#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqq s PRO 18 N 0.00 2.07 0.83 7.34 0.04 -1.26 -5.12 135.00 138.90 1sqq s PRO 18 Ca 0.00 0.04 -0.14 0.00 0.04 0.00 0.00 61.00 60.94 1sqq s PRO 18 Cb 0.00 -2.01 0.20 0.00 0.04 0.00 0.00 34.50 32.73 1sqq s PRO 18 CO 0.00 -1.48 0.98 -0.35 0.04 0.00 0.00 177.00 176.19 1sqq n PRO 19 N -3.21 -1.57 0.00 0.56 -0.05 -1.26 -4.94 135.00 124.54 1sqq n PRO 19 Ca 0.08 -1.53 0.00 0.00 -0.05 0.00 0.00 63.50 62.00 1sqq n PRO 19 Cb 0.61 -1.14 0.00 0.00 -0.05 0.00 0.00 33.50 32.92 1sqq n PRO 19 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 175.50 176.17 1sqq n HIS 20 N -3.74 0.00 0.00 0.54 8.25 -1.26 -5.05 115.22 113.96 1sqq n HIS 20 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1sqq n HIS 20 Cb 0.45 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.56 1sqq n HIS 20 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1sqq n PRO 21 N 0.00 0.61 -4.66 -0.41 -0.02 -1.26 -5.10 135.00 124.16 1sqq n PRO 21 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.17 1sqq n PRO 21 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.40 1sqq n PRO 21 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1sqq s GLN 22 N -0.95 2.14 0.04 -0.52 -1.52 -1.26 -5.06 119.66 112.53 1sqq s GLN 22 Ca 0.00 -2.29 -0.01 0.00 -1.95 0.00 0.00 55.36 51.11 1sqq s GLN 22 Cb 0.00 -1.60 -0.04 0.00 -0.22 0.00 0.00 33.01 31.15 1sqq s GLN 22 CO 0.00 -0.28 0.19 -0.51 -0.25 0.00 0.00 175.29 174.44 1sqq s ASP 23 N -3.85 6.31 0.20 5.90 -0.00 -1.26 -4.99 116.67 118.98 1sqq s ASP 23 Ca 0.16 0.28 -0.32 0.00 -0.00 0.00 0.00 52.55 52.67 1sqq s ASP 23 Cb 0.04 -1.94 -0.15 0.00 -0.00 0.00 0.00 42.92 40.86 1sqq s ASP 23 CO 0.08 0.20 1.20 -0.11 -0.00 0.00 0.00 175.17 176.54 1sqq n LEU 24 N 0.48 1.93 -4.71 1.23 0.00 -1.26 -4.69 117.00 109.98 1sqq n LEU 24 Ca -0.07 1.15 -0.35 0.00 0.00 0.00 0.00 56.01 56.74 1sqq n LEU 24 Cb 0.51 -1.27 -0.09 0.00 0.00 0.00 0.00 43.42 42.57 1sqq n LEU 24 CO 0.49 -1.12 -0.29 -1.61 0.00 0.00 0.00 177.39 174.86 1sqq s GLU 25 N -0.52 3.02 -0.08 1.96 0.41 -0.41 -5.00 118.70 118.08 1sqq s GLU 25 Ca 0.70 -0.39 -0.04 0.00 -0.41 0.00 0.00 54.97 54.83 1sqq s GLU 25 Cb -0.79 -2.83 0.04 0.00 -1.78 0.00 0.00 34.13 28.78 1sqq s GLU 25 CO 0.52 0.70 0.18 0.12 -0.49 0.00 0.00 175.26 176.30 1sqq s PHE 26 N -0.92 -0.22 -0.13 1.61 5.36 -1.26 -1.55 117.98 120.87 1sqq s PHE 26 Ca 0.14 0.61 -0.03 0.00 -0.96 0.00 0.00 56.93 56.69 1sqq s PHE 26 Cb -0.11 -0.09 0.05 0.00 -0.34 0.00 0.00 43.02 42.52 1sqq s PHE 26 CO 0.03 -0.21 0.05 0.99 -1.46 0.00 0.00 175.22 174.62 1sqq s THR 27 N 1.50 0.20 -0.14 0.12 2.01 -0.18 -5.00 115.64 114.15 1sqq s THR 27 Ca -0.06 -0.11 -0.29 0.00 0.31 0.00 0.00 61.69 61.54 1sqq s THR 27 Cb -0.11 -0.63 -0.01 0.00 0.01 0.00 0.00 72.50 71.76 1sqq s THR 27 CO -0.07 -0.05 1.12 -0.13 -0.69 0.00 0.00 174.62 174.80 1sqq s ARG 28 N 2.02 4.32 0.53 4.92 0.52 -1.26 -1.39 118.95 128.62 1sqq s ARG 28 Ca 0.02 1.51 -0.11 0.00 -0.52 0.00 0.00 55.73 56.63 1sqq s ARG 28 Cb -0.15 -3.62 -0.05 0.00 0.52 0.00 0.00 34.95 31.65 1sqq s ARG 28 CO -0.07 -0.51 0.92 -0.51 0.02 0.00 0.00 175.30 175.15 1sqq s LEU 29 N 2.69 3.51 0.29 2.53 1.43 0.98 -4.99 118.68 125.10 1sqq s LEU 29 Ca 0.50 1.30 0.25 0.00 -1.03 0.00 0.00 54.13 55.16 1sqq s LEU 29 Cb -0.20 -4.28 0.97 0.00 0.03 0.00 0.00 46.19 42.71 1sqq s LEU 29 CO 0.15 -0.66 1.75 -0.65 0.23 0.00 0.00 176.35 177.17 1sqq h PRO 30 N 0.35 0.00 -0.08 1.29 0.11 -1.97 -0.87 132.00 130.83 1sqq h PRO 30 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1sqq h PRO 30 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1sqq h PRO 30 CO 0.62 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.68 1sqq n ASN 31 N -2.37 0.75 0.00 -2.05 0.23 -1.26 -4.92 115.26 105.64 1sqq n ASN 31 Ca 0.03 -1.57 0.00 0.00 -0.53 0.00 0.00 54.58 52.51 1sqq n ASN 31 Cb 0.29 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 37.94 1sqq n ASN 31 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1sqq n GLY 32 N 0.93 0.55 3.77 4.83 0.00 -0.33 -3.24 105.19 111.70 1sqq n GLY 32 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1sqq n GLY 32 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sqq s LEU 33 N 0.00 4.21 -0.03 0.99 2.96 -1.17 -4.55 118.68 121.09 1sqq s LEU 33 Ca 0.00 2.82 0.03 0.00 -0.22 0.00 0.00 54.13 56.76 1sqq s LEU 33 Cb 0.00 -3.85 -0.03 0.00 0.50 0.00 0.00 46.19 42.81 1sqq s LEU 33 CO 0.00 -0.95 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.29 1sqq s VAL 34 N -1.21 3.41 -0.08 1.68 1.01 -1.18 -0.02 120.40 124.03 1sqq s VAL 34 Ca 0.57 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.87 1sqq s VAL 34 Cb -0.42 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 33.57 1sqq s VAL 34 CO 0.54 0.52 -0.11 -0.63 0.00 0.00 0.00 175.10 175.42 1sqq s ILE 35 N -0.85 1.10 -0.02 2.22 1.09 -0.48 -0.80 121.20 123.46 1sqq s ILE 35 Ca 0.14 -0.43 0.03 0.00 -1.10 0.00 0.00 60.65 59.29 1sqq s ILE 35 Cb -0.11 -1.03 -0.00 0.00 -1.06 0.00 0.00 42.46 40.26 1sqq s ILE 35 CO 0.03 0.35 -0.11 0.00 -0.10 0.00 0.00 174.94 175.12 1sqq s ALA 36 N 0.89 0.98 0.05 9.38 0.00 -0.94 -1.01 121.76 131.11 1sqq s ALA 36 Ca -0.10 -0.45 0.04 0.00 0.00 0.00 0.00 51.96 51.45 1sqq s ALA 36 Cb -0.15 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 1sqq s ALA 36 CO 0.01 0.20 -0.11 -1.54 0.00 0.00 0.00 175.76 174.32 1sqq s SER 37 N -0.03 1.26 -0.07 0.00 1.04 -0.59 -0.39 113.70 114.92 1sqq s SER 37 Ca 0.00 -0.54 0.04 0.00 0.48 0.00 0.00 55.95 55.93 1sqq s SER 37 Cb -0.07 -0.02 -0.02 0.00 0.10 0.00 0.00 66.02 66.01 1sqq s SER 37 CO 0.00 -0.11 -0.17 -0.22 0.98 0.00 0.00 173.24 173.73 1sqq s LEU 38 N -1.50 2.57 -1.17 2.42 0.20 -0.67 -1.29 118.68 119.24 1sqq s LEU 38 Ca -0.05 -0.29 -0.10 0.00 0.69 0.00 0.00 54.13 54.38 1sqq s LEU 38 Cb -0.09 -1.52 0.23 0.00 -0.43 0.00 0.00 46.19 44.38 1sqq s LEU 38 CO 0.01 0.29 1.43 1.21 -0.29 0.00 0.00 176.35 179.01 1sqq n GLU 39 N 2.67 3.69 -2.33 1.98 4.07 -1.26 -0.54 120.64 128.93 1sqq n GLU 39 Ca -0.17 -4.11 -0.42 0.00 -0.06 0.00 0.00 57.16 52.39 1sqq n GLU 39 Cb 0.52 -2.77 -0.03 0.00 -0.06 0.00 0.00 31.44 29.11 1sqq n GLU 39 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1sqq s ASN 40 N 1.08 6.97 0.00 4.31 6.03 -1.26 -4.14 114.94 127.93 1sqq s ASN 40 Ca 0.36 2.08 -0.01 0.00 -1.03 0.00 0.00 52.86 54.26 1sqq s ASN 40 Cb -0.01 -2.57 -0.04 0.00 -3.03 0.00 0.00 41.25 35.59 1sqq s ASN 40 CO -0.00 -0.58 2.24 -1.22 -2.03 0.00 0.00 177.10 175.51 1sqq n TYR 41 N 4.40 0.00 -2.53 1.54 4.01 -1.26 -4.15 117.16 119.16 1sqq n TYR 41 Ca 0.11 -1.07 -0.35 0.00 -0.16 0.00 0.00 57.90 56.43 1sqq n TYR 41 Cb 0.45 -0.67 -0.04 0.00 -0.31 0.00 0.00 39.34 38.78 1sqq n TYR 41 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sqq s ALA 42 N 0.17 2.96 0.54 -0.72 0.00 -1.26 -4.95 121.76 118.49 1sqq s ALA 42 Ca 0.10 0.66 0.23 0.00 0.00 0.00 0.00 51.96 52.95 1sqq s ALA 42 Cb 0.05 -3.27 1.41 0.00 0.00 0.00 0.00 23.12 21.31 1sqq s ALA 42 CO 0.00 -0.29 2.07 -1.35 0.00 0.00 0.00 175.76 176.19 1sqq h PRO 43 N 1.95 0.00 -5.51 0.00 0.11 -1.99 -3.45 132.00 123.11 1sqq h PRO 43 Ca -0.49 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 64.98 1sqq h PRO 43 Cb 1.22 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.22 1sqq h PRO 43 CO 0.60 0.00 -0.50 0.00 -0.21 0.00 0.00 178.00 177.90 1sqq s ALA 44 N -4.96 3.89 0.04 -0.75 0.00 -1.26 -2.48 121.76 116.24 1sqq s ALA 44 Ca -0.05 -1.18 0.04 0.00 0.00 0.00 0.00 51.96 50.77 1sqq s ALA 44 Cb 0.18 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.15 1sqq s ALA 44 CO 0.67 -0.13 -0.11 -1.12 0.00 0.00 0.00 175.76 175.07 1sqq s SER 45 N -3.91 1.25 -0.10 0.00 0.01 0.41 -4.66 113.70 106.70 1sqq s SER 45 Ca 0.22 -0.48 -0.00 0.00 1.31 0.00 0.00 55.95 56.99 1sqq s SER 45 Cb 0.03 -0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.25 1sqq s SER 45 CO 0.12 -0.07 -0.07 -0.13 0.41 0.00 0.00 173.24 173.50 1sqq s ARG 46 N -1.31 1.40 -0.17 12.44 0.52 -0.72 -2.47 118.95 128.65 1sqq s ARG 46 Ca -0.03 -0.22 -0.00 0.00 -0.52 0.00 0.00 55.73 54.96 1sqq s ARG 46 Cb -0.08 -1.46 0.00 0.00 0.52 0.00 0.00 34.95 33.93 1sqq s ARG 46 CO 0.01 -0.23 -0.15 0.42 0.02 0.00 0.00 175.30 175.37 1sqq s ILE 47 N 1.59 2.61 -0.06 1.52 -1.09 -0.78 0.29 121.20 125.28 1sqq s ILE 47 Ca 0.02 -0.78 0.03 0.00 -2.23 0.00 0.00 60.65 57.69 1sqq s ILE 47 Cb -0.13 -2.11 -0.02 0.00 -1.58 0.00 0.00 42.46 38.61 1sqq s ILE 47 CO -0.06 0.51 -0.14 -0.83 -1.23 0.00 0.00 174.94 173.19 1sqq s GLY 48 N 0.99 1.54 -0.37 6.18 0.00 -0.36 -0.45 107.32 114.86 1sqq s GLY 48 Ca -0.02 -0.96 -0.11 0.00 0.00 0.00 0.00 44.72 43.63 1sqq s GLY 48 CO -0.03 -0.69 0.20 -2.27 0.00 0.00 0.00 173.10 170.31 1sqq s LEU 49 