#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h9m s LEU 3 N 0.00 4.26 -0.05 -3.43 1.43 -1.26 -5.11 118.68 114.52 3h9m s LEU 3 Ca 0.00 0.28 -0.13 0.00 -1.03 0.00 0.00 54.13 53.25 3h9m s LEU 3 Cb 0.00 -3.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.12 3h9m s LEU 3 CO 0.00 -0.03 0.33 -0.55 0.23 0.00 0.00 176.35 176.33 3h9m s SER 4 N -3.34 6.66 -0.10 2.29 0.15 -1.26 -4.97 113.70 113.14 3h9m s SER 4 Ca 0.37 0.78 0.03 0.00 0.70 0.00 0.00 55.95 57.83 3h9m s SER 4 Cb -0.11 -2.20 0.01 0.00 -1.71 0.00 0.00 66.02 62.01 3h9m s SER 4 CO 0.29 0.30 -0.20 0.12 1.20 0.00 0.00 173.24 174.96 3h9m s PHE 5 N -0.79 2.21 -0.30 3.44 5.36 -1.26 -0.71 117.98 125.91 3h9m s PHE 5 Ca 0.21 -0.93 -0.09 0.00 -0.96 0.00 0.00 56.93 55.16 3h9m s PHE 5 Cb -0.15 -1.52 -0.00 0.00 -0.34 0.00 0.00 43.02 41.01 3h9m s PHE 5 CO 0.10 -0.41 0.13 0.99 -1.46 0.00 0.00 175.22 174.57 3h9m s THR 6 N 0.56 4.43 0.37 0.12 2.01 0.14 -4.95 115.64 118.33 3h9m s THR 6 Ca -0.15 -0.48 -0.28 0.00 0.31 0.00 0.00 61.69 61.09 3h9m s THR 6 Cb -0.17 -3.26 -0.11 0.00 0.01 0.00 0.00 72.50 68.98 3h9m s THR 6 CO 0.05 0.08 1.45 -2.84 -0.69 0.00 0.00 174.62 172.67 3h9m s PRO 7 N 1.58 4.13 0.18 4.92 0.02 -1.26 -0.58 135.00 143.99 3h9m s PRO 7 Ca 0.04 2.50 -0.03 0.00 0.02 0.00 0.00 61.00 63.53 3h9m s PRO 7 Cb -0.17 -2.97 -0.05 0.00 0.02 0.00 0.00 34.50 31.33 3h9m s PRO 7 CO 0.05 -0.48 0.39 -0.51 -0.33 0.00 0.00 177.00 176.12 3h9m s LEU 8 N -2.07 4.24 -0.13 -5.54 1.43 -0.37 -4.88 118.68 111.36 3h9m s LEU 8 Ca 0.52 0.51 0.17 0.00 -1.03 0.00 0.00 54.13 54.31 3h9m s LEU 8 Cb -0.45 -3.26 0.29 0.00 0.03 0.00 0.00 46.19 42.80 3h9m s LEU 8 CO 0.61 -0.00 1.15 1.41 0.23 0.00 0.00 176.35 179.75 3h9m n HIS 9 N -0.29 0.00 -4.25 0.29 8.25 -1.26 -4.82 115.22 113.14 3h9m n HIS 9 Ca -0.03 -1.00 -0.15 0.00 -0.26 0.00 0.00 57.72 56.28 3h9m n HIS 9 Cb 0.53 -0.16 -0.09 0.00 1.12 0.00 0.00 29.99 31.39 3h9m n HIS 9 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3h9m s THR 10 N -2.74 0.06 0.84 1.59 -4.23 -1.26 -5.15 115.64 104.75 3h9m s THR 10 Ca 0.31 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.71 3h9m s THR 10 Cb 0.28 -2.51 0.10 0.00 1.34 0.00 0.00 72.50 71.71 3h9m s THR 10 CO 0.02 0.00 1.15 0.42 -0.54 0.00 0.00 174.62 175.66 3h9m s THR 11 N -3.86 2.40 0.33 3.99 -4.23 -1.26 -4.88 115.64 108.13 3h9m s THR 11 Ca 0.39 0.14 0.03 0.00 -1.18 0.00 0.00 61.69 61.08 3h9m s THR 11 Cb 0.05 -2.39 0.17 0.00 1.34 0.00 0.00 72.50 71.68 3h9m s THR 11 CO 0.18 -0.15 1.89 0.77 -0.54 0.00 0.00 174.62 176.76 3h9m h SER 12 N -1.35 0.55 -0.39 3.99 4.64 -1.84 -2.07 113.55 117.09 3h9m h SER 12 Ca -0.44 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 3h9m h SER 12 Cb 1.27 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 3h9m h SER 12 CO 0.45 0.57 0.25 -0.33 -0.87 0.00 0.00 176.83 176.91 3h9m h GLU 13 N 0.58 0.53 -0.57 4.77 3.07 -1.95 -0.70 114.58 120.31 3h9m h GLU 13 Ca 0.13 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 58.88 3h9m h GLU 13 Cb 0.26 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 3h9m h GLU 13 CO 0.00 0.37 0.09 0.00 -1.40 0.00 0.00 179.01 178.07 3h9m h ALA 14 N 1.12 1.09 -0.20 3.43 0.00 -1.85 -0.58 119.26 122.27 3h9m h ALA 14 Ca 0.14 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 3h9m h ALA 14 Cb -0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3h9m h ALA 14 CO -0.03 0.59 0.11 0.35 0.00 0.00 0.00 179.25 180.28 3h9m h PHE 15 N 0.86 0.27 -0.05 0.00 3.57 -1.01 -2.97 116.94 117.61 3h9m h PHE 15 Ca 0.18 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.57 3h9m h PHE 15 Cb 0.38 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 3h9m h PHE 15 CO 0.02 0.23 -0.44 0.82 -2.23 0.00 0.00 178.31 176.71 3h9m h ILE 16 N 0.22 1.32 -0.68 1.41 1.08 -0.78 0.89 117.51 120.99 3h9m h ILE 16 Ca 0.07 -1.56 0.06 0.00 -0.39 0.00 0.00 64.86 63.04 3h9m h ILE 16 Cb 0.05 1.78 -0.04 0.00 -3.07 0.00 0.00 36.82 35.54 3h9m h ILE 16 CO -0.01 0.45 0.45 -0.33 -0.69 0.00 0.00 178.15 178.02 3h9m h GLU 17 N 0.09 0.69 0.21 2.37 4.39 -1.00 -2.08 114.58 119.25 3h9m h GLU 17 Ca 0.00 -0.04 -0.30 0.00 0.34 0.00 0.00 59.36 59.37 3h9m h GLU 17 Cb 0.82 -0.16 0.03 0.00 -0.10 0.00 0.00 28.75 29.34 3h9m h GLU 17 CO 0.06 0.46 -1.34 0.87 -1.16 0.00 0.00 179.01 177.90 3h9m h LYS 18 N 0.71 0.44 -0.26 2.33 1.57 -1.21 -3.41 116.57 116.75 3h9m h LYS 18 Ca 0.29 -0.76 -0.03 0.00 -1.87 0.00 0.00 60.65 58.28 3h9m h LYS 18 Cb 0.23 0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3h9m h LYS 18 CO -0.09 1.36 0.05 0.00 -0.57 0.00 0.00 179.45 180.21 3h9m h ALA 19 N 0.11 0.35 0.01 3.86 0.00 -0.41 -2.94 119.26 120.23 3h9m h ALA 19 Ca -0.24 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 3h9m h ALA 19 Cb 2.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.69 3h9m h ALA 19 CO 0.22 0.02 -0.00 -0.07 0.00 0.00 0.00 179.25 179.41 3h9m h LEU 20 N 0.25 -0.01 -1.10 0.00 3.38 -1.61 0.97 115.31 117.20 3h9m h LEU 20 Ca 0.08 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3h9m h LEU 20 Cb 0.31 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3h9m h LEU 20 CO 0.00 0.20 0.34 -0.65 0.09 0.00 0.00 178.44 178.43 3h9m h PRO 21 N -0.22 0.97 -0.56 1.13 0.11 -1.78 0.20 132.00 131.85 3h9m h PRO 21 Ca -0.00 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 65.97 3h9m h PRO 21 Cb 0.21 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.11 3h9m h PRO 21 CO 0.00 0.74 0.30 2.35 -0.21 0.00 0.00 178.00 181.19 3h9m h TRP 22 N 0.97 0.77 -0.29 0.65 7.01 -1.30 -2.51 115.95 121.25 3h9m h TRP 22 Ca 0.24 -0.02 -0.17 0.00 2.11 0.00 0.00 58.89 61.05 3h9m h TRP 22 Cb 0.08 -0.25 -0.00 0.00 -2.10 0.00 0.00 29.16 26.89 3h9m h TRP 22 CO 0.01 0.57 -0.49 -0.07 -2.79 0.00 0.00 178.44 175.67 3h9m h LEU 23 N 0.76 0.87 -1.11 0.65 3.38 -0.49 -3.10 115.31 116.26 3h9m h LEU 23 Ca 0.20 -0.44 0.22 0.00 0.09 0.00 0.00 57.88 57.95 3h9m h LEU 23 Cb 0.05 -0.25 -0.10 0.00 0.09 0.00 0.00 40.66 40.45 3h9m h LEU 23 CO -0.03 1.20 0.62 -0.33 0.09 0.00 0.00 178.44 179.99 3h9m h GLU 24 N 0.62 0.62 0.00 1.13 5.08 -0.29 -0.20 114.58 121.54 3h9m h GLU 24 Ca 0.03 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3h9m h GLU 24 Cb 1.07 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.18 3h9m h GLU 24 CO 0.11 0.41 0.00 -0.25 -1.00 0.00 0.00 179.01 178.27 3h9m n ASP 25 N -4.74 0.32 0.00 1.42 8.00 -0.97 -4.27 116.55 116.30 3h9m n ASP 25 Ca 0.24 0.53 0.00 0.00 0.71 0.00 0.00 54.79 56.27 3h9m n ASP 25 Cb 0.67 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 3h9m n ASP 25 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3h9m n ARG 26 N -1.80 1.28 -4.14 -1.24 1.74 -0.38 -5.08 116.66 107.04 3h9m n ARG 26 Ca 0.06 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.98 3h9m n ARG 26 Cb 0.37 -0.89 -0.12 0.00 -1.02 0.00 0.00 32.46 30.80 3h9m n ARG 26 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3h9m s TYR 27 N -1.66 1.07 -1.59 -1.55 2.02 -0.23 -5.05 117.35 110.38 3h9m s TYR 27 Ca 0.00 -0.48 0.19 0.00 -0.37 0.00 0.00 57.07 56.41 3h9m s TYR 27 Cb 0.00 -0.61 -0.05 0.00 -0.40 0.00 0.00 41.96 40.91 3h9m s TYR 27 CO 0.00 0.02 0.94 1.97 -1.57 0.00 0.00 175.55 176.91 3h9m n PHE 28 N 1.28 0.00 -3.84 2.71 -0.00 -1.26 -4.68 117.46 111.68 3h9m n PHE 28 Ca -0.21 0.00 -0.27 0.00 -0.00 0.00 0.00 57.45 56.97 3h9m n PHE 28 Cb 0.54 0.00 -0.17 0.00 -0.00 0.00 0.00 39.48 39.86 3h9m n PHE 28 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.76 175.75 3h9m s HIS 29 N -2.30 1.30 -0.05 2.97 3.76 -1.26 -0.44 115.29 119.28 3h9m s HIS 29 Ca 0.14 -0.78 -0.02 0.00 -0.15 0.00 0.00 55.06 54.25 3h9m s HIS 29 Cb 0.15 -1.13 0.03 0.00 1.11 0.00 0.00 32.58 32.75 3h9m s HIS 29 CO 0.54 -0.53 0.11 0.42 -0.85 0.00 0.00 174.74 174.43 3h9m s ILE 30 N 1.77 -0.05 -0.10 0.60 1.01 -0.24 -1.71 121.20 122.47 3h9m s ILE 30 Ca 0.02 0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.84 3h9m s ILE 30 Cb -0.14 -0.18 0.03 0.00 0.01 0.00 0.00 42.46 42.17 3h9m s ILE 30 CO -0.07 0.07 -0.06 0.00 0.00 0.00 0.00 174.94 174.88 3h9m s ALA 31 N 1.05 1.19 -0.19 9.38 0.00 0.27 -0.88 121.76 132.57 3h9m s ALA 31 Ca -0.08 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.44 3h9m s ALA 31 Cb -0.11 -0.87 0.03 0.00 0.00 0.00 0.00 23.12 22.17 3h9m s ALA 31 CO -0.05 -0.41 -0.17 -0.47 0.00 0.00 0.00 175.76 174.67 3h9m s TYR 32 N 1.73 2.73 -0.21 0.00 5.04 0.57 -0.78 117.35 126.44 3h9m s TYR 32 Ca 0.04 -1.70 -0.05 0.00 -2.44 0.00 0.00 57.07 52.93 3h9m s TYR 32 Cb -0.13 -1.84 -0.02 0.00 0.35 0.00 0.00 41.96 40.32 3h9m s TYR 32 CO -0.07 -0.79 -0.00 -0.51 -1.34 0.00 0.00 175.55 172.83 3h9m s LEU 33 N 1.30 3.18 -0.25 6.97 1.43 0.17 -1.35 118.68 130.14 3h9m s LEU 33 Ca 0.02 -0.25 -0.00 0.00 -1.03 0.00 0.00 54.13 52.87 3h9m s LEU 33 Cb -0.15 -1.81 0.07 0.00 0.03 0.00 0.00 46.19 44.33 3h9m s LEU 33 CO -0.11 0.03 0.00 0.21 0.23 0.00 0.00 176.35 176.72 3h9m s ASN 34 N 1.18 3.77 0.00 2.29 2.47 -0.24 -2.48 114.94 121.92 3h9m s ASN 34 Ca 0.03 -1.27 0.24 0.00 0.42 0.00 0.00 52.86 52.28 3h9m s ASN 34 Cb -0.14 -1.04 1.16 0.00 -1.45 0.00 0.00 41.25 39.77 3h9m s ASN 34 CO 0.01 -0.30 1.80 -0.81 -3.72 0.00 0.00 177.10 174.08 3h9m n PRO 35 N 4.75 0.22 -3.67 0.43 -0.04 -1.26 -2.94 135.00 132.49 3h9m n PRO 35 Ca -0.08 0.07 -0.28 0.00 -0.04 0.00 0.00 63.50 63.17 3h9m n PRO 35 Cb 0.44 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.42 3h9m n PRO 35 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3h9m n ASN 36 N -1.36 -4.76 -1.33 3.54 4.13 -1.26 -1.83 115.26 112.40 3h9m n ASN 36 Ca 0.09 -0.62 -0.17 0.00 1.68 0.00 0.00 54.58 55.56 3h9m n ASN 36 Cb 0.22 -3.83 -0.07 0.00 -1.54 0.00 0.00 39.78 34.57 3h9m n ASN 36 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3h9m n GLY 37 N -1.55 1.65 2.75 7.41 0.00 -1.26 -4.89 105.19 109.30 3h9m n GLY 37 Ca 0.01 -0.20 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 3h9m n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3h9m n TYR 38 N -2.54 2.75 0.23 1.61 4.01 -0.76 -4.71 117.16 117.75 3h9m n TYR 38 Ca -0.17 -2.61 0.11 0.00 -0.16 0.00 0.00 57.90 55.07 3h9m n TYR 38 Cb 0.56 -2.25 0.49 0.00 -0.31 0.00 0.00 39.34 37.83 3h9m n TYR 38 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3h9m h THR 39 N 3.92 0.47 -0.39 -0.72 2.02 -1.90 -2.79 112.91 113.53 3h9m h THR 39 Ca 0.57 -1.02 0.00 0.00 0.77 0.00 0.00 66.41 66.73 3h9m h THR 39 Cb 0.55 1.72 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 3h9m h THR 39 CO 1.86 0.19 0.00 0.00 0.37 0.00 0.00 175.52 177.93 3h9m n ALA 40 N -2.21 2.45 -1.79 6.16 0.00 -1.26 -4.90 120.51 118.96 3h9m n ALA 40 Ca 0.00 -0.80 -0.41 0.00 0.00 0.00 0.00 53.44 52.23 3h9m n ALA 40 Cb 0.41 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.87 3h9m n ALA 40 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3h9m s TYR 41 N -1.49 2.77 0.10 0.00 5.04 -1.05 -4.87 117.35 117.84 3h9m s TYR 41 Ca 0.34 1.15 -0.31 0.00 -2.44 0.00 0.00 57.07 55.81 3h9m s TYR 41 Cb 0.18 -3.93 -0.09 0.00 0.35 0.00 0.00 41.96 38.47 3h9m s TYR 41 CO 0.25 -2.79 1.68 -1.25 -1.34 0.00 0.00 175.55 172.10 3h9m s PRO 42 N -1.57 4.18 0.00 4.97 0.04 -1.26 -0.86 135.00 140.50 3h9m s PRO 42 Ca 0.54 2.41 0.00 0.00 0.04 0.00 0.00 61.00 63.99 3h9m s PRO 42 Cb -0.45 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 30.58 3h9m s PRO 42 CO 0.56 -0.74 0.00 1.04 0.04 0.00 0.00 177.00 177.90 3h9m n GLN 43 N 5.33 -0.93 0.00 4.56 1.13 -1.26 -4.77 117.38 121.44 3h9m n GLN 43 Ca 0.16 0.23 0.00 0.00 -1.94 0.00 0.00 57.00 55.45 3h9m n GLN 43 Cb 0.39 -3.95 0.00 0.00 0.11 0.00 0.00 30.24 26.80 3h9m n GLN 43 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3h9m n GLY 44 N -1.10 -0.89 0.37 1.08 0.00 -0.04 -5.04 105.19 99.57 3h9m n GLY 44 Ca 0.00 -1.48 -0.03 0.00 0.00 0.00 0.00 46.02 44.51 3h9m n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h9m n ALA 45 N -0.19 -0.12 -1.67 4.61 0.00 -1.26 -4.89 120.51 116.98 3h9m n ALA 45 Ca 0.00 -0.17 -0.41 0.00 0.00 0.00 0.00 53.44 52.86 3h9m n ALA 45 Cb 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 3h9m n ALA 45 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3h9m n PHE 46 N -2.08 1.75 -1.62 0.00 3.72 -1.01 -4.96 117.46 113.26 3h9m n PHE 46 Ca 0.02 0.52 -0.40 0.00 -0.05 0.00 0.00 57.45 57.53 3h9m n PHE 46 Cb 0.06 -2.32 0.02 0.00 -0.94 0.00 0.00 39.48 36.30 3h9m n PHE 46 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3h9m n ARG 47 N 0.04 1.33 -2.98 -1.08 5.12 -1.26 -4.25 116.66 113.57 3h9m n ARG 47 Ca 0.08 0.48 -0.44 0.00 -1.93 0.00 0.00 57.85 56.04 3h9m n ARG 47 Cb 0.39 -2.11 -0.00 0.00 -1.16 0.00 0.00 32.46 29.58 3h9m n ARG 47 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 3h9m s HIS 48 N -1.32 3.52 -0.06 -1.55 5.65 -1.26 -4.47 115.29 115.79 3h9m s HIS 48 Ca 0.65 -2.08 0.01 0.00 0.25 0.00 0.00 55.06 53.90 3h9m s HIS 48 Cb -0.52 -4.26 -0.03 0.00 -1.18 0.00 0.00 32.58 26.59 3h9m s HIS 48 CO 0.55 -1.36 -0.06 0.71 -0.65 0.00 0.00 174.74 173.92 3h9m s TYR 49 N 1.47 2.95 -0.20 3.88 2.02 -1.04 -0.45 117.35 125.98 3h9m s TYR 49 Ca 0.40 0.03 0.01 0.00 -0.37 0.00 0.00 57.07 57.13 3h9m s TYR 49 Cb -0.04 -1.71 0.05 0.00 -0.40 0.00 0.00 41.96 39.86 3h9m s TYR 49 CO -0.02 0.34 -0.09 -1.17 -1.57 0.00 0.00 175.55 173.05 3h9m s LEU 50 N -0.86 2.21 -0.04 -1.29 2.96 0.06 -0.65 118.68 121.07 3h9m s LEU 50 Ca 0.13 -0.90 0.06 0.00 -0.22 0.00 0.00 54.13 53.20 3h9m s LEU 50 Cb -0.11 -1.17 -0.01 0.00 0.50 0.00 0.00 46.19 45.40 3h9m s LEU 50 CO 0.02 -0.17 -0.22 0.00 -1.32 0.00 0.00 176.35 174.66 3h9m s ALA 51 N 1.44 1.88 0.21 5.97 0.00 0.04 -0.72 121.76 130.59 3h9m s ALA 51 Ca -0.02 -0.92 -0.22 0.00 0.00 0.00 0.00 51.96 50.81 3h9m s ALA 51 Cb -0.16 -0.56 0.05 0.00 0.00 0.00 0.00 23.12 22.44 3h9m s ALA 51 CO -0.08 0.39 0.65 -0.59 0.00 0.00 0.00 175.76 176.13 3h9m s PHE 52 N -0.22 -0.36 0.23 0.00 -0.12 -0.38 -0.57 117.98 116.56 3h9m s PHE 52 Ca 0.00 0.04 0.00 0.00 -0.05 0.00 0.00 56.93 56.92 3h9m s PHE 52 Cb -0.11 0.61 0.00 0.00 -0.63 0.00 0.00 43.02 42.89 3h9m s PHE 52 CO 0.02 -1.02 0.00 0.41 -0.05 0.00 0.00 175.22 174.58 3h9m n GLY 53 N -0.41 -1.96 3.52 1.99 0.00 -0.70 -1.42 105.19 106.21 3h9m n GLY 53 Ca -0.11 -1.30 -0.16 0.00 0.00 0.00 0.00 46.02 44.45 3h9m n GLY 53 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h9m s SER 54 N -5.52 -0.64 0.02 1.61 1.04 -1.26 -2.57 113.70 106.38 3h9m s SER 54 Ca 0.00 0.97 0.22 0.00 0.48 0.00 0.00 55.95 57.62 3h9m s SER 54 Cb 0.00 0.92 -0.13 0.00 0.10 0.00 0.00 66.02 66.92 3h9m s SER 54 CO 0.00 -0.41 0.86 -1.84 0.98 0.00 0.00 173.24 172.83 3h9m n GLU 55 N 1.82 0.29 -3.69 4.02 0.28 -0.24 -4.73 120.64 118.39 3h9m n GLU 55 Ca -0.17 -0.05 -0.13 0.00 -0.16 0.00 0.00 57.16 56.65 3h9m n GLU 55 Cb 0.56 -1.55 -0.09 0.00 1.43 0.00 0.00 31.44 31.80 3h9m n GLU 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3h9m s ALA 56 N -3.21 -1.33 -0.10 -1.84 0.00 -1.24 -5.00 121.76 109.03 3h9m s ALA 56 Ca 0.02 1.52 -0.10 0.00 0.00 0.00 0.00 51.96 53.40 3h9m s ALA 56 Cb 0.15 -0.89 0.03 0.00 0.00 0.00 0.00 23.12 22.41 3h9m s ALA 56 CO 0.85 -0.25 0.29 0.00 0.00 0.00 0.00 175.76 176.64 3h9m s ALA 57 N 0.30 -0.72 -0.03 0.00 0.00 -1.26 -0.96 121.76 119.09 3h9m s ALA 57 Ca -0.00 0.78 0.01 0.00 0.00 0.00 0.00 51.96 52.75 3h9m s ALA 57 Cb -0.04 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.66 3h9m s ALA 57 CO 0.01 -0.14 -0.02 0.42 0.00 0.00 0.00 175.76 176.03 3h9m s ILE 58 N 0.06 0.28 -0.24 0.00 1.01 -0.18 -5.01 121.20 117.12 3h9m s ILE 58 Ca -0.01 0.01 -0.03 0.00 0.00 0.00 0.00 60.65 60.61 3h9m s ILE 58 Cb -0.02 -0.34 0.00 0.00 0.01 0.00 0.00 42.46 42.11 3h9m s ILE 58 CO 0.01 0.16 -0.04 -2.28 0.00 0.00 0.00 174.94 172.79 3h9m s HIS 59 N 0.87 3.01 -0.22 3.97 5.65 -1.26 -1.46 115.29 125.84 3h9m s HIS 59 Ca -0.09 -1.14 -0.09 0.00 0.25 0.00 0.00 55.06 53.98 3h9m s HIS 59 Cb -0.13 -2.11 -0.04 0.00 -1.18 0.00 0.00 32.58 29.12 3h9m s HIS 59 CO -0.01 -0.61 0.12 0.08 -0.65 0.00 0.00 174.74 173.67 3h9m s VAL 60 N 1.43 5.08 -0.07 0.89 1.01 -0.05 -4.97 120.40 123.72 3h9m s VAL 60 Ca 0.04 0.08 0.20 0.00 0.00 0.00 0.00 61.98 62.29 3h9m s VAL 60 Cb -0.15 -3.35 -0.30 0.00 0.00 0.00 0.00 36.38 32.58 3h9m s VAL 60 CO -0.03 0.38 0.35 -1.54 0.00 0.00 0.00 175.10 174.25 3h9m n SER 61 N 4.15 0.29 -4.49 3.32 3.41 -1.26 -0.52 113.62 118.52 3h9m n SER 61 Ca -0.16 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.02 3h9m n SER 61 Cb 0.52 1.68 -0.07 0.00 -0.26 0.00 0.00 64.21 66.08 3h9m n SER 61 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3h9m s ASP 62 N -4.64 6.26 0.00 4.04 -1.08 -1.26 -4.53 116.67 115.46 3h9m s ASP 62 Ca -0.08 -0.60 0.07 0.00 -0.52 0.00 0.00 52.55 51.42 3h9m s ASP 62 Cb 0.11 -2.29 0.33 0.00 -1.46 0.00 0.00 42.92 39.61 3h9m s ASP 62 CO 0.84 -0.78 1.20 0.00 0.52 0.00 0.00 175.17 176.95 3h9m n ALA 63 N 6.11 1.39 1.31 3.66 0.00 -1.26 -1.54 120.51 130.18 3h9m n ALA 63 Ca -0.04 -0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.50 3h9m n ALA 63 Cb 0.47 -1.12 0.51 0.00 0.00 0.00 0.00 19.45 19.31 3h9m n ALA 63 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3h9m n THR 64 N -1.44 0.00 -0.56 0.00 -2.24 -1.26 -3.12 114.28 105.66 3h9m n THR 64 Ca 0.02 -0.08 0.06 0.00 -2.27 0.00 0.00 64.05 61.79 3h9m n THR 64 Cb 0.08 0.08 0.16 0.00 -2.10 0.00 0.00 70.33 68.55 3h9m n THR 64 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3h9m n ARG 65 N -0.89 2.65 0.06 -0.78 1.74 -0.59 -4.45 116.66 114.40 3h9m n ARG 65 Ca 0.13 -2.30 -0.13 0.00 -0.77 0.00 0.00 57.85 54.78 3h9m n ARG 65 Cb 0.31 -1.45 -0.08 0.00 -1.02 0.00 0.00 32.46 30.22 3h9m n ARG 65 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3h9m h VAL 66 N 1.25 1.02 0.00 1.55 2.07 -1.73 -1.37 116.25 119.04 3h9m h VAL 66 Ca 0.00 -0.33 -0.15 0.00 0.82 0.00 0.00 66.70 67.04 3h9m h VAL 66 Cb 0.97 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 3h9m h VAL 66 CO 0.07 0.08 -0.84 -0.26 0.02 0.00 0.00 177.57 176.64 3h9m h PHE 67 N -0.25 0.00 -0.15 1.57 0.04 -1.87 -1.51 116.94 114.77 3h9m h PHE 67 Ca -0.01 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.78 3h9m h PHE 67 Cb 0.21 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 3h9m h PHE 67 CO -0.02 0.69 0.01 1.49 -0.60 0.00 0.00 178.31 179.87 3h9m h GLU 68 N 0.00 0.06 -0.42 1.51 4.81 -1.85 -0.58 114.58 118.10 3h9m h GLU 68 Ca -0.04 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 3h9m h GLU 68 Cb 1.56 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.91 3h9m h GLU 68 CO 0.08 0.04 0.09 1.15 -0.73 0.00 0.00 179.01 179.65 3h9m h THR 69 N 0.06 1.23 -0.46 0.32 2.02 -1.18 -1.69 112.91 113.21 3h9m h THR 69 Ca 0.07 -0.82 0.05 0.00 0.77 0.00 0.00 66.41 66.49 3h9m h THR 69 Cb 0.08 0.96 -0.05 0.00 -1.74 0.00 0.00 68.15 67.40 3h9m h THR 69 CO -0.11 0.29 0.18 -0.25 0.37 0.00 0.00 175.52 176.00 3h9m h TRP 70 N 0.55 0.33 -0.92 3.16 2.91 -1.06 -0.79 115.95 120.13 3h9m h TRP 70 Ca 0.13 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.16 3h9m h TRP 70 Cb 0.33 -0.08 -0.04 0.00 -0.51 0.00 0.00 29.16 28.86 3h9m h TRP 70 CO 0.02 0.14 0.54 -0.91 -1.03 0.00 0.00 178.44 177.19 3h9m h ASN 71 N 0.37 1.13 -0.47 2.65 4.21 -0.93 -1.56 115.58 120.97 3h9m h ASN 71 Ca 0.21 -0.08 -0.05 0.00 1.21 0.00 0.00 56.30 57.59 3h9m h ASN 71 Cb 0.18 -0.29 -0.02 0.00 -1.12 0.00 0.00 38.32 37.08 3h9m h ASN 71 CO -0.20 0.88 0.10 -0.33 -1.29 0.00 0.00 177.43 176.59 3h9m h GLU 72 N 1.28 0.77 -0.34 0.81 5.08 -0.40 -1.71 114.58 120.07 3h9m h GLU 72 Ca 0.33 -0.20 -0.16 0.00 -1.00 0.00 0.00 59.36 58.33 3h9m h GLU 72 Cb -0.02 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 3h9m h GLU 72 CO -0.06 0.77 -0.42 0.82 -1.00 0.00 0.00 179.01 179.12 3h9m h ILE 73 N 0.65 1.28 -0.83 3.13 2.04 -1.03 -2.22 117.51 120.53 3h9m h ILE 73 Ca 0.15 -1.60 -0.03 0.00 1.00 0.00 0.00 64.86 64.37 3h9m h ILE 73 Cb 0.36 1.46 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 3h9m h ILE 73 CO 0.01 0.53 0.40 0.50 0.00 0.00 0.00 178.15 179.58 3h9m h LYS 74 N 0.70 1.19 -0.69 2.37 1.63 -1.20 -0.57 116.57 120.00 3h9m h LYS 74 Ca 0.05 -0.17 -0.05 0.00 -0.85 0.00 0.00 60.65 59.63 3h9m h LYS 74 Cb 1.01 -0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 32.39 3h9m h LYS 74 CO 0.10 0.91 0.25 0.87 -3.45 0.00 0.00 179.45 178.13 3h9m h LYS 75 N 1.18 1.04 0.00 1.90 6.56 -1.12 -2.79 116.57 123.33 3h9m h LYS 75 Ca 0.28 -0.19 -0.05 0.00 -1.06 0.00 0.00 60.65 59.64 3h9m h LYS 75 Cb 0.11 -0.17 -0.01 0.00 -0.57 0.00 0.00 32.23 31.60 3h9m h LYS 75 CO -0.04 0.87 -0.22 0.78 -2.06 0.00 0.00 179.45 178.78 3h9m h GLY 76 N 1.08 0.00 -6.01 3.86 0.00 -0.90 -3.37 103.07 97.73 3h9m h GLY 76 Ca 0.23 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 47.00 3h9m h GLY 76 CO -0.01 0.00 -0.95 -1.72 0.00 0.00 0.00 176.54 173.85 3h9m n TYR 77 N -3.21 1.06 -2.61 5.60 4.01 -0.27 -5.09 117.16 116.65 3h9m n TYR 77 Ca 0.02 -3.78 -0.34 0.00 -0.16 0.00 0.00 57.90 53.63 3h9m n TYR 77 Cb 0.54 -0.42 -0.04 0.00 -0.31 0.00 0.00 39.34 39.11 3h9m n TYR 77 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3h9m s THR 78 N -1.90 3.92 -1.40 -0.72 -4.23 -1.11 -3.78 115.64 106.42 3h9m s THR 78 Ca 0.38 1.27 -0.10 0.00 -1.18 0.00 0.00 61.69 62.06 3h9m s THR 78 Cb 0.19 -3.55 0.03 0.00 1.34 0.00 0.00 72.50 70.51 3h9m s THR 78 CO -0.08 -0.19 1.13 0.59 -0.54 0.00 0.00 174.62 175.53 3h9m n ASN 79 N -0.64 -5.91 -4.12 3.99 5.03 -1.26 -4.97 115.26 107.38 3h9m n ASN 79 Ca 0.08 -0.60 -0.08 0.00 0.87 0.00 0.00 54.58 54.84 3h9m n ASN 79 Cb 0.52 -4.75 -0.10 0.00 -1.02 0.00 0.00 39.78 34.43 3h9m n ASN 79 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 3h9m s GLU 80 N -6.38 0.69 0.13 3.52 2.56 -1.25 -4.68 118.70 113.29 3h9m s GLU 80 Ca 0.59 -1.25 -0.30 0.00 0.00 0.00 0.00 54.97 54.01 3h9m s GLU 80 Cb -0.27 0.06 -0.06 0.00 2.00 0.00 0.00 34.13 35.85 3h9m s GLU 80 CO 0.76 -0.08 1.03 -1.58 -0.56 0.00 0.00 175.26 174.83 3h9m s TRP 81 N -3.78 3.70 -0.07 5.30 0.52 -1.26 -3.42 118.94 119.93 3h9m s TRP 81 Ca 0.08 1.69 -0.00 0.00 0.02 0.00 0.00 56.10 57.89 3h9m s TRP 81 Cb 0.07 -3.16 0.03 0.00 -1.15 0.00 0.00 33.47 29.25 3h9m s TRP 81 CO -0.08 -0.20 -0.03 0.42 0.02 0.00 0.00 176.95 177.08 3h9m s ILE 82 N 0.02 0.57 -0.16 2.03 1.01 -1.26 -4.25 121.20 119.16 3h9m s ILE 82 Ca 0.49 -0.04 -0.06 0.00 0.00 0.00 0.00 60.65 61.03 3h9m s ILE 82 Cb -0.26 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.52 3h9m s ILE 82 CO 0.32 0.27 0.05 -0.36 0.00 0.00 0.00 174.94 175.22 3h9m s PHE 83 N 1.58 3.25 -0.02 3.97 0.40 -0.33 -4.39 117.98 122.45 3h9m s PHE 83 Ca -0.00 0.11 0.02 0.00 -0.60 0.00 0.00 56.93 56.46 3h9m s PHE 83 Cb -0.13 -2.01 0.00 0.00 0.51 0.00 0.00 43.02 41.39 3h9m s PHE 83 CO -0.04 0.25 -0.07 0.08 0.70 0.00 0.00 175.22 176.13 3h9m s VAL 84 N 0.03 0.63 -0.09 -0.44 1.01 -0.44 -1.26 120.40 119.84 3h9m s VAL 84 Ca 0.05 -0.30 0.04 0.00 0.00 0.00 0.00 61.98 61.78 3h9m s VAL 84 Cb -0.12 -0.55 -0.00 0.00 0.00 0.00 0.00 36.38 35.70 3h9m s VAL 84 CO 0.01 0.19 -0.24 0.12 0.00 0.00 0.00 175.10 175.19 3h9m s PHE 85 N 0.08 2.46 -0.11 5.22 5.36 -0.50 -1.41 117.98 129.08 3h9m s PHE 85 Ca -0.01 -0.94 0.01 0.00 -0.96 0.00 0.00 56.93 55.03 3h9m s PHE 85 Cb -0.06 -1.64 0.02 0.00 -0.34 0.00 0.00 43.02 41.00 3h9m s PHE 85 CO -0.00 -0.36 -0.11 0.00 -1.46 0.00 0.00 175.22 173.29 3h9m s ALA 86 N 0.23 1.46 0.80 11.12 0.00 -0.36 -0.67 121.76 134.35 3h9m s ALA 86 Ca -0.15 -0.60 -0.11 0.00 0.00 0.00 0.00 51.96 51.10 3h9m s ALA 86 Cb -0.17 -0.84 0.07 0.00 0.00 0.00 0.00 23.12 22.19 3h9m s ALA 86 CO 0.07 -0.23 1.09 -1.54 0.00 0.00 0.00 175.76 175.15 3h9m s SER 87 N 1.31 4.25 0.44 0.00 1.04 -0.07 -1.07 113.70 119.60 3h9m s SER 87 Ca -0.01 1.74 0.13 0.00 0.48 0.00 0.00 55.95 58.28 3h9m s SER 87 Cb -0.14 -2.43 1.03 0.00 0.10 0.00 0.00 66.02 64.58 3h9m s SER 87 CO -0.05 -2.18 2.03 0.22 0.98 0.00 0.00 173.24 174.24 3h9m h TYR 88 N -1.23 0.37 0.00 5.02 3.20 -1.21 -1.11 116.97 122.01 3h9m h TYR 88 Ca -0.45 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.43 3h9m h TYR 88 Cb 1.24 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.39 3h9m h TYR 88 CO 0.54 0.20 0.00 -0.25 -1.64 0.00 0.00 178.16 177.01 3h9m n ASP 89 N -4.48 0.00 0.07 -2.11 8.00 -1.26 -1.46 116.55 115.31 3h9m n ASP 89 Ca 0.05 0.49 0.04 0.00 0.71 0.00 0.00 54.79 56.09 3h9m n ASP 89 Cb 0.23 -0.49 0.22 0.00 -0.02 0.00 0.00 41.12 41.06 3h9m n ASP 89 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h9m n GLY 90 N -0.66 -0.59 0.43 0.44 0.00 -0.42 -1.17 105.19 103.23 3h9m n GLY 90 Ca 0.02 0.07 0.25 0.00 0.00 0.00 0.00 46.02 46.37 3h9m n GLY 90 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3h9m h LYS 91 N 0.00 0.02 0.00 1.61 2.10 -1.48 -0.30 116.57 118.53 3h9m h LYS 91 Ca 0.00 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3h9m h LYS 91 Cb 0.13 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 3h9m h LYS 91 CO 0.00 0.01 0.00 0.09 -2.00 0.00 0.00 179.45 177.55 3h9m n ASN 92 N -4.32 0.00 -0.24 7.07 3.02 -0.31 -1.54 115.26 118.94 3h9m n ASN 92 Ca 0.16 0.11 0.11 0.00 -0.03 0.00 0.00 54.58 54.92 3h9m n ASN 92 Cb 0.83 -0.34 -0.02 0.00 -0.61 0.00 0.00 39.78 39.63 3h9m n ASN 92 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3h9m n SER 93 N -1.34 1.45 -0.09 6.41 7.64 -0.13 -4.44 113.62 123.12 3h9m n SER 93 Ca 0.09 -1.20 -0.13 0.00 1.01 0.00 0.00 58.87 58.64 3h9m n SER 93 Cb 0.19 0.68 -0.08 0.00 -1.01 0.00 0.00 64.21 63.99 3h9m n SER 93 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3h9m n VAL 94 N -0.78 1.05 -4.38 0.44 0.31 -0.59 -4.80 118.33 109.58 3h9m n VAL 94 Ca 0.07 -0.40 -0.19 0.00 -0.01 0.00 0.00 64.34 63.81 3h9m n VAL 94 Cb 0.39 -1.17 -0.10 0.00 -0.91 0.00 0.00 33.84 32.05 3h9m n VAL 94 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3h9m s GLU 95 N -2.37 1.49 -1.25 5.55 0.41 -0.71 -5.06 118.70 116.77 3h9m s GLU 95 Ca -0.25 -1.79 -0.19 0.00 -0.41 0.00 0.00 54.97 52.33 3h9m s GLU 95 Cb 0.06 -0.68 0.05 0.00 -1.78 0.00 0.00 34.13 31.79 3h9m s GLU 95 CO 0.42 -0.16 1.72 1.14 -0.49 0.00 0.00 175.26 177.89 3h9m s GLN 96 N -3.90 3.77 0.19 1.61 -2.07 -1.26 -4.49 119.66 113.51 3h9m s GLN 96 Ca 0.34 -1.78 0.04 0.00 -1.82 0.00 0.00 55.36 52.13 3h9m s GLN 96 Cb 0.07 -5.48 -0.05 0.00 -1.09 0.00 0.00 33.01 26.46 3h9m s GLN 96 CO 0.13 -2.44 -0.05 -0.51 -1.32 0.00 0.00 175.29 171.10 3h9m s LEU 97 N 5.06 2.36 0.16 2.60 1.43 -1.26 -5.12 118.68 123.91 3h9m s LEU 97 Ca 0.55 -1.12 0.03 0.00 -1.03 0.00 0.00 54.13 52.56 3h9m s LEU 97 Cb 0.03 -0.31 -0.05 0.00 0.03 0.00 0.00 46.19 45.89 3h9m s LEU 97 CO 0.06 -0.42 -0.04 -1.00 0.23 0.00 0.00 176.35 175.18 3h9m s HIS 98 N -3.37 1.25 -0.29 0.29 3.76 -1.26 -4.71 115.29 110.95 3h9m s HIS 98 Ca 0.23 -0.90 0.00 0.00 -0.15 0.00 0.00 55.06 54.24 3h9m s HIS 98 Cb 0.04 -0.69 0.06 0.00 1.11 0.00 0.00 32.58 33.10 3h9m s HIS 98 CO 0.05 -0.07 -0.04 0.99 -0.85 0.00 0.00 174.74 174.82 3h9m s THR 99 N -3.50 2.65 -0.38 1.30 2.01 -1.26 -4.99 115.64 111.47 3h9m s THR 99 Ca 0.20 -1.52 0.23 0.00 0.31 0.00 0.00 61.69 60.91 3h9m s THR 99 Cb 0.05 -2.55 0.08 0.00 0.01 0.00 0.00 72.50 70.08 3h9m s THR 99 CO 0.02 -0.10 1.24 0.77 -0.69 0.00 0.00 174.62 175.86 3h9m h SER 100 N 7.90 0.00 -1.96 3.53 4.64 -2.00 -3.47 113.55 122.19 3h9m h SER 100 Ca -0.20 -0.05 -0.54 0.00 -0.47 0.00 0.00 61.79 60.53 3h9m h SER 100 Cb 1.05 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.07 3h9m h SER 100 CO 0.51 0.03 -0.55 -0.54 -0.87 0.00 0.00 176.83 175.40 3h9m s LYS 101 N -3.28 2.42 0.54 4.77 -0.14 -1.26 -5.07 119.74 117.71 3h9m s LYS 101 Ca 0.03 -1.47 -0.20 0.00 -1.36 0.00 0.00 55.97 52.97 3h9m s LYS 101 Cb 0.10 -2.22 -0.06 0.00 -1.68 0.00 0.00 37.83 33.97 3h9m s LYS 101 CO 0.75 0.18 1.13 -1.21 -0.76 0.00 0.00 175.35 175.43 3h9m s GLU 102 N -3.82 3.40 0.72 1.68 0.41 -1.26 -4.11 118.70 115.71 3h9m s GLU 102 Ca 0.36 1.61 -0.11 0.00 -0.41 0.00 0.00 54.97 56.42 3h9m s GLU 102 Cb -0.04 -2.03 0.02 0.00 -1.78 0.00 0.00 34.13 30.30 3h9m s GLU 102 CO 0.23 -0.81 1.10 0.00 -0.49 0.00 0.00 175.26 175.29 3h9m s ALA 103 N -1.77 2.83 -2.41 5.21 0.00 -1.26 -1.13 121.76 123.23 3h9m s ALA 103 Ca 0.72 -0.36 0.27 0.00 0.00 0.00 0.00 51.96 52.59 3h9m s ALA 103 Cb -0.24 -3.03 0.83 0.00 0.00 0.00 0.00 23.12 20.69 3h9m s ALA 103 CO 0.27 -1.22 1.62 0.41 0.00 0.00 0.00 175.76 176.83 3h9m n GLY 104 N -2.97 0.03 3.58 0.00 0.00 -1.26 -4.87 105.19 99.70 3h9m n GLY 104 Ca 0.07 -0.48 -0.15 0.00 0.00 0.00 0.00 46.02 45.46 3h9m n GLY 104 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3h9m s ILE 105 N -2.11 0.00 -0.17 -0.61 2.07 -1.26 -4.77 121.20 114.34 3h9m s ILE 105 Ca 0.33 -0.01 -0.29 0.00 -1.41 0.00 0.00 60.65 59.27 3h9m s ILE 105 Cb 0.20 -0.98 -0.02 0.00 0.13 0.00 0.00 42.46 41.79 3h9m s ILE 105 CO 0.37 -0.00 1.43 0.00 -1.91 0.00 0.00 174.94 174.83 3h9m s ALA 106 N -0.12 3.53 -0.05 1.50 0.00 -1.26 -4.97 121.76 120.39 3h9m s ALA 106 Ca -0.04 0.51 -0.31 0.00 0.00 0.00 0.00 51.96 52.13 3h9m s ALA 106 Cb -0.03 -3.72 0.07 0.00 0.00 0.00 0.00 23.12 19.44 3h9m s ALA 106 CO 0.04 -1.47 0.70 0.12 0.00 0.00 0.00 175.76 175.15 3h9m s PHE 107 N 4.10 -0.63 0.65 0.00 5.36 -1.26 -4.80 117.98 121.40 3h9m s PHE 107 Ca 0.62 1.05 -0.18 0.00 -0.96 0.00 0.00 56.93 57.46 3h9m s PHE 107 Cb -0.24 0.42 -0.01 0.00 -0.34 0.00 0.00 43.02 42.85 3h9m s PHE 107 CO 0.22 -0.60 1.26 0.00 -1.46 0.00 0.00 175.22 174.64 3h9m n ALA 108 N 0.83 1.03 0.12 11.12 0.00 -1.26 -4.92 120.51 127.43 3h9m n ALA 108 Ca -0.18 -0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.24 3h9m n ALA 108 Cb 0.57 -2.30 0.24 0.00 0.00 0.00 0.00 19.45 17.96 3h9m n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h9m h ALA 109 N 0.50 1.12 -1.95 0.00 0.00 -1.04 -3.43 119.26 114.47 3h9m h ALA 109 Ca -0.51 -0.43 0.10 0.00 0.00 0.00 0.00 54.91 54.07 3h9m h ALA 109 Cb 1.34 -0.08 -0.19 0.00 0.00 0.00 0.00 17.79 18.86 3h9m h ALA 109 CO 0.53 0.60 0.52 0.00 0.00 0.00 0.00 179.25 180.90 3h9m s ALA 110 N -4.03 -1.88 0.05 0.00 0.00 -1.10 -0.89 121.76 113.91 3h9m s ALA 110 Ca -0.04 1.28 0.01 0.00 0.00 0.00 0.00 51.96 53.22 3h9m s ALA 110 Cb 0.13 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.15 3h9m s ALA 110 CO 0.76 -0.52 -0.05 0.95 0.00 0.00 0.00 175.76 176.90 3h9m s THR 111 N -2.21 0.41 -0.01 0.00 -4.23 0.16 -0.87 115.64 108.88 3h9m s THR 111 Ca 0.02 -1.37 -0.00 0.00 -1.18 0.00 0.00 61.69 59.15 3h9m s THR 111 Cb -0.01 -0.94 0.02 0.00 1.34 0.00 0.00 72.50 72.91 3h9m s THR 111 CO -0.04 -0.64 0.03 -0.36 -0.54 0.00 0.00 174.62 173.07 3h9m s PHE 112 N -2.39 -0.00 -0.01 3.99 0.08 -0.54 -1.41 117.98 117.69 3h9m s PHE 112 Ca -0.03 0.10 -0.03 0.00 0.12 0.00 0.00 56.93 57.09 3h9m s PHE 112 Cb -0.03 -0.11 0.00 0.00 -0.57 0.00 0.00 43.02 42.31 3h9m s PHE 112 CO -0.03 -0.05 0.07 -0.59 -0.10 0.00 0.00 175.22 174.52 3h9m s PHE 113 N 0.54 0.01 -0.56 0.36 -0.12 -0.39 -1.02 117.98 116.81 3h9m s PHE 113 Ca -0.04 -0.00 -0.20 0.00 -0.05 0.00 0.00 56.93 56.64 3h9m s PHE 113 Cb -0.06 -0.03 0.07 0.00 -0.63 0.00 0.00 43.02 42.37 3h9m s PHE 113 CO -0.02 -0.12 0.71 0.42 -0.05 0.00 0.00 175.22 176.17 3h9m s ILE 114 N -0.52 4.76 0.63 -4.49 -1.09 -0.13 -1.19 121.20 119.17 3h9m s ILE 114 Ca -0.06 -0.58 -0.17 0.00 -2.23 0.00 0.00 60.65 57.61 3h9m s ILE 114 Cb -0.04 -4.43 -0.01 0.00 -1.58 0.00 0.00 42.46 36.40 3h9m s ILE 114 CO 0.00 -1.01 1.15 -2.16 -1.23 0.00 0.00 174.94 171.69 3h9m s PRO 115 N 2.91 2.83 0.02 2.79 0.04 -1.26 -1.08 135.00 141.25 3h9m s PRO 115 Ca 0.16 1.60 -0.17 0.00 0.04 0.00 0.00 61.00 62.62 3h9m s PRO 115 Cb -0.20 -1.94 -0.33 0.00 0.04 0.00 0.00 34.50 32.07 3h9m s PRO 115 CO 0.10 -1.26 1.00 1.49 0.04 0.00 0.00 177.00 178.37 3h9m h GLU 116 N 0.40 0.50 -5.23 4.56 4.81 -1.18 -3.42 114.58 115.02 3h9m h GLU 116 Ca -0.48 -0.80 -0.61 0.00 -0.13 0.00 0.00 59.36 57.34 3h9m h GLU 116 Cb 1.27 0.29 -0.32 0.00 0.63 0.00 0.00 28.75 30.61 3h9m h GLU 116 CO 0.54 1.37 -0.85 -1.01 -0.73 0.00 0.00 179.01 178.33 3h9m s HIS 117 N -2.67 2.03 -0.15 0.92 3.76 -0.51 -3.53 115.29 115.14 3h9m s HIS 117 Ca -0.10 -0.72 -0.01 0.00 -0.15 0.00 0.00 55.06 54.08 3h9m s HIS 117 Cb 0.04 -1.38 0.04 0.00 1.11 0.00 0.00 32.58 32.39 3h9m s HIS 117 CO 0.91 -0.28 -0.04 0.08 -0.85 0.00 0.00 174.74 174.56 3h9m s VAL 118 N 0.26 0.96 -0.00 -0.90 1.01 -0.68 -1.25 120.40 119.80 3h9m s VAL 118 Ca -0.11 -0.48 0.06 0.00 0.00 0.00 0.00 61.98 61.44 3h9m s VAL 118 Cb -0.15 -1.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 3h9m s VAL 118 CO 0.05 0.15 -0.17 0.26 0.00 0.00 0.00 175.10 175.39 3h9m s TRP 119 N 1.71 2.60 -0.23 5.22 0.51 0.11 -0.56 118.94 128.29 3h9m s TRP 119 Ca 0.02 -0.23 -0.05 0.00 -2.12 0.00 0.00 56.10 53.72 3h9m s TRP 119 Cb -0.15 -1.54 -0.02 0.00 -0.81 0.00 0.00 33.47 30.96 3h9m s TRP 119 CO -0.08 0.20 0.01 -2.00 -0.51 0.00 0.00 176.95 174.57 3h9m s GLU 120 N -1.05 3.50 -0.18 4.98 2.12 0.70 -0.76 118.70 128.02 3h9m s GLU 120 Ca 0.13 -0.56 -0.24 0.00 0.36 0.00 0.00 54.97 54.66 3h9m s GLU 120 Cb -0.10 -3.14 -0.02 0.00 0.26 0.00 0.00 34.13 31.13 3h9m s GLU 120 CO 0.03 -0.18 0.78 0.42 -0.54 0.00 0.00 175.26 175.77 3h9m s ILE 121 N 1.50 4.91 0.31 -3.70 -1.09 0.41 -1.09 121.20 122.46 3h9m s ILE 121 Ca 0.06 1.53 0.10 0.00 -2.23 0.00 0.00 60.65 60.10 3h9m s ILE 121 Cb -0.15 -4.09 -0.05 0.00 -1.58 0.00 0.00 42.46 36.59 3h9m s ILE 121 CO -0.00 0.05 -0.08 -1.10 -1.23 0.00 0.00 174.94 172.57 3h9m s GLN 122 N 2.09 1.93 0.47 2.79 -0.21 0.13 -4.72 119.66 122.15 3h9m s GLN 122 Ca 0.36 -1.74 0.21 0.00 0.02 0.00 0.00 55.36 54.21 3h9m s GLN 122 Cb -0.16 -1.87 1.23 0.00 1.00 0.00 0.00 33.01 33.20 3h9m s GLN 122 CO 0.12 0.24 1.94 -1.35 -2.12 0.00 0.00 175.29 174.11 3h9m h PRO 123 N 2.02 0.22 -0.12 2.91 0.11 -2.00 -2.92 132.00 132.21 3h9m h PRO 123 Ca -0.42 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3h9m h PRO 123 Cb 1.25 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3h9m h PRO 123 CO 0.64 0.14 0.00 -0.25 -0.21 0.00 0.00 178.00 178.32 3h9m n ASP 124 N -4.42 2.17 0.00 -2.05 8.00 -1.26 -4.22 116.55 114.77 3h9m n ASP 124 Ca 0.14 -1.64 0.00 0.00 0.71 0.00 0.00 54.79 54.00 3h9m n ASP 124 Cb 0.63 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.65 3h9m n ASP 124 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h9m n GLY 125 N 0.44 -1.72 3.22 0.44 0.00 -1.10 -1.23 105.19 105.23 3h9m n GLY 125 Ca 0.07 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.64 3h9m n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h9m s ILE 126 N -2.15 2.87 -0.28 -0.61 -1.09 0.25 -0.69 121.20 119.50 3h9m s ILE 126 Ca 0.00 -0.80 -0.17 0.00 -2.23 0.00 0.00 60.65 57.45 3h9m s ILE 126 Cb 0.00 -2.34 -0.03 0.00 -1.58 0.00 0.00 42.46 38.51 3h9m s ILE 126 CO 0.00 0.37 0.46 -0.22 -1.23 0.00 0.00 174.94 174.32 3h9m s LEU 127 N 1.38 4.10 -0.40 2.97 2.96 -0.25 -0.68 118.68 128.76 3h9m s LEU 127 Ca 0.03 0.34 -0.18 0.00 -0.22 0.00 0.00 54.13 54.10 3h9m s LEU 127 Cb -0.15 -2.56 0.01 0.00 0.50 0.00 0.00 46.19 43.99 3h9m s LEU 127 CO -0.06 -0.29 0.51 -0.63 -1.32 0.00 0.00 176.35 174.56 3h9m s ILE 128 N 2.24 5.01 -0.01 6.68 1.01 0.11 -0.21 121.20 136.02 3h9m s ILE 128 Ca 0.18 0.02 0.04 0.00 0.00 0.00 0.00 60.65 60.89 3h9m s ILE 128 Cb -0.16 -4.04 -0.25 0.00 0.01 0.00 0.00 42.46 38.03 3h9m s ILE 128 CO 0.10 -0.38 0.79 0.45 0.00 0.00 0.00 174.94 175.91 3h9m h HIS 129 N 8.66 0.22 -3.00 3.97 3.86 -1.14 -3.34 115.15 124.38 3h9m h HIS 129 Ca -0.27 -0.16 -0.14 0.00 -1.16 0.00 0.00 60.37 58.64 3h9m h HIS 129 Cb 1.11 -0.01 -0.23 0.00 1.06 0.00 0.00 27.41 29.34 3h9m h HIS 129 CO 0.68 1.23 -0.33 0.21 0.86 0.00 0.00 177.93 180.59 3h9m s LYS 130 N -2.62 0.46 0.00 2.45 2.20 -0.95 -4.93 119.74 116.35 3h9m s LYS 130 Ca -0.08 0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.76 3h9m s LYS 130 Cb 0.08 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.61 3h9m s LYS 130 CO 0.83 -0.09 0.00 0.41 -0.36 0.00 0.00 175.35 176.14 3h9m n GLY 131 N 2.38 0.71 2.77 5.54 0.00 -1.23 -1.68 105.19 113.68 3h9m n GLY 131 Ca -0.16 -1.83 -0.33 0.00 0.00 0.00 0.00 46.02 43.70 3h9m n GLY 131 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3h9m n SER 132 N -0.59 5.81 -1.22 1.61 7.64 -1.26 -4.85 113.62 120.75 3h9m n SER 132 Ca 0.00 -3.71 0.07 0.00 1.01 0.00 0.00 58.87 56.23 3h9m n SER 132 Cb 0.00 -0.80 0.26 0.00 -1.01 0.00 0.00 64.21 62.66 3h9m n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h9m n GLY 133 N -0.26 1.99 0.29 0.23 0.00 -1.26 -4.46 105.19 101.71 3h9m n GLY 133 Ca 0.40 -0.61 0.09 0.00 0.00 0.00 0.00 46.02 45.89 3h9m n GLY 133 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3h9m h SER 134 N 2.98 -0.11 0.36 1.61 0.02 -1.98 0.78 113.55 117.20 3h9m h SER 134 Ca 0.00 0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 3h9m h SER 134 Cb 1.11 0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.92 3h9m h SER 134 CO 0.17 -0.13 -0.23 0.77 -1.14 0.00 0.00 176.83 176.26 3h9m h SER 135 N 0.19 0.00 -0.14 3.07 4.64 -2.00 -2.21 113.55 117.09 3h9m h SER 135 Ca 0.47 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.64 3h9m h SER 135 Cb 0.89 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 3h9m h SER 135 CO -0.63 0.23 -0.46 -0.07 -0.87 0.00 0.00 176.83 175.03 3h9m h LEU 136 N 0.00 0.76 -0.54 5.97 3.38 -1.18 -0.25 115.31 123.45 3h9m h LEU 136 Ca -0.00 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 57.64 3h9m h LEU 136 Cb 0.48 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3h9m h LEU 136 CO 0.03 1.11 0.29 0.58 0.09 0.00 0.00 178.44 180.54 3h9m h VAL 137 N 0.56 0.98 -0.53 1.22 2.07 -0.94 -0.59 116.25 119.02 3h9m h VAL 137 Ca 0.03 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 3h9m h VAL 137 Cb 1.02 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3h9m h VAL 137 CO 0.10 0.10 0.27 0.74 0.02 0.00 0.00 177.57 178.80 3h9m h THR 138 N 0.56 1.19 -0.57 2.57 2.02 -1.19 0.70 112.91 118.18 3h9m h THR 138 Ca 0.23 -0.52 0.05 0.00 0.77 0.00 0.00 66.41 66.94 3h9m h THR 138 Cb 0.12 0.57 -0.05 0.00 -1.74 0.00 0.00 68.15 67.05 3h9m h THR 138 CO -0.15 0.21 0.30 -0.33 0.37 0.00 0.00 175.52 175.93 3h9m h GLU 139 N 0.70 0.56 -0.29 6.66 5.08 -0.59 -1.64 114.58 125.06 3h9m h GLU 139 Ca 0.18 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 3h9m h GLU 139 Cb 0.09 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3h9m h GLU 139 CO -0.03 0.37 0.02 0.82 -1.00 0.00 0.00 179.01 179.20 3h9m h ILE 140 N 0.58 1.25 -0.97 3.13 2.04 -0.77 0.15 117.51 122.92 3h9m h ILE 140 Ca 0.25 -0.87 0.17 0.00 1.00 0.00 0.00 64.86 65.41 3h9m h ILE 140 Cb 0.15 1.25 -0.10 0.00 -0.74 0.00 0.00 36.82 37.38 3h9m h ILE 140 CO -0.17 0.28 0.57 1.56 0.00 0.00 0.00 178.15 180.39 3h9m h GLN 141 N 0.31 0.73 -0.02 2.37 4.20 -0.49 -2.51 115.11 119.69 3h9m h GLN 141 Ca 0.09 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3h9m h GLN 141 Cb 0.39 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.01 3h9m h GLN 141 CO 0.01 0.48 -0.13 0.72 -0.67 0.00 0.00 178.83 179.24 3h9m n HIS 142 N -4.78 0.00 0.00 2.96 8.25 -0.65 -5.10 115.22 115.90 3h9m n HIS 142 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 3h9m n HIS 142 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 3h9m n HIS 142 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3h9m n ALA 143 N 0.88 0.00 0.00 -1.41 0.00 0.51 -5.06 120.51 115.42 3h9m n ALA 143 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 3h9m n ALA 143 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3h9m n ALA 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3h9m n GLN 151 N 0.00 0.00 -2.63 0.00 1.13 -1.26 -5.03 117.38 109.59 3h9m n GLN 151 Ca 0.00 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 54.74 3h9m n GLN 151 Cb 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 30.24 30.30 3h9m n GLN 151 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 3h9m s SER 152 N 0.00 6.77 0.66 1.08 0.01 -1.26 -5.06 113.70 115.90 3h9m s SER 152 Ca 0.00 1.61 -0.13 0.00 1.31 0.00 0.00 55.95 58.74 3h9m s SER 152 Cb 0.00 -2.52 -0.01 0.00 0.21 0.00 0.00 66.02 63.71 3h9m s SER 152 CO 0.00 -0.47 1.06 -1.81 0.41 0.00 0.00 173.24 172.44 3h9m s ASP 153 N -2.63 5.49 -0.08 2.44 1.01 -1.26 -4.95 116.67 116.69 3h9m s ASP 153 Ca 0.60 1.72 0.00 0.00 0.71 0.00 0.00 52.55 55.58 3h9m s ASP 153 Cb -0.09 -2.51 0.02 0.00 1.01 0.00 0.00 42.92 41.34 3h9m s ASP 153 CO 0.22 -1.37 -0.06 -0.63 0.21 0.00 0.00 175.17 173.55 3h9m s ILE 154 N -2.78 0.80 0.02 0.77 1.01 -1.20 -5.06 121.20 114.76 3h9m s ILE 154 Ca 0.61 -0.20 -0.28 0.00 0.00 0.00 0.00 60.65 60.77 3h9m s ILE 154 Cb -0.15 -0.83 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 3h9m s ILE 154 CO 0.47 0.31 0.90 0.12 0.00 0.00 0.00 174.94 176.74 3h9m s PHE 155 N 1.39 3.69 -0.21 3.97 5.36 -1.26 -4.75 117.98 126.17 3h9m s PHE 155 Ca -0.02 1.61 -0.07 0.00 -0.96 0.00 0.00 56.93 57.49 3h9m s PHE 155 Cb -0.13 -3.01 -0.03 0.00 -0.34 0.00 0.00 43.02 