n ASN 25 Ca -0.05 0.14 -0.40 0.00 -0.03 0.00 0.00 54.58 54.25 3e1f n ASN 25 Cb 0.50 -2.03 -0.06 0.00 -0.61 0.00 0.00 39.78 37.58 3e1f n ASN 25 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3e1f s ARG 26 N -2.16 4.80 0.80 3.52 3.52 -1.26 -4.62 118.95 123.55 3e1f s ARG 26 Ca 0.00 1.46 -0.12 0.00 -0.13 0.00 0.00 55.73 56.95 3e1f s ARG 26 Cb 0.00 -3.31 0.07 0.00 -1.56 0.00 0.00 34.95 30.15 3e1f s ARG 26 CO 0.00 0.44 1.10 -0.51 -0.81 0.00 0.00 175.30 175.52 3e1f s LEU 27 N -0.86 2.59 0.50 -0.88 1.43 0.16 -4.99 118.68 116.63 3e1f s LEU 27 Ca 0.42 1.28 -0.22 0.00 -1.03 0.00 0.00 54.13 54.57 3e1f s LEU 27 Cb -0.25 -3.88 -0.06 0.00 0.03 0.00 0.00 46.19 42.02 3e1f s LEU 27 CO 0.31 -1.96 1.24 0.00 0.23 0.00 0.00 176.35 176.17 3e1f s ALA 28 N -3.18 2.90 0.80 4.21 0.00 -1.26 -4.65 121.76 120.59 3e1f s ALA 28 Ca 0.61 1.10 -0.11 0.00 0.00 0.00 0.00 51.96 53.56 3e1f s ALA 28 Cb -0.14 -3.46 0.07 0.00 0.00 0.00 0.00 23.12 19.59 3e1f s ALA 28 CO 0.54 -0.95 1.09 0.00 0.00 0.00 0.00 175.76 176.44 3e1f s ALA 29 N -1.45 2.08 -0.17 0.00 0.00 -1.26 -5.00 121.76 115.96 3e1f s ALA 29 Ca 0.67 0.21 -0.35 0.00 0.00 0.00 0.00 51.96 52.49 3e1f s ALA 29 Cb -0.33 -3.26 0.14 0.00 0.00 0.00 0.00 23.12 19.67 3e1f s ALA 29 CO 0.40 -1.92 1.31 -3.38 0.00 0.00 0.00 175.76 172.16 3e1f s HIS 30 N -2.90 -0.06 0.96 0.00 -3.43 -1.26 -4.86 115.29 103.74 3e1f s HIS 30 Ca 0.62 0.02 -0.11 0.00 -0.80 0.00 0.00 55.06 54.78 3e1f s HIS 30 Cb -0.17 0.52 0.14 0.00 -1.43 0.00 0.00 32.58 31.63 3e1f s HIS 30 CO 0.56 -0.14 0.95 -2.30 -2.00 0.00 0.00 174.74 171.81 3e1f n PRO 31 N -0.20 -0.70 -1.68 -0.38 -0.02 -1.09 -4.40 135.00 126.53 3e1f n PRO 31 Ca -0.01 -0.15 -0.47 0.00 -2.02 0.00 0.00 63.50 60.85 3e1f n PRO 31 Cb 0.59 -2.23 -0.04 0.00 -0.02 0.00 0.00 33.50 31.80 3e1f n PRO 31 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3e1f n PRO 32 N -3.76 2.21 -4.21 0.52 -0.02 -1.26 -5.00 135.00 123.48 3e1f n PRO 32 Ca 0.10 0.80 -0.23 0.00 -2.02 0.00 0.00 63.50 62.15 3e1f n PRO 32 Cb 0.53 -2.61 -0.06 0.00 -0.02 0.00 0.00 33.50 31.33 3e1f n PRO 32 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3e1f s PHE 33 N 2.40 2.77 0.00 6.00 0.08 -1.26 -4.80 117.98 123.16 3e1f s PHE 33 Ca 0.85 -0.25 0.00 0.00 0.12 0.00 0.00 56.93 57.65 3e1f s PHE 33 Cb -0.67 -1.35 0.00 0.00 -0.57 0.00 0.00 43.02 40.43 3e1f s PHE 33 CO 0.44 0.53 0.00 0.00 -0.10 0.00 0.00 175.22 176.09 3e1f n ALA 34 N -1.01 0.00 -3.77 5.36 0.00 -1.26 -5.06 120.51 114.76 3e1f n ALA 34 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.03 3e1f n ALA 34 Cb 0.59 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.08 3e1f n ALA 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3e1f n SER 35 N 0.00 -5.09 -4.77 0.00 2.88 -1.26 -4.36 113.62 101.02 3e1f n SER 35 Ca 0.00 -1.08 -0.36 0.00 -1.33 0.00 0.00 58.87 56.11 3e1f n SER 35 Cb 0.00 -2.96 0.00 0.00 -0.75 0.00 0.00 64.21 60.50 3e1f n SER 35 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 3e1f s TRP 36 N -3.46 2.70 -0.48 0.66 0.51 -0.70 -4.57 118.94 113.60 3e1f s TRP 36 Ca 0.47 1.53 0.12 0.00 -2.12 0.00 0.00 56.10 56.10 3e1f s TRP 36 Cb -0.19 -3.35 0.33 0.00 -0.81 0.00 0.00 33.47 29.45 3e1f s TRP 36 CO 0.89 -1.64 1.26 0.54 -0.51 0.00 0.00 176.95 177.49 3e1f n ARG 37 N -1.06 2.76 -3.60 4.98 5.12 -1.26 -1.30 116.66 122.30 3e1f n ARG 37 Ca 0.10 -2.26 -0.17 0.00 -1.93 0.00 0.00 57.85 53.59 3e1f n ARG 37 Cb 0.50 -1.43 -0.14 0.00 -1.16 0.00 0.00 32.46 30.23 3e1f n ARG 37 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 3e1f s ASN 38 N -1.46 0.97 0.46 0.55 3.04 -1.26 -4.94 114.94 112.30 3e1f s ASN 38 Ca 0.26 0.14 0.16 0.00 0.04 0.00 0.00 52.86 53.47 3e1f s ASN 38 Cb 0.19 0.37 1.13 0.00 -1.54 0.00 0.00 41.25 41.40 3e1f s ASN 38 CO 0.10 -0.28 2.00 0.28 -3.04 0.00 0.00 177.10 176.16 3e1f h SER 39 N 8.33 0.26 -0.34 -4.21 0.02 -1.95 -1.62 113.55 114.04 3e1f h SER 39 Ca -0.15 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.70 3e1f h SER 39 Cb 1.13 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 3e1f h SER 39 CO 0.20 0.16 -0.17 -0.08 -1.14 0.00 0.00 176.83 175.79 3e1f h GLU 40 N 0.29 0.80 -0.52 3.45 4.57 -1.99 -1.04 114.58 120.13 3e1f h GLU 40 Ca 0.24 -0.30 -0.08 0.00 -1.18 0.00 0.00 59.36 58.04 3e1f h GLU 40 Cb 0.58 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.10 3e1f h GLU 40 CO -0.05 0.92 0.00 0.93 -1.18 0.00 0.00 179.01 179.63 3e1f h GLU 41 N 0.71 0.89 0.05 1.92 4.39 -1.69 -2.34 114.58 118.51 3e1f h GLU 41 Ca 0.11 -0.25 -0.00 0.00 0.34 0.00 0.00 59.36 59.55 3e1f h GLU 41 Cb 0.68 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 3e1f h GLU 41 CO 0.05 0.88 -0.02 0.00 -1.16 0.00 0.00 179.01 178.76 3e1f h ALA 42 N 1.17 -0.07 -0.86 3.43 0.00 -1.11 -1.37 119.26 120.46 3e1f h ALA 42 Ca 0.16 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3e1f h ALA 42 Cb 0.49 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 3e1f h ALA 42 CO 0.02 -0.44 0.53 -0.09 0.00 0.00 0.00 179.25 179.28 3e1f h ARG 43 N -0.27 0.94 -0.10 0.00 2.43 -1.11 -1.75 114.38 114.53 3e1f h ARG 43 Ca -0.01 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3e1f h ARG 43 Cb 0.24 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 3e1f h ARG 43 CO 0.01 0.62 0.00 0.25 -1.51 0.00 0.00 179.97 179.34 3e1f n THR 44 N -4.62 0.12 -3.97 0.20 -2.24 -0.89 -4.93 114.28 97.94 3e1f n THR 44 Ca 0.13 -0.24 -0.30 0.00 -2.27 0.00 0.00 64.05 61.37 3e1f n THR 44 Cb 0.18 0.20 0.01 0.00 -2.10 0.00 0.00 70.33 68.62 3e1f n THR 44 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3e1f n ASP 45 N -0.02 -3.25 -4.92 3.42 2.03 -0.63 -4.97 116.55 108.23 3e1f n ASP 45 Ca 0.17 -0.88 -0.27 0.00 0.52 0.00 0.00 54.79 54.33 3e1f n ASP 45 Cb 0.26 -3.49 -0.02 0.00 -0.72 0.00 0.00 41.12 37.15 3e1f n ASP 45 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3e1f s ARG 46 N -6.60 3.57 0.69 -0.67 0.52 -0.61 -5.04 118.95 110.81 3e1f s ARG 46 Ca 0.49 -0.03 -0.17 0.00 -0.52 0.00 0.00 55.73 55.50 3e1f s ARG 46 Cb -0.26 -2.58 -0.13 0.00 0.52 0.00 0.00 34.95 32.51 3e1f s ARG 46 CO 0.86 0.09 -0.17 -2.30 0.02 0.00 0.00 175.30 173.80 3e1f n PRO 47 N -1.53 0.07 -5.17 3.54 -0.02 -1.26 -4.79 135.00 125.84 3e1f n PRO 47 Ca -0.02 0.03 -0.32 0.00 -2.02 0.00 0.00 63.50 61.17 3e1f n PRO 47 Cb 0.55 -1.19 -0.16 0.00 -0.02 0.00 0.00 33.50 32.68 3e1f n PRO 47 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3e1f s SER 48 N -1.10 3.25 0.48 2.55 0.15 -1.26 -5.00 113.70 112.76 3e1f s SER 48 Ca 0.54 -0.48 0.22 0.00 0.70 0.00 0.00 55.95 56.93 3e1f s SER 48 Cb -0.38 -1.10 1.21 0.00 -1.71 0.00 0.00 66.02 64.05 3e1f s SER 48 CO 0.69 0.22 2.00 1.56 1.20 0.00 0.00 173.24 178.91 3e1f h GLN 49 N 6.28 0.00 -0.28 5.44 1.08 -1.90 -2.29 115.11 123.44 3e1f h GLN 49 Ca -0.28 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.92 3e1f h GLN 49 Cb 1.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.63 3e1f h GLN 49 CO 0.48 0.18 0.00 1.04 -0.95 0.00 0.00 178.83 179.58 3e1f n GLN 50 N -3.82 1.59 -3.64 1.46 3.00 -1.26 -4.57 117.38 110.14 3e1f n GLN 50 Ca -0.02 -0.85 -0.29 0.00 -0.01 0.00 0.00 57.00 55.83 3e1f n GLN 50 Cb 0.28 -1.22 -0.13 0.00 0.00 0.00 0.00 30.24 29.17 3e1f n GLN 50 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 3e1f s LEU 51 N -0.99 2.13 0.19 1.08 2.96 -0.86 -1.17 118.68 122.02 3e1f s LEU 51 Ca 0.16 -2.38 -0.08 0.00 -0.22 0.00 0.00 54.13 51.61 3e1f s LEU 51 Cb 0.08 -0.83 -0.07 0.00 0.50 0.00 0.00 46.19 45.88 3e1f s LEU 51 CO 0.10 -0.30 0.48 -0.13 -1.32 0.00 0.00 176.35 175.19 3e1f s ARG 52 N 0.71 3.74 -0.16 1.98 0.52 -0.05 -4.75 118.95 120.94 3e1f s ARG 52 Ca 0.17 0.14 -0.07 0.00 -0.52 0.00 0.00 55.73 55.45 3e1f s ARG 52 Cb -0.23 -2.74 -0.04 0.00 0.52 0.00 0.00 34.95 32.45 3e1f s ARG 52 CO -0.02 0.39 0.09 0.45 0.02 0.00 0.00 175.30 176.22 3e1f s SER 53 N -2.35 5.92 -0.27 0.23 0.15 -1.26 -0.43 113.70 115.70 3e1f s SER 53 Ca 0.44 0.23 0.12 0.00 0.70 0.00 0.00 55.95 57.44 3e1f s SER 53 Cb -0.12 -1.96 0.75 0.00 -1.71 0.00 0.00 66.02 62.99 3e1f s SER 53 CO 0.22 0.26 1.73 0.18 1.20 0.00 0.00 173.24 176.84 3e1f n LEU 54 N 2.95 5.66 -4.81 3.45 4.77 0.82 -4.94 117.00 124.89 3e1f n LEU 54 Ca -0.18 -3.09 -0.33 0.00 -0.03 0.00 0.00 56.01 52.39 3e1f n LEU 54 Cb 0.53 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3e1f n LEU 54 CO 0.34 0.73 0.71 0.20 -1.33 0.00 0.00 177.39 178.04 3e1f s ASN 55 N -1.07 5.92 0.00 -1.43 -0.87 -1.25 -4.83 114.94 111.40 3e1f s ASN 55 Ca 0.53 1.79 0.00 0.00 -1.57 0.00 0.00 52.86 53.61 3e1f s ASN 55 Cb 0.42 -2.53 0.00 0.00 -0.02 0.00 0.00 41.25 39.12 3e1f s ASN 55 CO 0.14 -1.07 0.00 0.61 -2.57 0.00 0.00 177.10 174.21 3e1f n GLY 56 N -1.04 0.46 3.68 0.66 0.00 -0.74 -5.00 105.19 103.21 3e1f n GLY 56 Ca 0.08 -1.29 -0.38 0.00 0.00 0.00 0.00 46.02 44.43 3e1f n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3e1f s GLU 57 N -2.00 4.21 0.44 1.61 2.02 -1.26 -0.07 118.70 123.65 3e1f s GLU 57 Ca 0.00 0.31 0.03 0.00 0.02 0.00 0.00 54.97 55.34 3e1f s GLU 57 Cb 0.00 -3.53 -0.04 0.00 0.10 0.00 0.00 34.13 30.66 3e1f s GLU 57 CO 0.00 -0.04 0.03 -1.58 0.02 0.00 0.00 175.26 173.69 3e1f s TRP 58 N 1.30 2.04 -0.18 1.61 0.52 0.16 -4.92 118.94 119.47 3e1f s TRP 58 Ca 0.22 -0.93 -0.07 0.00 0.02 0.00 0.00 56.10 55.33 3e1f s TRP 58 Cb -0.15 -1.54 -0.04 0.00 -1.15 0.00 0.00 33.47 30.59 3e1f s TRP 58 CO 0.09 0.18 0.06 1.03 0.02 0.00 0.00 176.95 178.32 3e1f s ARG 59 N -3.81 3.96 0.01 4.98 1.81 0.22 -0.73 118.95 125.41 3e1f s ARG 59 Ca 0.20 -0.35 0.03 0.00 -1.72 0.00 0.00 55.73 53.89 3e1f s ARG 59 Cb 0.05 -3.21 -0.01 0.00 -0.45 0.00 0.00 34.95 31.33 3e1f s ARG 59 CO 0.10 0.26 -0.08 0.12 -0.68 0.00 0.00 175.30 175.02 3e1f s PHE 60 N 0.39 0.75 -0.09 -0.53 5.36 0.56 -0.35 117.98 124.08 3e1f s PHE 60 Ca 0.03 -0.22 -0.05 0.00 -0.96 0.00 0.00 56.93 55.72 3e1f s PHE 60 Cb -0.12 -0.47 0.04 0.00 -0.34 0.00 0.00 43.02 42.13 3e1f s PHE 60 CO 0.00 -0.02 0.21 0.00 -1.46 0.00 0.00 175.22 173.96 3e1f s ALA 61 N -0.48 -0.49 0.14 11.12 0.00 -0.90 -0.89 121.76 130.26 3e1f s ALA 61 Ca 0.00 0.80 -0.09 0.00 0.00 0.00 0.00 51.96 52.68 3e1f s ALA 61 Cb -0.05 -0.50 -0.06 0.00 0.00 0.00 0.00 23.12 22.51 3e1f s ALA 61 CO 0.00 -0.16 0.44 -0.46 0.00 0.00 0.00 175.76 175.58 3e1f s TRP 62 N 0.86 3.52 0.02 0.00 -0.00 -1.26 -0.92 118.94 121.17 3e1f s TRP 62 Ca -0.06 0.77 -0.02 0.00 -0.00 0.00 0.00 56.10 56.79 3e1f s TRP 62 Cb -0.08 -2.16 -0.02 0.00 -0.00 0.00 0.00 33.47 31.22 3e1f s TRP 62 CO -0.05 0.43 0.00 -0.06 -0.00 0.00 0.00 176.95 177.27 3e1f s PHE 63 N -1.57 0.27 -0.12 5.86 0.08 -0.54 -4.97 117.98 116.98 3e1f s PHE 63 Ca 0.39 -0.57 0.30 0.00 0.12 0.00 0.00 56.93 57.17 3e1f s PHE 63 Cb -0.13 -0.20 1.07 0.00 -0.57 0.00 0.00 43.02 43.19 3e1f s PHE 63 CO 0.21 -0.25 1.86 -1.00 -0.10 0.00 0.00 175.22 175.94 3e1f h PRO 64 N 4.25 0.00 -2.03 0.24 0.13 -1.86 -0.81 132.00 131.92 3e1f h PRO 64 Ca -0.32 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.94 3e1f h PRO 64 Cb 1.19 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.15 3e1f h PRO 64 CO 0.46 0.00 0.55 0.00 -0.23 0.00 0.00 178.00 178.78 3e1f s ALA 65 N -3.50 -1.88 0.44 -0.56 0.00 -1.21 -1.85 121.76 113.21 3e1f s ALA 65 Ca 0.03 1.21 0.10 0.00 0.00 0.00 0.00 51.96 53.30 3e1f s ALA 65 Cb 0.08 0.14 0.99 0.00 0.00 0.00 0.00 23.12 24.33 3e1f s ALA 65 CO 0.56 -0.61 2.08 -1.00 0.00 0.00 0.00 175.76 176.79 3e1f h PRO 66 N 2.10 0.34 0.00 0.00 0.13 -1.87 -1.50 132.00 131.20 3e1f h PRO 66 Ca -0.19 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3e1f h PRO 66 Cb 1.22 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3e1f h PRO 66 CO 0.30 0.24 0.00 0.39 -0.23 0.00 0.00 178.00 178.70 3e1f n GLU 67 N -4.48 0.03 0.00 0.86 4.71 -1.26 -1.14 120.64 119.35 3e1f n GLU 67 Ca 0.01 0.34 0.12 0.00 -0.01 0.00 0.00 57.16 57.61 3e1f n GLU 67 Cb 0.08 -1.50 0.08 0.00 -1.01 0.00 0.00 31.44 29.10 3e1f n GLU 67 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3e1f n ALA 68 N -1.38 2.92 -2.52 0.62 0.00 -0.56 -4.90 120.51 114.69 3e1f n ALA 68 Ca 0.01 -0.65 -0.43 0.00 0.00 0.00 0.00 53.44 52.37 3e1f n ALA 68 Cb 0.03 -0.83 -0.02 0.00 0.00 0.00 0.00 19.45 18.63 3e1f n ALA 68 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3e1f s VAL 69 N -2.20 4.17 0.19 0.00 1.01 -0.29 -4.99 120.40 118.29 3e1f s VAL 69 Ca 0.25 1.25 -0.31 0.00 0.00 0.00 0.00 61.98 63.16 3e1f s VAL 69 Cb 0.19 -4.41 -0.11 0.00 0.00 0.00 0.00 36.38 32.05 3e1f s VAL 69 CO 0.42 -0.79 1.59 -2.16 0.00 0.00 0.00 175.10 174.16 3e1f s PRO 70 N 4.40 4.20 0.24 2.72 0.04 -1.26 -4.92 135.00 140.41 3e1f s PRO 70 Ca 0.52 2.42 -0.06 0.00 0.04 0.00 0.00 61.00 63.92 3e1f s PRO 70 Cb -0.11 -3.12 0.44 0.00 0.04 0.00 0.00 34.50 31.75 3e1f s PRO 70 CO 0.28 -0.62 1.67 1.49 0.04 0.00 0.00 177.00 179.86 3e1f h GLU 71 N 6.49 0.21 -0.96 4.56 4.57 -2.00 -1.21 114.58 126.24 3e1f h GLU 71 Ca -0.43 -0.01 0.40 0.00 -1.18 0.00 0.00 59.36 58.13 3e1f h GLU 71 Cb 1.21 -0.05 -0.17 0.00 -0.16 0.00 0.00 28.75 29.57 3e1f h GLU 71 CO 0.90 0.14 0.49 -1.13 -1.18 0.00 0.00 179.01 178.23 3e1f n SER 72 N -5.21 0.31 -0.32 1.04 3.41 -1.26 0.10 113.62 111.70 3e1f n SER 72 Ca 0.13 1.60 0.18 0.00 -0.26 0.00 0.00 58.87 60.53 3e1f n SER 72 Cb 0.45 -0.77 0.44 0.00 -0.26 0.00 0.00 64.21 64.07 3e1f n SER 72 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 3e1f h TRP 73 N 0.00 0.80 -0.36 7.33 7.01 -1.27 0.77 115.95 130.22 3e1f h TRP 73 Ca 0.81 0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.87 3e1f h TRP 73 Cb 2.12 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 28.92 3e1f h TRP 73 CO -0.04 0.14 0.24 -0.07 -2.79 0.00 0.00 178.44 175.92 3e1f h LEU 74 N 0.53 0.30 0.00 0.65 3.38 -0.52 -3.29 115.31 116.37 3e1f h LEU 74 Ca 0.57 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.47 3e1f h LEU 74 Cb 1.21 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 3e1f h LEU 74 CO -0.31 0.21 -1.25 -0.62 0.09 0.00 0.00 178.44 176.55 3e1f n GLU 75 N -4.48 2.88 -4.85 1.13 1.02 -0.34 -2.97 120.64 113.02 3e1f n GLU 75 Ca 0.04 -0.01 -0.27 0.00 -0.02 0.00 0.00 57.16 56.90 3e1f n GLU 75 Cb 0.17 -1.10 -0.17 0.00 -0.02 0.00 0.00 31.44 30.33 3e1f n GLU 75 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3e1f n ASP 77 N 3.53 3.22 -4.73 0.00 2.03 -1.26 -3.61 116.55 115.74 3e1f n ASP 77 Ca -0.20 1.16 -0.41 0.00 0.52 0.00 0.00 54.79 55.85 3e1f n ASP 77 Cb 0.52 -1.51 -0.04 0.00 -0.72 0.00 0.00 41.12 39.38 3e1f n ASP 77 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3e1f s LEU 78 N -0.37 4.46 0.24 -2.67 1.43 -1.26 -4.91 118.68 115.59 3e1f s LEU 78 Ca 0.64 1.98 0.09 0.00 -1.03 0.00 0.00 54.13 55.81 3e1f s LEU 78 Cb -0.57 -3.59 0.22 0.00 0.03 0.00 0.00 46.19 42.28 3e1f s LEU 78 CO 0.52 -0.23 1.53 -0.65 0.23 0.00 0.00 176.35 177.75 3e1f h PRO 79 N 5.62 0.02 0.00 1.29 0.11 -2.02 -2.76 132.00 134.25 3e1f h PRO 79 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3e1f h PRO 79 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3e1f h PRO 79 CO 0.74 0.72 0.00 -0.85 -0.21 0.00 0.00 178.00 178.39 3e1f n GLU 80 N -3.71 0.10 -1.13 1.05 0.28 -1.26 -4.76 120.64 111.22 3e1f n GLU 80 Ca -0.01 0.48 -0.29 0.00 -0.16 0.00 0.00 57.16 57.18 3e1f n GLU 80 Cb 0.69 -1.76 0.16 0.00 1.43 0.00 0.00 31.44 31.96 3e1f n GLU 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3e1f s ALA 81 N -3.27 1.16 0.29 -1.84 0.00 -1.04 -4.98 121.76 112.07 3e1f s ALA 81 Ca 0.02 -0.16 0.09 0.00 0.00 0.00 0.00 51.96 51.91 3e1f s ALA 81 Cb 0.06 -3.17 -0.06 0.00 0.00 0.00 0.00 23.12 19.95 3e1f s ALA 81 CO 0.23 -2.67 -0.13 -0.51 0.00 0.00 0.00 175.76 172.68 3e1f s ASP 82 N -3.34 3.27 -0.26 0.00 1.11 -0.07 -4.92 116.67 112.45 3e1f s ASP 82 Ca 0.65 -1.12 -0.10 0.00 0.18 0.00 0.00 52.55 52.16 3e1f s ASP 82 Cb -0.19 -0.26 -0.04 0.00 1.07 0.00 0.00 42.92 43.50 3e1f s ASP 82 CO 0.58 -0.16 0.14 -0.89 1.18 0.00 0.00 175.17 176.02 3e1f s THR 83 N -2.73 4.96 0.25 -1.27 2.01 -1.26 -0.32 115.64 117.27 3e1f s THR 83 Ca 0.29 0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.38 3e1f s THR 83 Cb -0.00 -3.34 -0.05 0.00 0.01 0.00 0.00 72.50 69.12 3e1f s THR 83 CO 0.13 0.29 -0.00 0.68 -0.69 0.00 0.00 174.62 175.03 3e1f s VAL 84 N 1.61 1.12 0.14 3.82 -7.23 0.10 -4.92 120.40 115.04 3e1f s VAL 84 Ca 0.07 -2.04 -0.18 0.00 -1.81 0.00 0.00 61.98 58.01 3e1f s VAL 84 Cb -0.15 -2.40 -0.07 0.00 0.56 0.00 0.00 36.38 34.32 3e1f s VAL 84 CO 0.08 -0.29 0.62 -0.69 -0.31 0.00 0.00 175.10 174.50 3e1f s VAL 85 N -3.36 4.70 -0.01 1.32 1.01 -1.26 0.37 120.40 123.17 3e1f s VAL 85 Ca 0.29 1.16 0.04 0.00 0.00 0.00 0.00 61.98 63.48 3e1f s VAL 85 Cb 0.06 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 3e1f s VAL 85 CO 0.10 0.38 -0.15 -0.69 0.00 0.00 0.00 175.10 174.74 3e1f s VAL 86 N -1.32 1.16 0.81 2.92 1.01 0.90 -4.19 120.40 121.69 3e1f s VAL 86 Ca 0.36 -0.63 -0.11 0.00 0.00 0.00 0.00 61.98 61.59 3e1f s VAL 86 Cb -0.18 -0.97 0.08 0.00 0.00 0.00 0.00 36.38 35.31 3e1f s VAL 86 CO 0.20 0.33 1.09 -2.16 0.00 0.00 0.00 175.10 174.56 3e1f s PRO 87 N -0.33 1.95 0.00 2.72 0.04 -1.26 -1.80 135.00 136.32 3e1f s PRO 87 Ca 0.05 0.73 0.00 0.00 0.04 0.00 0.00 61.00 61.82 3e1f s PRO 87 Cb -0.06 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.59 3e1f s PRO 87 CO -0.00 -1.74 0.00 -1.13 0.04 0.00 0.00 177.00 174.17 3e1f n SER 88 N -3.53 0.00 -4.32 6.66 3.41 0.24 -4.92 113.62 111.17 3e1f n SER 88 Ca 0.07 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.34 3e1f n SER 88 Cb 0.56 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.37 3e1f n SER 88 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3e1f s ASN 89 N 0.00 4.18 0.53 4.04 -0.87 -1.26 -3.37 114.94 118.20 3e1f s ASN 89 Ca 0.00 -0.38 0.34 0.00 -1.57 0.00 0.00 52.86 51.25 3e1f s ASN 89 Cb 0.00 -1.70 1.86 0.00 -0.02 0.00 0.00 41.25 41.40 3e1f s ASN 89 CO 0.00 0.03 2.05 4.11 -2.57 0.00 0.00 177.10 180.72 3e1f h TRP 90 N 7.73 0.00 -0.48 2.20 0.09 -1.93 0.20 115.95 123.75 3e1f h TRP 90 Ca -0.38 0.00 -0.08 0.00 0.09 0.00 0.00 58.89 58.52 3e1f h TRP 90 Cb 1.17 0.00 -0.02 0.00 0.08 0.00 0.00 29.16 30.39 3e1f h TRP 90 CO 0.56 0.00 0.00 1.96 0.09 0.00 0.00 178.44 181.05 3e1f h GLN 91 N 0.00 0.85 0.00 0.12 7.50 -1.81 -1.68 115.11 120.09 3e1f h GLN 91 Ca 0.00 -0.27 0.00 0.00 0.50 0.00 0.00 58.65 58.88 3e1f h GLN 91 Cb 0.08 -0.08 0.00 0.00 0.05 0.00 0.00 27.48 27.53 3e1f h GLN 91 CO 0.00 0.90 0.00 0.52 -1.50 0.00 0.00 178.83 178.75 3e1f h MET 92 N 0.71 0.00 -0.02 1.46 2.86 -0.88 0.13 114.93 119.19 3e1f h MET 92 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 3e1f h MET 92 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 3e1f h MET 92 CO 0.02 0.00 -0.26 0.72 1.06 0.00 0.00 176.91 178.45 3e1f n HIS 93 N -2.39 0.00 -0.80 -0.22 8.25 -0.68 -4.96 115.22 114.41 3e1f n HIS 93 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3e1f n HIS 93 Cb 0.12 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.20 3e1f n HIS 93 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3e1f n GLY 94 N 1.35 0.60 0.24 -1.41 0.00 0.45 -4.94 105.19 101.48 3e1f n GLY 94 Ca 0.12 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.25 3e1f n GLY 94 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3e1f h TYR 95 N 0.00 0.00 -2.03 1.61 0.05 -1.61 -3.46 116.97 111.53 3e1f h TYR 95 Ca 0.00 0.00 0.20 0.00 0.05 0.00 0.00 58.73 58.98 3e1f h TYR 95 Cb 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 36.73 37.62 3e1f h TYR 95 CO 0.00 0.17 0.60 0.16 -1.05 0.00 0.00 178.16 178.04 3e1f s ASP 96 N -6.11 -0.19 0.26 3.88 1.47 -1.26 -5.04 116.67 109.67 3e1f s ASP 96 Ca -0.01 -0.20 -0.25 0.00 1.18 0.00 0.00 52.55 53.27 3e1f s ASP 96 Cb 0.11 0.35 -0.09 0.00 -0.34 0.00 0.00 42.92 42.95 3e1f s ASP 96 CO 0.60 -0.62 0.86 0.00 0.68 0.00 0.00 175.17 176.69 3e1f s ALA 97 N -2.96 3.32 0.13 2.11 0.00 -1.26 -4.31 121.76 118.80 3e1f s ALA 97 Ca 0.11 0.42 -0.27 0.00 0.00 0.00 0.00 51.96 52.21 3e1f s ALA 97 Cb 0.00 -3.05 -0.07 0.00 0.00 0.00 0.00 23.12 20.00 3e1f s ALA 97 CO -0.03 0.24 0.85 -1.25 0.00 0.00 0.00 175.76 175.57 3e1f s PRO 98 N -1.75 4.63 -0.11 0.00 0.04 -1.26 -4.98 135.00 131.57 3e1f s PRO 98 Ca 0.44 1.27 -0.04 0.00 0.04 0.00 0.00 61.00 62.71 3e1f s PRO 98 Cb -0.20 -3.32 -0.04 0.00 0.04 0.00 0.00 34.50 30.98 3e1f s PRO 98 CO 0.25 0.39 0.06 0.42 0.04 0.00 0.00 177.00 178.15 3e1f s ILE 99 N -0.56 4.77 -0.32 0.56 1.01 -1.09 -4.64 121.20 120.94 3e1f s ILE 99 Ca 0.40 -0.07 0.02 0.00 0.00 0.00 0.00 60.65 61.00 3e1f s ILE 99 Cb -0.23 -3.05 0.08 0.00 0.01 0.00 0.00 42.46 39.27 3e1f s ILE 99 CO 0.27 0.60 0.01 -0.47 0.00 0.00 0.00 174.94 175.35 3e1f s TYR 100 N -0.83 3.49 -0.01 3.97 5.04 -1.26 0.14 117.35 127.89 3e1f s TYR 100 Ca 0.13 -2.50 0.02 0.00 -2.44 0.00 0.00 57.07 52.28 3e1f s TYR 100 Cb -0.12 -2.50 -0.00 0.00 0.35 0.00 0.00 41.96 39.69 3e1f s TYR 100 CO 0.03 -0.90 -0.07 -0.08 -1.34 0.00 0.00 175.55 173.18 3e1f s THR 101 N 1.06 0.61 0.00 4.34 -1.32 -1.26 -1.81 115.64 117.26 3e1f s THR 101 Ca 0.01 -0.31 0.00 0.00 -1.21 0.00 0.00 61.69 60.18 3e1f s THR 101 Cb -0.20 -0.53 0.00 0.00 -1.51 0.00 0.00 72.50 70.26 3e1f s THR 101 CO -0.05 0.18 0.02 -3.20 -2.21 0.00 0.00 174.62 169.36 3e1f n ASN 102 N 3.03 0.00 -0.08 8.08 2.85 -1.26 -4.14 115.26 123.75 3e1f n ASN 102 Ca -0.15 0.02 -0.08 0.00 -0.11 0.00 0.00 54.58 54.27 3e1f n ASN 102 Cb 0.56 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.55 3e1f n ASN 102 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 3e1f h VAL 103 N 0.00 0.21 -1.66 3.44 2.07 -1.93 -3.35 116.25 115.03 3e1f h VAL 103 Ca 0.00 -1.25 -0.69 0.00 0.82 0.00 0.00 66.70 65.57 3e1f h VAL 103 Cb 0.00 0.49 0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3e1f h VAL 103 CO 0.00 0.07 1.02 0.41 0.02 0.00 0.00 177.57 179.09 3e1f n THR 104 N -4.59 0.39 -1.53 2.57 -1.04 -1.26 -3.96 114.28 104.86 3e1f n THR 104 Ca -0.12 -0.09 -0.41 0.00 -2.04 0.00 0.00 64.05 61.40 3e1f n THR 104 Cb 0.33 -1.48 0.02 0.00 -1.82 0.00 0.00 70.33 67.38 3e1f n THR 104 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 3e1f n TYR 105 N 6.21 0.26 0.27 -1.42 4.01 -1.26 -4.86 117.16 120.37 3e1f n TYR 105 Ca 0.27 0.55 0.17 0.00 -0.16 0.00 0.00 57.90 58.73 3e1f n TYR 105 Cb 0.19 -2.09 0.63 0.00 -0.31 0.00 0.00 39.34 37.76 3e1f n TYR 105 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3e1f h PRO 106 N 0.99 0.00 0.00 -0.72 0.13 -1.94 -3.45 132.00 127.01 3e1f h PRO 106 Ca -0.43 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.13 3e1f h PRO 106 Cb 1.37 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.42 3e1f h PRO 106 CO 0.53 0.00 -0.36 0.44 -0.23 0.00 0.00 178.00 178.38 3e1f n ILE 107 N -3.09 0.00 -2.72 -3.56 -5.35 -1.26 -5.01 119.36 98.37 3e1f n ILE 107 Ca 0.01 -2.10 -0.42 0.00 -0.27 0.00 0.00 62.75 59.97 3e1f n ILE 107 Cb 0.33 0.22 -0.03 0.00 -1.74 0.00 0.00 39.64 38.42 3e1f n ILE 107 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3e1f s THR 108 N -2.59 4.79 -0.57 7.28 2.01 -1.26 -4.97 115.64 120.33 3e1f s THR 108 Ca 0.12 2.05 -0.27 0.00 0.31 0.00 0.00 61.69 63.89 3e1f s THR 108 Cb -0.01 -4.32 0.00 0.00 0.01 0.00 0.00 72.50 68.19 3e1f s THR 108 CO 0.08 0.20 1.53 -0.69 -0.69 0.00 0.00 174.62 175.05 3e1f s VAL 109 N 0.77 3.66 -0.47 3.82 1.01 -1.26 -4.77 120.40 123.17 3e1f s VAL 109 Ca 0.51 0.52 0.05 0.00 0.00 0.00 0.00 61.98 63.06 3e1f s VAL 109 Cb -0.21 -4.31 0.27 0.00 0.00 0.00 0.00 36.38 32.13 3e1f s VAL 109 CO 0.28 -1.12 1.01 -3.20 0.00 0.00 0.00 175.10 172.07 3e1f n ASN 110 N 10.33 -2.57 -4.71 3.32 5.15 -1.26 -5.12 115.26 120.40 3e1f n ASN 110 Ca 0.14 -3.31 -0.42 0.00 -0.60 0.00 0.00 54.58 50.39 3e1f n ASN 110 Cb 0.50 1.79 0.00 0.00 -0.53 0.00 0.00 39.78 41.54 3e1f n ASN 110 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3e1f n PRO 111 N 1.16 2.10 -0.83 1.20 -0.04 -1.26 -0.68 135.00 136.64 3e1f n PRO 111 Ca 0.07 0.74 0.05 0.00 -0.04 0.00 0.00 63.50 64.32 3e1f n PRO 111 Cb 0.66 -2.38 0.36 0.00 -0.04 0.00 0.00 33.50 32.10 3e1f n PRO 111 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3e1f n PRO 112 N 0.34 4.40 -2.83 0.54 -0.04 -1.26 -5.11 135.00 131.04 3e1f n PRO 112 Ca 0.05 -2.85 -0.38 0.00 -0.04 0.00 0.00 63.50 60.28 3e1f n PRO 112 Cb 0.38 -2.19 -0.06 0.00 -0.04 0.00 0.00 33.50 31.58 3e1f n PRO 112 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3e1f s PHE 113 N -2.62 3.80 0.33 0.54 0.08 0.15 -4.29 117.98 115.96 3e1f s PHE 113 Ca 0.50 1.76 0.10 0.00 0.12 0.00 0.00 56.93 59.40 3e1f s PHE 113 Cb 0.38 -2.88 -0.06 0.00 -0.57 0.00 0.00 43.02 39.89 3e1f s PHE 113 CO 0.14 0.33 -0.09 0.14 -0.10 0.00 0.00 175.22 175.64 3e1f s VAL 114 N -1.43 2.37 0.41 -0.44 -7.23 -1.26 -4.54 120.40 108.28 3e1f s VAL 114 Ca 0.45 -2.19 -0.24 0.00 -1.81 0.00 0.00 61.98 58.19 3e1f s VAL 114 Cb -0.21 -2.63 -0.11 0.00 0.56 0.00 0.00 36.38 33.99 3e1f s VAL 114 CO 0.26 -0.23 0.92 -2.65 -0.31 0.00 0.00 175.10 173.08 3e1f n PRO 115 N -0.80 1.17 0.05 4.82 -0.02 -1.26 -4.88 135.00 134.08 3e1f n PRO 115 Ca -0.05 0.42 -0.02 0.00 -2.02 0.00 0.00 63.50 61.83 3e1f n PRO 115 Cb 0.63 -1.91 0.23 0.00 -0.02 0.00 0.00 33.50 32.42 3e1f n PRO 115 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3e1f h THR 116 N 1.41 1.27 -2.13 3.45 1.35 -1.99 -3.30 112.91 112.97 3e1f h THR 116 Ca -0.43 -1.27 -0.69 0.00 -0.55 0.00 0.00 66.41 63.47 3e1f h THR 116 Cb 1.35 1.41 -0.16 0.00 -1.73 0.00 0.00 68.15 69.02 3e1f h THR 116 CO 0.56 0.40 1.07 -1.61 -0.25 0.00 0.00 175.52 175.69 3e1f s GLU 117 N -4.44 3.70 -0.39 4.72 2.02 -1.26 -4.76 118.70 118.30 3e1f s GLU 117 Ca -0.06 -1.84 -0.06 0.00 0.02 0.00 0.00 54.97 53.03 3e1f s GLU 117 Cb 0.14 -5.03 0.08 0.00 0.10 0.00 0.00 34.13 29.42 3e1f s GLU 117 CO 0.78 -1.85 0.19 1.21 0.02 0.00 0.00 175.26 175.61 3e1f s ASN 118 N 3.69 5.41 -0.33 -0.19 3.84 -0.77 -4.94 114.94 121.65 3e1f s ASN 118 Ca 0.37 -1.55 -0.38 0.00 0.21 0.00 0.00 52.86 51.51 3e1f s ASN 118 Cb -0.03 -1.90 -0.14 0.00 -0.55 0.00 0.00 41.25 38.63 3e1f s ASN 118 CO -0.07 -0.48 2.03 -2.65 -2.79 0.00 0.00 177.10 173.14 3e1f n PRO 119 N 4.79 1.03 -3.95 0.43 -0.02 -1.24 -3.29 135.00 132.75 3e1f n PRO 119 Ca -0.09 0.32 -0.35 0.00 -2.02 0.00 0.00 63.50 61.36 3e1f n PRO 119 Cb 0.43 -2.24 -0.13 0.00 -0.02 0.00 0.00 33.50 31.54 3e1f n PRO 119 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3e1f s THR 120 N 5.79 3.93 -0.26 3.45 2.01 -0.31 -1.35 115.64 128.90 3e1f s THR 120 Ca 1.06 -0.31 -0.13 0.00 0.31 0.00 0.00 61.69 62.63 3e1f s THR 120 Cb -1.00 -2.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 3e1f s THR 120 CO 0.57 0.40 0.27 -0.83 -0.69 0.00 0.00 174.62 174.34 3e1f s GLY 121 N 1.28 1.94 -0.51 4.40 0.00 0.11 -1.47 107.32 113.07 3e1f s GLY 121 Ca 0.04 -0.89 -0.16 0.00 0.00 0.00 0.00 44.72 43.71 3e1f s GLY 121 CO 0.01 0.72 0.47 0.00 0.00 0.00 0.00 173.10 174.31 3e1f s TYR 123 N 1.72 3.51 0.03 0.00 1.51 -0.13 -2.11 117.35 121.89 3e1f s TYR 123 Ca 0.04 0.46 -0.02 0.00 -1.01 0.00 0.00 57.07 56.54 3e1f s TYR 123 Cb -0.27 -1.91 -0.02 0.00 -0.11 0.00 0.00 41.96 39.65 3e1f s TYR 123 CO 0.05 0.68 0.00 -1.54 -1.11 0.00 0.00 175.55 173.64 3e1f s SER 124 N -1.04 0.29 -0.17 2.29 1.04 0.53 0.38 113.70 117.02 3e1f s SER 124 Ca 0.15 -0.64 -0.08 0.00 0.48 0.00 0.00 55.95 55.86 3e1f s SER 124 Cb -0.12 0.16 0.06 0.00 0.10 0.00 0.00 66.02 66.22 3e1f s SER 124 CO 0.04 -0.43 0.39 -0.22 0.98 0.00 0.00 173.24 174.00 3e1f s LEU 125 N -2.02 -0.15 -0.22 2.42 2.96 -0.55 -0.61 118.68 120.51 3e1f s LEU 125 Ca -0.07 0.86 -0.07 0.00 -0.22 0.00 0.00 54.13 54.63 3e1f s LEU 125 Cb -0.03 1.27 -0.03 0.00 0.50 0.00 0.00 46.19 47.90 3e1f s LEU 125 CO -0.04 -0.20 0.07 -0.89 -1.32 0.00 0.00 176.35 173.97 3e1f s THR 126 N 1.63 4.49 0.17 3.68 2.01 -1.26 -0.39 115.64 125.97 3e1f s THR 126 Ca -0.08 -0.12 -0.11 0.00 0.31 0.00 0.00 61.69 61.69 3e1f s THR 126 Cb -0.09 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.35 3e1f s THR 126 CO -0.12 0.38 0.35 0.72 -0.69 0.00 0.00 174.62 175.26 3e1f s PHE 127 N 1.15 0.24 0.19 4.92 -0.71 -0.59 -4.96 117.98 118.23 3e1f s PHE 127 Ca 0.04 -0.60 0.11 0.00 -1.04 0.00 0.00 56.93 55.44 3e1f s PHE 127 Cb -0.14 0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.70 3e1f s PHE 127 CO 0.03 -0.77 -0.24 0.54 -1.34 0.00 0.00 175.22 173.44 3e1f s ASN 128 N -2.94 3.40 -0.09 1.98 2.20 -1.26 0.04 114.94 118.28 3e1f s ASN 128 Ca 0.15 -0.87 0.01 0.00 -0.94 0.00 0.00 52.86 51.20 3e1f s ASN 128 Cb 0.02 -0.25 -0.02 0.00 -2.00 0.00 0.00 41.25 39.00 3e1f s ASN 128 CO -0.01 0.11 -0.11 -0.69 -2.94 0.00 0.00 177.10 173.46 3e1f s VAL 129 N -1.71 3.29 0.44 3.54 1.01 -0.93 -4.92 120.40 121.12 3e1f s VAL 129 Ca 0.21 -0.61 -0.25 0.00 0.00 0.00 0.00 61.98 61.33 3e1f s VAL 129 Cb -0.08 -2.35 -0.09 0.00 0.00 0.00 0.00 36.38 33.86 3e1f s VAL 129 CO 0.10 0.56 1.33 0.47 0.00 0.00 0.00 175.10 177.56 3e1f n ASP 130 N 2.87 2.84 0.24 3.32 8.00 -1.26 -2.55 116.55 130.01 3e1f n ASP 130 Ca -0.18 1.11 0.08 0.00 0.71 0.00 0.00 54.79 56.51 3e1f n ASP 130 Cb 0.53 -1.54 0.60 0.00 -0.02 0.00 0.00 41.12 40.68 3e1f n ASP 130 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3e1f h GLU 131 N 2.13 0.00 0.00 -1.24 4.81 -1.96 -2.50 114.58 115.82 3e1f h GLU 131 Ca -0.49 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.71 3e1f h GLU 131 Cb 1.29 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 3e1f h GLU 131 CO 0.60 0.14 -0.14 0.66 -0.73 0.00 0.00 179.01 179.55 3e1f h SER 132 N 0.00 0.00 1.31 1.04 4.64 -2.00 -2.31 113.55 116.23 3e1f h SER 132 Ca -0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 3e1f h SER 132 Cb 0.29 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 3e1f h SER 132 CO 0.02 0.14 -0.26 -0.50 -0.87 0.00 0.00 176.83 175.35 3e1f h TRP 133 N 0.00 0.00 -0.02 4.77 4.06 -1.75 -3.16 115.95 119.84 3e1f h TRP 133 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3e1f h TRP 133 Cb 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.58 3e1f h TRP 133 CO 0.00 0.26 -0.33 1.28 -3.56 0.00 0.00 178.44 176.09 3e1f n LEU 134 N -3.27 2.30 0.06 -4.49 4.77 -0.90 -4.10 117.00 111.37 3e1f n LEU 134 Ca 0.01 -0.82 0.12 0.00 -0.03 0.00 0.00 56.01 55.30 3e1f n LEU 134 Cb 0.54 -0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.84 3e1f n LEU 134 CO 0.35 0.41 0.42 0.00 -1.33 0.00 0.00 177.39 177.24 3e1f n GLN 135 N 0.37 0.26 -3.77 3.23 6.02 -1.05 -4.96 117.38 117.48 3e1f n GLN 135 Ca 0.11 0.09 -0.06 0.00 -0.01 0.00 0.00 57.00 57.13 3e1f n GLN 135 Cb 0.51 -1.68 -0.02 0.00 1.02 0.00 0.00 30.24 30.07 3e1f n GLN 135 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 3e1f s GLU 136 N -3.14 1.44 2.02 -1.09 -1.05 -1.25 -5.12 118.70 110.50 3e1f s GLU 136 Ca 0.07 -0.77 0.00 0.00 -0.15 0.00 0.00 54.97 54.12 3e1f s GLU 136 Cb 0.14 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.33 3e1f s GLU 136 CO 0.70 -0.66 0.00 0.41 0.95 0.00 0.00 175.26 176.67 3e1f n GLY 137 N -0.45 -0.46 3.51 -3.83 0.00 -1.26 -4.79 105.19 97.90 3e1f n GLY 137 Ca -0.06 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.74 3e1f n GLY 137 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3e1f s GLN 138 N 0.00 3.37 -0.23 1.61 0.74 0.18 -4.81 119.66 120.52 3e1f s GLN 138 Ca 0.00 -0.55 0.00 0.00 0.05 0.00 0.00 55.36 54.86 3e1f s GLN 138 Cb 0.00 -2.78 0.03 0.00 1.10 0.00 0.00 33.01 31.36 3e1f s GLN 138 CO 0.00 0.36 -0.12 0.99 -0.55 0.00 0.00 175.29 175.98 3e1f s THR 139 N 0.01 2.46 0.25 -0.34 2.01 -1.26 -0.15 115.64 118.61 3e1f s THR 139 Ca -0.00 -1.12 0.10 0.00 0.31 0.00 0.00 61.69 60.98 3e1f s THR 139 Cb -0.14 -2.22 -0.05 0.00 0.01 0.00 0.00 72.50 70.10 3e1f s THR 139 CO 0.03 0.27 -0.18 0.00 -0.69 0.00 0.00 174.62 174.05 3e1f s ARG 140 N 1.27 1.54 -0.02 4.92 1.70 0.00 -0.96 118.95 127.40 3e1f s ARG 140 Ca -0.00 -1.69 0.04 0.00 -0.47 0.00 0.00 55.73 53.61 3e1f s ARG 140 Cb -0.16 -1.51 -0.03 0.00 -0.57 0.00 0.00 34.95 32.68 3e1f s ARG 140 CO -0.07 0.27 -0.14 -1.50 -1.08 0.00 0.00 175.30 172.78 3e1f s ILE 141 N -2.68 3.09 -0.19 4.99 2.07 -0.27 -1.24 121.20 126.98 3e1f s ILE 141 Ca 0.27 -0.84 0.01 0.00 -1.41 0.00 0.00 60.65 58.67 3e1f s ILE 141 Cb -0.03 -2.26 0.04 0.00 0.13 0.00 0.00 42.46 40.34 3e1f s ILE 141 CO 0.12 0.50 -0.10 -0.63 -1.91 0.00 0.00 174.94 172.92 3e1f s ILE 142 N -0.82 1.54 -0.50 2.00 1.01 0.62 -1.89 121.20 123.16 3e1f s ILE 142 Ca 0.13 -0.90 -0.15 0.00 0.00 0.00 0.00 60.65 59.73 3e1f s ILE 142 Cb -0.11 -1.62 0.10 0.00 0.01 0.00 0.00 42.46 40.85 3e1f s ILE 142 CO 0.03 0.19 0.43 -0.36 0.00 0.00 0.00 174.94 175.23 3e1f s PHE 143 N 1.45 3.27 0.41 3.97 0.40 -0.42 -0.40 117.98 126.65 3e1f s PHE 143 Ca -0.00 -1.21 0.38 0.00 -0.60 0.00 0.00 56.93 55.50 3e1f s PHE 143 Cb -0.16 -3.45 1.90 0.00 0.51 0.00 0.00 43.02 41.82 3e1f s PHE 143 CO -0.08 -0.91 2.18 -0.44 0.70 0.00 0.00 175.22 176.67 3e1f h ASP 144 N 8.76 0.00 -0.75 1.36 3.32 -1.41 -0.18 116.42 127.52 3e1f h ASP 144 Ca -0.28 0.00 0.19 0.00 0.02 0.00 0.00 57.03 56.96 3e1f h ASP 144 Cb 1.10 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.42 3e1f h ASP 144 CO 0.94 0.01 0.14 -0.83 -1.72 0.00 0.00 179.24 177.78 3e1f s GLY 145 N -4.17 -0.33 -0.11 2.75 0.00 -1.26 -3.48 107.32 100.72 3e1f s GLY 145 Ca -0.02 2.82 -0.00 0.00 0.00 0.00 0.00 44.72 47.51 3e1f s GLY 145 CO 0.48 3.46 -0.07 0.14 0.00 0.00 0.00 173.10 177.11 3e1f s VAL 146 N 2.67 0.98 -0.31 1.40 1.01 -1.25 -1.99 120.40 122.92 3e1f s VAL 146 Ca 0.01 -0.27 -0.11 0.00 0.00 0.00 0.00 61.98 61.61 3e1f s VAL 146 Cb -0.09 -1.02 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 3e1f s VAL 146 CO -0.16 0.35 0.18 0.21 0.00 0.00 0.00 175.10 175.69 3e1f s ASN 147 N 1.72 5.74 -0.00 3.32 3.84 -0.04 -3.87 114.94 125.66 3e1f s ASN 147 Ca 0.05 -0.41 0.02 0.00 0.21 0.00 0.00 52.86 52.73 3e1f s ASN 147 Cb -0.13 -2.05 -0.02 0.00 -0.55 0.00 0.00 41.25 38.50 3e1f s ASN 147 CO -0.08 -0.18 0.07 -1.54 -2.79 0.00 0.00 177.10 172.58 3e1f n SER 148 N 5.03 0.40 -3.50 -4.21 3.41 -0.78 -0.66 113.62 113.32 3e1f n SER 148 Ca -0.14 -0.50 -0.12 0.00 -0.26 0.00 0.00 58.87 57.85 3e1f n SER 148 Cb 0.50 1.01 -0.03 0.00 -0.26 0.00 0.00 64.21 65.42 3e1f n SER 148 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3e1f s ALA 149 N -1.23 -1.41 0.02 7.33 0.00 -1.17 -3.46 121.76 121.84 3e1f s ALA 149 Ca 0.01 0.44 -0.28 0.00 0.00 0.00 0.00 51.96 52.13 3e1f s ALA 149 Cb 0.01 0.69 0.09 0.00 0.00 0.00 0.00 23.12 23.92 3e1f s ALA 149 CO 0.07 -0.67 0.81 -0.59 0.00 0.00 0.00 175.76 175.39 3e1f s PHE 150 N -3.35 -0.41 -0.02 0.00 -0.71 -0.65 -0.93 117.98 111.91 3e1f s PHE 150 Ca -0.01 0.32 0.04 0.00 -1.04 0.00 0.00 56.93 56.25 3e1f s PHE 150 Cb -0.00 0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 42.31 3e1f s PHE 150 CO -0.09 -0.61 -0.14 -1.01 -1.34 0.00 0.00 175.22 172.03 3e1f s HIS 151 N -3.02 2.68 -0.06 3.49 3.76 -0.05 -1.75 115.29 120.34 3e1f s HIS 151 Ca 0.03 -0.17 0.06 0.00 -0.15 0.00 0.00 55.06 54.82 3e1f s HIS 151 Cb -0.01 -1.58 -0.01 0.00 1.11 0.00 0.00 32.58 32.09 3e1f s HIS 151 CO -0.08 0.22 -0.24 -1.17 -0.85 0.00 0.00 174.74 172.62 3e1f s LEU 152 N -0.99 2.05 -0.01 0.89 2.96 -0.47 -1.09 118.68 122.02 3e1f s LEU 152 Ca 0.13 -0.50 0.05 0.00 -0.22 0.00 0.00 54.13 53.59 3e1f s LEU 152 Cb -0.11 -1.32 -0.01 0.00 0.50 0.00 0.00 46.19 45.25 3e1f s LEU 152 CO 0.03 0.23 -0.16 0.26 -1.32 0.00 0.00 176.35 175.38 3e1f s TRP 153 N -0.09 1.42 -0.21 5.38 0.51 0.58 0.05 118.94 126.58 3e1f s TRP 153 Ca -0.05 -0.27 0.00 0.00 -2.12 0.00 0.00 56.10 53.66 3e1f s TRP 153 Cb -0.14 -0.91 0.05 0.00 -0.81 0.00 0.00 33.47 31.66 3e1f s TRP 153 CO 0.04 -0.02 -0.07 0.00 -0.51 0.00 0.00 176.95 176.39 3e1f n ASN 155 N 4.72 -4.97 0.00 0.00 3.02 0.51 -2.67 115.26 115.87 3e1f n ASN 155 Ca -0.13 -0.65 0.00 0.00 -0.03 0.00 0.00 54.58 53.77 3e1f n ASN 155 Cb 0.46 -5.00 0.00 0.00 -0.61 0.00 0.00 39.78 34.63 3e1f n ASN 155 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3e1f n GLY 156 N -1.20 1.15 3.77 7.41 0.00 -1.16 -4.94 105.19 110.22 3e1f n GLY 156 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 3e1f n GLY 156 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3e1f s ARG 157 N 0.00 4.70 0.11 1.61 0.52 -1.09 -4.90 118.95 119.90 3e1f s ARG 157 Ca 0.00 1.33 -0.30 0.00 -0.52 0.00 0.00 55.73 56.23 3e1f s ARG 157 Cb 0.00 -3.20 -0.06 0.00 0.52 0.00 0.00 34.95 32.21 3e1f s ARG 157 CO 0.00 0.51 1.10 -0.46 0.02 0.00 0.00 175.30 176.46 3e1f s TRP 158 N -1.23 3.58 -0.16 -0.53 -0.00 -1.26 0.42 118.94 119.75 3e1f s TRP 158 Ca 0.40 1.54 -0.16 0.00 -0.00 0.00 0.00 56.10 57.89 3e1f s TRP 158 Cb -0.24 -3.27 -0.06 0.00 -0.00 0.00 0.00 33.47 29.90 3e1f s TRP 158 CO 0.29 -0.64 -0.31 0.28 -0.00 0.00 0.00 176.95 176.56 3e1f n VAL 159 N 3.13 1.46 -3.34 5.86 0.31 0.11 -4.88 118.33 120.97 3e1f n VAL 159 Ca 0.05 0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 3e1f n VAL 159 Cb 0.47 -2.21 0.00 0.00 -0.91 0.00 0.00 33.84 31.19 3e1f n VAL 159 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3e1f n GLY 160 N 1.65 1.24 3.06 2.92 0.00 -1.15 -4.76 105.19 108.15 3e1f n GLY 160 Ca -0.17 -0.