N -0.58 4.64 -0.15 0.66 2.96 0.16 -0.94 118.68 125.43 1sqq s LEU 49 Ca 0.08 -0.95 -0.10 0.00 -0.22 0.00 0.00 54.13 52.94 1sqq s LEU 49 Cb -0.11 -2.01 -0.05 0.00 0.50 0.00 0.00 46.19 44.52 1sqq s LEU 49 CO 0.01 -0.36 0.20 -0.36 -1.32 0.00 0.00 176.35 174.52 1sqq s PHE 50 N 1.55 3.51 -0.07 5.38 0.40 -0.07 -1.67 117.98 127.01 1sqq s PHE 50 Ca 0.02 0.51 0.01 0.00 -0.60 0.00 0.00 56.93 56.87 1sqq s PHE 50 Cb -0.19 -2.15 0.02 0.00 0.51 0.00 0.00 43.02 41.21 1sqq s PHE 50 CO 0.06 0.44 -0.06 0.42 0.70 0.00 0.00 175.22 176.79 1sqq s ILE 51 N -0.14 0.73 -0.75 0.64 1.01 0.82 -0.70 121.20 122.81 1sqq s ILE 51 Ca 0.13 -0.18 -0.26 0.00 0.00 0.00 0.00 60.65 60.34 1sqq s ILE 51 Cb -0.12 -0.75 -0.12 0.00 0.01 0.00 0.00 42.46 41.48 1sqq s ILE 51 CO 0.02 0.29 2.38 -0.54 0.00 0.00 0.00 174.94 177.09 1sqq s LYS 52 N 1.22 1.74 0.00 2.79 1.02 0.03 -1.12 119.74 125.42 1sqq s LYS 52 Ca -0.06 0.59 0.00 0.00 0.02 0.00 0.00 55.97 56.52 1sqq s LYS 52 Cb -0.14 -4.77 0.00 0.00 -0.52 0.00 0.00 37.83 32.41 1sqq s LYS 52 CO -0.02 -4.20 0.01 0.00 -0.92 0.00 0.00 175.35 170.22 1sqq n ALA 53 N 17.94 0.05 -0.98 5.17 0.00 -1.08 -4.77 120.51 136.84 1sqq n ALA 53 Ca 0.45 -0.01 -0.38 0.00 0.00 0.00 0.00 53.44 53.50 1sqq n ALA 53 Cb 0.45 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.94 1sqq n ALA 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sqq n GLY 54 N 0.00 -3.14 0.29 0.00 0.00 -0.68 -4.74 105.19 96.92 1sqq n GLY 54 Ca 0.00 -0.21 0.16 0.00 0.00 0.00 0.00 46.02 45.97 1sqq n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1sqq h SER 55 N -1.05 0.00 0.29 1.61 4.64 -1.55 -2.59 113.55 114.90 1sqq h SER 55 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1sqq h SER 55 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1sqq h SER 55 CO 0.22 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 174.07 1sqq n ARG 56 N -2.76 0.15 0.00 4.77 1.85 -0.29 -2.26 116.66 118.12 1sqq n ARG 56 Ca -0.02 0.54 0.07 0.00 -1.00 0.00 0.00 57.85 57.44 1sqq n ARG 56 Cb 0.23 -1.89 0.00 0.00 -1.05 0.00 0.00 32.46 29.75 1sqq n ARG 56 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 1sqq n TYR 57 N -2.18 0.00 -1.76 2.89 4.02 -0.98 -4.69 117.16 114.46 1sqq n TYR 57 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.52 1sqq n TYR 57 Cb 0.11 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 39.50 1sqq n TYR 57 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 1sqq s GLU 58 N -1.75 2.58 0.50 -0.72 2.02 -0.96 -5.10 118.70 115.27 1sqq s GLU 58 Ca 0.13 2.05 0.02 0.00 0.02 0.00 0.00 54.97 57.18 1sqq s GLU 58 Cb 0.12 -1.85 -0.01 0.00 0.10 0.00 0.00 34.13 32.48 1sqq s GLU 58 CO 0.36 -1.57 0.02 0.54 0.02 0.00 0.00 175.26 174.63 1sqq s ASN 59 N -1.41 3.92 0.40 -0.19 2.20 -1.26 -5.00 114.94 113.61 1sqq s ASN 59 Ca 0.82 -1.66 0.27 0.00 -0.94 0.00 0.00 52.86 51.35 1sqq s ASN 59 Cb -0.37 0.53 1.40 0.00 -2.00 0.00 0.00 41.25 40.81 1sqq s ASN 59 CO 0.39 -0.87 1.53 -1.20 -2.94 0.00 0.00 177.10 174.01 1sqq n SER 60 N -1.28 0.26 0.14 3.54 7.64 -1.26 -0.37 113.62 122.29 1sqq n SER 60 Ca -0.17 1.46 0.12 0.00 1.01 0.00 0.00 58.87 61.28 1sqq n SER 60 Cb 0.67 -0.71 0.14 0.00 -1.01 0.00 0.00 64.21 63.30 1sqq n SER 60 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1sqq h ASN 61 N 0.00 0.00 0.00 6.43 2.35 -2.03 -3.39 115.58 118.94 1sqq h ASN 61 Ca 0.85 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 56.52 1sqq h ASN 61 Cb 2.54 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 40.81 1sqq h ASN 61 CO -0.57 0.02 -0.53 -0.46 -1.65 0.00 0.00 177.43 174.23 1sqq n ASN 62 N -2.70 1.50 -4.78 5.81 6.94 0.50 -5.08 115.26 117.45 1sqq n ASN 62 Ca 0.03 -3.12 -0.41 0.00 -0.02 0.00 0.00 54.58 51.06 1sqq n ASN 62 Cb 0.51 -0.43 -0.00 0.00 -2.36 0.00 0.00 39.78 37.50 1sqq n ASN 62 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1sqq s LEU 63 N -2.09 4.32 0.00 -4.53 1.43 -1.08 -1.84 118.68 114.89 1sqq s LEU 63 Ca 0.32 3.02 0.00 0.00 -1.03 0.00 0.00 54.13 56.44 1sqq s LEU 63 Cb 0.32 -3.67 0.00 0.00 0.03 0.00 0.00 46.19 42.87 1sqq s LEU 63 CO -0.07 -0.85 0.00 0.61 0.23 0.00 0.00 176.35 176.27 1sqq n GLY 64 N 0.49 1.02 0.24 -3.19 0.00 -1.26 -4.73 105.19 97.75 1sqq n GLY 64 Ca 0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.05 1sqq n GLY 64 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1sqq h THR 65 N 0.00 1.19 0.00 2.61 2.02 -1.79 0.94 112.91 117.88 1sqq h THR 65 Ca 0.00 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.32 1sqq h THR 65 Cb 0.00 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1sqq h THR 65 CO 0.00 0.26 -0.28 -1.54 0.37 0.00 0.00 175.52 174.33 1sqq n SER 66 N -4.25 0.43 -0.07 4.18 3.41 -1.26 -1.58 113.62 114.48 1sqq n SER 66 Ca -0.01 0.21 -0.11 0.00 -0.26 0.00 0.00 58.87 58.70 1sqq n SER 66 Cb 0.29 -0.18 -0.09 0.00 -0.26 0.00 0.00 64.21 63.96 1sqq n SER 66 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1sqq h HIS 67 N 0.00 0.00 -1.00 7.33 6.17 -1.16 -2.11 115.15 124.38 1sqq h HIS 67 Ca 0.00 0.00 0.21 0.00 0.71 0.00 0.00 60.37 61.29 1sqq h HIS 67 Cb 0.59 0.00 -0.10 0.00 2.52 0.00 0.00 27.41 30.42 1sqq h HIS 67 CO 0.00 0.74 0.62 1.25 0.71 0.00 0.00 177.93 181.25 1sqq h LEU 68 N -1.00 0.67 -0.15 0.26 5.85 -1.21 0.11 115.31 119.84 1sqq h LEU 68 Ca -0.03 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1sqq h LEU 68 Cb 0.75 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 1sqq h LEU 68 CO -0.02 0.21 0.07 0.25 -0.34 0.00 0.00 178.44 178.61 1sqq h LEU 69 N 0.64 0.20 -1.68 2.25 6.46 -1.32 -0.41 115.31 121.45 1sqq h LEU 69 Ca 0.58 -0.13 0.21 0.00 -0.12 0.00 0.00 57.88 58.42 1sqq h LEU 69 Cb 1.08 -0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 40.90 1sqq h LEU 69 CO -0.36 0.27 0.58 -0.09 -0.62 0.00 0.00 178.44 178.22 1sqq h ARG 70 N 0.11 0.26 0.00 1.25 2.43 -0.07 0.25 114.38 118.62 1sqq h ARG 70 Ca 0.05 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1sqq h ARG 70 Cb 0.13 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1sqq h ARG 70 CO -0.01 0.18 -0.32 1.28 -1.51 0.00 0.00 179.97 179.59 1sqq n LEU 71 N -4.44 0.69 -1.43 3.80 4.77 -0.22 -4.08 117.00 116.09 1sqq n LEU 71 Ca 0.18 0.38 0.08 0.00 -0.03 0.00 0.00 56.01 56.61 1sqq n LEU 71 Cb 0.73 -0.26 0.31 0.00 -2.33 0.00 0.00 43.42 41.87 1sqq n LEU 71 CO 0.33 -0.09 0.76 0.00 -1.33 0.00 0.00 177.39 177.06 1sqq n ALA 72 N -1.77 3.03 1.16 -1.18 0.00 0.90 -4.54 120.51 118.11 1sqq n ALA 72 Ca 0.05 -1.37 0.11 0.00 0.00 0.00 0.00 53.44 52.22 1sqq n ALA 72 Cb 0.42 -1.03 0.58 0.00 0.00 0.00 0.00 19.45 19.43 1sqq n ALA 72 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1sqq n SER 73 N 0.96 0.00 -0.25 0.00 3.41 -1.25 -2.35 113.62 114.15 1sqq n SER 73 Ca 0.22 -0.33 0.02 0.00 -0.26 0.00 0.00 58.87 58.52 1sqq n SER 73 Cb 0.79 -0.15 0.03 0.00 -0.26 0.00 0.00 64.21 64.62 1sqq n SER 73 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1sqq n SER 74 N -1.15 0.64 -4.72 4.04 3.41 -1.26 -4.91 113.62 109.68 1sqq n SER 74 Ca 0.13 -1.96 -0.31 0.00 -0.26 0.00 0.00 58.87 56.47 1sqq n SER 74 Cb 0.12 -0.17 0.13 0.00 -0.26 0.00 0.00 64.21 64.03 1sqq n SER 74 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1sqq s LEU 75 N -0.64 2.94 0.19 1.04 1.43 -0.99 -4.27 118.68 118.38 1sqq s LEU 75 Ca 0.06 2.02 -0.31 0.00 -1.03 0.00 0.00 54.13 54.87 1sqq s LEU 75 Cb 0.05 -4.55 -0.09 0.00 0.03 0.00 0.00 46.19 41.64 1sqq s LEU 75 CO 0.01 -2.59 1.41 0.42 0.23 0.00 0.00 176.35 175.83 1sqq s THR 76 N -2.77 2.96 0.39 5.49 -4.23 -1.26 -4.48 115.64 111.75 1sqq s THR 76 Ca 0.64 0.75 0.08 0.00 -1.18 0.00 0.00 61.69 61.98 1sqq s THR 76 Cb -0.20 -3.48 -0.01 0.00 1.34 0.00 0.00 72.50 70.15 1sqq s THR 76 CO 0.57 0.09 0.47 0.42 -0.54 0.00 0.00 174.62 175.64 1sqq s THR 77 N 0.47 3.20 0.07 3.99 -4.23 0.11 -2.21 115.64 117.04 1sqq s THR 77 Ca 0.61 -1.12 -0.31 0.00 -1.18 0.00 0.00 61.69 59.70 1sqq s THR 77 Cb -0.39 -3.10 -0.07 0.00 1.34 0.00 0.00 72.50 70.27 1sqq s THR 77 CO 0.37 -0.05 1.51 -0.54 -0.54 0.00 0.00 174.62 175.37 1sqq s LYS 78 N -4.22 4.25 0.00 3.99 1.02 -0.82 -1.51 119.74 122.44 1sqq s LYS 78 Ca 0.50 2.17 0.00 0.00 0.02 0.00 0.00 55.97 58.66 1sqq s LYS 78 Cb -0.08 -3.48 0.00 0.00 -0.52 0.00 0.00 37.83 33.75 1sqq s LYS 78 CO 0.31 -0.61 0.00 0.41 -0.92 0.00 0.00 175.35 174.53 1sqq n GLY 79 N 3.76 0.00 2.87 -3.33 0.00 -1.26 -4.91 105.19 102.33 1sqq n GLY 79 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 1sqq n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqq s ALA 80 N -1.46 -0.64 0.54 4.61 0.00 -0.57 -5.07 121.76 119.17 1sqq s ALA 80 Ca 0.00 0.65 -0.19 0.00 0.00 0.00 0.00 51.96 52.42 1sqq s ALA 80 Cb 0.00 -1.39 -0.09 0.00 0.00 0.00 0.00 23.12 21.64 1sqq s ALA 80 CO 0.00 -1.11 