39.50 3h9m s PHE 155 CO -0.03 0.09 0.06 0.08 -1.46 0.00 0.00 175.22 173.96 3h9m s VAL 156 N 0.60 4.49 -0.12 3.12 1.01 -1.26 -4.57 120.40 123.68 3h9m s VAL 156 Ca 0.47 -0.12 -0.22 0.00 0.00 0.00 0.00 61.98 62.10 3h9m s VAL 156 Cb -0.21 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 3h9m s VAL 156 CO 0.26 0.40 0.65 -0.75 0.00 0.00 0.00 175.10 175.65 3h9m s LYS 157 N 1.00 4.35 -0.53 2.72 2.20 0.74 -4.92 119.74 125.29 3h9m s LYS 157 Ca 0.04 0.73 -0.27 0.00 -0.36 0.00 0.00 55.97 56.11 3h9m s LYS 157 Cb -0.14 -3.49 0.03 0.00 -1.51 0.00 0.00 37.83 32.72 3h9m s LYS 157 CO 0.03 -0.03 1.08 -1.14 -0.36 0.00 0.00 175.35 174.93 3h9m s GLN 158 N 1.15 3.52 0.24 4.03 0.74 -1.26 -1.80 119.66 126.28 3h9m s GLN 158 Ca 0.33 0.19 -0.01 0.00 0.05 0.00 0.00 55.36 55.91 3h9m s GLN 158 Cb -0.17 -3.99 0.27 0.00 1.10 0.00 0.00 33.01 30.22 3h9m s GLN 158 CO 0.14 -1.50 1.65 0.28 -0.55 0.00 0.00 175.29 175.31 3h9m h VAL 159 N 6.13 1.28 -3.62 1.34 2.07 -1.85 -3.41 116.25 118.19 3h9m h VAL 159 Ca -0.25 -1.38 -0.68 0.00 0.82 0.00 0.00 66.70 65.21 3h9m h VAL 159 Cb 1.06 1.36 -0.24 0.00 -1.52 0.00 0.00 31.29 31.94 3h9m h VAL 159 CO 1.12 0.45 -0.59 -0.69 0.02 0.00 0.00 177.57 177.88 3h9m s VAL 160 N -4.46 4.27 0.90 2.57 1.01 -1.26 -5.06 120.40 118.37 3h9m s VAL 160 Ca -0.08 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.21 3h9m s VAL 160 Cb 0.13 -3.20 0.13 0.00 0.00 0.00 0.00 36.38 33.45 3h9m s VAL 160 CO 0.82 0.06 1.09 -0.94 0.00 0.00 0.00 175.10 176.13 3h9m s SER 161 N 1.55 3.34 0.23 3.32 1.04 -1.26 -4.75 113.70 117.17 3h9m s SER 161 Ca 0.03 1.60 -0.07 0.00 0.48 0.00 0.00 55.95 58.00 3h9m s SER 161 Cb -0.17 -2.26 0.25 0.00 0.10 0.00 0.00 66.02 63.94 3h9m s SER 161 CO 0.04 -2.74 1.89 0.50 0.98 0.00 0.00 173.24 173.91 3h9m h LYS 162 N -1.62 1.10 -0.47 4.02 3.64 -1.98 0.21 116.57 121.47 3h9m h LYS 162 Ca -0.49 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 58.84 3h9m h LYS 162 Cb 1.28 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 3h9m h LYS 162 CO 0.52 0.73 0.29 0.93 -2.27 0.00 0.00 179.45 179.65 3h9m h GLU 163 N 1.13 0.56 -0.69 1.90 5.08 -1.99 -0.47 114.58 120.10 3h9m h GLU 163 Ca 0.34 -0.03 -0.07 0.00 -1.00 0.00 0.00 59.36 58.60 3h9m h GLU 163 Cb -0.04 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 3h9m h GLU 163 CO -0.10 0.37 0.14 0.77 -1.00 0.00 0.00 179.01 179.18 3h9m h SER 164 N 0.58 1.07 -0.27 1.42 0.02 -1.76 -1.38 113.55 113.22 3h9m h SER 164 Ca 0.18 -0.25 0.02 0.00 -0.84 0.00 0.00 61.79 60.91 3h9m h SER 164 Cb -0.00 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 3h9m h SER 164 CO -0.07 1.04 0.13 0.22 -1.14 0.00 0.00 176.83 177.01 3h9m h TYR 165 N 1.05 0.23 -0.50 3.45 3.20 -0.27 -1.51 116.97 122.62 3h9m h TYR 165 Ca 0.21 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.03 3h9m h TYR 165 Cb 0.41 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 3h9m h TYR 165 CO 0.03 0.13 0.07 0.74 -1.64 0.00 0.00 178.16 177.48 3h9m h PHE 166 N 0.27 0.84 -0.37 -3.82 -1.00 -0.86 0.17 116.94 112.16 3h9m h PHE 166 Ca 0.11 -0.09 -0.02 0.00 2.81 0.00 0.00 57.97 60.78 3h9m h PHE 166 Cb 0.04 -0.24 -0.02 0.00 3.61 0.00 0.00 35.95 39.35 3h9m h PHE 166 CO -0.10 0.74 0.17 -0.91 -1.61 0.00 0.00 178.31 176.59 3h9m h ASN 167 N 0.76 0.49 -0.40 2.17 2.35 -1.04 -0.66 115.58 119.26 3h9m h ASN 167 Ca 0.16 -0.14 -0.05 0.00 -0.55 0.00 0.00 56.30 55.72 3h9m h ASN 167 Cb 0.37 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 3h9m h ASN 167 CO 0.01 0.49 0.06 0.00 -1.65 0.00 0.00 177.43 176.34 3h9m h ALA 168 N 1.02 0.53 -0.55 -0.83 0.00 -0.95 -1.31 119.26 117.17 3h9m h ALA 168 Ca 0.13 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.87 3h9m h ALA 168 Cb 0.14 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 3h9m h ALA 168 CO -0.01 0.24 0.27 0.35 0.00 0.00 0.00 179.25 180.10 3h9m h PHE 169 N 0.50 0.50 -0.64 0.00 3.57 -0.58 -0.67 116.94 119.63 3h9m h PHE 169 Ca 0.12 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 3h9m h PHE 169 Cb 0.37 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.94 3h9m h PHE 169 CO 0.03 0.23 0.20 -0.44 -2.23 0.00 0.00 178.31 176.10 3h9m h ASP 170 N 0.52 0.94 -0.59 0.41 3.32 -0.90 -0.24 116.42 119.88 3h9m h ASP 170 Ca 0.25 -0.21 0.04 0.00 0.02 0.00 0.00 57.03 57.13 3h9m h ASP 170 Cb 0.17 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.43 3h9m h ASP 170 CO -0.18 0.89 0.33 -0.33 -1.72 0.00 0.00 179.24 178.24 3h9m h GLU 171 N 0.93 0.62 -0.65 3.56 5.08 -0.69 -0.73 114.58 122.70 3h9m h GLU 171 Ca 0.21 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 3h9m h GLU 171 Cb 0.29 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3h9m h GLU 171 CO -0.01 0.41 0.08 -0.07 -1.00 0.00 0.00 179.01 178.42 3h9m h LEU 172 N 0.64 1.06 -1.22 1.33 3.38 -0.73 -1.96 115.31 117.81 3h9m h LEU 172 Ca 0.25 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 3h9m h LEU 172 Cb 0.11 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3h9m h LEU 172 CO -0.14 1.06 -0.15 1.56 0.09 0.00 0.00 178.44 180.86 3h9m h GLN 173 N 1.01 0.36 -0.42 1.13 1.08 -0.62 -1.46 115.11 116.18 3h9m h GLN 173 Ca 0.19 -0.10 -0.14 0.00 -1.45 0.00 0.00 58.65 57.16 3h9m h GLN 173 Cb 0.48 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 3h9m h GLN 173 CO 0.02 0.51 -0.28 1.96 -0.95 0.00 0.00 178.83 180.09 3h9m h GLN 174 N 0.33 0.91 -0.51 1.46 1.08 -0.86 0.29 115.11 117.82 3h9m h GLN 174 Ca 0.06 -0.42 0.01 0.00 -1.45 0.00 0.00 58.65 56.86 3h9m h GLN 174 Cb 0.47 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.85 3h9m h GLN 174 CO 0.03 1.07 0.32 0.82 -0.95 0.00 0.00 178.83 180.12 3h9m h ILE 175 N 0.77 1.09 -0.23 2.54 2.04 -0.96 -1.11 117.51 121.65 3h9m h ILE 175 Ca 0.09 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 3h9m h ILE 175 Cb 0.85 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 3h9m h ILE 175 CO 0.07 0.12 0.08 0.40 0.00 0.00 0.00 178.15 178.82 3h9m h ILE 176 N 0.65 1.19 0.00 -0.67 2.04 -1.10 -1.55 117.51 118.06 3h9m h ILE 176 Ca 0.20 -0.58 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 3h9m h ILE 176 Cb -0.03 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.18 3h9m h ILE 176 CO -0.07 0.19 -0.05 0.00 0.00 0.00 0.00 178.15 178.22 3h9m h ALA 177 N 0.91 1.61 -0.00 1.87 0.00 -0.17 -0.87 119.26 122.60 3h9m h ALA 177 Ca 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3h9m h ALA 177 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3h9m h ALA 177 CO -0.00 0.06 -0.12 1.04 0.00 0.00 0.00 179.25 180.23 3h9m n GLN 178 N -4.03 0.19 -1.61 0.00 6.02 -0.44 -4.94 117.38 112.58 3h9m n GLN 178 Ca -0.03 -0.04 -0.02 0.00 -0.01 0.00 0.00 57.00 56.90 3h9m n GLN 178 Cb 0.13 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.89 3h9m n GLN 178 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h9m n GLY 179 N 1.43 0.39 0.01 1.08 0.00 -0.33 -4.96 105.19 102.81 3h9m n GLY 179 Ca 0.09 -0.91 0.11 0.00 0.00 0.00 0.00 46.02 45.31 3h9m n GLY 179 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h9m n ASP 180 N 1.72 0.85 -3.48 1.61 8.00 -0.60 -4.96 116.55 119.70 3h9m n ASP 180 Ca -0.02 -0.76 -0.11 0.00 0.71 0.00 0.00 54.79 54.61 3h9m n ASP 180 Cb 0.32 0.74 -0.02 0.00 -0.02 0.00 0.00 41.12 42.13 3h9m n ASP 180 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h9m s ALA 181 N -2.99 -1.48 0.00 2.24 0.00 -1.23 -4.53 121.76 113.77 3h9m s ALA 181 Ca 0.09 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.41 3h9m s ALA 181 Cb 0.17 0.86 0.00 0.00 0.00 0.00 0.00 23.12 24.15 3h9m s ALA 181 CO 0.81 -0.77 0.00 2.48 0.00 0.00 0.00 175.76 178.28 3h9m n TYR 182 N -0.36 0.00 -3.70 0.00 0.18 -0.52 -4.23 117.16 108.53 3h9m n TYR 182 Ca -0.16 0.00 -0.11 0.00 1.88 0.00 0.00 57.90 59.51 3h9m n TYR 182 Cb 0.64 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.50 3h9m n TYR 182 CO 0.00 0.00 0.00 -2.00 -2.08 0.00 0.00 176.86 172.78 3h9m s GLU 183 N -0.82 0.48 -0.03 -3.48 -6.30 -1.21 -4.55 118.70 102.79 3h9m s GLU 183 Ca 0.00 0.78 -0.01 0.00 -2.50 0.00 0.00 54.97 53.24 3h9m s GLU 183 Cb 0.00 0.10 0.03 0.00 0.00 0.00 0.00 34.13 34.26 3h9m s GLU 183 CO 0.00 -0.12 0.05 0.42 0.02 0.00 0.00 175.26 175.62 3h9m s ILE 184 N 1.00 -0.08 -0.56 -3.70 1.01 -0.43 -1.70 121.20 116.74 3h9m s ILE 184 Ca -0.06 0.29 -0.22 0.00 0.00 0.00 0.00 60.65 60.65 3h9m s ILE 184 Cb -0.06 -0.11 0.05 0.00 0.01 0.00 0.00 42.46 42.35 3h9m s ILE 184 CO -0.09 0.12 0.85 0.21 0.00 0.00 0.00 174.94 176.04 3h9m s ASN 185 N 1.45 6.27 -0.23 3.58 3.84 -0.14 0.16 114.94 129.87 3h9m s ASN 185 Ca -0.04 -0.66 -0.08 0.00 0.21 0.00 0.00 52.86 52.28 3h9m s ASN 185 Cb -0.13 -2.39 -0.04 0.00 -0.55 0.00 0.00 41.25 38.15 3h9m s ASN 185 CO -0.03 -1.18 0.10 -0.47 -2.79 0.00 0.00 177.10 172.73 3h9m s TYR 186 N 3.58 3.19 0.12 0.43 5.04 -0.74 -4.78 117.35 124.19 3h9m s TYR 186 Ca 0.24 -0.09 0.11 0.00 -2.44 0.00 0.00 57.07 54.89 3h9m s TYR 186 Cb -0.16 -2.21 -0.04 0.00 0.35 0.00 0.00 41.96 39.90 3h9m s TYR 186 CO 0.15 -0.11 -0.26 0.00 -1.34 0.00 0.00 175.55 173.99 3h9m s ILE 188 N -1.05 1.30 0.32 0.00 -4.36 -0.26 -4.74 121.20 112.40 3h9m s ILE 188 Ca 0.13 -0.70 -0.05 0.00 -0.26 0.00 0.00 60.65 59.77 3h9m s ILE 188 Cb -0.10 -1.08 -0.05 0.00 1.25 0.00 0.00 42.46 42.48 3h9m s ILE 188 CO 0.06 0.37 0.60 -2.16 0.24 0.00 0.00 174.94 174.04 3h9m s PRO 189 N -0.35 3.63 -0.02 0.37 0.04 -1.26 -2.34 135.00 135.06 3h9m s PRO 189 Ca 0.06 0.05 0.01 0.00 0.04 0.00 0.00 61.00 61.16 3h9m s PRO 189 Cb -0.07 -2.60 0.01 0.00 0.04 0.00 0.00 34.50 31.89 3h9m s PRO 189 CO -0.00 0.15 -0.05 -0.06 0.04 0.00 0.00 177.00 177.08 3h9m s PHE 190 N -2.18 0.61 0.13 0.56 0.08 -1.26 -2.27 117.98 113.66 3h9m s PHE 190 Ca 0.45 -0.14 0.05 0.00 0.12 0.00 0.00 56.93 57.41 3h9m s PHE 190 Cb -0.11 -0.49 -0.04 0.00 -0.57 0.00 0.00 43.02 41.81 3h9m s PHE 190 CO 0.31 -0.10 -0.12 0.95 -0.10 0.00 0.00 175.22 176.17 3h9m s THR 191 N 0.40 1.21 0.18 0.64 -4.23 -0.74 -4.34 115.64 108.76 3h9m s THR 191 Ca -0.05 -1.88 -0.16 0.00 -1.18 0.00 0.00 61.69 58.42 3h9m s THR 191 Cb -0.09 -1.67 0.02 0.00 1.34 0.00 0.00 72.50 72.11 3h9m s THR 191 CO -0.00 -0.60 0.47 0.00 -0.54 0.00 0.00 174.62 173.95 3h9m s ALA 192 N -2.76 -0.80 -0.07 3.99 0.00 -0.68 -0.19 121.76 121.24 3h9m s ALA 192 Ca 0.12 -0.29 0.04 0.00 0.00 0.00 0.00 51.96 51.83 3h9m s ALA 192 Cb -0.01 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.94 3h9m s ALA 192 CO 0.02 -0.76 -0.18 0.15 0.00 0.00 0.00 175.76 174.99 3h9m s LYS 193 N -3.88 2.26 0.00 0.00 3.01 -1.26 -0.83 119.74 119.04 3h9m s LYS 193 Ca 0.09 -0.66 0.00 0.00 -1.01 0.00 0.00 55.97 54.40 3h9m s LYS 193 Cb 0.00 -1.81 0.00 0.00 -1.01 0.00 0.00 37.83 35.01 3h9m s LYS 193 CO -0.04 0.15 0.00 0.41 0.51 0.00 0.00 175.35 176.38 3h9m n GLY 194 N 3.50 -1.86 3.40 -3.33 0.00 -0.40 -4.84 105.19 101.67 3h9m n GLY 194 Ca -0.20 -1.16 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 3h9m n GLY 194 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3h9m s ASN 195 N -1.98 3.90 0.16 1.61 2.47 -1.26 -4.37 114.94 115.46 3h9m s ASN 195 Ca 0.00 -0.29 0.04 0.00 0.42 0.00 0.00 52.86 53.03 3h9m s ASN 195 Cb 0.00 -1.18 -0.05 0.00 -1.45 0.00 0.00 41.25 38.57 3h9m s ASN 195 CO 0.00 0.25 -0.08 0.27 -3.72 0.00 0.00 177.10 173.82 3h9m s ILE 196 N -0.19 1.10 -0.55 -5.21 -4.36 -1.26 -4.71 121.20 106.03 3h9m s ILE 196 Ca -0.00 -2.05 -0.21 0.00 -0.26 0.00 0.00 60.65 58.13 3h9m s ILE 196 Cb -0.13 -1.91 0.06 0.00 1.25 0.00 0.00 42.46 41.73 3h9m s ILE 196 CO 0.03 -0.69 0.75 -0.55 0.24 0.00 0.00 174.94 174.72 3h9m s SER 197 N -3.18 6.24 0.13 4.36 0.15 -1.26 -5.00 113.70 115.15 3h9m s SER 197 Ca 0.18 -0.87 -0.18 0.00 0.70 0.00 0.00 55.95 55.78 3h9m s SER 197 Cb 0.03 -2.34 -0.03 0.00 -1.71 0.00 0.00 66.02 61.97 3h9m s SER 197 CO 0.01 -1.07 1.77 -0.65 1.20 0.00 0.00 173.24 174.50 3h9m h PRO 198 N 9.16 0.41 -0.75 5.44 0.11 -1.98 -0.51 132.00 143.87 3h9m h PRO 198 Ca -0.28 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.77 3h9m h PRO 198 Cb 1.09 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 3h9m h PRO 198 CO 1.04 0.30 0.35 0.00 -0.21 0.00 0.00 178.00 179.48 3h9m h ALA 199 N 1.08 1.19 -0.63 -0.75 0.00 -1.94 0.17 119.26 118.39 3h9m h ALA 199 Ca 0.11 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3h9m h ALA 199 Cb -0.00 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3h9m h ALA 199 CO -0.02 0.61 0.06 0.00 0.00 0.00 0.00 179.25 179.90 3h9m h ALA 200 N 1.30 0.92 -0.43 0.00 0.00 -1.93 -1.24 119.26 117.89 3h9m h ALA 200 Ca 0.26 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 3h9m h ALA 200 Cb 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3h9m h ALA 200 CO -0.03 0.66 -0.23 1.15 0.00 0.00 0.00 179.25 180.80 3h9m h THR 201 N 0.98 1.28 -0.69 0.00 2.02 -0.48 -2.13 112.91 113.89 3h9m h THR 201 Ca 0.19 -1.38 0.07 0.00 0.77 0.00 0.00 66.41 66.06 3h9m h THR 201 Cb 0.48 1.24 -0.06 0.00 -1.74 0.00 0.00 68.15 68.07 3h9m h THR 201 CO 0.02 0.47 0.38 0.22 0.37 0.00 0.00 175.52 176.97 3h9m h TYR 202 N 0.73 0.69 -0.62 3.16 3.20 -0.45 -1.08 116.97 122.60 3h9m h TYR 202 Ca 0.09 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 3h9m h TYR 202 Cb 0.80 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.83 3h9m h TYR 202 CO 0.06 0.31 0.36 1.96 -1.64 0.00 0.00 178.16 179.21 3h9m h GLN 203 N 0.68 0.84 -0.25 1.82 1.08 -0.91 0.23 115.11 118.59 3h9m h GLN 203 Ca 0.32 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.42 3h9m h GLN 203 Cb 0.23 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 3h9m h GLN 203 CO -0.20 0.62 0.11 0.00 -0.95 0.00 0.00 178.83 178.40 3h9m h ARG 204 N 