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 3e1f n GLY 160 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3e1f s TYR 161 N -4.56 0.52 -0.06 1.61 5.04 -0.32 -1.37 117.35 118.21 3e1f s TYR 161 Ca 0.00 -0.74 -0.22 0.00 -2.44 0.00 0.00 57.07 53.67 3e1f s TYR 161 Cb 0.00 -0.34 0.05 0.00 0.35 0.00 0.00 41.96 42.02 3e1f s TYR 161 CO 0.00 -0.22 0.50 0.20 -1.34 0.00 0.00 175.55 174.70 3e1f s GLY 162 N -2.14 -0.37 0.25 8.97 0.00 -0.72 -1.01 107.32 112.29 3e1f s GLY 162 Ca -0.04 0.95 0.02 0.00 0.00 0.00 0.00 44.72 45.65 3e1f s GLY 162 CO -0.04 0.67 0.06 1.20 0.00 0.00 0.00 173.10 174.99 3e1f s GLN 163 N -0.99 1.40 0.00 2.90 -0.21 -0.39 -1.64 119.66 120.73 3e1f s GLN 163 Ca -0.10 -1.75 0.00 0.00 0.02 0.00 0.00 55.36 53.53 3e1f s GLN 163 Cb -0.03 -0.44 0.00 0.00 1.00 0.00 0.00 33.01 33.54 3e1f s GLN 163 CO 0.06 -0.22 0.00 -3.47 -2.12 0.00 0.00 175.29 169.54 3e1f n ASP 164 N -0.47 -0.98 0.11 5.90 -0.08 -1.22 -4.93 116.55 114.88 3e1f n ASP 164 Ca -0.02 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.32 3e1f n ASP 164 Cb 0.65 -0.49 0.35 0.00 2.34 0.00 0.00 41.12 43.98 3e1f n ASP 164 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 3e1f n SER 165 N -0.06 0.33 -0.49 1.67 7.64 -1.25 -3.04 113.62 118.42 3e1f n SER 165 Ca 0.00 0.61 0.06 0.00 1.01 0.00 0.00 58.87 60.55 3e1f n SER 165 Cb 0.00 -0.62 0.05 0.00 -1.01 0.00 0.00 64.21 62.63 3e1f n SER 165 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3e1f n ARG 166 N -1.95 0.73 -4.32 1.43 5.12 -1.26 -3.96 116.66 112.44 3e1f n ARG 166 Ca -0.01 -1.24 -0.24 0.00 -1.93 0.00 0.00 57.85 54.43 3e1f n ARG 166 Cb 0.13 -1.23 -0.12 0.00 -1.16 0.00 0.00 32.46 30.07 3e1f n ARG 166 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3e1f s LEU 167 N -1.01 2.36 0.36 0.55 1.43 -1.17 -4.54 118.68 116.65 3e1f s LEU 167 Ca 0.14 -0.76 -0.27 0.00 -1.03 0.00 0.00 54.13 52.21 3e1f s LEU 167 Cb 0.10 -0.91 -0.09 0.00 0.03 0.00 0.00 46.19 45.32 3e1f s LEU 167 CO 0.15 0.04 1.24 -2.16 0.23 0.00 0.00 176.35 175.85 3e1f s PRO 168 N -2.26 4.24 -0.17 1.29 0.04 -1.23 -4.56 135.00 132.36 3e1f s PRO 168 Ca 0.11 2.05 -0.01 0.00 0.04 0.00 0.00 61.00 63.19 3e1f s PRO 168 Cb -0.08 -2.93 -0.01 0.00 0.04 0.00 0.00 34.50 31.52 3e1f s PRO 168 CO 0.05 -0.22 -0.11 -1.12 0.04 0.00 0.00 177.00 175.64 3e1f s SER 169 N -0.75 4.02 -0.05 6.66 0.01 -0.08 -4.95 113.70 118.56 3e1f s SER 169 Ca 0.52 -0.38 0.06 0.00 1.31 0.00 0.00 55.95 57.45 3e1f s SER 169 Cb -0.36 -1.64 -0.02 0.00 0.21 0.00 0.00 66.02 64.21 3e1f s SER 169 CO 0.47 0.08 -0.23 -1.61 0.41 0.00 0.00 173.24 172.36 3e1f s GLU 170 N 0.85 2.51 0.01 12.44 2.02 -1.26 -1.30 118.70 133.97 3e1f s GLU 170 Ca -0.03 -0.86 0.03 0.00 0.02 0.00 0.00 54.97 54.13 3e1f s GLU 170 Cb -0.15 -2.20 -0.01 0.00 0.10 0.00 0.00 34.13 31.86 3e1f s GLU 170 CO 0.00 0.45 -0.11 -0.06 0.02 0.00 0.00 175.26 175.56 3e1f s PHE 171 N -0.31 0.94 -0.50 1.61 0.40 -0.79 0.37 117.98 119.70 3e1f s PHE 171 Ca 0.01 -0.25 -0.27 0.00 -0.60 0.00 0.00 56.93 55.82 3e1f s PHE 171 Cb -0.13 -0.58 0.03 0.00 0.51 0.00 0.00 43.02 42.85 3e1f s PHE 171 CO 0.02 -0.01 1.06 0.34 0.70 0.00 0.00 175.22 177.34 3e1f s ASP 172 N -0.61 6.52 0.00 1.36 -1.08 -1.26 -1.11 116.67 120.49 3e1f s ASP 172 Ca 0.02 0.20 0.25 0.00 -0.52 0.00 0.00 52.55 52.50 3e1f s ASP 172 Cb -0.05 -2.51 0.52 0.00 -1.46 0.00 0.00 42.92 39.42 3e1f s ASP 172 CO 0.00 -1.23 1.42 0.18 0.52 0.00 0.00 175.17 176.06 3e1f n LEU 173 N 7.70 1.31 -0.25 -1.34 4.77 -0.13 -4.58 117.00 124.48 3e1f n LEU 173 Ca 0.08 -0.41 0.03 0.00 -0.03 0.00 0.00 56.01 55.69 3e1f n LEU 173 Cb 0.49 -0.09 0.09 0.00 -2.33 0.00 0.00 43.42 41.58 3e1f n LEU 173 CO 0.68 0.25 0.45 -1.20 -1.33 0.00 0.00 177.39 176.24 3e1f n SER 174 N -0.48 -0.28 -0.50 -1.43 7.64 -0.62 0.49 113.62 118.44 3e1f n SER 174 Ca 0.11 1.21 0.04 0.00 1.01 0.00 0.00 58.87 61.24 3e1f n SER 174 Cb 0.38 -0.35 0.11 0.00 -1.01 0.00 0.00 64.21 63.34 3e1f n SER 174 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3e1f n ALA 175 N -3.72 2.50 -0.02 -0.43 0.00 -1.26 -3.88 120.51 113.70 3e1f n ALA 175 Ca 0.11 -0.45 -0.01 0.00 0.00 0.00 0.00 53.44 53.08 3e1f n ALA 175 Cb 0.34 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.77 3e1f n ALA 175 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3e1f n PHE 176 N 0.23 0.00 -2.53 0.00 3.01 0.18 -5.04 117.46 113.31 3e1f n PHE 176 Ca 0.08 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.22 3e1f n PHE 176 Cb 0.24 -0.18 -0.04 0.00 -0.01 0.00 0.00 39.48 39.49 3e1f n PHE 176 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3e1f s LEU 177 N -4.01 3.71 0.11 4.37 1.43 -0.94 -4.78 118.68 118.57 3e1f s LEU 177 Ca -0.02 1.55 0.04 0.00 -1.03 0.00 0.00 54.13 54.67 3e1f s LEU 177 Cb 0.02 -4.46 -0.04 0.00 0.03 0.00 0.00 46.19 41.74 3e1f s LEU 177 CO 0.19 -0.52 -0.11 0.00 0.23 0.00 0.00 176.35 176.14 3e1f s ARG 178 N -3.86 0.91 0.24 1.70 1.70 -1.26 -5.02 118.95 113.35 3e1f s ARG 178 Ca 0.59 -1.21 -0.30 0.00 -0.47 0.00 0.00 55.73 54.33 3e1f s ARG 178 Cb -0.10 -0.60 -0.10 0.00 -0.57 0.00 0.00 34.95 33.57 3e1f s ARG 178 CO 0.28 0.09 1.53 0.00 -1.08 0.00 0.00 175.30 176.12 3e1f s ALA 179 N -2.52 3.71 0.00 7.88 0.00 -1.26 -4.51 121.76 125.06 3e1f s ALA 179 Ca 0.08 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.45 3e1f s ALA 179 Cb -0.02 -3.60 0.00 0.00 0.00 0.00 0.00 23.12 19.49 3e1f s ALA 179 CO 0.01 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.35 3e1f n GLY 180 N 2.67 -0.54 3.64 0.00 0.00 -1.06 -4.92 105.19 104.99 3e1f n GLY 180 Ca 0.09 -1.74 -0.44 0.00 0.00 0.00 0.00 46.02 43.94 3e1f n GLY 180 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3e1f n GLU 181 N 0.00 1.73 -3.87 1.61 1.02 -1.26 -2.18 120.64 117.68 3e1f n GLU 181 Ca 0.00 0.61 -0.10 0.00 -0.02 0.00 0.00 57.16 57.65 3e1f n GLU 181 Cb 0.00 -2.10 -0.08 0.00 -0.02 0.00 0.00 31.44 29.24 3e1f n GLU 181 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3e1f s ASN 182 N -0.36 0.10 -0.03 1.62 0.01 0.11 -4.76 114.94 111.62 3e1f s ASN 182 Ca 0.59 -0.47 0.01 0.00 -0.71 0.00 0.00 52.86 52.28 3e1f s ASN 182 Cb -0.65 0.28 0.02 0.00 0.41 0.00 0.00 41.25 41.31 3e1f s ASN 182 CO 0.60 -0.58 -0.05 -0.60 -1.51 0.00 0.00 177.10 174.96 3e1f s ARG 183 N -2.84 0.76 -0.12 -0.60 3.52 -1.26 -1.54 118.95 116.87 3e1f s ARG 183 Ca -0.03 -0.14 -0.05 0.00 -0.13 0.00 0.00 55.73 55.38 3e1f s ARG 183 Cb 0.00 -0.76 -0.04 0.00 -1.56 0.00 0.00 34.95 32.60 3e1f s ARG 183 CO -0.05 -0.02 0.07 -0.51 -0.81 0.00 0.00 175.30 173.97 3e1f s LEU 184 N 0.63 3.96 -0.18 -0.88 1.43 0.47 -0.36 118.68 123.76 3e1f s LEU 184 Ca -0.08 0.26 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 3e1f s LEU 184 Cb -0.12 -1.95 0.03 0.00 0.03 0.00 0.00 46.19 44.18 3e1f s LEU 184 CO 0.00 0.35 -0.13 0.00 0.23 0.00 0.00 176.35 176.80 3e1f s ALA 185 N -0.67 2.00 -0.25 4.21 0.00 0.14 -1.49 121.76 125.71 3e1f s ALA 185 Ca 0.12 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 51.00 3e1f s ALA 185 Cb -0.12 -1.18 0.06 0.00 0.00 0.00 0.00 23.12 21.88 3e1f s ALA 185 CO 0.02 -0.58 -0.07 0.08 0.00 0.00 0.00 175.76 175.22 3e1f s VAL 186 N 1.41 1.82 -0.42 0.00 1.01 0.16 -0.30 120.40 124.07 3e1f s VAL 186 Ca 0.02 -1.45 -0.19 0.00 0.00 0.00 0.00 61.98 60.36 3e1f s VAL 186 Cb -0.14 -2.04 0.02 0.00 0.00 0.00 0.00 36.38 34.22 3e1f s VAL 186 CO -0.10 -0.11 0.55 -0.32 0.00 0.00 0.00 175.10 175.12 3e1f s MET 187 N 1.25 3.24 -0.27 2.72 1.75 -0.25 -0.96 119.30 126.79 3e1f s MET 187 Ca -0.06 -0.50 -0.09 0.00 -1.25 0.00 0.00 55.69 53.79 3e1f s MET 187 Cb -0.19 -3.94 -0.04 0.00 2.84 0.00 0.00 34.83 33.50 3e1f s MET 187 CO -0.06 -0.91 0.14 0.08 -0.65 0.00 0.00 175.02 173.61 3e1f s VAL 188 N 2.52 4.83 -0.15 10.11 1.01 0.12 -0.88 120.40 137.95 3e1f s VAL 188 Ca 0.18 -0.04 -0.17 0.00 0.00 0.00 0.00 61.98 61.96 3e1f s VAL 188 Cb -0.15 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 3e1f s VAL 188 CO 0.16 0.26 0.41 -0.76 0.00 0.00 0.00 175.10 175.18 3e1f s LEU 189 N 1.69 4.24 0.19 3.92 1.43 -0.10 0.07 118.68 130.11 3e1f s LEU 189 Ca 0.07 0.66 -0.09 0.00 -1.03 0.00 0.00 54.13 53.74 3e1f s LEU 189 Cb -0.16 -2.57 0.09 0.00 0.03 0.00 0.00 46.19 43.59 3e1f s LEU 189 CO 0.07 0.00 1.68 -0.09 0.23 0.00 0.00 176.35 178.25 3e1f h ARG 190 N 6.87 1.10 -6.50 1.70 2.43 -1.45 -2.04 114.38 116.48 3e1f h ARG 190 Ca -0.40 -0.29 -0.64 0.00 -0.81 0.00 0.00 59.98 57.83 3e1f h ARG 190 Cb 1.17 -0.13 -0.15 0.00 -0.42 0.00 0.00 29.97 30.44 3e1f h ARG 190 CO 0.75 1.01 -0.73 -1.58 -1.51 0.00 0.00 179.97 177.91 3e1f s TRP 191 N -5.21 2.69 0.06 2.20 0.23 -1.26 -3.97 118.94 113.68 3e1f s TRP 191 Ca -0.12 -0.19 -0.28 0.00 -2.03 0.00 0.00 56.10 53.48 3e1f s TRP 191 Cb 0.14 -1.36 0.09 0.00 0.03 0.00 0.00 33.47 32.37 3e1f s TRP 191 CO 0.85 0.47 1.08 -1.54 0.96 0.00 0.00 176.95 178.77 3e1f s SER 192 N -2.53 -0.15 0.60 2.95 1.04 -1.26 -4.85 113.70 109.50 3e1f s SER 192 Ca 0.23 -0.25 0.31 0.00 0.48 0.00 0.00 55.95 56.72 3e1f s SER 192 Cb -0.10 0.35 1.77 0.00 0.10 0.00 0.00 66.02 68.14 3e1f s SER 192 CO 0.14 -0.63 2.16 -2.24 0.98 0.00 0.00 173.24 173.65 3e1f h ASP 193 N 2.00 0.00 0.84 7.02 3.04 0.12 0.48 116.42 129.92 3e1f h ASP 193 Ca -0.25 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.54 3e1f h ASP 193 Cb 1.22 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.51 3e1f h ASP 193 CO 0.27 0.00 0.00 1.23 -2.04 0.00 0.00 179.24 178.70 3e1f h GLY 194 N 0.00 0.00 2.00 7.15 0.00 -1.91 -2.38 103.07 107.93 3e1f h GLY 194 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 3e1f h GLY 194 CO -0.00 0.00 -0.02 1.76 0.00 0.00 0.00 176.54 178.28 3e1f h SER 195 N 0.00 0.00 0.79 0.19 0.02 -0.38 -1.84 113.55 112.33 3e1f h SER 195 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3e1f h SER 195 Cb 0.42 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 3e1f h SER 195 CO 0.00 0.02 -0.07 1.88 -1.14 0.00 0.00 176.83 177.52 3e1f h TYR 196 N 0.00 0.00 -0.09 3.45 0.05 -1.57 -2.09 116.97 116.72 3e1f h TYR 196 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3e1f h TYR 196 Cb 0.28 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.02 3e1f h TYR 196 CO 0.00 0.07 0.00 1.28 -1.05 0.00 0.00 178.16 178.46 3e1f n LEU 197 N -3.24 2.80 -2.69 3.88 4.77 -0.70 -4.42 117.00 117.40 3e1f n LEU 197 Ca -0.00 -1.10 -0.29 0.00 -0.03 0.00 0.00 56.01 54.59 3e1f n LEU 197 Cb 0.30 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 41.34 3e1f n LEU 197 CO 0.28 0.51 0.37 -0.62 -1.33 0.00 0.00 177.39 176.60 3e1f n GLU 198 N 1.17 3.40 -1.92 3.23 1.02 -0.79 -0.15 120.64 126.61 3e1f n GLU 198 Ca 0.13 -4.51 -0.40 0.00 -0.02 0.00 0.00 57.16 52.36 3e1f n GLU 198 Cb 0.52 -2.26 0.04 0.00 -0.02 0.00 0.00 31.44 29.72 3e1f n GLU 198 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3e1f n ASP 199 N -0.41 7.50 -4.81 1.62 2.03 -0.27 -4.97 116.55 117.24 3e1f n ASP 199 Ca 0.39 -3.84 -0.34 0.00 0.52 0.00 0.00 54.79 51.52 3e1f n ASP 199 Cb 0.53 -1.06 -0.07 0.00 -0.72 0.00 0.00 41.12 39.81 3e1f n ASP 199 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 3e1f s GLN 200 N -4.07 4.29 -1.18 -0.67 1.11 -1.26 -4.61 119.66 113.27 3e1f s GLN 200 Ca 0.52 1.20 -0.20 0.00 0.01 0.00 0.00 55.36 56.89 3e1f s GLN 200 Cb 0.44 -2.34 -0.04 0.00 -1.01 0.00 0.00 33.01 30.06 3e1f s GLN 200 CO -0.41 0.02 1.90 -3.47 0.01 0.00 0.00 175.29 173.34 3e1f n ASP 201 N -0.35 3.63 -3.32 5.90 2.03 -1.26 -4.81 116.55 118.38 3e1f n ASP 201 Ca 0.06 -2.78 -0.11 0.00 0.52 0.00 0.00 54.79 52.48 3e1f n ASP 201 Cb 0.53 -1.65 -0.02 0.00 -0.72 0.00 0.00 41.12 39.26 3e1f n ASP 201 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3e1f s MET 202 N 5.30 1.94 0.23 -0.67 0.23 -1.26 -4.95 119.30 120.12 3e1f s MET 202 Ca 0.61 -1.52 -0.30 0.00 -1.03 0.00 0.00 55.69 53.44 3e1f s MET 202 Cb 0.04 0.52 -0.10 0.00 -1.53 0.00 0.00 34.83 33.75 3e1f s MET 202 CO 0.10 -0.85 1.51 -1.58 -2.03 0.00 0.00 175.02 172.17 3e1f s TRP 203 N -3.05 2.97 -0.57 3.16 0.52 -1.26 -4.27 118.94 116.44 3e1f s TRP 203 Ca 0.23 0.85 -0.20 0.00 0.02 0.00 0.00 56.10 57.00 3e1f s TRP 203 Cb -0.02 -3.91 0.07 0.00 -1.15 0.00 0.00 33.47 28.47 3e1f s TRP 203 CO 0.15 -3.09 0.76 1.03 0.02 0.00 0.00 176.95 175.82 3e1f s ARG 204 N 0.04 3.12 0.00 4.98 1.81 0.38 -4.93 118.95 124.35 3e1f s ARG 204 Ca 0.63 -0.96 0.00 0.00 -1.72 0.00 0.00 55.73 53.69 3e1f s ARG 204 Cb -0.44 -4.18 0.00 0.00 -0.45 0.00 0.00 34.95 29.88 3e1f s ARG 204 CO 0.41 -1.49 0.00 -1.33 -0.68 0.00 0.00 175.30 172.20 3e1f n MET 205 N 6.71 3.93 0.00 3.54 2.81 -1.26 -2.69 117.12 130.16 3e1f n MET 205 Ca -0.06 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.83 3e1f n MET 205 Cb 0.45 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.96 3e1f n MET 205 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3e1f n SER 206 N 0.00 0.00 0.00 7.83 3.41 -1.26 -4.84 113.62 118.76 3e1f n SER 206 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3e1f n SER 206 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3e1f n SER 206 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3e1f n GLY 207 N -0.18 -0.42 3.43 5.00 0.00 0.17 -2.94 105.19 110.25 3e1f n GLY 207 Ca 0.00 -2.24 -0.44 0.00 0.00 0.00 0.00 46.02 43.34 3e1f n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3e1f s ILE 208 N -0.14 5.02 -2.51 -0.61 1.01 -1.23 -0.86 121.20 121.88 3e1f s ILE 208 Ca 0.00 -2.13 0.25 0.00 0.00 0.00 0.00 60.65 58.77 3e1f s ILE 208 Cb 0.00 -4.77 0.46 0.00 0.01 0.00 0.00 42.46 38.16 3e1f s ILE 208 CO 0.00 -1.46 1.59 2.22 0.00 0.00 0.00 174.94 177.29 3e1f n PHE 209 N 5.69 0.10 -4.22 3.97 -1.74 -0.84 -0.59 117.46 119.83 3e1f n PHE 209 Ca 0.26 -0.05 -0.17 0.00 -0.56 0.00 0.00 57.45 56.93 3e1f n PHE 209 Cb 0.46 0.00 -0.13 0.00 1.52 0.00 0.00 39.48 41.34 3e1f n PHE 209 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 3e1f s ARG 210 N -1.90 0.74 0.21 3.97 0.52 -1.09 -4.46 118.95 116.95 3e1f s ARG 210 Ca 0.35 -0.72 -0.14 0.00 -0.52 0.00 0.00 55.73 54.69 3e1f s ARG 210 Cb 0.20 -0.68 -0.10 0.00 0.52 0.00 0.00 34.95 34.89 3e1f s ARG 210 CO 0.31 0.16 0.13 -0.25 0.02 0.00 0.00 175.30 175.67 3e1f n ASP 211 N 1.80 -1.50 -4.27 0.23 8.00 -1.26 -4.02 116.55 115.52 3e1f n ASP 211 Ca -0.19 0.56 -0.33 0.00 0.71 0.00 0.00 54.79 55.54 3e1f n ASP 211 Cb 0.55 -0.56 -0.16 0.00 -0.02 0.00 0.00 41.12 40.94 3e1f n ASP 211 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3e1f s VAL 212 N -0.92 2.52 0.29 2.53 1.01 -1.26 -1.46 120.40 123.11 3e1f s VAL 212 Ca 0.38 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.56 3e1f s VAL 212 Cb -0.45 -2.03 -0.06 0.00 0.00 0.00 0.00 36.38 33.85 3e1f s VAL 212 CO 0.38 0.53 0.02 -0.44 0.00 0.00 0.00 175.10 175.59 3e1f s SER 213 N 0.54 2.31 -0.15 3.32 0.01 0.46 -0.13 113.70 120.06 3e1f s SER 213 Ca -0.11 -1.30 -0.01 0.00 1.31 0.00 0.00 55.95 55.84 3e1f s SER 213 Cb -0.16 -0.08 0.04 0.00 0.21 0.00 0.00 66.02 66.03 3e1f s SER 213 CO 0.04 -0.53 -0.04 -0.22 0.41 0.00 0.00 173.24 172.90 3e1f s LEU 214 N -3.43 1.41 -0.08 2.44 2.96 0.43 -0.28 118.68 122.13 3e1f s LEU 214 Ca 0.33 -0.57 0.03 0.00 -0.22 0.00 0.00 54.13 53.70 3e1f s LEU 214 Cb 0.07 -0.82 -0.02 0.00 0.50 0.00 0.00 46.19 45.92 3e1f s LEU 214 CO 0.13 -0.19 -0.17 -0.22 -1.32 0.00 0.00 176.35 174.58 3e1f s LEU 215 N 1.70 2.50 -0.19 -0.68 2.96 -0.37 -0.88 118.68 123.73 3e1f s LEU 215 Ca 0.02 -0.35 -0.03 0.00 -0.22 0.00 0.00 54.13 53.54 3e1f s LEU 215 Cb -0.15 -1.52 -0.01 0.00 0.50 0.00 0.00 46.19 45.01 3e1f s LEU 215 CO -0.08 0.24 -0.06 -2.28 -1.32 0.00 0.00 176.35 172.85 3e1f s HIS 216 N -0.11 2.93 0.16 5.38 5.65 -0.31 -0.82 115.29 128.17 3e1f s HIS 216 Ca -0.03 -0.77 0.11 0.00 0.25 0.00 0.00 55.06 54.63 3e1f s HIS 216 Cb -0.14 -2.02 -0.04 0.00 -1.18 0.00 0.00 32.58 29.20 3e1f s HIS 216 CO 0.04 -0.39 -0.26 0.15 -0.65 0.00 0.00 174.74 173.63 3e1f s LYS 217 N 1.03 1.45 0.88 2.88 -0.14 0.78 -4.77 119.74 121.86 3e1f s LYS 217 Ca 0.00 -1.42 -0.11 0.00 -1.36 0.00 0.00 55.97 53.08 3e1f s LYS 217 Cb -0.15 -1.88 0.12 0.00 -1.68 0.00 0.00 37.83 34.25 3e1f s LYS 217 CO -0.00 0.43 1.09 -2.14 -0.76 0.00 0.00 175.35 173.97 3e1f s PRO 218 N -2.32 1.35 0.05 -1.68 0.02 -1.26 0.48 135.00 131.64 3e1f s PRO 218 Ca 0.17 0.99 -0.25 0.00 0.02 0.00 0.00 61.00 61.93 3e1f s PRO 218 Cb -0.09 -1.81 -0.17 0.00 0.02 0.00 0.00 34.50 32.45 3e1f s PRO 218 CO 0.08 -2.22 1.56 1.15 -0.33 0.00 0.00 177.00 177.23 3e1f h THR 219 N -1.54 1.03 -3.22 0.99 2.02 -1.93 -3.33 112.91 106.93 3e1f h THR 219 Ca -0.48 -0.37 -0.61 0.00 0.77 0.00 0.00 66.41 65.72 3e1f h THR 219 Cb 1.27 1.27 -0.12 0.00 -1.74 0.00 0.00 68.15 68.83 3e1f h THR 219 CO 0.52 0.09 0.55 -0.89 0.37 0.00 0.00 175.52 176.16 3e1f s THR 220 N -5.51 4.41 0.32 3.16 2.01 -1.26 -4.03 115.64 114.74 3e1f s THR 220 Ca -0.14 0.28 0.03 0.00 0.31 0.00 0.00 61.69 62.16 3e1f s THR 220 Cb 0.04 -4.53 -0.05 0.00 0.01 0.00 0.00 72.50 67.98 3e1f s THR 220 CO 0.65 -1.09 0.10 0.00 -0.69 0.00 0.00 174.62 173.59 3e1f s GLN 221 N 3.90 1.63 -0.34 4.92 -2.07 -0.63 -4.93 119.66 122.14 3e1f s GLN 221 Ca 0.30 -1.92 -0.20 0.00 -1.82 0.00 0.00 55.36 51.72 3e1f s GLN 221 Cb -0.13 -0.49 -0.00 0.00 -1.09 0.00 0.00 33.01 31.30 3e1f s GLN 221 CO 0.19 -0.33 0.62 0.42 -1.32 0.00 0.00 175.29 174.88 3e1f s ILE 222 N -3.47 4.91 -0.93 3.63 1.01 -1.26 -1.31 121.20 123.78 3e1f s ILE 222 Ca 0.34 0.66 0.21 0.00 0.00 0.00 0.00 60.65 61.86 3e1f s ILE 222 Cb 0.06 -4.04 -0.22 0.00 0.01 0.00 0.00 42.46 38.27 3e1f s ILE 222 CO 0.15 -0.25 0.90 -1.54 0.00 0.00 0.00 174.94 174.20 3e1f n SER 223 N 5.97 0.90 -3.65 3.58 3.41 -0.20 -4.94 113.62 118.68 3e1f n SER 223 Ca -0.01 -0.88 -0.01 0.00 -0.26 0.00 0.00 58.87 57.70 3e1f n SER 223 Cb 0.49 1.03 -0.04 0.00 -0.26 0.00 0.00 64.21 65.42 3e1f n SER 223 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3e1f s ASP 224 N -3.12 -0.01 -0.18 4.04 2.15 -1.12 -4.93 116.67 113.50 3e1f s ASP 224 Ca 0.07 0.01 -0.15 0.00 0.43 0.00 0.00 52.55 52.91 3e1f s ASP 224 Cb 0.16 0.01 0.05 0.00 -0.30 0.00 0.00 42.92 42.84 3e1f s ASP 224 CO 0.86 -0.01 0.48 0.72 -0.17 0.00 0.00 175.17 177.05 3e1f s PHE 225 N -0.91 -0.57 -0.14 -5.34 -0.71 -1.26 -0.61 117.98 108.45 3e1f s PHE 225 Ca 0.10 1.32 0.01 0.00 -1.04 0.00 0.00 56.93 57.32 3e1f s PHE 225 Cb -0.01 0.22 -0.00 0.00 -1.21 0.00 0.00 43.02 42.01 3e1f s PHE 225 CO -0.09 -0.28 -0.17 -1.01 -1.34 0.00 0.00 175.22 172.32 3e1f s HIS 226 N 0.54 2.73 -0.19 3.49 3.76 -0.30 -4.82 115.29 120.50 3e1f s HIS 226 Ca -0.02 -0.97 -0.07 0.00 -0.15 0.00 0.00 55.06 53.85 3e1f s HIS 226 Cb -0.04 -1.83 -0.04 0.00 1.11 0.00 0.00 32.58 31.78 3e1f s HIS 226 CO -0.03 -0.41 0.05 0.08 -0.85 0.00 0.00 174.74 173.58 3e1f s VAL 227 N 0.60 4.57 0.06 -0.90 1.01 -1.26 -1.58 120.40 122.90 3e1f s VAL 227 Ca -0.10 -0.10 0.05 0.00 0.00 0.00 0.00 61.98 61.83 3e1f s VAL 227 Cb -0.16 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 3e1f s VAL 227 CO 0.03 0.44 -0.15 0.00 0.00 0.00 0.00 175.10 175.42 3e1f s ALA 228 N 0.64 1.23 -0.15 5.51 0.00 0.38 -4.89 121.76 124.49 3e1f s ALA 228 Ca 0.03 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 3e1f s ALA 228 Cb -0.13 -0.16 0.05 0.00 0.00 0.00 0.00 23.12 22.88 3e1f s ALA 228 CO 0.02 0.21 0.05 0.95 0.00 0.00 0.00 175.76 176.99 3e1f s THR 229 N -1.03 0.26 -0.06 0.00 -4.23 -1.26 -0.38 115.64 108.93 3e1f s THR 229 Ca 0.01 -0.24 0.03 0.00 -1.18 0.00 0.00 61.69 60.30 3e1f s THR 229 Cb -0.09 -0.73 -0.03 0.00 1.34 0.00 0.00 72.50 72.99 3e1f s THR 229 CO 0.02 -0.12 -0.12 -0.13 -0.54 0.00 0.00 174.62 173.73 3e1f s ARG 230 N 1.99 2.64 0.40 3.99 0.52 -0.92 -4.82 118.95 122.75 3e1f s ARG 230 Ca 0.01 -0.65 0.08 0.00 -0.52 0.00 0.00 55.73 54.65 3e1f s ARG 230 Cb -0.15 -2.46 -0.07 0.00 0.52 0.00 0.00 34.95 32.78 3e1f s ARG 230 CO -0.07 0.60 0.00 -0.06 0.02 0.00 0.00 175.30 175.79 3e1f s PHE 231 N -0.67 2.51 0.80 -0.53 0.40 -1.26 -0.04 117.98 119.18 3e1f s PHE 231 Ca 0.10 -0.63 -0.08 0.00 -0.60 0.00 0.00 56.93 55.72 3e1f s PHE 231 Cb -0.11 -1.71 0.13 0.00 0.51 0.00 0.00 43.02 41.84 3e1f s PHE 231 CO 0.01 0.46 1.12 0.54 0.70 0.00 0.00 175.22 178.05 3e1f s ASN 232 N -3.70 4.07 0.45 1.36 2.20 -0.94 -4.92 114.94 113.46 3e1f s ASN 232 Ca 0.35 0.16 0.19 0.00 -0.94 0.00 0.00 52.86 52.62 3e1f s ASN 232 Cb 0.08 -0.51 1.15 0.00 -2.00 0.00 0.00 41.25 39.96 3e1f s ASN 232 CO 0.18 -2.08 1.91 -2.24 -2.94 0.00 0.00 177.10 171.93 3e1f h ASP 233 N -0.96 0.30 -0.53 3.54 3.04 -2.01 -2.05 116.42 117.76 3e1f h ASP 233 Ca -0.42 0.02 0.00 0.00 -3.24 0.00 0.00 57.03 53.39 3e1f h ASP 233 Cb 1.27 -0.04 0.00 0.00 -1.04 0.00 0.00 39.33 39.53 3e1f h ASP 233 CO 0.47 0.15 0.00 -0.90 -2.04 0.00 0.00 179.24 176.91 3e1f n ASP 234 N -4.45 4.01 -2.38 4.15 5.75 -1.26 -4.96 116.55 117.41 3e1f n ASP 234 Ca 0.15 -2.33 -0.19 0.00 -0.01 0.00 0.00 54.79 52.41 3e1f n ASP 234 Cb 0.62 -0.46 -0.01 0.00 -1.03 0.00 0.00 41.12 40.23 3e1f n ASP 234 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3e1f n PHE 235 N 0.81 -1.07 0.03 2.11 3.01 -0.77 -4.85 117.46 116.73 3e1f n PHE 235 Ca 0.21 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.63 3e1f n PHE 235 Cb 0.72 -3.68 -0.09 0.00 -0.01 0.00 0.00 39.48 36.42 3e1f n PHE 235 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3e1f h SER 236 N 0.00 0.00 -4.02 4.37 4.64 -1.93 -3.40 113.55 113.21 3e1f h SER 236 Ca -0.45 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.40 3e1f h SER 236 Cb 1.33 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.23 3e1f h SER 236 CO 0.53 0.77 -0.78 -0.13 -0.87 0.00 0.00 176.83 176.35 3e1f s ARG 237 N -2.79 1.07 -0.05 4.77 0.52 -1.26 0.20 118.95 121.41 3e1f s ARG 237 Ca -0.02 -1.22 -0.18 0.00 -0.52 0.00 0.00 55.73 53.79 3e1f s ARG 237 Cb 0.08 -1.09 0.04 0.00 0.52 0.00 0.00 34.95 34.50 3e1f s ARG 237 CO 0.81 0.23 0.40 0.00 0.02 0.00 0.00 175.30 176.75 3e1f s ALA 238 N -1.80 -1.01 -0.18 2.13 0.00 -0.29 -2.20 121.76 118.40 3e1f s ALA 238 Ca 0.08 0.69 -0.00 0.00 0.00 0.00 0.00 51.96 52.73 3e1f s ALA 238 Cb -0.07 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 22.95 3e1f s ALA 238 CO 0.04 -0.27 -0.15 0.08 0.00 0.00 0.00 175.76 175.46 3e1f s VAL 239 N -0.96 2.49 -0.19 0.00 1.01 0.94 -0.78 120.40 122.91 3e1f s VAL 239 Ca -0.10 -0.80 -0.18 0.00 0.00 0.00 0.00 61.98 60.90 3e1f s VAL 239 Cb -0.04 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 3e1f s VAL 239 CO 0.04 0.51 0.48 -0.22 0.00 0.00 0.00 175.10 175.92 3e1f s LEU 240 N 1.21 4.17 -0.17 3.92 0.20 0.53 -2.16 118.68 126.38 3e1f s LEU 240 Ca 0.02 0.66 -0.00 0.00 0.69 0.00 0.00 54.13 55.50 3e1f s LEU 240 Cb -0.14 -2.66 0.00 0.00 -0.43 0.00 0.00 46.19 42.96 3e1f s LEU 240 CO -0.07 -0.13 -0.14 -0.70 -0.29 0.00 0.00 176.35 175.02 3e1f s GLU 241 N 1.39 3.19 -0.24 1.98 2.12 0.48 -0.64 118.70 126.98 3e1f s GLU 241 Ca 0.23 -0.74 0.02 0.00 0.36 0.00 0.00 54.97 54.84 3e1f s GLU 241 Cb -0.15 -2.69 0.05 0.00 0.26 0.00 0.00 34.13 31.60 3e1f s GLU 241 CO 0.09 -0.08 -0.10 0.00 -0.54 0.00 0.00 175.26 174.63 3e1f s ALA 242 N 1.07 2.30 -0.19 6.30 0.00 0.49 -0.47 121.76 131.26 3e1f s ALA 242 Ca -0.00 -1.53 -0.18 0.00 0.00 0.00 0.00 51.96 50.24 3e1f s ALA 242 Cb -0.14 -1.47 -0.03 0.00 0.00 0.00 0.00 23.12 21.47 3e1f s ALA 242 CO -0.04 -1.08 0.51 -2.00 0.00 0.00 0.00 175.76 173.14 3e1f s GLU 243 N 1.24 4.21 -0.03 0.00 2.12 -0.62 -0.61 118.70 125.01 3e1f s GLU 243 Ca -0.06 0.40 0.07 0.00 0.36 0.00 0.00 54.97 55.75 3e1f s GLU 243 Cb -0.19 -3.54 -0.02 0.00 0.26 0.00 0.00 34.13 30.64 3e1f s GLU 243 CO -0.06 -0.10 -0.25 0.08 -0.54 0.00 0.00 175.26 174.39 3e1f s VAL 244 N 1.48 1.96 0.02 3.70 1.01 0.98 -1.15 120.40 128.39 3e1f s VAL 244 Ca 0.24 -1.05 0.07 0.00 0.00 0.00 0.00 61.98 61.25 3e1f s VAL 244 Cb -0.15 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 3e1f s VAL 244 CO 0.10 0.55 -0.21 -1.10 0.00 0.00 0.00 175.10 174.43 3e1f s GLN 245 N -0.43 1.56 0.35 2.72 -0.21 0.22 -1.20 119.66 122.68 3e1f s GLN 245 Ca 0.05 -0.88 0.05 0.00 0.02 0.00 0.00 55.36 54.60 3e1f s GLN 245 Cb -0.11 -1.61 -0.07 0.00 1.00 0.00 0.00 33.01 32.22 3e1f s GLN 245 CO 0.01 0.43 0.05 0.00 -2.12 0.00 0.00 175.29 173.65 3e1f s MET 246 N -0.89 1.76 0.11 2.91 0.23 -0.68 -1.04 119.30 121.70 3e1f s MET 246 Ca 0.08 -1.99 -0.00 0.00 -1.03 0.00 0.00 55.69 52.75 3e1f s MET 246 Cb -0.09 -1.09 -0.04 0.00 -1.53 0.00 0.00 34.83 32.08 3e1f s MET 246 CO 0.01 -0.16 0.01 0.00 -2.03 0.00 0.00 175.02 172.84 3e1f n GLY 248 N -0.04 -1.63 3.68 0.00 0.00 -1.26 -1.61 105.19 104.34 3e1f n GLY 248 Ca -0.09 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 3e1f n GLY 248 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3e1f s GLU 249 N 0.00 4.31 0.01 1.61 2.56 -1.26 -4.98 118.70 120.94 3e1f s GLU 249 Ca 0.00 1.77 -0.23 0.00 0.00 0.00 0.00 54.97 56.50 3e1f s GLU 249 Cb 0.00 -3.61 -0.05 0.00 2.00 0.00 0.00 34.13 32.47 3e1f s GLU 249 CO 0.00 -0.54 0.69 -0.51 -0.56 0.00 0.00 175.26 174.34 3e1f s LEU 250 N 2.56 4.41 -0.00 2.70 1.43 -1.26 -4.93 118.68 123.58 3e1f s LEU 250 Ca 0.58 1.30 -0.08 0.00 -1.03 0.00 0.00 54.13 54.90 3e1f s LEU 250 Cb -0.26 -3.09 0.00 0.00 0.03 0.00 0.00 46.19 42.87 3e1f s LEU 250 CO 0.22 0.02 0.16 -0.13 0.23 0.00 0.00 176.35 176.85 3e1f s ARG 251 N 0.07 0.50 0.33 1.70 1.81 -1.26 -5.05 118.95 117.04 3e1f s ARG 251 Ca 0.36 -0.36 0.05 0.00 -1.72 0.00 0.00 55.73 54.06 3e1f s ARG 251 Cb -0.19 0.21 0.58 0.00 -0.45 0.00 0.00 34.95 35.10 3e1f s ARG 251 CO 0.20 -0.12 1.83 -0.44 -0.68 0.00 0.00 175.30 176.09 3e1f h ASP 252 N 4.27 0.40 0.10 0.23 5.19 -1.99 -2.12 116.42 122.51 3e1f h ASP 252 Ca -0.31 -0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.00 3e1f h ASP 252 Cb 1.19 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 40.60 3e1f h ASP 252 CO 0.40 0.57 0.00 0.00 -3.12 0.00 0.00 179.24 177.09 3e1f n TYR 253 N -4.21 0.00 -2.66 4.55 0.18 -1.26 -4.71 117.16 109.05 3e1f n TYR 253 Ca 0.00 0.00 -0.36 0.00 1.88 0.00 0.00 57.90 59.42 3e1f n TYR 253 Cb 0.31 -0.18 -0.05 0.00 -0.38 0.00 0.00 39.34 39.04 3e1f n TYR 253 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3e1f s LEU 254 N -2.37 4.17 0.10 -3.48 1.43 -0.80 0.88 118.68 118.60 3e1f s LEU 254 Ca 0.10 1.92 -0.11 0.00 -1.03 0.00 0.00 54.13 55.01 3e1f s LEU 254 Cb 0.06 -4.19 0.01 0.00 0.03 0.00 0.00 46.19 42.10 3e1f s LEU 254 CO 0.11 -0.35 0.26 -0.13 0.23 0.00 0.00 176.35 176.48 3e1f s ARG 255 N -2.47 0.91 -0.04 1.70 1.81 0.82 -4.21 118.95 117.46 3e1f s ARG 255 Ca 0.56 -0.84 0.01 0.00 -1.72 0.00 0.00 55.73 53.75 3e1f s ARG 255 Cb -0.19 0.38 0.02 0.00 -0.45 0.00 0.00 34.95 34.71 3e1f s ARG 255 CO 0.24 -0.31 -0.06 0.08 -0.68 0.00 0.00 175.30 174.57 3e1f s VAL 256 N -3.71 0.67 -0.21 3.52 1.01 -0.64 -1.20 120.40 119.83 3e1f s VAL 256 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.80 3e1f s VAL 256 Cb 0.03 -0.66 0.05 0.00 0.00 0.00 0.00 36.38 35.81 3e1f s VAL 256 CO -0.11 0.25 -0.06 -0.89 0.00 0.00 0.00 175.10 174.29 3e1f s THR 257 N 0.75 1.41 -0.26 3.92 2.01 -0.72 -1.82 115.64 120.93 3e1f s THR 257 Ca -0.11 -1.01 -0.12 0.00 0.31 0.00 0.00 61.69 60.76 3e1f s THR 257 Cb -0.14 -1.63 -0.05 0.00 0.01 0.00 0.00 72.50 70.70 3e1f s THR 257 CO 0.01 0.00 0.23 -0.69 -0.69 0.00 0.00 174.62 173.48 3e1f s VAL 258 N 1.47 5.30 -0.04 3.82 1.01 -0.16 -2.19 120.40 129.61 3e1f s VAL 258 Ca -0.03 0.29 0.06 0.00 0.00 0.00 0.00 61.98 62.30 3e1f s VAL 258 Cb -0.17 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 3e1f s VAL 258 CO -0.07 0.27 -0.23 -0.94 0.00 0.00 0.00 175.10 174.13 3e1f s SER 259 N 1.40 2.79 -0.23 3.32 1.04 -0.97 -1.22 113.70 119.83 3e1f s SER 259 Ca 0.10 -0.45 -0.08 0.00 0.48 0.00 0.00 55.95 55.99 3e1f s SER 259 Cb -0.15 -0.60 -0.04 0.00 0.10 0.00 0.00 66.02 65.33 3e1f s SER 259 CO 0.08 0.24 0.10 -0.22 0.98 0.00 0.00 173.24 174.42 3e1f s LEU 260 N -0.27 3.77 -0.12 2.42 2.96 -0.18 -1.71 118.68 125.55 3e1f s LEU 260 Ca 0.01 -0.03 0.00 0.00 -0.22 0.00 0.00 54.13 53.90 3e1f s LEU 260 Cb -0.12 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 3e1f s LEU 260 CO 0.02 0.05 -0.13 0.26 -1.32 0.00 0.00 176.35 175.23 3e1f s TRP 261 N 1.11 2.80 -0.56 5.38 0.52 0.79 -1.70 118.94 127.29 3e1f s TRP 261 Ca 0.05 -0.54 -0.02 0.00 0.02 0.00 0.00 56.10 55.61 3e1f s TRP 261 Cb -0.14 -1.81 0.15 0.00 -1.15 0.00 0.00 33.47 30.52 3e1f s TRP 261 CO 0.04 -0.13 0.37 -1.14 0.02 0.00 0.00 176.95 176.11 3e1f s GLN 262 N 0.14 2.38 7.18 4.98 2.00 -0.46 -0.30 119.66 135.58 3e1f s GLN 262 Ca -0.07 -2.36 0.00 0.00 -2.00 0.00 0.00 55.36 50.94 3e1f s GLN 262 Cb -0.15 -3.66 0.00 0.00 0.80 0.00 0.00 33.01 30.00 3e1f s GLN 262 CO 0.05 -1.14 0.00 0.41 -0.50 0.00 0.00 175.29 174.10 3e1f n GLY 263 N 3.74 2.21 0.01 2.59 0.00 -1.26 -1.75 105.19 110.73 3e1f n GLY 263 Ca 0.05 -0.35 0.13 0.00 0.00 0.00 0.00 46.02 45.84 3e1f n GLY 263 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3e1f n GLU 264 N 13.03 0.05 -2.88 1.61 -0.58 -1.26 -4.89 120.64 125.72 3e1f n GLU 264 Ca 0.00 0.02 -0.32 0.00 -0.42 0.00 0.00 57.16 56.43 3e1f n GLU 264 Cb 0.00 -1.53 -0.06 0.00 -0.57 0.00 0.00 31.44 29.28 3e1f n GLU 264 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3e1f s THR 265 N -3.02 4.55 -0.52 2.62 2.01 -0.72 -5.04 115.64 115.51 3e1f s THR 265 Ca 0.11 1.17 -0.01 0.00 0.31 0.00 0.00 61.69 63.27 3e1f s THR 265 Cb 0.17 -3.63 0.14 0.00 0.01 0.00 0.00 72.50 69.19 3e1f s THR 265 CO 0.66 -0.35 0.31 -1.58 -0.69 0.00 0.00 174.62 172.98 3e1f s GLN 266 N -3.30 2.23 0.41 4.92 0.74 -1.26 -1.35 119.66 122.04 3e1f s GLN 266 Ca 0.58 -2.29 0.10 0.00 0.05 0.00 0.00 55.36 53.80 3e1f s GLN 266 Cb -0.10 -3.58 0.87 0.00 1.10 0.00 0.00 33.01 31.30 3e1f s GLN 266 CO 0.19 -1.12 1.97 -0.39 -0.55 0.00 0.00 175.29 175.39 3e1f h VAL 267 N 5.73 1.14 -2.62 1.34 -1.51 -1.68 -3.46 116.25 115.18 3e1f h VAL 267 Ca -0.06 -0.59 0.07 0.00 -1.23 0.00 0.00 66.70 64.88 3e1f h VAL 267 Cb 0.98 1.10 -0.12 0.00 -2.13 0.00 0.00 31.29 31.11 3e1f h VAL 267 CO 0.69 0.19 0.36 0.00 -1.23 0.00 0.00 177.57 177.58 3e1f s ALA 268 N -4.87 -1.67 -0.28 5.19 0.00 -1.20 -4.99 121.76 113.95 3e1f s ALA 268 Ca -0.06 0.60 -0.24 0.00 0.00 0.00 0.00 51.96 52.26 3e1f s ALA 268 Cb 0.16 0.66 0.10 0.00 0.00 0.00 0.00 23.12 24.04 3e1f s ALA 268 CO 0.72 -0.79 0.88 0.45 0.00 0.00 0.00 175.76 177.02 3e1f s SER 269 N -2.67 -0.60 0.02 0.00 0.15 -1.26 -1.02 113.70 108.31 3e1f s SER 269 Ca 0.05 1.14 0.01 0.00 0.70 0.00 0.00 55.95 57.85 3e1f s SER 269 Cb -0.01 1.17 -0.01 0.00 -1.71 0.00 0.00 66.02 65.45 3e1f s SER 269 CO -0.08 -0.19 -0.05 -0.83 1.20 0.00 0.00 173.24 173.29 3e1f s GLY 270 N 0.44 0.31 0.04 9.45 0.00 -0.36 -5.00 107.32 112.20 3e1f s GLY 270 Ca 0.00 -0.45 0.04 0.00 0.00 0.00 0.00 44.72 44.32 3e1f s GLY 270 CO -0.05 -0.47 -0.12 -1.59 0.00 0.00 0.00 173.10 170.87 3e1f s THR 271 N -0.77 0.96 -0.10 0.90 2.01 -1.26 -0.99 115.64 116.39 3e1f s THR 271 Ca -0.05 -0.96 -0.30 0.00 0.31 0.00 0.00 61.69 60.68 3e1f s THR 271 Cb -0.06 -0.89 0.11 0.00 0.01 0.00 0.00 72.50 71.68 3e1f s THR 271 CO -0.00 -0.06 0.93 0.00 -0.69 0.00 0.00 174.62 174.80 3e1f s ALA 272 N -0.90 -1.88 0.56 7.40 0.00 -0.76 -5.01 121.76 121.17 3e1f s ALA 272 Ca -0.01 1.36 -0.07 0.00 0.00 0.00 0.00 51.96 53.25 3e1f s ALA 272 Cb -0.08 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 3e1f s ALA 272 CO 0.01 -0.45 0.89 -1.25 0.00 0.00 0.00 175.76 174.95 3e1f s PRO 273 N -1.86 3.27 0.69 0.00 0.04 -1.26 -1.62 135.00 134.27 3e1f s PRO 273 Ca 0.00 0.22 -0.16 0.00 0.04 0.00 0.00 61.00 61.11 3e1f s PRO 273 Cb -0.01 -2.27 0.02 0.00 0.04 0.00 0.00 34.50 32.28 3e1f s PRO 273 CO -0.02 -0.50 1.19 -0.06 0.04 0.00 0.00 177.00 177.65 3e1f s PHE 274 N -2.94 2.22 0.00 0.56 0.08 -1.26 -4.84 117.98 111.80 3e1f s PHE 274 Ca 0.52 1.58 0.00 0.00 0.12 0.00 0.00 56.93 59.14 3e1f s PHE 274 Cb -0.11 -3.41 0.00 0.00 -0.57 0.00 0.00 43.02 38.93 3e1f s PHE 274 CO 0.47 -2.37 0.00 0.41 -0.10 0.00 0.00 175.22 173.63 3e1f n GLY 275 N 0.23 1.66 3.67 4.36 0.00 0.11 -4.95 105.19 110.27 3e1f n GLY 275 Ca 0.13 