0.62 -1.13 0.00 0.00 0.00 175.76 174.14 1sqq n SER 81 N 5.34 -0.59 -0.28 0.00 3.41 -1.24 0.08 113.62 120.34 1sqq n SER 81 Ca -0.05 0.80 -0.00 0.00 -0.26 0.00 0.00 58.87 59.35 1sqq n SER 81 Cb 0.50 -1.21 0.06 0.00 -0.26 0.00 0.00 64.21 63.30 1sqq n SER 81 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1sqq h SER 82 N 0.47 -1.00 -0.20 4.04 0.87 -1.79 -0.97 113.55 114.98 1sqq h SER 82 Ca -0.45 0.25 0.05 0.00 -1.23 0.00 0.00 61.79 60.42 1sqq h SER 82 Cb 1.39 0.57 -0.06 0.00 -0.44 0.00 0.00 62.40 63.86 1sqq h SER 82 CO 0.49 -0.28 -0.19 0.15 -0.53 0.00 0.00 176.83 176.47 1sqq h PHE 83 N -0.05 -0.48 -0.58 2.24 3.57 -1.92 -0.59 116.94 119.13 1sqq h PHE 83 Ca 0.34 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.92 1sqq h PHE 83 Cb 0.58 0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.52 1sqq h PHE 83 CO -0.68 -0.26 0.31 -0.22 -2.23 0.00 0.00 178.31 175.22 1sqq h LYS 84 N -0.20 0.57 -0.40 1.11 3.64 -1.59 0.28 116.57 119.98 1sqq h LYS 84 Ca 0.12 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1sqq h LYS 84 Cb 0.38 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 1sqq h LYS 84 CO -0.32 0.37 0.24 0.82 -2.27 0.00 0.00 179.45 178.30 1sqq h ILE 85 N 0.58 1.06 0.58 2.00 2.04 -0.02 0.91 117.51 124.66 1sqq h ILE 85 Ca 0.26 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.92 1sqq h ILE 85 Cb 0.15 0.53 0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1sqq h ILE 85 CO -0.17 0.09 -0.28 0.74 0.00 0.00 0.00 178.15 178.54 1sqq h THR 86 N 0.49 0.42 -0.16 -0.27 2.02 -1.05 -2.57 112.91 111.79 1sqq h THR 86 Ca 0.15 -0.08 -0.20 0.00 0.77 0.00 0.00 66.41 67.06 1sqq h THR 86 Cb -0.01 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 1sqq h THR 86 CO -0.06 0.01 -0.69 0.03 0.37 0.00 0.00 175.52 175.18 1sqq h ARG 87 N -0.82 0.66 -0.73 6.66 2.47 0.11 -1.74 114.38 120.98 1sqq h ARG 87 Ca -0.08 -0.49 0.00 0.00 -1.26 0.00 0.00 59.98 58.15 1sqq h ARG 87 Cb 0.61 0.09 -0.04 0.00 -1.65 0.00 0.00 29.97 28.99 1sqq h ARG 87 CO 0.13 1.11 0.46 0.78 0.56 0.00 0.00 179.97 183.01 1sqq h GLY 88 N 0.87 1.04 1.01 0.04 0.00 0.76 -0.94 103.07 105.85 1sqq h GLY 88 Ca -0.03 -0.41 -0.22 0.00 0.00 0.00 0.00 47.33 46.68 1sqq h GLY 88 CO 0.13 0.40 -0.84 -2.22 0.00 0.00 0.00 176.54 174.01 1sqq h ILE 89 N 0.99 1.35 -0.01 2.60 2.04 -1.21 -3.16 117.51 120.10 1sqq h ILE 89 Ca 0.26 -2.18 -0.05 0.00 1.00 0.00 0.00 64.86 63.89 1sqq h ILE 89 Cb -0.07 2.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 1sqq h ILE 89 CO -0.05 0.65 -0.25 -0.33 0.00 0.00 0.00 178.15 178.17 1sqq h GLU 90 N 0.16 0.02 -0.08 2.37 5.08 -1.32 0.00 114.58 120.80 1sqq h GLU 90 Ca -0.11 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1sqq h GLU 90 Cb 1.53 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 1sqq h GLU 90 CO 0.17 0.26 -0.02 0.00 -1.00 0.00 0.00 179.01 178.42 1sqq h ALA 91 N 1.74 1.81 -0.02 3.43 0.00 -1.13 -2.19 119.26 122.90 1sqq h ALA 91 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1sqq h ALA 91 Cb 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1sqq h ALA 91 CO 0.03 0.15 -0.35 1.33 0.00 0.00 0.00 179.25 180.41 1sqq n VAL 92 N -4.44 0.00 -1.45 0.00 0.24 -0.96 -4.96 118.33 106.76 1sqq n VAL 92 Ca -0.02 -0.33 -0.04 0.00 -2.04 0.00 0.00 64.34 61.92 1sqq n VAL 92 Cb 0.15 1.28 -0.01 0.00 -1.47 0.00 0.00 33.84 33.78 1sqq n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1sqq n GLY 93 N 1.31 0.53 3.50 7.63 0.00 -0.81 -4.80 105.19 112.55 1sqq n GLY 93 Ca 0.09 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 1sqq n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqq n GLY 94 N -1.98 -2.46 3.03 -0.02 0.00 -0.08 -4.85 105.19 98.83 1sqq n GLY 94 Ca -0.04 -1.55 -0.12 0.00 0.00 0.00 0.00 46.02 44.31 1sqq n GLY 94 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sqq s LYS 95 N -5.52 0.18 -0.06 1.61 2.20 0.32 -4.67 119.74 113.81 1sqq s LYS 95 Ca 0.70 0.20 0.00 0.00 -0.36 0.00 0.00 55.97 56.52 1sqq s LYS 95 Cb -0.06 0.09 0.02 0.00 -1.51 0.00 0.00 37.83 36.38 1sqq s LYS 95 CO 0.53 -0.02 -0.03 -1.17 -0.36 0.00 0.00 175.35 174.30 1sqq s LEU 96 N 0.06 1.05 0.01 5.43 2.96 -1.26 -1.34 118.68 125.59 1sqq s LEU 96 Ca -0.00 -0.11 -0.08 0.00 -0.22 0.00 0.00 54.13 53.72 1sqq s LEU 96 Cb -0.01 -0.45 0.00 0.00 0.50 0.00 0.00 46.19 46.23 1sqq s LEU 96 CO 0.00 -0.11 0.14 -0.94 -1.32 0.00 0.00 176.35 174.13 1sqq s SER 97 N 1.32 0.03 -0.08 3.68 1.04 -0.58 -5.04 113.70 114.08 1sqq s SER 97 Ca -0.05 -0.24 0.03 0.00 0.48 0.00 0.00 55.95 56.18 1sqq s SER 97 Cb -0.13 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1sqq s SER 97 CO -0.02 -0.40 -0.18 0.54 0.98 0.00 0.00 173.24 174.16 1sqq s VAL 98 N -1.56 1.60 -0.37 5.02 0.11 -1.26 -1.29 120.40 122.65 1sqq s VAL 98 Ca -0.13 -0.76 0.01 0.00 -2.93 0.00 0.00 61.98 58.16 1sqq s VAL 98 Cb -0.07 -1.41 0.11 0.00 -1.53 0.00 0.00 36.38 33.48 1sqq s VAL 98 CO 0.01 0.46 0.12 -0.89 -3.33 0.00 0.00 175.10 171.47 1sqq s THR 99 N 0.42 2.73 0.23 5.04 2.01 -0.74 -4.95 115.64 120.38 1sqq s THR 99 Ca -0.15 -2.24 -0.30 0.00 0.31 0.00 0.00 61.69 59.32 1sqq s THR 99 Cb -0.16 -2.94 -0.09 0.00 0.01 0.00 0.00 72.50 69.31 1sqq s THR 99 CO 0.06 -0.65 1.28 -0.44 -0.69 0.00 0.00 174.62 174.18 1sqq s SER 100 N 1.29 6.92 0.15 3.53 0.01 -1.26 -1.86 113.70 122.48 1sqq s SER 100 Ca 0.10 2.44 0.01 0.00 1.31 0.00 0.00 55.95 59.81 1sqq s SER 100 Cb -0.21 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.41 1sqq s SER 100 CO -0.06 -0.48 0.09 0.35 0.41 0.00 0.00 173.24 173.55 1sqq n THR 101 N 2.09 0.00 0.55 1.44 -2.24 -0.39 -5.01 114.28 110.72 1sqq n THR 101 Ca 0.04 -0.63 0.13 0.00 -2.27 0.00 0.00 64.05 61.31 1sqq n THR 101 Cb 0.43 -0.25 0.44 0.00 -2.10 0.00 0.00 70.33 68.85 1sqq n THR 101 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1sqq n ARG 102 N -0.75 0.23 -0.08 -0.78 1.74 -1.26 -3.65 116.66 112.11 1sqq n ARG 102 Ca -0.02 0.28 -0.13 0.00 -0.77 0.00 0.00 57.85 57.22 1sqq n ARG 102 Cb 0.18 -1.82 -0.07 0.00 -1.02 0.00 0.00 32.46 29.72 1sqq n ARG 102 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1sqq n GLU 103 N -2.23 0.41 -4.29 5.56 1.02 -1.26 -1.13 120.64 118.72 1sqq n GLU 103 Ca 0.04 0.11 -0.15 0.00 -0.02 0.00 0.00 57.16 57.13 1sqq n GLU 103 Cb 0.35 -1.30 -0.10 0.00 -0.02 0.00 0.00 31.44 30.37 1sqq n GLU 103 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1sqq s ASN 104 N -5.76 1.54 0.04 1.62 -0.87 -1.24 -1.68 114.94 108.59 1sqq s ASN 104 Ca -0.23 -1.20 0.08 0.00 -1.57 0.00 0.00 52.86 49.94 1sqq s ASN 104 Cb 0.06 0.06 -0.03 0.00 -0.02 0.00 0.00 41.25 41.33 1sqq s ASN 104 CO 0.37 -0.54 -0.24 -0.04 -2.57 0.00 0.00 177.10 174.08 1sqq s MET 105 N -3.89 1.67 -0.27 -0.60 -1.94 -0.27 -1.26 119.30 112.74 1sqq s MET 105 Ca 0.27 -1.03 -0.02 0.00 -1.71 0.00 0.00 55.69 53.20 1sqq s MET 105 Cb 0.06 -1.81 0.09 0.00 2.01 0.00 0.00 34.83 35.17 1sqq s MET 105 CO 0.07 0.47 0.08 0.00 -0.01 0.00 0.00 175.02 175.63 1sqq s ALA 106 N -0.78 1.27 -0.48 3.03 0.00 -0.78 -0.12 121.76 123.90 1sqq s ALA 106 Ca 0.10 -1.31 -0.27 0.00 0.00 0.00 0.00 51.96 50.49 1sqq s ALA 106 Cb -0.10 -1.46 0.03 0.00 0.00 0.00 0.00 23.12 21.59 1sqq s ALA 106 CO 0.02 -1.51 1.03 0.71 0.00 0.00 0.00 175.76 176.01 1sqq s TYR 107 N 1.75 2.85 0.12 0.00 1.51 -0.67 -1.79 117.35 121.12 1sqq s TYR 107 Ca 0.06 0.51 0.08 0.00 -1.01 0.00 0.00 57.07 56.72 1sqq s TYR 107 Cb -0.17 -4.21 -0.04 0.00 -0.11 0.00 0.00 41.96 37.43 1sqq s TYR 107 CO -0.22 -1.22 -0.14 0.95 -1.11 0.00 0.00 175.55 173.81 1sqq s THR 108 N 4.14 3.05 -0.03 -0.71 -4.23 -0.41 0.41 115.64 117.86 1sqq s THR 108 Ca 0.42 -1.46 -0.01 0.00 -1.18 0.00 0.00 61.69 59.46 1sqq s THR 108 Cb -0.09 -2.42 0.03 0.00 1.34 0.00 0.00 72.50 71.36 1sqq s THR 108 CO 0.29 0.07 0.05 0.54 -0.54 0.00 0.00 174.62 175.02 1sqq s VAL 109 N -1.25 -0.05 -0.03 2.29 0.11 0.41 -1.53 120.40 120.34 1sqq s VAL 109 Ca 0.20 0.18 -0.00 0.00 -2.93 0.00 0.00 61.98 59.43 1sqq s VAL 109 Cb -0.10 -0.10 0.03 0.00 -1.53 0.00 0.00 36.38 34.67 1sqq s VAL 109 CO 0.12 0.07 0.01 -0.70 -3.33 0.00 0.00 175.10 171.28 1sqq s GLU 110 N 0.94 0.23 0.28 1.54 2.12 -0.45 -1.86 118.70 121.50 1sqq s GLU 110 Ca -0.08 0.14 -0.19 0.00 0.36 0.00 0.00 54.97 55.20 1sqq s GLU 110 Cb -0.11 -0.51 0.02 0.00 0.26 0.00 0.00 34.13 33.79 1sqq s GLU 110 CO -0.03 -0.19 0.68 0.00 -0.54 0.00 0.00 175.26 175.18 1sqq s LEU 112 N -2.95 3.15 0.46 0.00 1.43 -1.26 0.16 118.68 119.66 1sqq s LEU 112 Ca 0.14 2.04 0.20 0.00 -1.03 0.00 0.00 54.13 55.47 1sqq s LEU 112 Cb -0.05 -4.55 1.13 0.00 0.03 0.00 0.00 46.19 42.75 1sqq s LEU 112 CO 0.08 -2.16 1.99 0.08 0.23 0.00 0.00 176.35 176.57 1sqq h ARG 113 N -0.78 0.00 0.00 1.70 0.11 -1.76 -2.39 114.38 111.26 1sqq h ARG 113 Ca -0.45 