0.83 0.38 -0.16 1.46 3.08 -1.05 -1.03 114.38 117.90 3h9m h ARG 204 Ca 0.22 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3h9m h ARG 204 Cb 0.00 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3h9m h ARG 204 CO -0.04 0.41 0.10 1.25 -1.07 0.00 0.00 179.97 180.62 3h9m h LEU 205 N 0.26 0.17 -0.52 3.04 5.85 -0.92 -2.30 115.31 120.89 3h9m h LEU 205 Ca 0.09 -0.00 -0.15 0.00 0.84 0.00 0.00 57.88 58.66 3h9m h LEU 205 Cb 0.17 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 3h9m h LEU 205 CO -0.01 0.13 -0.39 -1.13 -0.34 0.00 0.00 178.44 176.70 3h9m h ASN 206 N 0.21 0.82 -0.55 1.25 -1.24 -0.45 -0.83 115.58 114.78 3h9m h ASN 206 Ca 0.06 -0.37 -0.09 0.00 0.71 0.00 0.00 56.30 56.62 3h9m h ASN 206 Cb -0.02 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 38.78 3h9m h ASN 206 CO -0.02 1.11 0.03 0.11 -1.29 0.00 0.00 177.43 177.37 3h9m h LYS 207 N 0.63 0.99 -0.27 6.67 1.57 -1.17 -1.28 116.57 123.70 3h9m h LYS 207 Ca 0.05 -0.29 -0.15 0.00 -1.87 0.00 0.00 60.65 58.40 3h9m h LYS 207 Cb 0.94 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 3h9m h LYS 207 CO 0.09 0.96 -0.42 -0.22 -0.57 0.00 0.00 179.45 179.28 3h9m h LYS 208 N 0.91 0.77 -2.14 3.15 1.63 -1.16 -3.39 116.57 116.34 3h9m h LYS 208 Ca 0.17 -0.46 -0.57 0.00 -0.85 0.00 0.00 60.65 58.94 3h9m h LYS 208 Cb 0.50 0.04 -0.39 0.00 -0.60 0.00 0.00 32.23 31.78 3h9m h LYS 208 CO 0.02 1.09 -0.99 -2.37 -3.45 0.00 0.00 179.45 173.75 3h9m n THR 209 N -4.15 -0.30 -1.71 1.00 5.66 -0.34 -5.11 114.28 109.33 3h9m n THR 209 Ca -0.04 -4.09 -0.33 0.00 -3.05 0.00 0.00 64.05 56.54 3h9m n THR 209 Cb 0.55 -1.93 0.05 0.00 -1.55 0.00 0.00 70.33 67.46 3h9m n THR 209 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 3h9m s PRO 210 N -1.12 2.77 -0.01 1.09 0.04 -0.49 -4.68 135.00 132.60 3h9m s PRO 210 Ca 0.35 1.34 0.13 0.00 0.04 0.00 0.00 61.00 62.85 3h9m s PRO 210 Cb 0.13 -1.95 -0.16 0.00 0.04 0.00 0.00 34.50 32.56 3h9m s PRO 210 CO -0.12 -1.27 0.45 -0.35 0.04 0.00 0.00 177.00 175.75 3h9m n PRO 212 N -2.55 1.85 -1.76 0.56 -0.04 -1.25 -4.96 135.00 126.83 3h9m n PRO 212 Ca 0.10 -0.05 -0.08 0.00 -0.04 0.00 0.00 63.50 63.43 3h9m n PRO 212 Cb 0.52 -1.19 0.07 0.00 -0.04 0.00 0.00 33.50 32.87 3h9m n PRO 212 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3h9m n PHE 213 N -1.56 1.42 -2.32 0.54 3.72 -0.70 -2.41 117.46 116.15 3h9m n PHE 213 Ca 0.01 -1.82 -0.35 0.00 -0.05 0.00 0.00 57.45 55.24 3h9m n PHE 213 Cb 0.26 -0.27 -0.01 0.00 -0.94 0.00 0.00 39.48 38.52 3h9m n PHE 213 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3h9m s SER 214 N -3.36 5.88 -0.04 4.37 1.04 -1.15 -4.16 113.70 116.28 3h9m s SER 214 Ca 0.41 2.10 -0.03 0.00 0.48 0.00 0.00 55.95 58.91 3h9m s SER 214 Cb 0.38 -2.57 0.01 0.00 0.10 0.00 0.00 66.02 63.94 3h9m s SER 214 CO -0.03 -1.11 0.10 -0.69 0.98 0.00 0.00 173.24 172.49 3h9m s VAL 215 N -1.86 -0.01 -0.17 5.02 1.01 -0.71 -1.08 120.40 122.60 3h9m s VAL 215 Ca 0.71 0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.70 3h9m s VAL 215 Cb -0.22 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.00 3h9m s VAL 215 CO 0.26 0.02 -0.07 -0.47 0.00 0.00 0.00 175.10 174.83 3h9m s TYR 216 N 0.28 2.93 -0.00 5.22 5.04 -0.45 -0.73 117.35 129.63 3h9m s TYR 216 Ca -0.02 -0.63 0.01 0.00 -2.44 0.00 0.00 57.07 53.99 3h9m s TYR 216 Cb -0.03 -1.98 -0.00 0.00 0.35 0.00 0.00 41.96 40.30 3h9m s TYR 216 CO -0.01 -0.27 -0.03 -0.47 -1.34 0.00 0.00 175.55 173.42 3h9m s TYR 217 N 0.77 0.30 -0.05 4.97 5.04 -0.32 -0.32 117.35 127.74 3h9m s TYR 217 Ca -0.03 -0.06 0.02 0.00 -2.44 0.00 0.00 57.07 54.56 3h9m s TYR 217 Cb -0.15 -0.19 0.02 0.00 0.35 0.00 0.00 41.96 41.99 3h9m s TYR 217 CO 0.02 -0.01 -0.07 0.21 -1.34 0.00 0.00 175.55 174.36 3h9m s LYS 218 N -0.08 1.06 -0.24 4.97 2.20 -0.06 -1.51 119.74 126.07 3h9m s LYS 218 Ca 0.01 -0.20 -0.04 0.00 -0.36 0.00 0.00 55.97 55.38 3h9m s LYS 218 Cb -0.01 -0.97 0.09 0.00 -1.51 0.00 0.00 37.83 35.42 3h9m s LYS 218 CO -0.00 -0.03 0.12 0.12 -0.36 0.00 0.00 175.35 175.20 3h9m s PHE 219 N 0.75 0.23 0.00 4.03 5.36 0.18 -1.07 117.98 127.45 3h9m s PHE 219 Ca -0.12 -0.61 0.00 0.00 -0.96 0.00 0.00 56.93 55.24 3h9m s PHE 219 Cb -0.14 -0.79 0.00 0.00 -0.34 0.00 0.00 43.02 41.75 3h9m s PHE 219 CO 0.01 -0.71 0.00 0.09 -1.46 0.00 0.00 175.22 173.15 3h9m n ASN 220 N 5.27 0.00 -0.68 6.13 3.02 0.42 -1.35 115.26 128.06 3h9m n ASN 220 Ca -0.06 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.55 3h9m n ASN 220 Cb 0.45 0.00 0.17 0.00 -0.61 0.00 0.00 39.78 39.79 3h9m n ASN 220 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3h9m n THR 221 N 0.00 1.08 -3.97 3.41 -2.24 -1.26 -4.94 114.28 106.36 3h9m n THR 221 Ca 0.00 -1.05 -0.35 0.00 -2.27 0.00 0.00 64.05 60.38 3h9m n THR 221 Cb 0.00 0.45 -0.09 0.00 -2.10 0.00 0.00 70.33 68.59 3h9m n THR 221 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3h9m s GLU 222 N -1.12 3.99 0.03 -0.78 2.02 -0.46 -1.30 118.70 121.09 3h9m s GLU 222 Ca 0.25 -0.32 0.06 0.00 0.02 0.00 0.00 54.97 54.97 3h9m s GLU 222 Cb 0.14 -3.24 -0.02 0.00 0.10 0.00 0.00 34.13 31.11 3h9m s GLU 222 CO 0.16 0.29 -0.16 0.71 0.02 0.00 0.00 175.26 176.27 3h9m s TYR 223 N 0.33 1.45 -0.13 1.61 2.02 0.39 -0.65 117.35 122.37 3h9m s TYR 223 Ca 0.04 -0.33 0.01 0.00 -0.37 0.00 0.00 57.07 56.42 3h9m s TYR 223 Cb -0.12 -0.88 0.02 0.00 -0.40 0.00 0.00 41.96 40.58 3h9m s TYR 223 CO -0.00 0.04 -0.16 0.42 -1.57 0.00 0.00 175.55 174.28 3h9m s ILE 224 N -0.70 1.62 -0.34 2.71 1.01 -0.57 -1.57 121.20 123.36 3h9m s ILE 224 Ca 0.05 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 60.05 3h9m s ILE 224 Cb -0.08 -1.49 0.10 0.00 0.01 0.00 0.00 42.46 41.01 3h9m s ILE 224 CO 0.01 0.47 0.05 -0.76 0.00 0.00 0.00 174.94 174.70 3h9m s LEU 225 N 1.19 4.72 -0.10 2.97 1.43 -0.00 -1.17 118.68 127.71 3h9m s LEU 225 Ca -0.01 -2.14 0.03 0.00 -1.03 0.00 0.00 54.13 50.98 3h9m s LEU 225 Cb -0.14 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 3h9m s LEU 225 CO -0.06 -0.38 -0.21 -0.55 0.23 0.00 0.00 176.35 175.39 3h9m s SER 226 N 0.91 3.40 -0.56 2.29 0.15 0.09 -0.61 113.70 119.37 3h9m s SER 226 Ca 0.11 -0.47 0.01 0.00 0.70 0.00 0.00 55.95 56.30 3h9m s SER 226 Cb -0.19 -1.38 0.44 0.00 -1.71 0.00 0.00 66.02 63.18 3h9m s SER 226 CO -0.08 0.18 1.72 0.00 1.20 0.00 0.00 173.24 176.26 3h9m n ALA 227 N 3.41 5.88 -1.95 5.45 0.00 -0.10 -1.73 120.51 131.47 3h9m n ALA 227 Ca -0.18 -3.70 -0.42 0.00 0.00 0.00 0.00 53.44 49.14 3h9m n ALA 227 Cb 0.53 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.67 3h9m n ALA 227 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3h9m s SER 228 N -2.39 6.60 0.00 0.00 0.15 -1.25 -4.80 113.70 112.01 3h9m s SER 228 Ca 0.58 2.59 0.20 0.00 0.70 0.00 0.00 55.95 60.02 3h9m s SER 228 Cb 0.46 -2.59 0.53 0.00 -1.71 0.00 0.00 66.02 62.71 3h9m s SER 228 CO -0.05 -0.81 1.44 -0.81 1.20 0.00 0.00 173.24 174.20 3h9m n PRO 229 N 4.00 2.24 -4.41 5.44 -0.04 -1.26 -1.73 135.00 139.25 3h9m n PRO 229 Ca 0.14 -1.90 -0.24 0.00 -0.04 0.00 0.00 63.50 61.46 3h9m n PRO 229 Cb 0.39 -1.45 -0.17 0.00 -0.04 0.00 0.00 33.50 32.23 3h9m n PRO 229 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3h9m s GLU 230 N -1.42 1.47 -0.07 0.54 2.12 -1.26 -4.74 118.70 115.33 3h9m s GLU 230 Ca 0.37 -0.32 -0.25 0.00 0.36 0.00 0.00 54.97 55.13 3h9m s GLU 230 Cb 0.20 -1.29 -0.03 0.00 0.26 0.00 0.00 34.13 33.27 3h9m s GLU 230 CO 0.27 -0.03 0.78 0.50 -0.54 0.00 0.00 175.26 176.24 3h9m s ARG 231 N 0.85 4.44 -0.06 4.30 3.52 -1.26 -1.11 118.95 129.63 3h9m s ARG 231 Ca -0.12 1.03 -0.01 0.00 -0.13 0.00 0.00 55.73 56.50 3h9m s ARG 231 Cb -0.15 -3.47 -0.00 0.00 -1.56 0.00 0.00 34.95 29.77 3h9m s ARG 231 CO 0.02 -0.02 0.05 0.35 -0.81 0.00 0.00 175.30 174.88 3h9m h PHE 232 N 6.86 -0.03 -2.11 5.12 3.57 -1.24 -3.16 116.94 125.95 3h9m h PHE 232 Ca -0.39 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.05 3h9m h PHE 232 Cb 1.19 0.01 -0.21 0.00 2.79 0.00 0.00 35.95 39.73 3h9m h PHE 232 CO 0.67 -0.02 0.08 -1.50 -2.23 0.00 0.00 178.31 175.31 3h9m s ILE 233 N -1.47 0.00 0.02 1.41 2.07 -1.05 -4.09 121.20 118.09 3h9m s ILE 233 Ca -0.00 -0.01 0.01 0.00 -1.41 0.00 0.00 60.65 59.24 3h9m s ILE 233 Cb 0.00 -0.94 -0.02 0.00 0.13 0.00 0.00 42.46 41.63 3h9m s ILE 233 CO 0.01 -0.00 -0.06 -0.75 -1.91 0.00 0.00 174.94 172.23 3h9m s LYS 234 N 0.14 0.43 -0.10 3.50 2.20 0.04 -1.23 119.74 124.72 3h9m s LYS 234 Ca -0.02 -0.55 0.01 0.00 -0.36 0.00 0.00 55.97 55.06 3h9m s LYS 234 Cb -0.04 -0.22 0.02 0.00 -1.51 0.00 0.00 37.83 36.08 3h9m s LYS 234 CO 0.02 0.04 -0.13 0.21 -0.36 0.00 0.00 175.35 175.13 3h9m s LYS 235 N -1.13 1.94 -0.26 4.03 2.20 -0.37 -1.15 119.74 125.00 3h9m s LYS 235 Ca -0.08 -0.45 -0.01 0.00 -0.36 0.00 0.00 55.97 55.06 3h9m s LYS 235 Cb -0.08 -1.71 0.08 0.00 -1.51 0.00 0.00 37.83 34.61 3h9m s LYS 235 CO -0.00 -0.10 0.06 0.99 -0.36 0.00 0.00 175.35 175.94 3h9m s THR 236 N 1.10 0.80 0.00 3.43 2.01 -0.22 -2.09 115.64 120.67 3h9m s THR 236 Ca -0.05 -1.05 0.00 0.00 0.31 0.00 0.00 61.69 60.90 3h9m s THR 236 Cb -0.14 -1.43 0.00 0.00 0.01 0.00 0.00 72.50 70.93 3h9m s THR 236 CO -0.02 -0.44 0.00 0.61 -0.69 0.00 0.00 174.62 174.08 3h9m n GLY 237 N 4.91 3.90 0.64 4.40 0.00 -1.26 -1.58 105.19 116.20 3h9m n GLY 237 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.09 3h9m n GLY 237 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h9m n ASP 238 N 7.07 1.97 -4.63 1.61 8.00 -1.26 -4.91 116.55 124.39 3h9m n ASP 238 Ca 0.00 -1.69 -0.36 0.00 0.71 0.00 0.00 54.79 53.45 3h9m n ASP 238 Cb 0.00 -0.06 -0.10 0.00 -0.02 0.00 0.00 41.12 40.94 3h9m n ASP 238 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3h9m s THR 239 N -1.88 5.04 -0.13 -3.53 2.01 -0.61 -1.11 115.64 115.43 3h9m s THR 239 Ca 0.35 0.06 -0.04 0.00 0.31 0.00 0.00 61.69 62.37 3h9m s THR 239 Cb 0.20 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 69.36 3h9m s THR 239 CO 0.30 0.40 0.02 -0.63 -0.69 0.00 0.00 174.62 174.02 3h9m s ILE 240 N 0.80 4.41 0.05 1.82 -1.09 -0.21 -1.05 121.20 125.93 3h9m s ILE 240 Ca 0.06 -0.19 0.04 0.00 -2.23 0.00 0.00 60.65 58.32 3h9m s ILE 240 Cb -0.13 -2.91 -0.03 0.00 -1.58 0.00 0.00 42.46 37.82 3h9m s ILE 240 CO 0.02 0.55 -0.11 0.27 -1.23 0.00 0.00 174.94 174.44 3h9m s ILE 241 N -0.31 0.81 0.00 2.92 -4.36 -0.30 -1.19 121.20 118.78 3h9m s ILE 241 Ca 0.07 -1.13 0.01 0.00 -0.26 0.00 0.00 60.65 59.34 3h9m s ILE 241 Cb -0.12 -0.82 -0.01 0.00 1.25 0.00 0.00 42.46 42.76 3h9m s ILE 241 CO 0.02 -0.27 -0.04 -0.55 0.24 0.00 0.00 174.94 174.34 3h9m s SER 242 N -1.56 0.42 -0.49 4.36 0.15 -0.18 -0.78 113.70 115.63 3h9m s SER 242 Ca -0.05 -0.15 0.06 0.00 0.70 0.00 0.00 55.95 56.50 3h9m s SER 242 Cb -0.10 -0.02 0.21 0.00 -1.71 0.00 0.00 66.02 64.40 3h9m s SER 242 CO 0.01 -0.02 0.48 0.00 1.20 0.00 0.00 173.24 174.92 3h9m n GLN 243 N 2.71 0.95 -1.76 5.44 6.02 -1.19 -0.72 117.38 128.82 3h9m n GLN 243 Ca -0.15 -3.62 -0.41 0.00 -0.01 0.00 0.00 57.00 52.82 3h9m n GLN 243 Cb 0.58 -1.71 0.01 0.00 1.02 0.00 0.00 30.24 30.14 3h9m n GLN 243 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3h9m n PRO 244 N 1.97 2.43 -4.24 -1.09 -0.04 -1.20 -4.39 135.00 128.43 3h9m n PRO 244 Ca 0.26 0.86 -0.32 0.00 -0.04 0.00 0.00 63.50 64.25 3h9m n PRO 244 Cb 0.46 -2.63 -0.09 0.00 -0.04 0.00 0.00 33.50 31.21 3h9m n PRO 244 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3h9m s ILE 245 N -1.16 4.12 0.00 0.52 1.01 -1.26 -1.97 121.20 122.47 3h9m s ILE 245 Ca 0.57 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 60.51 3h9m s ILE 245 Cb -0.47 -2.88 0.00 0.00 0.01 0.00 0.00 42.46 39.13 3h9m s ILE 245 CO 0.60 0.30 0.00 0.29 0.00 0.00 0.00 174.94 176.14 3h9m n LYS 246 N 1.15 0.00 0.00 2.79 4.76 -0.98 -5.01 118.16 120.87 3h9m n LYS 246 Ca -0.13 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.31 3h9m n LYS 246 Cb 0.52 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.71 3h9m n LYS 246 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h9m n GLY 266 N 0.00 0.14 2.01 0.72 0.00 -1.26 -4.69 105.19 102.11 3h9m n GLY 266 Ca 0.00 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 3h9m n GLY 266 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3h9m n THR 267 N 0.48 2.87 -1.95 2.61 5.66 -1.26 -4.78 114.28 117.91 3h9m n THR 267 Ca 0.00 -1.60 -0.42 0.00 -3.05 0.00 0.00 64.05 58.98 3h9m n THR 267 Cb 0.00 -0.43 -0.03 0.00 -1.55 0.00 0.00 70.33 68.32 3h9m n THR 267 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 3h9m s SER 268 N -0.98 6.60 0.30 1.09 0.15 -1.26 -4.92 113.70 114.68 3h9m s SER 268 Ca 0.52 2.61 -0.02 0.00 0.70 0.00 0.00 55.95 59.76 3h9m s SER 268 Cb 0.42 -2.60 0.43 0.00 -1.71 0.00 0.00 66.02 62.57 3h9m s SER 268 CO 0.12 -0.81 1.97 1.05 1.20 0.00 0.00 173.24 176.77 3h9m h GLU 269 N 6.65 1.10 -0.46 5.44 -0.00 -1.99 -1.42 114.58 123.89 3h9m h GLU 269 Ca -0.43 -0.07 0.05 0.00 -0.00 0.00 0.00 59.36 58.91 3h9m h GLU 269 Cb 1.21 -0.25 -0.05 0.00 -0.00 0.00 0.00 28.75 29.66 3h9m h GLU 269 CO 0.90 0.73 0.20 -0.22 -0.00 0.00 0.00 179.01 180.62 3h9m h LYS 270 N 1.13 0.39 -0.28 1.06 3.64 -1.98 -1.57 116.57 118.96 3h9m h LYS 270 Ca 0.31 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.51 3h9m h LYS 270 Cb -0.13 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.60 3h9m h LYS 270 CO -0.07 0.26 -0.42 0.93 -2.27 0.00 0.00 179.45 177.88 3h9m h GLU 271 N 0.40 0.77 -0.33 1.90 4.39 -1.81 -1.33 114.58 118.58 3h9m h GLU 271 Ca 0.21 -0.46 -0.01 0.00 0.34 0.00 0.00 59.36 59.44 3h9m h GLU 271 Cb 0.17 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 3h9m h GLU 271 CO -0.18 1.09 0.18 1.96 -1.16 0.00 0.00 