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.47 3e1f n GLY 275 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e1f n GLY 276 N 0.00 -2.15 3.84 -0.02 0.00 0.25 -4.81 105.19 102.30 3e1f n GLY 276 Ca 0.00 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 44.11 3e1f n GLY 276 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3e1f s GLU 277 N -5.69 2.98 0.10 1.61 1.03 -1.26 -4.67 118.70 112.81 3e1f s GLU 277 Ca 0.73 0.75 -0.31 0.00 0.03 0.00 0.00 54.97 56.17 3e1f s GLU 277 Cb -0.04 -2.01 -0.08 0.00 -0.80 0.00 0.00 34.13 31.19 3e1f s GLU 277 CO 0.54 -1.01 1.56 0.42 -1.33 0.00 0.00 175.26 175.43 3e1f s ILE 278 N -3.16 3.04 -0.06 1.83 1.01 -1.26 -4.38 121.20 118.21 3e1f s ILE 278 Ca 0.58 0.62 0.09 0.00 0.00 0.00 0.00 60.65 61.93 3e1f s ILE 278 Cb -0.13 -3.40 -0.12 0.00 0.01 0.00 0.00 42.46 38.82 3e1f s ILE 278 CO 0.54 0.02 0.10 2.30 0.00 0.00 0.00 174.94 177.90 3e1f n ILE 279 N 4.37 0.38 -3.63 2.92 -5.35 0.38 -4.94 119.36 113.49 3e1f n ILE 279 Ca 0.14 -0.32 -0.07 0.00 -0.27 0.00 0.00 62.75 62.23 3e1f n ILE 279 Cb 0.41 -0.37 0.01 0.00 -1.74 0.00 0.00 39.64 37.95 3e1f n ILE 279 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3e1f n ASP 280 N -2.14 -1.54 0.33 7.28 5.68 -1.00 -5.03 116.55 120.12 3e1f n ASP 280 Ca -0.10 -2.19 0.14 0.00 -0.50 0.00 0.00 54.79 52.14 3e1f n ASP 280 Cb 0.58 2.60 0.71 0.00 -1.14 0.00 0.00 41.12 43.88 3e1f n ASP 280 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3e1f h GLU 281 N 0.00 0.00 -0.06 0.11 3.07 -2.05 0.11 114.58 115.76 3e1f h GLU 281 Ca -0.23 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.63 3e1f h GLU 281 Cb 0.89 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.80 3e1f h GLU 281 CO 0.30 0.00 0.00 0.54 -1.40 0.00 0.00 179.01 178.45 3e1f n ARG 282 N -2.87 2.00 0.00 2.33 5.12 -1.26 -5.06 116.66 116.92 3e1f n ARG 282 Ca -0.01 -1.46 0.00 0.00 -1.93 0.00 0.00 57.85 54.45 3e1f n ARG 282 Cb 0.47 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.30 3e1f n ARG 282 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3e1f n GLY 283 N 1.26 0.56 2.06 -0.13 0.00 0.38 -5.05 105.19 104.27 3e1f n GLY 283 Ca 0.17 -1.49 -0.08 0.00 0.00 0.00 0.00 46.02 44.62 3e1f n GLY 283 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e1f n GLY 284 N 0.00 2.30 3.58 -0.02 0.00 -1.26 -0.47 105.19 109.32 3e1f n GLY 284 Ca 0.00 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 3e1f n GLY 284 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3e1f s TYR 285 N -4.00 2.45 -0.38 1.61 1.51 -1.26 -4.84 117.35 112.44 3e1f s TYR 285 Ca 0.16 0.40 0.27 0.00 -1.01 0.00 0.00 57.07 56.88 3e1f s TYR 285 Cb -0.01 -4.48 0.95 0.00 -0.11 0.00 0.00 41.96 38.31 3e1f s TYR 285 CO 0.11 -1.79 1.78 0.00 -1.11 0.00 0.00 175.55 174.55 3e1f h ALA 286 N 10.20 1.00 -0.96 3.71 0.00 -1.94 0.75 119.26 132.02 3e1f h ALA 286 Ca -0.26 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.13 3e1f h ALA 286 Cb 1.07 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.56 3e1f h ALA 286 CO 1.19 0.00 0.64 -0.40 0.00 0.00 0.00 179.25 180.68 3e1f n ASP 287 N -2.60 4.18 -3.80 0.00 5.75 -1.26 -3.33 116.55 115.49 3e1f n ASP 287 Ca 0.03 -3.64 -0.10 0.00 -0.01 0.00 0.00 54.79 51.07 3e1f n ASP 287 Cb 0.34 -0.84 -0.05 0.00 -1.03 0.00 0.00 41.12 39.53 3e1f n ASP 287 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3e1f s ARG 288 N -3.37 1.16 -0.17 0.11 0.52 -1.14 -1.68 118.95 114.39 3e1f s ARG 288 Ca 0.57 -0.94 -0.28 0.00 -0.52 0.00 0.00 55.73 54.56 3e1f s ARG 288 Cb 0.48 0.44 0.07 0.00 0.52 0.00 0.00 34.95 36.46 3e1f s ARG 288 CO 0.09 -0.45 0.72 0.54 0.02 0.00 0.00 175.30 176.22 3e1f s VAL 289 N -3.89 0.00 -0.13 3.52 0.11 -0.34 0.06 120.40 119.73 3e1f s VAL 289 Ca 0.10 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.17 3e1f s VAL 289 Cb 0.02 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.88 3e1f s VAL 289 CO -0.05 0.00 -0.22 -0.89 -3.33 0.00 0.00 175.10 170.61 3e1f s THR 290 N -0.39 2.04 -0.06 5.04 2.01 -1.26 -0.01 115.64 123.01 3e1f s THR 290 Ca -0.05 -0.97 -0.03 0.00 0.31 0.00 0.00 61.69 60.95 3e1f s THR 290 Cb -0.03 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 3e1f s THR 290 CO 0.05 0.55 0.12 -0.76 -0.69 0.00 0.00 174.62 173.88 3e1f s LEU 291 N 0.77 4.14 -0.20 4.42 2.01 0.22 -4.91 118.68 125.14 3e1f s LEU 291 Ca -0.08 0.31 -0.01 0.00 0.01 0.00 0.00 54.13 54.36 3e1f s LEU 291 Cb -0.16 -2.23 0.05 0.00 0.01 0.00 0.00 46.19 43.87 3e1f s LEU 291 CO -0.01 0.33 -0.02 -0.13 1.01 0.00 0.00 176.35 177.53 3e1f s ARG 292 N -1.43 1.21 -0.04 1.70 0.52 -1.26 -0.38 118.95 119.28 3e1f s ARG 292 Ca 0.20 -0.63 -0.00 0.00 -0.52 0.00 0.00 55.73 54.77 3e1f s ARG 292 Cb -0.12 -2.22 -0.04 0.00 0.52 0.00 0.00 34.95 33.10 3e1f s ARG 292 CO 0.10 -0.56 0.03 -0.51 0.02 0.00 0.00 175.30 174.38 3e1f s LEU 293 N 1.64 3.67 0.19 2.53 1.43 0.18 -4.93 118.68 123.39 3e1f s LEU 293 Ca -0.02 0.10 -0.09 0.00 -1.03 0.00 0.00 54.13 53.10 3e1f s LEU 293 Cb -0.17 -2.01 -0.07 0.00 0.03 0.00 0.00 46.19 43.97 3e1f s LEU 293 CO -0.07 0.32 0.49 0.20 0.23 0.00 0.00 176.35 177.51 3e1f s ASN 294 N -1.35 6.60 -0.13 2.29 0.01 -1.26 -0.35 114.94 120.75 3e1f s ASN 294 Ca 0.18 0.83 -0.04 0.00 -0.71 0.00 0.00 52.86 53.12 3e1f s ASN 294 Cb -0.12 -2.19 0.06 0.00 0.41 0.00 0.00 41.25 39.42 3e1f s ASN 294 CO 0.08 -0.01 0.17 -0.69 -1.51 0.00 0.00 177.10 175.14 3e1f s VAL 295 N -1.72 -0.26 0.06 1.60 1.01 0.04 -4.78 120.40 116.36 3e1f s VAL 295 Ca 0.44 0.17 -0.14 0.00 0.00 0.00 0.00 61.98 62.44 3e1f s VAL 295 Cb -0.12 -0.43 -0.06 0.00 0.00 0.00 0.00 36.38 35.77 3e1f s VAL 295 CO 0.22 0.00 0.47 -1.61 0.00 0.00 0.00 175.10 174.18 3e1f s GLU 296 N 2.29 3.94 -1.10 2.72 0.41 -1.26 -1.14 118.70 124.55 3e1f s GLU 296 Ca 0.04 0.43 -0.25 0.00 -0.41 0.00 0.00 54.97 54.79 3e1f s GLU 296 Cb -0.13 -3.11 0.03 0.00 -1.78 0.00 0.00 34.13 29.14 3e1f s GLU 296 CO -0.08 0.61 0.67 0.09 -0.49 0.00 0.00 175.26 176.05 3e1f n ASN 297 N 1.37 -4.42 -4.79 -0.19 3.02 0.53 -4.89 115.26 105.89 3e1f n ASN 297 Ca -0.10 -1.19 -0.34 0.00 -0.03 0.00 0.00 54.58 52.92 3e1f n ASN 297 Cb 0.52 -1.77 0.01 0.00 -0.61 0.00 0.00 39.78 37.93 3e1f n ASN 297 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3e1f s PRO 298 N -6.68 3.33 -0.58 3.52 0.04 -1.26 -4.96 135.00 128.40 3e1f s PRO 298 Ca 0.36 1.38 -0.26 0.00 0.04 0.00 0.00 61.00 62.52 3e1f s PRO 298 Cb -0.19 -2.02 0.04 0.00 0.04 0.00 0.00 34.50 32.36 3e1f s PRO 298 CO 0.95 -0.83 1.07 0.15 0.04 0.00 0.00 177.00 178.37 3e1f s LYS 299 N -3.70 3.39 0.51 4.56 1.02 -1.26 -5.01 119.74 119.25 3e1f s LYS 299 Ca 0.67 -0.07 -0.21 0.00 0.02 0.00 0.00 55.97 56.38 3e1f s LYS 299 Cb -0.19 -4.05 -0.06 0.00 -0.52 0.00 0.00 37.83 33.01 3e1f s LYS 299 CO 0.32 -1.62 1.15 -0.51 -0.92 0.00 0.00 175.35 173.77 3e1f s LEU 300 N 4.47 3.86 0.01 3.17 1.43 -1.26 -4.37 118.68 125.99 3e1f s LEU 300 Ca 0.35 2.25 -0.09 0.00 -1.03 0.00 0.00 54.13 55.62 3e1f s LEU 300 Cb -0.10 -4.43 -0.05 0.00 0.03 0.00 0.00 46.19 41.64 3e1f s LEU 300 CO 0.21 -1.11 0.31 0.86 0.23 0.00 0.00 176.35 176.86 3e1f s TRP 301 N -1.65 3.62 0.25 0.29 -0.00 0.22 -4.01 118.94 117.64 3e1f s TRP 301 Ca 0.69 0.71 -0.22 0.00 -0.00 0.00 0.00 56.10 57.28 3e1f s TRP 301 Cb -0.27 -2.09 0.04 0.00 -0.00 0.00 0.00 33.47 31.16 3e1f s TRP 301 CO 0.31 0.61 0.84 -1.54 -0.00 0.00 0.00 176.95 177.17 3e1f s SER 302 N -1.49 -0.17 0.49 5.86 1.04 -0.86 -4.64 113.70 113.95 3e1f s SER 302 Ca 0.26 -0.63 0.29 0.00 0.48 0.00 0.00 55.95 56.35 3e1f s SER 302 Cb -0.14 0.65 0.92 0.00 0.10 0.00 0.00 66.02 67.54 3e1f s SER 302 CO 0.14 -1.22 1.82 0.00 0.98 0.00 0.00 173.24 174.96 3e1f h ALA 303 N 2.00 1.00 0.00 5.32 0.00 -1.90 -2.34 119.26 123.34 3e1f h ALA 303 Ca -0.23 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 3e1f h ALA 303 Cb 1.24 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.04 3e1f h ALA 303 CO 0.28 0.00 -0.28 0.93 0.00 0.00 0.00 179.25 180.17 3e1f h GLU 304 N 0.00 0.18 -2.82 0.00 5.08 -1.94 -3.42 114.58 111.66 3e1f h GLU 304 Ca 0.00 -0.20 -0.55 0.00 -1.00 0.00 0.00 59.36 57.60 3e1f h GLU 304 Cb 0.72 0.06 -0.40 0.00 0.50 0.00 0.00 28.75 29.63 3e1f h GLU 304 CO 0.00 0.95 -0.80 0.42 -1.00 0.00 0.00 179.01 178.58 3e1f s ILE 305 N -3.05 0.14 -0.72 3.13 1.01 -1.17 -4.96 121.20 115.57 3e1f s ILE 305 Ca -0.16 -1.17 -0.05 0.00 0.00 0.00 0.00 60.65 59.27 3e1f s ILE 305 Cb 0.01 -1.13 -0.08 0.00 0.01 0.00 0.00 42.46 41.27 3e1f s ILE 305 CO 0.75 -0.81 2.22 -0.81 0.00 0.00 0.00 174.94 176.29 3e1f n PRO 306 N 4.80 1.95 -1.80 2.79 -0.04 -0.89 -2.02 135.00 139.79 3e1f n PRO 306 Ca 0.00 -1.28 -0.42 0.00 -0.04 0.00 0.00 63.50 61.76 3e1f n PRO 306 Cb 0.40 -2.30 -0.03 0.00 -0.04 0.00 0.00 33.50 31.53 3e1f n PRO 306 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3e1f s ASN 307 N 3.09 6.52 0.21 3.54 0.01 -1.26 -4.88 114.94 122.18 3e1f s ASN 307 Ca 0.41 2.53 0.10 0.00 -0.71 0.00 0.00 52.86 55.19 3e1f s ASN 307 Cb 0.13 -2.54 -0.05 0.00 0.41 0.00 0.00 41.25 39.21 3e1f s ASN 307 CO -0.03 -1.00 -0.20 -0.76 -1.51 0.00 0.00 177.10 173.60 3e1f s LEU 308 N 4.11 2.50 0.36 0.60 1.43 -1.26 -4.19 118.68 122.22 3e1f s LEU 308 Ca 0.82 -0.94 0.05 0.00 -1.03 0.00 0.00 54.13 53.03 3e1f s LEU 308 Cb -0.40 -0.98 -0.07 0.00 0.03 0.00 0.00 46.19 44.78 3e1f s LEU 308 CO 0.37 0.01 0.04 -0.31 0.23 0.00 0.00 176.35 176.69 3e1f s TYR 309 N -2.23 2.13 -0.15 0.29 1.51 0.12 -4.80 117.35 114.22 3e1f s TYR 309 Ca 0.22 -0.88 0.02 0.00 -1.01 0.00 0.00 57.07 55.42 3e1f s TYR 309 Cb -0.05 -1.44 0.01 0.00 -0.11 0.00 0.00 41.96 40.37 3e1f s TYR 309 CO 0.10 0.14 -0.21 0.50 -1.11 0.00 0.00 175.55 174.97 3e1f s ARG 310 N -3.83 2.92 -0.23 -0.62 6.06 0.59 -0.10 118.95 123.74 3e1f s ARG 310 Ca 0.35 -0.81 -0.08 0.00 -2.50 0.00 0.00 55.73 52.68 3e1f s ARG 310 Cb 0.09 -2.43 -0.04 0.00 0.06 0.00 0.00 34.95 32.63 3e1f s ARG 310 CO 0.16 -0.10 0.10 0.00 -2.50 0.00 0.00 175.30 172.96 3e1f s ALA 311 N 1.02 3.35 -0.22 6.12 0.00 -0.15 -0.15 121.76 131.74 3e1f s ALA 311 Ca -0.02 -0.97 -0.00 0.00 0.00 0.00 0.00 51.96 50.97 3e1f s ALA 311 Cb -0.14 -2.11 0.02 0.00 0.00 0.00 0.00 23.12 20.88 3e1f s ALA 311 CO -0.06 -0.24 -0.12 0.08 0.00 0.00 0.00 175.76 175.42 3e1f s VAL 312 N 1.15 2.51 -0.34 0.00 1.01 -0.69 -1.60 120.40 122.44 3e1f s VAL 312 Ca 0.05 -0.98 -0.15 0.00 0.00 0.00 0.00 61.98 60.90 3e1f s VAL 312 Cb -0.14 -2.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 3e1f s VAL 312 CO 0.04 0.35 0.37 -0.69 0.00 0.00 0.00 175.10 175.17 3e1f s VAL 313 N 1.31 5.16 -0.19 2.92 1.01 0.37 -2.30 120.40 128.69 3e1f s VAL 313 Ca 0.02 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.03 3e1f s VAL 313 Cb -0.15 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 3e1f s VAL 313 CO -0.08 -0.09 -0.04 -1.61 0.00 0.00 0.00 175.10 173.27 3e1f s GLU 314 N 2.03 3.50 -0.35 2.72 2.02 -0.93 0.05 118.70 127.74 3e1f s GLU 314 Ca 0.12 -0.59 -0.13 0.00 0.02 0.00 0.00 54.97 54.39 3e1f s GLU 314 Cb -0.16 -2.95 -0.01 0.00 0.10 0.00 0.00 34.13 31.10 3e1f s GLU 314 CO 0.12 0.01 0.27 -1.17 0.02 0.00 0.00 175.26 174.50 3e1f s LEU 315 N 0.95 4.57 0.00 1.80 2.96 0.14 -1.75 118.68 127.36 3e1f s LEU 315 Ca -0.00 -0.44 0.00 0.00 -0.22 0.00 0.00 54.13 53.47 3e1f s LEU 315 Cb -0.15 -2.17 -0.00 0.00 0.50 0.00 0.00 46.19 44.37 3e1f s LEU 315 CO 0.01 -0.28 0.19 0.00 -1.32 0.00 0.00 176.35 174.95 3e1f n HIS 316 N 5.16 -0.73 -4.06 5.38 1.44 -0.34 0.11 115.22 122.17 3e1f n HIS 316 Ca -0.12 -1.11 -0.22 0.00 -2.01 0.00 0.00 57.72 54.26 3e1f n HIS 316 Cb 0.49 0.21 -0.04 0.00 0.12 0.00 0.00 29.99 30.78 3e1f n HIS 316 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 3e1f s THR 317 N -2.60 4.72 0.44 0.61 -4.23 0.00 -0.13 115.64 114.46 3e1f s THR 317 Ca 0.14 -1.23 0.13 0.00 -1.18 0.00 0.00 61.69 59.55 3e1f s THR 317 Cb -0.00 -3.54 0.31 0.00 1.34 0.00 0.00 72.50 70.60 3e1f s THR 317 CO 0.10 -0.32 2.02 0.00 -0.54 0.00 0.00 174.62 175.88 3e1f h ALA 318 N 1.48 1.95 0.00 3.99 0.00 0.19 -0.53 119.26 126.35 3e1f h ALA 318 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3e1f h ALA 318 Cb 1.23 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3e1f h ALA 318 CO 0.61 -0.04 0.00 -0.40 0.00 0.00 0.00 179.25 179.42 3e1f n ASP 319 N -4.47 0.00 0.00 0.00 3.85 -1.26 -4.84 116.55 109.82 3e1f n ASP 319 Ca 0.07 -1.45 0.00 0.00 -0.71 0.00 0.00 54.79 52.70 3e1f n ASP 319 Cb 0.27 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.04 3e1f n ASP 319 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3e1f n GLY 320 N 0.25 0.75 3.65 6.12 0.00 -0.21 -5.06 105.19 110.70 3e1f n GLY 320 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3e1f n GLY 320 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3e1f s THR 321 N -2.35 4.84 0.20 2.61 2.01 -1.23 -4.82 115.64 116.90 3e1f s THR 321 Ca 0.00 1.63 -0.30 0.00 0.31 0.00 0.00 61.69 63.33 3e1f s THR 321 Cb 0.00 -4.14 -0.09 0.00 0.01 0.00 0.00 72.50 68.28 3e1f s THR 321 CO 0.00 -0.05 1.27 -0.22 -0.69 0.00 0.00 174.62 174.93 3e1f s LEU 322 N 2.63 4.43 -0.24 4.42 2.96 -1.26 -0.82 118.68 130.80 3e1f s LEU 322 Ca 0.37 2.36 -0.01 0.00 -0.22 0.00 0.00 54.13 56.63 3e1f s LEU 322 Cb -0.16 -3.61 -0.15 0.00 0.50 0.00 0.00 46.19 42.77 3e1f s LEU 322 CO 0.09 -0.47 -0.24 -0.38 -1.32 0.00 0.00 176.35 174.03 3e1f n ILE 323 N 2.44 1.38 -3.63 6.68 5.41 0.30 -4.93 119.36 127.02 3e1f n ILE 323 Ca 0.05 -0.49 -0.03 0.00 1.00 0.00 0.00 62.75 63.28 3e1f n ILE 323 Cb 0.43 -1.45 -0.03 0.00 -0.71 0.00 0.00 39.64 37.89 3e1f n ILE 323 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 3e1f s GLU 324 N -2.48 0.14 0.00 0.38 2.12 -0.75 -4.89 118.70 113.23 3e1f s GLU 324 Ca -0.33 -0.02 0.00 0.00 0.36 0.00 0.00 54.97 54.98 3e1f s GLU 324 Cb 0.09 0.06 -0.00 0.00 0.26 0.00 0.00 34.13 34.55 3e1f s GLU 324 CO 0.53 -0.05 -0.02 0.00 -0.54 0.00 0.00 175.26 175.18 3e1f s ALA 325 N -1.72 0.12 0.21 6.30 0.00 -0.42 0.28 121.76 126.52 3e1f s ALA 325 Ca 0.09 -0.11 0.08 0.00 0.00 0.00 0.00 51.96 52.03 3e1f s ALA 325 Cb -0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.05 3e1f s ALA 325 CO -0.05 0.01 -0.15 -1.21 0.00 0.00 0.00 175.76 174.36 3e1f s GLU 326 N -0.17 1.36 0.31 0.00 0.41 0.11 -1.72 118.70 119.00 3e1f s GLU 326 Ca -0.01 -1.59 -0.15 0.00 -0.41 0.00 0.00 54.97 52.81 3e1f s GLU 326 Cb -0.01 -1.20 0.02 0.00 -1.78 0.00 0.00 34.13 31.16 3e1f s GLU 326 CO -0.00 0.21 0.66 0.00 -0.49 0.00 0.00 175.26 175.64 3e1f s ALA 327 N -2.83 -0.63 0.04 5.21 0.00 -1.26 0.14 121.76 122.43 3e1f s ALA 327 Ca 0.22 -0.71 -0.27 0.00 0.00 0.00 0.00 51.96 51.20 3e1f s ALA 327 Cb -0.02 0.88 0.09 0.00 0.00 0.00 0.00 23.12 24.07 3e1f s ALA 327 CO 0.08 -0.95 0.79 0.00 0.00 0.00 0.00 175.76 175.68 3e1f s ASP 329 N -2.52 7.38 -0.04 0.00 1.01 -1.26 -0.98 116.67 120.25 3e1f s ASP 329 Ca 0.03 1.80 0.06 0.00 0.71 0.00 0.00 52.55 55.16 3e1f s ASP 329 Cb -0.01 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.34 3e1f s ASP 329 CO -0.10 0.01 -0.24 -0.69 0.21 0.00 0.00 175.17 174.36 3e1f s VAL 330 N -1.49 1.96 -0.22 -1.27 1.01 0.86 -4.75 120.40 116.49 3e1f s VAL 330 Ca 0.47 -1.03 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3e1f s VAL 330 Cb -0.20 -1.65 0.05 0.00 0.00 0.00 0.00 36.38 34.58 3e1f s VAL 330 CO 0.25 0.55 -0.09 -0.83 0.00 0.00 0.00 175.10 174.98 3e1f s GLY 331 N -0.27 1.36 -0.46 4.51 0.00 -1.26 0.13 107.32 111.32 3e1f s GLY 331 Ca 0.00 -1.37 -0.28 0.00 0.00 0.00 0.00 44.72 43.07 3e1f s GLY 331 CO 0.02 0.76 1.69 -1.36 0.00 0.00 0.00 173.10 174.21 3e1f s PHE 332 N 1.33 1.94 -0.07 1.90 0.40 -1.26 -4.74 117.98 117.49 3e1f s PHE 332 Ca -0.04 0.66 -0.20 0.00 -0.60 0.00 0.00 56.93 56.74 3e1f s PHE 332 Cb -0.18 -4.19 0.04 0.00 0.51 0.00 0.00 43.02 39.20 3e1f s PHE 332 CO -0.07 -2.45 0.46 -0.98 0.70 0.00 0.00 175.22 172.88 3e1f s ARG 333 N 5.90 0.75 -0.15 0.44 3.03 -1.26 0.69 118.95 128.36 3e1f s ARG 333 Ca 0.69 0.17 0.02 0.00 2.03 0.00 0.00 55.73 58.64 3e1f s ARG 333 Cb -0.16 0.35 0.01 0.00 -1.03 0.00 0.00 34.95 34.12 3e1f s ARG 333 CO 0.29 -0.19 -0.21 -2.00 -1.13 0.00 0.00 175.30 172.05 3e1f s GLU 334 N -0.86 3.04 -0.19 3.89 2.12 -1.26 -4.90 118.70 120.54 3e1f s GLU 334 Ca -0.09 -0.84 -0.02 0.00 0.36 0.00 0.00 54.97 54.37 3e1f s GLU 334 Cb -0.03 -2.47 -0.01 0.00 0.26 0.00 0.00 34.13 31.88 3e1f s GLU 334 CO 0.05 -0.03 -0.08 0.08 -0.54 0.00 0.00 175.26 174.74 3e1f s VAL 335 N 0.86 3.17 -0.19 3.70 1.01 -1.26 0.18 120.40 127.87 3e1f s VAL 335 Ca -0.06 -0.58 -0.23 0.00 0.00 0.00 0.00 61.98 61.11 3e1f s VAL 335 Cb -0.15 -2.40 0.06 0.00 0.00 0.00 0.00 36.38 33.89 3e1f s VAL 335 CO -0.03 0.47 0.62 0.00 0.00 0.00 0.00 175.10 176.16 3e1f s ARG 336 N 1.09 0.80 -0.35 2.72 1.70 -0.42 -4.65 118.95 119.84 3e1f s ARG 336 Ca 0.01 0.70 -0.16 0.00 -0.47 0.00 0.00 55.73 55.81 3e1f s ARG 336 Cb -0.15 0.38 -0.01 0.00 -0.57 0.00 0.00 34.95 34.61 3e1f s ARG 336 CO -0.02 -0.14 0.41 0.42 -1.08 0.00 0.00 175.30 174.89 3e1f s ILE 337 N -0.05 5.12 -0.06 4.99 1.01 -1.26 0.07 121.20 131.03 3e1f s ILE 337 Ca -0.03 0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.74 3e1f s ILE 337 Cb -0.04 -3.87 0.02 0.00 0.01 0.00 0.00 42.46 38.59 3e1f s ILE 337 CO 0.03 -0.14 -0.05 -0.70 0.00 0.00 0.00 174.94 174.08 3e1f s GLU 338 N 2.12 0.93 -1.32 2.79 2.12 0.65 -4.82 118.70 121.18 3e1f s GLU 338 Ca 0.14 -0.11 -0.06 0.00 0.36 0.00 0.00 54.97 55.29 3e1f s GLU 338 Cb -0.16 -0.97 0.01 0.00 0.26 0.00 0.00 34.13 33.27 3e1f s GLU 338 CO 0.12 -0.12 1.10 -1.71 -0.54 0.00 0.00 175.26 174.12 3e1f n ASN 339 N 4.25 -4.79 0.00 -1.70 5.15 -1.26 -2.22 115.26 114.68 3e1f n ASN 339 Ca -0.21 -0.59 0.00 0.00 -0.60 0.00 0.00 54.58 53.18 3e1f n ASN 339 Cb 0.51 -4.97 0.00 0.00 -0.53 0.00 0.00 39.78 34.79 3e1f n ASN 339 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3e1f n GLY 340 N -1.71 1.72 3.43 8.20 0.00 -1.25 -5.02 105.19 110.56 3e1f n GLY 340 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 3e1f n GLY 340 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3e1f s LEU 341 N 0.00 2.55 -0.44 0.99 1.43 -0.94 -2.80 118.68 119.47 3e1f s LEU 341 Ca 0.00 -0.31 -0.26 0.00 -1.03 0.00 0.00 54.13 52.53 3e1f s LEU 341 Cb 0.00 -1.50 0.02 0.00 0.03 0.00 0.00 46.19 44.75 3e1f s LEU 341 CO 0.00 0.32 0.98 -0.22 0.23 0.00 0.00 176.35 177.66 3e1f s LEU 342 N -0.86 3.92 -0.14 1.79 2.96 -1.26 -0.25 118.68 124.84 3e1f s LEU 342 Ca 0.12 0.33 -0.05 0.00 -0.22 0.00 0.00 54.13 54.31 3e1f s LEU 342 Cb -0.10 -3.30 -0.04 0.00 0.50 0.00 0.00 46.19 43.25 3e1f s LEU 342 CO 0.01 -1.04 0.03 -0.76 -1.32 0.00 0.00 176.35 173.27 3e1f s LEU 343 N 3.84 3.68 -0.28 -0.68 1.43 0.11 -2.17 118.68 124.61 3e1f s LEU 343 Ca 0.40 0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 53.60 3e1f s LEU 343 Cb -0.10 -1.89 0.05 0.00 0.03 0.00 0.00 46.19 44.28 3e1f s LEU 343 CO 0.25 0.27 -0.04 -0.22 0.23 0.00 0.00 176.35 176.84 3e1f s LEU 344 N -0.24 3.62 -1.34 1.79 1.98 0.11 -1.31 118.68 123.29 3e1f s LEU 344 Ca 0.07 -1.20 -0.04 0.00 -2.89 0.00 0.00 54.13 50.06 3e1f s LEU 344 Cb -0.12 -1.66 0.02 0.00 0.66 0.00 0.00 46.19 45.09 3e1f s LEU 344 CO 0.02 -0.21 0.89 0.59 -1.89 0.00 0.00 176.35 175.75 3e1f n ASN 345 N 4.59 -2.89 0.00 3.68 3.02 0.13 -1.95 115.26 121.84 3e1f n ASN 345 Ca -0.14 -0.73 0.00 0.00 -0.03 0.00 0.00 54.58 53.68 3e1f n ASN 345 Cb 0.44 -4.38 0.00 0.00 -0.61 0.00 0.00 39.78 35.23 3e1f n ASN 345 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3e1f n GLY 346 N -1.57 2.87 3.78 7.41 0.00 -1.26 -5.00 105.19 111.42 3e1f n GLY 346 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 3e1f n GLY 346 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3e1f s LYS 347 N 0.00 3.11 -0.17 1.61 -0.14 -0.82 -4.96 119.74 118.36 3e1f s LYS 347 Ca 0.00 -0.44 -0.29 0.00 -1.36 0.00 0.00 55.97 53.88 3e1f s LYS 347 Cb 0.00 -2.89 -0.01 0.00 -1.68 0.00 0.00 37.83 33.24 3e1f s LYS 347 CO 0.00 0.67 1.27 -1.25 -0.76 0.00 0.00 175.35 175.27 3e1f s PRO 348 N -1.57 4.23 0.71 -1.68 0.04 -1.26 0.10 135.00 135.57 3e1f s PRO 348 Ca 0.21 1.66 -0.11 0.00 0.04 0.00 0.00 61.00 62.80 3e1f s PRO 348 Cb -0.12 -3.77 0.02 0.00 0.04 0.00 0.00 34.50 30.67 3e1f s PRO 348 CO 0.12 -0.72 1.07 -0.51 0.04 0.00 0.00 177.00 177.00 3e1f s LEU 349 N 3.52 3.01 -0.35 -3.56 1.43 -0.92 -4.96 118.68 116.86 3e1f s LEU 349 Ca 0.55 1.52 -0.01 0.00 -1.03 0.00 0.00 54.13 55.16 3e1f s LEU 349 Cb -0.22 -4.35 0.12 0.00 0.03 0.00 0.00 46.19 41.78 3e1f s LEU 349 CO 0.15 -1.52 0.18 -0.22 0.23 0.00 0.00 176.35 175.17 3e1f s LEU 350 N -5.57 1.45 -0.41 1.79 2.96 -1.26 -4.73 118.68 112.91 3e1f s LEU 350 Ca 0.58 -1.96 -0.28 0.00 -0.22 0.00 0.00 54.13 52.25 3e1f s LEU 350 Cb -0.14 -0.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.93 3e1f s LEU 350 CO 0.55 -0.35 1.90 -0.63 -1.32 0.00 0.00 176.35 176.49 3e1f s ILE 351 N 1.27 3.37 -1.12 6.68 -1.09 0.77 -4.90 121.20 126.18 3e1f s ILE 351 Ca 0.14 0.33 -0.09 0.00 -2.23 0.00 0.00 60.65 58.81 3e1f s ILE 351 Cb -0.21 -3.63 0.28 0.00 -1.58 0.00 0.00 42.46 37.32 3e1f s ILE 351 CO -0.13 -0.48 1.20 0.54 -1.23 0.00 0.00 174.94 174.84 3e1f n ARG 352 N 8.70 3.67 -4.21 2.79 1.74 -1.26 -2.02 116.66 126.07 3e1f n ARG 352 Ca 0.24 -4.42 -0.28 0.00 -0.77 0.00 0.00 57.85 52.61 3e1f n ARG 352 Cb 0.49 -2.58 -0.04 0.00 -1.02 0.00 0.00 32.46 29.31 3e1f n ARG 352 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3e1f s GLY 353 N 0.97 2.59 -0.02 -0.13 0.00 -0.70 -0.23 107.32 109.79 3e1f s GLY 353 Ca 0.32 -1.06 -0.18 0.00 0.00 0.00 0.00 44.72 43.79 3e1f s GLY 353 CO -0.05 -2.02 0.39 0.54 0.00 0.00 0.00 173.10 171.96 3e1f s VAL 354 N -2.79 0.04 0.14 1.40 0.11 -0.99 -1.02 120.40 117.29 3e1f s VAL 354 Ca 0.25 -0.37 -0.23 0.00 -2.93 0.00 0.00 61.98 58.70 3e1f s VAL 354 Cb -0.00 -0.70 -0.08 0.00 -1.53 0.00 0.00 36.38 34.07 3e1f s VAL 354 CO 0.15 -0.20 0.70 0.20 -3.33 0.00 0.00 175.10 172.62 3e1f s ASN 355 N -1.30 7.27 -0.18 3.54 0.01 0.38 -1.69 114.94 122.96 3e1f s ASN 355 Ca -0.13 1.51 -0.05 0.00 -0.71 0.00 0.00 52.86 53.48 3e1f s ASN 355 Cb -0.04 -2.45 0.06 0.00 0.41 0.00 0.00 41.25 39.23 3e1f s ASN 355 CO 0.06 0.23 0.08 -0.60 -1.51 0.00 0.00 177.10 175.35 3e1f s ARG 356 N -1.16 0.18 0.39 -0.60 3.52 -0.99 -0.45 118.95 119.85 3e1f s ARG 356 Ca 0.34 -0.16 -0.23 0.00 -0.13 0.00 0.00 55.73 55.55 3e1f s ARG 356 Cb -0.22 -1.87 -0.11 0.00 -1.56 0.00 0.00 34.95 31.19 3e1f s ARG 356 CO 0.24 -0.67 0.94 -1.01 -0.81 0.00 0.00 175.30 173.99 3e1f s HIS 357 N 2.08 3.44 -0.73 5.12 3.76 -1.26 -4.23 115.29 123.46 3e1f s HIS 357 Ca 0.02 1.66 -0.24 0.00 -0.15 0.00 0.00 55.06 56.34 3e1f s HIS 357 Cb -0.16 -2.87 0.05 0.00 1.11 0.00 0.00 32.58 30.71 3e1f s HIS 357 CO -0.09 0.00 1.14 -1.21 -0.85 0.00 0.00 174.74 173.73 3e1f s GLU 358 N -2.80 3.20 -0.02 1.40 2.02 -1.26 -4.91 118.70 116.34 3e1f s GLU 358 Ca 0.58 -0.65 0.01 0.00 0.02 0.00 0.00 54.97 54.93 3e1f s GLU 358 Cb -0.12 -4.32 0.01 0.00 0.10 0.00 0.00 34.13 29.80 3e1f s GLU 358 CO 0.17 -1.99 -0.03 -1.58 0.02 0.00 0.00 175.26 171.85 3e1f s HIS 359 N 4.78 0.39 -0.07 1.61 2.46 -1.26 -4.54 115.29 118.66 3e1f s HIS 359 Ca 0.30 -0.06 0.02 0.00 0.47 0.00 0.00 55.06 55.79 3e1f s HIS 359 Cb -0.11 -0.35 0.01 0.00 -0.13 0.00 0.00 32.58 32.00 3e1f s HIS 359 CO 0.10 -0.08 -0.12 -1.58 -2.47 0.00 0.00 174.74 170.59 3e1f s HIS 360 N 0.46 1.50 0.47 3.88 2.46 0.88 -5.01 115.29 119.93 3e1f s HIS 360 Ca -0.05 -0.59 0.36 0.00 0.47 0.00 0.00 55.06 55.25 3e1f s HIS 360 Cb -0.08 -1.12 1.98 0.00 -0.13 0.00 0.00 32.58 33.23 3e1f s HIS 360 CO -0.01 -0.32 2.11 -1.00 -2.47 0.00 0.00 174.74 173.05 3e1f h PRO 361 N 7.16 0.00 0.00 2.88 0.13 -1.77 -1.78 132.00 138.62 3e1f h PRO 361 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3e1f h PRO 361 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3e1f h PRO 361 CO 0.47 0.00 -0.93 1.28 -0.23 0.00 0.00 178.00 178.58 3e1f n LEU 362 N -2.84 0.32 -1.13 1.56 4.77 -1.26 -1.68 117.00 116.75 3e1f n LEU 362 Ca -0.02 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.07 3e1f n LEU 362 Cb 0.13 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.49 3e1f n LEU 362 CO 0.16 0.05 0.73 1.41 -1.33 0.00 0.00 177.39 178.42 3e1f n HIS 363 N -1.96 0.66 0.00 -1.77 8.25 -1.19 -4.99 115.22 114.21 3e1f n HIS 363 Ca 0.00 -0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.13 3e1f n HIS 363 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 3e1f n HIS 363 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3e1f n GLY 364 N 1.49 2.97 1.51 -1.41 0.00 -0.68 -2.66 105.19 106.41 3e1f n GLY 364 Ca 0.20 -0.18 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 3e1f n GLY 364 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3e1f n GLN 365 N 11.33 2.32 -3.62 1.61 6.02 -1.26 -0.08 117.38 133.69 3e1f n GLN 365 Ca 0.00 -3.42 -0.38 0.00 -0.01 0.00 0.00 57.00 53.18 3e1f n GLN 365 Cb 0.00 -1.98 -0.11 0.00 1.02 0.00 0.00 30.24 29.17 3e1f n GLN 365 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3e1f s VAL 366 N -3.75 4.99 0.31 5.09 1.01 -1.09 -4.90 120.40 122.07 3e1f s VAL 366 Ca 0.49 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.32 3e1f s VAL 366 Cb 0.42 -3.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 3e1f s VAL 366 CO 0.00 0.18 0.60 -0.04 0.00 0.00 0.00 175.10 175.84 3e1f s MET 367 N 1.70 3.67 0.02 2.72 -1.94 -1.26 -4.78 119.30 119.43 3e1f s MET 367 Ca 0.06 0.11 -0.04 0.00 -1.71 0.00 0.00 55.69 54.11 3e1f s MET 367 Cb -0.16 -2.59 -0.01 0.00 2.01 0.00 0.00 34.83 34.07 3e1f s MET 367 CO 0.09 0.16 0.07 0.16 -0.01 0.00 0.00 175.02 175.48 3e1f s ASP 368 N -3.16 0.17 0.22 3.03 -4.77 -1.26 -5.00 116.67 105.90 3e1f s ASP 368 Ca 0.46 -0.47 -0.10 0.00 -3.30 0.00 0.00 52.55 49.14 3e1f s ASP 368 Cb -0.11 0.18 0.32 0.00 -1.09 0.00 0.00 42.92 42.23 3e1f s ASP 368 CO 0.30 -0.42 1.68 -0.08 0.70 0.00 0.00 175.17 177.35 3e1f h GLU 369 N 4.06 0.17 -0.27 2.11 4.81 -1.99 -2.42 114.58 121.05 3e1f h GLU 369 Ca -0.32 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 58.94 3e1f h GLU 369 Cb 1.19 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 30.49 3e1f h GLU 369 CO 0.46 0.11 0.01 0.37 -0.73 0.00 0.00 179.01 179.23 3e1f h GLN 370 N 0.17 0.09 -0.87 1.92 4.15 -1.99 0.40 115.11 118.98 3e1f h GLN 370 Ca 0.33 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.72 3e1f h GLN 370 Cb 0.54 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.16 3e1f h GLN 370 CO -0.49 0.06 0.45 1.15 -1.93 0.00 0.00 178.83 178.07 3e1f h THR 371 N 0.10 1.26 0.93 2.39 2.02 -1.90 -1.64 112.91 116.07 3e1f h THR 371 Ca 0.13 -0.69 -0.05 0.00 0.77 0.00 0.00 66.41 66.57 3e1f h THR 371 Cb 0.16 0.11 0.01 0.00 -1.74 0.00 0.00 68.15 66.69 3e1f h THR 371 CO -0.20 0.30 -0.45 0.24 0.37 0.00 0.00 175.52 175.78 3e1f h MET 372 N 1.23 -1.20 -0.96 6.66 2.86 -0.91 -1.88 114.93 120.73 3e1f h MET 372 Ca 0.30 0.08 0.17 0.00 -2.06 0.00 0.00 59.70 58.19 3e1f h MET 372 Cb 0.08 0.27 -0.10 0.00 0.06 0.00 0.00 31.60 31.91 3e1f h MET 372 CO -0.04 -0.80 0.56 0.28 1.06 0.00 0.00 176.91 177.97 3e1f h VAL 373 N -1.29 0.74 0.67 -2.22 2.07 -0.87 -0.12 116.25 115.23 3e1f h VAL 373 Ca -0.13 -0.26 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 3e1f h VAL 373 Cb 0.96 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3e1f h VAL 373 CO 0.21 0.14 -0.48 -0.61 0.02 0.00 0.00 177.57 176.85 3e1f h GLN 374 N 0.76 -1.06 -0.49 1.57 4.15 -1.17 -0.08 115.11 118.79 3e1f h GLN 374 Ca 0.54 0.07 0.10 0.00 0.77 0.00 0.00 58.65 60.13 3e1f h GLN 374 Cb 0.77 0.24 -0.09 0.00 0.21 0.00 0.00 27.48 28.61 3e1f h GLN 374 CO -0.36 -0.70 -0.13 -0.44 -1.93 0.00 0.00 178.83 175.27 3e1f h ASP 375 N -1.10 -0.47 -0.81 -0.69 3.32 -0.48 -1.04 116.42 115.14 3e1f h ASP 375 Ca -0.09 0.15 0.10 0.00 0.02 0.00 0.00 57.03 57.21 3e1f h ASP 375 Cb 0.90 0.31 -0.08 0.00 0.22 0.00 0.00 39.33 40.69 3e1f h ASP 375 CO 0.04 -0.17 0.45 0.40 -1.72 0.00 0.00 179.24 178.25 3e1f h ILE 376 N -0.01 0.87 -0.16 0.35 2.04 -0.76 0.65 117.51 120.50 3e1f h ILE 376 Ca 0.23 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 3e1f h ILE 376 Cb 0.36 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 3e1f h ILE 376 CO -0.51 0.13 0.01 -0.07 0.00 0.00 0.00 178.15 177.72 3e1f h LEU 377 N 0.73 0.26 -0.36 1.44 3.38 0.18 -1.86 115.31 119.09 3e1f h LEU 377 Ca 0.40 -0.28 0.06 0.00 0.09 0.00 0.00 57.88 58.14 3e1f h LEU 377 Cb 0.42 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 3e1f h LEU 377 CO -0.27 0.48 0.06 -0.07 0.09 0.00 0.00 178.44 178.73 3e1f h LEU 378 N 0.03 -0.02 0.36 1.67 3.38 -0.59 0.22 115.31 120.36 3e1f h LEU 378 Ca 0.05 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3e1f h LEU 378 Cb 0.34 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3e1f h LEU 378 CO 0.01 0.03 -0.43 0.24 0.09 0.00 0.00 178.44 178.37 3e1f h MET 379 N 0.17 -0.80 -0.46 1.13 2.86 -0.79 -0.91 114.93 116.14 3e1f h MET 379 Ca 0.17 0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.86 3e1f h MET 379 Cb 0.21 0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 3e1f h MET 379 CO -0.24 -0.53 0.28 0.87 1.06 0.00 0.00 176.91 178.35 3e1f h LYS 380 N -0.83 0.62 0.00 1.72 1.57 -1.10 -0.73 116.57 117.82 3e1f h LYS 380 Ca -0.03 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.67 3e1f h LYS 380 Cb 0.75 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 3e1f h LYS 380 CO -0.11 0.44 -0.17 1.96 -0.57 0.00 0.00 179.45 181.00 3e1f h GLN 381 N 0.63 0.00 -0.75 3.15 4.20 -0.06 -2.35 115.11 119.93 3e1f h GLN 381 Ca 0.17 0.00 -0.40 0.00 0.06 0.00 0.00 58.65 58.48 3e1f h GLN 381 Cb -0.02 0.00 -0.24 0.00 0.30 0.00 0.00 27.48 27.52 3e1f h GLN 381 CO -0.03 0.17 0.37 0.09 -0.67 0.00 0.00 178.83 178.75 3e1f n ASN 382 N -3.62 3.45 -3.73 1.46 3.02 -0.39 -4.95 115.26 110.50 3e1f n ASN 382 Ca -0.01 -3.69 -0.24 0.00 -0.03 0.00 0.00 54.58 50.60 3e1f n ASN 382 Cb 0.30 -0.76 0.04 0.00 -0.61 0.00 0.00 39.78 38.75 3e1f n ASN 382 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3e1f n ASN 383 N -1.13 -3.32 -4.81 6.41 3.02 -0.88 -3.91 115.26 110.64 3e1f n ASN 383 Ca 0.50 -0.74 -0.31 0.00 -0.03 0.00 0.00 54.58 54.00 3e1f n ASN 383 Cb 1.38 -4.27 -0.06 0.00 -0.61 0.00 0.00 39.78 36.22 3e1f n ASN 383 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3e1f s PHE 384 N -3.45 3.30 0.00 3.10 0.40 -0.58 -4.84 117.98 115.91 3e1f s PHE 384 Ca 0.32 0.16 0.00 0.00 -0.60 0.00 0.00 56.93 56.81 3e1f s PHE 384 Cb -0.15 -1.69 0.00 0.00 0.51 0.00 0.00 43.02 41.68 3e1f s PHE 384 CO 0.80 0.55 0.22 0.27 0.70 0.00 0.00 175.22 177.76 3e1f n ASN 385 N 0.65 0.35 -3.82 1.36 0.23 0.67 -4.22 115.26 110.48 3e1f n ASN 385 Ca -0.09 -1.04 -0.10 0.00 -0.53 0.00 0.00 54.58 52.82 3e1f n ASN 385 Cb 0.52 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.14 3e1f n ASN 385 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3e1f s ALA 386 N -0.04 -0.40 -0.01 -2.53 0.00 -1.12 -0.02 121.76 117.63 3e1f s ALA 386 Ca 0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 51.96 51.54 3e1f s ALA 386 Cb 0.00 0.39 0.00 0.00 0.00 0.00 0.00 23.12 23.52 3e1f s ALA 386 CO 0.00 -0.45 0.15 0.54 0.00 0.00 0.00 175.76 176.00 3e1f s VAL 387 N -3.15 0.06 -0.16 0.00 0.11 0.39 -2.36 120.40 115.30 3e1f s VAL 387 Ca -0.01 -0.53 -0.00 0.00 -2.93 0.00 0.00 61.98 58.51 3e1f s VAL 387 Cb 0.02 -0.39 -0.00 0.00 -1.53 0.00 0.00 36.38 34.47 3e1f s VAL 387 CO -0.07 -0.29 -0.14 -0.60 -3.33 0.00 0.00 175.10 170.66 3e1f s ARG 388 N -1.05 3.25 -1.12 1.54 3.52 -0.68 -1.58 118.95 122.82 3e1f s ARG 388 Ca -0.11 -0.73 -0.12 0.00 -0.13 0.00 0.00 55.73 54.64 3e1f s ARG 388 Cb -0.06 -2.65 -0.07 0.00 -1.56 0.00 0.00 34.95 30.60 3e1f s ARG 388 CO 0.01 0.02 2.28 0.00 -0.81 0.00 0.00 175.30 176.80 3e1f s SER 390 N 3.46 6.53 -0.39 0.00 1.04 -1.26 -0.52 113.70 122.56 3e1f s SER 390 Ca 0.51 1.84 0.11 0.00 0.48 0.00 0.00 55.95 58.90 3e1f s SER 390 Cb 0.13 -2.53 0.34 0.00 0.10 0.00 0.00 66.02 64.06 3e1f s SER 390 CO -0.01 -1.09 0.74 1.41 0.98 0.00 0.00 173.24 175.26 3e1f n HIS 391 N 7.82 0.54 -3.61 5.02 -0.00 -1.26 -4.15 115.22 119.58 3e1f n HIS 391 Ca 0.18 -3.82 -0.04 0.00 -0.00 0.00 0.00 57.72 54.04 3e1f n HIS 391 Cb 0.44 -0.42 -0.02 0.00 -0.00 0.00 0.00 29.99 29.99 3e1f n HIS 391 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.34 177.86 3e1f s TYR 392 N -2.46 -0.08 0.28 4.41 -0.85 0.33 -4.26 117.35 114.72 3e1f s TYR 392 Ca 0.41 0.06 -0.30 0.00 -0.52 0.00 0.00 57.07 56.71 3e1f s TYR 392 Cb 0.33 0.51 -0.12 0.00 0.38 0.00 0.00 41.96 43.06 3e1f s TYR 392 CO -0.09 -0.13 1.53 -2.30 -1.52 0.00 0.00 175.55 173.04 3e1f n PRO 393 N -0.03 2.49 -2.16 -3.49 -0.02 -0.80 -4.63 135.00 126.35 3e1f n PRO 393 Ca 0.02 0.88 -0.27 0.00 -2.02 0.00 0.00 63.50 62.12 3e1f n PRO 393 Cb 0.57 -2.62 0.06 0.00 -0.02 0.00 0.00 33.50 31.49 3e1f n PRO 393 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 3e1f s ASN 394 N 0.40 5.04 0.25 2.55 -0.87 -1.26 -4.80 114.94 116.25 3e1f s ASN 394 Ca 0.65 0.65 -0.31 0.00 -1.57 0.00 0.00 52.86 52.29 3e1f s ASN 394 Cb -0.54 -1.38 -0.13 0.00 -0.02 0.00 0.00 41.25 39.17 3e1f s ASN 394 CO 0.50 -1.48 1.34 1.57 -2.57 0.00 0.00 177.10 176.46 3e1f n HIS 395 N -2.91 2.04 -0.37 2.20 -0.00 -1.26 -4.86 115.22 110.06 3e1f n HIS 395 Ca 0.07 0.49 0.29 0.00 -0.00 0.00 0.00 57.72 58.57 3e1f n HIS 395 Cb 0.59 -2.42 0.56 0.00 -0.00 0.00 0.00 29.99 28.72 3e1f n HIS 395 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3e1f h PRO 396 N 3.74 0.25 -0.60 1.57 0.13 -1.96 -1.39 132.00 133.74 3e1f h PRO 396 Ca -0.45 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 3e1f h PRO 396 Cb 1.29 -0.06 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 3e1f h PRO 396 CO 0.72 0.16 0.19 1.25 -0.23 0.00 0.00 178.00 180.10 3e1f h LEU 397 N 0.25 0.83 -0.51 1.56 5.85 -2.01 -3.15 115.31 118.13 3e1f h LEU 397 Ca 0.71 -0.13 0.10 0.00 0.84 0.00 0.00 57.88 59.40 3e1f h LEU 397 Cb 1.97 -0.21 -0.10 0.00 0.37 0.00 0.00 40.66 42.69 3e1f h LEU 397 CO -0.41 0.78 -0.13 -0.25 -0.34 0.00 0.00 178.44 178.09 3e1f h TRP 398 N 0.87 -0.28 -0.74 1.25 2.91 -1.60 -0.72 115.95 117.65 3e1f h TRP 398 Ca 0.20 0.05 -0.01 0.00 1.13 0.00 0.00 58.89 60.26 3e1f h TRP 398 Cb 0.24 0.20 -0.04 0.00 -0.51 0.00 0.00 29.16 29.06 3e1f h TRP 398 CO 0.02 -0.22 0.43 1.88 -1.03 0.00 0.00 178.44 179.52 3e1f h TYR 399 N -0.00 0.98 -0.75 2.65 -1.99 -1.69 -0.80 116.97 115.37 3e1f h TYR 399 Ca 0.24 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.95 3e1f h TYR 399 Cb 0.37 -0.32 -0.03 0.00 2.00 0.00 0.00 36.73 38.75 3e1f h TYR 399 CO -0.43 0.66 0.38 1.15 -0.00 0.00 0.00 178.16 