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.63 1sqq h ARG 113 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 1sqq h ARG 113 CO 0.50 0.20 0.00 -0.25 0.10 0.00 0.00 179.97 180.52 1sqq n ASP 114 N -3.98 0.00 0.00 0.08 10.43 -1.26 -2.50 116.55 119.32 1sqq n ASP 114 Ca -0.02 0.29 0.00 0.00 2.57 0.00 0.00 54.79 57.63 1sqq n ASP 114 Cb 0.28 -0.38 0.00 0.00 1.84 0.00 0.00 41.12 42.85 1sqq n ASP 114 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1sqq n ASP 115 N -1.38 1.30 -0.27 -2.24 8.00 -0.90 -4.77 116.55 116.29 1sqq n ASP 115 Ca 0.04 -1.42 -0.01 0.00 0.71 0.00 0.00 54.79 54.11 1sqq n ASP 115 Cb 0.11 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.26 1sqq n ASP 115 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1sqq h VAL 116 N 0.23 0.15 -0.88 2.53 -1.51 -1.58 -2.41 116.25 112.78 1sqq h VAL 116 Ca 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.46 1sqq h VAL 116 Cb 0.30 0.15 -0.04 0.00 -2.13 0.00 0.00 31.29 29.56 1sqq h VAL 116 CO 0.00 0.00 0.50 0.44 -1.23 0.00 0.00 177.57 177.28 1sqq h ASP 117 N -0.06 1.07 -0.49 4.19 3.32 -1.86 0.30 116.42 122.90 1sqq h ASP 117 Ca 0.32 -0.08 -0.10 0.00 0.02 0.00 0.00 57.03 57.19 1sqq h ASP 117 Cb 0.58 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1sqq h ASP 117 CO -0.80 0.84 -0.08 -0.29 -1.72 0.00 0.00 179.24 177.19 1sqq h ILE 118 N 1.22 1.27 -0.43 0.35 6.09 -1.80 -2.38 117.51 121.83 1sqq h ILE 118 Ca 0.31 -1.20 -0.10 0.00 -1.37 0.00 0.00 64.86 62.50 1sqq h ILE 118 Cb -0.01 1.06 -0.02 0.00 0.47 0.00 0.00 36.82 38.32 1sqq h ILE 118 CO -0.05 0.42 -0.13 -0.07 -3.07 0.00 0.00 178.15 175.24 1sqq h LEU 119 N 0.77 0.79 -0.68 2.19 3.38 -0.63 -1.97 115.31 119.15 1sqq h LEU 119 Ca 0.13 -0.25 0.10 0.00 0.09 0.00 0.00 57.88 57.95 1sqq h LEU 119 Cb 0.63 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.09 1sqq h LEU 119 CO 0.04 0.93 0.30 -0.03 0.09 0.00 0.00 178.44 179.78 1sqq h MET 120 N 0.71 0.50 -0.51 1.13 4.05 -0.44 0.57 114.93 120.93 1sqq h MET 120 Ca 0.12 -0.03 -0.10 0.00 -0.28 0.00 0.00 59.70 59.40 1sqq h MET 120 Cb 0.62 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.29 1sqq h MET 120 CO 0.04 0.33 -0.07 1.49 0.23 0.00 0.00 176.91 178.93 1sqq h GLU 121 N 0.51 0.96 -0.55 0.39 4.81 -0.83 -1.72 114.58 118.15 1sqq h GLU 121 Ca 0.34 -0.34 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1sqq h GLU 121 Cb 0.41 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1sqq h GLU 121 CO -0.30 1.01 -0.01 0.74 -0.73 0.00 0.00 179.01 179.72 1sqq h PHE 122 N 0.82 1.07 -0.43 0.92 0.05 -1.13 -1.49 116.94 116.75 1sqq h PHE 122 Ca 0.14 -0.19 0.07 0.00 3.82 0.00 0.00 57.97 61.81 1sqq h PHE 122 Cb 0.63 -0.28 -0.06 0.00 2.00 0.00 0.00 35.95 38.24 1sqq h PHE 122 CO 0.05 0.97 0.07 1.25 -0.18 0.00 0.00 178.31 180.47 1sqq h LEU 123 N 0.86 -0.02 0.05 1.54 6.46 -0.51 0.19 115.31 123.88 1sqq h LEU 123 Ca 0.16 0.08 -0.19 0.00 -0.12 0.00 0.00 57.88 57.80 1sqq h LEU 123 Cb 0.55 0.11 0.02 0.00 -0.73 0.00 0.00 40.66 40.61 1sqq h LEU 123 CO 0.03 0.02 -0.78 -0.07 -0.62 0.00 0.00 178.44 177.02 1sqq h LEU 124 N 0.20 0.59 -0.90 2.25 3.38 -1.00 -2.01 115.31 117.82 1sqq h LEU 124 Ca 0.21 -0.82 0.11 0.00 0.09 0.00 0.00 57.88 57.48 1sqq h LEU 124 Cb 0.27 -0.18 -0.13 0.00 0.09 0.00 0.00 40.66 40.70 1sqq h LEU 124 CO -0.29 1.34 -0.48 0.78 0.09 0.00 0.00 178.44 179.88 1sqq h ASN 125 N -0.09 -1.76 -0.76 -0.43 2.35 -1.22 0.44 115.58 114.11 1sqq h ASN 125 Ca -0.11 0.30 0.10 0.00 -0.55 0.00 0.00 56.30 56.04 1sqq h ASN 125 Cb 1.51 0.83 -0.05 0.00 0.05 0.00 0.00 38.32 40.65 1sqq h ASN 125 CO 0.15 -0.28 0.50 0.58 -1.65 0.00 0.00 177.43 176.73 1sqq h VAL 126 N -0.05 0.92 0.00 2.81 2.07 -0.37 -0.76 116.25 120.87 1sqq h VAL 126 Ca 0.23 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1sqq h VAL 126 Cb 0.52 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 1sqq h VAL 126 CO -0.90 0.12 -1.16 0.35 0.02 0.00 0.00 177.57 176.00 1sqq n THR 127 N -4.50 0.00 -0.01 2.57 -2.24 -0.81 -4.25 114.28 105.04 1sqq n THR 127 Ca 0.13 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1sqq n THR 127 Cb 0.36 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 1sqq n THR 127 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1sqq n THR 128 N -1.66 0.00 -2.49 4.28 -2.24 0.15 -4.90 114.28 107.42 1sqq n THR 128 Ca 0.00 -0.27 0.03 0.00 -2.27 0.00 0.00 64.05 61.54 1sqq n THR 128 Cb 0.31 1.01 0.04 0.00 -2.10 0.00 0.00 70.33 69.59 1sqq n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sqq n ALA 129 N -0.52 2.58 -1.79 6.98 0.00 -0.30 -4.97 120.51 122.49 1sqq n ALA 129 Ca 0.00 -2.55 -0.41 0.00 0.00 0.00 0.00 53.44 50.48 1sqq n ALA 129 Cb 0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 19.45 18.71 1sqq n ALA 129 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1sqq s PRO 130 N -1.21 4.17 0.18 0.00 0.04 -1.15 -1.95 135.00 135.08 1sqq s PRO 130 Ca 0.33 2.48 0.22 0.00 0.04 0.00 0.00 61.00 64.07 1sqq s PRO 130 Cb 0.37 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.87 1sqq s PRO 130 CO -0.13 -0.49 1.00 0.39 0.04 0.00 0.00 177.00 177.81 1sqq n GLU 131 N 1.24 0.61 -4.10 4.56 1.02 -0.94 -4.93 120.64 118.11 1sqq n GLU 131 Ca 0.04 0.12 -0.42 0.00 -0.02 0.00 0.00 57.16 56.89 1sqq n GLU 131 Cb 0.39 -1.82 -0.00 0.00 -0.02 0.00 0.00 31.44 29.99 1sqq n GLU 131 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1sqq n PHE 132 N -2.69 -1.25 -1.85 -0.32 0.99 -1.26 -4.83 117.46 106.26 1sqq n PHE 132 Ca -0.01 0.14 -0.42 0.00 -0.00 0.00 0.00 57.45 57.16 1sqq n PHE 132 Cb 0.58 -2.57 -0.03 0.00 -1.00 0.00 0.00 39.48 36.46 1sqq n PHE 132 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1sqq s ARG 133 N -7.30 4.18 0.06 -1.08 0.52 -1.26 -4.77 118.95 109.29 1sqq s ARG 133 Ca 0.37 2.47 -0.11 0.00 -0.52 0.00 0.00 55.73 57.94 1sqq s ARG 133 Cb -0.21 -3.11 -0.02 0.00 0.52 0.00 0.00 34.95 32.13 1sqq s ARG 133 CO 0.92 -0.66 0.59 -2.13 0.02 0.00 0.00 175.30 174.03 1sqq n ARG 134 N 3.85 -0.16 0.04 3.54 0.63 -1.26 -1.08 116.66 122.22 1sqq n ARG 134 Ca 0.14 0.58 -0.04 0.00 -0.92 0.00 0.00 57.85 57.60 1sqq n ARG 134 Cb 0.37 -0.85 0.17 0.00 0.45 0.00 0.00 32.46 32.60 1sqq n ARG 134 CO 0.00 0.00 0.00 0.11 -2.51 0.00 0.00 177.63 175.23 1sqq h TRP 135 N 0.00 0.48 -0.14 -0.14 0.09 -2.00 -1.47 115.95 112.78 1sqq h TRP 135 Ca 0.07 -0.13 -0.14 0.00 0.09 0.00 0.00 58.89 58.78 1sqq h TRP 135 Cb 0.16 -0.11 -0.01 0.00 0.08 0.00 0.00 29.16 29.28 1sqq h TRP 135 CO -0.39 0.74 -0.50 0.93 0.09 0.00 0.00 178.44 179.31 1sqq h GLU 136 N 0.35 0.38 0.06 0.12 5.08 -1.58 -2.55 114.58 116.44 1sqq h GLU 136 Ca 0.03 -0.22 -0.25 0.00 -1.00 0.00 0.00 59.36 57.92 1sqq h GLU 136 Cb 0.83 0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.10 1sqq h GLU 136 CO 0.07 0.80 -1.09 0.28 -1.00 0.00 0.00 179.01 178.07 1sqq h VAL 137 N 0.30 1.43 -0.41 3.13 2.07 -0.74 -3.00 116.25 119.03 1sqq h VAL 137 Ca 0.01 -2.68 -0.02 0.00 0.82 0.00 0.00 66.70 64.83 1sqq h VAL 137 Cb 0.99 2.65 -0.02 0.00 -1.52 0.00 0.00 31.29 33.39 1sqq h VAL 137 CO 0.09 0.79 0.17 0.00 0.02 0.00 0.00 177.57 178.64 1sqq h ALA 138 N 0.64 0.53 0.00 1.67 0.00 -1.31 -2.18 119.26 118.60 1sqq h ALA 138 Ca -0.11 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1sqq h ALA 138 Cb 1.76 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 1sqq h ALA 138 CO 0.19 0.12 -0.01 0.00 0.00 0.00 0.00 179.25 179.54 1sqq h ALA 139 N 1.02 1.64 0.00 0.00 0.00 -1.49 -2.84 119.26 117.59 1sqq h ALA 139 Ca 0.14 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1sqq h ALA 139 Cb 0.17 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1sqq h ALA 139 CO -0.01 0.01 -0.99 1.25 0.00 0.00 0.00 179.25 179.51 1sqq h LEU 140 N 0.00 0.00 -0.41 0.00 5.85 -1.25 -3.39 115.31 116.11 1sqq h LEU 140 Ca -0.00 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.79 1sqq h LEU 140 Cb 0.02 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 1sqq h LEU 140 CO 0.00 0.06 0.05 1.56 -0.34 0.00 0.00 178.44 179.77 1sqq h GLN 141 N 0.00 0.16 -0.28 1.25 1.08 -1.23 -1.84 115.11 114.25 1sqq h GLN 141 Ca -0.02 -0.01 0.08 0.00 -1.45 0.00 0.00 58.65 57.25 1sqq h GLN 141 Cb 1.06 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.44 1sqq h GLN 141 CO 0.01 0.11 0.65 -1.35 -0.95 0.00 0.00 178.83 177.29 1sqq h PRO 142 N 0.16 0.00 0.00 1.46 0.11 -1.80 -0.32 132.00 131.61 1sqq h PRO 142 Ca 0.20 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.19 1sqq h PRO 142 Cb 0.27 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.36 1sqq h PRO 142 CO -0.30 0.00 -0.60 0.37 -0.21 0.00 0.00 178.00 177.26 1sqq h GLN 143 N 0.00 0.00 -0.66 1.05 5.75 -1.63 -1.64 115.11 117.98 1sqq h GLN 143 Ca 0.13 0.00 0.06 0.00 -0.15 0.00 0.00 58.65 58.70 