179.01 180.90 3h9m h GLN 272 N 0.53 0.45 -0.21 2.33 7.50 -1.19 -0.47 115.11 124.05 3h9m h GLN 272 Ca 0.03 -0.05 -0.01 0.00 0.50 0.00 0.00 58.65 59.11 3h9m h GLN 272 Cb 1.01 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 28.45 3h9m h GLN 272 CO 0.10 0.38 0.08 0.66 -1.50 0.00 0.00 178.83 178.55 3h9m h SER 273 N 0.40 0.30 -0.55 1.46 4.64 -1.26 -2.10 113.55 116.45 3h9m h SER 273 Ca 0.11 -0.17 0.06 0.00 -0.47 0.00 0.00 61.79 61.32 3h9m h SER 273 Cb 0.06 -0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 62.02 3h9m h SER 273 CO -0.02 0.39 0.26 -0.33 -0.87 0.00 0.00 176.83 176.27 3h9m h GLU 274 N 0.19 0.48 -0.57 4.77 5.08 -1.15 -2.92 114.58 120.46 3h9m h GLU 274 Ca 0.07 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3h9m h GLU 274 Cb 0.19 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 3h9m h GLU 274 CO -0.00 0.32 0.30 -0.97 -1.00 0.00 0.00 179.01 177.65 3h9m h ASN 275 N 0.50 0.73 0.00 1.42 -1.24 -0.84 -2.25 115.58 113.90 3h9m h ASN 275 Ca 0.25 -0.11 0.00 0.00 0.71 0.00 0.00 56.30 57.15 3h9m h ASN 275 Cb 0.20 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 39.06 3h9m h ASN 275 CO -0.20 0.63 0.00 0.41 -1.29 0.00 0.00 177.43 176.98 3h9m n THR 276 N -4.58 0.19 0.00 -3.57 -1.04 -0.81 -0.80 114.28 103.67 3h9m n THR 276 Ca 0.03 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 3h9m n THR 276 Cb 0.10 -0.63 0.00 0.00 -1.82 0.00 0.00 70.33 67.98 3h9m n THR 276 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3h9m n ILE 278 N 1.01 0.00 -0.24 12.58 2.08 -0.85 -1.26 119.36 132.68 3h9m n ILE 278 Ca 0.00 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.30 3h9m n ILE 278 Cb 0.09 0.00 0.11 0.00 -0.75 0.00 0.00 39.64 39.09 3h9m n ILE 278 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 3h9m h VAL 279 N 0.00 0.94 -0.46 1.39 2.07 -1.24 -0.73 116.25 118.21 3h9m h VAL 279 Ca 0.00 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 3h9m h VAL 279 Cb 0.00 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 29.96 3h9m h VAL 279 CO 0.00 0.12 0.06 0.44 0.02 0.00 0.00 177.57 178.21 3h9m h ASP 280 N 0.67 0.68 -0.48 0.57 3.32 -1.42 -1.27 116.42 118.49 3h9m h ASP 280 Ca 0.31 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.20 3h9m h ASP 280 Cb 0.23 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3h9m h ASP 280 CO -0.20 0.71 0.16 0.25 -1.72 0.00 0.00 179.24 178.44 3h9m h LEU 281 N 0.69 0.69 -1.33 1.55 5.85 -1.57 -2.82 115.31 118.37 3h9m h LEU 281 Ca 0.15 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 3h9m h LEU 281 Cb 0.34 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3h9m h LEU 281 CO 0.01 0.70 0.02 0.58 -0.34 0.00 0.00 178.44 179.40 3h9m h VAL 282 N 0.64 1.18 -0.77 1.05 2.07 -0.77 -1.72 116.25 117.92 3h9m h VAL 282 Ca 0.16 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 67.05 3h9m h VAL 282 Cb 0.25 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 3h9m h VAL 282 CO -0.01 0.23 0.47 0.03 0.02 0.00 0.00 177.57 178.31 3h9m h ARG 283 N 0.45 0.84 -0.54 1.57 3.08 -1.00 -1.20 114.38 117.59 3h9m h ARG 283 Ca 0.10 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.11 3h9m h ARG 283 Cb 0.27 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 3h9m h ARG 283 CO 0.01 0.56 0.34 -0.91 -1.07 0.00 0.00 179.97 178.89 3h9m h ASN 284 N 0.87 0.58 -0.64 7.04 2.35 -1.15 -0.11 115.58 124.52 3h9m h ASN 284 Ca 0.33 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 56.03 3h9m h ASN 284 Cb 0.13 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 3h9m h ASN 284 CO -0.16 0.41 0.23 0.44 -1.65 0.00 0.00 177.43 176.70 3h9m h ASP 285 N 0.69 0.90 0.43 5.81 3.32 -0.96 -2.34 116.42 124.27 3h9m h ASP 285 Ca 0.20 -0.19 -0.14 0.00 0.02 0.00 0.00 57.03 56.92 3h9m h ASP 285 Cb -0.04 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 3h9m h ASP 285 CO -0.06 0.85 -0.61 -0.07 -1.72 0.00 0.00 179.24 177.62 3h9m h LEU 286 N 0.90 0.21 -2.16 1.55 3.38 -1.10 -3.24 115.31 114.85 3h9m h LEU 286 Ca 0.21 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3h9m h LEU 286 Cb 0.24 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 3h9m h LEU 286 CO -0.01 0.77 -0.01 0.77 0.09 0.00 0.00 178.44 180.04 3h9m h SER 287 N 0.13 0.00 0.60 -0.43 4.64 -0.45 -2.44 113.55 115.61 3h9m h SER 287 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3h9m h SER 287 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3h9m h SER 287 CO 0.09 0.01 0.00 0.54 -0.87 0.00 0.00 176.83 176.61 3h9m n ARG 288 N -4.23 0.19 -0.41 4.77 1.74 -1.15 -2.77 116.66 114.79 3h9m n ARG 288 Ca -0.03 0.46 0.05 0.00 -0.77 0.00 0.00 57.85 57.56 3h9m n ARG 288 Cb 0.10 -1.89 0.07 0.00 -1.02 0.00 0.00 32.46 29.72 3h9m n ARG 288 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3h9m n THR 289 N -2.24 0.87 -4.12 0.55 -2.24 -0.93 -5.08 114.28 101.08 3h9m n THR 289 Ca 0.01 -1.15 -0.29 0.00 -2.27 0.00 0.00 64.05 60.36 3h9m n THR 289 Cb 0.20 0.20 -0.07 0.00 -2.10 0.00 0.00 70.33 68.56 3h9m n THR 289 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h9m s ALA 290 N -1.32 3.36 0.22 6.98 0.00 -1.11 -0.86 121.76 129.03 3h9m s ALA 290 Ca 0.17 -1.17 -0.32 0.00 0.00 0.00 0.00 51.96 50.64 3h9m s ALA 290 Cb 0.16 -1.22 -0.13 0.00 0.00 0.00 0.00 23.12 21.93 3h9m s ALA 290 CO -0.00 0.63 1.54 0.28 0.00 0.00 0.00 175.76 178.20 3h9m n VAL 291 N 0.24 0.56 -1.68 0.00 0.31 0.05 -4.51 118.33 113.30 3h9m n VAL 291 Ca -0.10 -0.14 -0.45 0.00 -0.01 0.00 0.00 64.34 63.64 3h9m n VAL 291 Cb 0.53 -1.66 -0.03 0.00 -0.91 0.00 0.00 33.84 31.77 3h9m n VAL 291 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h9m n ALA 292 N 2.66 1.41 -0.55 3.52 0.00 -1.26 -1.51 120.51 124.78 3h9m n ALA 292 Ca 0.13 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.00 3h9m n ALA 292 Cb 0.32 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.43 3h9m n ALA 292 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h9m n GLY 293 N 2.87 1.27 0.01 0.00 0.00 -1.26 -4.92 105.19 103.15 3h9m n GLY 293 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 3h9m n GLY 293 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h9m n SER 294 N 0.00 0.64 -4.69 1.61 3.41 -0.57 -4.87 113.62 109.15 3h9m n SER 294 Ca 0.00 -0.45 -0.42 0.00 -0.26 0.00 0.00 58.87 57.73 3h9m n SER 294 Cb 0.00 0.44 -0.03 0.00 -0.26 0.00 0.00 64.21 64.36 3h9m n SER 294 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3h9m s VAL 295 N -2.99 4.32 0.28 -3.33 1.01 -1.26 -4.12 120.40 114.31 3h9m s VAL 295 Ca 0.10 1.64 -0.10 0.00 0.00 0.00 0.00 61.98 63.63 3h9m s VAL 295 Cb 0.17 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.50 3h9m s VAL 295 CO 0.74 0.02 0.49 0.00 0.00 0.00 0.00 175.10 176.35 3h9m s VAL 297 N -3.60 1.79 0.54 0.00 1.01 -1.26 -0.90 120.40 117.97 3h9m s VAL 297 Ca 0.25 -3.12 0.25 0.00 0.00 0.00 0.00 61.98 59.36 3h9m s VAL 297 Cb -0.01 -2.22 0.37 0.00 0.00 0.00 0.00 36.38 34.52 3h9m s VAL 297 CO 0.13 -0.96 2.04 -0.65 0.00 0.00 0.00 175.10 175.65 3h9m h PRO 298 N 6.19 0.00 -2.74 2.72 0.11 -1.94 -3.40 132.00 132.94 3h9m h PRO 298 Ca 0.06 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.01 3h9m h PRO 298 Cb 0.87 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 31.68 3h9m h PRO 298 CO 0.55 0.00 -0.45 -2.00 -0.21 0.00 0.00 178.00 175.89 3h9m s GLU 299 N -4.92 0.23 -0.26 1.05 2.12 -1.24 -5.02 118.70 110.66 3h9m s GLU 299 Ca -0.05 0.82 -0.08 0.00 0.36 0.00 0.00 54.97 56.02 3h9m s GLU 299 Cb 0.18 0.08 -0.03 0.00 0.26 0.00 0.00 34.13 34.62 3h9m s GLU 299 CO 0.67 -0.25 0.10 -1.17 -0.54 0.00 0.00 175.26 174.08 3h9m s LEU 300 N 2.26 3.64 -1.20 2.70 2.96 -1.26 -0.78 118.68 127.00 3h9m s LEU 300 Ca -0.02 -0.21 -0.14 0.00 -0.22 0.00 0.00 54.13 53.54 3h9m s LEU 300 Cb -0.11 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.59 3h9m s LEU 300 CO -0.10 -0.06 0.73 -1.20 -1.32 0.00 0.00 176.35 174.40 3h9m n SER 301 N 4.96 -4.08 -4.74 3.68 7.64 -1.22 -4.93 113.62 114.92 3h9m n SER 301 Ca -0.15 -0.98 -0.40 0.00 1.01 0.00 0.00 58.87 58.34 3h9m n SER 301 Cb 0.51 -3.50 -0.05 0.00 -1.01 0.00 0.00 64.21 60.16 3h9m n SER 301 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3h9m s GLY 302 N -3.72 2.92 -0.12 0.23 0.00 -0.13 -4.67 107.32 101.84 3h9m s GLY 302 Ca 0.34 0.45 -0.26 0.00 0.00 0.00 0.00 44.72 45.25 3h9m s GLY 302 CO 0.85 1.27 0.86 -2.27 0.00 0.00 0.00 173.10 173.81 3h9m s LEU 303 N -0.14 4.24 -0.05 0.66 2.96 -1.26 -1.40 118.68 123.69 3h9m s LEU 303 Ca 0.43 1.30 0.04 0.00 -0.22 0.00 0.00 54.13 55.67 3h9m s LEU 303 Cb -0.22 -3.30 0.00 0.00 0.50 0.00 0.00 46.19 43.16 3h9m s LEU 303 CO 0.27 -0.33 -0.15 -0.31 -1.32 0.00 0.00 176.35 174.50 3h9m s TYR 304 N 1.72 1.59 -0.18 5.38 2.02 -0.05 -5.00 117.35 122.83 3h9m s TYR 304 Ca 0.42 -0.48 -0.03 0.00 -0.37 0.00 0.00 57.07 56.61 3h9m s TYR 304 Cb -0.18 -1.09 -0.01 0.00 -0.40 0.00 0.00 41.96 40.28 3h9m s TYR 304 CO 0.16 -0.18 -0.07 0.99 -1.57 0.00 0.00 175.55 174.88 3h9m s THR 305 N 0.18 3.39 0.40 -0.71 2.01 -1.26 -0.67 115.64 118.97 3h9m s THR 305 Ca -0.06 -0.51 0.05 0.00 0.31 0.00 0.00 61.69 61.47 3h9m s THR 305 Cb -0.12 -2.50 -0.06 0.00 0.01 0.00 0.00 72.50 69.83 3h9m s THR 305 CO 0.02 0.47 0.03 -0.36 -0.69 0.00 0.00 174.62 174.10 3h9m s PHE 306 N 0.91 2.19 0.21 4.92 0.08 0.76 -5.00 117.98 122.04 3h9m s PHE 306 Ca -0.01 -0.85 -0.10 0.00 0.12 0.00 0.00 56.93 56.09 3h9m s PHE 306 Cb -0.15 -1.55 0.16 0.00 -0.57 0.00 0.00 43.02 40.91 3h9m s PHE 306 CO 0.01 0.22 1.85 -1.35 -0.10 0.00 0.00 175.22 175.85 3h9m h PRO 307 N 1.81 1.05 0.00 0.24 0.11 -1.98 -3.15 132.00 130.08 3h9m h PRO 307 Ca -0.42 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 3h9m h PRO 307 Cb 1.26 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 3h9m h PRO 307 CO 0.75 0.74 -1.42 0.09 -0.21 0.00 0.00 178.00 177.94 3h9m n ASN 308 N -4.49 0.51 -3.69 -2.05 4.13 -1.26 -5.01 115.26 103.41 3h9m n ASN 308 Ca 0.07 0.20 -0.13 0.00 1.68 0.00 0.00 54.58 56.40 3h9m n ASN 308 Cb 0.06 1.04 -0.07 0.00 -1.54 0.00 0.00 39.78 39.26 3h9m n ASN 308 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 3h9m s VAL 309 N -3.39 0.05 -0.00 2.41 -7.23 -1.19 -5.15 120.40 105.90 3h9m s VAL 309 Ca -0.04 -0.44 -0.01 0.00 -1.81 0.00 0.00 61.98 59.68 3h9m s VAL 309 Cb 0.11 -0.84 -0.04 0.00 0.56 0.00 0.00 36.38 36.17 3h9m s VAL 309 CO 0.84 -0.24 0.12 -1.38 -0.31 0.00 0.00 175.10 174.12 3h9m s HIS 310 N -1.96 3.37 -0.00 2.82 -0.00 -1.26 -0.17 115.29 118.08 3h9m s HIS 310 Ca -0.09 0.25 -0.02 0.00 -0.00 0.00 0.00 55.06 55.20 3h9m s HIS 310 Cb -0.02 -1.76 -0.01 0.00 -0.00 0.00 0.00 32.58 30.79 3h9m s HIS 310 CO 0.01 0.58 0.03 -0.65 -0.00 0.00 0.00 174.74 174.71 3h9m s GLN 311 N -1.85 0.21 -0.28 -0.38 -0.21 0.15 -4.99 119.66 112.32 3h9m s GLN 311 Ca 0.25 -0.26 -0.10 0.00 0.02 0.00 0.00 55.36 55.27 3h9m s GLN 311 Cb -0.12 0.08 -0.04 0.00 1.00 0.00 0.00 33.01 33.93 3h9m s GLN 311 CO 0.16 -0.04 0.16 -0.51 -2.12 0.00 0.00 175.29 172.95 3h9m s LEU 312 N -0.74 3.94 -0.08 2.90 1.43 -1.26 -0.87 118.68 124.00 3h9m s LEU 312 Ca -0.08 -0.15 0.04 0.00 -1.03 0.00 0.00 54.13 52.91 3h9m s LEU 312 Cb -0.05 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.11 3h9m s LEU 312 CO -0.00 -0.08 -0.19 -0.63 0.23 0.00 0.00 176.35 175.68 3h9m s ILE 313 N 1.71 1.69 -0.14 -0.59 1.01 -0.49 -2.32 121.20 122.07 3h9m s ILE 313 Ca 0.07 -0.81 -0.06 0.00 0.00 0.00 0.00 60.65 59.84 3h9m s ILE 313 Cb -0.16 -1.47 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 3h9m s ILE 313 CO 0.09 0.48 0.09 -0.44 0.00 0.00 0.00 174.94 175.16 3h9m s SER 314 N 0.38 5.97 -0.21 3.58 0.01 -0.83 -0.96 113.70 121.64 3h9m s SER 314 Ca -0.15 0.29 -0.03 0.00 1.31 0.00 0.00 55.95 57.37 3h9m s SER 314 Cb -0.16 -1.93 -0.00 0.00 0.21 0.00 0.00 66.02 64.14 3h9m s SER 314 CO 0.06 0.32 -0.07 -0.89 0.41 0.00 0.00 173.24 173.07 3h9m s THR 315 N -0.52 3.13 -0.13 1.44 2.01 0.04 -3.27 115.64 118.32 3h9m s THR 315 Ca 0.11 -0.58 -0.04 0.00 0.31 0.00 0.00 61.69 61.49 3h9m s THR 315 Cb -0.12 -2.