179.92 3e1f h THR 400 N 1.02 1.23 -0.05 -2.88 2.02 -1.23 -1.14 112.91 111.88 3e1f h THR 400 Ca 0.26 -0.62 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 3e1f h THR 400 Cb -0.02 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 66.66 3e1f h THR 400 CO -0.05 0.27 -0.01 -0.07 0.37 0.00 0.00 175.52 176.03 3e1f h LEU 401 N 1.04 0.10 -2.16 2.58 3.38 -0.50 -2.48 115.31 117.27 3e1f h LEU 401 Ca 0.26 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 57.90 3e1f h LEU 401 Cb 0.08 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 3e1f h LEU 401 CO -0.04 0.44 0.10 0.00 0.09 0.00 0.00 178.44 179.04 3e1f h ASP 403 N 0.00 -0.16 0.20 0.00 5.19 -1.01 -1.72 116.42 118.93 3e1f h ASP 403 Ca 0.06 -0.27 -0.29 0.00 -0.62 0.00 0.00 57.03 55.91 3e1f h ASP 403 Cb 0.27 0.04 0.02 0.00 0.18 0.00 0.00 39.33 39.84 3e1f h ASP 403 CO -0.00 0.20 -1.20 0.03 -3.12 0.00 0.00 179.24 175.15 3e1f h ARG 404 N -0.53 0.57 0.00 3.56 3.08 -0.83 -3.33 114.38 116.89 3e1f h ARG 404 Ca -0.02 -0.74 -0.09 0.00 0.07 0.00 0.00 59.98 59.20 3e1f h ARG 404 Cb 0.42 0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 3e1f h ARG 404 CO 0.03 1.32 -0.49 1.88 -1.07 0.00 0.00 179.97 181.64 3e1f h TYR 405 N 0.26 0.00 -0.76 3.04 0.05 -0.36 -3.45 116.97 115.75 3e1f h TYR 405 Ca -0.17 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.61 3e1f h TYR 405 Cb 1.87 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.61 3e1f h TYR 405 CO 0.10 0.40 0.00 0.41 -1.05 0.00 0.00 178.16 178.03 3e1f n GLY 406 N 1.21 -0.53 3.33 3.88 0.00 -0.77 -4.85 105.19 107.46 3e1f n GLY 406 Ca 0.01 -0.58 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 3e1f n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3e1f s LEU 407 N -0.08 -0.09 -0.04 0.99 1.43 -0.72 -4.70 118.68 115.48 3e1f s LEU 407 Ca 0.00 0.96 -0.30 0.00 -1.03 0.00 0.00 54.13 53.76 3e1f s LEU 407 Cb 0.00 1.51 -0.03 0.00 0.03 0.00 0.00 46.19 47.70 3e1f s LEU 407 CO 0.00 -0.19 1.02 -0.31 0.23 0.00 0.00 176.35 177.11 3e1f s TYR 408 N 1.13 3.55 -0.04 0.29 2.02 0.98 -4.68 117.35 120.60 3e1f s TYR 408 Ca -0.07 1.59 0.05 0.00 -0.37 0.00 0.00 57.07 58.27 3e1f s TYR 408 Cb -0.07 -3.19 -0.03 0.00 -0.40 0.00 0.00 41.96 38.27 3e1f s TYR 408 CO -0.10 -0.29 -0.16 0.08 -1.57 0.00 0.00 175.55 173.50 3e1f s VAL 409 N 1.49 2.89 -0.38 0.71 1.01 0.23 -0.46 120.40 125.89 3e1f s VAL 409 Ca 0.51 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.59 3e1f s VAL 409 Cb -0.21 -2.12 0.05 0.00 0.00 0.00 0.00 36.38 34.10 3e1f s VAL 409 CO 0.24 0.57 0.18 -0.69 0.00 0.00 0.00 175.10 175.39 3e1f s VAL 410 N -0.73 4.06 -0.28 2.92 1.01 -0.62 -1.36 120.40 125.41 3e1f s VAL 410 Ca 0.12 -1.21 -0.22 0.00 0.00 0.00 0.00 61.98 60.66 3e1f s VAL 410 Cb -0.10 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.89 3e1f s VAL 410 CO 0.01 -0.33 0.73 -0.62 0.00 0.00 0.00 175.10 174.89 3e1f s ASP 411 N 1.70 6.66 -0.16 3.32 2.15 -0.71 -1.72 116.67 127.90 3e1f s ASP 411 Ca 0.01 0.74 -0.01 0.00 0.43 0.00 0.00 52.55 53.72 3e1f s ASP 411 Cb -0.21 -2.38 -0.00 0.00 -0.30 0.00 0.00 42.92 40.02 3e1f s ASP 411 CO 0.03 -0.50 -0.13 -0.70 -0.17 0.00 0.00 175.17 173.70 3e1f s GLU 412 N 2.75 3.27 0.68 4.34 2.12 -1.26 -0.55 118.70 130.06 3e1f s GLU 412 Ca 0.30 -0.72 -0.17 0.00 0.36 0.00 0.00 54.97 54.75 3e1f s GLU 412 Cb -0.15 -2.69 -0.00 0.00 0.26 0.00 0.00 34.13 31.55 3e1f s GLU 412 CO 0.10 0.01 1.12 0.00 -0.54 0.00 0.00 175.26 175.95 3e1f n ALA 413 N 4.09 0.37 -2.41 6.30 0.00 -0.66 -1.91 120.51 126.30 3e1f n ALA 413 Ca -0.19 -0.10 -0.43 0.00 0.00 0.00 0.00 53.44 52.72 3e1f n ALA 413 Cb 0.52 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.76 3e1f n ALA 413 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3e1f n ASN 414 N -1.80 4.74 -3.46 0.00 5.15 -1.26 -4.01 115.26 114.63 3e1f n ASN 414 Ca 0.14 -2.93 -0.21 0.00 -0.60 0.00 0.00 54.58 50.98 3e1f n ASN 414 Cb 0.49 -1.66 -0.12 0.00 -0.53 0.00 0.00 39.78 37.96 3e1f n ASN 414 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3e1f s ILE 415 N 3.04 -0.28 -0.03 -1.44 1.01 -1.25 -4.75 121.20 117.49 3e1f s ILE 415 Ca 0.49 -0.54 -0.00 0.00 0.00 0.00 0.00 60.65 60.60 3e1f s ILE 415 Cb 0.06 -0.95 0.03 0.00 0.01 0.00 0.00 42.46 41.61 3e1f s ILE 415 CO 0.01 -0.53 0.01 -0.70 0.00 0.00 0.00 174.94 173.74 3e1f s GLU 416 N 2.27 0.25 -0.13 2.79 2.12 0.79 -1.11 118.70 125.68 3e1f s GLU 416 Ca 0.09 0.13 0.20 0.00 0.36 0.00 0.00 54.97 55.74 3e1f s GLU 416 Cb -0.15 -0.51 0.45 0.00 0.26 0.00 0.00 34.13 34.18 3e1f s GLU 416 CO -0.32 -0.18 1.17 0.25 -0.54 0.00 0.00 175.26 175.65 3e1f n THR 417 N 4.37 1.06 0.33 -1.70 -2.24 -0.96 -1.12 114.28 114.03 3e1f n THR 417 Ca -0.22 -2.27 0.12 0.00 -2.27 0.00 0.00 64.05 59.41 3e1f n THR 417 Cb 0.50 0.53 0.66 0.00 -2.10 0.00 0.00 70.33 69.92 3e1f n THR 417 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3e1f h GLU 418 N 1.44 0.00 0.00 -0.78 4.81 -1.15 0.16 114.58 119.06 3e1f h GLU 418 Ca -0.09 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 3e1f h GLU 418 Cb 1.52 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.89 3e1f h GLU 418 CO 0.16 0.00 -0.11 0.78 -0.73 0.00 0.00 179.01 179.11 3e1f h GLY 419 N 0.00 0.00 -1.04 1.92 0.00 -1.86 -3.46 103.07 98.63 3e1f h GLY 419 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 46.87 3e1f h GLY 419 CO 0.00 0.00 0.17 1.06 0.00 0.00 0.00 176.54 177.77 3e1f s MET 420 N -3.29 0.39 -0.17 4.80 -1.94 0.04 -4.83 119.30 114.29 3e1f s MET 420 Ca 0.05 0.77 -0.04 0.00 -1.71 0.00 0.00 55.69 54.76 3e1f s MET 420 Cb 0.07 -1.71 0.08 0.00 2.01 0.00 0.00 34.83 35.28 3e1f s MET 420 CO 0.66 -2.83 0.22 0.08 -0.01 0.00 0.00 175.02 173.14 3e1f s VAL 421 N -2.80 -0.32 0.92 -6.03 1.01 -1.26 -3.55 120.40 108.37 3e1f s VAL 421 Ca 0.66 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 62.53 3e1f s VAL 421 Cb -0.20 -0.58 0.15 0.00 0.00 0.00 0.00 36.38 35.74 3e1f s VAL 421 CO 0.59 -0.11 1.09 -2.16 0.00 0.00 0.00 175.10 174.52 3e1f s PRO 422 N 2.33 1.02 0.64 2.72 0.04 -1.26 -4.85 135.00 135.64 3e1f s PRO 422 Ca 0.05 0.74 0.27 0.00 0.04 0.00 0.00 61.00 62.10 3e1f s PRO 422 Cb -0.15 -1.79 1.44 0.00 0.04 0.00 0.00 34.50 34.04 3e1f s PRO 422 CO -0.11 -2.38 1.83 1.98 0.04 0.00 0.00 177.00 178.36 3e1f h MET 423 N -1.65 0.00 -0.48 4.56 4.05 -1.88 -0.48 114.93 119.05 3e1f h MET 423 Ca -0.51 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 58.82 3e1f h MET 423 Cb 1.30 0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 32.04 3e1f h MET 423 CO 0.55 0.00 0.08 0.27 0.23 0.00 0.00 176.91 178.04 3e1f n ASN 424 N -3.17 4.31 0.01 1.39 6.94 -1.26 -3.61 115.26 119.86 3e1f n ASN 424 Ca 0.03 -3.18 0.12 0.00 -0.02 0.00 0.00 54.58 51.53 3e1f n ASN 424 Cb 0.56 -0.65 0.56 0.00 -2.36 0.00 0.00 39.78 37.90 3e1f n ASN 424 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 3e1f h ARG 425 N 2.32 0.24 0.01 -3.83 2.43 -1.41 -2.04 114.38 112.10 3e1f h ARG 425 Ca 0.12 -0.01 -0.31 0.00 -0.81 0.00 0.00 59.98 58.96 3e1f h ARG 425 Cb 1.86 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 31.31 3e1f h ARG 425 CO 0.46 0.16 -1.71 1.28 -1.51 0.00 0.00 179.97 178.65 3e1f n LEU 426 N -4.46 1.97 0.10 3.80 4.77 -1.26 -3.92 117.00 117.99 3e1f n LEU 426 Ca 0.07 0.37 0.07 0.00 -0.03 0.00 0.00 56.01 56.48 3e1f n LEU 426 Cb 0.35 -0.93 0.35 0.00 -2.33 0.00 0.00 43.42 40.85 3e1f n LEU 426 CO 0.35 0.42 0.70 0.35 -1.33 0.00 0.00 177.39 177.87 3e1f n THR 427 N -4.29 1.39 0.61 -5.08 -2.24 -1.17 -0.70 114.28 102.79 3e1f n THR 427 Ca -0.39 0.64 0.07 0.00 -2.27 0.00 0.00 64.05 62.10 3e1f n THR 427 Cb 0.77 -1.64 0.02 0.00 -2.10 0.00 0.00 70.33 67.37 3e1f n THR 427 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3e1f n ASP 428 N -1.95 1.67 -4.57 3.42 2.03 -0.77 -1.90 116.55 114.48 3e1f n ASP 428 Ca -0.01 -1.33 -0.41 0.00 0.52 0.00 0.00 54.79 53.55 3e1f n ASP 428 Cb 0.04 0.34 -0.07 0.00 -0.72 0.00 0.00 41.12 40.71 3e1f n ASP 428 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3e1f s ASP 429 N -1.55 6.41 0.63 1.67 -1.08 0.13 -4.53 116.67 118.35 3e1f s ASP 429 Ca 0.13 0.17 0.32 0.00 -0.52 0.00 0.00 52.55 52.64 3e1f s ASP 429 Cb 0.11 -2.31 1.75 0.00 -1.46 0.00 0.00 42.92 41.01 3e1f s ASP 429 CO 0.30 -0.54 2.05 1.55 0.52 0.00 0.00 175.17 179.05 3e1f h PRO 430 N 8.40 0.00 0.00 4.34 0.13 -1.91 0.25 132.00 143.21 3e1f h PRO 430 Ca -0.27 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.84 3e1f h PRO 430 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 3e1f h PRO 430 CO 0.81 0.00 -0.10 -0.09 -0.23 0.00 0.00 178.00 178.39 3e1f h ARG 431 N 0.00 0.00 -0.28 0.86 2.43 -1.92 -2.22 114.38 113.26 3e1f h ARG 431 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3e1f h ARG 431 Cb 0.58 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 3e1f h ARG 431 CO -0.00 0.10 0.00 0.91 -1.51 0.00 0.00 179.97 179.47 3e1f n TRP 432 N -3.51 0.35 -0.30 2.20 7.02 0.07 -4.45 117.44 118.83 3e1f n TRP 432 Ca -0.02 -0.19 0.01 0.00 -1.02 0.00 0.00 57.50 56.28 3e1f n TRP 432 Cb 0.23 -0.00 0.19 0.00 -2.42 0.00 0.00 31.31 29.32 3e1f n TRP 432 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 3e1f h LEU 433 N 4.18 0.99 0.57 -0.99 5.85 -1.40 -2.54 115.31 121.96 3e1f h LEU 433 Ca 0.00 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 3e1f h LEU 433 Cb 0.93 -0.24 0.01 0.00 0.37 0.00 0.00 40.66 41.73 3e1f h LEU 433 CO 0.00 0.69 -0.27 -0.65 -0.34 0.00 0.00 178.44 177.87 3e1f h PRO 434 N 1.15 -0.74 -0.37 5.25 0.11 -1.78 0.80 132.00 136.43 3e1f h PRO 434 Ca 0.34 0.05 0.06 0.00 0.11 0.00 0.00 66.00 66.57 3e1f h PRO 434 Cb -0.05 0.17 -0.06 0.00 0.11 0.00 0.00 31.00 31.17 3e1f h PRO 434 CO -0.09 -0.46 0.02 0.00 -0.21 0.00 0.00 178.00 177.25 3e1f h ALA 435 N -0.46 0.35 0.28 -0.75 0.00 -1.70 -2.50 119.26 114.49 3e1f h ALA 435 Ca -0.08 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3e1f h ALA 435 Cb 0.62 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3e1f h ALA 435 CO 0.13 -0.38 -0.15 0.52 0.00 0.00 0.00 179.25 179.37 3e1f h MET 436 N 0.12 -0.38 -0.96 0.00 2.86 -1.44 -3.03 114.93 112.09 3e1f h MET 436 Ca 0.18 0.03 0.17 0.00 -2.06 0.00 0.00 59.70 58.01 3e1f h MET 436 Cb 0.24 0.09 -0.17 0.00 0.06 0.00 0.00 31.60 31.82 3e1f h MET 436 CO -0.29 -0.26 -0.31 0.45 1.06 0.00 0.00 176.91 177.56 3e1f n SER 437 N -5.27 -0.50 0.25 1.22 2.88 0.27 -0.26 113.62 112.22 3e1f n SER 437 Ca -0.10 1.66 0.11 0.00 -1.33 0.00 0.00 58.87 59.21 3e1f n SER 437 Cb 0.18 -0.43 0.65 0.00 -0.75 0.00 0.00 64.21 63.86 3e1f n SER 437 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 3e1f h GLU 438 N 0.00 0.00 0.00 -1.46 5.08 -1.35 0.68 114.58 117.53 3e1f h GLU 438 Ca 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 3e1f h GLU 438 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3e1f h GLU 438 CO -0.97 0.15 -0.05 0.00 -1.00 0.00 0.00 179.01 177.14 3e1f h ARG 439 N 0.00 0.00 0.00 2.33 3.08 -0.59 -2.73 114.38 116.47 3e1f h ARG 439 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 3e1f h ARG 439 Cb 0.39 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3e1f h ARG 439 CO 0.02 0.00 -1.23 0.28 -1.07 0.00 0.00 179.97 177.97 3e1f n VAL 440 N -2.49 1.49 -0.25 2.04 0.31 -0.81 -4.09 118.33 114.53 3e1f n VAL 440 Ca 0.05 0.03 -0.03 0.00 -0.01 0.00 0.00 64.34 64.38 3e1f n VAL 440 Cb 0.46 -2.23 0.08 0.00 -0.91 0.00 0.00 33.84 31.25 3e1f n VAL 440 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 3e1f h THR 441 N -1.00 1.08 0.00 2.52 1.35 -1.03 -2.08 112.91 113.76 3e1f h THR 441 Ca -0.19 -0.29 -0.05 0.00 -0.55 0.00 0.00 66.41 65.33 3e1f h THR 441 Cb 1.04 0.15 -0.01 0.00 -1.73 0.00 0.00 68.15 67.61 3e1f h THR 441 CO -0.11 0.16 -0.22 0.03 -0.25 0.00 0.00 175.52 175.12 3e1f h ARG 442 N 0.85 0.00 -0.06 4.72 3.08 -1.70 -0.18 114.38 121.09 3e1f h ARG 442 Ca 0.29 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.28 3e1f h ARG 442 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3e1f h ARG 442 CO -0.12 0.22 -0.20 1.98 -1.07 0.00 0.00 179.97 180.78 3e1f h MET 443 N 0.00 0.25 -0.04 0.04 4.05 -1.58 -2.61 114.93 115.04 3e1f h MET 443 Ca -0.00 -0.18 0.00 0.00 -0.28 0.00 0.00 59.70 59.24 3e1f h MET 443 Cb 0.62 0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 31.45 3e1f h MET 443 CO 0.03 0.80 0.03 0.28 0.23 0.00 0.00 176.91 178.28 3e1f h VAL 444 N -0.26 1.03 0.00 -5.77 2.07 -1.01 -0.63 116.25 111.67 3e1f h VAL 444 Ca -0.01 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 3e1f h VAL 444 Cb 0.82 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 3e1f h VAL 444 CO 0.04 0.02 -0.03 1.56 0.02 0.00 0.00 177.57 179.18 3e1f h GLN 445 N 0.03 0.00 0.00 1.57 4.20 -1.11 -0.59 115.11 119.21 3e1f h GLN 445 Ca 0.01 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.67 3e1f h GLN 445 Cb 0.01 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 3e1f h GLN 445 CO -0.00 0.03 -0.31 -0.09 -0.67 0.00 0.00 178.83 177.79 3e1f h ARG 446 N 0.00 0.00 -0.01 1.46 2.43 -1.00 -2.89 114.38 114.37 3e1f h ARG 446 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3e1f h ARG 446 Cb 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3e1f h ARG 446 CO 0.00 0.75 -0.44 -0.25 -1.51 0.00 0.00 179.97 178.53 3e1f n ASP 447 N -4.60 1.48 0.26 -3.80 8.00 -0.30 -3.99 116.55 113.59 3e1f n ASP 447 Ca -0.13 -1.17 0.09 0.00 0.71 0.00 0.00 54.79 54.29 3e1f n ASP 447 Cb 0.42 0.38 0.50 0.00 -0.02 0.00 0.00 41.12 42.40 3e1f n ASP 447 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 3e1f h ARG 448 N 1.65 0.00 0.00 -1.24 0.11 -1.29 -1.38 114.38 112.22 3e1f h ARG 448 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3e1f h ARG 448 Cb 0.63 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.71 3e1f h ARG 448 CO 0.00 0.00 -0.70 0.09 0.10 0.00 0.00 179.97 179.46 3e1f n ASN 449 N -2.45 0.61 -4.68 0.08 3.02 -1.26 -4.88 115.26 105.70 3e1f n ASN 449 Ca -0.01 -0.16 -0.42 0.00 -0.03 0.00 0.00 54.58 53.95 3e1f n ASN 449 Cb 0.44 0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 39.99 3e1f n ASN 449 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3e1f s HIS 450 N -3.10 2.87 0.32 3.10 3.76 -0.52 -4.88 115.29 116.83 3e1f s HIS 450 Ca 0.07 0.91 0.15 0.00 -0.15 0.00 0.00 55.06 56.05 3e1f s HIS 450 Cb 0.15 -3.58 0.74 0.00 1.11 0.00 0.00 32.58 31.00 3e1f s HIS 450 CO 0.74 -2.10 1.80 -1.00 -0.85 0.00 0.00 174.74 173.33 3e1f h PRO 451 N 7.96 0.00 0.00 8.40 0.13 -1.88 -2.83 132.00 143.77 3e1f h PRO 451 Ca -0.34 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 3e1f h PRO 451 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3e1f h PRO 451 CO 0.92 0.38 -0.07 0.66 -0.23 0.00 0.00 178.00 179.66 3e1f h SER 452 N 0.00 0.00 -3.54 1.44 4.64 -1.87 -3.39 113.55 110.84 3e1f h SER 452 Ca -0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 3e1f h SER 452 Cb 0.74 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.76 3e1f h SER 452 CO 0.05 0.07 0.91 -0.69 -0.87 0.00 0.00 176.83 176.29 3e1f s VAL 453 N -4.13 4.30 -0.13 0.95 1.01 -1.07 0.75 120.40 122.08 3e1f s VAL 453 Ca -0.03 1.40 0.10 0.00 0.00 0.00 0.00 61.98 63.45 3e1f s VAL 453 Cb 0.13 -4.51 -0.14 0.00 0.00 0.00 0.00 36.38 31.85 3e1f s VAL 453 CO 0.54 -0.80 0.27 2.30 0.00 0.00 0.00 175.10 177.41 3e1f n ILE 454 N 6.48 0.00 -3.91 2.22 -5.35 -0.46 -4.91 119.36 113.43 3e1f n ILE 454 Ca 0.12 -0.24 -0.11 0.00 -0.27 0.00 0.00 62.75 62.26 3e1f n ILE 454 Cb 0.48 0.47 -0.12 0.00 -1.74 0.00 0.00 39.64 38.72 3e1f n ILE 454 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3e1f s ILE 455 N -2.48 0.05 -0.14 7.28 1.01 -1.16 -3.96 121.20 121.80 3e1f s ILE 455 Ca -0.02 -0.40 -0.04 0.00 0.00 0.00 0.00 60.65 60.19 3e1f s ILE 455 Cb 0.07 -0.16 -0.03 0.00 0.01 0.00 0.00 42.46 42.34 3e1f s ILE 455 CO 0.41 -0.22 0.01 0.26 0.00 0.00 0.00 174.94 175.40 3e1f s TRP 456 N -0.66 3.17 -0.06 3.97 0.52 -0.46 -1.73 118.94 123.69 3e1f s TRP 456 Ca -0.07 0.02 0.03 0.00 0.02 0.00 0.00 56.10 56.10 3e1f s TRP 456 Cb -0.05 -1.94 -0.02 0.00 -1.15 0.00 0.00 33.47 30.31 3e1f s TRP 456 CO -0.00 0.23 -0.15 0.45 0.02 0.00 0.00 176.95 177.50 3e1f s SER 457 N -0.11 4.00 0.00 2.95 0.15 0.29 -0.66 113.70 120.32 3e1f s SER 457 Ca 0.05 -0.22 0.08 0.00 0.70 0.00 0.00 55.95 56.56 3e1f s SER 457 Cb -0.13 -0.91 0.40 0.00 -1.71 0.00 0.00 66.02 63.67 3e1f s SER 457 CO 0.02 0.33 1.27 0.18 1.20 0.00 0.00 173.24 176.23 3e1f n LEU 458 N 2.43 0.37 0.00 3.45 4.77 -1.02 -1.65 117.00 125.36 3e1f n LEU 458 Ca -0.17 -0.18 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 3e1f n LEU 458 Cb 0.52 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3e1f n LEU 458 CO 0.26 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3e1f n GLY 459 N 0.70 0.60 3.13 -0.72 0.00 -1.26 -4.70 105.19 102.94 3e1f n GLY 459 Ca 0.07 -2.12 -0.10 0.00 0.00 0.00 0.00 46.02 43.87 3e1f n GLY 459 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3e1f s ASN 460 N -4.00 0.12 -0.15 1.61 2.47 -0.26 -4.80 114.94 109.93 3e1f s ASN 460 Ca 0.00 -0.45 -0.07 0.00 0.42 0.00 0.00 52.86 52.76 3e1f s ASN 460 Cb 0.00 0.24 0.01 0.00 -1.45 0.00 0.00 41.25 40.05 3e1f s ASN 460 CO 0.00 -0.50 0.17 -0.62 -3.72 0.00 0.00 177.10 172.42 3e1f n GLU 461 N 0.83 -0.46 -2.36 0.43 1.02 -1.26 -3.97 120.64 114.87 3e1f n GLU 461 Ca -0.19 0.30 -0.00 0.00 -0.02 0.00 0.00 57.16 57.25 3e1f n GLU 461 Cb 0.58 -0.53 0.05 0.00 -0.02 0.00 0.00 31.44 31.53 3e1f n GLU 461 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3e1f n SER 462 N 0.35 0.48 0.00 1.62 7.64 -1.26 -0.67 113.62 121.78 3e1f n SER 462 Ca -0.04 -2.06 0.00 0.00 1.01 0.00 0.00 58.87 57.77 3e1f n SER 462 Cb 0.18 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 3e1f n SER 462 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3e1f n GLY 463 N -0.56 0.82 2.63 0.23 0.00 -1.24 -4.20 105.19 102.88 3e1f n GLY 463 Ca -0.03 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 3e1f n GLY 463 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3e1f s HIS 464 N 0.00 1.14 0.44 1.61 2.46 -1.26 -3.19 115.29 116.50 3e1f s HIS 464 Ca 0.00 -1.51 0.08 0.00 0.47 0.00 0.00 55.06 54.10 3e1f s HIS 464 Cb 0.00 -1.36 0.01 0.00 -0.13 0.00 0.00 32.58 31.10 3e1f s HIS 464 CO 0.00 -0.85 0.51 0.20 -2.47 0.00 0.00 174.74 172.14 3e1f s GLY 465 N 1.57 2.02 0.28 1.59 0.00 -1.26 -4.91 107.32 106.61 3e1f s GLY 465 Ca 0.11 -1.79 -0.02 0.00 0.00 0.00 0.00 44.72 43.03 3e1f s GLY 465 CO -0.23 -1.62 1.90 0.00 0.00 0.00 0.00 173.10 173.16 3e1f h ALA 466 N 0.74 1.42 -1.00 3.20 0.00 -1.79 -2.02 119.26 119.81 3e1f h ALA 466 Ca -0.39 -0.03 0.21 0.00 0.00 0.00 0.00 54.91 54.70 3e1f h ALA 466 Cb 1.28 -0.31 -0.11 0.00 0.00 0.00 0.00 17.79 18.64 3e1f h ALA 466 CO 0.50 0.46 0.61 -0.91 0.00 0.00 0.00 179.25 179.90 3e1f h ASN 467 N 1.16 0.74 -0.58 0.00 2.35 -1.68 0.14 115.58 117.71 3e1f h ASN 467 Ca 0.40 0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 56.26 3e1f h ASN 467 Cb 0.11 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 3e1f h ASN 467 CO -0.14 0.22 0.34 0.45 -1.65 0.00 0.00 177.43 176.64 3e1f h HIS 468 N 0.70 0.78 -0.60 1.19 3.86 -1.51 -0.92 115.15 118.64 3e1f h HIS 468 Ca 0.60 -0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.73 3e1f h HIS 468 Cb 1.02 -0.25 -0.02 0.00 1.06 0.00 0.00 27.41 29.21 3e1f h HIS 468 CO -0.00 0.54 0.09 -0.44 0.86 0.00 0.00 177.93 178.97 3e1f h ASP 469 N 0.79 0.97 -0.04 2.45 3.32 -0.83 0.78 116.42 123.85 3e1f h ASP 469 Ca 0.21 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 3e1f h ASP 469 Cb 0.00 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.29 3e1f h ASP 469 CO -0.04 0.99 0.02 0.00 -1.72 0.00 0.00 179.24 178.49 3e1f h ALA 470 N 1.01 0.05 -0.01 3.45 0.00 -0.69 -1.92 119.26 121.15 3e1f h ALA 470 Ca 0.18 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3e1f h ALA 470 Cb 0.44 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3e1f h ALA 470 CO 0.01 -0.42 -0.42 -0.07 0.00 0.00 0.00 179.25 178.36 3e1f h LEU 471 N -0.01 0.03 0.51 0.00 3.38 -1.10 -2.18 115.31 115.94 3e1f h LEU 471 Ca 0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3e1f h LEU 471 Cb 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3e1f h LEU 471 CO -0.00 0.45 -0.24 0.22 0.09 0.00 0.00 178.44 178.96 3e1f h TYR 472 N 0.03 -0.63 -0.23 1.13 3.20 -0.50 -2.50 116.97 117.46 3e1f h TYR 472 Ca -0.00 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.87 3e1f h TYR 472 Cb 0.76 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.22 3e1f h TYR 472 CO 0.00 -0.38 0.16 -0.09 -1.64 0.00 0.00 178.16 176.21 3e1f h ARG 473 N -0.70 0.25 0.39 1.82 9.65 -1.17 -2.39 114.38 122.23 3e1f h ARG 473 Ca -0.07 -0.01 -0.02 0.00 -1.10 0.00 0.00 59.98 58.78 3e1f h ARG 473 Cb 0.53 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.06 3e1f h ARG 473 CO 0.11 0.16 -0.19 2.35 2.80 0.00 0.00 179.97 185.21 3e1f h TRP 474 N 0.25 -0.49 -0.72 2.20 7.01 -1.03 -1.61 115.95 121.56 3e1f h TRP 474 Ca 0.09 -0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.16 3e1f h TRP 474 Cb 0.06 0.16 -0.07 0.00 -2.10 0.00 0.00 29.16 27.22 3e1f h TRP 474 CO -0.00 -0.24 0.38 0.82 -2.79 0.00 0.00 178.44 176.61 3e1f h ILE 475 N -0.64 0.90 -0.59 2.65 2.04 -1.15 0.17 117.51 120.90 3e1f h ILE 475 Ca -0.05 -0.23 0.03 0.00 1.00 0.00 0.00 64.86 65.60 3e1f h ILE 475 Cb 0.47 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.69 3e1f h ILE 475 CO 0.09 0.12 0.39 0.11 0.00 0.00 0.00 178.15 178.86 3e1f h LYS 476 N 0.67 0.68 0.01 2.37 1.79 -1.22 0.48 116.57 121.35 3e1f h LYS 476 Ca 0.34 -0.04 -0.11 0.00 -2.18 0.00 0.00 60.65 58.66 3e1f h LYS 476 Cb 0.30 -0.15 0.01 0.00 -1.58 0.00 0.00 32.23 30.80 3e1f h LYS 476 CO -0.23 0.45 -0.43 0.77 -1.08 0.00 0.00 179.45 178.93 3e1f h SER 477 N 0.70 0.36 -0.38 0.86 0.02 -0.15 -3.29 113.55 111.67 3e1f h SER 477 Ca 0.23 -0.79 -0.16 0.00 -0.84 0.00 0.00 61.79 60.22 3e1f h SER 477 Cb 0.06 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 3e1f h SER 477 CO -0.06 1.11 -0.40 0.58 -1.14 0.00 0.00 176.83 176.92 3e1f h VAL 478 N -0.35 1.27 -2.57 2.27 2.07 -0.45 -3.41 116.25 115.08 3e1f h VAL 478 Ca -0.06 -1.57 -0.55 0.00 0.82 0.00 0.00 66.70 65.34 3e1f h VAL 478 Cb 1.19 1.39 -0.38 0.00 -1.52 0.00 0.00 31.29 31.97 3e1f h VAL 478 CO 0.08 0.53 -0.82 -0.62 0.02 0.00 0.00 177.57 176.76 3e1f s ASP 479 N -6.85 2.91 0.45 0.57 2.15 0.17 -4.97 116.67 111.10 3e1f s ASP 479 Ca -0.11 -1.93 0.30 0.00 0.43 0.00 0.00 52.55 51.24 3e1f s ASP 479 Cb 0.11 -0.29 1.26 0.00 -0.30 0.00 0.00 42.92 43.70 3e1f s ASP 479 CO 0.88 -0.33 1.90 -0.65 -0.17 0.00 0.00 175.17 176.80 3e1f h PRO 480 N 7.32 0.00 0.00 4.34 0.11 -1.75 -3.27 132.00 138.76 3e1f h PRO 480 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 3e1f h PRO 480 Cb 0.99 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 3e1f h PRO 480 CO 0.29 0.00 -0.10 0.66 -0.21 0.00 0.00 178.00 178.64 3e1f h SER 481 N 0.00 0.00 -4.36 -2.05 4.64 -1.91 -3.44 113.55 106.43 3e1f h SER 481 Ca 0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 3e1f h SER 481 Cb 0.44 0.00 -0.28 0.00 -0.31 0.00 0.00 62.40 62.25 3e1f h SER 481 CO 0.00 0.10 -0.85 -0.13 -0.87 0.00 0.00 176.83 175.08 3e1f s ARG 482 N -4.22 1.54 0.53 4.77 0.52 -1.23 -4.29 118.95 116.56 3e1f s ARG 482 Ca -0.03 -0.82 -0.19 0.00 -0.52 0.00 0.00 55.73 54.17 3e1f s ARG 482 Cb 0.13 -1.56 -0.07 0.00 0.52 0.00 0.00 34.95 33.98 3e1f s ARG 482 CO 0.57 0.41 1.05 -2.14 0.02 0.00 0.00 175.30 175.22 3e1f s PRO 483 N -0.79 3.61 0.01 3.54 0.02 -1.25 -4.82 135.00 135.32 3e1f s PRO 483 Ca 0.08 1.32 0.04 0.00 0.02 0.00 0.00 61.00 62.45 3e1f s PRO 483 Cb -0.08 -2.07 -0.03 0.00 0.02 0.00 0.00 34.50 32.34 3e1f s PRO 483 CO 0.00 -0.58 -0.08 0.08 -0.33 0.00 0.00 177.00 176.09 3e1f s VAL 484 N -2.13 3.55 0.05 3.83 1.01 -1.26 -1.35 120.40 124.09 3e1f s VAL 484 Ca 0.66 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.79 3e1f s VAL 484 Cb -0.17 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 3e1f s VAL 484 CO 0.26 0.38 0.01 0.00 0.00 0.00 0.00 175.10 175.76 3e1f s GLN 485 N -1.44 0.57 -0.29 2.72 -2.07 0.16 -0.20 119.66 119.12 3e1f s GLN 485 Ca 0.17 -0.99 -0.15 0.00 -1.82 0.00 0.00 55.36 52.57 3e1f s GLN 485 Cb -0.11 0.21 0.12 0.00 -1.09 0.00 0.00 33.01 32.14 3e1f s GLN 485 CO 0.07 -0.12 0.84 -0.47 -1.32 0.00 0.00 175.29 174.30 3e1f s TYR 486 N -3.20 -0.84 -0.58 9.60 5.04 -1.26 -2.42 117.35 123.69 3e1f s TYR 486 Ca 0.00 1.63 0.24 0.00 -2.44 0.00 0.00 57.07 56.50 3e1f s TYR 486 Cb 0.03 0.51 0.36 0.00 0.35 0.00 0.00 41.96 43.20 3e1f s TYR 486 CO -0.07 -0.42 1.36 1.49 -1.34 0.00 0.00 175.55 176.57 3e1f h GLU 487 N 6.78 0.00 -6.88 4.97 4.22 -1.87 -3.42 114.58 118.38 3e1f h GLU 487 Ca -0.26 0.00 -0.57 0.00 0.08 0.00 0.00 59.36 58.61 3e1f h GLU 487 Cb 1.19 0.00 0.16 0.00 0.50 0.00 0.00 28.75 30.60 3e1f h GLU 487 CO 0.16 0.00 0.17 0.41 -2.18 0.00 0.00 179.01 177.57 3e1f n GLY 488 N 1.29 -0.23 2.35 1.92 0.00 -1.26 -0.42 105.19 108.84 3e1f n GLY 488 Ca 0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 46.02 45.86 3e1f n GLY 488 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e1f n GLY 489 N 1.25 0.53 0.00 -0.02 0.00 -1.19 -3.75 105.19 102.01 3e1f n GLY 489 Ca 0.14 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3e1f n GLY 489 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e1f n GLY 490 N -1.57 1.30 4.36 -0.02 0.00 -1.17 -4.72 105.19 103.37 3e1f n GLY 490 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3e1f n GLY 490 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3e1f n ALA 491 N -0.17 0.00 -1.64 4.61 0.00 0.44 -4.66 120.51 119.09 3e1f n ALA 491 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 3e1f n ALA 491 Cb 0.00 -0.43 0.08 0.00 0.00 0.00 0.00 19.45 19.10 3e1f n ALA 491 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3e1f n ASP 492 N 0.00 1.19 -3.83 0.00 5.68 -1.26 -2.50 116.55 115.83 3e1f n ASP 492 Ca 0.00 -2.61 -0.30 0.00 -0.50 0.00 0.00 54.79 51.38 3e1f n ASP 492 Cb 0.00 -0.33 0.27 0.00 -1.14 0.00 0.00 41.12 39.92 3e1f n ASP 492 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3e1f s THR 493 N -1.45 1.50 -2.00 2.12 -4.23 -1.26 -4.87 115.64 105.45 3e1f s THR 493 Ca 0.20 0.00 0.17 0.00 -1.18 0.00 0.00 61.69 60.88 3e1f s THR 493 Cb 0.18 -2.09 0.49 0.00 1.34 0.00 0.00 72.50 72.42 3e1f s THR 493 CO -0.01 0.00 1.52 0.35 -0.54 0.00 0.00 174.62 175.94 3e1f n THR 494 N -5.36 0.00 -0.76 3.99 -2.24 -1.26 -2.74 114.28 105.91 3e1f n THR 494 Ca 0.09 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.95 3e1f n THR 494 Cb 0.58 -0.46 0.33 0.00 -2.10 0.00 0.00 70.33 68.67 3e1f n THR 494 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3e1f n ALA 495 N -0.85 3.20 -3.25 6.98 0.00 -1.26 -4.95 120.51 120.37 3e1f n ALA 495 Ca 0.13 -1.84 -0.13 0.00 0.00 0.00 0.00 53.44 51.60 3e1f n ALA 495 Cb 0.06 -0.91 -0.12 0.00 0.00 0.00 0.00 19.45 18.48 3e1f n ALA 495 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3e1f s THR 496 N -2.28 -0.01 -0.91 0.00 -1.32 -1.11 -4.11 115.64 105.90 3e1f s THR 496 Ca 0.47 0.04 0.26 0.00 -1.21 0.00 0.00 61.69 61.24 3e1f s THR 496 Cb 0.34 -0.31 0.06 0.00 -1.51 0.00 0.00 72.50 71.08 3e1f s THR 496 CO 0.17 0.02 1.49 0.47 -2.21 0.00 0.00 174.62 174.56 3e1f n ASP 497 N 3.28 0.46 -4.09 8.08 8.00 0.72 -4.84 116.55 128.17 3e1f n ASP 497 Ca -0.16 -0.02 -0.22 0.00 0.71 0.00 0.00 54.79 55.11 3e1f n ASP 497 Cb 0.57 0.07 -0.15 0.00 -0.02 0.00 0.00 41.12 41.59 3e1f n ASP 497 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3e1f s ILE 498 N -3.04 1.06 -0.54 0.53 1.01 -1.26 -4.49 121.20 114.47 3e1f s ILE 498 Ca 0.10 -0.56 -0.28 0.00 0.00 0.00 0.00 60.65 59.91 3e1f s ILE 498 Cb 0.17 -0.89 0.03 0.00 0.01 0.00 0.00 42.46 41.77 3e1f s ILE 498 CO 0.67 0.30 1.24 -0.63 0.00 0.00 0.00 174.94 176.52 3e1f s ILE 499 N -0.24 4.00 -0.62 2.92 1.01 -0.13 -4.70 121.20 123.45 3e1f s ILE 499 Ca 0.04 0.93 0.06 0.00 0.00 0.00 0.00 60.65 61.68 3e1f s ILE 499 Cb -0.06 -4.61 0.28 0.00 0.01 0.00 0.00 42.46 38.08 3e1f s ILE 499 CO -0.00 -1.20 0.81 0.00 0.00 0.00 0.00 174.94 174.54 3e1f s PRO 501 N -2.77 -0.87 -0.16 0.00 0.04 -1.26 -4.03 135.00 125.96 3e1f s PRO 501 Ca 0.43 0.14 -0.02 0.00 0.04 0.00 0.00 61.00 61.59 3e1f s PRO 501 Cb 0.19 -1.62 0.05 0.00 0.04 0.00 0.00 34.50 33.16 3e1f s PRO 501 CO -0.05 -3.52 0.01 0.00 0.04 0.00 0.00 177.00 173.48 3e1f s MET 502 N -5.22 0.80 -0.27 4.56 0.23 -1.26 -0.67 119.30 117.47 3e1f s MET 502 Ca 0.69 -0.32 0.00 0.00 -1.03 0.00 0.00 55.69 55.03 3e1f s MET 502 Cb -0.13 -1.83 0.00 0.00 -1.53 0.00 0.00 34.83 31.34 3e1f s MET 502 CO 0.57 -0.52 0.00 0.66 -2.03 0.00 0.00 175.02 173.70 3e1f n TYR 503 N 5.04 0.00 -2.37 3.16 4.01 0.97 -4.96 117.16 123.00 3e1f n TYR 503 Ca -0.09 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.23 3e1f n TYR 503 Cb 0.48 -0.84 -0.03 0.00 -0.31 0.00 0.00 39.34 38.64 3e1f n TYR 503 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3e1f s ALA 504 N -2.08 3.46 0.82 -0.72 0.00 -1.26 -4.88 121.76 117.10 3e1f s ALA 504 Ca 0.00 0.83 -0.11 0.00 0.00 0.00 0.00 51.96 52.68 3e1f s ALA 504 Cb 0.00 -3.49 0.08 0.00 0.00 0.00 0.00 23.12 19.71 3e1f s ALA 504 CO 0.00 -0.60 1.10 1.03 0.00 0.00 0.00 175.76 177.29 3e1f s ARG 505 N 1.52 1.87 0.00 0.00 0.52 -1.26 -4.67 118.95 116.94 3e1f s ARG 505 Ca 0.60 0.67 -0.25 0.00 -0.52 0.00 0.00 55.73 56.23 3e1f s ARG 505 Cb -0.29 -1.89 -0.19 0.00 0.52 0.00 0.00 34.95 33.10 3e1f s ARG 505 CO 0.27 -1.78 1.34 0.28 0.02 0.00 0.00 175.30 175.44 3e1f h VAL 506 N -1.20 1.18 0.00 3.52 2.07 -1.94 -0.71 116.25 119.17 3e1f h VAL 506 Ca -0.48 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.20 3e1f h VAL 506 Cb 1.27 1.73 -0.00 0.00 -1.52 0.00 0.00 31.29 32.77 3e1f h VAL 506 CO 0.58 0.21 -1.13 0.47 0.02 0.00 0.00 177.57 177.72 3e1f n ASP 507 N -4.95 4.40 -4.75 0.57 8.00 -1.26 -3.67 116.55 114.90 3e1f n ASP 507 Ca -0.08 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.04 3e1f n ASP 507 Cb 0.21 1.03 -0.06 0.00 -0.02 0.00 0.00 41.12 42.28 3e1f n ASP 507 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3e1f s GLU 508 N -2.16 4.24 0.32 -1.24 2.12 -1.26 -4.73 118.70 115.99 3e1f s GLU 508 Ca -0.01 0.38 -0.13 0.00 0.36 0.00 0.00 54.97 55.57 3e1f s GLU 508 Cb 0.02 -3.39 -0.08 0.00 0.26 0.00 0.00 34.13 30.93 3e1f s GLU 508 CO 0.11 0.28 0.71 -0.51 -0.54 0.00 0.00 175.26 175.31 3e1f s ASP 509 N 0.25 6.70 -0.53 -1.70 1.11 -1.26 -3.83 116.67 117.42 3e1f s ASP 509 Ca 0.24 1.19 0.06 0.00 0.18 0.00 0.00 52.55 54.21 3e1f s ASP 509 Cb -0.15 -2.34 0.20 0.00 1.07 0.00 0.00 42.92 41.71 3e1f s ASP 509 CO 0.10 -0.22 0.50 0.00 1.18 0.00 0.00 175.17 176.73 3e1f n GLN 510 N -0.50 1.18 -0.00 8.23 6.02 -0.15 -4.95 117.38 127.21 3e1f n GLN 510 Ca 0.03 -3.81 0.00 0.00 -0.01 0.00 0.00 57.00 53.21 3e1f n GLN 510 Cb 0.53 -1.83 0.00 0.00 1.02 0.00 0.00 30.24 29.96 3e1f n GLN 510 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3e1f n PRO 511 N 1.90 0.00 -1.95 -1.09 -0.04 -1.26 -1.53 135.00 131.04 3e1f n PRO 511 Ca 0.25 -0.15 -0.38 0.00 -0.04 0.00 0.00 63.50 63.19 3e1f n PRO 511 Cb 0.44 -1.64 0.02 0.00 -0.04 0.00 0.00 33.50 32.29 3e1f n PRO 511 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3e1f s PHE 512 N 3.58 2.49 0.39 0.54 0.08 -1.26 -4.89 117.98 118.90 3e1f s PHE 512 Ca 0.00 1.43 -0.26 0.00 0.12 0.00 0.00 56.93 58.22 3e1f s PHE 512 Cb 0.00 -3.65 -0.09 0.00 -0.57 0.00 0.00 43.02 38.71 3e1f s PHE 512 CO 0.00 -2.42 1.19 -1.25 -0.10 0.00 0.00 175.22 172.64 3e1f s PRO 513 N -2.84 4.11 0.00 0.24 0.04 -1.26 -2.37 135.00 132.92 3e1f s PRO 513 Ca 0.69 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.63 3e1f s PRO 513 Cb -0.36 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.42 3e1f s PRO 513 CO 0.43 -0.29 0.00 0.00 0.04 0.00 0.00 177.00 177.18 3e1f n ALA 514 N 0.22 0.00 -3.21 8.56 0.00 -1.26 -4.50 120.51 120.32 3e1f n ALA 514 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.23 3e1f n ALA 514 Cb 0.46 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.85 3e1f n ALA 514 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3e1f n VAL 515 N 0.00 1.48 -1.23 0.00 0.24 -1.25 -4.84 118.33 112.74 3e1f n VAL 515 Ca 0.00 -4.95 -0.30 0.00 -2.04 0.00 0.00 64.34 57.04 3e1f n VAL 515 Cb 0.00 -1.59 0.11 0.00 -1.47 0.00 0.00 33.84 30.89 3e1f n VAL 515 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3e1f s PRO 516 N -2.45 1.76 -0.41 7.34 0.04 -1.00 -4.64 135.00 135.64 3e1f s PRO 516 Ca 0.41 1.01 0.04 0.00 0.04 0.00 0.00 61.00 62.49 3e1f s PRO 516 Cb 0.22 -1.85 0.11 0.00 0.04 0.00 0.00 34.50 33.02 3e1f s PRO 516 CO -0.08 -1.94 0.14 0.15 0.04 0.00 0.00 177.00 175.31 3e1f s LYS 517 N -4.91 1.70 0.66 4.56 1.02 -0.58 -4.88 119.74 117.30 3e1f s LYS 517 Ca 0.62 -2.15 -0.12 0.00 0.02 0.00 0.00 55.97 54.34 3e1f s LYS 517 Cb -0.18 -3.28 -0.01 0.00 -0.52 0.00 0.00 37.83 33.85 3e1f s LYS 517 CO 0.56 -1.01 1.06 -1.58 -0.92 0.00 0.00 175.35 173.46 3e1f s TRP 518 N 0.48 3.09 0.19 3.18 0.52 -1.26 -0.98 118.94 124.16 3e1f s TRP 518 Ca 0.13 1.45 -0.33 0.00 0.02 0.00 0.00 56.10 57.37 3e1f s TRP 518 Cb -0.22 -2.91 -0.13 0.00 -1.15 0.00 0.00 33.47 29.06 3e1f s TRP 518 CO -0.05 -1.16 1.59 0.45 0.02 0.00 0.00 176.95 177.79 3e1f n SER 519 N -2.75 3.29 -0.16 2.95 2.88 -1.25 -4.44 113.62 114.14 3e1f n SER 519 Ca 0.08 1.09 0.24 0.00 -1.33 0.00 0.00 58.87 58.94 3e1f n SER 519 Cb 0.53 -1.47 0.65 0.00 -0.75 0.00 0.00 64.21 63.17 3e1f n SER 519 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 3e1f h ILE 520 N 3.57 0.64 -0.17 2.46 3.07 -1.19 0.65 117.51 126.53 3e1f h ILE 520 Ca -0.45 -0.05 -0.18 0.00 1.55 0.00 0.00 64.86 65.74 3e1f h ILE 520 Cb 1.24 0.49 -0.00 0.00 -0.27 0.00 0.00 36.82 38.28 3e1f h ILE 520 CO 0.88 0.02 -0.62 0.11 -1.05 0.00 0.00 178.15 177.49 3e1f h LYS 521 N 0.13 0.61 -0.03 0.16 1.57 -1.84 -3.12 116.57 114.06 3e1f h LYS 521 Ca 0.40 -0.43 -0.18 0.00 -1.87 0.00 0.00 60.65 58.57 3e1f h LYS 521 Cb 1.37 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.74 3e1f h LYS 521 CO -0.06 1.04 -0.78 -0.22 -0.57 0.00 0.00 179.45 178.87 3e1f h LYS 522 N 0.45 0.23 -0.33 3.15 3.64 -1.26 -3.31 116.57 119.14 3e1f h LYS 522 Ca -0.01 -0.21 0.02 0.00 -1.27 0.00 0.00 60.65 59.18 3e1f h LYS 522 Cb 1.20 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 3e1f h LYS 522 CO 0.12 0.89 0.17 2.35 -2.27 0.00 0.00 179.45 180.72 3e1f h TRP 523 N 0.14 0.32 -0.87 1.91 2.91 -0.92 -2.92 115.95 116.53 3e1f h TRP 523 Ca -0.03 0.01 0.13 0.00 1.13 0.00 0.00 58.89 60.14 3e1f h TRP 