1sqq h GLN 143 Cb 1.44 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.93 1sqq h GLN 143 CO -0.00 0.60 0.36 -0.07 -2.65 0.00 0.00 178.83 177.07 1sqq h LEU 144 N 0.00 0.52 -0.22 -2.39 3.38 -1.20 0.66 115.31 116.07 1sqq h LEU 144 Ca -0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1sqq h LEU 144 Cb 1.13 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1sqq h LEU 144 CO 0.08 0.33 0.11 -0.09 0.09 0.00 0.00 178.44 178.96 1sqq h ARG 145 N 0.66 0.31 0.21 1.13 2.43 -1.43 -0.38 114.38 117.31 1sqq h ARG 145 Ca 0.30 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.42 1sqq h ARG 145 Cb 0.21 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1sqq h ARG 145 CO -0.20 0.32 -0.10 0.82 -1.51 0.00 0.00 179.97 179.30 1sqq h ILE 146 N 0.22 0.84 -0.23 1.20 2.04 -1.12 -0.99 117.51 119.46 1sqq h ILE 146 Ca 0.07 -0.22 0.05 0.00 1.00 0.00 0.00 64.86 65.76 1sqq h ILE 146 Cb 0.11 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 1sqq h ILE 146 CO -0.01 0.05 -0.05 -0.78 0.00 0.00 0.00 178.15 177.36 1sqq h ASP 147 N -0.39 -0.20 -0.32 1.72 -0.00 0.37 0.17 116.42 117.77 1sqq h ASP 147 Ca -0.03 0.07 0.01 0.00 -0.00 0.00 0.00 57.03 57.08 1sqq h ASP 147 Cb 0.30 0.14 -0.02 0.00 -0.00 0.00 0.00 39.33 39.75 1sqq h ASP 147 CO 0.05 -0.07 0.19 0.50 -0.00 0.00 0.00 179.24 179.91 1sqq h LYS 148 N 0.01 0.37 -0.29 0.28 3.64 -1.09 -1.53 116.57 117.97 1sqq h LYS 148 Ca 0.11 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1sqq h LYS 148 Cb 0.17 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 1sqq h LYS 148 CO -0.23 0.24 0.10 0.00 -2.27 0.00 0.00 179.45 177.29 1sqq h ALA 149 N 1.14 0.33 0.22 5.00 0.00 -0.56 0.22 119.26 125.61 1sqq h ALA 149 Ca 0.12 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1sqq h ALA 149 Cb -0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1sqq h ALA 149 CO -0.06 -0.30 -0.28 0.28 0.00 0.00 0.00 179.25 178.89 1sqq h VAL 150 N 0.23 0.00 -0.75 0.00 2.07 -0.90 -2.84 116.25 114.06 1sqq h VAL 150 Ca 0.13 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.81 1sqq h VAL 150 Cb 0.09 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.73 1sqq h VAL 150 CO -0.13 0.00 -0.09 0.00 0.02 0.00 0.00 177.57 177.37 1sqq h ALA 151 N -1.22 0.64 0.00 1.67 0.00 -0.73 -1.71 119.26 117.91 1sqq h ALA 151 Ca -0.03 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1sqq h ALA 151 Cb 0.46 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1sqq h ALA 151 CO -0.07 -0.42 0.00 1.28 0.00 0.00 0.00 179.25 180.04 1sqq n LEU 152 N -5.42 0.00 0.00 0.00 4.32 0.74 -2.23 117.00 114.40 1sqq n LEU 152 Ca 0.12 0.04 0.15 0.00 -0.02 0.00 0.00 56.01 56.29 1sqq n LEU 152 Cb 0.43 -0.04 0.88 0.00 -1.62 0.00 0.00 43.42 43.08 1sqq n LEU 152 CO 0.02 -0.01 1.05 0.00 -1.22 0.00 0.00 177.39 177.24 1sqq n GLN 153 N -1.04 0.91 -2.86 3.23 10.64 -0.64 -4.38 117.38 123.25 1sqq n GLN 153 Ca 0.19 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.95 1sqq n GLN 153 Cb 0.11 -1.50 -0.04 0.00 -0.86 0.00 0.00 30.24 27.95 1sqq n GLN 153 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 1sqq s ASN 154 N -2.03 6.99 0.58 2.61 0.01 -0.95 -4.97 114.94 117.19 1sqq s ASN 154 Ca 0.44 1.22 0.27 0.00 -0.71 0.00 0.00 52.86 54.09 1sqq s ASN 154 Cb 0.21 -2.47 1.60 0.00 0.41 0.00 0.00 41.25 40.99 1sqq s ASN 154 CO 0.35 -0.42 2.09 -0.65 -1.51 0.00 0.00 177.10 176.97 1sqq h PRO 155 N 7.31 0.00 -0.13 -0.60 0.11 -1.90 -2.11 132.00 134.68 1sqq h PRO 155 Ca -0.29 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.71 1sqq h PRO 155 Cb 1.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1sqq h PRO 155 CO 0.85 0.00 -0.42 1.96 -0.21 0.00 0.00 178.00 180.18 1sqq h GLN 156 N 0.00 0.30 -0.01 1.05 7.50 -1.93 -2.45 115.11 119.57 1sqq h GLN 156 Ca 0.10 -0.15 -0.00 0.00 0.50 0.00 0.00 58.65 59.10 1sqq h GLN 156 Cb 0.51 -0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.04 1sqq h GLN 156 CO -0.00 0.67 0.01 0.00 -1.50 0.00 0.00 178.83 178.00 1sqq h ALA 157 N 1.32 0.02 -0.28 3.87 0.00 -1.68 -0.76 119.26 121.74 1sqq h ALA 157 Ca 0.02 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1sqq h ALA 157 Cb 0.84 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.58 1sqq h ALA 157 CO 0.07 -0.40 -0.04 0.45 0.00 0.00 0.00 179.25 179.33 1sqq h HIS 158 N -0.14 -0.09 0.00 0.00 3.86 -1.58 -1.00 115.15 116.20 1sqq h HIS 158 Ca 0.00 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1sqq h HIS 158 Cb 0.17 0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.72 1sqq h HIS 158 CO -0.02 -0.09 -0.00 0.28 0.86 0.00 0.00 177.93 178.96 1sqq h VAL 159 N 0.03 1.04 -0.22 2.45 2.07 -1.32 0.16 116.25 120.46 1sqq h VAL 159 Ca 0.13 -0.12 -0.12 0.00 0.82 0.00 0.00 66.70 67.42 1sqq h VAL 159 Cb 0.19 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1sqq h VAL 159 CO -0.26 0.03 -0.37 0.40 0.02 0.00 0.00 177.57 177.38 1sqq h ILE 160 N -0.05 1.30 0.15 4.57 2.04 -0.80 0.76 117.51 125.47 1sqq h ILE 160 Ca -0.00 -1.50 0.01 0.00 1.00 0.00 0.00 64.86 64.37 1sqq h ILE 160 Cb 0.05 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 1sqq h ILE 160 CO 0.00 0.47 -0.26 -0.33 0.00 0.00 0.00 178.15 178.03 1sqq h GLU 161 N 0.41 -0.47 -0.02 2.37 4.39 -1.07 -1.46 114.58 118.72 1sqq h GLU 161 Ca 0.04 0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.70 1sqq h GLU 161 Cb 0.84 0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.59 1sqq h GLU 161 CO 0.07 -0.31 -0.31 -0.91 -1.16 0.00 0.00 179.01 176.38 1sqq h ASN 162 N -0.49 0.04 -0.37 1.42 -0.26 0.45 -1.99 115.58 114.39 1sqq h ASN 162 Ca 0.02 -0.01 0.04 0.00 -0.56 0.00 0.00 56.30 55.79 1sqq h ASN 162 Cb 0.50 -0.01 -0.04 0.00 -1.06 0.00 0.00 38.32 37.71 1sqq h ASN 162 CO -0.13 0.35 0.13 0.25 -1.06 0.00 0.00 177.43 176.98 1sqq h LEU 163 N 0.04 0.14 -0.10 1.61 6.46 0.89 -1.09 115.31 123.26 1sqq h LEU 163 Ca 0.00 0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 57.75 1sqq h LEU 163 Cb 0.57 0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.53 1sqq h LEU 163 CO 0.04 0.12 -0.15 0.45 -0.62 0.00 0.00 178.44 178.28 1sqq h HIS 164 N 0.28 0.33 -1.01 1.25 3.86 -0.75 -1.21 115.15 117.91 1sqq h HIS 164 Ca 0.17 -0.11 0.31 0.00 -1.16 0.00 0.00 60.37 59.57 1sqq h HIS 164 Cb 0.14 -0.07 -0.14 0.00 1.06 0.00 0.00 27.41 28.40 1sqq h HIS 164 CO -0.14 0.74 0.58 0.00 0.86 0.00 0.00 177.93 179.97 1sqq h ALA 165 N 0.53 1.96 0.09 2.45 0.00 -1.26 0.10 119.26 123.13 1sqq h ALA 165 Ca 0.01 0.17 -0.27 0.00 0.00 0.00 0.00 54.91 54.83 1sqq h ALA 165 Cb 0.71 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1sqq h ALA 165 CO 0.03 -0.55 -1.26 0.00 0.00 0.00 0.00 179.25 177.47 1sqq h ALA 166 N 1.82 0.22 0.05 0.00 0.00 -0.65 -3.35 119.26 117.36 1sqq h ALA 166 Ca 0.72 -0.96 -0.24 0.00 0.00 0.00 0.00 54.91 54.43 1sqq h ALA 166 Cb 1.62 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 1sqq h ALA 166 CO -0.57 1.10 -1.04 0.00 0.00 0.00 0.00 179.25 178.74 1sqq h ALA 167 N 0.68 0.30 -4.10 0.00 0.00 0.37 -3.13 119.26 113.39 1sqq h ALA 167 Ca -0.13 -0.78 -0.60 0.00 0.00 0.00 0.00 54.91 53.40 1sqq h ALA 167 Cb 1.93 -0.02 -0.26 0.00 0.00 0.00 0.00 17.79 19.44 1sqq h ALA 167 CO 0.17 0.91 -0.85 0.71 0.00 0.00 0.00 179.25 180.19 1sqq s TYR 168 N -3.01 1.88 0.23 0.00 1.51 -0.73 -0.51 117.35 116.73 1sqq s TYR 168 Ca -0.04 -0.38 0.21 0.00 -1.01 0.00 0.00 57.07 55.85 1sqq s TYR 168 Cb 0.08 -1.12 0.91 0.00 -0.11 0.00 0.00 41.96 41.72 1sqq s TYR 168 CO 0.86 0.09 1.84 0.00 -1.11 0.00 0.00 175.55 177.24 1sqq h ARG 169 N 4.86 0.00 0.00 -0.62 3.08 -1.77 -3.42 114.38 116.51 1sqq h ARG 169 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 1sqq h ARG 169 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 1sqq h ARG 169 CO 0.44 0.28 0.00 -1.71 -1.07 0.00 0.00 179.97 177.91 1sqq n ASN 170 N -3.58 0.00 0.00 7.04 2.85 -1.26 -4.93 115.26 115.38 1sqq n ASN 170 Ca -0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.46 1sqq n ASN 170 Cb 0.42 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.44 1sqq n ASN 170 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1sqq n ALA 171 N -3.00 2.68 0.28 5.20 0.00 -1.26 -4.42 120.51 119.99 1sqq n ALA 171 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 1sqq n ALA 171 Cb 0.00 0.03 0.72 0.00 0.00 0.00 0.00 19.45 20.20 1sqq n ALA 171 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1sqq h LEU 172 N 0.00 0.00 -0.71 0.00 3.38 -1.93 -2.42 115.31 113.63 1sqq h LEU 172 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1sqq h LEU 172 Cb 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1sqq h LEU 172 CO 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 178.44 178.49 1sqq h ALA 173 N 2.07 0.99 -3.01 1.53 0.00 -1.77 -3.43 119.26 