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.95 3h9m s THR 315 CO 0.02 0.45 0.02 -0.69 -0.69 0.00 0.00 174.62 173.72 3h9m s VAL 316 N 1.39 4.40 0.05 3.82 1.01 0.10 -3.18 120.40 127.98 3h9m s VAL 316 Ca 0.05 -0.19 0.04 0.00 0.00 0.00 0.00 61.98 61.88 3h9m s VAL 316 Cb -0.14 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 3h9m s VAL 316 CO -0.05 0.53 -0.12 -1.58 0.00 0.00 0.00 175.10 173.88 3h9m s GLN 317 N -0.20 0.79 0.19 2.72 0.74 -0.08 -1.01 119.66 122.81 3h9m s GLN 317 Ca 0.06 -0.77 -0.05 0.00 0.05 0.00 0.00 55.36 54.65 3h9m s GLN 317 Cb -0.12 -0.76 -0.03 0.00 1.10 0.00 0.00 33.01 33.20 3h9m s GLN 317 CO 0.02 0.18 0.20 -1.54 -0.55 0.00 0.00 175.29 173.60 3h9m s SER 318 N -1.32 0.12 -0.15 6.67 1.04 -0.33 -1.02 113.70 118.71 3h9m s SER 318 Ca -0.02 -1.17 -0.03 0.00 0.48 0.00 0.00 55.95 55.22 3h9m s SER 318 Cb -0.08 0.41 -0.02 0.00 0.10 0.00 0.00 66.02 66.42 3h9m s SER 318 CO 0.01 -0.88 -0.05 -0.89 0.98 0.00 0.00 173.24 172.41 3h9m s THR 319 N -4.07 3.71 0.21 2.02 2.01 -1.26 -1.04 115.64 117.21 3h9m s THR 319 Ca 0.28 -0.42 -0.31 0.00 0.31 0.00 0.00 61.69 61.55 3h9m s THR 319 Cb 0.05 -2.62 -0.10 0.00 0.01 0.00 0.00 72.50 69.84 3h9m s THR 319 CO 0.07 0.49 1.54 -0.51 -0.69 0.00 0.00 174.62 175.53 3h9m s ILE 320 N 0.43 2.52 0.05 1.82 2.07 -0.26 -0.77 121.20 127.06 3h9m s ILE 320 Ca -0.05 0.40 -0.31 0.00 -1.41 0.00 0.00 60.65 59.29 3h9m s ILE 320 Cb -0.15 -3.26 -0.08 0.00 0.13 0.00 0.00 42.46 39.11 3h9m s ILE 320 CO 0.03 0.04 1.67 -0.62 -1.91 0.00 0.00 174.94 174.16 3h9m s ASP 321 N 0.84 6.60 0.64 4.50 -1.08 -0.04 -4.43 116.67 123.71 3h9m s ASP 321 Ca 0.66 2.47 0.34 0.00 -0.52 0.00 0.00 52.55 55.50 3h9m s ASP 321 Cb -0.44 -2.56 1.89 0.00 -1.46 0.00 0.00 42.92 40.35 3h9m s ASP 321 CO 0.37 -0.90 2.11 -0.65 0.52 0.00 0.00 175.17 176.62 3h9m h PRO 322 N 8.56 0.00 0.00 4.34 0.11 -1.92 0.43 132.00 143.52 3h9m h PRO 322 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3h9m h PRO 322 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3h9m h PRO 322 CO 0.93 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.72 3h9m n ALA 323 N -2.09 2.33 -2.65 -0.75 0.00 -1.26 -4.81 120.51 111.28 3h9m n ALA 323 Ca -0.01 -0.11 -0.33 0.00 0.00 0.00 0.00 53.44 52.99 3h9m n ALA 323 Cb 0.28 -1.45 -0.10 0.00 0.00 0.00 0.00 19.45 18.18 3h9m n ALA 323 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h9m s SER 325 N -1.31 5.37 0.34 0.00 1.04 -1.26 -4.81 113.70 113.08 3h9m s SER 325 Ca 0.17 0.65 0.03 0.00 0.48 0.00 0.00 55.95 57.27 3h9m s SER 325 Cb -0.11 -1.54 0.63 0.00 0.10 0.00 0.00 66.02 65.10 3h9m s SER 325 CO 0.07 -1.22 1.98 0.77 0.98 0.00 0.00 173.24 175.82 3h9m h SER 326 N -0.30 0.75 -0.27 7.02 4.64 -1.96 -1.84 113.55 121.58 3h9m h SER 326 Ca -0.45 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 60.72 3h9m h SER 326 Cb 1.27 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 3h9m h SER 326 CO 0.61 0.52 -0.34 0.40 -0.87 0.00 0.00 176.83 177.15 3h9m h ILE 327 N 0.88 1.28 -0.92 0.95 2.04 -1.99 -2.68 117.51 117.06 3h9m h ILE 327 Ca 0.28 -1.50 0.08 0.00 1.00 0.00 0.00 64.86 64.72 3h9m h ILE 327 Cb 0.04 1.37 -0.07 0.00 -0.74 0.00 0.00 36.82 37.41 3h9m h ILE 327 CO -0.08 0.50 0.57 0.44 0.00 0.00 0.00 178.15 179.58 3h9m h ASP 328 N 0.67 0.88 -0.30 1.72 3.32 -1.72 0.15 116.42 121.13 3h9m h ASP 328 Ca 0.07 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.17 3h9m h ASP 328 Cb 0.89 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 3h9m h ASP 328 CO 0.08 0.53 0.15 0.58 -1.72 0.00 0.00 179.24 178.85 3h9m h VAL 329 N 0.99 0.99 -0.17 -1.35 2.07 -1.10 -0.98 116.25 116.70 3h9m h VAL 329 Ca 0.42 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.80 3h9m h VAL 329 Cb 0.29 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3h9m h VAL 329 CO -0.21 0.06 -0.06 0.40 0.02 0.00 0.00 177.57 177.78 3h9m h ILE 330 N 0.31 1.30 -0.25 4.57 2.04 -1.24 -2.82 117.51 121.41 3h9m h ILE 330 Ca 0.12 -1.05 0.04 0.00 1.00 0.00 0.00 64.86 64.97 3h9m h ILE 330 Cb 0.04 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.71 3h9m h ILE 330 CO -0.08 0.31 -0.00 -0.61 0.00 0.00 0.00 178.15 177.76 3h9m h GLN 331 N 0.04 0.07 0.00 2.37 4.15 -0.82 -1.38 115.11 119.54 3h9m h GLN 331 Ca 0.04 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.46 3h9m h GLN 331 Cb 0.51 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.18 3h9m h GLN 331 CO 0.02 0.05 0.00 1.96 -1.93 0.00 0.00 178.83 178.93 3h9m h GLN 332 N 0.07 0.00 -0.15 1.69 1.08 -1.18 -2.23 115.11 114.39 3h9m h GLN 332 Ca 0.12 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.32 3h9m h GLN 332 Cb 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 3h9m h GLN 332 CO -0.21 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.67 3h9m n ALA 333 N -2.06 2.48 -2.74 3.87 0.00 -0.61 -4.81 120.51 116.64 3h9m n ALA 333 Ca 0.01 -0.70 -0.34 0.00 0.00 0.00 0.00 53.44 52.40 3h9m n ALA 333 Cb 0.29 -0.94 -0.08 0.00 0.00 0.00 0.00 19.45 18.71 3h9m n ALA 333 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3h9m s PHE 334 N -1.82 3.23 0.00 0.00 5.36 -0.67 -4.44 117.98 119.64 3h9m s PHE 334 Ca 0.34 0.21 0.00 0.00 -0.96 0.00 0.00 56.93 56.52 3h9m s PHE 334 Cb 0.21 -1.77 0.00 0.00 -0.34 0.00 0.00 43.02 41.12 3h9m s PHE 334 CO 0.31 0.52 0.00 -0.35 -1.46 0.00 0.00 175.22 174.24 3h9m n PRO 335 N 1.68 0.00 -0.11 10.12 -0.04 -1.26 -4.85 135.00 140.54 3h9m n PRO 335 Ca -0.16 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.16 3h9m n PRO 335 Cb 0.53 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.87 3h9m n PRO 335 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h9m n GLY 337 N 2.52 -0.51 1.07 0.55 0.00 -1.26 -4.93 105.19 102.62 3h9m n GLY 337 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3h9m n GLY 337 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h9m n SER 338 N -3.02 0.99 0.00 1.61 3.41 -1.26 -3.57 113.62 111.78 3h9m n SER 338 Ca -0.38 -0.68 0.00 0.00 -0.26 0.00 0.00 58.87 57.55 3h9m n SER 338 Cb 0.99 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.77 3h9m n SER 338 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3h9m n THR 340 N 0.92 0.00 -1.41 6.66 -2.24 -1.26 -4.91 114.28 112.04 3h9m n THR 340 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3h9m n THR 340 Cb 0.15 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 3h9m n THR 340 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h9m n GLY 341 N 0.00 0.27 2.91 3.38 0.00 -1.23 -0.97 105.19 109.55 3h9m n GLY 341 Ca 0.00 -1.65 -0.18 0.00 0.00 0.00 0.00 46.02 44.19 3h9m n GLY 341 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h9m s ALA 342 N -1.00 0.51 0.25 4.61 0.00 -0.69 -2.85 121.76 122.59 3h9m s ALA 342 Ca 0.00 -0.08 -0.30 0.00 0.00 0.00 0.00 51.96 51.59 3h9m s ALA 342 Cb 0.00 -0.27 -0.09 0.00 0.00 0.00 0.00 23.12 22.76 3h9m s ALA 342 CO 0.00 0.03 1.17 -1.25 0.00 0.00 0.00 175.76 175.71 3h9m s PRO 343 N 0.50 4.54 0.11 0.00 0.04 -1.26 -1.44 135.00 137.48 3h9m s PRO 343 Ca -0.06 1.89 -0.20 0.00 0.04 0.00 0.00 61.00 62.68 3h9m s PRO 343 Cb -0.09 -3.20 -0.07 0.00 0.04 0.00 0.00 34.50 31.18 3h9m s PRO 343 CO -0.00 0.03 1.74 -0.22 0.04 0.00 0.00 177.00 178.58 3h9m h LYS 344 N 4.39 0.28 0.05 4.56 3.64 -1.93 -0.50 116.57 127.06 3h9m h LYS 344 Ca -0.46 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 58.89 3h9m h LYS 344 Cb 1.21 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3h9m h LYS 344 CO 0.70 0.23 -0.03 0.28 -2.27 0.00 0.00 179.45 178.37 3h9m h VAL 345 N 0.25 1.13 -0.64 2.00 2.07 -1.99 -2.94 116.25 116.13 3h9m h VAL 345 Ca 0.07 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 3h9m h VAL 345 Cb 0.02 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 3h9m h VAL 345 CO -0.01 0.15 0.23 0.78 0.02 0.00 0.00 177.57 178.74 3h9m h ASN 346 N -0.34 0.87 0.00 0.57 2.35 -1.95 -2.44 115.58 114.64 3h9m h ASN 346 Ca -0.01 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 3h9m h ASN 346 Cb 0.31 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3h9m h ASN 346 CO 0.01 0.79 0.00 0.52 -1.65 0.00 0.00 177.43 177.10 3h9m n VAL 347 N -4.30 0.33 0.00 2.81 0.31 -0.20 -0.96 118.33 116.33 3h9m n VAL 347 Ca 0.05 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3h9m n VAL 347 Cb 0.19 -0.86 0.00 0.00 -0.91 0.00 0.00 33.84 32.26 3h9m n VAL 347 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3h9m n LYS 349 N 1.38 0.00 -0.13 5.55 5.02 -0.92 -0.38 118.16 128.68 3h9m n LYS 349 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 3h9m n LYS 349 Cb 0.11 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.11 3h9m n LYS 349 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 3h9m h PHE 350 N 0.00 0.65 -0.54 2.13 0.04 -1.34 -2.03 116.94 115.85 3h9m h PHE 350 Ca 0.00 -0.07 0.08 0.00 2.80 0.00 0.00 57.97 60.78 3h9m h PHE 350 Cb 0.00 -0.19 -0.06 0.00 2.20 0.00 0.00 35.95 37.90 3h9m h PHE 350 CO 0.00 0.63 0.19 0.82 -0.60 0.00 0.00 178.31 179.34 3h9m h ILE 351 N 0.49 0.79 -0.37 -0.55 2.04 -0.98 -0.65 117.51 118.29 3h9m h ILE 351 Ca 0.12 -0.12 -0.08 0.00 1.00 0.00 0.00 64.86 65.79 3h9m h ILE 351 Cb 0.30 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 3h9m h ILE 351 CO -0.00 0.07 -0.08 -0.78 0.00 0.00 0.00 178.15 177.35 3h9m h ASP 352 N 0.36 0.61 -0.12 1.72 3.58 -1.72 -0.28 116.42 120.57 3h9m h ASP 352 Ca 0.27 -0.16 -0.22 0.00 0.42 0.00 0.00 57.03 57.34 3h9m h ASP 352 Cb 0.31 -0.16 0.01 0.00 1.72 0.00 0.00 39.33 41.21 3h9m h ASP 352 CO -0.28 0.74 -0.76 -0.09 -2.88 0.00 0.00 179.24 175.97 3h9m h ARG 353 N 0.58 0.77 0.03 0.28 2.43 -0.91 -3.38 114.38 114.17 3h9m h ARG 353 Ca 0.11 -0.62 -0.34 0.00 -0.81 0.00 0.00 59.98 58.32 3h9m h ARG 353 Cb 0.49 0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.12 3h9m h ARG 353 CO 0.03 1.23 -2.06 -0.89 -1.51 0.00 0.00 179.97 176.76 3h9m n ILE 354 N -3.93 1.57 -1.41 1.20 5.41 -0.29 -4.90 119.36 117.01 3h9m n ILE 354 Ca -0.07 -0.75 -0.33 0.00 1.00 0.00 0.00 62.75 62.60 3h9m n ILE 354 Cb 0.74 -1.09 0.09 0.00 -0.71 0.00 0.00 39.64 38.66 3h9m n ILE 354 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 3h9m s GLU 355 N -2.55 2.25 0.00 0.38 2.02 -0.13 -4.96 118.70 115.71 3h9m s GLU 355 Ca -0.14 1.46 0.18 0.00 0.02 0.00 0.00 54.97 56.48 3h9m s GLU 355 Cb 0.07 -1.88 0.74 0.00 0.10 0.00 0.00 34.13 33.17 3h9m s GLU 355 CO 0.78 -1.69 1.52 -1.13 0.02 0.00 0.00 175.26 174.76 3h9m n SER 356 N -3.00 1.13 -4.78 -0.19 3.41 -1.26 -4.93 113.62 104.00 3h9m n SER 356 Ca 0.11 -1.69 -0.37 0.00 -0.26 0.00 0.00 58.87 56.66 3h9m n SER 356 Cb 0.52 -0.09 -0.06 0.00 -0.26 0.00 0.00 64.21 64.32 3h9m n SER 356 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h9m s ALA 358 N -1.83 3.29 0.24 7.33 0.00 -0.28 -4.80 121.76 125.71 3h9m s ALA 358 Ca 0.28 0.46 0.12 0.00 0.00 0.00 0.00 51.96 52.81 3h9m s ALA 358 Cb 0.14 -3.10 0.37 0.00 0.00 0.00 0.00 23.12 20.53 3h9m s ALA 358 CO 0.22 0.22 1.61 0.00 0.00 0.00 0.00 175.76 177.81 3h9m h ARG 359 N 3.47 0.00 0.00 0.00 3.08 -1.90 -3.37 114.38 115.66 3h9m h ARG 359 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 3h9m h ARG 359 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3h9m h ARG 359 CO 0.66 0.60 0.00 0.41 -1.07 0.00 0.00 179.97 180.57 3h9m n GLY 360 N 0.33 3.68 0.25 0.04 0.00 -1.26 -1.46 105.19 106.76 3h9m n GLY 360 Ca -0.01 0.03 0.16 0.00 0.00 0.00 0.00 46.02 46.20 3h9m n GLY 360 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h9m h PRO 361 N 0.00 0.00 -6.74 1.61 0.13 -1.92 -0.22 132.00 124.87 3h9m h PRO 361 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 3h9m h PRO 361 Cb 0.00 0.00 0.05 0.00 0.13 0.00 0.00 31.00 31.18 3h9m h PRO 361 CO 0.00 0.00 0.73 0.12 -0.23 0.00 0.00 178.00 178.62 3h9m s PHE 362 N -3.54 3.07 -2.12 1.56 5.36 -0.54 -1.50 117.98 120.27 3h9m s PHE 362 Ca 0.03 1.08 0.00 0.00 -0.96 0.00 0.00 56.93 57.08 3h9m s PHE 362 Cb 0.08 -3.77 0.00 0.00 -0.34 0.00 0.00 43.02 38.99 3h9m s PHE 362 CO 0.56 -2.48 0.00 -1.13 -1.46 0.00 0.00 175.22 170.71 3h9m n SER 363 N 2.34 -5.63 -2.15 6.13 3.41 -0.41 -4.29 113.62 113.03 3h9m n SER 363 Ca 0.06 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 3h9m n SER 363 Cb 0.41 -4.90 0.00 0.00 -0.26 0.00 0.00 64.21 59.46 3h9m n SER 363 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h9m n GLY 364 N -0.54 0.02 3.03 5.00 0.00 -0.56 -4.44 105.19 107.69 3h9m n GLY 364 Ca -0.22 -1.74 -0.11 0.00 0.00 0.00 0.00 46.02 43.95 3h9m n GLY 364 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3h9m s THR 365 N 0.57 0.06 0.02 2.61 -1.32 -0.24 -0.91 115.64 116.43 3h9m s THR 365 Ca 0.00 -0.51 0.07 0.00 -1.21 0.00 0.00 61.69 60.04 3h9m s THR 365 Cb 0.00 -0.29 -0.02 0.00 -1.51 0.00 0.00 72.50 70.68 3h9m s THR 365 CO 0.00 -0.28 -0.22 -0.69 -2.21 0.00 0.00 174.62 171.22 3h9m s VAL 366 N -0.92 1.77 0.00 5.08 1.01 -1.26 -1.22 120.40 124.86 3h9m s VAL 366 Ca -0.10 -1.10 0.00 0.00 0.00 0.00 0.00 61.98 60.78 3h9m s VAL 366 Cb -0.06 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.82 3h9m s VAL 366 CO 0.00 0.37 0.00 0.61 0.00 0.00 0.00 175.10 176.08 3h9m n GLY 367 N 2.17 0.70 0.00 4.51 0.00 -0.50 -1.70 105.19 110.37 3h9m n GLY 367 Ca -0.16 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.18 3h9m n GLY 367 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3h9m n TYR 368 N 0.00 0.00 -3.91 1.61 0.18 -0.75 -1.33 117.16 112.96 3h9m n TYR 368 Ca 0.00 0.00 -0.08 0.00 1.88 0.00 0.00 57.90 59.70 3h9m n TYR 368 Cb 0.00 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 38.93 3h9m n TYR 368 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 3h9m s ASP 370 N 1.00 -0.13 0.43 9.48 1.47 -0.36 -1.97 116.67 126.58 3h9m s ASP 370 Ca 0.00 -0.80 0.28 0.00 1.18 0.00 0.00 52.55 53.21 3h9m s ASP 370 Cb 0.00 0.69 1.55 0.00 -0.34 0.00 0.00 42.92 44.82 3h9m s ASP 370 CO 0.00 -1.32 1.87 -0.65 0.68 0.00 0.00 175.17 175.76 3h9m h PRO 371 N 2.09 0.00 -0.63 2.11 0.11 -1.83 -1.71 132.00 132.14 3h9m h PRO 371 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3h9m h PRO 371 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3h9m h PRO 371 CO 0.29 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.80 3h9m n HIS 372 N -2.50 0.84 -1.99 0.65 8.25 -1.26 -4.22 115.22 115.00 3h9m n HIS 372 Ca -0.02 -0.42 -0.13 0.00 -0.26 0.00 0.00 57.72 56.89 3h9m n HIS 372 Cb 0.05 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.14 3h9m n HIS 372 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3h9m n ASP 373 N 1.43 -4.19 -4.92 0.41 2.03 -0.64 -4.95 116.55 105.71 3h9m n ASP 373 Ca 0.22 0.09 -0.26 0.00 0.52 0.00 0.00 54.79 55.36 3h9m n ASP 373 Cb 0.56 -3.22 -0.00 0.00 -0.72 0.00 0.00 41.12 37.74 3h9m n ASP 373 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 3h9m s ASN 374 N -2.55 6.22 0.17 1.67 0.01 -1.26 -4.88 114.94 114.32 3h9m s ASN 374 Ca 0.00 0.70 -0.18 0.00 -0.71 0.00 0.00 52.86 52.67 3h9m s ASN 374 Cb 0.00 -2.10 0.03 0.00 0.41 0.00 0.00 41.25 39.60 3h9m s ASN 374 CO 0.00 -0.51 0.50 0.72 -1.51 0.00 0.00 177.10 176.30 3h9m s PHE 375 N -2.59 -0.19 -0.21 2.20 -0.12 -0.89 -1.22 117.98 114.96 3h9m s PHE 375 Ca 0.45 -0.13 -0.18 0.00 -0.05 0.00 0.00 56.93 57.02 3h9m s PHE 375 Cb -0.10 0.37 0.06 0.00 -0.63 0.00 0.00 43.02 42.72 3h9m s PHE 375 CO 0.41 -0.85 0.55 0.34 -0.05 0.00 0.00 175.22 175.62 3h9m s ASP 376 N -2.84 -0.60 -0.05 1.98 2.15 -0.83 -1.24 116.67 115.25 3h9m s ASP 376 Ca 0.06 1.12 -0.04 0.00 0.43 0.00 0.00 52.55 54.13 3h9m s ASP 376 Cb -0.00 1.11 0.01 0.00 -0.30 0.00 0.00 42.92 43.75 3h9m s ASP 376 CO -0.07 -0.20 0.12 -0.36 -0.17 0.00 0.00 175.17 174.50 3h9m s PHE 377 N 0.48 -0.13 0.40 -5.34 0.08 -0.36 -1.80 117.98 111.31 3h9m s PHE 377 Ca -0.02 0.33 0.06 0.00 0.12 0.00 0.00 56.93 57.43 3h9m s PHE 377 Cb -0.04 0.04 0.06 0.00 -0.57 0.00 0.00 43.02 42.50 3h9m s PHE 377 CO -0.02 -0.07 0.50 0.27 -0.10 0.00 0.00 175.22 175.81 3h9m n ASN 378 N 3.08 1.62 -4.39 1.36 6.94 -0.69 -1.01 115.26 122.18 3h9m n ASN 378 Ca -0.13 -2.12 -0.35 0.00 -0.02 0.00 0.00 54.58 51.96 3h9m n ASN 378 Cb 0.59 -0.24 -0.13 0.00 -2.36 0.00 0.00 39.78 37.63 3h9m n ASN 378 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3h9m s VAL 379 N -1.58 3.69 -1.35 3.53 1.01 -0.27 -4.19 120.40 121.24 3h9m s VAL 379 Ca 0.38 -0.40 -0.13 0.00 0.00 0.00 0.00 61.98 61.84 3h9m s VAL 379 Cb -0.03 -2.67 0.10 0.00 0.00 0.00 0.00 36.38 33.78 3h9m s VAL 379 CO 0.24 0.43 1.94 0.18 0.00 0.00 0.00 175.10 177.89 3h9m n LEU 380 N 4.44 6.29 -4.75 3.92 4.77 -0.09 -4.71 117.00 126.87 3h9m n LEU 380 Ca -0.18 -4.30 -0.24 0.00 -0.03 0.00 0.00 56.01 51.26 3h9m n LEU 380 Cb 0.51 -1.61 -0.07 0.00 -2.33 0.00 0.00 43.42 39.92 3h9m n LEU 380 CO 0.30 0.99 -0.15 0.27 -1.33 0.00 0.00 177.39 177.48 3h9m s ILE 381 N 2.29 2.39 -1.48 -0.08 -4.36 -1.26 -1.28 121.20 117.41 3h9m s ILE 381 Ca 0.45 -1.67 -0.09 0.00 -0.26 0.00 0.00 60.65 59.08 3h9m s ILE 381 Cb 0.09 -2.99 0.06 0.00 1.25 0.00 0.00 42.46 40.87 3h9m s ILE 381 CO -0.02 -0.02 0.83 0.54 0.24 0.00 0.00 174.94 176.51 3h9m n ARG 382 N -1.25 -4.91 -4.26 0.37 1.74 -1.26 -3.77 116.66 103.32 3h9m n ARG 382 Ca -0.01 0.56 -0.19 0.00 -0.77 0.00 0.00 57.85 57.44 3h9m n ARG 382 Cb 0.64 -5.27 -0.11 0.00 -1.02 0.00 0.00 32.46 26.70 3h9m n ARG 382 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3h9m s SER 383 N -3.70 2.13 -0.14 0.55 0.01 -1.26 -0.93 113.70 110.36 3h9m s SER 383 Ca 0.43 -0.81 -0.02 0.00 1.31 0.00 0.00 55.95 56.86 3h9m s SER 383 Cb -0.22 -0.09 -0.02 0.00 0.21 0.00 0.00 66.02 65.91 3h9m s SER 383 CO 0.84 -0.11 -0.09 -0.63 0.41 0.00 0.00 173.24 173.66 3h9m s ILE 384 N -2.06 3.41 -0.11 1.44 1.01 0.23 -4.59 121.20 120.53 3h9m s ILE 384 Ca 0.10 -0.53 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 3h9m s ILE 384 Cb -0.05 -2.46 -0.03 0.00 0.01 0.00 0.00 42.46 39.93 3h9m s ILE 384 CO 0.04 0.51 -0.06 -0.36 0.00 0.00 0.00 174.94 175.07 3h9m s PHE 385 N 0.35 2.97 0.01 3.97 0.08 -0.42 -0.82 117.98 124.11 3h9m s PHE 385 Ca -0.08 -0.17 0.00 0.00 0.12 0.00 0.00 56.93 56.80 3h9m s PHE 385 Cb -0.15 -1.83 -0.01 0.00 -0.57 0.00 0.00 43.02 40.46 3h9m s PHE 385 CO 0.05 0.13 -0.01 -0.47 -0.10 0.00 0.00 175.22 174.81 3h9m s TYR 386 N -0.21 0.13 -0.20 0.36 5.04 -0.61 -1.19 117.35 120.67 3h9m s TYR 386 Ca 0.03 -0.15 0.00 0.00 -2.44 0.00 0.00 57.07 54.52 3h9m s TYR 386 Cb -0.13 -0.09 0.05 0.00 0.35 0.00 0.00 41.96 42.14 3h9m s TYR 386 CO 0.03 -0.05 -0.07 1.21 -1.34 0.00 0.00 175.55 175.33 3h9m s ASN 387 N -0.40 3.37 0.42 4.32 3.84 -0.52 -0.46 114.94 125.50 3h9m s ASN 387 Ca -0.04 -0.91 0.20 0.00 0.21 0.00 0.00 52.86 52.32 3h9m s ASN 387 Cb -0.03 -1.11 0.90 0.00 -0.55 0.00 0.00 41.25 40.46 3h9m s ASN 387 CO -0.00 -0.19 1.85 0.77 -2.79 0.00 0.00 177.10 176.74 3h9m h SER 388 N 8.01 0.00 -0.19 -4.21 4.64 -1.50 0.18 113.55 120.48 3h9m h SER 388 Ca -0.24 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.95 3h9m h SER 388 Cb 1.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.17 3h9m h SER 388 CO 0.43 0.30 -0.33 0.00 -0.87 0.00 0.00 176.83 176.36 3h9m h ALA 389 N 1.70 0.82 -0.01 5.18 0.00 -1.96 -3.26 119.26 121.74 3h9m h ALA 389 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3h9m h ALA 389 Cb 0.68 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3h9m h ALA 389 CO 0.04 0.64 -0.51 0.25 0.00 0.00 0.00 179.25 179.67 3h9m n THR 390 N -4.07 0.00 -3.65 0.00 -2.24 -1.16 -4.99 114.28 98.18 3h9m n THR 390 Ca -0.01 -0.24 -0.25 0.00 -2.27 0.00 0.00 64.05 61.28 3h9m n THR 390 Cb 0.49 1.13 0.07 0.00 -2.10 0.00 0.00 70.33 69.91 3h9m n THR 390 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h9m n GLN 391 N -0.59 -7.39 -4.42 -0.78 1.13 0.02 -4.92 117.38 100.43 3h9m n GLN 391 Ca 0.06 0.78 -0.34 0.00 -1.94 0.00 0.00 57.00 55.55 3h9m n GLN 391 Cb 0.32 -5.80 -0.10 0.00 0.11 0.00 0.00 30.24 24.77 3h9m n GLN 391 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 3h9m s GLU 392 N -6.30 3.06 0.07 -1.09 2.02 -1.04 -1.27 118.70 114.15 3h9m s GLU 392 Ca 0.55 -0.45 0.09 0.00 0.02 0.00 0.00 54.97 55.18 3h9m s GLU 392 Cb -0.25 -2.78 -0.03 0.00 0.10 0.00 0.00 34.13 31.17 3h9m s GLU 392 CO 0.75 0.61 -0.25 -0.51 0.02 0.00 0.00 175.26 175.88 3h9m s LEU 393 N -0.64 2.22 0.16 1.80 1.43 -0.01 -1.44 118.68 122.21 3h9m s LEU 393 Ca 0.10 -0.63 -0.12 0.00 -1.03 0.00 0.00 54.13 52.45 3h9m s LEU 393 Cb -0.12 -1.18 0.01 0.00 0.03 0.00 0.00 46.19 44.93 3h9m s LEU 393 CO 0.02 0.20 0.36 0.12 0.23 0.00 0.00 176.35 177.28 3h9m s PHE 394 N -0.90 0.16 0.24 0.29 5.36 -0.33 -1.69 117.98 121.10 3h9m s PHE 394 Ca 0.11 -0.52 -0.20 0.00 -0.96 0.00 0.00 56.93 55.36 3h9m s PHE 394 Cb -0.10 0.11 0.03 0.00 -0.34 0.00 0.00 43.02 42.72 3h9m s PHE 394 CO 0.03 -0.76 0.64 -1.21 -1.46 0.00 0.00 175.22 172.46 3h9m s GLU 396 N -3.91 1.59 0.01 10.12 2.02 -1.26 -1.31 118.70 125.96 3h9m s GLU 396 Ca 0.12 -0.88 -0.13 0.00 0.02 0.00 0.00 54.97 54.10 3h9m s GLU 396 Cb 0.02 0.58 0.02 0.00 0.10 0.00 0.00 34.13 34.85 3h9m s GLU 396 CO -0.03 -0.71 0.27 0.00 0.02 0.00 0.00 175.26 174.81 3h9m s ALA 397 N -3.88 -0.65 0.19 5.21 0.00 -0.99 -4.64 121.76 116.99 3h9m s ALA 397 Ca 0.10 0.13 -0.03 0.00 0.00 0.00 0.00 51.96 52.16 3h9m s ALA 397 Cb -0.04 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.24 3h9m s ALA 397 CO 0.01 -0.29 0.29 0.41 0.00 0.00 0.00 175.76 176.18 3h9m n GLY 398 N 1.10 2.32 3.61 0.00 0.00 -1.26 -1.10 105.19 109.86 3h9m n GLY 398 Ca -0.21 -1.41 -0.10 0.00 0.00 0.00 0.00 46.02 44.31 3h9m n GLY 398 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3h9m s SER 399 N -2.10 -0.42 -0.18 1.61 1.04 -0.88 -4.77 113.70 108.00 3h9m s SER 399 Ca 0.13 -0.26 -0.29 0.00 0.48 0.00 0.00 55.95 56.01 3h9m s SER 399 Cb -0.01 0.64 -0.01 0.00 0.10 0.00 0.00 66.02 66.74 3h9m s SER 399 CO 0.10 -1.10 1.27 0.00 0.98 0.00 0.00 173.24 174.48 3h9m s ALA 400 N -3.78 3.63 -0.25 5.32 0.00 -1.26 -1.80 121.76 123.63 3h9m s ALA 400 Ca 0.06 0.42 -0.10 0.00 0.00 0.00 0.00 51.96 52.34 3h9m s ALA 400 Cb -0.03 -3.64 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 3h9m s ALA 400 CO -0.04 -1.24 0.14 0.42 0.00 0.00 0.00 175.76 175.04 3h9m s ILE 401 N 3.60 5.08 0.17 0.00 -1.09 0.12 -4.89 121.20 124.20 3h9m s ILE 401 Ca 0.55 0.08 0.03 0.00 -2.23 0.00 0.00 60.65 59.09 3h9m s ILE 401 Cb -0.21 -3.38 -0.01 0.00 -1.58 0.00 0.00 42.46 37.28 3h9m s ILE 401 CO 0.16 0.33 0.12 0.35 -1.23 0.00 0.00 174.94 174.67 3h9m n THR 402 N 4.54 0.00 0.29 2.92 -2.24 -1.26 -1.32 114.28 117.21 3h9m n THR 402 Ca -0.15 -1.20 0.17 0.00 -2.27 0.00 0.00 64.05 60.60 3h9m n THR 402 Cb 0.52 0.55 0.82 0.00 -2.10 0.00 0.00 70.33 70.12 3h9m n THR 402 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3h9m h SER 403 N 0.96 0.00 0.30 3.42 0.02 -1.98 -2.07 113.55 114.19 3h9m h SER 403 Ca -0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 3h9m h SER 403 Cb 0.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 3h9m h SER 403 CO 0.19 0.00 -0.32 -1.22 -1.14 0.00 0.00 176.83 174.34 3h9m n TYR 404 N -2.72 0.00 -2.83 3.45 4.01 -1.26 -4.94 117.16 112.88 3h9m n TYR 404 Ca -0.01 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.38 3h9m n TYR 404 Cb 0.14 -0.15 -0.07 0.00 -0.31 0.00 0.00 39.34 38.95 3h9m n TYR 404 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3h9m s ALA 405 N -2.63 3.15 -0.07 -0.72 0.00 -0.78 -5.07 121.76 115.63 3h9m s ALA 405 Ca 0.21 0.43 0.05 0.00 0.00 0.00 0.00 51.96 52.66 3h9m s ALA 405 Cb 0.19 -3.14 -0.01 0.00 0.00 0.00 0.00 23.12 20.16 3h9m s ALA 405 CO 0.57 0.17 -0.24 0.15 0.00 0.00 0.00 175.76 176.41 3h9m s LYS 406 N -2.57 2.70 0.18 0.00 -0.14 -1.26 -4.93 119.74 113.72 3h9m s LYS 406 Ca 0.55 -0.89 -0.13 0.00 -1.36 0.00 0.00 55.97 54.15 3h9m s LYS 406 Cb -0.14 -2.22 0.16 0.00 -1.68 0.00 0.00 37.83 33.95 3h9m s LYS 406 CO 0.19 0.34 1.77 0.00 -0.76 0.00 0.00 175.35 176.88 3h9m h ALA 407 N 6.22 0.65 -0.80 5.17 0.00 -1.99 -1.35 119.26 127.16 3h9m h ALA 407 Ca -0.29 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.67 3h9m h ALA 407 Cb 1.19 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 3h9m h ALA 407 CO 0.47 -0.14 0.53 1.05 0.00 0.00 0.00 179.25 181.16 3h9m h GLU 408 N 0.45 1.03 -0.17 0.00 9.09 -1.99 -0.18 114.58 122.81 3h9m h GLU 408 Ca 0.24 -0.06 -0.08 0.00 0.05 0.00 0.00 59.36 59.50 3h9m h GLU 408 Cb 0.19 -0.23 -0.00 0.00 -1.65 0.00 0.00 28.75 27.06 3h9m h GLU 408 CO -0.20 0.68 -0.22 1.15 0.05 0.00 0.00 179.01 180.48 3h9m h THR 409 N 1.06 1.35 -0.13 -1.06 2.02 -1.90 -2.49 112.91 111.76 3h9m h THR 409 Ca 0.30 -1.42 -0.15 0.00 0.77 0.00 0.00 66.41 65.91 3h9m h THR 409 Cb -0.09 1.88 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 3h9m h THR 409 CO -0.08 0.43 -0.57 -0.33 0.37 0.00 0.00 175.52 175.34 3h9m h GLU 410 N 0.08 0.41 -0.09 6.66 4.39 -0.99 -0.76 114.58 124.27 3h9m h GLU 410 Ca 0.02 -0.26 0.01 0.00 0.34 0.00 0.00 59.36 59.47 3h9m h GLU 410 Cb 0.78 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.45 3h9m h GLU 410 CO 0.05 0.87 0.00 -0.92 -1.16 0.00 0.00 179.01 177.85 3h9m h TYR 411 N 0.31 0.00 -0.78 4.33 3.20 -1.07 -1.41 116.97 121.55 3h9m h TYR 411 Ca 0.00 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 3h9m h TYR 411 Cb 1.09 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.34 3h9m h TYR 411 CO 0.03 -0.01 0.46 1.49 -1.64 0.00 0.00 178.16 178.50 3h9m h GLU 412 N 0.04 1.06 -0.52 1.82 4.81 -1.27 -2.35 114.58 118.17 3h9m h GLU 412 Ca 0.04 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3h9m h GLU 412 Cb 0.05 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.18 3h9m h GLU 412 CO -0.07 0.75 0.29 1.49 -0.73 0.00 0.00 179.01 180.74 3h9m h GLU 413 N 1.08 0.72 -0.58 1.92 4.57 -0.81 -0.70 114.58 120.78 3h9m h GLU 413 Ca 0.28 -0.08 0.01 0.00 -1.18 0.00 0.00 59.36 58.39 3h9m h GLU 413 Cb -0.03 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.39 3h9m h GLU 413 CO -0.05 0.55 0.39 0.00 -1.18 0.00 0.00 179.01 178.72 3h9m h LEU 415 N 0.79 0.94 -0.90 0.00 4.07 -1.19 -2.49 115.31 116.52 3h9m h LEU 415 Ca 0.21 -0.29 -0.08 0.00 0.08 0.00 0.00 57.88 57.81 3h9m h LEU 415 Cb -0.09 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.38 3h9m h LEU 415 CO -0.05 1.00 -0.02 -0.07 -1.08 0.00 0.00 178.44 178.22 3h9m h LEU 416 N 0.86 0.76 -1.16 1.67 3.38 -0.86 -2.37 115.31 117.59 3h9m h LEU 416 Ca 0.17 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 3h9m h LEU 416 Cb 0.49 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3h9m h LEU 416 CO 0.02 0.84 -0.36 0.11 0.09 0.00 0.00 178.44 179.13 3h9m h LYS 417 N 0.73 0.10 0.00 1.13 1.57 -0.74 -2.97 116.57 116.39 3h9m h LYS 417 Ca 0.14 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3h9m h LYS 417 Cb 0.48 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3h9m h LYS 417 CO 0.02 0.46 -0.69 0.97 -0.57 0.00 0.00 179.45 179.64 3h9m h ILE 418 N 0.09 0.00 -0.64 1.86 6.09 -1.30 -3.39 117.51 120.21 3h9m h ILE 418 Ca 0.01 -0.87 0.05 0.00 -1.37 0.00 0.00 64.86 62.68 3h9m h ILE 418 Cb 0.69 1.50 -0.05 0.00 0.47 0.00 0.00 36.82 39.43 3h9m h ILE 418 CO 0.05 0.00 0.36 0.74 -3.07 0.00 0.00 178.15 176.23 3h9m h THR 419 N 0.00 1.00 0.00 2.19 2.02 -1.26 -2.66 112.91 114.20 3h9m h THR 419 Ca 0.00 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.95 3h9m h THR 419 Cb 0.93 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 3h9m h THR 419 CO 0.00 0.12 0.00 -2.65 0.37 0.00 0.00 175.52 173.36 3h9m n PRO 420 N -4.78 0.00 0.00 6.66 -0.02 -1.26 -0.40 135.00 135.20 3h9m n PRO 420 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 3h9m n PRO 420 Cb 0.14 -0.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.77 3h9m n PRO 420 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3h9m n ILE 422 N 0.42 0.00 -0.14 4.25 5.41 -1.00 -2.03 119.36 126.26 3h9m n ILE 422 Ca 0.00 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.67 3h9m n ILE 422 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 3h9m n ILE 422 CO 0.00 0.00 0.00 -0.74 0.00 0.00 0.00 176.55 175.81 3h9m h HIS 423 N 0.00 0.57 -0.15 1.39 2.76 -1.00 -2.76 115.15 115.96 3h9m h HIS 423 Ca 0.00 -0.01 -0.06 0.00 -2.20 0.00 0.00 60.37 58.10 3h9m h HIS 423 Cb 0.00 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 28.76 3h9m h HIS 423 CO 0.00 0.43 -0.19 0.82 -1.30 0.00 0.00 177.93 177.69 3h9m h ILE 424 N 0.55 1.21 0.00 6.26 1.08 -1.67 -1.72 117.51 123.22 3h9m h ILE 424 Ca 0.15 -0.96 0.00 0.00 -0.39 0.00 0.00 64.86 63.66 3h9m h ILE 424 Cb 0.04 1.31 0.00 0.00 -3.07 0.00 0.00 36.82 35.10 3h9m h ILE 424 CO -0.02 0.30 0.00 0.18 -0.69 0.00 0.00 178.15 177.91 3h9m n LEU 425 N -4.21 0.00 0.00 1.44 4.77 -1.05 -4.95 117.00 112.99 3h9m n LEU 425 Ca -0.01 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 3h9m n LEU 425 Cb 0.32 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3h9m n LEU 425 CO 0.39 -0.18 0.16 0.59 -1.33 0.00 0.00 177.39 177.02