523 Cb 1.36 -0.10 -0.07 0.00 -0.51 0.00 0.00 29.16 29.85 3e1f h TRP 523 CO 0.03 0.18 0.56 -0.07 -1.03 0.00 0.00 178.44 178.11 3e1f h LEU 524 N 0.36 0.65 -2.02 0.65 3.38 -1.63 -2.45 115.31 114.24 3e1f h LEU 524 Ca 0.13 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3e1f h LEU 524 Cb 0.03 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3e1f h LEU 524 CO -0.08 0.34 0.00 -1.54 0.09 0.00 0.00 178.44 177.25 3e1f n SER 525 N -4.55 2.96 -4.72 -0.43 3.41 -1.11 -4.52 113.62 104.67 3e1f n SER 525 Ca 0.16 -1.97 -0.42 0.00 -0.26 0.00 0.00 58.87 56.38 3e1f n SER 525 Cb 0.44 -0.33 -0.01 0.00 -0.26 0.00 0.00 64.21 64.05 3e1f n SER 525 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3e1f n LEU 526 N 1.13 3.86 -4.64 1.04 4.77 -0.93 -4.77 117.00 117.46 3e1f n LEU 526 Ca 0.19 1.20 -0.61 0.00 -0.03 0.00 0.00 56.01 56.76 3e1f n LEU 526 Cb 0.48 -1.52 -0.08 0.00 -2.33 0.00 0.00 43.42 39.97 3e1f n LEU 526 CO 0.13 -0.29 0.95 -2.65 -1.33 0.00 0.00 177.39 174.21 3e1f n PRO 527 N 0.79 0.32 0.00 3.23 -0.02 -1.26 -0.77 135.00 137.29 3e1f n PRO 527 Ca 0.05 0.12 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 3e1f n PRO 527 Cb 0.36 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 3e1f n PRO 527 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3e1f n GLY 528 N 3.00 2.58 3.77 -1.23 0.00 -1.26 -5.01 105.19 107.03 3e1f n GLY 528 Ca 0.25 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 3e1f n GLY 528 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3e1f s GLU 529 N 0.00 3.94 0.00 1.61 2.56 0.05 -4.91 118.70 121.95 3e1f s GLU 529 Ca 0.00 2.48 0.00 0.00 0.00 0.00 0.00 54.97 57.45 3e1f s GLU 529 Cb 0.00 -2.83 0.00 0.00 2.00 0.00 0.00 34.13 33.30 3e1f s GLU 529 CO 0.00 -0.64 0.00 0.25 -0.56 0.00 0.00 175.26 174.31 3e1f n THR 530 N 0.19 0.00 -1.12 -1.70 -2.24 -1.26 -4.78 114.28 103.37 3e1f n THR 530 Ca 0.03 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.51 3e1f n THR 530 Cb 0.41 0.81 0.15 0.00 -2.10 0.00 0.00 70.33 69.60 3e1f n THR 530 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3e1f s ARG 531 N 0.00 0.95 0.33 -0.78 0.52 -1.26 -3.96 118.95 114.75 3e1f s ARG 531 Ca 0.00 0.82 -0.15 0.00 -0.52 0.00 0.00 55.73 55.88 3e1f s ARG 531 Cb 0.00 -1.77 -0.09 0.00 0.52 0.00 0.00 34.95 33.61 3e1f s ARG 531 CO 0.00 -2.45 0.75 -1.25 0.02 0.00 0.00 175.30 172.37 3e1f s PRO 532 N -4.88 4.02 -0.21 3.54 0.04 -1.12 -4.84 135.00 131.55 3e1f s PRO 532 Ca 0.64 0.71 -0.01 0.00 0.04 0.00 0.00 61.00 62.38 3e1f s PRO 532 Cb -0.19 -2.41 0.01 0.00 0.04 0.00 0.00 34.50 31.95 3e1f s PRO 532 CO 0.58 0.14 -0.12 -1.17 0.04 0.00 0.00 177.00 176.47 3e1f s LEU 533 N -3.00 2.62 -0.16 -3.56 0.20 -0.35 -0.96 118.68 113.47 3e1f s LEU 533 Ca 0.55 -0.60 -0.02 0.00 0.69 0.00 0.00 54.13 54.75 3e1f s LEU 533 Cb -0.10 -1.61 0.05 0.00 -0.43 0.00 0.00 46.19 44.10 3e1f s LEU 533 CO 0.17 -0.03 0.01 -0.63 -0.29 0.00 0.00 176.35 175.58 3e1f s ILE 534 N 1.37 0.58 0.17 6.68 1.01 -0.21 -2.10 121.20 128.69 3e1f s ILE 534 Ca 0.04 -0.40 -0.32 0.00 0.00 0.00 0.00 60.65 59.98 3e1f s ILE 534 Cb -0.14 -0.95 -0.10 0.00 0.01 0.00 0.00 42.46 41.28 3e1f s ILE 534 CO -0.08 -0.04 1.61 -0.76 0.00 0.00 0.00 174.94 175.68 3e1f s LEU 535 N 1.85 4.37 0.18 2.97 1.02 -0.83 -4.08 118.68 124.16 3e1f s LEU 535 Ca 0.01 2.67 0.26 0.00 0.02 0.00 0.00 54.13 57.10 3e1f s LEU 535 Cb -0.16 -3.59 0.89 0.00 0.02 0.00 0.00 46.19 43.35 3e1f s LEU 535 CO -0.07 -0.87 1.80 0.00 0.02 0.00 0.00 176.35 177.23 3e1f s GLU 537 N -3.09 0.65 0.12 0.00 2.02 -1.21 -4.42 118.70 112.75 3e1f s GLU 537 Ca 0.11 1.14 -0.25 0.00 0.02 0.00 0.00 54.97 55.99 3e1f s GLU 537 Cb 0.13 0.17 0.08 0.00 0.10 0.00 0.00 34.13 34.61 3e1f s GLU 537 CO 0.57 -0.14 0.70 1.52 0.02 0.00 0.00 175.26 177.93 3e1f s TYR 538 N 1.66 -0.46 -0.87 1.61 1.13 -0.87 -0.02 117.35 119.52 3e1f s TYR 538 Ca -0.10 0.26 -0.04 0.00 -1.41 0.00 0.00 57.07 55.79 3e1f s TYR 538 Cb -0.05 0.56 -0.05 0.00 -1.10 0.00 0.00 41.96 41.32 3e1f s TYR 538 CO -0.19 -0.77 0.78 0.00 -2.51 0.00 0.00 175.55 172.85 3e1f n ALA 539 N -0.34 -2.30 -1.52 9.51 0.00 -1.26 -2.04 120.51 122.56 3e1f n ALA 539 Ca -0.14 0.10 -0.46 0.00 0.00 0.00 0.00 53.44 52.93 3e1f n ALA 539 Cb 0.64 -4.37 -0.05 0.00 0.00 0.00 0.00 19.45 15.66 3e1f n ALA 539 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3e1f n HIS 540 N -2.74 1.73 -1.13 0.00 -0.00 -0.72 -3.86 115.22 108.49 3e1f n HIS 540 Ca -0.05 0.10 -0.19 0.00 0.46 0.00 0.00 57.72 58.04 3e1f n HIS 540 Cb 0.58 -2.62 -0.04 0.00 -0.12 0.00 0.00 29.99 27.79 3e1f n HIS 540 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3e1f n ALA 541 N 11.03 5.81 -2.59 1.57 0.00 0.10 -4.19 120.51 132.24 3e1f n ALA 541 Ca 0.37 -2.11 -0.43 0.00 0.00 0.00 0.00 53.44 51.26 3e1f n ALA 541 Cb 0.34 -1.84 -0.03 0.00 0.00 0.00 0.00 19.45 17.92 3e1f n ALA 541 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3e1f s MET 542 N -1.08 3.50 6.53 0.00 0.00 -1.26 -3.69 119.30 123.31 3e1f s MET 542 Ca 0.46 0.13 0.00 0.00 0.00 0.00 0.00 55.69 56.28 3e1f s MET 542 Cb 0.29 -3.97 0.00 0.00 0.00 0.00 0.00 34.83 31.15 3e1f s MET 542 CO -0.09 -1.40 0.00 0.41 0.00 0.00 0.00 175.02 173.94 3e1f n GLY 543 N 4.99 1.70 3.51 2.11 0.00 -1.26 -4.02 105.19 112.22 3e1f n GLY 543 Ca 0.06 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.17 3e1f n GLY 543 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3e1f s ASN 544 N -4.00 6.83 0.00 1.61 2.47 -1.26 -4.88 114.94 115.71 3e1f s ASN 544 Ca 0.00 -2.42 0.00 0.00 0.42 0.00 0.00 52.86 50.86 3e1f s ASN 544 Cb 0.00 -2.48 0.00 0.00 -1.45 0.00 0.00 41.25 37.32 3e1f s ASN 544 CO 0.00 -1.05 0.00 -0.24 -3.72 0.00 0.00 177.10 172.09 3e1f n SER 545 N 7.12 0.27 -0.98 -4.21 2.88 -1.26 -4.78 113.62 112.65 3e1f n SER 545 Ca 0.37 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.80 3e1f n SER 545 Cb 0.46 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.89 3e1f n SER 545 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 3e1f n LEU 546 N 0.00 -1.05 -4.73 2.46 7.94 -1.23 -4.83 117.00 115.56 3e1f n LEU 546 Ca 0.00 0.17 -0.41 0.00 -1.11 0.00 0.00 56.01 54.66 3e1f n LEU 546 Cb 0.00 -1.75 -0.05 0.00 0.53 0.00 0.00 43.42 42.15 3e1f n LEU 546 CO 0.00 -0.41 0.64 -0.83 -1.11 0.00 0.00 177.39 175.68 3e1f s GLY 547 N -2.75 3.00 0.00 -3.96 0.00 -0.82 -3.00 107.32 99.80 3e1f s GLY 547 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 44.72 45.27 3e1f s GLY 547 CO 0.00 1.37 0.00 0.61 0.00 0.00 0.00 173.10 175.08 3e1f n GLY 548 N 2.14 0.74 0.34 0.20 0.00 0.15 -3.93 105.19 104.82 3e1f n GLY 548 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 3e1f n GLY 548 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3e1f h PHE 549 N 0.00 1.19 0.00 1.61 3.57 -1.73 -2.38 116.94 119.20 3e1f h PHE 549 Ca 0.00 -0.09 -0.00 0.00 3.53 0.00 0.00 57.97 61.41 3e1f h PHE 549 Cb 0.00 -0.36 -0.00 0.00 2.79 0.00 0.00 35.95 38.38 3e1f h PHE 549 CO 0.00 0.90 -0.01 0.00 -2.23 0.00 0.00 178.31 176.97 3e1f h ALA 550 N 1.17 1.98 -0.54 2.41 0.00 -1.87 -2.06 119.26 120.36 3e1f h ALA 550 Ca 0.26 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 3e1f h ALA 550 Cb 0.20 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3e1f h ALA 550 CO -0.02 0.01 0.04 -0.22 0.00 0.00 0.00 179.25 179.06 3e1f h LYS 551 N 0.00 0.88 -0.30 0.00 3.64 -1.83 -1.38 116.57 117.59 3e1f h LYS 551 Ca -0.00 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.14 3e1f h LYS 551 Cb 0.01 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3e1f h LYS 551 CO 0.00 0.85 0.14 1.88 -2.27 0.00 0.00 179.45 180.05 3e1f h TYR 552 N 0.82 0.43 -0.28 1.91 0.05 -1.42 -2.40 116.97 116.09 3e1f h TYR 552 Ca 0.16 -0.02 -0.12 0.00 0.05 0.00 0.00 58.73 58.81 3e1f h TYR 552 Cb 0.43 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.02 3e1f h TYR 552 CO 0.03 0.40 -0.31 -1.49 -1.05 0.00 0.00 178.16 175.73 3e1f h TRP 553 N 0.34 0.68 -0.48 4.88 4.06 -1.45 0.69 115.95 124.67 3e1f h TRP 553 Ca 0.10 -0.17 0.06 0.00 2.06 0.00 0.00 58.89 60.95 3e1f h TRP 553 Cb 0.13 -0.16 -0.06 0.00 -1.00 0.00 0.00 29.16 28.08 3e1f h TRP 553 CO -0.02 0.83 0.17 0.37 -3.56 0.00 0.00 178.44 176.24 3e1f h GLN 554 N 0.51 0.34 -0.38 0.49 -0.00 -1.10 -1.18 115.11 113.78 3e1f h GLN 554 Ca 0.06 -0.02 -0.14 0.00 -0.00 0.00 0.00 58.65 58.55 3e1f h GLN 554 Cb 0.78 -0.08 -0.01 0.00 0.00 0.00 0.00 27.48 28.18 3e1f h GLN 554 CO 0.06 0.22 -0.32 0.00 0.00 0.00 0.00 178.83 178.80 3e1f h ALA 555 N 1.32 0.71 -0.82 3.38 0.00 -1.03 -2.61 119.26 120.21 3e1f h ALA 555 Ca 0.23 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.72 3e1f h ALA 555 Cb 0.24 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3e1f h ALA 555 CO -0.24 0.66 0.54 0.74 0.00 0.00 0.00 179.25 180.95 3e1f h PHE 556 N 0.71 1.04 -0.07 0.00 0.04 -0.10 -1.58 116.94 116.99 3e1f h PHE 556 Ca 0.07 0.02 -0.17 0.00 2.80 0.00 0.00 57.97 60.70 3e1f h PHE 556 Cb 0.88 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 3e1f h PHE 556 CO 0.05 0.66 -0.67 0.00 -0.60 0.00 0.00 178.31 177.75 3e1f h ARG 557 N 1.12 0.31 0.06 1.51 3.08 -1.21 -3.30 114.38 115.94 3e1f h ARG 557 Ca 0.30 -0.24 -0.25 0.00 0.07 0.00 0.00 59.98 59.86 3e1f h ARG 557 Cb -0.12 0.04 0.00 0.00 0.08 0.00 0.00 29.97 29.98 3e1f h ARG 557 CO -0.06 0.87 -1.08 0.37 -1.07 0.00 0.00 179.97 178.99 3e1f h GLN 558 N 0.22 0.36 -4.72 0.04 4.15 -1.22 -3.43 115.11 110.50 3e1f h GLN 558 Ca -0.02 -0.47 -0.69 0.00 0.77 0.00 0.00 58.65 58.24 3e1f h GLN 558 Cb 1.22 0.15 -0.19 0.00 0.21 0.00 0.00 27.48 28.87 3e1f h GLN 558 CO 0.11 1.16 -0.35 0.71 -1.93 0.00 0.00 178.83 178.53 3e1f s TYR 559 N -3.00 3.21 0.25 3.99 1.51 -0.62 -4.98 117.35 117.72 3e1f s TYR 559 Ca -0.05 -0.35 -0.05 0.00 -1.01 0.00 0.00 57.07 55.61 3e1f s TYR 559 Cb 0.08 -2.66 0.48 0.00 -0.11 0.00 0.00 41.96 39.75 3e1f s TYR 559 CO 0.88 -0.54 1.65 -1.35 -1.11 0.00 0.00 175.55 175.07 3e1f h PRO 560 N 8.60 0.15 -0.01 -1.71 0.11 -1.85 -0.23 132.00 137.06 3e1f h PRO 560 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3e1f h PRO 560 Cb 1.13 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3e1f h PRO 560 CO 0.72 0.10 0.00 0.54 -0.21 0.00 0.00 178.00 179.15 3e1f n ARG 561 N -5.28 1.25 -3.15 1.05 1.74 -1.26 -4.39 116.66 106.63 3e1f n ARG 561 Ca 0.15 -0.37 -0.45 0.00 -0.77 0.00 0.00 57.85 56.40 3e1f n ARG 561 Cb 0.50 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.44 3e1f n ARG 561 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3e1f s LEU 562 N -1.97 5.94 -0.22 0.55 1.43 -0.10 -1.21 118.68 123.10 3e1f s LEU 562 Ca 0.43 -2.29 0.08 0.00 -1.03 0.00 0.00 54.13 51.31 3e1f s LEU 562 Cb 0.21 -2.29 0.55 0.00 0.03 0.00 0.00 46.19 44.69 3e1f s LEU 562 CO 0.35 -0.83 1.48 0.00 0.23 0.00 0.00 176.35 177.58 3e1f n GLN 563 N 5.25 3.19 0.00 1.70 6.02 -0.89 -4.59 117.38 128.06 3e1f n GLN 563 Ca 0.15 -2.22 0.00 0.00 -0.01 0.00 0.00 57.00 54.93 3e1f n GLN 563 Cb 0.47 -1.98 0.00 0.00 1.02 0.00 0.00 30.24 29.75 3e1f n GLN 563 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3e1f n GLY 564 N 0.09 -0.54 0.80 1.08 0.00 -1.26 -0.16 105.19 105.20 3e1f n GLY 564 Ca 0.27 -2.04 0.01 0.00 0.00 0.00 0.00 46.02 44.26 3e1f n GLY 564 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e1f n GLY 565 N 0.00 0.40 2.96 -0.02 0.00 -0.86 -1.96 105.19 105.71 3e1f n GLY 565 Ca 0.00 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 3e1f n GLY 565 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3e1f s PHE 566 N -2.30 2.18 0.60 1.61 0.40 -0.02 -1.72 117.98 118.73 3e1f s PHE 566 Ca 0.06 -1.43 -0.20 0.00 -0.60 0.00 0.00 56.93 54.76 3e1f s PHE 566 Cb -0.00 -1.53 -0.03 0.00 0.51 0.00 0.00 43.02 41.97 3e1f s PHE 566 CO -0.00 -0.70 1.30 0.08 0.70 0.00 0.00 175.22 176.59 3e1f s VAL 567 N 1.47 2.15 -0.26 -0.44 1.01 -0.19 -2.05 120.40 122.09 3e1f s VAL 567 Ca -0.01 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.10 3e1f s VAL 567 Cb -0.16 -3.05 0.06 0.00 0.00 0.00 0.00 36.38 33.24 3e1f s VAL 567 CO -0.08 -0.01 -0.07 0.86 0.00 0.00 0.00 175.10 175.79 3e1f s TRP 568 N -1.39 3.03 0.00 5.22 -0.11 -0.87 -0.47 118.94 124.35 3e1f s TRP 568 Ca 0.78 -2.21 0.00 0.00 1.22 0.00 0.00 56.10 55.88 3e1f s TRP 568 Cb -0.37 -1.91 0.00 0.00 -1.50 0.00 0.00 33.47 29.68 3e1f s TRP 568 CO 0.41 -0.86 0.00 -0.40 -4.62 0.00 0.00 176.95 171.49 3e1f n ASP 569 N 4.49 0.00 0.06 5.86 5.75 -0.09 0.01 116.55 132.63 3e1f n ASP 569 Ca -0.12 -0.56 -0.03 0.00 -0.01 0.00 0.00 54.79 54.07 3e1f n ASP 569 Cb 0.43 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.50 3e1f n ASP 569 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 3e1f h TRP 570 N 0.56 -0.16 -4.21 2.11 -0.00 -1.01 -2.14 115.95 111.10 3e1f h TRP 570 Ca 0.00 -0.00 -0.65 0.00 -0.00 0.00 0.00 58.89 58.24 3e1f h TRP 570 Cb 0.00 0.05 -0.26 0.00 -0.00 0.00 0.00 29.16 28.96 3e1f h TRP 570 CO 0.00 -0.10 -0.86 0.54 -0.00 0.00 0.00 178.44 178.02 3e1f s VAL 571 N -2.71 1.95 0.24 2.65 0.11 -1.26 -0.54 120.40 120.83 3e1f s VAL 571 Ca -0.03 -1.34 -0.31 0.00 -2.93 0.00 0.00 61.98 57.37 3e1f s VAL 571 Cb 0.00 -1.68 -0.11 0.00 -1.53 0.00 0.00 36.38 33.06 3e1f s VAL 571 CO 0.08 0.27 1.62 -1.81 -3.33 0.00 0.00 175.10 171.93 3e1f s ASP 572 N -1.29 6.43 -1.29 3.54 1.01 -0.64 -4.30 116.67 120.13 3e1f s ASP 572 Ca 0.10 2.84 -0.07 0.00 0.71 0.00 0.00 52.55 56.13 3e1f s ASP 572 Cb -0.10 -2.61 0.15 0.00 1.01 0.00 0.00 42.92 41.37 3e1f s ASP 572 CO 0.02 -0.90 2.11 0.00 0.21 0.00 0.00 175.17 176.61 3e1f n GLN 573 N 3.13 4.19 -4.11 8.23 6.02 0.26 -3.87 117.38 131.22 3e1f n GLN 573 Ca 0.12 -3.57 -0.33 0.00 -0.01 0.00 0.00 57.00 53.21 3e1f n GLN 573 Cb 0.37 -2.75 -0.07 0.00 1.02 0.00 0.00 30.24 28.81 3e1f n GLN 573 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3e1f s SER 574 N 0.43 5.65 0.13 1.08 1.04 -1.26 -4.67 113.70 116.09 3e1f s SER 574 Ca 0.46 0.14 0.06 0.00 0.48 0.00 0.00 55.95 57.10 3e1f s SER 574 Cb 0.14 -1.62 -0.04 0.00 0.10 0.00 0.00 66.02 64.60 3e1f s SER 574 CO -0.04 0.28 -0.02 -0.76 0.98 0.00 0.00 173.24 173.67 3e1f s LEU 575 N -1.70 3.32 -0.15 2.42 1.43 -0.43 -4.37 118.68 119.20 3e1f s LEU 575 Ca 0.22 -0.30 -0.20 0.00 -1.03 0.00 0.00 54.13 52.82 3e1f s LEU 575 Cb -0.12 -2.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 3e1f s LEU 575 CO 0.13 0.14 0.59 -0.63 0.23 0.00 0.00 176.35 176.82 3e1f s ILE 576 N -1.45 5.08 0.45 -0.59 -1.09 -0.68 0.38 121.20 123.31 3e1f s ILE 576 Ca 0.25 1.15 0.04 0.00 -2.23 0.00 0.00 60.65 59.87 3e1f s ILE 576 Cb -0.11 -3.92 -0.05 0.00 -1.58 0.00 0.00 42.46 36.81 3e1f s ILE 576 CO 0.17 0.20 0.01 -0.54 -1.23 0.00 0.00 174.94 173.55 3e1f s LYS 577 N 1.33 2.06 -0.02 2.79 1.02 -0.71 -4.94 119.74 121.28 3e1f s LYS 577 Ca 0.29 -2.23 0.02 0.00 0.02 0.00 0.00 55.97 54.06 3e1f s LYS 577 Cb -0.16 -1.60 0.00 0.00 -0.52 0.00 0.00 37.83 35.56 3e1f s LYS 577 CO 0.12 -0.18 -0.06 0.71 -0.92 0.00 0.00 175.35 175.02 3e1f s TYR 578 N -2.78 0.61 0.92 3.18 1.51 -1.26 -1.70 117.35 117.84 3e1f s TYR 578 Ca 0.22 -0.13 -0.13 0.00 -1.01 0.00 0.00 57.07 56.03 3e1f s TYR 578 Cb 0.06 -0.46 0.20 0.00 -0.11 0.00 0.00 41.96 41.65 3e1f s TYR 578 CO 0.12 -0.07 1.27 0.16 -1.11 0.00 0.00 175.55 175.92 3e1f s ASP 579 N 0.22 3.25 0.31 2.29 -4.77 -0.88 -4.85 116.67 112.25 3e1f s ASP 579 Ca -0.02 0.07 0.08 0.00 -3.30 0.00 0.00 52.55 49.38 3e1f s ASP 579 Cb -0.07 -0.14 0.85 0.00 -1.09 0.00 0.00 42.92 42.47 3e1f s ASP 579 CO -0.00 -2.63 1.74 1.05 0.70 0.00 0.00 175.17 176.03 3e1f h GLU 580 N -1.46 0.59 0.00 2.11 9.09 -2.02 0.26 114.58 123.15 3e1f h GLU 580 Ca -0.42 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 58.95 3e1f h GLU 580 Cb 1.23 -0.13 0.00 0.00 -1.65 0.00 0.00 28.75 28.20 3e1f h GLU 580 CO 0.36 0.39 0.00 0.09 0.05 0.00 0.00 179.01 179.90 3e1f n ASN 581 N -4.87 0.18 0.00 3.06 3.02 -1.26 -4.88 115.26 110.51 3e1f n ASN 581 Ca 0.26 0.54 0.00 0.00 -0.03 0.00 0.00 54.58 55.35 3e1f n ASN 581 Cb 0.71 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 3e1f n ASN 581 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3e1f n GLY 582 N 0.42 0.84 3.87 7.41 0.00 0.90 -5.07 105.19 113.56 3e1f n GLY 582 Ca 0.04 -0.63 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 3e1f n GLY 582 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3e1f s ASN 583 N -2.68 6.39 0.35 1.61 -0.87 -1.26 -4.85 114.94 113.63 3e1f s ASN 583 Ca 0.00 0.47 -0.23 0.00 -1.57 0.00 0.00 52.86 51.53 3e1f s ASN 583 Cb 0.00 -2.07 -0.10 0.00 -0.02 0.00 0.00 41.25 39.06 3e1f s ASN 583 CO 0.00 0.40 0.91 -2.16 -2.57 0.00 0.00 177.10 173.68 3e1f s PRO 584 N -0.99 4.38 -0.05 -0.60 0.04 -1.26 -2.06 135.00 134.47 3e1f s PRO 584 Ca 0.15 1.16 -0.18 0.00 0.04 0.00 0.00 61.00 62.16 3e1f s PRO 584 Cb -0.12 -2.56 0.04 0.00 0.04 0.00 0.00 34.50 31.89 3e1f s PRO 584 CO 0.04 0.17 0.42 1.67 0.04 0.00 0.00 177.00 179.34 3e1f s TRP 585 N -1.83 -0.35 -0.09 0.56 1.48 -0.69 -4.97 118.94 113.06 3e1f s TRP 585 Ca 0.54 0.65 -0.30 0.00 -1.06 0.00 0.00 56.10 55.93 3e1f s TRP 585 Cb -0.14 0.18 -0.03 0.00 -1.16 0.00 0.00 33.47 32.32 3e1f s TRP 585 CO 0.19 -0.41 1.21 -1.12 -4.06 0.00 0.00 176.95 172.76 3e1f s SER 586 N -0.97 7.03 0.21 -2.66 0.01 -1.26 -1.74 113.70 114.32 3e1f s SER 586 Ca -0.10 1.77 0.10 0.00 1.31 0.00 0.00 55.95 59.02 3e1f s SER 586 Cb -0.04 -2.55 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 3e1f s SER 586 CO 0.05 -0.63 -0.12 0.00 0.41 0.00 0.00 173.24 172.95 3e1f s ALA 587 N 2.55 2.89 0.00 1.44 0.00 0.16 -4.93 121.76 123.87 3e1f s ALA 587 Ca 0.55 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.91 3e1f s ALA 587 Cb -0.24 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.28 3e1f s ALA 587 CO 0.20 0.39 0.00 2.48 0.00 0.00 0.00 175.76 178.83 3e1f n TYR 588 N -0.21 0.00 -1.54 0.00 0.18 -1.26 -1.31 117.16 113.02 3e1f n TYR 588 Ca -0.09 0.00 -0.57 0.00 1.88 0.00 0.00 57.90 59.12 3e1f n TYR 588 Cb 0.57 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.46 3e1f n TYR 588 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3e1f n GLY 589 N 0.25 -0.00 3.10 -7.48 0.00 -0.27 -1.25 105.19 99.55 3e1f n GLY 589 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.77 3e1f n GLY 589 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e1f n GLY 590 N 1.92 2.65 0.00 -0.02 0.00 -1.26 -4.59 105.19 103.89 3e1f n GLY 590 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3e1f n GLY 590 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3e1f n ASP 591 N 0.72 0.00 -0.16 1.61 8.00 -0.38 -0.61 116.55 125.74 3e1f n ASP 591 Ca 0.00 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.55 3e1f n ASP 591 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.17 3e1f n ASP 591 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3e1f n PHE 592 N -0.82 0.00 -0.80 1.24 3.01 -1.26 -4.93 117.46 113.90 3e1f n PHE 592 Ca 0.00 -0.60 0.00 0.00 1.01 0.00 0.00 57.45 57.86 3e1f n PHE 592 Cb 0.00 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.37 3e1f n PHE 592 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3e1f n GLY 593 N -0.83 1.27 3.74 1.37 0.00 0.22 -4.79 105.19 106.18 3e1f n GLY 593 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3e1f n GLY 593 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3e1f s ASP 594 N -3.14 6.70 -0.29 1.61 -4.77 -1.24 -4.99 116.67 110.55 3e1f s ASP 594 Ca 0.00 2.62 -0.24 0.00 -3.30 0.00 0.00 52.55 51.63 3e1f s ASP 594 Cb 0.00 -2.62 0.13 0.00 -1.09 0.00 0.00 42.92 39.34 3e1f s ASP 594 CO 0.00 -0.67 1.08 0.28 0.70 0.00 0.00 175.17 176.56 3e1f s THR 595 N 0.03 0.00 0.59 2.11 -1.32 -1.26 -4.03 115.64 111.76 3e1f s THR 595 Ca 0.59 0.00 -0.19 0.00 -1.21 0.00 0.00 61.69 60.88 3e1f s THR 595 Cb -0.41 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.55 3e1f s THR 595 CO 0.42 0.00 1.21 -2.84 -2.21 0.00 0.00 174.62 171.20 3e1f s PRO 596 N 0.34 2.96 0.17 7.08 0.02 -1.26 -5.13 135.00 139.18 3e1f s PRO 596 Ca 0.02 1.83 0.03 0.00 0.02 0.00 0.00 61.00 62.91 3e1f s PRO 596 Cb -0.05 -1.93 -0.05 0.00 0.02 0.00 0.00 34.50 32.50 3e1f s PRO 596 CO -0.09 -1.21 -0.04 0.54 -0.33 0.00 0.00 177.00 175.87 3e1f s ASN 597 N -1.59 1.55 -0.76 2.53 2.20 -1.26 -4.64 114.94 112.98 3e1f s ASN 597 Ca 0.78 -1.11 0.02 0.00 -0.94 0.00 0.00 52.86 51.61 3e1f s ASN 597 Cb -0.31 0.05 0.34 0.00 -2.00 0.00 0.00 41.25 39.33 3e1f s ASN 597 CO 0.33 -0.47 1.36 0.47 -2.94 0.00 0.00 177.10 175.85 3e1f n ASP 598 N -0.25 5.78 0.00 3.54 8.00 -0.75 -4.95 116.55 127.92 3e1f n ASP 598 Ca -0.08 -3.70 0.00 0.00 0.71 0.00 0.00 54.79 51.72 3e1f n ASP 598 Cb 0.62 -0.81 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 3e1f n ASP 598 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3e1f n ARG 599 N -0.21 0.00 -0.87 -1.24 5.12 -1.26 -1.78 116.66 116.42 3e1f n ARG 599 Ca 0.39 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 56.38 3e1f n ARG 599 Cb 0.35 0.00 0.40 0.00 -1.16 0.00 0.00 32.46 32.05 3e1f n ARG 599 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3e1f n GLN 600 N 13.10 4.77 0.00 5.56 0.00 -1.26 -1.11 117.38 138.44 3e1f n GLN 600 Ca 0.00 -3.14 0.04 0.00 0.00 0.00 0.00 57.00 53.90 3e1f n GLN 600 Cb 0.00 -2.23 0.26 0.00 0.00 0.00 0.00 30.24 28.27 3e1f n GLN 600 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3e1f n PHE 601 N 0.63 0.00 1.03 2.61 3.01 -0.73 -2.00 117.46 122.00 3e1f n PHE 601 Ca 0.28 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.86 3e1f n PHE 601 Cb 1.17 0.00 0.26 0.00 -0.01 0.00 0.00 39.48 40.90 3e1f n PHE 601 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3e1f s MET 603 N -1.89 2.15 -0.07 0.00 -1.94 -0.85 -0.58 119.30 116.13 3e1f s MET 603 Ca 0.33 -2.40 0.11 0.00 -1.71 0.00 0.00 55.69 52.01 3e1f s MET 603 Cb 0.20 -3.50 0.16 0.00 2.01 0.00 0.00 34.83 33.71 3e1f s MET 603 CO 0.31 -1.11 1.06 0.09 -0.01 0.00 0.00 175.02 175.36 3e1f n ASN 604 N 3.57 1.43 -4.92 3.03 5.03 -1.26 -4.21 115.26 117.92 3e1f n ASN 604 Ca 0.05 -2.57 -0.27 0.00 0.87 0.00 0.00 54.58 52.66 3e1f n ASN 604 Cb 0.37 -0.31 0.06 0.00 -1.02 0.00 0.00 39.78 38.88 3e1f n ASN 604 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3e1f s GLY 605 N -2.01 1.65 0.00 7.41 0.00 -1.24 -0.91 107.32 112.21 3e1f s GLY 605 Ca 0.18 -0.77 0.25 0.00 0.00 0.00 0.00 44.72 44.39 3e1f s GLY 605 CO 0.02 -0.37 1.44 1.04 0.00 0.00 0.00 173.10 175.23 3e1f n LEU 606 N -2.95 0.57 -4.00 0.66 4.77 0.30 -4.72 117.00 111.62 3e1f n LEU 606 Ca 0.07 -0.03 -0.09 0.00 -0.03 0.00 0.00 56.01 55.93 3e1f n LEU 606 Cb 0.60 -0.23 -0.10 0.00 -2.33 0.00 0.00 43.42 41.35 3e1f n LEU 606 CO 0.54 0.13 -0.32 0.68 -1.33 0.00 0.00 177.39 177.09 3e1f s VAL 607 N -2.93 0.15 0.75 4.08 -7.23 -0.88 -0.19 120.40 114.15 3e1f s VAL 607 Ca 0.13 -1.23 -0.11 0.00 -1.81 0.00 0.00 61.98 58.96 3e1f s VAL 607 Cb 0.18 -0.82 0.04 0.00 0.56 0.00 0.00 36.38 36.34 3e1f s VAL 607 CO 0.67 -0.68 1.08 -0.36 -0.31 0.00 0.00 175.10 175.50 3e1f s PHE 608 N -2.52 2.97 0.51 2.82 0.08 0.24 -1.62 117.98 120.46 3e1f s PHE 608 Ca -0.06 1.27 0.35 0.00 0.12 0.00 0.00 56.93 58.61 3e1f s PHE 608 Cb -0.02 -3.01 1.50 0.00 -0.57 0.00 0.00 43.02 40.91 3e1f s PHE 608 CO -0.05 -1.51 1.74 0.00 -0.10 0.00 0.00 175.22 175.30 3e1f h ALA 609 N -0.91 3.06 -0.42 5.36 0.00 -1.90 0.68 119.26 125.14 3e1f h ALA 609 Ca -0.45 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.33 3e1f h ALA 609 Cb 1.24 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 19.07 3e1f h ALA 609 CO 0.58 -1.49 0.15 -0.40 0.00 0.00 0.00 179.25 178.10 3e1f n ASP 610 N -4.28 3.57 -1.70 0.00 5.75 -1.26 -4.40 116.55 114.22 3e1f n ASP 610 Ca 0.30 -2.68 -0.20 0.00 -0.01 0.00 0.00 54.79 52.21 3e1f n ASP 610 Cb 1.34 -0.64 -0.07 0.00 -1.03 0.00 0.00 41.12 40.72 3e1f n ASP 610 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3e1f n ARG 611 N 0.04 -1.45 -2.99 0.11 3.00 0.24 -4.98 116.66 110.63 3e1f n ARG 611 Ca 0.23 1.17 -0.40 0.00 -0.01 0.00 0.00 57.85 58.83 3e1f n ARG 611 Cb 0.94 -5.58 -0.05 0.00 0.00 0.00 0.00 32.46 27.77 3e1f n ARG 611 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 3e1f s THR 612 N -2.80 4.98 0.56 0.55 2.01 -1.25 -4.80 115.64 114.90 3e1f s THR 612 Ca 0.00 1.50 -0.20 0.00 0.31 0.00 0.00 61.69 63.29 3e1f s THR 612 Cb 0.00 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.39 3e1f s THR 612 CO 0.00 0.15 1.14 -2.65 -0.69 0.00 0.00 174.62 172.58 3e1f n PRO 613 N 4.44 1.27 -2.92 4.92 -0.02 -1.26 -0.59 135.00 140.84 3e1f n PRO 613 Ca 0.01 0.47 -0.21 0.00 -2.02 0.00 0.00 63.50 61.76 3e1f n PRO 613 Cb 0.50 -2.33 0.02 0.00 -0.02 0.00 0.00 33.50 31.67 3e1f n PRO 613 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3e1f s HIS 614 N -1.39 3.00 0.18 6.00 3.76 0.73 -4.77 115.29 122.81 3e1f s HIS 614 Ca 0.73 -0.02 -0.13 0.00 -0.15 0.00 0.00 55.06 55.49 3e1f s HIS 614 Cb -0.43 -2.45 0.09 0.00 1.11 0.00 0.00 32.58 30.89 3e1f s HIS 614 CO 0.48 -0.52 1.85 -1.35 -0.85 0.00 0.00 174.74 174.35 3e1f h PRO 615 N 0.37 0.76 -0.70 8.40 0.11 -1.92 -2.72 132.00 136.29 3e1f h PRO 615 Ca -0.44 -0.05 0.20 0.00 0.11 0.00 0.00 66.00 65.83 3e1f h PRO 615 Cb 1.27 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 3e1f h PRO 615 CO 0.53 0.50 0.57 0.00 -0.21 0.00 0.00 178.00 179.39 3e1f h ALA 616 N 1.21 2.57 -0.88 -0.75 0.00 -1.88 -1.34 119.26 118.19 3e1f h ALA 616 Ca 0.21 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.17 3e1f h ALA 616 Cb -0.09 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 3e1f h ALA 616 CO -0.05 -0.93 0.57 1.25 0.00 0.00 0.00 179.25 180.09 3e1f h LEU 617 N 0.00 0.84 -0.74 0.00 5.85 -1.67 -0.94 115.31 118.66 3e1f h LEU 617 Ca 0.33 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 59.00 3e1f h LEU 617 Cb 1.48 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.31 3e1f h LEU 617 CO -0.00 0.53 0.23 0.00 -0.34 0.00 0.00 178.44 178.85 3e1f h THR 618 N 0.95 1.26 -0.42 1.05 1.03 -1.40 -1.36 112.91 114.02 3e1f h THR 618 Ca 0.39 -0.91 -0.01 0.00 -0.01 0.00 0.00 66.41 65.87 3e1f h THR 618 Cb 0.28 0.45 -0.02 0.00 -1.07 0.00 0.00 68.15 67.79 3e1f h THR 618 CO -0.15 0.36 0.23 -0.08 -0.01 0.00 0.00 175.52 175.86 3e1f h GLU 619 N 1.10 0.59 -0.06 0.00 4.57 -1.31 -2.32 114.58 117.15 3e1f h GLU 619 Ca 0.24 -0.07 0.03 0.00 -1.18 0.00 0.00 59.36 58.37 3e1f h GLU 619 Cb 0.31 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 3e1f h GLU 619 CO -0.01 0.48 -0.10 0.00 -1.18 0.00 0.00 179.01 178.20 3e1f h ALA 620 N 1.08 -0.06 -0.41 2.92 0.00 -1.00 -1.29 119.26 120.51 3e1f h ALA 620 Ca 0.15 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.17 3e1f h ALA 620 Cb 0.06 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 3e1f h ALA 620 CO -0.02 -0.57 -0.12 -0.22 0.00 0.00 0.00 179.25 178.31 3e1f h LYS 621 N -0.14 -0.02 0.27 0.00 3.64 -1.03 -1.07 116.57 118.20 3e1f h LYS 621 Ca 0.06 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3e1f h LYS 621 Cb 0.23 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 3e1f h LYS 621 CO -0.15 -0.02 -0.16 1.25 -2.27 0.00 0.00 179.45 178.11 3e1f h HIS 622 N -0.03 -0.41 0.00 1.91 2.76 -1.06 -2.80 115.15 115.52 3e1f h HIS 622 Ca 0.20 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.34 3e1f h HIS 622 Cb 0.32 0.14 -0.00 0.00 1.55 0.00 0.00 27.41 29.42 3e1f h HIS 622 CO -0.38 -0.25 -0.09 1.96 -1.30 0.00 0.00 177.93 177.87 3e1f h GLN 623 N -0.40 0.00 -0.68 5.26 1.08 -0.95 -2.59 115.11 116.82 3e1f h GLN 623 Ca -0.03 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.13 3e1f h GLN 623 Cb 0.33 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.73 3e1f h GLN 623 CO 0.03 0.09 0.06 1.04 -0.95 0.00 0.00 178.83 179.11 3e1f n GLN 624 N -3.64 4.12 -0.80 1.46 6.02 -0.43 -4.97 117.38 119.14 3e1f n GLN 624 Ca -0.02 -2.69 -0.32 0.00 -0.01 0.00 0.00 57.00 53.96 3e1f n GLN 624 Cb 0.21 -2.15 0.15 0.00 1.02 0.00 0.00 30.24 29.48 3e1f n GLN 624 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3e1f n GLN 625 N 0.39 -0.28 -0.16 -1.09 6.02 -0.98 -4.83 117.38 116.45 3e1f n GLN 625 Ca 0.27 -0.01 0.08 0.00 -0.01 0.00 0.00 57.00 57.32 3e1f n GLN 625 Cb 1.11 -2.35 0.17 0.00 1.02 0.00 0.00 30.24 30.19 3e1f n GLN 625 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3e1f n PHE 626 N -3.94 0.43 -4.15 1.08 3.01 -1.26 -4.90 117.46 107.73 3e1f n PHE 626 Ca 0.12 -0.32 -0.25 0.00 1.01 0.00 0.00 57.45 58.01 3e1f n PHE 626 Cb 0.52 -0.01 -0.17 0.00 -0.01 0.00 0.00 39.48 39.81 3e1f n PHE 626 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 3e1f s PHE 627 N -1.12 1.29 -0.09 1.38 0.08 -1.26 -0.06 117.98 118.20 3e1f s PHE 627 Ca 0.28 -0.54 -0.02 0.00 0.12 0.00 0.00 56.93 56.77 3e1f s PHE 627 Cb 0.16 -1.05 -0.03 0.00 -0.57 0.00 0.00 43.02 41.52 3e1f s PHE 627 CO 0.22 -0.37 0.00 -0.65 -0.10 0.00 0.00 175.22 174.32 3e1f s GLN 628 N 1.28 3.05 0.08 0.44 -1.52 -0.17 -4.93 119.66 117.89 3e1f s GLN 628 Ca -0.04 -0.41 0.08 0.00 -1.95 0.00 0.00 55.36 53.05 3e1f s GLN 628 Cb -0.14 -2.81 -0.03 0.00 -0.22 0.00 0.00 33.01 29.81 3e1f s GLN 628 CO -0.03 0.67 -0.21 -0.06 -0.25 0.00 0.00 175.29 175.41 3e1f s PHE 629 N -0.79 1.85 0.02 0.91 0.40 -1.26 -0.27 117.98 118.83 3e1f s PHE 629 Ca 0.12 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 56.07 3e1f s PHE 629 Cb -0.11 -1.06 -0.01 0.00 0.51 0.00 0.00 43.02 42.35 3e1f s PHE 629 CO 0.02 0.16 -0.05 1.03 0.70 0.00 0.00 175.22 177.09 3e1f s ARG 630 N -1.58 0.35 -0.05 0.44 0.52 -0.66 -4.97 118.95 113.02 3e1f s ARG 630 Ca 0.08 -0.43 0.06 0.00 -0.52 0.00 0.00 55.73 54.92 3e1f s ARG 630 Cb -0.09 -0.18 -0.01 0.00 0.52 0.00 0.00 34.95 35.18 3e1f s ARG 630 CO 0.03 0.04 -0.24 -1.17 0.02 0.00 0.00 175.30 173.98 3e1f s LEU 631 N -0.86 2.14 -0.35 2.53 2.96 -1.26 -0.23 118.68 123.60 3e1f s LEU 631 Ca -0.06 -0.47 -0.00 0.00 -0.22 0.00 0.00 54.13 53.38 3e1f s LEU 631 Cb -0.06 -1.39 0.13 0.00 0.50 0.00 0.00 46.19 45.38 3e1f s LEU 631 CO -0.00 0.27 0.20 -0.55 -1.32 0.00 0.00 176.35 174.95 3e1f s SER 632 N -0.33 3.15 0.67 3.68 0.15 -0.09 -5.02 113.70 115.91 3e1f s SER 632 Ca 0.01 -2.11 0.00 0.00 0.70 0.00 0.00 55.95 54.55 3e1f s SER 632 Cb -0.12 -0.48 0.00 0.00 -1.71 0.00 0.00 66.02 63.70 3e1f s SER 632 CO 0.02 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.75 3e1f n GLY 633 N 4.15 0.89 0.00 9.45 0.00 -1.26 -1.72 105.19 116.70 3e1f n GLY 633 Ca 0.09 0.40 0.09 0.00 0.00 0.00 0.00 46.02 46.60 3e1f n GLY 633 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3e1f n GLN 634 N 0.00 0.75 -3.89 1.61 1.13 -1.26 -4.96 117.38 110.75 3e1f n GLN 634 Ca 0.00 -0.05 -0.35 0.00 -1.94 0.00 0.00 57.00 54.66 3e1f n GLN 634 Cb 0.00 -1.40 -0.09 0.00 0.11 0.00 0.00 30.24 28.86 3e1f n GLN 634 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3e1f s THR 635 N -2.92 5.11 -0.20 5.09 2.01 -0.70 -1.57 115.64 122.46 3e1f s THR 635 Ca 0.03 0.08 -0.09 0.00 0.31 0.00 0.00 61.69 62.03 3e1f s THR 635 Cb 0.14 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 3e1f s THR 635 CO 0.78 0.48 0.10 -0.63 -0.69 0.00 0.00 174.62 174.65 3e1f s ILE 636 N 0.15 5.04 -0.22 1.82 1.01 0.89 -0.91 121.20 128.99 3e1f s ILE 636 Ca 0.07 0.06 -0.05 0.00 0.00 0.00 0.00 60.65 60.73 3e1f s ILE 636 Cb -0.12 -3.30 -0.02 0.00 0.01 0.00 0.00 42.46 39.04 3e1f s ILE 636 CO -0.00 0.43 -0.01 -0.70 0.00 0.00 0.00 174.94 174.66 3e1f s GLU 637 N 0.51 3.49 -0.20 2.79 2.12 0.68 -0.05 118.70 128.04 3e1f s GLU 637 Ca 0.05 -0.57 -0.06 0.00 0.36 0.00 0.00 54.97 54.75 3e1f s GLU 637 Cb -0.12 -3.08 -0.03 0.00 0.26 0.00 0.00 34.13 31.16 3e1f s GLU 637 CO 0.00 -0.14 0.04 0.08 -0.54 0.00 0.00 175.26 174.71 3e1f s VAL 638 N 1.36 4.41 -0.07 3.70 1.01 0.37 -1.65 120.40 129.54 3e1f s VAL 638 Ca 0.04 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 61.90 3e1f s VAL 638 Cb -0.14 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.22 3e1f s VAL 638 CO -0.00 0.43 -0.18 -0.89 0.00 0.00 0.00 175.10 174.46 3e1f s THR 639 N 0.77 2.72 0.02 3.92 2.01 0.62 -0.22 115.64 125.48 3e1f s THR 639 Ca 0.02 -0.83 -0.16 0.00 0.31 0.00 0.00 61.69 61.03 3e1f s THR 639 Cb -0.14 -2.06 -0.06 0.00 0.01 0.00 0.00 72.50 70.25 3e1f s THR 639 CO 0.02 0.57 0.47 -0.55 -0.69 0.00 0.00 174.62 174.43 3e1f s SER 640 N -0.28 6.89 -0.01 3.53 0.15 0.37 -1.00 113.70 123.35 3e1f s SER 640 Ca 0.01 1.05 0.14 0.00 0.70 0.00 0.00 55.95 57.86 3e1f s SER 640 Cb -0.13 -2.29 0.42 0.00 -1.71 0.00 0.00 66.02 62.31 3e1f s SER 640 CO 0.03 0.29 1.35 -0.62 1.20 0.00 0.00 173.24 175.48 3e1f n GLU 641 N 1.90 2.86 -2.44 5.44 1.02 0.92 -2.78 120.64 127.56 3e1f n GLU 641 Ca -0.12 -2.26 -0.32 0.00 -0.02 0.00 0.00 57.16 54.43 3e1f n GLU 641 Cb 0.52 -1.38 -0.04 0.00 -0.02 0.00 0.00 31.44 30.52 3e1f n GLU 641 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3e1f s TYR 642 N -1.07 3.35 -0.03 -0.32 2.02 -1.26 -4.86 117.35 115.17 3e1f s TYR 642 Ca 0.31 1.50 0.16 0.00 -0.37 0.00 0.00 57.07 58.68 3e1f s TYR 642 Cb 0.17 -2.84 -0.25 0.00 -0.40 0.00 0.00 41.96 38.64 3e1f s TYR 642 CO 0.21 -0.44 0.34 1.28 -1.57 0.00 0.00 175.55 175.36 3e1f n LEU 643 N -1.44 0.00 0.08 -1.29 4.77 -1.26 -2.00 117.00 115.86 3e1f n LEU 643 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3e1f n LEU 643 Cb 0.54 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 3e1f n LEU 643 CO 0.44 0.02 -0.02 0.49 -1.33 0.00 0.00 177.39 177.00 3e1f n PHE 644 N -2.09 -0.91 -0.77 -1.77 3.72 -1.26 -4.86 117.46 109.52 3e1f n PHE 644 Ca -0.04 0.16 -0.29 0.00 -0.05 0.00 0.00 57.45 57.23 3e1f n PHE 644 Cb 0.45 0.21 0.20 0.00 -0.94 0.00 0.00 39.48 39.41 3e1f n PHE 644 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 3e1f s ARG 645 N -2.00 0.13 0.20 -1.08 1.70 -1.26 -4.61 118.95 112.03 3e1f s ARG 645 Ca 0.00 0.99 0.07 0.00 -0.47 0.00 0.00 55.73 56.32 3e1f s ARG 645 Cb 0.00 -1.67 -0.04 0.00 -0.57 0.00 0.00 34.95 32.68 3e1f s ARG 645 CO 0.00 -3.06 0.06 -1.58 -1.08 0.00 0.00 175.30 169.64 3e1f s HIS 646 N -2.65 2.92 -1.37 5.89 5.65 -1.26 -3.13 115.29 121.34 3e1f s HIS 646 Ca 0.67 -0.12 -0.11 0.00 0.25 0.00 0.00 55.06 55.74 3e1f s HIS 646 Cb -0.22 -1.37 -0.06 0.00 -1.18 0.00 0.00 32.58 29.74 3e1f s HIS 646 CO 0.61 0.54 2.55 -1.13 -0.65 0.00 0.00 174.74 176.66 3e1f n SER 647 N -0.50 6.49 -0.34 9.88 3.41 -0.55 -4.59 113.62 127.43 3e1f n SER 647 Ca -0.08 -2.58 0.06 0.00 -0.26 0.00 0.00 58.87 56.00 3e1f n SER 647 Cb 0.56 -1.44 0.22 0.00 -0.26 0.00 0.00 64.21 63.29 3e1f n SER 647 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3e1f n ASP 648 N 4.51 1.00 -2.74 4.04 5.68 -1.26 -3.79 116.55 123.99 3e1f n ASP 648 Ca 0.64 -1.85 -0.04 0.00 -0.50 0.00 0.00 54.79 53.04 3e1f n ASP 648 Cb 0.25 -0.10 0.06 0.00 -1.14 0.00 0.00 41.12 40.19 3e1f n ASP 648 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3e1f n ASN 649 N -0.02 0.80 -3.76 -1.12 5.15 -1.26 -5.07 115.26 109.98 3e1f n ASN 649 Ca 0.10 -2.35 -0.13 0.00 -0.60 0.00 0.00 54.58 51.60 3e1f n ASN 649 Cb 0.18 -0.20 -0.08 0.00 -0.53 0.00 0.00 39.78 39.15 3e1f n ASN 649 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3e1f s GLU 650 N -2.67 0.72 -0.10 1.20 8.01 -1.25 -4.05 118.70 120.56 3e1f s GLU 650 Ca 0.24 -0.28 -0.07 0.00 0.01 0.00 0.00 54.97 54.87 3e1f s GLU 650 Cb 0.40 0.31 0.03 0.00 -4.31 0.00 0.00 34.13 30.57 3e1f s GLU 650 CO -0.03 -0.21 0.25 -0.48 0.01 0.00 0.00 175.26 174.81 3e1f s LEU 651 N -1.55 0.76 0.14 1.80 2.34 -0.57 -2.24 118.68 119.37 3e1f s LEU 651 Ca -0.11 0.52 -0.30 0.00 0.06 0.00 0.00 54.13 54.30 3e1f s LEU 651 Cb -0.04 0.81 -0.07 0.00 -0.56 0.00 0.00 46.19 46.34 3e1f s LEU 651 CO 0.02 -0.12 1.03 -0.22 -1.06 0.00 0.00 176.35 176.00 3e1f s LEU 652 N 0.63 4.50 -0.23 1.48 2.96 0.12 -1.52 118.68 126.62 3e1f s LEU 652 Ca -0.04 1.93 0.01 0.00 -0.22 0.00 0.00 54.13 55.81 3e1f s LEU 652 Cb -0.05 -3.60 0.05 0.00 0.50 0.00 0.00 46.19 43.09 3e1f s LEU 652 CO -0.04 -0.13 -0.08 -2.28 -1.32 0.00 0.00 176.35 172.49 3e1f s HIS 653 N -0.11 2.61 0.34 5.38 5.65 0.18 -1.07 115.29 128.27 3e1f s HIS 653 Ca 0.48 -1.83 0.08 0.00 0.25 0.00 0.00 55.06 54.04 3e1f s HIS 653 Cb -0.26 -1.68 -0.04 0.00 -1.18 0.00 0.00 32.58 29.41 3e1f s HIS 653 CO 0.32 -0.79 0.12 1.67 -0.65 0.00 0.00 174.74 175.41 3e1f s TRP 654 N 1.33 2.69 -0.29 3.88 1.48 -1.06 -0.29 118.94 126.68 3e1f s TRP 654 Ca -0.05 -0.38 -0.18 0.00 -1.06 0.00 0.00 56.10 54.43 3e1f s TRP 654 Cb -0.18 -1.60 0.14 0.00 -1.16 0.00 0.00 33.47 30.67 3e1f s TRP 654 CO -0.07 0.37 0.98 1.41 -4.06 0.00 0.00 176.95 175.59 3e1f s MET 655 N -3.82 0.41 -0.12 3.25 1.75 -0.62 -2.19 119.30 117.96 3e1f s MET 655 Ca 0.37 0.66 -0.05 0.00 -1.25 0.00 0.00 55.69 55.42 3e1f s MET 655 Cb -0.02 0.11 -0.04 0.00 2.84 0.00 0.00 34.83 37.72 3e1f s MET 655 CO 0.22 -0.08 0.05 0.08 -0.65 0.00 0.00 175.02 174.65 3e1f s VAL 656 N 1.09 4.76 -0.07 10.11 1.01 -0.56 -1.45 120.40 135.28 3e1f s VAL 656 Ca -0.06 -0.07 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 3e1f s VAL 656 Cb -0.04 -3.07 0.03 0.00 0.00 0.00 0.00 36.38 33.30 3e1f s VAL 656 CO -0.13 0.57 0.18 0.00 0.00 0.00 0.00 175.10 175.71 3e1f s ALA 657 N -0.53 -0.41 -0.41 5.51 0.00 -1.04 -0.96 121.76 123.92 3e1f s ALA 657 Ca 0.10 0.60 -0.21 0.00 0.00 0.00 0.00 51.96 52.46 3e1f s ALA 657 Cb -0.12 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.65 3e1f s ALA 657 CO 0.02 -0.12 0.64 -1.17 0.00 0.00 0.00 175.76 175.13 3e1f s LEU 658 N 0.51 4.42 -1.21 0.00 2.96 0.19 -1.02 118.68 124.53 3e1f s LEU 658 Ca -0.03 -0.19 -0.14 0.00 -0.22 0.00 0.00 54.13 53.54 3e1f s LEU 658 Cb -0.05 -2.74 0.02 0.00 0.50 0.00 0.00 46.19 43.92 3e1f s LEU 658 CO -0.02 -0.72 0.27 0.47 -1.32 0.00 0.00 176.35 175.03 3e1f n ASP 659 N 6.19 -1.17 0.00 3.68 8.00 -0.91 -0.14 116.55 132.20 3e1f n ASP 659 Ca -0.02 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.36 3e1f n ASP 659 Cb 0.48 -1.