115.63 1sqq h ALA 173 Ca 0.00 -0.03 -0.55 0.00 0.00 0.00 0.00 54.91 54.33 1sqq h ALA 173 Cb 0.18 -0.01 0.14 0.00 0.00 0.00 0.00 17.79 18.10 1sqq h ALA 173 CO 0.00 0.05 0.57 -0.80 0.00 0.00 0.00 179.25 179.06 1sqq s ASN 174 N -5.99 5.13 0.33 0.00 0.02 -0.91 -3.63 114.94 109.89 1sqq s ASN 174 Ca 0.04 2.68 -0.10 0.00 -1.02 0.00 0.00 52.86 54.46 1sqq s ASN 174 Cb 0.07 -2.63 -0.07 0.00 0.02 0.00 0.00 41.25 38.65 1sqq s ASN 174 CO 0.62 -1.65 0.68 -0.55 0.02 0.00 0.00 177.10 176.21 1sqq s SER 175 N -1.13 6.58 0.56 -1.22 0.15 -1.26 -4.87 113.70 112.50 1sqq s SER 175 Ca 0.74 1.04 0.37 0.00 0.70 0.00 0.00 55.95 58.80 1sqq s SER 175 Cb -0.38 -2.28 1.96 0.00 -1.71 0.00 0.00 66.02 63.60 1sqq s SER 175 CO 0.44 -0.26 2.14 -0.07 1.20 0.00 0.00 173.24 176.69 1sqq h LEU 176 N 1.78 0.00 -8.46 3.45 4.07 -1.96 -3.44 115.31 110.76 1sqq h LEU 176 Ca -0.47 0.00 -0.60 0.00 0.08 0.00 0.00 57.88 56.88 1sqq h LEU 176 Cb 1.18 0.00 -0.29 0.00 1.08 0.00 0.00 40.66 42.63 1sqq h LEU 176 CO 0.66 0.00 -0.85 -0.31 -1.08 0.00 0.00 178.44 176.85 1sqq s TYR 177 N -3.91 1.86 0.14 1.13 1.51 -1.26 -4.75 117.35 112.07 1sqq s TYR 177 Ca -0.03 -0.36 -0.31 0.00 -1.01 0.00 0.00 57.07 55.36 1sqq s TYR 177 Cb 0.11 -1.18 -0.10 0.00 -0.11 0.00 0.00 41.96 40.67 1sqq s TYR 177 CO 0.38 -0.01 1.70 0.00 -1.11 0.00 0.00 175.55 176.51 1sqq n PRO 179 N 4.84 1.53 -0.31 0.00 -0.02 -1.26 -4.89 135.00 134.90 1sqq n PRO 179 Ca 0.16 0.54 0.01 0.00 -2.02 0.00 0.00 63.50 62.19 1sqq n PRO 179 Cb 0.38 -2.00 0.19 0.00 -0.02 0.00 0.00 33.50 32.05 1sqq n PRO 179 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1sqq h ASP 180 N 2.01 0.99 -0.01 2.55 3.32 -1.98 0.17 116.42 123.46 1sqq h ASP 180 Ca -0.42 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1sqq h ASP 180 Cb 1.33 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.64 1sqq h ASP 180 CO 0.60 0.69 0.05 0.10 -1.72 0.00 0.00 179.24 178.97 1sqq h TYR 181 N 1.15 0.00 0.00 4.55 -0.00 -2.02 -1.25 116.97 119.41 1sqq h TYR 181 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.08 1sqq h TYR 181 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.70 1sqq h TYR 181 CO -0.00 0.00 -1.01 0.54 -0.00 0.00 0.00 178.16 177.69 1sqq n ARG 182 N -3.25 0.46 -1.79 0.10 5.12 0.60 -4.78 116.66 113.12 1sqq n ARG 182 Ca -0.03 0.06 -0.42 0.00 -1.93 0.00 0.00 57.85 55.53 1sqq n ARG 182 Cb 0.13 -1.72 -0.03 0.00 -1.16 0.00 0.00 32.46 29.68 1sqq n ARG 182 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1sqq s ILE 183 N -3.29 3.23 0.00 0.55 1.01 -0.47 -0.10 121.20 122.12 1sqq s ILE 183 Ca 0.01 0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.93 1sqq s ILE 183 Cb 0.12 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.38 1sqq s ILE 183 CO 0.79 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 176.27 1sqq n GLY 184 N 4.76 0.66 0.04 6.18 0.00 -1.26 -4.91 105.19 110.67 1sqq n GLY 184 Ca 0.21 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.26 1sqq n GLY 184 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sqq n LYS 185 N -2.00 4.26 -3.25 1.61 5.02 0.85 -4.98 118.16 119.68 1sqq n LYS 185 Ca 0.00 -0.16 -0.38 0.00 -2.02 0.00 0.00 58.31 55.75 1sqq n LYS 185 Cb 0.00 -0.81 -0.06 0.00 -0.02 0.00 0.00 35.03 34.14 1sqq n LYS 185 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1sqq s VAL 186 N -1.30 5.15 0.29 -0.18 0.11 -1.21 -5.03 120.40 118.23 1sqq s VAL 186 Ca 0.03 1.06 0.07 0.00 -2.93 0.00 0.00 61.98 60.20 1sqq s VAL 186 Cb 0.04 -3.87 -0.03 0.00 -1.53 0.00 0.00 36.38 31.00 1sqq s VAL 186 CO 0.19 0.29 0.33 0.42 -3.33 0.00 0.00 175.10 172.99 1sqq s THR 187 N 0.81 4.30 0.44 5.04 -4.23 -1.26 -5.01 115.64 115.73 1sqq s THR 187 Ca 0.28 -1.20 0.23 0.00 -1.18 0.00 0.00 61.69 59.82 1sqq s THR 187 Cb -0.16 -3.45 0.25 0.00 1.34 0.00 0.00 72.50 70.48 1sqq s THR 187 CO 0.12 -0.25 2.05 -0.65 -0.54 0.00 0.00 174.62 175.35 1sqq h PRO 188 N 1.20 0.00 -0.40 3.99 0.11 -1.95 -2.33 132.00 132.63 1sqq h PRO 188 Ca -0.48 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.55 1sqq h PRO 188 Cb 1.25 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1sqq h PRO 188 CO 0.58 0.14 -0.12 -0.24 -0.21 0.00 0.00 178.00 178.15 1sqq h VAL 189 N 0.00 1.25 -0.70 3.15 3.04 -1.95 -0.77 116.25 120.28 1sqq h VAL 189 Ca -0.00 -1.14 -0.05 0.00 -1.01 0.00 0.00 66.70 64.49 1sqq h VAL 189 Cb 0.31 1.08 -0.03 0.00 -2.01 0.00 0.00 31.29 30.64 1sqq h VAL 189 CO 0.02 0.39 0.23 -0.33 -1.01 0.00 0.00 177.57 176.86 1sqq h GLU 190 N 0.64 1.08 -0.17 4.17 5.08 -1.83 0.39 114.58 123.94 1sqq h GLU 190 Ca 0.11 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.18 1sqq h GLU 190 Cb 0.57 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1sqq h GLU 190 CO 0.04 0.92 -0.13 -0.07 -1.00 0.00 0.00 179.01 178.77 1sqq h LEU 191 N 1.02 0.41 -0.30 1.33 3.38 -1.32 0.62 115.31 120.45 1sqq h LEU 191 Ca 0.23 -0.45 0.07 0.00 0.09 0.00 0.00 57.88 57.81 1sqq h LEU 191 Cb 0.28 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 1sqq h LEU 191 CO -0.01 0.78 -0.20 0.45 0.09 0.00 0.00 178.44 179.55 1sqq h HIS 192 N 0.05 -0.52 0.00 1.13 3.86 -0.78 -1.93 115.15 116.96 1sqq h HIS 192 Ca 0.03 0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.24 1sqq h HIS 192 Cb 0.65 0.27 -0.01 0.00 1.06 0.00 0.00 27.41 29.38 1sqq h HIS 192 CO 0.08 -0.28 -0.21 -0.44 0.86 0.00 0.00 177.93 177.94 1sqq h ASP 193 N -0.17 0.00 -0.33 2.45 3.32 -0.14 -1.94 116.42 119.61 1sqq h ASP 193 Ca 0.16 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.05 1sqq h ASP 193 Cb 0.42 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 1sqq h ASP 193 CO -0.40 0.21 -0.41 0.22 -1.72 0.00 0.00 179.24 177.14 1sqq h TYR 194 N 0.00 1.04 -0.00 4.55 5.03 -0.15 -2.01 116.97 125.42 1sqq h TYR 194 Ca -0.00 -0.33 -0.19 0.00 2.58 0.00 0.00 58.73 60.79 1sqq h TYR 194 Cb 0.46 -0.21 0.01 0.00 1.55 0.00 0.00 36.73 38.55 1sqq h TYR 194 CO 0.00 1.14 -0.73 0.28 -1.32 0.00 0.00 178.16 177.53 1sqq h VAL 195 N 0.63 1.38 -0.52 1.81 2.07 -1.03 -0.99 116.25 119.61 1sqq h VAL 195 Ca 0.04 -2.13 -0.03 0.00 0.82 0.00 0.00 66.70 65.41 1sqq h VAL 195 Cb 1.00 2.53 -0.03 0.00 -1.52 0.00 0.00 31.29 33.27 1sqq h VAL 195 CO 0.10 0.63 0.21 1.56 0.02 0.00 0.00 177.57 180.09 1sqq h GLN 196 N 0.05 0.75 0.00 1.57 4.20 -1.42 0.89 115.11 121.14 1sqq h GLN 196 Ca -0.09 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.51 1sqq h GLN 196 Cb 1.43 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 29.07 1sqq h GLN 196 CO 0.14 0.61 -1.14 0.27 -0.67 0.00 0.00 178.83 178.05 1sqq n ASN 197 N -4.34 0.73 -0.04 1.46 2.04 -0.76 -3.50 115.26 110.84 1sqq n ASN 197 Ca 0.04 0.28 -0.04 0.00 -0.44 0.00 0.00 54.58 54.42 1sqq n ASN 197 Cb 0.16 0.66 -0.07 0.00 -2.53 0.00 0.00 39.78 38.00 1sqq n ASN 197 CO 0.00 0.00 0.00 1.41 -0.44 0.00 0.00 177.26 178.23 1sqq n HIS 198 N -2.61 0.00 -2.20 -2.53 8.25 -0.39 -3.30 115.22 112.45 1sqq n HIS 198 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 1sqq n HIS 198 Cb 0.55 -0.44 0.00 0.00 1.12 0.00 0.00 29.99 31.23 1sqq n HIS 198 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1sqq n PHE 199 N -2.31 2.71 -4.44 4.41 3.01 0.30 -4.72 117.46 116.42 1sqq n PHE 199 Ca -0.14 -2.79 -0.22 0.00 1.01 0.00 0.00 57.45 55.31 1sqq n PHE 199 Cb 0.77 -1.84 -0.10 0.00 -0.01 0.00 0.00 39.48 38.30 1sqq n PHE 199 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1sqq s THR 200 N -0.67 2.10 0.20 4.37 -4.23 -1.26 -4.87 115.64 111.27 1sqq s THR 200 Ca 0.46 -2.27 -0.12 0.00 -1.18 0.00 0.00 61.69 58.58 1sqq s THR 200 Cb 0.14 -2.31 0.15 0.00 1.34 0.00 0.00 72.50 71.82 1sqq s THR 200 CO -0.04 -0.41 1.69 0.28 -0.54 0.00 0.00 174.62 175.60 1sqq h SER 201 N 2.31 -0.13 0.51 3.99 0.02 -0.73 0.16 113.55 119.67 1sqq h SER 201 Ca -0.40 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1sqq h SER 201 Cb 1.24 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.97 1sqq h SER 201 CO 0.63 -0.04 0.00 0.00 -1.14 0.00 0.00 176.83 176.28 1sqq n ALA 202 N -2.64 2.06 -0.54 3.77 0.00 -1.20 -2.03 120.51 119.92 1sqq n ALA 202 Ca 0.07 -0.09 0.08 0.00 0.00 0.00 0.00 53.44 53.50 1sqq n ALA 202 Cb 0.29 -1.34 0.26 0.00 0.00 0.00 0.00 19.45 18.66 1sqq n ALA 202 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1sqq n ARG 203 N -1.36 3.18 -4.19 0.00 1.74 0.54 -4.84 116.66 111.72 1sqq n ARG 203 Ca 0.08 -2.56 -0.16 0.00 -0.77 0.00 0.00 57.85 54.44 1sqq n ARG 203 Cb 0.20 -1.64 -0.11 0.00 -1.02 0.00 0.00 32.46 29.89 1sqq n ARG 203 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1sqq s MET 204 N -1.74 0.88 -0.05 5.56 -1.94 -0.86 -0.79 119.30 120.37 1sqq s MET 204 Ca 0.39 -1.12 -0.11 0.00 -1.71 0.00 0.00 55.69 53.14 1sqq s MET 204 Cb 0.25 -0.71 0.02 0.00 2.01 0.00 0.00 