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.21 3e1f n ASP 659 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3e1f n GLY 660 N -2.19 2.76 3.61 0.44 0.00 -1.26 -4.80 105.19 103.75 3e1f n GLY 660 Ca -0.20 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 3e1f n GLY 660 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3e1f s LYS 661 N 0.00 3.60 0.66 1.61 1.02 0.80 -4.78 119.74 122.66 3e1f s LYS 661 Ca 0.00 1.12 -0.16 0.00 0.02 0.00 0.00 55.97 56.95 3e1f s LYS 661 Cb 0.00 -4.03 0.00 0.00 -0.52 0.00 0.00 37.83 33.28 3e1f s LYS 661 CO 0.00 -1.53 1.15 -1.25 -0.92 0.00 0.00 175.35 172.80 3e1f s PRO 662 N 4.93 2.67 0.10 -1.68 0.04 -1.26 0.53 135.00 140.33 3e1f s PRO 662 Ca 0.65 1.58 0.00 0.00 0.04 0.00 0.00 61.00 63.26 3e1f s PRO 662 Cb -0.16 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3e1f s PRO 662 CO 0.31 -1.39 0.00 1.28 0.04 0.00 0.00 177.00 177.24 3e1f n LEU 663 N -2.30 0.23 -4.37 -3.56 4.77 -0.13 -4.80 117.00 106.83 3e1f n LEU 663 Ca 0.12 0.17 -0.19 0.00 -0.03 0.00 0.00 56.01 56.08 3e1f n LEU 663 Cb 0.51 0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.52 3e1f n LEU 663 CO 0.47 -0.52 -0.28 0.00 -1.33 0.00 0.00 177.39 175.72 3e1f s ALA 664 N -2.00 2.01 0.04 -1.18 0.00 -1.19 -5.02 121.76 114.43 3e1f s ALA 664 Ca 0.00 -1.91 -0.28 0.00 0.00 0.00 0.00 51.96 49.77 3e1f s ALA 664 Cb 0.00 0.72 0.10 0.00 0.00 0.00 0.00 23.12 23.94 3e1f s ALA 664 CO 0.00 -0.33 1.19 -1.54 0.00 0.00 0.00 175.76 175.08 3e1f s SER 665 N -3.38 -0.06 0.00 0.00 1.04 -1.26 -1.50 113.70 108.54 3e1f s SER 665 Ca 0.34 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.50 3e1f s SER 665 Cb 0.07 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.46 3e1f s SER 665 CO 0.13 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.45 3e1f n GLY 666 N -0.60 -0.67 3.55 7.32 0.00 -0.93 -4.97 105.19 108.89 3e1f n GLY 666 Ca -0.05 -0.71 -0.01 0.00 0.00 0.00 0.00 46.02 45.25 3e1f n GLY 666 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3e1f s GLU 667 N -0.35 0.33 -0.09 1.61 -1.05 -1.26 -2.57 118.70 115.32 3e1f s GLU 667 Ca 0.00 0.66 0.01 0.00 -0.15 0.00 0.00 54.97 55.49 3e1f s GLU 667 Cb 0.00 0.21 -0.02 0.00 -0.44 0.00 0.00 34.13 33.88 3e1f s GLU 667 CO 0.00 -0.08 -0.13 0.08 0.95 0.00 0.00 175.26 176.08 3e1f s VAL 668 N 1.76 3.14 0.52 1.83 1.01 -0.23 -4.96 120.40 123.46 3e1f s VAL 668 Ca -0.06 -0.66 -0.21 0.00 0.00 0.00 0.00 61.98 61.04 3e1f s VAL 668 Cb -0.04 -2.28 -0.06 0.00 0.00 0.00 0.00 36.38 34.00 3e1f s VAL 668 CO -0.16 0.56 1.16 -2.16 0.00 0.00 0.00 175.10 174.50 3e1f s PRO 669 N -0.22 3.47 -0.23 2.72 0.04 -1.26 0.12 135.00 139.64 3e1f s PRO 669 Ca 0.01 1.71 -0.13 0.00 0.04 0.00 0.00 61.00 62.62 3e1f s PRO 669 Cb -0.13 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 3e1f s PRO 669 CO 0.03 -0.78 0.29 -0.51 0.04 0.00 0.00 177.00 176.07 3e1f s LEU 670 N -3.53 4.12 -0.54 -3.56 1.43 -0.95 -4.71 118.68 110.94 3e1f s LEU 670 Ca 0.70 0.30 0.06 0.00 -1.03 0.00 0.00 54.13 54.16 3e1f s LEU 670 Cb -0.27 -2.32 0.23 0.00 0.03 0.00 0.00 46.19 43.86 3e1f s LEU 670 CO 0.31 -0.03 0.58 -0.67 0.23 0.00 0.00 176.35 176.77 3e1f n ASP 671 N 4.55 1.92 -4.36 2.29 2.03 -1.26 -4.62 116.55 117.09 3e1f n ASP 671 Ca -0.11 -3.02 -0.33 0.00 0.52 0.00 0.00 54.79 51.84 3e1f n ASP 671 Cb 0.51 -0.66 -0.14 0.00 -0.72 0.00 0.00 41.12 40.11 3e1f n ASP 671 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3e1f s VAL 672 N -1.58 3.03 0.41 5.18 1.01 -1.26 -4.89 120.40 122.30 3e1f s VAL 672 Ca 0.35 -0.66 -0.17 0.00 0.00 0.00 0.00 61.98 61.49 3e1f s VAL 672 Cb 0.12 -2.28 -0.09 0.00 0.00 0.00 0.00 36.38 34.12 3e1f s VAL 672 CO -0.09 0.52 0.88 0.00 0.00 0.00 0.00 175.10 176.40 3e1f s ALA 673 N 0.42 3.16 0.19 5.51 0.00 -1.26 -1.47 121.76 128.30 3e1f s ALA 673 Ca -0.10 0.20 -0.33 0.00 0.00 0.00 0.00 51.96 51.74 3e1f s ALA 673 Cb -0.16 -2.99 -0.15 0.00 0.00 0.00 0.00 23.12 19.82 3e1f s ALA 673 CO 0.05 0.12 1.26 -0.35 0.00 0.00 0.00 175.76 176.84 3e1f n PRO 674 N -0.78 1.46 0.00 0.00 -0.04 -1.18 0.13 135.00 134.59 3e1f n PRO 674 Ca 0.05 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 64.03 3e1f n PRO 674 Cb 0.54 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.92 3e1f n PRO 674 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3e1f n GLN 675 N 1.94 0.00 -1.77 0.54 1.13 -0.85 -4.93 117.38 113.44 3e1f n GLN 675 Ca 0.14 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.91 3e1f n GLN 675 Cb 0.26 -1.75 0.18 0.00 0.11 0.00 0.00 30.24 29.04 3e1f n GLN 675 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3e1f s GLY 676 N -1.59 1.71 0.13 1.08 0.00 0.36 -4.61 107.32 104.40 3e1f s GLY 676 Ca 0.00 -1.05 0.06 0.00 0.00 0.00 0.00 44.72 43.73 3e1f s GLY 676 CO 0.00 -0.31 -0.14 0.54 0.00 0.00 0.00 173.10 173.19 3e1f s LYS 677 N -5.74 1.05 -0.05 2.90 1.02 -1.26 -0.48 119.74 117.18 3e1f s LYS 677 Ca 0.71 -1.27 -0.02 0.00 0.02 0.00 0.00 55.97 55.41 3e1f s LYS 677 Cb -0.06 -0.91 0.03 0.00 -0.52 0.00 0.00 37.83 36.36 3e1f s LYS 677 CO 0.53 0.17 0.11 -1.14 -0.92 0.00 0.00 175.35 174.10 3e1f s GLN 678 N -2.78 0.07 -0.15 1.68 0.74 0.69 -4.85 119.66 115.06 3e1f s GLN 678 Ca 0.10 0.27 -0.08 0.00 0.05 0.00 0.00 55.36 55.70 3e1f s GLN 678 Cb -0.04 -0.13 -0.04 0.00 1.10 0.00 0.00 33.01 33.89 3e1f s GLN 678 CO 0.03 -0.12 0.12 -0.51 -0.55 0.00 0.00 175.29 174.25 3e1f s LEU 679 N 0.85 4.20 -0.16 3.68 1.43 -1.26 -0.48 118.68 126.94 3e1f s LEU 679 Ca -0.07 0.31 0.01 0.00 -1.03 0.00 0.00 54.13 53.35 3e1f s LEU 679 Cb -0.09 -2.05 0.02 0.00 0.03 0.00 0.00 46.19 44.11 3e1f s LEU 679 CO -0.04 0.30 -0.16 -0.63 0.23 0.00 0.00 176.35 176.05 3e1f s ILE 680 N -0.35 1.73 -0.46 -0.59 1.01 0.93 -4.97 121.20 118.50 3e1f s ILE 680 Ca 0.11 -0.73 -0.19 0.00 0.00 0.00 0.00 60.65 59.84 3e1f s ILE 680 Cb -0.12 -1.60 0.04 0.00 0.01 0.00 0.00 42.46 40.79 3e1f s ILE 680 CO 0.01 0.49 0.55 -0.70 0.00 0.00 0.00 174.94 175.29 3e1f s GLU 681 N 1.42 3.14 0.37 2.79 2.56 -1.26 -0.07 118.70 127.64 3e1f s GLU 681 Ca 0.05 -0.77 -0.26 0.00 0.00 0.00 0.00 54.97 53.99 3e1f s GLU 681 Cb -0.13 -4.03 -0.09 0.00 2.00 0.00 0.00 34.13 31.89 3e1f s GLU 681 CO -0.11 -1.05 1.11 -0.51 -0.56 0.00 0.00 175.26 174.14 3e1f s LEU 682 N 2.44 4.26 0.80 2.70 1.43 -0.61 -5.00 118.68 124.71 3e1f s LEU 682 Ca 0.15 2.22 -0.12 0.00 -1.03 0.00 0.00 54.13 55.35 3e1f s LEU 682 Cb -0.18 -3.99 0.08 0.00 0.03 0.00 0.00 46.19 42.13 3e1f s LEU 682 CO 0.14 -0.49 1.13 -2.16 0.23 0.00 0.00 176.35 175.20 3e1f s PRO 683 N -2.17 1.87 -0.90 1.29 0.04 -1.26 -4.68 135.00 129.19 3e1f s PRO 683 Ca 0.54 1.43 -0.20 0.00 0.04 0.00 0.00 61.00 62.82 3e1f s PRO 683 Cb -0.28 -1.83 -0.24 0.00 0.04 0.00 0.00 34.50 32.19 3e1f s PRO 683 CO 0.35 -1.98 2.38 -1.91 0.04 0.00 0.00 177.00 175.89 3e1f n GLU 684 N -3.50 0.23 -1.33 4.56 2.13 -1.26 -4.80 120.64 116.67 3e1f n GLU 684 Ca 0.11 -0.16 -0.38 0.00 0.66 0.00 0.00 57.16 57.39 3e1f n GLU 684 Cb 0.52 -1.94 0.04 0.00 0.27 0.00 0.00 31.44 30.33 3e1f n GLU 684 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3e1f n LEU 685 N 10.61 -0.47 -4.73 4.31 4.77 -1.26 -4.84 117.00 125.39 3e1f n LEU 685 Ca 0.60 0.64 -0.42 0.00 -0.03 0.00 0.00 56.01 56.80 3e1f n LEU 685 Cb 0.21 -1.10 -0.02 0.00 -2.33 0.00 0.00 43.42 40.18 3e1f n LEU 685 CO 0.90 -3.59 1.26 -0.81 -1.33 0.00 0.00 177.39 173.83 3e1f n PRO 686 N 0.19 2.64 -2.69 3.23 -0.04 -1.26 -4.92 135.00 132.14 3e1f n PRO 686 Ca 0.10 0.94 -0.43 0.00 -0.04 0.00 0.00 63.50 64.07 3e1f n PRO 686 Cb 0.49 -2.73 -0.03 0.00 -0.04 0.00 0.00 33.50 31.18 3e1f n PRO 686 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 3e1f s GLN 687 N 0.10 3.60 1.03 0.54 2.00 -1.26 -5.01 119.66 120.64 3e1f s GLN 687 Ca 0.69 0.32 -0.11 0.00 -2.00 0.00 0.00 55.36 54.25 3e1f s GLN 687 Cb -0.52 -3.94 0.21 0.00 0.80 0.00 0.00 33.01 29.55 3e1f s GLN 687 CO 0.43 -1.38 1.08 -1.25 -0.50 0.00 0.00 175.29 173.67 3e1f s PRO 688 N 4.26 0.17 0.13 1.67 0.04 -1.26 -4.99 135.00 135.01 3e1f s PRO 688 Ca 0.42 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.58 3e1f s PRO 688 Cb -0.09 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.79 3e1f s PRO 688 CO 0.28 -3.07 0.00 -0.85 0.04 0.00 0.00 177.00 173.40 3e1f n GLU 689 N -4.49 0.00 -0.83 4.56 0.28 -1.26 -5.10 120.64 113.80 3e1f n GLU 689 Ca 0.07 0.00 -0.33 0.00 -0.16 0.00 0.00 57.16 56.74 3e1f n GLU 689 Cb 0.54 -0.09 0.11 0.00 1.43 0.00 0.00 31.44 33.43 3e1f n GLU 689 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3e1f n SER 690 N -3.04 -2.74 -4.78 -1.84 2.88 -1.26 -4.91 113.62 97.93 3e1f n SER 690 Ca 0.00 0.29 -0.35 0.00 -1.33 0.00 0.00 58.87 57.48 3e1f n SER 690 Cb 0.00 -1.12 -0.02 0.00 -0.75 0.00 0.00 64.21 62.32 3e1f n SER 690 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3e1f s ALA 691 N -2.33 2.84 0.00 -1.46 0.00 -1.26 -4.86 121.76 114.69 3e1f s ALA 691 Ca 0.54 0.76 0.00 0.00 0.00 0.00 0.00 51.96 53.25 3e1f s ALA 691 Cb -0.20 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.60 3e1f s ALA 691 CO 0.70 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 176.33 3e1f n GLY 692 N 0.08 -0.59 3.13 0.00 0.00 -0.93 -4.96 105.19 101.92 3e1f n GLY 692 Ca 0.09 -1.58 -0.33 0.00 0.00 0.00 0.00 46.02 44.21 3e1f n GLY 692 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3e1f s GLN 693 N -1.81 2.88 -0.07 1.61 2.00 -1.26 -0.92 119.66 122.08 3e1f s GLN 693 Ca 0.00 -0.92 -0.30 0.00 -2.00 0.00 0.00 55.36 52.15 3e1f s GLN 693 Cb 0.00 -2.69 -0.02 0.00 0.80 0.00 0.00 33.01 31.10 3e1f s GLN 693 CO 0.00 -0.29 1.02 -0.51 -0.50 0.00 0.00 175.29 175.01 3e1f s LEU 694 N 1.27 4.28 -0.23 3.68 1.43 -0.65 -2.15 118.68 126.32 3e1f s LEU 694 Ca 0.02 1.59 0.02 0.00 -1.03 0.00 0.00 54.13 54.73 3e1f s LEU 694 Cb -0.15 -3.56 0.04 0.00 0.03 0.00 0.00 46.19 42.56 3e1f s LEU 694 CO -0.10 -0.41 -0.14 0.26 0.23 0.00 0.00 176.35 176.19 3e1f s TRP 695 N 1.76 3.07 0.06 0.29 0.52 -0.19 0.66 118.94 125.12 3e1f s TRP 695 Ca 0.50 -2.01 -0.28 0.00 0.02 0.00 0.00 56.10 54.33 3e1f s TRP 695 Cb -0.20 -1.94 -0.05 0.00 -1.15 0.00 0.00 33.47 30.14 3e1f s TRP 695 CO 0.21 -0.84 0.89 -1.17 0.02 0.00 0.00 176.95 176.06 3e1f s LEU 696 N 1.19 4.46 -0.06 2.99 2.96 -0.24 -2.49 118.68 127.49 3e1f s LEU 696 Ca -0.03 1.64 -0.01 0.00 -0.22 0.00 0.00 54.13 55.50 3e1f s LEU 696 Cb -0.17 -3.45 0.03 0.00 0.50 0.00 0.00 46.19 43.10 3e1f s LEU 696 CO -0.08 -0.07 0.01 -0.89 -1.32 0.00 0.00 176.35 174.00 3e1f s THR 697 N 0.17 0.23 0.04 3.68 2.01 -0.53 -0.91 115.64 120.33 3e1f s THR 697 Ca 0.45 0.18 0.05 0.00 0.31 0.00 0.00 61.69 62.68 3e1f s THR 697 Cb -0.22 -0.40 -0.03 0.00 0.01 0.00 0.00 72.50 71.86 3e1f s THR 697 CO 0.27 0.22 -0.12 0.68 -0.69 0.00 0.00 174.62 174.98 3e1f s VAL 698 N 1.84 3.27 -0.03 3.82 -7.23 -0.48 -1.59 120.40 120.01 3e1f s VAL 698 Ca 0.02 -1.03 0.01 0.00 -1.81 0.00 0.00 61.98 59.17 3e1f s VAL 698 Cb -0.12 -2.43 0.02 0.00 0.56 0.00 0.00 36.38 34.40 3e1f s VAL 698 CO -0.04 0.31 -0.02 -0.13 -0.31 0.00 0.00 175.10 174.91 3e1f s ARG 699 N -1.60 0.51 -0.11 4.82 0.52 0.61 -1.23 118.95 122.47 3e1f s ARG 699 Ca 0.17 -0.02 -0.20 0.00 -0.52 0.00 0.00 55.73 55.16 3e1f s ARG 699 Cb -0.11 -0.60 -0.04 0.00 0.52 0.00 0.00 34.95 34.72 3e1f s ARG 699 CO 0.08 -0.09 0.56 0.08 0.02 0.00 0.00 175.30 175.96 3e1f s VAL 700 N 0.84 5.13 -0.02 3.52 1.01 0.61 -0.64 120.40 130.84 3e1f s VAL 700 Ca -0.10 1.14 0.07 0.00 0.00 0.00 0.00 61.98 63.09 3e1f s VAL 700 Cb -0.13 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 3e1f s VAL 700 CO -0.01 0.29 -0.22 -0.69 0.00 0.00 0.00 175.10 174.47 3e1f s VAL 701 N 0.78 1.76 -0.55 2.92 1.01 -0.58 -1.88 120.40 123.86 3e1f s VAL 701 Ca 0.30 -0.94 -0.18 0.00 0.00 0.00 0.00 61.98 61.16 3e1f s VAL 701 Cb -0.16 -1.46 0.10 0.00 0.00 0.00 0.00 36.38 34.85 3e1f s VAL 701 CO 0.13 0.50 0.61 -1.10 0.00 0.00 0.00 175.10 175.24 3e1f s GLN 702 N -0.43 3.04 0.10 2.72 -0.21 0.51 -1.52 119.66 123.88 3e1f s GLN 702 Ca 0.06 -1.31 -0.21 0.00 0.02 0.00 0.00 55.36 53.92 3e1f s GLN 702 Cb -0.09 -4.22 -0.10 0.00 1.00 0.00 0.00 33.01 29.59 3e1f s GLN 702 CO -0.00 -1.38 1.73 -1.00 -2.12 0.00 0.00 175.29 172.52 3e1f h PRO 703 N 9.04 0.18 -6.60 2.91 0.13 -1.87 0.32 132.00 136.12 3e1f h PRO 703 Ca -0.29 -0.02 -0.51 0.00 -0.87 0.00 0.00 66.00 64.31 3e1f h PRO 703 Cb 1.09 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.16 3e1f h PRO 703 CO 1.04 0.15 0.17 -0.80 -0.23 0.00 0.00 178.00 178.33 3e1f s ASN 704 N -5.36 7.23 0.43 1.44 0.01 -1.26 -2.87 114.94 114.56 3e1f s ASN 704 Ca -0.13 1.57 -0.22 0.00 -0.71 0.00 0.00 52.86 53.36 3e1f s ASN 704 Cb 0.07 -2.47 -0.09 0.00 0.41 0.00 0.00 41.25 39.17 3e1f s ASN 704 CO 0.68 0.09 1.04 0.00 -1.51 0.00 0.00 177.10 177.40 3e1f s ALA 705 N -1.39 3.00 0.00 0.60 0.00 -1.26 -4.65 121.76 118.06 3e1f s ALA 705 Ca 0.41 0.64 0.00 0.00 0.00 0.00 0.00 51.96 53.01 3e1f s ALA 705 Cb -0.19 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.67 3e1f s ALA 705 CO 0.23 -0.22 0.00 0.25 0.00 0.00 0.00 175.76 176.02 3e1f n THR 706 N -0.44 0.00 0.17 0.00 -2.24 -0.14 -4.97 114.28 106.66 3e1f n THR 706 Ca 0.07 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.91 3e1f n THR 706 Cb 0.51 -0.31 0.09 0.00 -2.10 0.00 0.00 70.33 68.52 3e1f n THR 706 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3e1f h ALA 707 N 0.55 0.81 -0.00 6.98 0.00 -1.99 -3.33 119.26 122.29 3e1f h ALA 707 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3e1f h ALA 707 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3e1f h ALA 707 CO 0.00 0.37 -0.19 -2.67 0.00 0.00 0.00 179.25 176.76 3e1f n TRP 708 N -3.18 0.00 -4.43 0.00 4.27 -1.26 -5.04 117.44 107.80 3e1f n TRP 708 Ca 0.03 0.00 -0.22 0.00 -3.89 0.00 0.00 57.50 53.41 3e1f n TRP 708 Cb 0.65 0.00 -0.13 0.00 -1.36 0.00 0.00 31.31 30.47 3e1f n TRP 708 CO 0.00 0.00 0.00 -1.54 -2.29 0.00 0.00 177.69 173.86 3e1f s SER 709 N -1.34 2.07 1.16 -0.67 1.04 -1.25 -4.73 113.70 109.98 3e1f s SER 709 Ca 0.02 -0.52 -0.19 0.00 0.48 0.00 0.00 55.95 55.74 3e1f s SER 709 Cb 0.03 -0.14 0.27 0.00 0.10 0.00 0.00 66.02 66.28 3e1f s SER 709 CO 0.17 0.07 1.14 -1.83 0.98 0.00 0.00 173.24 173.77 3e1f s GLU 710 N -1.31 -0.92 0.30 4.02 1.03 -1.26 -0.97 118.70 119.59 3e1f s GLU 710 Ca 0.04 -0.10 -0.24 0.00 0.03 0.00 0.00 54.97 54.70 3e1f s GLU 710 Cb -0.09 -1.64 -0.09 0.00 -0.80 0.00 0.00 34.13 31.51 3e1f s GLU 710 CO 0.02 -3.50 0.88 0.00 -1.33 0.00 0.00 175.26 171.32 3e1f s ALA 711 N -3.13 3.26 -0.66 -0.84 0.00 -1.26 -3.54 121.76 115.58 3e1f s ALA 711 Ca 0.71 0.41 0.00 0.00 0.00 0.00 0.00 51.96 53.08 3e1f s ALA 711 Cb -0.09 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 19.96 3e1f s ALA 711 CO 0.56 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.95 3e1f n GLY 712 N 0.54 0.85 3.77 0.00 0.00 0.11 -4.96 105.19 105.50 3e1f n GLY 712 Ca 0.01 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 3e1f n GLY 712 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3e1f s HIS 713 N -2.17 2.60 -0.27 1.61 2.46 -1.08 -4.62 115.29 113.82 3e1f s HIS 713 Ca 0.00 1.25 -0.12 0.00 0.47 0.00 0.00 55.06 56.65 3e1f s HIS 713 Cb 0.00 -3.93 -0.05 0.00 -0.13 0.00 0.00 32.58 28.48 3e1f s HIS 713 CO 0.00 -2.80 0.25 0.42 -2.47 0.00 0.00 174.74 170.14 3e1f s ILE 714 N -1.17 5.27 -0.41 0.89 1.01 -1.26 -0.36 121.20 125.17 3e1f s ILE 714 Ca 0.56 0.30 0.22 0.00 0.00 0.00 0.00 60.65 61.72 3e1f s ILE 714 Cb -0.44 -3.58 -0.24 0.00 0.01 0.00 0.00 42.46 38.21 3e1f s ILE 714 CO 0.58 0.23 0.74 -1.54 0.00 0.00 0.00 174.94 174.95 3e1f n SER 715 N 5.11 0.44 -3.59 3.58 3.41 -0.79 -5.01 113.62 116.77 3e1f n SER 715 Ca -0.12 -0.27 -0.06 0.00 -0.26 0.00 0.00 58.87 58.15 3e1f n SER 715 Cb 0.52 1.39 -0.02 0.00 -0.26 0.00 0.00 64.21 65.84 3e1f n SER 715 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3e1f s ALA 716 N -3.31 -1.79 0.15 7.33 0.00 -1.24 -4.67 121.76 118.23 3e1f s ALA 716 Ca -0.01 0.74 -0.24 0.00 0.00 0.00 0.00 51.96 52.44 3e1f s ALA 716 Cb 0.14 0.47 0.06 0.00 0.00 0.00 0.00 23.12 23.79 3e1f s ALA 716 CO 0.87 -0.81 0.78 1.67 0.00 0.00 0.00 175.76 178.27 3e1f s TRP 717 N -3.12 -0.31 -0.17 0.00 -2.14 -1.26 -0.28 118.94 111.65 3e1f s TRP 717 Ca 0.08 0.04 -0.28 0.00 2.66 0.00 0.00 56.10 58.59 3e1f s TRP 717 Cb -0.01 0.61 0.10 0.00 -3.10 0.00 0.00 33.47 31.07 3e1f s TRP 717 CO -0.05 -0.87 0.84 -1.14 -2.66 0.00 0.00 176.95 173.07 3e1f s GLN 718 N -3.53 0.78 0.22 3.25 2.00 -0.37 -4.99 119.66 117.03 3e1f s GLN 718 Ca 0.07 0.45 0.11 0.00 -2.00 0.00 0.00 55.36 53.99 3e1f s GLN 718 Cb -0.02 0.37 -0.05 0.00 0.80 0.00 0.00 33.01 34.11 3e1f s GLN 718 CO -0.04 -0.19 -0.23 -0.65 -0.50 0.00 0.00 175.29 173.69 3e1f s GLN 719 N -0.57 1.56 -0.07 1.67 -0.21 -1.26 -1.38 119.66 119.40 3e1f s GLN 719 Ca -0.04 -1.60 -0.06 0.00 0.02 0.00 0.00 55.36 53.69 3e1f s GLN 719 Cb -0.02 -1.80 0.02 0.00 1.00 0.00 0.00 33.01 32.21 3e1f s GLN 719 CO 0.03 0.37 0.18 -1.58 -2.12 0.00 0.00 175.29 172.17 3e1f s TRP 720 N -1.95 -0.21 -0.59 0.91 0.51 -0.09 -5.00 118.94 112.52 3e1f s TRP 720 Ca 0.23 0.52 -0.26 0.00 -2.12 0.00 0.00 56.10 54.48 3e1f s TRP 720 Cb -0.07 0.04 0.04 0.00 -0.81 0.00 0.00 33.47 32.67 3e1f s TRP 720 CO 0.11 -0.13 1.09 1.03 -0.51 0.00 0.00 176.95 178.55 3e1f s ARG 721 N 0.42 3.38 0.00 4.98 0.52 -1.26 -1.08 118.95 125.91 3e1f s ARG 721 Ca -0.03 -0.08 0.00 0.00 -0.52 0.00 0.00 55.73 55.10 3e1f s ARG 721 Cb -0.04 -4.06 0.00 0.00 0.52 0.00 0.00 34.95 31.36 3e1f s ARG 721 CO -0.02 -1.68 0.00 1.28 0.02 0.00 0.00 175.30 174.90 3e1f n LEU 722 N 8.14 0.00 -4.92 2.53 4.77 0.21 -4.97 117.00 122.77 3e1f n LEU 722 Ca 0.04 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.75 3e1f n LEU 722 Cb 0.48 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.63 3e1f n LEU 722 CO 0.68 0.00 0.63 0.00 -1.33 0.00 0.00 177.39 177.37 3e1f s ALA 723 N -3.24 3.11 0.02 -1.18 0.00 -1.26 -4.83 121.76 114.36 3e1f s ALA 723 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.20 3e1f s ALA 723 Cb 0.00 -2.69 -0.02 0.00 0.00 0.00 0.00 23.12 20.41 3e1f s ALA 723 CO 0.00 -1.19 -0.03 -2.00 0.00 0.00 0.00 175.76 172.54 3e1f s GLU 724 N -5.23 0.25 -0.31 0.00 2.12 -1.26 -1.64 118.70 112.64 3e1f s GLU 724 Ca 0.58 -0.46 0.00 0.00 0.36 0.00 0.00 54.97 55.45 3e1f s GLU 724 Cb -0.11 0.04 0.10 0.00 0.26 0.00 0.00 34.13 34.42 3e1f s GLU 724 CO 0.46 -0.03 0.08 -0.80 -0.54 0.00 0.00 175.26 174.43 3e1f s ASN 725 N -1.09 4.10 0.15 -1.70 0.01 -0.10 -4.97 114.94 111.34 3e1f s ASN 725 Ca -0.11 -1.66 -0.31 0.00 -0.71 0.00 0.00 52.86 50.06 3e1f s ASN 725 Cb -0.07 -1.01 -0.09 0.00 0.41 0.00 0.00 41.25 40.49 3e1f s ASN 725 CO -0.01 -0.39 1.51 -0.76 -1.51 0.00 0.00 177.10 175.94 3e1f s LEU 726 N 1.49 4.37 0.10 0.60 1.43 -1.26 -2.20 118.68 123.21 3e1f s LEU 726 Ca 0.09 2.52 -0.31 0.00 -1.03 0.00 0.00 54.13 55.40 3e1f s LEU 726 Cb -0.18 -3.59 -0.07 0.00 0.03 0.00 0.00 46.19 42.39 3e1f s LEU 726 CO -0.20 -0.77 1.25 -0.55 0.23 0.00 0.00 176.35 176.31 3e1f s SER 727 N 1.12 7.01 -0.08 2.29 0.15 -1.26 -4.89 113.70 118.04 3e1f s SER 727 Ca 0.68 2.14 0.06 0.00 0.70 0.00 0.00 55.95 59.53 3e1f s SER 727 Cb -0.41 -2.59 -0.09 0.00 -1.71 0.00 0.00 66.02 61.22 3e1f s SER 727 CO 0.31 -0.50 0.01 1.33 1.20 0.00 0.00 173.24 175.59 3e1f n VAL 728 N 3.66 0.54 -2.13 4.45 0.24 -1.26 -4.88 118.33 118.95 3e1f n VAL 728 Ca 0.09 -0.32 -0.30 0.00 -2.04 0.00 0.00 64.34 61.77 3e1f n VAL 728 Cb 0.45 -0.80 -0.05 0.00 -1.47 0.00 0.00 33.84 31.98 3e1f n VAL 728 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3e1f s THR 729 N -2.19 3.52 0.48 3.34 -4.23 -1.26 -4.96 115.64 110.34 3e1f s THR 729 Ca -0.05 -0.36 -0.22 0.00 -1.18 0.00 0.00 61.69 59.88 3e1f s THR 729 Cb 0.02 -4.18 -0.07 0.00 1.34 0.00 0.00 72.50 69.62 3e1f s THR 729 CO 0.31 -1.11 1.15 -0.76 -0.54 0.00 0.00 174.62 173.67 3e1f s LEU 730 N 9.13 3.94 0.39 4.79 1.43 -1.26 -4.96 118.68 132.14 3e1f s LEU 730 Ca 0.65 2.26 -0.18 0.00 -1.03 0.00 0.00 54.13 55.83 3e1f s LEU 730 Cb -0.06 -4.34 -0.14 0.00 0.03 0.00 0.00 46.19 41.67 3e1f s LEU 730 CO 0.00 -0.99 0.02 -0.81 0.23 0.00 0.00 176.35 174.80 3e1f n PRO 731 N -0.72 0.00 -2.67 1.29 -0.04 -1.26 -4.90 135.00 126.70 3e1f n PRO 731 Ca 0.09 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.13 3e1f n PRO 731 Cb 0.49 -0.90 -0.03 0.00 -0.04 0.00 0.00 33.50 33.01 3e1f n PRO 731 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3e1f s ALA 732 N -1.61 2.95 -0.36 0.55 0.00 -1.26 -4.97 121.76 117.06 3e1f s ALA 732 Ca 0.53 -1.33 -0.42 0.00 0.00 0.00 0.00 51.96 50.74 3e1f s ALA 732 Cb -0.54 -4.04 -0.17 0.00 0.00 0.00 0.00 23.12 18.37 3e1f s ALA 732 CO 0.58 -2.90 1.79 0.00 0.00 0.00 0.00 175.76 175.23 3e1f n ALA 733 N 8.51 -0.32 -1.72 0.00 0.00 -1.26 -4.94 120.51 120.79 3e1f n ALA 733 Ca 0.03 0.36 -0.31 0.00 0.00 0.00 0.00 53.44 53.51 3e1f n ALA 733 Cb 0.48 -2.17 0.02 0.00 0.00 0.00 0.00 19.45 17.78 3e1f n ALA 733 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3e1f s SER 734 N 4.00 5.88 0.36 0.00 1.04 -1.26 -4.98 113.70 118.74 3e1f s SER 734 Ca 1.03 1.57 0.23 0.00 0.48 0.00 0.00 55.95 59.27 3e1f s SER 734 Cb -1.20 -2.49 0.33 0.00 0.10 0.00 0.00 66.02 62.76 3e1f s SER 734 CO 0.68 -1.10 1.52 0.45 0.98 0.00 0.00 173.24 175.77 3e1f h HIS 735 N -0.21 0.00 -4.19 5.02 3.86 -1.92 -3.47 115.15 114.25 3e1f h HIS 735 Ca -0.45 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.24 3e1f h HIS 735 Cb 1.20 0.00 0.14 0.00 1.06 0.00 0.00 27.41 29.81 3e1f h HIS 735 CO 0.63 0.00 0.38 0.00 0.86 0.00 0.00 177.93 179.80 3e1f s ALA 736 N -3.22 2.20 -0.03 2.45 0.00 -1.26 -5.05 121.76 116.84 3e1f s ALA 736 Ca 0.06 0.77 -0.01 0.00 0.00 0.00 0.00 51.96 52.78 3e1f s ALA 736 Cb 0.07 -3.42 0.03 0.00 0.00 0.00 0.00 23.12 19.80 3e1f s ALA 736 CO 0.69 -1.72 0.06 0.42 0.00 0.00 0.00 175.76 175.21 3e1f s ILE 737 N -2.11 -0.07 0.42 0.00 1.01 -1.26 -4.19 121.20 114.99 3e1f s ILE 737 Ca 0.72 0.24 -0.26 0.00 0.00 0.00 0.00 60.65 61.35 3e1f s ILE 737 Cb -0.26 -0.13 -0.09 0.00 0.01 0.00 0.00 42.46 41.99 3e1f s ILE 737 CO 0.44 0.10 1.42 -2.84 0.00 0.00 0.00 174.94 174.06 3e1f s PRO 738 N 1.27 3.88 -0.18 2.79 0.02 -1.26 -4.93 135.00 136.59 3e1f s PRO 738 Ca -0.07 2.40 -0.05 0.00 0.02 0.00 0.00 61.00 63.30 3e1f s PRO 738 Cb -0.13 -2.78 -0.03 0.00 0.02 0.00 0.00 34.50 31.59 3e1f s PRO 738 CO -0.04 -0.66 0.01 -1.58 -0.33 0.00 0.00 177.00 174.40 3e1f s HIS 739 N -1.19 3.09 -0.27 6.54 2.46 0.22 -4.77 115.29 121.36 3e1f s HIS 739 Ca 0.57 -0.27 -0.13 0.00 0.47 0.00 0.00 55.06 55.71 3e1f s HIS 739 Cb -0.43 -2.05 -0.04 0.00 -0.13 0.00 0.00 32.58 29.93 3e1f s HIS 739 CO 0.57 -0.08 0.26 -1.17 -2.47 0.00 0.00 174.74 171.85 3e1f s LEU 740 N 0.65 4.03 -0.08 8.88 2.96 -1.26 -1.30 118.68 132.57 3e1f s LEU 740 Ca 0.00 0.11 -0.02 0.00 -0.22 0.00 0.00 54.13 54.00 3e1f s LEU 740 Cb -0.14 -2.24 -0.03 0.00 0.50 0.00 0.00 46.19 44.28 3e1f s LEU 740 CO 0.02 -0.10 0.03 -0.89 -1.32 0.00 0.00 176.35 174.09 3e1f s THR 741 N 1.85 4.49 -0.12 3.68 2.01 0.69 -4.96 115.64 123.28 3e1f s THR 741 Ca 0.10 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 61.89 3e1f s THR 741 Cb -0.16 -2.91 0.02 0.00 0.01 0.00 0.00 72.50 69.46 3e1f s THR 741 CO 0.10 0.58 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.61 3e1f s THR 742 N -0.93 1.25 0.14 -0.82 2.01 -1.26 -0.95 115.64 115.07 3e1f s THR 742 Ca 0.14 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 61.72 3e1f s THR 742 Cb -0.11 -1.20 0.02 0.00 0.01 0.00 0.00 72.50 71.21 3e1f s THR 742 CO 0.04 0.40 0.15 -1.20 -0.69 0.00 0.00 174.62 173.32 3e1f n SER 743 N 4.70 0.87 0.02 3.53 7.64 -0.08 -5.00 113.62 125.29 3e1f n SER 743 Ca -0.16 -1.40 0.11 0.00 1.01 0.00 0.00 58.87 58.43 3e1f n SER 743 Cb 0.50 -0.06 -0.05 0.00 -1.01 0.00 0.00 64.21 63.59 3e1f n SER 743 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 3e1f n GLU 744 N -1.10 0.34 -0.00 1.43 2.13 -1.26 -4.15 120.64 118.03 3e1f n GLU 744 Ca 0.02 -0.04 0.03 0.00 0.66 0.00 0.00 57.16 57.83 3e1f n GLU 744 Cb 0.15 -1.57 -0.04 0.00 0.27 0.00 0.00 31.44 30.24 3e1f n GLU 744 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 3e1f n MET 745 N -1.99 4.65 -3.83 5.31 1.56 -1.26 -4.86 117.12 116.69 3e1f n MET 745 Ca 0.01 -0.00 -0.09 0.00 -0.27 0.00 0.00 57.70 57.35 3e1f n MET 745 Cb 0.45 -0.83 -0.07 0.00 2.15 0.00 0.00 33.22 34.92 3e1f n MET 745 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 3e1f s ASP 746 N -1.67 0.06 -0.18 6.12 1.11 -1.26 -0.50 116.67 120.35 3e1f s ASP 746 Ca 0.03 -0.62 0.00 0.00 0.18 0.00 0.00 52.55 52.14 3e1f s ASP 746 Cb 0.05 0.37 0.04 0.00 1.07 0.00 0.00 42.92 44.45 3e1f s ASP 746 CO 0.29 -0.77 -0.08 -0.36 1.18 0.00 0.00 175.17 175.43 3e1f s PHE 747 N -3.86 2.02 -0.18 4.23 0.08 -0.68 -0.90 117.98 118.69 3e1f s PHE 747 Ca 0.06 -1.29 -0.00 0.00 0.12 0.00 0.00 56.93 55.82 3e1f s PHE 747 Cb 0.04 -1.46 0.01 0.00 -0.57 0.00 0.00 43.02 41.03 3e1f s PHE 747 CO -0.10 -0.67 -0.15 0.00 -0.10 0.00 0.00 175.22 174.20 3e1f s ILE 749 N 1.16 4.39 0.00 0.00 1.09 0.47 -0.22 121.20 128.09 3e1f s ILE 749 Ca 0.01 -0.17 0.08 0.00 -1.10 0.00 0.00 60.65 59.47 3e1f s ILE 749 Cb -0.14 -2.98 -0.02 0.00 -1.06 0.00 0.00 42.46 38.25 3e1f s ILE 749 CO -0.06 0.44 -0.24 -1.61 -0.10 0.00 0.00 174.94 173.36 3e1f s GLU 750 N 0.69 1.85 -0.24 2.79 2.02 -0.42 0.81 118.70 126.20 3e1f s GLU 750 Ca 0.02 -0.92 -0.03 0.00 0.02 0.00 0.00 54.97 54.06 3e1f s GLU 750 Cb -0.14 -1.86 0.13 0.00 0.10 0.00 0.00 34.13 32.37 3e1f s GLU 750 CO 0.02 0.50 0.37 -1.17 0.02 0.00 0.00 175.26 174.99 3e1f s LEU 751 N -0.78 -0.59 0.00 1.80 2.96 -0.66 -0.61 118.68 120.80 3e1f s LEU 751 Ca 0.10 0.20 0.00 0.00 -0.22 0.00 0.00 54.13 54.21 3e1f s LEU 751 Cb -0.09 1.06 0.00 0.00 0.50 0.00 0.00 46.19 47.66 3e1f s LEU 751 CO 0.00 -0.30 0.00 0.61 -1.32 0.00 0.00 176.35 175.34 3e1f n GLY 752 N 5.36 2.82 0.13 7.98 0.00 -1.26 -1.69 105.19 118.53 3e1f n GLY 752 Ca -0.04 0.31 -0.20 0.00 0.00 0.00 0.00 46.02 46.09 3e1f n GLY 752 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3e1f h ASN 753 N 0.00 0.58 -4.00 1.61 -0.73 -1.97 -3.47 115.58 107.59 3e1f h ASN 753 Ca 0.00 -0.71 -0.50 0.00 1.87 0.00 0.00 56.30 56.95 3e1f h ASN 753 Cb 0.00 -0.19 0.06 0.00 0.27 0.00 0.00 38.32 38.46 3e1f h ASN 753 CO 0.00 1.58 0.48 -0.54 -0.37 0.00 0.00 177.43 178.58 3e1f s LYS 754 N -2.61 3.79 -0.04 6.67 1.02 -0.68 -3.59 119.74 124.30 3e1f s LYS 754 Ca -0.09 1.75 -0.01 0.00 0.02 0.00 0.00 55.97 57.64 3e1f s LYS 754 Cb 0.06 -2.41 0.03 0.00 -0.52 0.00 0.00 37.83 34.98 3e1f s LYS 754 CO 0.89 -0.52 0.04 0.50 -0.92 0.00 0.00 175.35 175.33 3e1f s ARG 755 N -2.69 0.04 -0.09 1.68 6.06 -0.58 -1.65 118.95 121.73 3e1f s ARG 755 Ca 0.63 0.27 0.01 0.00 -2.50 0.00 0.00 55.73 54.14 3e1f s ARG 755 Cb -0.28 -0.48 -0.02 0.00 0.06 0.00 0.00 34.95 34.23 3e1f s ARG 755 CO 0.34 -0.26 -0.11 -1.58 -2.50 0.00 0.00 175.30 171.19 3e1f s TRP 756 N 1.73 2.83 -0.14 5.12 0.51 0.24 -0.49 118.94 128.74 3e1f s TRP 756 Ca -0.00 -0.27 -0.01 0.00 -2.12 0.00 0.00 56.10 53.70 3e1f s TRP 756 Cb -0.12 -1.75 0.04 0.00 -0.81 0.00 0.00 33.47 30.82 3e1f s TRP 756 CO -0.03 0.08 -0.04 -1.14 -0.51 0.00 0.00 176.95 175.31 3e1f s GLN 757 N -0.31 1.21 -0.31 4.98 0.74 0.33 -0.39 119.66 125.90 3e1f s GLN 757 Ca 0.03 -0.31 -0.08 0.00 0.05 0.00 0.00 55.36 55.05 3e1f s GLN 757 Cb -0.13 -1.70 0.00 0.00 1.10 0.00 0.00 33.01 32.29 3e1f s GLN 757 CO 0.03 -0.38 0.12 -0.06 -0.55 0.00 0.00 175.29 174.44 3e1f s PHE 758 N 1.75 3.17 -0.36 1.67 0.40 -0.03 -1.25 117.98 123.32 3e1f s PHE 758 Ca 0.03 -0.82 -0.29 0.00 -0.60 0.00 0.00 56.93 55.25 3e1f s PHE 758 Cb -0.14 -2.31 -0.00 0.00 0.51 0.00 0.00 43.02 41.07 3e1f s PHE 758 CO -0.07 -0.54 1.59 1.21 0.70 0.00 0.00 175.22 178.11 3e1f s ASN 759 N 1.55 6.15 0.00 1.36 3.84 -1.03 -1.68 114.94 125.13 3e1f s ASN 759 Ca 0.03 1.10 0.08 0.00 0.21 0.00 0.00 52.86 54.28 3e1f s ASN 759 Cb -0.17 -2.53 0.43 0.00 -0.55 0.00 0.00 41.25 38.42 3e1f s ASN 759 CO 0.04 -1.54 1.14 0.54 -2.79 0.00 0.00 177.10 174.50 3e1f n ARG 760 N 8.20 0.12 0.05 0.43 1.74 0.34 -1.02 116.66 126.52 3e1f n ARG 760 Ca 0.19 0.21 0.06 0.00 -0.77 0.00 0.00 57.85 57.54 3e1f n ARG 760 Cb 0.47 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.35 3e1f n ARG 760 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3e1f n GLN 761 N -1.29 0.62 -0.07 5.56 0.00 -1.26 -4.55 117.38 116.40 3e1f n GLN 761 Ca 0.04 0.12 -0.07 0.00 -0.00 0.00 0.00 57.00 57.09 3e1f n GLN 761 Cb 0.07 -1.77 -0.02 0.00 0.00 0.00 0.00 30.24 28.52 3e1f n GLN 761 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 3e1f n SER 762 N -2.72 1.73 0.00 1.69 7.64 -0.65 -4.93 113.62 116.38 3e1f n SER 762 Ca -0.06 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.11 3e1f n SER 762 Cb 0.70 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 3e1f n SER 762 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3e1f n GLY 763 N 1.75 1.36 3.42 0.23 0.00 -0.19 -4.67 105.19 107.10 3e1f n GLY 763 Ca -0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 3e1f n GLY 763 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3e1f s PHE 764 N -2.00 2.20 -0.29 1.61 0.08 -1.26 -4.86 117.98 113.46 3e1f s PHE 764 Ca 0.00 -0.37 -0.29 0.00 0.12 0.00 0.00 56.93 56.39 3e1f s PHE 764 Cb 0.00 -1.04 -0.02 0.00 -0.57 0.00 0.00 43.02 41.39 3e1f s PHE 764 CO 0.00 0.54 1.61 -1.17 -0.10 0.00 0.00 175.22 176.10 3e1f s LEU 765 N -2.98 3.72 0.12 -0.37 2.96 -1.26 -2.46 118.68 118.43 3e1f s LEU 765 Ca 0.23 1.36 0.23 0.00 -0.22 0.00 0.00 54.13 55.73 3e1f s LEU 765 Cb -0.06 -3.53 0.05 0.00 0.50 0.00 0.00 46.19 43.14 3e1f s LEU 765 CO 0.11 -1.41 1.04 -1.54 -1.32 0.00 0.00 176.35 173.23 3e1f n SER 766 N 8.98 0.67 -3.61 3.68 3.41 -0.38 -1.50 113.62 124.86 3e1f n SER 766 Ca 0.19 0.10 -0.06 0.00 -0.26 0.00 0.00 58.87 58.84 3e1f n SER 766 Cb 0.46 0.64 -0.05 0.00 -0.26 0.00 0.00 64.21 65.01 3e1f n SER 766 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3e1f s GLN 767 N -3.29 0.34 0.08 4.33 2.00 -1.09 -4.60 119.66 117.42 3e1f s GLN 767 Ca 0.01 0.08 0.02 0.00 -2.00 0.00 0.00 55.36 53.48 3e1f s GLN 767 Cb 0.12 0.16 -0.04 0.00 0.80 0.00 0.00 33.01 34.05 3e1f s GLN 767 CO 0.79 -0.10 -0.07 -1.64 -0.50 0.00 0.00 175.29 173.76 3e1f s MET 768 N -1.06 0.75 -0.01 1.67 -1.94 -1.26 -0.52 119.30 116.93 3e1f s MET 768 Ca 0.03 -1.15 -0.00 0.00 -1.71 0.00 0.00 55.69 52.86 3e1f s MET 768 Cb -0.01 -0.27 0.01 0.00 2.01 0.00 0.00 34.83 36.57 3e1f s MET 768 CO -0.03 0.01 0.02 -1.58 -0.01 0.00 0.00 175.02 173.43 3e1f s TRP 769 N -2.82 -0.00 -0.66 -0.03 0.51 0.35 -1.46 118.94 114.83 3e1f s TRP 769 Ca 0.05 0.06 0.05 0.00 -2.12 0.00 0.00 56.10 54.14 3e1f s TRP 769 Cb -0.00 -0.07 0.16 0.00 -0.81 0.00 0.00 33.47 32.75 3e1f s TRP 769 CO -0.03 -0.03 0.45 0.42 -0.51 0.00 0.00 176.95 177.26 3e1f s ILE 770 N 0.33 2.69 0.00 2.03 1.01 -0.96 -1.52 121.20 124.79 3e1f s ILE 770 Ca -0.03 -4.05 0.00 0.00 0.00 0.00 0.00 60.65 56.57 3e1f s ILE 770 Cb -0.04 -2.78 0.00 0.00 0.01 0.00 0.00 42.46 39.65 3e1f s ILE 770 CO -0.01 -0.99 0.00 0.61 0.00 0.00 0.00 174.94 174.55 3e1f n GLY 771 N 2.18 0.88 1.82 6.18 0.00 -1.24 -3.61 105.19 111.40 3e1f n GLY 771 Ca 0.18 -1.40 -0.04 0.00 0.00 0.00 0.00 46.02 44.76 3e1f n GLY 771 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3e1f n ASP 772 N 1.24 4.53 -4.46 1.61 3.85 -1.26 -4.88 116.55 117.18 3e1f n ASP 772 Ca 0.00 -3.01 -0.37 0.00 -0.71 0.00 0.00 54.79 50.70 3e1f n ASP 772 Cb 0.00 -0.71 -0.12 0.00 -1.35 0.00 0.00 41.12 38.94 3e1f n ASP 772 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 3e1f s LYS 773 N -2.62 3.65 0.61 0.11 -0.14 -1.24 -5.09 119.74 115.02 3e1f s LYS 773 Ca 0.47 -0.49 -0.17 0.00 -1.36 0.00 0.00 55.97 54.42 3e1f s LYS 773 Cb 0.37 -3.37 -0.03 0.00 -1.68 0.00 0.00 37.83 33.13 3e1f s LYS 773 CO 0.12 -0.21 1.14 0.15 -0.76 0.00 0.00 175.35 175.79 3e1f s LYS 774 N 1.63 2.99 -0.02 1.68 1.02 -1.26 -2.26 119.74 123.51 3e1f s LYS 774 Ca 0.06 1.57 0.05 0.00 0.02 0.00 0.00 55.97 57.68 3e1f s LYS 774 Cb -0.15 -1.96 -0.08 0.00 -0.52 0.00 0.00 37.83 35.12 3e1f s LYS 774 CO 0.04 -1.13 0.09 1.04 -0.92 0.00 0.00 175.35 174.47 3e1f n GLN 775 N -1.87 1.25 -4.70 1.68 1.13 -0.54 -4.82 117.38 109.51 3e1f n GLN 775 Ca 0.12 -0.03 -0.27 0.00 -1.94 0.00 0.00 57.00 54.88 3e1f n GLN 775 Cb 0.51 -1.14 -0.14 0.00 0.11 0.00 0.00 30.24 29.58 3e1f n GLN 775 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3e1f s LEU 776 N -3.76 2.17 -0.00 1.08 1.43 -1.26 -1.56 118.68 116.77 3e1f s LEU 776 Ca -0.02 -0.54 0.13 0.00 -1.03 0.00 0.00 54.13 52.67 3e1f s LEU 776 Cb 0.03 -1.04 -0.15 0.00 0.03 0.00 0.00 46.19 45.05 3e1f s LEU 776 CO 0.23 0.18 0.49 0.18 0.23 0.00 0.00 176.35 177.66 3e1f n LEU 777 N 1.83 0.47 -3.73 1.79 4.77 0.13 -4.80 117.00 117.46 3e1f n LEU 777 Ca -0.17 -0.40 -0.12 0.00 -0.03 0.00 0.00 56.01 55.29 3e1f n LEU 777 Cb 0.53 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.51 3e1f n LEU 777 CO 0.23 0.12 -0.01 -0.89 -1.33 0.00 0.00 177.39 175.51 3e1f s THR 778 N -2.35 -0.02 0.70 -5.08 2.01 -1.18 -4.91 115.64 104.82 3e1f s THR 778 Ca 0.03 0.07 -0.17 0.00 0.31 0.00 0.00 61.69 61.93 3e1f s THR 778 Cb 0.09 -0.49 -0.06 0.00 0.01 0.00 0.00 72.50 72.06 3e1f s THR 778 CO 0.53 0.03 0.44 -2.65 -0.69 0.00 0.00 174.62 172.28 3e1f n PRO 779 N 3.65 0.30 -2.66 4.92 -0.02 -1.26 -3.49 135.00 136.43 3e1f n PRO 779 Ca -0.19 0.14 -0.42 0.00 -2.02 0.00 0.00 63.50 61.01 3e1f n PRO 779 Cb 0.56 -1.74 -0.03 0.00 -0.02 0.00 0.00 33.50 32.27 3e1f n PRO 779 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3e1f s LEU 780 N 0.49 3.62 0.38 2.45 2.96 -0.57 -4.41 118.68 123.60 3e1f s LEU 780 Ca 0.64 -0.61 0.08 0.00 -0.22 0.00 0.00 54.13 54.02 3e1f s LEU 780 Cb -0.36 -2.54 -0.07 0.00 0.50 0.00 0.00 46.19 43.71 3e1f s LEU 780 CO 0.59 -1.68 -0.03 -0.13 -1.32 0.00 0.00 176.35 173.79 3e1f s ARG 781 N 5.09 1.90 0.64 1.98 0.52 -0.21 -4.05 118.95 124.82 3e1f s ARG 781 Ca 0.31 -2.04 -0.13 0.00 -0.52 0.00 0.00 55.73 53.35 3e1f s ARG 781 Cb -0.11 -1.65 -0.02 0.00 0.52 0.00 0.00 34.95 33.69 3e1f s ARG 781 CO 0.14 0.02 1.05 -0.51 0.02 0.00 0.00 175.30 176.01 3e1f s ASP 782 N -3.67 5.77 -0.08 0.23 1.11 -1.26 -0.44 116.67 118.33 3e1f s ASP 782 Ca 0.34 1.62 -0.05 0.00 0.18 0.00 0.00 52.55 54.64 3e1f s ASP 782 Cb 0.07 -2.50 0.04 0.00 1.07 0.00 0.00 42.92 41.60 3e1f s ASP 782 CO 0.17 -1.18 0.20 -1.58 1.18 0.00 0.00 175.17 173.97 3e1f s GLN 783 N -4.74 0.17 0.00 8.23 0.74 -0.49 -4.77 119.66 118.80 3e1f s GLN 783 Ca 0.59 0.40 0.00 0.00 0.05 0.00 0.00 55.36 56.40 3e1f s GLN 783 Cb -0.13 -0.07 0.00 0.00 1.10 0.00 0.00 33.01 33.90 3e1f s GLN 783 CO 0.48 -0.12 0.74 1.19 -0.55 0.00 0.00 175.29 177.03 3e1f n PHE 784 N 3.86 0.00 -4.60 1.67 3.72 -1.26 -2.46 117.46 118.39 3e1f n PHE 784 Ca -0.22 -0.27 -0.27 0.00 -0.05 0.00 0.00 57.45 56.63 3e1f n PHE 784 Cb 0.54 -0.03 -0.09 0.00 -0.94 0.00 0.00 39.48 38.96 3e1f n PHE 784 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3e1f s THR 785 N -0.55 1.16 0.02 4.37 -4.23 -1.26 -2.79 115.64 112.36 3e1f s THR 785 Ca 0.00 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.30 3e1f s THR 785 Cb 0.00 -2.51 0.04 0.00 1.34 0.00 0.00 72.50 71.37 3e1f s THR 785 CO 0.00 0.00 0.47 0.00 -0.54 0.00 0.00 174.62 174.55 3e1f s ARG 786 N -3.80 0.93 -0.46 3.99 1.70 -1.26 -4.71 118.95 115.35 3e1f s ARG 786 Ca 0.23 -0.18 -0.28 0.00 -0.47 0.00 0.00 55.73 55.03 3e1f s ARG 786 Cb 0.05 0.42 -0.09 0.00 -0.57 0.00 0.00 34.95 34.77 3e1f s ARG 786 CO 0.12 -0.31 2.37 0.00 -1.08 0.00 0.00 175.30 176.40 3e1f n ALA 787 N 0.69 1.02 -1.47 7.88 0.00 -1.26 -4.80 120.51 122.58 3e1f n ALA 787 Ca -0.19 -0.59 -0.57 0.00 0.00 0.00 0.00 53.44 52.08 3e1f n ALA 787 Cb 0.59 -2.96 -0.08 0.00 0.00 0.00 0.00 19.45 16.99 3e1f n ALA 787 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3e1f n PRO 788 N 8.79 0.00 -1.96 0.00 -0.04 -1.26 -0.78 135.00 139.76 3e1f n PRO 788 Ca 0.39 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.55 3e1f n PRO 788 Cb 0.43 -1.38 0.04 0.00 -0.04 0.00 0.00 33.50 32.55 3e1f n PRO 788 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3e1f s LEU 789 N 1.08 2.96 0.24 1.53 1.43 -1.26 -4.55 118.68 120.10 3e1f s LEU 789 Ca 0.89 1.08 -0.06 0.00 -1.03 0.00 0.00 54.13 55.01 3e1f s LEU 789 Cb -1.25 -3.89 0.32 0.00 0.03 0.00 0.00 46.19 41.40 3e1f s LEU 789 CO 0.61 -1.29 1.85 0.44 0.23 0.00 0.00 176.35 178.20 3e1f h ASP 790 N -0.58 0.84 0.44 2.29 3.32 -1.88 0.91 116.42 121.76 3e1f h ASP 790 Ca -0.45 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.61 3e1f h ASP 790 Cb 1.25 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.64 3e1f h ASP 790 CO 0.63 0.54 -0.04 0.78 -1.72 0.00 0.00 179.24 179.44 3e1f h ASN 791 N 0.98 0.00 1.55 6.45 2.35 -1.86 0.43 115.58 125.47 3e1f h ASN 791 Ca 0.37 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.05 3e1f h ASN 791 Cb 0.14 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 3e1f h ASN 791 CO -0.16 0.04 -0.47 0.44 -1.65 0.00 0.00 177.43 175.63 3e1f h ASP 792 N 0.00 0.00 0.18 5.81 3.32 -1.16 -3.35 116.42 121.23 3e1f h ASP 792 Ca -0.00 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.70 3e1f h ASP 792 Cb 0.27 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 3e1f h ASP 792 CO 0.00 0.28 -2.05 -0.38 -1.72 0.00 0.00 179.24 175.38 3e1f n ILE 793 N -3.09 1.65 -0.75 0.35 5.41 -0.50 -0.40 119.36 122.02 3e1f n ILE 793 Ca 0.01 -0.70 0.00 0.00 1.00 0.00 0.00 62.75 63.06 3e1f n ILE 793 Cb 0.66 -1.36 0.00 0.00 -0.71 0.00 0.00 39.64 38.22 3e1f n ILE 793 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3e1f n GLY 794 N 1.90 3.31 1.30 7.39 0.00 0.02 -2.09 105.19 117.02 3e1f n GLY 794 Ca -0.31 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 45.61 3e1f n GLY 794 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3e1f n VAL 795 N 0.00 2.45 -2.49 1.61 0.24 -1.26 -4.85 118.33 114.02 3e1f n VAL 795 Ca 0.00 -1.67 -0.42 0.00 -2.04 0.00 0.00 64.34 60.21 3e1f n VAL 795 Cb 0.00 -0.24 -0.03 0.00 -1.47 0.00 0.00 33.84 32.10 3e1f n VAL 795 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3e1f s SER 796 N -1.45 7.08 0.44 -1.34 0.15 -0.89 -4.81 113.70 112.88 3e1f s SER 796 Ca 0.47 1.78 0.06 0.00 0.70 0.00 0.00 55.95 58.96 3e1f s SER 796 Cb 0.37 -2.56 -0.05 0.00 -1.71 0.00 0.00 66.02 62.07 3e1f s SER 796 CO 0.12 -0.56 0.11 -1.61 1.20 0.00 0.00 173.24 172.50 3e1f s GLU 797 N 2.15 2.13 0.16 5.44 2.02 0.25 -4.89 118.70 125.95 3e1f s GLU 797 Ca 0.55 -2.04 -0.23 0.00 0.02 0.00 0.00 54.97 53.27 3e1f s GLU 797 Cb -0.24 -1.80 0.05 0.00 0.10 0.00 0.00 34.13 32.24 3e1f s GLU 797 CO 0.22 -0.17 1.61 0.00 0.02 0.00 0.00 175.26 176.93 3e1f h ALA 798 N 1.48 -0.17 0.19 5.21 0.00 -2.02 -3.11 119.26 120.84 3e1f h ALA 798 Ca -0.43 0.09 -0.35 0.00 0.00 0.00 0.00 54.91 54.22 3e1f h ALA 798 Cb 1.26 0.63 0.01 0.00 0.00 0.00 0.00 17.79 19.69 3e1f h ALA 798 CO 0.74 -0.71 -1.76 1.79 0.00 0.00 0.00 179.25 179.30 3e1f h THR 799 N -0.26 0.92 -3.34 0.00 1.35 -2.02 -3.43 112.91 106.14 3e1f h THR 799 Ca 0.16 -2.50 -0.73 0.00 -0.55 0.00 0.00 66.41 62.79 3e1f h THR 799 Cb 0.52 2.75 -0.26 0.00 -1.73 0.00 0.00 68.15 69.43 3e1f h THR 799 CO -0.48 0.86 -0.38 -0.60 -0.25 0.00 0.00 175.52 174.67 3e1f s ARG 800 N -2.58 2.77 -0.10 4.72 6.06 -1.18 -5.07 118.95 123.58 3e1f s ARG 800 Ca -0.16 -1.49 -0.16 0.00 -2.50 0.00 0.00 55.73 51.42 3e1f s ARG 800 Cb 0.05 -3.98 -0.05 0.00 0.06 0.00 0.00 34.95 31.03 3e1f s ARG 800 CO 0.85 -1.05 0.41 0.42 -2.50 0.00 0.00 175.30 173.42 3e1f s ILE 801 N 1.52 5.19 -0.55 4.11 1.09 -1.23 0.84 121.20 132.16 3e1f s ILE 801 Ca 0.04 0.81 -0.16 0.00 -1.10 0.00 0.00 60.65 60.24 3e1f s ILE 801 Cb -0.25 -3.74 0.13 0.00 -1.06 0.00 0.00 42.46 37.55 3e1f s ILE 801 CO 0.03 0.40 0.51 -0.62 -0.10 0.00 0.00 174.94 175.17 3e1f s ASP 802 N 0.20 6.21 0.30 3.58 -1.08 -1.26 -4.93 116.67 119.70 3e1f s ASP 802 Ca 0.23 -1.82 0.20 0.00 -0.52 0.00 0.00 52.55 50.64 3e1f s ASP 802 Cb -0.15 -2.21 1.07 0.00 -1.46 0.00 0.00 42.92 40.17 3e1f s ASP 802 CO 0.09 -0.85 1.59 -0.81 0.52 0.00 0.00 175.17 175.71 3e1f n PRO 803 N 5.22 0.13 0.01 4.34 -0.04 -1.26 -2.31 135.00 141.09 3e1f n PRO 803 Ca -0.13 0.62 -0.10 0.00 -0.04 0.00 0.00 63.50 63.85 3e1f n PRO 803 Cb 0.40 -1.94 -0.14 0.00 -0.04 0.00 0.00 33.50 31.79 3e1f n PRO 803 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 3e1f h ASN 804 N 0.00 0.08 -2.81 3.54 -1.24 -1.96 -3.36 115.58 109.83 3e1f h ASN 804 Ca 0.00 -0.14 -0.59 0.00 0.71 0.00 0.00 56.30 56.28 3e1f h ASN 804 Cb 0.04 -0.02 0.12 0.00 0.73 0.00 0.00 38.32 39.19 3e1f h ASN 804 CO 0.00 1.12 0.17 0.00 -1.29 0.00 0.00 177.43 177.43 3e1f n ALA 805 N -2.56 0.10 -0.23 1.57 0.00 -0.98 -4.71 120.51 113.70 3e1f n ALA 805 Ca -0.15 0.31 0.03 0.00 0.00 0.00 0.00 53.44 53.64 3e1f n ALA 805 Cb 1.03 -2.07 0.15 0.00 0.00 0.00 0.00 19.45 18.57 3e1f n ALA 805 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 3e1f h TRP 806 N 1.84 0.38 -0.77 0.00 4.06 -1.83 -1.07 115.95 118.55 3e1f h TRP 806 Ca -0.42 0.04 0.05 0.00 2.06 0.00 0.00 58.89 60.61 3e1f h TRP 806 Cb 1.33 -0.06 -0.05 0.00 -1.00 0.00 0.00 29.16 29.38 3e1f h TRP 806 CO 0.46 0.02 0.47 -0.24 -3.56 0.00 0.00 178.44 175.59 3e1f h VAL 807 N 0.36 1.05 -0.31 1.49 3.04 -1.07 -0.40 116.25 120.42 3e1f h VAL 807 Ca 0.37 -0.30 -0.11 0.00 -1.01 0.00 0.00 66.70 65.65 3e1f h VAL 807 Cb 0.56 0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 29.92 3e1f h VAL 807 CO -0.41 0.16 -0.22 -0.33 -1.01 0.00 0.00 177.57 175.76 3e1f h GLU 808 N 0.89 0.70 -0.84 4.17 4.39 -1.57 0.12 114.58 122.44 3e1f h GLU 808 Ca 0.33 -0.34 0.07 0.00 0.34 0.00 0.00 59.36 59.77 3e1f h GLU 808 Cb 0.12 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 28.70 3e1f h GLU 808 CO -0.15 0.94 0.51 0.00 -1.16 0.00 0.00 179.01 179.15 3e1f h ARG 809 N 0.45 0.88 0.12 2.33 3.08 -0.74 0.14 114.38 120.64 3e1f h ARG 809 Ca 0.06 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 3e1f h ARG 809 Cb 0.78 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.63 3e1f h ARG 809 CO 0.06 0.58 -0.06 -1.49 -1.07 0.00 0.00 179.97 177.99 3e1f h TRP 810 N 0.90 -0.15 0.07 3.04 6.55 -0.90 -1.42 115.95 124.05 3e1f h TRP 810 Ca 0.38 -0.00 0.02 0.00 0.95 0.00 0.00 58.89 60.24 3e1f h TRP 810 Cb 0.24 0.05 -0.05 0.00 -0.86 0.00 0.00 29.16 28.53 3e1f h TRP 810 CO -0.04 0.21 -0.50 0.87 -1.05 0.00 0.00 178.44 177.93 3e1f h LYS 811 N -0.53 -0.67 -0.58 0.49 1.57 -0.52 -0.63 116.57 115.71 3e1f h LYS 811 Ca -0.02 0.05 0.12 0.00 -1.87 0.00 0.00 60.65 58.93 3e1f h LYS 811 Cb 0.42 0.15 -0.09 0.00 0.08 0.00 0.00 32.23 32.79 3e1f h LYS 811 CO 0.03 -0.45 0.02 0.00 -0.57 0.00 0.00 179.45 178.49 3e1f h ALA 812 N -0.37 0.59 0.00 3.86 0.00 -0.77 0.65 119.26 123.21 3e1f h ALA 812 Ca 0.01 0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3e1f h ALA 812 Cb 0.73 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 3e1f h ALA 812 CO -0.31 -0.38 -0.02 0.00 0.00 0.00 0.00 179.25 178.55 3e1f h ALA 813 N 1.51 1.43 0.00 0.00 0.00 -0.50 -3.46 119.26 118.24 3e1f h ALA 813 Ca 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3e1f h ALA 813 Cb 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3e1f h ALA 813 CO -0.47 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.21 3e1f n GLY 814 N -1.20 0.78 0.37 0.00 0.00 0.22 -4.90 105.19 100.45 3e1f n GLY 814 Ca -0.03 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.09 3e1f n GLY 814 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3e1f h HIS 815 N 0.00 0.81 0.00 1.61 3.86 -1.67 -1.70 115.15 118.05 3e1f h HIS 815 Ca 0.00 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 3e1f h HIS 815 Cb 0.00 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.21 3e1f h HIS 815 CO 0.00 0.35 0.00 0.66 0.86 0.00 0.00 177.93 179.80 3e1f n TYR 816 N -4.52 0.33 -3.16 2.45 4.01 -1.26 -3.86 117.16 111.14 3e1f n TYR 816 Ca 0.15 0.12 -0.18 0.00 -0.16 0.00 0.00 57.90 57.83 3e1f n TYR 816 Cb 0.37 -0.69 -0.03 0.00 -0.31 0.00 0.00 39.34 38.68 3e1f n TYR 816 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3e1f n GLN 817 N -1.79 0.95 -3.74 -0.72 10.64 -0.65 -5.09 117.38 116.97 3e1f n GLN 817 Ca 0.04 -3.27 -0.35 0.00 -1.83 0.00 0.00 57.00 51.59 3e1f n GLN 817 Cb 0.26 -1.62 -0.08 0.00 -0.86 0.00 0.00 30.24 27.93 3e1f n GLN 817 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3e1f s ALA 818 N -2.14 3.67 -0.22 2.61 0.00 -1.15 -4.89 121.76 119.63 3e1f s ALA 818 Ca 0.38 -0.70 -0.24 0.00 0.00 0.00 0.00 51.96 51.41 3e1f s ALA 818 Cb 0.33 -2.16 -0.01 0.00 0.00 0.00 0.00 23.12 21.28 3e1f s ALA 818 CO -0.08 0.15 0.78 -2.00 0.00 0.00 0.00 175.76 174.62 3e1f s GLU 819 N 0.38 4.20 -0.68 0.00 2.56 -1.09 -4.84 118.70 119.22 3e1f s GLU 819 Ca 0.08 0.88 -0.27 0.00 0.00 0.00 0.00 54.97 55.65 3e1f s GLU 819 Cb -0.11 -3.62 0.03 0.00 2.00 0.00 0.00 34.13 32.42 3e1f s GLU 819 CO -0.02 -0.43 1.29 0.00 -0.56 0.00 0.00 175.26 175.54 3e1f s ALA 820 N 2.54 2.80 -0.04 6.30 0.00 -1.26 -2.66 121.76 129.44 3e1f s ALA 820 Ca 0.34 -1.16 -0.21 0.00 0.00 0.00 0.00 51.96 50.93 3e1f s ALA 820 Cb -0.16 -4.19 -0.05 0.00 0.00 0.00 0.00 23.12 18.72 3e1f s ALA 820 CO 0.09 -3.12 0.60 0.00 0.00 0.00 0.00 175.76 173.32 3e1f s ALA 821 N 5.67 3.45 -0.18 0.00 0.00 -0.93 -4.87 121.76 124.90 3e1f s ALA 821 Ca 0.39 0.01 -0.26 0.00 0.00 0.00 0.00 51.96 52.10 3e1f s ALA 821 Cb -0.08 -2.77 -0.01 0.00 0.00 0.00 0.00 23.12 20.26 3e1f s ALA 821 CO 0.19 0.08 0.89 -1.17 0.00 0.00 0.00 175.76 175.74 3e1f s LEU 822 N 0.17 4.16 -0.18 0.00 2.96 -1.26 -0.14 118.68 124.39 3e1f s LEU 822 Ca 0.32 1.24 0.05 0.00 -0.22 0.00 0.00 54.13 55.51 3e1f s LEU 822 Cb -0.18 -3.32 -0.22 0.00 0.50 0.00 0.00 46.19 42.98 3e1f s LEU 822 CO 0.16 -0.46 0.11 0.18 -1.32 0.00 0.00 176.35 175.02 3e1f n LEU 823 N 5.44 1.97 -3.53 -0.68 4.77 0.11 -4.96 117.00 120.12 3e1f n LEU 823 Ca 0.06 0.05 -0.17 0.00 -0.03 0.00 0.00 56.01 55.93 3e1f n LEU 823 Cb 0.48 -0.51 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 3e1f n LEU 823 CO 0.49 0.75 0.39 -1.58 -1.33 0.00 0.00 177.39 176.11 3e1f s GLN 824 N -2.53 1.05 -0.40 3.23 0.74 -0.95 -4.98 119.66 115.83 3e1f s GLN 824 Ca -0.22 0.12 0.05 0.00 0.05 0.00 0.00 55.36 55.35 3e1f s GLN 824 Cb 0.08 0.49 0.18 0.00 1.10 0.00 0.00 33.01 34.86 3e1f s GLN 824 CO 0.72 -0.35 0.71 0.00 -0.55 0.00 0.00 175.29 175.82 3e1f s THR 826 N 1.84 2.69 -0.02 0.00 -4.23 -0.15 -4.94 115.64 110.83 3e1f s THR 826 Ca 0.16 -2.06 0.02 0.00 -1.18 0.00 0.00 61.69 58.62 3e1f s THR 826 Cb -0.03 -2.70 0.01 0.00 1.34 0.00 0.00 72.50 71.12 3e1f s THR 826 CO -0.08 -0.26 -0.06 0.00 -0.54 0.00 0.00 174.62 173.68 3e1f s ALA 827 N -2.50 0.58 0.12 3.99 0.00 -1.26 -0.30 121.76 122.40 3e1f s ALA 827 Ca 0.33 -0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.15 3e1f s ALA 827 Cb -0.02 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 3e1f s ALA 827 CO 0.18 0.08 -0.10 -0.51 0.00 0.00 0.00 175.76 175.41 3e1f s ASP 828 N 0.26 1.61 -0.12 0.00 -0.00 -0.44 -4.96 116.67 113.03 3e1f s ASP 828 Ca -0.03 -0.91 -0.03 0.00 -0.00 0.00 0.00 52.55 51.58 3e1f s ASP 828 Cb -0.07 0.00 -0.03 0.00 -0.00 0.00 0.00 42.92 42.82 3e1f s ASP 828 CO -0.00 -0.30 -0.01 -0.89 -0.00 0.00 0.00 175.17 173.97 3e1f s THR 829 N -2.90 4.19 0.48 -1.27 2.01 -1.26 -0.46 115.64 116.44 3e1f s THR 829 Ca 0.11 -0.27 0.04 0.00 0.31 0.00 0.00 61.69 61.88 3e1f s THR 829 Cb 0.00 -2.80 -0.02 0.00 0.01 0.00 0.00 72.50 69.69 3e1f s THR 829 CO 0.00 0.55 0.14 -0.76 -0.69 0.00 0.00 174.62 173.86 3e1f s LEU 830 N -0.32 2.64 0.00 4.42 1.43 -0.07 -4.98 118.68 121.80 3e1f s LEU 830 Ca 0.06 -1.40 0.00 0.00 -1.03 0.00 0.00 54.13 51.76 3e1f s LEU 830 Cb -0.12 -1.01 0.00 0.00 0.03 0.00 0.00 46.19 45.08 3e1f s LEU 830 CO 0.02 -0.80 0.95 0.00 0.23 0.00 0.00 176.35 176.75 3e1f n ALA 831 N -1.34 0.92 -1.71 4.21 0.00 -1.26 -3.59 120.51 117.73 3e1f n ALA 831 Ca -0.09 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.32 3e1f n ALA 831 Cb 0.66 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 19.17 3e1f n ALA 831 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3e1f n ASP 832 N -1.45 -0.41 -3.63 0.00 5.75 -1.26 -5.10 116.55 110.45 3e1f n ASP 832 Ca 0.00 -0.95 -0.03 0.00 -0.01 0.00 0.00 54.79 53.80 3e1f n ASP 832 Cb 0.04 0.12 -0.04 0.00 -1.03 0.00 0.00 41.12 40.22 3e1f n ASP 832 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3e1f s ALA 833 N 0.00 -2.10 0.26 2.12 0.00 -1.24 -2.91 121.76 117.89 3e1f s ALA 833 Ca 0.00 1.84 -0.09 0.00 0.00 0.00 0.00 51.96 53.71 3e1f s ALA 833 Cb 0.00 -1.24 -0.07 0.00 0.00 0.00 0.00 23.12 21.81 3e1f s ALA 833 CO 0.00 -0.30 0.58 0.08 0.00 0.00 0.00 175.76 176.12 3e1f s VAL 834 N -1.21 4.93 -0.25 0.00 1.01 -0.59 -0.89 120.40 123.40 3e1f s VAL 834 Ca 0.08 0.43 -0.02 0.00 0.00 0.00 0.00 61.98 62.47 3e1f s VAL 834 Cb -0.01 -3.65 0.08 0.00 0.00 0.00 0.00 36.38 32.80 3e1f s VAL 834 CO -0.06 -0.16 0.07 -0.22 0.00 0.00 0.00 175.10 174.72 3e1f s LEU 835 N -3.05 1.59 -0.21 3.92 2.96 0.39 -2.65 118.68 121.63 3e1f s LEU 835 Ca 0.47 -1.22 -0.14 0.00 -0.22 0.00 0.00 54.13 53.03 3e1f s LEU 835 Cb -0.11 -0.70 -0.04 0.00 0.50 0.00 0.00 46.19 45.84 3e1f s LEU 835 CO 0.23 -0.36 0.30 -0.63 -1.32 0.00 0.00 176.35 174.57 3e1f s ILE 836 N 1.77 5.27 -0.21 6.68 -1.09 -0.37 -1.32 121.20 131.92 3e1f s ILE 836 Ca 0.04 0.49 -0.03 0.00 -2.23 0.00 0.00 60.65 58.92 3e1f s ILE 836 Cb -0.17 -3.63 -0.01 0.00 -1.58 0.00 0.00 42.46 37.07 3e1f s ILE 836 CO -0.18 0.30 -0.07 -0.89 -1.23 0.00 0.00 174.94 172.87 3e1f s THR 837 N 1.13 3.22 0.46 2.92 2.01 0.59 0.11 115.64 126.08 3e1f s THR 837 Ca 0.14 -0.55 0.05 0.00 0.31 0.00 0.00 61.69 61.64 3e1f s THR 837 Cb -0.14 -2.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 3e1f s THR 837 CO 0.06 0.44 0.05 0.42 -0.69 0.00 0.00 174.62 174.91 3e1f s THR 838 N 1.35 1.67 -0.30 -0.82 -4.23 -0.64 -0.98 115.64 111.69 3e1f s THR 838 Ca 0.04 -1.93 -0.14 0.00 -1.18 0.00 0.00 61.69 58.48 3e1f s THR 838 Cb -0.14 -2.60 0.18 0.00 1.34 0.00 0.00 72.50 71.28 3e1f s THR 838 CO -0.04 0.00 1.06 0.00 -0.54 0.00 0.00 174.62 175.11 3e1f s ALA 839 N -2.77 -3.22 0.28 3.99 0.00 -0.78 -2.28 121.76 116.98 3e1f s ALA 839 Ca 0.23 1.65 0.11 0.00 0.00 0.00 0.00 51.96 53.96 3e1f s ALA 839 Cb 0.05 -2.35 -0.05 0.00 0.00 0.00 0.00 23.12 20.77 3e1f s ALA 839 CO 0.12 -1.26 -0.16 -1.01 0.00 0.00 0.00 175.76 173.46 3e1f s HIS 840 N 2.69 2.38 -0.30 0.00 3.76 -0.50 0.07 115.29 123.38 3e1f s HIS 840 Ca -0.01 -0.31 -0.01 0.00 -0.15 0.00 0.00 55.06 54.58 3e1f s HIS 840 Cb -0.08 -1.04 0.10 0.00 1.11 0.00 0.00 32.58 32.67 3e1f s HIS 840 CO -0.14 0.70 0.10 0.00 -0.85 0.00 0.00 174.74 174.55 3e1f s ALA 841 N -2.47 1.45 -0.03 -1.40 0.00 0.80 -1.40 121.76 118.71 3e1f s ALA 841 Ca 0.30 -1.60 -0.30 0.00 0.00 0.00 0.00 51.96 50.37 3e1f s ALA 841 Cb -0.05 -1.59 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 3e1f s ALA 841 CO 0.16 -1.65 1.13 -1.58 0.00 0.00 0.00 175.76 173.83 3e1f s TRP 842 N 1.66 3.37 0.36 0.00 0.51 0.09 -2.19 118.94 122.73 3e1f s TRP 842 Ca 0.09 1.37 0.05 0.00 -2.12 0.00 0.00 56.10 55.49 3e1f s TRP 842 Cb -0.17 -3.34 -0.03 0.00 -0.81 0.00 0.00 33.47 29.12 3e1f s TRP 842 CO -0.26 -0.92 0.19 -0.65 -0.51 0.00 0.00 176.95 174.80 3e1f s GLN 843 N 1.77 1.79 -0.30 4.98 -0.21 -1.09 -0.88 119.66 125.72 3e1f s GLN 843 Ca 0.54 -2.06 -0.08 0.00 0.02 0.00 0.00 55.36 53.79 3e1f s GLN 843 Cb -0.24 -0.17 0.16 0.00 1.00 0.00 0.00 33.01 33.76 3e1f s GLN 843 CO 0.23 -0.53 0.73 -1.58 -2.12 0.00 0.00 175.29 172.02 3e1f s HIS 844 N -3.39 -1.25 -1.33 0.91 2.46 -0.44 -2.68 115.29 109.57 3e1f s HIS 844 Ca 0.32 1.78 -0.01 0.00 0.47 0.00 0.00 55.06 57.63 3e1f s HIS 844 Cb 0.03 0.61 0.01 0.00 -0.13 0.00 0.00 32.58 33.09 3e1f s HIS 844 CO 0.19 -0.65 0.70 1.04 -2.47 0.00 0.00 174.74 173.55 3e1f n GLN 845 N 5.37 -4.87 0.00 2.88 6.02 -1.26 -2.06 117.38 123.46 3e1f n GLN 845 Ca -0.07 0.61 0.00 0.00 -0.01 0.00 0.00 57.00 57.52 3e1f n GLN 845 Cb 0.51 -5.16 0.00 0.00 1.02 0.00 0.00 30.24 26.60 3e1f n GLN 845 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3e1f n GLY 846 N -1.60 1.72 3.68 1.08 0.00 -1.26 -4.98 105.19 103.83 3e1f n GLY 846 Ca -0.28 -0.22 -0.44 0.00 0.00 0.00 0.00 46.02 45.08 3e1f n GLY 846 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3e1f n LYS 847 N 0.00 2.62 -2.84 1.61 3.00 -0.87 -4.93 118.16 116.75 3e1f n LYS 847 Ca 0.00 0.96 -0.43 0.00 -0.00 0.00 0.00 58.31 58.84 3e1f n LYS 847 Cb 0.00 -2.84 -0.04 0.00 0.00 0.00 0.00 35.03 32.14 3e1f n LYS 847 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 3e1f s THR 848 N 3.27 4.51 -0.17 3.15 2.01 -1.26 -1.33 115.64 125.81 3e1f s THR 848 Ca 0.86 0.75 -0.25 0.00 0.31 0.00 0.00 61.69 63.35 3e1f s THR 848 Cb -0.53 -4.41 -0.23 0.00 0.01 0.00 0.00 72.50 67.34 3e1f s THR 848 CO 0.42 -0.79 0.51 -0.07 -0.69 0.00 0.00 174.62 174.00 3e1f h LEU 849 N 10.46 0.01 -8.23 4.42 3.38 -1.36 -3.42 115.31 120.56 3e1f h LEU 849 Ca -0.24 -0.77 -0.22 0.00 0.09 0.00 0.00 57.88 56.74 3e1f h LEU 849 Cb 1.08 -0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.64 3e1f h LEU 849 CO 1.01 1.23 -0.71 -0.36 0.09 0.00 0.00 178.44 179.71 3e1f s PHE 850 N -2.29 0.65 -0.05 1.13 0.08 -1.06 -1.92 117.98 114.52 3e1f s PHE 850 Ca -0.24 -0.72 0.01 0.00 0.12 0.00 0.00 56.93 56.11 3e1f s PHE 850 Cb 0.01 -0.40 0.02 0.00 -0.57 0.00 0.00 43.02 42.08 3e1f s PHE 850 CO 0.65 -0.17 -0.06 0.42 -0.10 0.00 0.00 175.22 175.96 3e1f s ILE 851 N -2.48 0.68 -0.27 0.64 1.01 -0.81 -0.74 121.20 119.24 3e1f s ILE 851 Ca -0.02 -0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.45 3e1f s ILE 851 Cb -0.03 -0.69 0.07 0.00 0.01 0.00 0.00 42.46 41.83 3e1f s ILE 851 CO -0.03 0.26 -0.02 -0.55 0.00 0.00 0.00 174.94 174.60 3e1f s SER 852 N 0.96 4.16 -0.18 3.58 0.15 -0.49 -0.69 113.70 121.19 3e1f s SER 852 Ca -0.10 -1.47 -0.10 0.00 0.70 0.00 0.00 55.95 54.98 3e1f s SER 852 Cb -0.14 -1.30 -0.05 0.00 -1.71 0.00 0.00 66.02 62.82 3e1f s SER 852 CO 0.00 -0.28 0.16 -0.13 1.20 0.00 0.00 173.24 174.20 3e1f s ARG 853 N 1.27 4.11 0.15 5.44 0.52 -0.83 -1.42 118.95 128.18 3e1f s ARG 853 Ca -0.01 -0.15 0.01 0.00 -0.52 0.00 0.00 55.73 55.06 3e1f s ARG 853 Cb -0.19 -3.39 -0.04 0.00 0.52 0.00 0.00 34.95 31.85 3e1f s ARG 853 CO -0.09 0.35 0.01 0.15 0.02 0.00 0.00 175.30 175.74 3e1f s LYS 854 N 0.19 1.00 -0.14 3.54 1.02 -0.97 -0.92 119.74 123.46 3e1f s LYS 854 Ca 0.10 -1.47 -0.04 0.00 0.02 0.00 0.00 55.97 54.58 3e1f s LYS 854 Cb -0.12 -0.11 0.07 0.00 -0.52 0.00 0.00 37.83 37.16 3e1f s LYS 854 CO -0.00 -0.15 0.26 0.95 -0.92 0.00 0.00 175.35 175.49 3e1f s THR 855 N -3.76 -0.40 -0.20 2.17 -4.23 -0.92 -1.63 115.64 106.66 3e1f s THR 855 Ca 0.21 0.21 -0.11 0.00 -1.18 0.00 0.00 61.69 60.82 3e1f s THR 855 Cb 0.06 -0.49 -0.05 0.00 1.34 0.00 0.00 72.50 73.37 3e1f s THR 855 CO 0.02 0.06 0.17 -0.31 -0.54 0.00 0.00 174.62 174.01 3e1f s TYR 856 N 2.41 3.40 -0.35 3.99 1.51 0.12 -2.08 117.35 126.35 3e1f s TYR 856 Ca 0.03 0.37 0.03 0.00 -1.01 0.00 0.00 57.07 56.48 3e1f s TYR 856 Cb -0.13 -2.22 0.10 0.00 -0.11 0.00 0.00 41.96 39.61 3e1f s TYR 856 CO -0.09 0.24 0.08 0.50 -1.11 0.00 0.00 175.55 175.17 3e1f s ARG 857 N 0.51 1.29 -0.30 -0.62 3.52 -0.71 -1.24 118.95 121.40 3e1f s ARG 857 Ca 0.10 -1.71 -0.16 0.00 -0.13 0.00 0.00 55.73 53.83 3e1f s ARG 857 Cb -0.12 -2.84 -0.03 0.00 -1.56 0.00 0.00 34.95 30.41 3e1f s ARG 857 CO 0.00 -0.97 0.41 0.42 -0.81 0.00 0.00 175.30 174.34 3e1f s ILE 858 N 1.00 5.14 0.37 4.11 1.01 -1.08 -1.82 121.20 129.93 3e1f s ILE 858 Ca 0.11 0.46 0.03 0.00 0.00 0.00 0.00 60.65 61.25 3e1f s ILE 858 Cb -0.19 -3.78 0.03 0.00 0.01 0.00 0.00 42.46 38.53 3e1f s ILE 858 CO -0.12 0.04 0.25 -0.90 0.00 0.00 0.00 174.94 174.22 3e1f n ASP 859 N 5.43 2.27 -0.29 3.58 5.68 -1.17 -1.54 116.55 130.51 3e1f n ASP 859 Ca -0.08 -2.32 0.15 0.00 -0.50 0.00 0.00 54.79 52.05 3e1f n ASP 859 Cb 0.50 -0.00 0.41 0.00 -1.14 0.00 0.00 41.12 40.89 3e1f n ASP 859 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3e1f h GLY 860 N 0.49 1.29 1.35 6.12 0.00 -1.69 0.13 103.07 110.76 3e1f h GLY 860 Ca -0.24 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 46.81 3e1f h GLY 860 CO 0.38 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.79 3e1f n SER 861 N -4.61 0.00 -0.57 0.19 3.41 -1.26 -4.70 113.62 106.07 3e1f n SER 861 Ca 0.20 -0.21 -0.05 0.00 -0.26 0.00 0.00 58.87 58.55 3e1f n SER 861 Cb 0.60 -0.18 -0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3e1f n SER 861 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3e1f n GLY 862 N 0.25 0.18 3.49 5.00 0.00 0.46 -5.04 105.19 109.53 3e1f n GLY 862 Ca 0.11 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.12 3e1f n GLY 862 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3e1f s GLN 863 N -4.27 3.33 -0.26 1.61 -0.21 -1.26 -4.68 119.66 113.92 3e1f s GLN 863 Ca 0.00 -0.57 -0.13 0.00 0.02 0.00 0.00 55.36 54.69 3e1f s GLN 863 Cb -0.00 -2.75 -0.04 0.00 1.00 0.00 0.00 33.01 31.21 3e1f s GLN 863 CO 0.00 0.36 0.29 1.41 -2.12 0.00 0.00 175.29 175.23 3e1f s MET 864 N 0.01 4.01 -0.48 2.91 -2.45 0.21 -3.02 119.30 120.50 3e1f s MET 864 Ca -0.01 -0.11 -0.11 0.00 -1.25 0.00 0.00 55.69 54.21 3e1f s MET 864 Cb -0.14 -3.63 0.11 0.00 1.25 0.00 0.00 34.83 32.42 3e1f s MET 864 CO 0.03 -0.18 0.37 0.00 1.05 0.00 0.00 175.02 176.29 3e1f s ALA 865 N 1.77 3.45 -0.23 4.11 0.00 -0.75 0.04 121.76 130.14 3e1f s ALA 865 Ca 0.12 -2.41 -0.19 0.00 0.00 0.00 0.00 51.96 49.48 3e1f s ALA 865 Cb -0.15 -2.91 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 3e1f s ALA 865 CO 0.09 -1.86 0.54 0.42 0.00 0.00 0.00 175.76 174.96 3e1f s ILE 866 N 1.46 5.07 -0.27 0.00 1.01 0.14 -1.74 121.20 126.87 3e1f s ILE 866 Ca 0.04 0.97 -0.01 0.00 0.00 0.00 0.00 60.65 61.66 3e1f s ILE 866 Cb -0.26 -3.86 0.04 0.00 0.01 0.00 0.00 42.46 38.39 3e1f s ILE 866 CO 0.01 0.12 -0.05 -0.89 0.00 0.00 0.00 174.94 174.14 3e1f s THR 867 N 2.00 2.79 -0.06 2.92 2.01 -0.88 -0.09 115.64 124.32 3e1f s THR 867 Ca 0.24 -1.26 -0.02 0.00 0.31 0.00 0.00 61.69 60.97 3e1f s THR 867 Cb -0.16 -2.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 3e1f s THR 867 CO 0.09 0.06 0.04 -0.69 -0.69 0.00 0.00 174.62 173.43 3e1f s VAL 868 N 1.26 4.55 -0.29 3.82 1.01 -0.31 -2.17 120.40 128.27 3e1f s VAL 868 Ca -0.03 -0.28 -0.04 0.00 0.00 0.00 0.00 61.98 61.63 3e1f s VAL 868 Cb -0.18 -2.98 0.10 0.00 0.00 0.00 0.00 36.38 33.32 3e1f s VAL 868 CO -0.03 0.51 0.13 -1.81 0.00 0.00 0.00 175.10 173.90 3e1f s ASP 869 N -1.21 3.49 0.11 3.32 1.01 -0.10 -2.23 116.67 121.05 3e1f s ASP 869 Ca 0.17 -1.26 -0.00 0.00 0.71 0.00 0.00 52.55 52.16 3e1f s ASP 869 Cb -0.12 -0.34 -0.04 0.00 1.01 0.00 0.00 42.92 43.43 3e1f s ASP 869 CO 0.06 -0.44 0.27 -0.69 0.21 0.00 0.00 175.17 174.59 3e1f s VAL 870 N 2.10 5.32 -0.03 -1.27 1.01 -0.45 -1.97 120.40 125.12 3e1f s VAL 870 Ca 0.09 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.73 3e1f s VAL 870 Cb -0.16 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.54 3e1f s VAL 870 CO -0.36 0.03 -0.21 -1.61 0.00 0.00 0.00 175.10 172.95 3e1f s GLU 871 N -2.80 1.87 -0.10 2.72 2.02 0.14 -1.16 118.70 121.39 3e1f s GLU 871 Ca 0.36 -0.76 0.02 0.00 0.02 0.00 0.00 54.97 54.61 3e1f s GLU 871 Cb -0.12 -1.73 0.01 0.00 0.10 0.00 0.00 34.13 32.39 3e1f s GLU 871 CO 0.28 0.41 -0.14 0.08 0.02 0.00 0.00 175.26 175.91 3e1f s VAL 872 N -0.36 1.37 -0.01 2.63 1.01 0.30 -1.93 120.40 123.42 3e1f s VAL 872 Ca 0.04 -0.57 -0.36 0.00 0.00 0.00 0.00 61.98 61.09 3e1f s VAL 872 Cb -0.10 -1.26 -0.15 0.00 0.00 0.00 0.00 36.38 34.88 3e1f s VAL 872 CO 0.00 0.41 1.59 0.00 0.00 0.00 0.00 175.10 177.11 3e1f n ALA 873 N 4.13 0.17 0.72 5.51 0.00 -0.81 -4.64 120.51 125.58 3e1f n ALA 873 Ca -0.20 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.67 3e1f n ALA 873 Cb 0.51 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.70 3e1f n ALA 873 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3e1f n SER 874 N 4.17 1.27 -1.02 0.00 3.41 -1.26 -2.52 113.62 117.66 3e1f n SER 874 Ca 0.21 -1.43 -0.01 0.00 -0.26 0.00 0.00 58.87 57.37 3e1f n SER 874 Cb 0.22 -0.36 -0.01 0.00 -0.26 0.00 0.00 64.21 63.80 3e1f n SER 874 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3e1f n ASP 875 N 0.33 0.06 -4.02 4.04 5.75 -1.26 -5.06 116.55 116.39 3e1f n ASP 875 Ca 0.00 -1.85 -0.24 0.00 -0.01 0.00 0.00 54.79 52.68 3e1f n ASP 875 Cb 0.25 -0.05 -0.17 0.00 -1.03 0.00 0.00 41.12 40.12 3e1f n ASP 875 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3e1f s THR 876 N 0.00 1.10 0.08 2.12 -1.32 -1.05 -5.10 115.64 111.48 3e1f s THR 876 Ca 0.13 -0.46 -0.29 0.00 -1.21 0.00 0.00 61.69 59.86 3e1f s THR 876 Cb 0.14 -1.01 -0.16 0.00 -1.51 0.00 0.00 72.50 69.97 3e1f s THR 876 CO -0.06 0.35 0.68 -0.81 -2.21 0.00 0.00 174.62 172.56 3e1f n PRO 877 N 3.82 0.00 -1.67 7.08 -0.04 -1.26 -4.73 135.00 138.20 3e1f n PRO 877 Ca -0.23 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 62.77 3e1f n PRO 877 Cb 0.52 -1.06 -0.04 0.00 -0.04 0.00 0.00 33.50 32.88 3e1f n PRO 877 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3e1f n HIS 878 N 0.65 2.29 -1.71 0.54 8.25 -1.26 -4.91 115.22 119.06 3e1f n HIS 878 Ca 0.16 0.28 -0.38 0.00 -0.26 0.00 0.00 57.72 57.52 3e1f n HIS 878 Cb 0.14 -2.54 0.05 0.00 1.12 0.00 0.00 29.99 28.76 3e1f n HIS 878 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3e1f n PRO 879 N 3.22 1.45 0.25 -0.41 -0.04 -1.26 -4.88 135.00 133.33 3e1f n PRO 879 Ca 0.16 0.54 0.12 0.00 -0.04 0.00 0.00 63.50 64.28 3e1f n PRO 879 Cb 0.29 -2.47 0.63 0.00 -0.04 0.00 0.00 33.50 31.91 3e1f n PRO 879 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3e1f h ALA 880 N 1.14 1.13 -2.28 0.55 0.00 -1.87 -3.40 119.26 114.54 3e1f h ALA 880 Ca -0.50 -0.14 0.18 0.00 0.00 0.00 0.00 54.91 54.45 3e1f h ALA 880 Cb 1.32 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 19.00 3e1f h ALA 880 CO 0.55 0.19 0.51 -0.98 0.00 0.00 0.00 179.25 179.52 3e1f s ARG 881 N -3.91 1.12 -0.32 0.00 1.70 -1.23 -0.70 118.95 115.61 3e1f s ARG 881 Ca -0.01 -0.61 -0.00 0.00 -0.47 0.00 0.00 55.73 54.64 3e1f s ARG 881 Cb 0.12 0.39 0.13 0.00 -0.57 0.00 0.00 34.95 35.02 3e1f s ARG 881 CO 0.60 -0.51 0.26 0.42 -1.08 0.00 0.00 175.30 174.99 3e1f s ILE 882 N -3.22 -0.22 0.00 4.99 1.01 0.07 -4.25 121.20 119.58 3e1f s ILE 882 Ca 0.12 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.90 3e1f s ILE 882 Cb -0.01 -0.94 0.00 0.00 0.01 0.00 0.00 42.46 41.52 3e1f s ILE 882 CO 0.01 -0.64 0.00 0.61 0.00 0.00 0.00 174.94 174.92 3e1f n GLY 883 N 4.84 3.42 3.31 6.18 0.00 -1.03 -0.82 105.19 121.10 3e1f n GLY 883 Ca 0.02 -0.63 -0.16 0.00 0.00 0.00 0.00 46.02 45.25 3e1f n GLY 883 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3e1f s LEU 884 N 0.00 2.27 0.09 0.99 1.43 0.68 -1.40 118.68 122.74 3e1f s LEU 884 Ca 0.00 -1.17 -0.26 0.00 -1.03 0.00 0.00 54.13 51.67 3e1f s LEU 884 Cb 0.00 -0.29 0.07 0.00 0.03 0.00 0.00 46.19 46.00 3e1f s LEU 884 CO 0.00 -0.47 0.66 0.54 0.23 0.00 0.00 176.35 177.31 3e1f s ASN 885 N -3.28 -0.57 -0.07 2.29 4.22 0.42 -0.90 114.94 117.05 3e1f s ASN 885 Ca 0.26 0.18 -0.30 0.00 -2.14 0.00 0.00 52.86 50.86 3e1f s ASN 885 Cb 0.05 0.56 0.11 0.00 1.28 0.00 0.00 41.25 43.25 3e1f s ASN 885 CO 0.07 -0.83 0.96 0.00 -2.04 0.00 0.00 177.10 175.25 3e1f s GLN 887 N -2.55 3.01 0.71 0.00 0.74 -1.23 -1.57 119.66 118.78 3e1f s GLN 887 Ca 0.04 -1.18 -0.13 0.00 0.05 0.00 0.00 55.36 54.14 3e1f s GLN 887 Cb -0.01 -4.09 0.03 0.00 1.10 0.00 0.00 33.01 30.04 3e1f s GLN 887 CO -0.06 -1.00 1.11 -0.51 -0.55 0.00 0.00 175.29 174.29 3e1f s LEU 888 N 1.84 3.23 0.01 3.68 1.43 -0.07 0.23 118.68 129.03 3e1f s LEU 888 Ca 0.07 1.96 -0.01 0.00 -1.03 0.00 0.00 54.13 55.12 3e1f s LEU 888 Cb -0.22 -4.54 -0.27 0.00 0.03 0.00 0.00 46.19 41.19 3e1f s LEU 888 CO 0.09 -1.88 0.89 0.00 0.23 0.00 0.00 176.35 175.68 3e1f h ALA 889 N -0.49 0.31 -2.36 4.21 0.00 -1.58 -2.04 119.26 117.30 3e1f h ALA 889 Ca -0.45 -1.11 -0.46 0.00 0.00 0.00 0.00 54.91 52.88 3e1f h ALA 889 Cb 1.24 0.24 0.15 0.00 0.00 0.00 0.00 17.79 19.43 3e1f h ALA 889 CO 0.52 1.18 0.22 -0.65 0.00 0.00 0.00 179.25 180.52 3e1f s GLN 890 N -2.63 0.76 -0.41 0.00 1.11 -1.26 -4.01 119.66 113.22 3e1f s GLN 890 Ca -0.08 0.59 0.04 0.00 0.01 0.00 0.00 55.36 55.92 3e1f s GLN 890 Cb 0.07 -1.77 0.17 0.00 -1.01 0.00 0.00 33.01 30.47 3e1f s GLN 890 CO 0.85 -2.52 0.44 0.08 0.01 0.00 0.00 175.29 174.14 3e1f s VAL 891 N -2.99 -0.27 0.56 1.09 1.01 -1.26 -2.48 120.40 116.06 3e1f s VAL 891 Ca 0.64 -1.