34.83 36.40 1sqq s MET 204 CO 0.18 0.13 0.26 0.00 -0.01 0.00 0.00 175.02 175.58 1sqq s ALA 205 N -2.01 -0.64 -0.29 3.03 0.00 0.12 -3.10 121.76 118.87 1sqq s ALA 205 Ca 0.04 0.40 0.02 0.00 0.00 0.00 0.00 51.96 52.42 1sqq s ALA 205 Cb -0.06 -0.12 0.08 0.00 0.00 0.00 0.00 23.12 23.02 1sqq s ALA 205 CO 0.02 -0.20 -0.02 -1.17 0.00 0.00 0.00 175.76 174.38 1sqq s LEU 206 N -0.77 3.58 -0.08 0.00 2.96 0.02 -0.89 118.68 123.51 1sqq s LEU 206 Ca -0.09 -1.63 -0.00 0.00 -0.22 0.00 0.00 54.13 52.20 1sqq s LEU 206 Cb -0.04 -1.43 -0.03 0.00 0.50 0.00 0.00 46.19 45.19 1sqq s LEU 206 CO 0.02 -0.29 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.08 1sqq s ILE 207 N 1.15 3.84 0.01 6.68 -1.09 -0.12 -2.22 121.20 129.44 1sqq s ILE 207 Ca 0.00 -0.42 0.01 0.00 -2.23 0.00 0.00 60.65 58.01 1sqq s ILE 207 Cb -0.19 -2.59 -0.01 0.00 -1.58 0.00 0.00 42.46 38.09 1sqq s ILE 207 CO -0.08 0.59 -0.03 -0.83 -1.23 0.00 0.00 174.94 173.36 1sqq s GLY 208 N -0.70 0.18 -0.10 6.18 0.00 0.47 -1.23 107.32 112.13 1sqq s GLY 208 Ca 0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 44.72 44.54 1sqq s GLY 208 CO 0.02 -0.27 0.02 -2.27 0.00 0.00 0.00 173.10 170.60 1sqq s LEU 209 N -0.48 0.62 -1.65 0.66 2.96 0.14 -1.67 118.68 119.26 1sqq s LEU 209 Ca -0.03 -0.25 -0.09 0.00 -0.22 0.00 0.00 54.13 53.53 1sqq s LEU 209 Cb -0.04 -0.41 0.09 0.00 0.50 0.00 0.00 46.19 46.33 1sqq s LEU 209 CO -0.00 -0.24 0.31 0.61 -1.32 0.00 0.00 176.35 175.71 1sqq n GLY 210 N 5.16 -0.25 3.79 7.98 0.00 0.30 -1.76 105.19 120.41 1sqq n GLY 210 Ca -0.07 0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 1sqq n GLY 210 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sqq s VAL 211 N -3.88 2.86 0.29 1.61 -7.23 -1.26 -4.77 120.40 108.03 1sqq s VAL 211 Ca 0.33 -1.56 -0.14 0.00 -1.81 0.00 0.00 61.98 58.81 1sqq s VAL 211 Cb -0.19 -3.02 -0.09 0.00 0.56 0.00 0.00 36.38 33.64 1sqq s VAL 211 CO 0.99 -0.10 0.69 -0.94 -0.31 0.00 0.00 175.10 175.44 1sqq s SER 212 N -3.95 6.77 0.16 4.85 1.04 -1.26 -4.19 113.70 117.12 1sqq s SER 212 Ca 0.42 1.21 -0.15 0.00 0.48 0.00 0.00 55.95 57.91 1sqq s SER 212 Cb -0.02 -2.35 0.03 0.00 0.10 0.00 0.00 66.02 63.79 1sqq s SER 212 CO 0.25 -0.16 1.81 -0.74 0.98 0.00 0.00 173.24 175.38 1sqq h HIS 213 N 2.42 0.58 -0.69 5.02 2.76 -1.97 -1.89 115.15 121.39 1sqq h HIS 213 Ca -0.48 0.01 0.15 0.00 -2.20 0.00 0.00 60.37 57.85 1sqq h HIS 213 Cb 1.18 -0.19 -0.12 0.00 1.55 0.00 0.00 27.41 29.82 1sqq h HIS 213 CO 0.62 0.38 -0.07 -1.35 -1.30 0.00 0.00 177.93 176.21 1sqq h PRO 214 N 0.61 0.06 -0.36 5.26 0.11 -1.98 0.20 132.00 135.89 1sqq h PRO 214 Ca 0.17 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.23 1sqq h PRO 214 Cb -0.05 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 1sqq h PRO 214 CO -0.03 0.04 0.08 0.28 -0.21 0.00 0.00 178.00 178.15 1sqq h VAL 215 N 0.06 1.23 0.34 3.15 2.07 -1.77 0.22 116.25 121.54 1sqq h VAL 215 Ca 0.36 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1sqq h VAL 215 Cb 0.58 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1sqq h VAL 215 CO -0.65 0.27 -0.16 -0.07 0.02 0.00 0.00 177.57 176.97 1sqq h LEU 216 N 0.43 -0.39 -1.02 2.57 3.38 -1.13 0.34 115.31 119.50 1sqq h LEU 216 Ca 0.11 -0.06 0.23 0.00 0.09 0.00 0.00 57.88 58.25 1sqq h LEU 216 Cb 0.32 0.10 -0.12 0.00 0.09 0.00 0.00 40.66 41.05 1sqq h LEU 216 CO 0.00 -0.18 0.60 0.50 0.09 0.00 0.00 178.44 179.46 1sqq h LYS 217 N -0.58 0.62 0.48 1.13 3.64 -0.69 0.23 116.57 121.40 1sqq h LYS 217 Ca -0.05 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1sqq h LYS 217 Cb 0.43 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1sqq h LYS 217 CO 0.08 0.41 -0.23 0.37 -2.27 0.00 0.00 179.45 177.81 1sqq h GLN 218 N 0.64 -0.63 -0.71 1.90 5.75 -0.19 0.06 115.11 121.93 1sqq h GLN 218 Ca 0.62 0.04 0.15 0.00 -0.15 0.00 0.00 58.65 59.31 1sqq h GLN 218 Cb 1.12 0.14 -0.13 0.00 1.07 0.00 0.00 27.48 29.68 1sqq h GLN 218 CO -0.44 -0.32 -0.11 0.28 -2.65 0.00 0.00 178.83 175.59 1sqq h VAL 219 N -0.93 0.32 -0.01 2.39 2.07 -0.27 0.17 116.25 120.00 1sqq h VAL 219 Ca -0.07 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1sqq h VAL 219 Cb 0.59 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1sqq h VAL 219 CO 0.11 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.71 1sqq h ALA 220 N 1.69 0.01 -0.32 1.67 0.00 -0.49 0.48 119.26 122.30 1sqq h ALA 220 Ca 0.36 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1sqq h ALA 220 Cb 0.58 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1sqq h ALA 220 CO -0.69 -0.40 -0.26 0.93 0.00 0.00 0.00 179.25 178.84 1sqq h GLU 221 N -0.17 0.63 -0.06 0.00 5.08 -0.41 -0.88 114.58 118.78 1sqq h GLU 221 Ca 0.00 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.07 1sqq h GLU 221 Cb 0.19 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1sqq h GLU 221 CO -0.00 0.83 -0.09 1.96 -1.00 0.00 0.00 179.01 180.71 1sqq h GLN 222 N 0.55 0.16 0.00 2.33 4.20 -0.49 -3.40 115.11 118.46 1sqq h GLN 222 Ca 0.07 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1sqq h GLN 222 Cb 0.73 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.52 1sqq h GLN 222 CO 0.06 0.67 -0.63 1.19 -0.67 0.00 0.00 178.83 179.45 1sqq n PHE 223 N -4.68 0.00 -0.23 2.96 3.01 0.17 -4.69 117.46 114.00 1sqq n PHE 223 Ca -0.08 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.40 1sqq n PHE 223 Cb 0.34 -0.04 0.02 0.00 -0.01 0.00 0.00 39.48 39.79 1sqq n PHE 223 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1sqq n LEU 224 N -1.34 2.00 -4.57 4.37 4.77 -0.34 -4.87 117.00 117.02 1sqq n LEU 224 Ca 0.00 -2.13 -0.31 0.00 -0.03 0.00 0.00 56.01 53.54 1sqq n LEU 224 Cb 0.09 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 41.05 1sqq n LEU 224 CO 0.09 0.52 1.50 0.21 -1.33 0.00 0.00 177.39 178.38 1sqq s ASN 225 N -1.30 5.44 -0.23 -1.43 2.47 -1.20 -4.39 114.94 114.30 1sqq s ASN 225 Ca 0.06 -1.39 0.01 0.00 0.42 0.00 0.00 52.86 51.96 1sqq s ASN 225 Cb 0.05 -2.58 0.06 0.00 -1.45 0.00 0.00 41.25 37.33 1sqq s ASN 225 CO 0.01 -2.56 -0.08 -0.63 -3.72 0.00 0.00 177.10 170.12 1sqq s ILE 226 N 9.22 1.67 -0.15 -5.21 -1.09 -1.26 -5.02 121.20 119.37 1sqq s ILE 226 Ca 0.65 -1.24 -0.12 0.00 -2.23 0.00 0.00 60.65 57.71 1sqq s ILE 226 Cb -0.02 -1.86 -0.05 0.00 -1.58 0.00 0.00 42.46 38.95 1sqq s ILE 226 CO 0.05 -0.02 0.23 -0.60 -1.23 0.00 0.00 174.94 173.37 1sqq s ARG 227 N 1.34 4.06 0.00 2.79 3.00 -1.26 -0.13 118.95 128.75 1sqq s ARG 227 Ca -0.05 -0.01 0.00 0.00 -1.00 0.00 0.00 55.73 54.67 1sqq s ARG 227 Cb -0.18 -3.36 0.00 0.00 0.00 0.00 0.00 34.95 31.40 1sqq s ARG 227 CO -0.06 0.40 0.00 0.41 0.00 0.00 0.00 175.30 176.04 1sqq n GLY 228 N 3.02 0.66 0.00 8.12 0.00 -1.26 -4.99 105.19 110.73 1sqq n GLY 228 Ca -0.15 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1sqq n GLY 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqq n GLY 229 N -0.16 0.63 3.54 -0.02 0.00 -1.23 -4.92 105.19 103.03 1sqq n GLY 229 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1sqq n GLY 229 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1sqq s LEU 230 N -1.87 0.62 0.00 0.99 1.02 -1.21 -5.04 118.68 113.19 1sqq s LEU 230 Ca 0.00 -1.20 0.00 0.00 0.02 0.00 0.00 54.13 52.95 1sqq s LEU 230 Cb 0.00 1.65 0.00 0.00 0.02 0.00 0.00 46.19 47.86 1sqq s LEU 230 CO 0.00 -1.23 0.00 0.61 0.02 0.00 0.00 176.35 175.75 1sqq n GLY 231 N -0.46 1.67 0.00 -3.19 0.00 -1.26 -4.90 105.19 97.05 1sqq n GLY 231 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1sqq n GLY 231 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1sqq n LEU 232 N 0.00 0.00 -4.44 0.99 -0.00 -1.26 -4.93 117.00 107.36 1sqq n LEU 232 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.58 1sqq n LEU 232 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1sqq n LEU 232 CO 0.00 0.00 1.69 -1.20 -0.00 0.00 0.00 177.39 177.88 1sqq n SER 233 N 0.33 5.07 -2.39 1.45 7.64 -1.26 -4.72 113.62 119.74 1sqq n SER 233 Ca 0.00 -2.96 -0.03 0.00 1.01 0.00 0.00 58.87 56.89 1sqq n SER 233 Cb 0.00 -1.63 0.00 0.00 -1.01 0.00 0.00 64.21 61.58 1sqq n SER 233 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1sqq n GLY 234 N 4.44 -0.50 0.26 0.23 0.00 -1.26 -4.10 105.19 104.27 1sqq n GLY 234 Ca 0.42 -0.03 -0.07 0.00 0.00 0.00 0.00 46.02 46.34 1sqq n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqq h ALA 235 N 0.91 0.80 -3.29 4.61 0.00 -1.92 -3.49 119.26 116.87 1sqq h ALA 235 Ca -0.42 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1sqq h ALA 235 Cb 1.19 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1sqq h ALA 235 CO -0.15 0.33 -0.64 1.17 0.00 0.00 0.00 179.25 179.95 1sqq n LYS 236 N -4.54 -3.76 -2.33 0.00 4.81 -1.26 -5.00 118.16 106.09 1sqq n LYS 236 Ca 