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.07 3e1f s VAL 891 Cb -0.18 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 3e1f s VAL 891 CO 0.57 -0.66 0.90 0.00 0.00 0.00 0.00 175.10 175.91 3e1f s ALA 892 N 0.91 3.26 0.05 5.51 0.00 -1.26 -5.01 121.76 125.21 3e1f s ALA 892 Ca 0.24 -0.44 0.09 0.00 0.00 0.00 0.00 51.96 51.86 3e1f s ALA 892 Cb -0.07 -2.75 -0.18 0.00 0.00 0.00 0.00 23.12 20.12 3e1f s ALA 892 CO -0.08 -0.62 1.18 0.93 0.00 0.00 0.00 175.76 177.18 3e1f h GLU 893 N -0.09 0.00 -5.63 0.00 5.08 -2.00 -3.42 114.58 108.53 3e1f h GLU 893 Ca -0.46 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.38 3e1f h GLU 893 Cb 1.22 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.33 3e1f h GLU 893 CO 0.62 0.83 -0.68 1.03 -1.00 0.00 0.00 179.01 179.81 3e1f s ARG 894 N -2.73 1.63 -0.04 2.33 1.81 -1.26 -1.02 118.95 119.66 3e1f s ARG 894 Ca 0.00 -1.83 0.00 0.00 -1.72 0.00 0.00 55.73 52.19 3e1f s ARG 894 Cb 0.09 -1.31 0.03 0.00 -0.45 0.00 0.00 34.95 33.31 3e1f s ARG 894 CO 0.81 0.07 -0.01 0.08 -0.68 0.00 0.00 175.30 175.57 3e1f s VAL 895 N -2.90 0.28 -0.06 3.52 1.01 0.11 -4.60 120.40 117.76 3e1f s VAL 895 Ca 0.30 0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.40 3e1f s VAL 895 Cb 0.03 -0.39 -0.00 0.00 0.00 0.00 0.00 36.38 36.02 3e1f s VAL 895 CO 0.13 0.19 -0.20 0.21 0.00 0.00 0.00 175.10 175.43 3e1f s ASN 896 N 1.29 2.52 -0.00 3.32 3.84 -0.69 -1.10 114.94 124.12 3e1f s ASN 896 Ca -0.06 -0.42 -0.19 0.00 0.21 0.00 0.00 52.86 52.40 3e1f s ASN 896 Cb -0.13 -0.79 0.04 0.00 -0.55 0.00 0.00 41.25 39.81 3e1f s ASN 896 CO -0.02 0.17 0.41 -1.66 -2.79 0.00 0.00 177.10 173.21 3e1f s TRP 897 N 0.07 -0.30 -0.42 0.43 -2.14 -0.18 0.11 118.94 116.51 3e1f s TRP 897 Ca -0.07 0.42 -0.10 0.00 2.66 0.00 0.00 56.10 59.01 3e1f s TRP 897 Cb -0.13 0.19 0.07 0.00 -3.10 0.00 0.00 33.47 30.50 3e1f s TRP 897 CO 0.04 -0.49 0.28 -1.17 -2.66 0.00 0.00 176.95 172.94 3e1f s LEU 898 N -1.51 5.20 0.00 -4.66 2.96 0.14 -0.34 118.68 120.46 3e1f s LEU 898 Ca -0.11 -1.45 0.00 0.00 -0.22 0.00 0.00 54.13 52.35 3e1f s LEU 898 Cb -0.03 -2.02 0.00 0.00 0.50 0.00 0.00 46.19 44.64 3e1f s LEU 898 CO 0.03 -0.55 0.00 0.61 -1.32 0.00 0.00 176.35 175.13 3e1f n GLY 899 N 4.96 -0.60 3.69 7.98 0.00 -0.37 -0.53 105.19 120.32 3e1f n GLY 899 Ca -0.10 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 3e1f n GLY 899 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3e1f s LEU 900 N 0.00 4.26 0.00 0.99 1.43 -0.78 -2.02 118.68 122.56 3e1f s LEU 900 Ca 0.00 1.72 0.00 0.00 -1.03 0.00 0.00 54.13 54.82 3e1f s LEU 900 Cb 0.00 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.66 3e1f s LEU 900 CO 0.00 -0.55 0.00 0.61 0.23 0.00 0.00 176.35 176.64 3e1f n GLY 901 N 3.30 1.66 0.13 -3.19 0.00 -0.48 -4.37 105.19 102.23 3e1f n GLY 901 Ca 0.10 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.45 3e1f n GLY 901 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3e1f h PRO 902 N 0.00 0.00 -7.48 1.61 0.13 -1.93 -1.34 132.00 122.99 3e1f h PRO 902 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 3e1f h PRO 902 Cb 0.00 0.00 0.10 0.00 0.13 0.00 0.00 31.00 31.23 3e1f h PRO 902 CO 0.00 0.62 0.36 -0.65 -0.23 0.00 0.00 178.00 178.11 3e1f s GLN 903 N -3.10 2.13 0.22 0.86 -0.21 -1.26 -4.98 119.66 113.32 3e1f s GLN 903 Ca 0.02 0.45 -0.32 0.00 0.02 0.00 0.00 55.36 55.53 3e1f s GLN 903 Cb 0.10 -1.94 -0.13 0.00 1.00 0.00 0.00 33.01 32.03 3e1f s GLN 903 CO 0.75 -1.54 1.45 -1.91 -2.12 0.00 0.00 175.29 171.92 3e1f n GLU 904 N -3.35 2.07 -3.77 2.91 2.13 -1.26 -4.91 120.64 114.46 3e1f n GLU 904 Ca 0.07 0.74 -0.13 0.00 0.66 0.00 0.00 57.16 58.50 3e1f n GLU 904 Cb 0.58 -2.42 -0.11 0.00 0.27 0.00 0.00 31.44 29.75 3e1f n GLU 904 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3e1f s ASN 905 N 0.42 -0.31 0.26 4.31 2.20 -0.22 -4.87 114.94 116.73 3e1f s ASN 905 Ca 0.70 0.61 0.11 0.00 -0.94 0.00 0.00 52.86 53.34 3e1f s ASN 905 Cb -0.65 0.61 -0.05 0.00 -2.00 0.00 0.00 41.25 39.16 3e1f s ASN 905 CO 0.47 -0.11 -0.18 -0.31 -2.94 0.00 0.00 177.10 174.03 3e1f s TYR 906 N 0.18 2.12 0.19 1.54 1.51 -1.00 -3.77 117.35 118.12 3e1f s TYR 906 Ca -0.00 -0.40 -0.15 0.00 -1.01 0.00 0.00 57.07 55.50 3e1f s TYR 906 Cb -0.02 -0.93 0.18 0.00 -0.11 0.00 0.00 41.96 41.07 3e1f s TYR 906 CO 0.00 0.61 1.28 -2.30 -1.11 0.00 0.00 175.55 174.04 3e1f n PRO 907 N -0.55 -0.21 -0.26 -1.71 -0.02 -1.26 0.17 135.00 131.16 3e1f n PRO 907 Ca -0.06 1.27 0.04 0.00 -2.02 0.00 0.00 63.50 62.73 3e1f n PRO 907 Cb 0.60 -1.88 0.15 0.00 -0.02 0.00 0.00 33.50 32.35 3e1f n PRO 907 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3e1f n ASP 908 N -5.20 2.29 -2.79 2.55 5.75 -1.26 -4.24 116.55 113.64 3e1f n ASP 908 Ca 0.08 -2.18 -0.10 0.00 -0.01 0.00 0.00 54.79 52.58 3e1f n ASP 908 Cb 0.32 -0.38 0.04 0.00 -1.03 0.00 0.00 41.12 40.07 3e1f n ASP 908 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3e1f n ARG 909 N 0.35 0.79 0.00 0.11 0.63 0.13 0.34 116.66 119.00 3e1f n ARG 909 Ca 0.11 -1.89 0.00 0.00 -0.92 0.00 0.00 57.85 55.15 3e1f n ARG 909 Cb 0.44 -1.42 0.00 0.00 0.45 0.00 0.00 32.46 31.93 3e1f n ARG 909 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 3e1f n LEU 910 N 1.55 0.00 -0.27 6.15 -0.00 -1.06 -2.37 117.00 121.00 3e1f n LEU 910 Ca 0.10 -0.02 -0.01 0.00 -0.00 0.00 0.00 56.01 56.08 3e1f n LEU 910 Cb 0.62 0.00 0.11 0.00 -0.00 0.00 0.00 43.42 44.16 3e1f n LEU 910 CO 0.05 0.02 1.15 0.71 -0.00 0.00 0.00 177.39 179.33 3e1f h THR 911 N 2.42 1.03 0.00 1.47 1.35 -1.90 -2.02 112.91 115.26 3e1f h THR 911 Ca 0.00 -0.30 -0.05 0.00 -0.55 0.00 0.00 66.41 65.51 3e1f h THR 911 Cb 0.85 0.10 -0.01 0.00 -1.73 0.00 0.00 68.15 67.36 3e1f h THR 911 CO 0.00 0.16 -0.24 0.00 -0.25 0.00 0.00 175.52 175.19 3e1f h ALA 912 N 1.36 1.41 -2.65 6.62 0.00 -1.89 -3.44 119.26 120.67 3e1f h ALA 912 Ca 0.33 -0.22 -0.51 0.00 0.00 0.00 0.00 54.91 54.52 3e1f h ALA 912 Cb 0.14 -0.04 0.07 0.00 0.00 0.00 0.00 17.79 17.96 3e1f h ALA 912 CO -0.16 0.30 0.46 0.00 0.00 0.00 0.00 179.25 179.84 3e1f s ALA 913 N -4.27 2.80 0.14 0.00 0.00 -0.76 -5.01 121.76 114.65 3e1f s ALA 913 Ca -0.03 0.88 0.10 0.00 0.00 0.00 0.00 51.96 52.91 3e1f s ALA 913 Cb 0.14 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.85 3e1f s ALA 913 CO 0.67 -0.75 -0.19 0.00 0.00 0.00 0.00 175.76 175.49 3e1f s PHE 915 N -1.29 3.41 -0.01 0.00 5.36 -1.26 -1.38 117.98 122.80 3e1f s PHE 915 Ca 0.19 1.03 -0.08 0.00 -0.96 0.00 0.00 56.93 57.10 3e1f s PHE 915 Cb -0.10 -2.84 0.03 0.00 -0.34 0.00 0.00 43.02 39.77 3e1f s PHE 915 CO 0.10 -0.16 0.36 -3.47 -1.46 0.00 0.00 175.22 170.60 3e1f n ASP 916 N 4.94 -0.31 -4.61 6.13 -0.08 -0.86 -4.87 116.55 116.90 3e1f n ASP 916 Ca -0.00 -1.04 -0.40 0.00 -1.51 0.00 0.00 54.79 51.83 3e1f n ASP 916 Cb 0.50 0.48 -0.08 0.00 2.34 0.00 0.00 41.12 44.36 3e1f n ASP 916 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 3e1f s ARG 917 N -2.00 3.99 0.01 -0.67 6.06 -1.26 -1.23 118.95 123.85 3e1f s ARG 917 Ca 0.09 0.24 0.08 0.00 -2.50 0.00 0.00 55.73 53.63 3e1f s ARG 917 Cb -0.00 -3.68 -0.03 0.00 0.06 0.00 0.00 34.95 31.30 3e1f s ARG 917 CO -0.00 -0.40 -0.23 -1.58 -2.50 0.00 0.00 175.30 170.59 3e1f s TRP 918 N 2.33 2.43 -0.06 5.12 0.52 0.53 -4.97 118.94 124.84 3e1f s TRP 918 Ca 0.21 -0.35 -0.01 0.00 0.02 0.00 0.00 56.10 55.97 3e1f s TRP 918 Cb -0.16 -1.47 0.03 0.00 -1.15 0.00 0.00 33.47 30.72 3e1f s TRP 918 CO 0.10 0.12 0.01 0.34 0.02 0.00 0.00 176.95 177.53 3e1f s ASP 919 N -1.05 1.44 0.09 2.95 -1.08 -1.26 -1.01 116.67 116.76 3e1f s ASP 919 Ca 0.12 -0.07 -0.05 0.00 -0.52 0.00 0.00 52.55 52.03 3e1f s ASP 919 Cb -0.10 -0.40 -0.02 0.00 -1.46 0.00 0.00 42.92 40.94 3e1f s ASP 919 CO 0.02 -0.19 0.12 -0.76 0.52 0.00 0.00 175.17 174.88 3e1f s LEU 920 N 1.88 1.73 0.33 -1.34 1.43 -0.26 -4.96 118.68 117.50 3e1f s LEU 920 Ca 0.03 -0.87 -0.28 0.00 -1.03 0.00 0.00 54.13 51.98 3e1f s LEU 920 Cb -0.12 0.70 -0.09 0.00 0.03 0.00 0.00 46.19 46.70 3e1f s LEU 920 CO -0.05 -0.71 1.12 -2.16 0.23 0.00 0.00 176.35 174.79 3e1f s PRO 921 N -3.92 4.42 0.36 1.29 0.04 -1.26 0.07 135.00 136.00 3e1f s PRO 921 Ca 0.10 1.80 0.24 0.00 0.04 0.00 0.00 61.00 63.18 3e1f s PRO 921 Cb 0.06 -2.97 1.25 0.00 0.04 0.00 0.00 34.50 32.88 3e1f s PRO 921 CO -0.07 0.01 1.38 -0.11 0.04 0.00 0.00 177.00 178.25 3e1f n LEU 922 N 0.73 0.24 0.01 -3.56 7.94 -0.19 -0.01 117.00 122.15 3e1f n LEU 922 Ca 0.01 1.32 0.01 0.00 -1.11 0.00 0.00 56.01 56.25 3e1f n LEU 922 Cb 0.46 -0.65 0.35 0.00 0.53 0.00 0.00 43.42 44.11 3e1f n LEU 922 CO 0.52 -1.46 1.00 0.77 -1.11 0.00 0.00 177.39 177.12 3e1f h SER 923 N 0.00 0.46 0.01 1.96 4.64 -1.90 -2.40 113.55 116.32 3e1f h SER 923 Ca 0.76 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 62.02 3e1f h SER 923 Cb 2.26 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 64.23 3e1f h SER 923 CO -0.53 0.47 0.00 0.47 -0.87 0.00 0.00 176.83 176.38 3e1f n ASP 924 N -4.34 0.00 -1.34 4.97 8.00 0.98 -1.85 116.55 122.96 3e1f n ASP 924 Ca 0.02 -0.70 0.09 0.00 0.71 0.00 0.00 54.79 54.91 3e1f n ASP 924 Cb 0.19 -0.01 0.30 0.00 -0.02 0.00 0.00 41.12 41.58 3e1f n ASP 924 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3e1f n MET 925 N -1.01 3.08 -4.24 -1.24 2.81 -0.90 -4.80 117.12 110.82 3e1f n MET 925 Ca 0.17 -2.43 -0.24 0.00 -1.81 0.00 0.00 57.70 53.39 3e1f n MET 925 Cb 0.08 -1.71 -0.17 0.00 -0.71 0.00 0.00 33.22 30.72 3e1f n MET 925 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 3e1f s TYR 926 N -1.58 1.29 -0.36 2.03 5.04 -0.77 -4.38 117.35 118.61 3e1f s TYR 926 Ca 0.44 -0.52 -0.14 0.00 -2.44 0.00 0.00 57.07 54.42 3e1f s TYR 926 Cb 0.27 -1.03 -0.01 0.00 0.35 0.00 0.00 41.96 41.54 3e1f s TYR 926 CO 0.24 -0.34 0.26 0.99 -1.34 0.00 0.00 175.55 175.36 3e1f s THR 927 N 1.12 5.28 0.00 4.34 2.01 -1.26 -4.98 115.64 122.14 3e1f s THR 927 Ca -0.07 -0.34 -0.01 0.00 0.31 0.00 0.00 61.69 61.58 3e1f s THR 927 Cb -0.14 -3.78 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 3e1f s THR 927 CO -0.01 -0.10 1.14 -0.81 -0.69 0.00 0.00 174.62 174.15 3e1f n PRO 928 N 5.13 0.49 -1.70 4.92 -0.04 -1.26 -4.91 135.00 137.63 3e1f n PRO 928 Ca -0.12 -0.20 -0.44 0.00 -0.04 0.00 0.00 63.50 62.71 3e1f n PRO 928 Cb 0.49 -1.55 -0.03 0.00 -0.04 0.00 0.00 33.50 32.37 3e1f n PRO 928 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3e1f n TYR 929 N 2.51 2.52 -0.29 0.54 4.01 -1.26 -4.84 117.16 120.35 3e1f n TYR 929 Ca 0.08 0.18 0.10 0.00 -0.16 0.00 0.00 57.90 58.11 3e1f n TYR 929 Cb 0.23 -2.60 0.26 0.00 -0.31 0.00 0.00 39.34 36.92 3e1f n TYR 929 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3e1f h VAL 930 N 3.64 0.49 -3.55 -0.72 2.07 -1.96 -3.28 116.25 112.93 3e1f h VAL 930 Ca -0.44 -0.12 -0.69 0.00 0.82 0.00 0.00 66.70 66.26 3e1f h VAL 930 Cb 1.23 0.10 -0.19 0.00 -1.52 0.00 0.00 31.29 30.91 3e1f h VAL 930 CO 0.90 0.07 -0.25 0.12 0.02 0.00 0.00 177.57 178.43 3e1f s PHE 931 N -5.94 3.18 0.43 1.57 5.36 -1.26 -1.10 117.98 120.22 3e1f s PHE 931 Ca -0.12 -0.34 -0.25 0.00 -0.96 0.00 0.00 56.93 55.26 3e1f s PHE 931 Cb 0.24 -2.82 -0.10 0.00 -0.34 0.00 0.00 43.02 40.00 3e1f s PHE 931 CO 0.77 -0.64 1.25 -2.30 -1.46 0.00 0.00 175.22 172.84 3e1f n PRO 932 N 5.51 1.87 -3.84 10.12 -0.02 -1.24 -4.96 135.00 142.44 3e1f n PRO 932 Ca -0.08 0.67 -0.01 0.00 -2.02 0.00 0.00 63.50 62.06 3e1f n PRO 932 Cb 0.48 -2.37 0.01 0.00 -0.02 0.00 0.00 33.50 31.60 3e1f n PRO 932 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3e1f s SER 933 N -0.57 -0.03 0.18 2.55 1.04 -1.26 -4.75 113.70 110.85 3e1f s SER 933 Ca 0.62 -0.40 -0.33 0.00 0.48 0.00 0.00 55.95 56.32 3e1f s SER 933 Cb -0.51 0.34 -0.15 0.00 0.10 0.00 0.00 66.02 65.80 3e1f s SER 933 CO 0.57 -0.65 1.34 1.21 0.98 0.00 0.00 173.24 176.69 3e1f n GLU 934 N -0.68 1.61 -3.83 4.02 4.07 0.04 -4.94 120.64 120.94 3e1f n GLU 934 Ca -0.03 0.58 -0.06 0.00 -0.06 0.00 0.00 57.16 57.59 3e1f n GLU 934 Cb 0.60 -2.20 -0.02 0.00 -0.06 0.00 0.00 31.44 29.77 3e1f n GLU 934 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3e1f s ASN 935 N 0.33 -0.25 0.00 4.31 2.20 -1.26 -4.92 114.94 115.35 3e1f s ASN 935 Ca 0.74 -0.56 0.00 0.00 -0.94 0.00 0.00 52.86 52.11 3e1f s ASN 935 Cb -0.77 0.67 0.00 0.00 -2.00 0.00 0.00 41.25 39.15 3e1f s ASN 935 CO 0.48 -1.25 0.00 0.61 -2.94 0.00 0.00 177.10 174.00 3e1f n GLY 936 N -0.46 0.59 3.64 0.45 0.00 -1.26 -4.81 105.19 103.33 3e1f n GLY 936 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 3e1f n GLY 936 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3e1f n LEU 937 N 0.00 4.27 -3.78 0.99 7.94 -1.26 -4.55 117.00 120.62 3e1f n LEU 937 Ca 0.00 0.81 -0.22 0.00 -1.11 0.00 0.00 56.01 55.49 3e1f n LEU 937 Cb 0.05 -1.43 -0.17 0.00 0.53 0.00 0.00 43.42 42.40 3e1f n LEU 937 CO 0.00 -1.64 -0.38 -0.13 -1.11 0.00 0.00 177.39 174.13 3e1f s ARG 938 N -2.90 0.56 0.40 1.96 3.00 0.73 -1.06 118.95 121.64 3e1f s ARG 938 Ca 0.77 0.10 0.04 0.00 0.00 0.00 0.00 55.73 56.64 3e1f s ARG 938 Cb -0.41 -0.89 -0.00 0.00 0.00 0.00 0.00 34.95 33.65 3e1f s ARG 938 CO 0.45 -0.27 0.57 0.00 0.00 0.00 0.00 175.30 176.06 3e1f n GLY 940 N -1.87 -0.42 3.69 0.00 0.00 -1.20 -1.87 105.19 103.52 3e1f n GLY 940 Ca 0.02 0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3e1f n GLY 940 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3e1f s THR 941 N -3.41 5.36 -0.04 2.61 2.01 0.15 -3.44 115.64 118.89 3e1f s THR 941 Ca 0.26 0.25 0.22 0.00 0.31 0.00 0.00 61.69 62.73 3e1f s THR 941 Cb -0.12 -3.52 -0.34 0.00 0.01 0.00 0.00 72.50 68.54 3e1f s THR 941 CO 0.76 0.37 0.46 0.54 -0.69 0.00 0.00 174.62 176.07 3e1f n ARG 942 N 3.98 0.66 -3.69 4.92 5.12 0.31 -1.65 116.66 126.30 3e1f n ARG 942 Ca -0.15 -0.19 -0.12 0.00 -1.93 0.00 0.00 57.85 55.47 3e1f n ARG 942 Cb 0.52 -1.52 -0.12 0.00 -1.16 0.00 0.00 32.46 30.18 3e1f n ARG 942 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 3e1f s GLU 943 N -3.47 0.24 -0.10 5.56 2.12 -1.17 -1.69 118.70 120.20 3e1f s GLU 943 Ca -0.08 0.73 0.03 0.00 0.36 0.00 0.00 54.97 56.00 3e1f s GLU 943 Cb 0.14 -0.01 0.01 0.00 0.26 0.00 0.00 34.13 34.52 3e1f s GLU 943 CO 0.91 -0.21 -0.19 -1.17 -0.54 0.00 0.00 175.26 174.05 3e1f s LEU 944 N 1.84 1.90 -0.16 2.70 2.96 0.25 0.23 118.68 128.40 3e1f s LEU 944 Ca -0.05 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.40 3e1f s LEU 944 Cb -0.11 -1.19 0.02 0.00 0.50 0.00 0.00 46.19 45.41 3e1f s LEU 944 CO -0.10 0.09 -0.15 0.20 -1.32 0.00 0.00 176.35 175.06 3e1f s ASN 945 N 0.61 2.87 -0.08 3.68 0.01 0.30 -0.34 114.94 121.99 3e1f s ASN 945 Ca -0.14 -0.57 -0.03 0.00 -0.71 0.00 0.00 52.86 51.41 3e1f s ASN 945 Cb -0.16 -1.26 0.05 0.00 0.41 0.00 0.00 41.25 40.28 3e1f s ASN 945 CO 0.04 -0.05 0.13 -0.47 -1.51 0.00 0.00 177.10 175.24 3e1f s TYR 946 N 1.43 -0.08 0.00 2.20 5.04 -0.94 -1.70 117.35 123.30 3e1f s TYR 946 Ca 0.04 0.41 0.00 0.00 -2.44 0.00 0.00 57.07 55.09 3e1f s TYR 946 Cb -0.13 -0.37 0.00 0.00 0.35 0.00 0.00 41.96 41.81 3e1f s TYR 946 CO -0.11 -0.28 0.00 0.41 -1.34 0.00 0.00 175.55 174.23 3e1f n GLY 947 N 5.31 3.14 0.18 8.97 0.00 -1.26 -1.40 105.19 120.13 3e1f n GLY 947 Ca -0.04 -0.25 0.14 0.00 0.00 0.00 0.00 46.02 45.86 3e1f n GLY 947 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3e1f h PRO 948 N 0.00 0.00 -7.22 1.61 0.13 -1.96 -3.46 132.00 121.09 3e1f h PRO 948 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 3e1f h PRO 948 Cb 0.00 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.17 3e1f h PRO 948 CO 0.00 0.00 0.38 -1.01 -0.23 0.00 0.00 178.00 177.14 3e1f s HIS 949 N -3.34 3.27 -0.17 1.56 3.76 -0.49 -0.65 115.29 119.23 3e1f s HIS 949 Ca 0.05 1.46 -0.09 0.00 -0.15 0.00 0.00 55.06 56.34 3e1f s HIS 949 Cb 0.09 -2.87 0.06 0.00 1.11 0.00 0.00 32.58 30.97 3e1f s HIS 949 CO 0.53 -0.75 0.41 -1.14 -0.85 0.00 0.00 174.74 172.95 3e1f s GLN 950 N -4.25 0.38 -0.06 1.40 0.74 -0.60 -2.21 119.66 115.06 3e1f s GLN 950 Ca 0.60 0.83 0.06 0.00 0.05 0.00 0.00 55.36 56.90 3e1f s GLN 950 Cb -0.13 0.03 -0.01 0.00 1.10 0.00 0.00 33.01 34.00 3e1f s GLN 950 CO 0.37 -0.17 -0.24 -1.58 -0.55 0.00 0.00 175.29 173.12 3e1f s TRP 951 N 1.59 2.48 0.05 1.67 0.51 0.53 -2.02 118.94 123.75 3e1f s TRP 951 Ca -0.08 -0.68 0.06 0.00 -2.12 0.00 0.00 56.10 53.27 3e1f s TRP 951 Cb -0.09 -1.61 -0.03 0.00 -0.81 0.00 0.00 33.47 30.93 3e1f s TRP 951 CO -0.13 -0.19 -0.16 1.03 -0.51 0.00 0.00 176.95 176.99 3e1f s ARG 952 N -0.18 1.02 0.00 4.98 0.52 -0.55 -0.59 118.95 124.16 3e1f s ARG 952 Ca -0.03 -0.88 0.00 0.00 -0.52 0.00 0.00 55.73 54.30 3e1f s ARG 952 Cb -0.14 -1.08 0.00 0.00 0.52 0.00 0.00 34.95 34.25 3e1f s ARG 952 CO 0.04 0.26 0.00 0.41 0.02 0.00 0.00 175.30 176.03 3e1f n GLY 953 N 1.67 -0.48 2.46 -3.53 0.00 -0.68 -1.29 105.19 103.35 3e1f n GLY 953 Ca -0.19 -0.27 -0.16 0.00 0.00 0.00 0.00 46.02 45.41 3e1f n GLY 953 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3e1f n ASP 954 N 0.00 -1.34 -4.58 1.61 2.03 -1.24 -4.02 116.55 109.02 3e1f n ASP 954 Ca 0.00 -2.99 -0.32 0.00 0.52 0.00 0.00 54.79 52.00 3e1f n ASP 954 Cb 0.00 0.57 -0.07 0.00 -0.72 0.00 0.00 41.12 40.90 3e1f n ASP 954 CO 0.00 0.00 0.00 2.22 -1.92 0.00 0.00 177.20 177.50 3e1f n PHE 955 N 1.54 0.97 -4.39 -0.67 1.16 -0.66 -4.86 117.46 110.55 3e1f n PHE 955 Ca 0.15 -2.61 -0.24 0.00 -1.87 0.00 0.00 57.45 52.88 3e1f n PHE 955 Cb 0.58 -0.27 -0.09 0.00 -1.61 0.00 0.00 39.48 38.09 3e1f n PHE 955 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 3e1f s GLN 956 N -3.82 1.90 0.07 3.97 -1.52 0.17 -0.67 119.66 119.74 3e1f s GLN 956 Ca 0.05 -1.59 -0.26 0.00 -1.95 0.00 0.00 55.36 51.60 3e1f s GLN 956 Cb 0.00 -1.94 0.09 0.00 -0.22 0.00 0.00 33.01 30.94 3e1f s GLN 956 CO 0.03 0.36 0.76 -0.59 -0.25 0.00 0.00 175.29 175.61 3e1f s PHE 957 N -2.31 -0.43 -0.08 0.91 -0.71 -0.60 -0.95 117.98 113.82 3e1f s PHE 957 Ca 0.29 0.26 -0.06 0.00 -1.04 0.00 0.00 56.93 56.39 3e1f s PHE 957 Cb -0.06 0.55 0.03 0.00 -1.21 0.00 0.00 43.02 42.33 3e1f s PHE 957 CO 0.16 -0.67 0.20 0.54 -1.34 0.00 0.00 175.22 174.10 3e1f s ASN 958 N -2.59 -0.20 -0.06 1.98 2.20 -0.99 -0.19 114.94 115.09 3e1f s ASN 958 Ca 0.03 0.41 -0.01 0.00 -0.94 0.00 0.00 52.86 52.35 3e1f s ASN 958 Cb -0.01 0.36 0.03 0.00 -2.00 0.00 0.00 41.25 39.63 3e1f s ASN 958 CO -0.11 -0.10 0.00 -0.51 -2.94 0.00 0.00 177.10 173.44 3e1f s ILE 959 N 0.57 0.32 0.16 0.54 2.07 -1.26 -2.03 121.20 121.57 3e1f s ILE 959 Ca -0.04 0.13 -0.04 0.00 -1.41 0.00 0.00 60.65 59.29 3e1f s ILE 959 Cb -0.05 -0.48 0.02 0.00 0.13 0.00 0.00 42.46 42.08 3e1f s ILE 959 CO -0.03 0.24 0.29 -1.54 -1.91 0.00 0.00 174.94 171.99 3e1f n SER 960 N 5.02 -0.83 -1.20 4.50 3.41 -0.96 -4.63 113.62 118.93 3e1f n SER 960 Ca -0.09 -1.68 0.08 0.00 -0.26 0.00 0.00 58.87 56.92 3e1f n SER 960 Cb 0.50 1.41 0.27 0.00 -0.26 0.00 0.00 64.21 66.13 3e1f n SER 960 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3e1f n ARG 961 N -0.22 2.75 -5.04 4.33 5.12 -1.26 -0.08 116.66 122.27 3e1f n ARG 961 Ca -0.02 -2.19 -0.29 0.00 -1.93 0.00 0.00 57.85 53.41 3e1f n ARG 961 Cb 0.24 -1.60 -0.17 0.00 -1.16 0.00 0.00 32.46 29.77 3e1f n ARG 961 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3e1f s TYR 962 N -1.49 2.18 0.49 -1.55 2.02 -1.26 -1.34 117.35 116.40 3e1f s TYR 962 Ca 0.40 -0.81 -0.18 0.00 -0.37 0.00 0.00 57.07 56.11 3e1f s TYR 962 Cb 0.23 -1.47 -0.09 0.00 -0.40 0.00 0.00 41.96 40.23 3e1f s TYR 962 CO 0.23 -0.32 0.98 -1.54 -1.57 0.00 0.00 175.55 173.33 3e1f s SER 963 N 0.29 6.68 0.35 2.29 1.04 -1.26 -4.82 113.70 118.27 3e1f s SER 963 Ca -0.14 1.64 0.08 0.00 0.48 0.00 0.00 55.95 58.01 3e1f s SER 963 Cb -0.16 -2.52 0.78 0.00 0.10 0.00 0.00 66.02 64.22 3e1f s SER 963 CO 0.06 -0.54 1.89 1.56 0.98 0.00 0.00 173.24 177.19 3e1f h GLN 964 N 1.26 0.71 0.45 4.02 1.08 -2.00 -1.02 115.11 119.60 3e1f h GLN 964 Ca -0.48 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 56.66 3e1f h GLN 964 Cb 1.19 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 28.46 3e1f h GLN 964 CO 0.61 0.47 -0.21 0.37 -0.95 0.00 0.00 178.83 179.11 3e1f h GLN 965 N 0.73 -0.58 -0.45 1.46 4.15 -1.99 -1.39 115.11 117.04 3e1f h GLN 965 Ca 0.41 0.04 0.07 0.00 0.77 0.00 0.00 58.65 59.94 3e1f h GLN 965 Cb 0.57 0.13 -0.06 0.00 0.21 0.00 0.00 27.48 28.33 3e1f h GLN 965 CO -0.17 -0.34 0.08 0.37 -1.93 0.00 0.00 178.83 176.83 3e1f h GLN 966 N -0.68 0.21 -0.96 1.69 4.15 -1.75 -1.40 115.11 116.37 3e1f h GLN 966 Ca -0.06 -0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.47 3e1f h GLN 966 Cb 0.50 -0.05 -0.09 0.00 0.21 0.00 0.00 27.48 28.06 3e1f h GLN 966 CO 0.10 0.14 0.59 -0.07 -1.93 0.00 0.00 178.83 177.65 3e1f h LEU 967 N 0.21 0.84 0.00 -2.39 3.38 -1.05 0.16 115.31 116.46 3e1f h LEU 967 Ca 0.22 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3e1f h LEU 967 Cb 0.29 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3e1f h LEU 967 CO -0.30 0.43 -0.18 1.15 0.09 0.00 0.00 178.44 179.63 3e1f n MET 968 N -4.68 0.05 -0.00 1.13 0.00 -0.54 -3.42 117.12 109.65 3e1f n MET 968 Ca 0.18 0.03 0.10 0.00 0.00 0.00 0.00 57.70 58.01 3e1f n MET 968 Cb 0.37 -1.54 -0.14 0.00 0.00 0.00 0.00 33.22 31.91 3e1f n MET 968 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 3e1f n GLU 969 N -1.62 0.47 -3.66 3.17 1.02 -0.38 -4.94 120.64 114.71 3e1f n GLU 969 Ca 0.06 -0.09 -0.37 0.00 -0.02 0.00 0.00 57.16 56.74 3e1f n GLU 969 Cb 0.35 -1.47 -0.06 0.00 -0.02 0.00 0.00 31.44 30.24 3e1f n GLU 969 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3e1f s THR 970 N -3.15 5.28 -0.13 2.62 2.01 0.42 -5.01 115.64 117.67 3e1f s THR 970 Ca 0.01 0.52 0.17 0.00 0.31 0.00 0.00 61.69 62.70 3e1f s THR 970 Cb 0.14 -3.57 -0.24 0.00 0.01 0.00 0.00 72.50 68.85 3e1f s THR 970 CO 0.85 0.55 0.38 -1.54 -0.69 0.00 0.00 174.62 174.16 3e1f n SER 971 N 2.31 0.34 -4.13 3.53 3.41 -1.26 -4.31 113.62 113.52 3e1f n SER 971 Ca -0.16 0.16 -0.23 0.00 -0.26 0.00 0.00 58.87 58.38 3e1f n SER 971 Cb 0.53 0.73 -0.15 0.00 -0.26 0.00 0.00 64.21 65.06 3e1f n SER 971 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3e1f s HIS 972 N -2.70 1.35 0.65 7.33 3.76 -1.26 -4.18 115.29 120.23 3e1f s HIS 972 Ca -0.07 -0.26 0.37 0.00 -0.15 0.00 0.00 55.06 54.94 3e1f s HIS 972 Cb 0.08 -0.86 2.03 0.00 1.11 0.00 0.00 32.58 34.93 3e1f s HIS 972 CO 0.83 -0.02 2.20 0.07 -0.85 0.00 0.00 174.74 176.98 3e1f h ARG 973 N 5.71 0.00 -0.00 1.40 0.11 -1.32 -1.30 114.38 118.98 3e1f h ARG 973 Ca -0.35 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.73 3e1f h ARG 973 Cb 1.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.24 3e1f h ARG 973 CO 0.48 0.00 -0.11 -2.39 0.10 0.00 0.00 179.97 178.05 3e1f n HIS 974 N -3.25 0.00 0.06 4.08 1.44 -1.26 -3.22 115.22 113.07 3e1f n HIS 974 Ca -0.02 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.80 3e1f n HIS 974 Cb 0.20 -0.17 0.22 0.00 0.12 0.00 0.00 29.99 30.36 3e1f n HIS 974 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3e1f n LEU 975 N -0.92 3.40 -4.73 2.39 4.77 -0.49 -4.94 117.00 116.48 3e1f n LEU 975 Ca 0.15 -1.67 -0.41 0.00 -0.03 0.00 0.00 56.01 54.05 3e1f n LEU 975 Cb 0.28 -0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 41.04 3e1f n LEU 975 CO 0.23 0.78 0.53 -0.76 -1.33 0.00 0.00 177.39 176.84 3e1f s LEU 976 N -1.24 4.40 -0.06 2.23 1.43 -1.20 -5.03 118.68 119.21 3e1f s LEU 976 Ca 0.37 1.48 0.04 0.00 -1.03 0.00 0.00 54.13 54.99 3e1f s LEU 976 Cb 0.21 -3.32 -0.02 0.00 0.03 0.00 0.00 46.19 43.08 3e1f s LEU 976 CO 0.28 -0.10 -0.18 -1.38 0.23 0.00 0.00 176.35 175.20 3e1f s HIS 977 N 0.44 2.61 0.57 0.29 -3.43 -1.26 -5.10 115.29 109.41 3e1f s HIS 977 Ca 0.43 -0.45 -0.21 0.00 -0.80 0.00 0.00 55.06 54.03 3e1f s HIS 977 Cb -0.20 -1.65 -0.04 0.00 -1.43 0.00 0.00 32.58 29.26 3e1f s HIS 977 CO 0.24 -0.03 1.33 0.00 -2.00 0.00 0.00 174.74 174.28 3e1f s ALA 978 N -0.34 2.70 0.37 -1.38 0.00 -1.26 -4.83 121.76 117.01 3e1f s ALA 978 Ca 0.02 1.29 0.08 0.00 0.00 0.00 0.00 51.96 53.35 3e1f s ALA 978 Cb -0.12 -3.56 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 3e1f s ALA 978 CO 0.02 -1.41 0.19 -1.21 0.00 0.00 0.00 175.76 173.35 3e1f s GLU 979 N -3.03 2.38 0.25 0.00 2.02 -0.45 -5.05 118.70 114.81 3e1f s GLU 979 Ca 0.74 -1.60 -0.31 0.00 0.02 0.00 0.00 54.97 53.82 3e1f s GLU 979 Cb -0.39 -2.18 -0.12 0.00 0.10 0.00 0.00 34.13 31.54 3e1f s GLU 979 CO 0.45 0.02 1.67 0.39 0.02 0.00 0.00 175.26 177.81 3e1f n GLU 980 N -1.23 2.74 0.00 1.61 1.02 -1.26 -4.73 120.64 118.79 3e1f n GLU 980 Ca -0.02 0.98 0.00 0.00 -0.02 0.00 0.00 57.16 58.11 3e1f n GLU 980 Cb 0.62 -2.80 0.00 0.00 -0.02 0.00 0.00 31.44 29.24 3e1f n GLU 980 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3e1f n GLY 981 N 3.17 -0.82 3.01 0.62 0.00 -1.26 -4.83 105.19 105.08 3e1f n GLY 981 Ca 0.13 -1.15 -0.28 0.00 0.00 0.00 0.00 46.02 44.72 3e1f n GLY 981 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3e1f s THR 982 N 0.00 1.38 -0.04 2.61 2.01 -0.77 -4.70 115.64 116.12 3e1f s THR 982 Ca 0.00 -0.54 -0.30 0.00 0.31 0.00 0.00 61.69 61.16 3e1f s THR 982 Cb 0.00 -1.29 -0.03 0.00 0.01 0.00 0.00 72.50 71.19 3e1f s THR 982 CO 0.00 0.42 1.09 0.26 -0.69 0.00 0.00 174.62 175.70 3e1f s TRP 983 N 1.27 3.43 -0.17 4.92 0.52 0.89 -0.89 118.94 128.91 3e1f s TRP 983 Ca -0.01 1.45 -0.01 0.00 0.02 0.00 0.00 56.10 57.55 3e1f s TRP 983 Cb -0.14 -3.28 -0.01 0.00 -1.15 0.00 0.00 33.47 28.89 3e1f s TRP 983 CO -0.05 -0.68 -0.11 -1.17 0.02 0.00 0.00 176.95 174.96 3e1f s LEU 984 N 1.71 2.71 -0.30 2.99 2.96 -0.61 -2.26 118.68 125.88 3e1f s LEU 984 Ca 0.53 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 54.07 3e1f s LEU 984 Cb -0.23 -1.64 0.07 0.00 0.50 0.00 0.00 46.19 44.89 3e1f s LEU 984 CO 0.23 0.08 -0.02 0.20 -1.32 0.00 0.00 176.35 175.53 3e1f s ASN 985 N 0.85 4.71 -0.35 3.68 0.01 -0.86 -2.40 114.94 120.58 3e1f s ASN 985 Ca -0.03 -1.61 -0.08 0.00 -0.71 0.00 0.00 52.86 50.42 3e1f s ASN 985 Cb -0.15 -1.63 0.03 0.00 0.41 0.00 0.00 41.25 39.91 3e1f s ASN 985 CO 0.00 -0.29 0.15 -0.63 -1.51 0.00 0.00 177.10 174.83 3e1f s ILE 986 N 1.09 4.14 -0.13 0.60 1.01 -0.08 -2.34 121.20 125.49 3e1f s ILE 986 Ca -0.02 -1.00 -0.06 0.00 0.00 0.00 0.00 60.65 59.57 3e1f s ILE 986 Cb -0.20 -3.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 3e1f s ILE 986 CO -0.05 -0.19 0.10 -1.81 0.00 0.00 0.00 174.94 172.99 3e1f s ASP 987 N 1.47 6.04 0.09 3.58 1.01 -0.12 -0.23 116.67 128.51 3e1f s ASP 987 Ca 0.00 0.32 0.14 0.00 0.71 0.00 0.00 52.55 53.72 3e1f s ASP 987 Cb -0.19 -1.95 -0.13 0.00 1.01 0.00 0.00 42.92 41.66 3e1f s ASP 987 CO 0.04 0.34 1.00 1.23 0.21 0.00 0.00 175.17 178.00 3e1f h GLY 988 N 5.48 0.00 -5.31 0.21 0.00 -1.27 0.50 103.07 102.68 3e1f h GLY 988 Ca -0.50 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.71 3e1f h GLY 988 CO 0.62 0.00 -0.26 -1.36 0.00 0.00 0.00 176.54 175.53 3e1f s PHE 989 N -2.81 -0.46 -0.04 5.60 0.40 -1.00 -4.79 117.98 114.87 3e1f s PHE 989 Ca -0.01 1.09 0.01 0.00 -0.60 0.00 0.00 56.93 57.42 3e1f s PHE 989 Cb 0.09 0.16 0.02 0.00 0.51 0.00 0.00 43.02 43.80 3e1f s PHE 989 CO 0.80 -0.23 -0.06 -1.58 0.70 0.00 0.00 175.22 174.85 3e1f s HIS 990 N 0.39 0.84 0.64 0.36 2.46 -1.26 -0.75 115.29 117.96 3e1f s HIS 990 Ca -0.01 -0.24 -0.18 0.00 0.47 0.00 0.00 55.06 55.10 3e1f s HIS 990 Cb -0.04 -0.69 -0.01 0.00 -0.13 0.00 0.00 32.58 31.71 3e1f s HIS 990 CO -0.01 -0.17 1.21 1.41 -2.47 0.00 0.00 174.74 174.70 3e1f s MET 991 N 0.71 2.72 0.86 2.88 1.75 0.13 -4.74 119.30 123.61 3e1f s MET 991 Ca -0.10 1.81 -0.11 0.00 -1.25 0.00 0.00 55.69 56.04 3e1f s MET 991 Cb -0.13 -1.90 0.11 0.00 2.84 0.00 0.00 34.83 35.75 3e1f s MET 991 CO 0.01 -1.40 1.10 0.20 -0.65 0.00 0.00 175.02 174.28 3e1f s GLY 992 N -1.73 1.66 0.14 2.11 0.00 -0.35 -4.79 107.32 104.35 3e1f s GLY 992 Ca 0.77 0.27 0.19 0.00 0.00 0.00 0.00 44.72 45.95 3e1f s GLY 992 CO 0.37 0.69 0.97 0.16 0.00 0.00 0.00 173.10 175.29 3e1f h ILE 993 N -1.53 0.31 -1.11 0.90 3.07 -1.91 -3.48 117.51 113.75 3e1f h ILE 993 Ca -0.46 -1.58 0.00 0.00 1.55 0.00 0.00 64.86 64.37 3e1f h ILE 993 Cb 1.26 1.84 0.00 0.00 -0.27 0.00 0.00 36.82 39.65 3e1f h ILE 993 CO 0.49 0.17 0.00 0.61 -1.05 0.00 0.00 178.15 178.38 3e1f n GLY 994 N 1.29 -1.00 0.00 0.16 0.00 -1.26 -4.76 105.19 99.62 3e1f n GLY 994 Ca -0.05 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.86 3e1f n GLY 994 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e1f n GLY 995 N 0.00 -0.79 0.34 -0.02 0.00 -1.25 -1.94 105.19 101.53 3e1f n GLY 995 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 3e1f n GLY 995 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3e1f h ASP 996 N 0.00 0.00 -4.04 1.61 3.32 -1.77 -1.93 116.42 113.60 3e1f h ASP 996 Ca 0.00 0.00 0.20 0.00 0.02 0.00 0.00 57.03 57.25 3e1f h ASP 996 Cb 0.00 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 39.34 3e1f h ASP 996 CO 0.00 0.00 0.75 1.51 -1.72 0.00 0.00 179.24 179.78 3e1f s ASP 997 N -4.87 -0.19 -0.35 6.45 1.47 -1.26 -4.15 116.67 113.77 3e1f s ASP 997 Ca -0.04 0.09 0.07 0.00 1.18 0.00 0.00 52.55 53.85 3e1f s ASP 997 Cb 0.11 0.18 0.54 0.00 -0.34 0.00 0.00 42.92 43.42 3e1f s ASP 997 CO 0.37 -0.26 1.59 -1.20 0.68 0.00 0.00 175.17 176.35 3e1f n SER 998 N 0.17 3.13 -0.33 2.11 7.64 -1.26 -4.50 113.62 120.58 3e1f n SER 998 Ca -0.03 -3.75 0.03 0.00 1.01 0.00 0.00 58.87 56.12 3e1f n SER 998 Cb 0.59 -0.69 0.04 0.00 -1.01 0.00 0.00 64.21 63.13 3e1f n SER 998 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 3e1f n TRP 999 N -1.11 0.00 -3.59 1.43 2.14 -1.26 -4.08 117.44 110.97 3e1f n TRP 999 Ca 0.42 -0.27 -0.10 0.00 2.07 0.00 0.00 57.50 59.62 3e1f n TRP 999 Cb 1.17 -0.07 -0.05 0.00 -0.81 0.00 0.00 31.31 31.55 3e1f n TRP 999 CO 0.00 0.00 0.00 -1.54 2.07 0.00 0.00 177.69 178.22 3e1f s SER 1000N -1.38 -0.34 -0.34 -0.67 1.04 -1.26 -4.57 113.70 106.16 3e1f s SER 1000Ca 0.08 0.40 -0.43 0.00 0.48 0.00 0.00 55.95 56.48 3e1f s SER 1000Cb 0.07 0.32 -0.18 0.00 0.10 0.00 0.00 66.02 66.33 3e1f s SER 1000CO 0.01 -0.30 1.59 -2.65 0.98 0.00 0.00 173.24 172.87 3e1f n PRO 1001N 0.83 0.48 -0.18 4.02 -0.02 -1.26 -4.81 135.00 134.05 3e1f n PRO 1001Ca -0.10 0.18 0.04 0.00 -2.02 0.00 0.00 63.50 61.60 3e1f n PRO 1001Cb 0.58 -1.75 0.05 0.00 -0.02 0.00 0.00 33.50 32.36 3e1f n PRO 1001CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3e1f n SER 1002N 4.19 1.21 -4.62 2.55 3.41 -1.26 -5.03 113.62 114.07 3e1f n SER 1002Ca 0.28 -2.26 -0.40 0.00 -0.26 0.00 0.00 58.87 56.23 3e1f n SER 1002Cb 0.03 -0.22 -0.08 0.00 -0.26 0.00 0.00 64.21 63.68 3e1f n SER 1002CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3e1f s VAL 1003N -1.24 5.10 0.42 -3.33 1.01 -1.26 -3.89 120.40 117.21 3e1f s VAL 1003Ca 0.12 0.79 -0.26 0.00 0.00 0.00 0.00 61.98 62.63 3e1f s VAL 1003Cb 0.10 -3.79 -0.10 0.00 0.00 0.00 0.00 36.38 32.60 3e1f s VAL 1003CO 0.01 0.11 1.32 -0.24 0.00 0.00 0.00 175.10 176.31 3e1f n SER 1004N 5.44 2.82 -0.23 3.32 2.88 -1.26 -4.89 113.62 121.71 3e1f n SER 1004Ca -0.05 1.12 0.03 0.00 -1.33 0.00 0.00 58.87 58.64 3e1f n SER 1004Cb 0.50 -1.53 0.14 0.00 -0.75 0.00 0.00 64.21 62.57 3e1f n SER 1004CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3e1f h ALA 1005N 2.21 0.79 0.00 -1.46 0.00 -1.96 -0.22 119.26 118.63 3e1f h ALA 1005Ca -0.49 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3e1f h ALA 1005Cb 1.28 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.34 3e1f h ALA 1005CO 0.61 -0.36 0.00 -0.85 0.00 0.00 0.00 179.25 178.65 3e1f n GLU 1006N -5.20 0.00 -0.31 0.00 0.00 -1.26 -1.09 120.64 112.77 3e1f n GLU 1006Ca 0.12 0.42 0.08 0.00 0.00 0.00 0.00 57.16 57.77 3e1f n GLU 1006Cb 0.41 -1.50 0.21 0.00 0.00 0.00 0.00 31.44 30.55 3e1f n GLU 1006CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 3e1f n PHE 1007N -1.43 0.64 -3.94 -1.84 3.72 -0.09 -4.97 117.46 109.56 3e1f n PHE 1007Ca 0.00 -0.81 -0.35 0.00 -0.05 0.00 0.00 57.45 56.24 3e1f n PHE 1007Cb 0.01 -0.22 -0.12 0.00 -0.94 0.00 0.00 39.48 38.21 3e1f n PHE 1007CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3e1f s GLN 1008N -2.41 3.72 -1.07 -1.08 -0.21 -0.25 -1.21 119.66 117.15 3e1f s GLN 1008Ca 0.35 -0.46 -0.25 0.00 0.02 0.00 0.00 55.36 55.02 3e1f s GLN 1008Cb 0.27 -3.21 -0.14 0.00 1.00 0.00 0.00 33.01 30.93 3e1f s GLN 1008CO 0.09 -0.01 2.06 -0.51 -2.12 0.00 0.00 175.29 174.80 3e1f s LEU 1009N 1.10 2.79 0.00 2.90 1.43 -1.26 -4.53 118.68 121.11 3e1f s LEU 1009Ca 0.04 -1.09 0.02 0.00 -1.03 0.00 0.00 54.13 52.07 3e1f s LEU 1009Cb -0.14 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.49 3e1f s LEU 1009CO 0.03 -3.75 0.36 -1.54 0.23 0.00 0.00 176.35 171.68 3e1f n SER 1010N 16.78 0.71 0.21 2.29 3.41 -1.26 -4.11 113.62 131.66 3e1f n SER 1010Ca 0.43 -0.86 0.15 0.00 -0.26 0.00 0.00 58.87 58.34 3e1f n SER 1010Cb 0.46 0.44 0.60 0.00 -0.26 0.00 0.00 64.21 65.46 3e1f n SER 1010CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3e1f h ALA 1011N 0.39 1.84 0.00 7.33 0.00 -1.99 -3.45 119.26 123.38 3e1f h ALA 1011Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3e1f h ALA 1011Cb 0.08 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3e1f h ALA 1011CO 0.00 -0.70 0.00 0.41 0.00 0.00 0.00 179.25 178.96 3e1f n GLY 1012N -1.40 2.07 3.08 0.00 0.00 -1.26 -4.88 105.19 102.81 3e1f n GLY 1012Ca 0.03 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 3e1f n GLY 1012CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3e1f s ARG 1013N 0.00 2.55 0.23 1.61 0.52 -1.26 0.11 118.95 122.71 3e1f s ARG 1013Ca 0.00 -0.67 0.11 0.00 -0.52 0.00 0.00 55.73 54.65 3e1f s ARG 1013Cb 0.00 -2.19 -0.05 0.00 0.52 0.00 0.00 34.95 33.24 3e1f s ARG 1013CO 0.00 -0.12 -0.21 0.71 0.02 0.00 0.00 175.30 175.70 3e1f s TYR 1014N 1.13 2.19 -0.16 -0.53 1.51 -0.31 -5.00 117.35 116.19 3e1f s TYR 1014Ca -0.02 -0.38 -0.07 0.00 -1.01 0.00 0.00 57.07 55.60 3e1f s TYR 1014Cb -0.14 -1.02 0.06 0.00 -0.11 0.00 0.00 41.96 40.75 3e1f s TYR 1014CO -0.06 0.56 0.36 -1.58 -1.11 0.00 0.00 175.55 173.72 3e1f s HIS 1015N -2.16 -0.57 0.03 2.71 2.46 -1.26 -1.34 115.29 115.16 3e1f s HIS 1015Ca 0.24 1.20 -0.03 0.00 0.47 0.00 0.00 55.06 56.94 3e1f s HIS 1015Cb -0.06 0.19 -0.02 0.00 -0.13 0.00 0.00 32.58 32.56 3e1f s HIS 1015CO 0.11 -0.36 0.03 1.52 -2.47 0.00 0.00 174.74 173.58 3e1f s TYR 1016N 1.82 0.26 -0.03 3.88 1.13 -0.95 -5.04 117.35 118.42 3e1f s TYR 1016Ca -0.06 -0.57 0.02 0.00 -1.41 0.00 0.00 57.07 55.05 3e1f s TYR 1016Cb -0.10 -0.19 0.01 0.00 -1.10 0.00 0.00 41.96 40.57 3e1f s TYR 1016CO -0.11 -0.30 -0.08 1.14 -2.51 0.00 0.00 175.55 173.69 3e1f s GLN 1017N -2.30 0.94 0.15 -3.49 -2.07 -1.26 -1.16 119.66 110.47 3e1f s GLN 1017Ca -0.08 -0.27 0.10 0.00 -1.82 0.00 0.00 55.36 53.28 3e1f s GLN 1017Cb -0.03 -0.88 -0.04 0.00 -1.09 0.00 0.00 33.01 30.96 3e1f s GLN 1017CO -0.04 0.08 -0.22 -0.51 -1.32 0.00 0.00 175.29 173.29 3e1f s LEU 1018N 0.30 2.38 -0.23 2.60 1.43 0.87 -4.36 118.68 121.67 3e1f s LEU 1018Ca -0.05 -0.80 -0.00 0.00 -1.03 0.00 0.00 54.13 52.25 3e1f s LEU 1018Cb -0.09 -0.99 0.06 0.00 0.03 0.00 0.00 46.19 45.20 3e1f s LEU 1018CO 0.01 0.06 -0.01 -0.69 0.23 0.00 0.00 176.35 175.95 3e1f s VAL 1019N -1.58 1.18 -0.06 -1.59 1.01 -0.41 0.27 120.40 119.22 3e1f s VAL 1019Ca 0.14 -1.05 -0.11 0.00 0.00 0.00 0.00 61.98 60.96 3e1f s VAL 1019Cb -0.08 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 3e1f s VAL 1019CO 0.07 -0.20 0.28 0.86 0.00 0.00 0.00 175.10 176.11 3e1f s TRP 1020N 1.55 3.66 0.17 5.22 -0.11 0.11 -1.48 118.94 128.06 3e1f s TRP 1020Ca -0.03 0.77 -0.23 0.00 1.22 0.00 0.00 56.10 57.83 3e1f s TRP 1020Cb -0.18 -2.13 0.08 0.00 -1.50 0.00 0.00 33.47 29.73 3e1f s TRP 1020CO -0.08 0.68 1.03 0.00 -4.62 0.00 0.00 176.95 173.96 3e1f s GLN 1022N -2.45 3.88 0.00 0.00 0.74 -1.26 -1.56 119.66 119.01 3e1f s GLN 1022Ca 0.19 -0.37 0.30 0.00 0.05 0.00 0.00 55.36 55.53 3e1f s GLN 1022Cb -0.02 -3.46 1.76 0.00 1.10 0.00 0.00 33.01 32.40 3e1f s GLN 1022CO 0.04 -0.07 2.10 0.36 -0.55 0.00 0.00 175.29 177.17