0.04 2.83 -0.42 0.00 -0.87 0.00 0.00 58.31 59.89 1sqq n LYS 236 Cb 0.10 -2.91 -0.03 0.00 0.02 0.00 0.00 35.03 32.21 1sqq n LYS 236 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1sqq s ALA 237 N -0.35 3.49 -0.39 3.14 0.00 -1.26 -4.87 121.76 121.52 1sqq s ALA 237 Ca 0.00 0.88 -0.17 0.00 0.00 0.00 0.00 51.96 52.66 1sqq s ALA 237 Cb 0.00 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.62 1sqq s ALA 237 CO 0.00 -0.64 0.44 0.15 0.00 0.00 0.00 175.76 175.71 1sqq s LYS 238 N 1.58 3.30 0.33 0.00 1.02 -1.26 -4.96 119.74 119.75 1sqq s LYS 238 Ca 0.61 -0.56 -0.28 0.00 0.02 0.00 0.00 55.97 55.76 1sqq s LYS 238 Cb -0.31 -3.90 -0.09 0.00 -0.52 0.00 0.00 37.83 33.01 1sqq s LYS 238 CO 0.28 -0.75 1.14 -0.47 -0.92 0.00 0.00 175.35 174.62 1sqq s TYR 239 N 2.19 3.34 0.23 3.18 6.14 -1.26 -2.43 117.35 128.74 1sqq s TYR 239 Ca 0.14 1.62 0.00 0.00 0.64 0.00 0.00 57.07 59.46 1sqq s TYR 239 Cb -0.16 -3.34 0.00 0.00 0.42 0.00 0.00 41.96 38.87 1sqq s TYR 239 CO 0.13 -0.93 0.00 1.58 0.64 0.00 0.00 175.55 176.97 1sqq n HIS 240 N 0.69 -2.14 0.00 4.97 -0.00 0.33 -4.94 115.22 114.13 1sqq n HIS 240 Ca 0.01 0.43 0.00 0.00 -0.00 0.00 0.00 57.72 58.16 1sqq n HIS 240 Cb 0.45 0.82 0.00 0.00 -0.00 0.00 0.00 29.99 31.26 1sqq n HIS 240 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1sqq n GLY 241 N 1.22 0.20 0.00 1.57 0.00 -0.11 -4.92 105.19 103.16 1sqq n GLY 241 Ca 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.10 1sqq n GLY 241 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sqq n GLY 242 N 0.24 0.36 2.96 -0.02 0.00 -0.71 -4.70 105.19 103.32 1sqq n GLY 242 Ca 0.00 -2.24 -0.12 0.00 0.00 0.00 0.00 46.02 43.66 1sqq n GLY 242 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sqq s GLU 243 N -0.36 0.11 0.07 1.61 -1.05 -1.26 -1.51 118.70 116.30 1sqq s GLU 243 Ca 0.00 0.07 0.08 0.00 -0.15 0.00 0.00 54.97 54.97 1sqq s GLU 243 Cb 0.00 0.05 -0.03 0.00 -0.44 0.00 0.00 34.13 33.71 1sqq s GLU 243 CO 0.00 -0.01 -0.21 0.42 0.95 0.00 0.00 175.26 176.40 1sqq s ILE 244 N -0.04 1.72 -0.13 1.83 1.01 -0.41 -4.99 121.20 120.19 1sqq s ILE 244 Ca -0.01 -1.34 -0.04 0.00 0.00 0.00 0.00 60.65 59.27 1sqq s ILE 244 Cb -0.01 -1.52 0.06 0.00 0.01 0.00 0.00 42.46 41.00 1sqq s ILE 244 CO 0.00 0.12 0.15 -0.13 0.00 0.00 0.00 174.94 175.08 1sqq s ARG 245 N -1.44 0.07 -0.45 2.79 0.52 -1.26 -2.41 118.95 116.77 1sqq s ARG 245 Ca 0.08 0.27 -0.02 0.00 -0.52 0.00 0.00 55.73 55.53 1sqq s ARG 245 Cb -0.09 -0.98 0.12 0.00 0.52 0.00 0.00 34.95 34.52 1sqq s ARG 245 CO 0.03 -0.50 0.24 -2.00 0.02 0.00 0.00 175.30 173.09 1sqq s GLU 246 N 2.25 2.08 0.36 3.54 2.12 -0.33 -5.03 118.70 123.69 1sqq s GLU 246 Ca 0.04 -1.97 -0.26 0.00 0.36 0.00 0.00 54.97 53.15 1sqq s GLU 246 Cb -0.14 -3.59 -0.12 0.00 0.26 0.00 0.00 34.13 30.53 1sqq s GLU 246 CO -0.08 -1.09 0.91 1.04 -0.54 0.00 0.00 175.26 175.50 1sqq n GLN 247 N 4.35 1.16 0.17 4.30 1.13 -1.25 -1.47 117.38 125.78 1sqq n GLN 247 Ca -0.00 0.41 0.00 0.00 -1.94 0.00 0.00 57.00 55.47 1sqq n GLN 247 Cb 0.40 -1.83 0.00 0.00 0.11 0.00 0.00 30.24 28.93 1sqq n GLN 247 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1sqq n ASN 248 N 0.98 -1.22 -0.28 1.08 4.05 -0.15 -4.79 115.26 114.92 1sqq n ASN 248 Ca 0.10 0.61 0.00 0.00 0.45 0.00 0.00 54.58 55.74 1sqq n ASN 248 Cb 0.36 1.32 0.00 0.00 1.23 0.00 0.00 39.78 42.69 1sqq n ASN 248 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1sqq n GLY 249 N 0.77 0.00 3.04 8.20 0.00 -1.26 -4.87 105.19 111.06 1sqq n GLY 249 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1sqq n GLY 249 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1sqq n ASP 250 N 0.10 -3.83 0.24 1.61 8.00 -1.26 -4.98 116.55 116.43 1sqq n ASP 250 Ca 0.00 0.06 0.15 0.00 0.71 0.00 0.00 54.79 55.71 1sqq n ASP 250 Cb 0.00 -0.64 0.56 0.00 -0.02 0.00 0.00 41.12 41.02 1sqq n ASP 250 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1sqq h SER 251 N -1.10 0.00 -3.63 -2.24 4.64 -1.98 -3.41 113.55 105.82 1sqq h SER 251 Ca -0.42 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.82 1sqq h SER 251 Cb 1.36 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 63.22 1sqq h SER 251 CO 0.23 0.00 -0.14 -0.76 -0.87 0.00 0.00 176.83 175.29 1sqq s LEU 252 N -5.85 -0.13 -0.24 5.97 1.43 -1.26 -4.55 118.68 114.05 1sqq s LEU 252 Ca 0.03 1.07 -0.29 0.00 -1.03 0.00 0.00 54.13 53.91 1sqq s LEU 252 Cb 0.08 1.75 -0.01 0.00 0.03 0.00 0.00 46.19 48.05 1sqq s LEU 252 CO 0.54 -0.19 1.29 -0.69 0.23 0.00 0.00 176.35 177.53 1sqq s VAL 253 N 0.73 4.20 -0.16 -1.59 1.01 0.95 -4.48 120.40 121.05 1sqq s VAL 253 Ca -0.04 1.40 -0.16 0.00 0.00 0.00 0.00 61.98 63.19 1sqq s VAL 253 Cb -0.05 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1sqq s VAL 253 CO -0.05 -0.32 0.38 -1.00 0.00 0.00 0.00 175.10 174.11 1sqq s HIS 254 N 3.99 3.44 0.00 5.22 3.76 -0.48 -1.02 115.29 130.21 1sqq s HIS 254 Ca 0.56 0.68 0.01 0.00 -0.15 0.00 0.00 55.06 56.15 1sqq s HIS 254 Cb -0.19 -2.46 -0.00 0.00 1.11 0.00 0.00 32.58 31.03 1sqq s HIS 254 CO 0.19 0.13 -0.02 0.00 -0.85 0.00 0.00 174.74 174.19 1sqq s ALA 255 N 0.80 0.17 -0.02 -1.40 0.00 -0.14 -0.13 121.76 121.05 1sqq s ALA 255 Ca 0.20 -0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.07 1sqq s ALA 255 Cb -0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 1sqq s ALA 255 CO 0.07 0.02 -0.19 0.00 0.00 0.00 0.00 175.76 175.66 1sqq s ALA 256 N -0.21 1.58 -0.03 0.00 0.00 0.33 -0.03 121.76 123.41 1sqq s ALA 256 Ca -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1sqq s ALA 256 Cb -0.02 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.72 1sqq s ALA 256 CO -0.00 0.39 -0.00 -1.17 0.00 0.00 0.00 175.76 174.97 1sqq s LEU 257 N -0.43 1.24 -0.06 0.00 0.20 -0.22 -0.82 118.68 118.60 1sqq s LEU 257 Ca 0.07 -0.02 -0.22 0.00 0.69 0.00 0.00 54.13 54.65 1sqq s LEU 257 Cb -0.07 -0.20 0.05 0.00 -0.43 0.00 0.00 46.19 45.53 1sqq s LEU 257 CO -0.01 -0.09 0.49 -0.69 -0.29 0.00 0.00 176.35 175.77 1sqq s VAL 258 N 0.92 0.02 0.14 1.68 1.01 -0.19 -0.99 120.40 122.99 1sqq s VAL 258 Ca -0.09 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 61.71 1sqq s VAL 258 Cb -0.12 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1sqq s VAL 258 CO -0.02 -0.11 -0.05 0.00 0.00 0.00 0.00 175.10 174.92 1sqq s ALA 259 N -0.99 1.28 0.06 5.51 0.00 0.17 -0.17 121.76 127.62 1sqq s ALA 259 Ca -0.10 -1.49 -0.33 0.00 0.00 0.00 0.00 51.96 50.04 1sqq s ALA 259 Cb -0.03 0.28 -0.12 0.00 0.00 0.00 0.00 23.12 23.25 1sqq s ALA 259 CO 0.06 -0.23 1.79 -1.91 0.00 0.00 0.00 175.76 175.47 1sqq n GLU 260 N -0.17 2.44 0.00 0.00 2.13 -1.26 -1.40 120.64 122.37 1sqq n GLU 260 Ca -0.09 0.89 0.00 0.00 0.66 0.00 0.00 57.16 58.61 1sqq n GLU 260 Cb 0.62 -2.74 0.00 0.00 0.27 0.00 0.00 31.44 29.59 1sqq n GLU 260 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1sqq n SER 261 N 5.46 0.00 -3.68 4.31 3.41 0.63 -4.80 113.62 118.95 1sqq n SER 261 Ca 0.19 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.68 1sqq n SER 261 Cb 0.33 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.19 1sqq n SER 261 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sqq s ALA 262 N -3.22 -1.41 0.55 7.33 0.00 -1.26 -4.77 121.76 118.98 1sqq s ALA 262 Ca 0.00 1.67 -0.21 0.00 0.00 0.00 0.00 51.96 53.42 1sqq s ALA 262 Cb 0.00 -0.98 -0.05 0.00 0.00 0.00 0.00 23.12 22.09 1sqq s ALA 262 CO 0.00 -0.28 1.29 0.00 0.00 0.00 0.00 175.76 176.78 1sqq s ALA 263 N 0.54 2.76 0.15 0.00 0.00 -1.24 -4.05 121.76 119.92 1sqq s ALA 263 Ca -0.02 1.20 -0.34 0.00 0.00 0.00 0.00 51.96 52.80 1sqq s ALA 263 Cb -0.04 -3.51 -0.14 0.00 0.00 0.00 0.00 23.12 19.42 1sqq s ALA 263 CO -0.03 -1.23 1.56 1.51 0.00 0.00 0.00 175.76 177.57 1sqq n ILE 264 N -1.10 0.01 0.00 0.00 3.06 0.19 -3.29 119.36 118.23 1sqq n ILE 264 Ca 0.11 -0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.36 1sqq n ILE 264 Cb 0.47 -1.47 0.00 0.00 0.54 0.00 0.00 39.64 39.18 1sqq n ILE 264 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1sqq n GLY 265 N 3.33 2.61 3.25 4.50 0.00 -1.26 -4.94 105.19 112.69 1sqq n GLY 265 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1sqq n GLY 265 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sqq n SER 266 N 0.00 -3.49 -0.28 1.61 3.41 -1.21 -4.97 113.62 108.70 1sqq n SER 266 Ca 0.00 0.45 -0.07 0.00 -0.26 0.00 0.00 58.87 59.00 1sqq n SER 266 Cb 0.00 -0.97 0.06 0.00 -0.26 0.00 0.00 64.21 63.04 1sqq n SER 266 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sqq h ALA 267 N -0.59 0.99 -0.50 7.33 0.00 -1.95 -3.15 119.26 121.39 1sqq h ALA 267 Ca -0.44 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.27 1sqq h ALA 267 Cb 1.35 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1sqq h ALA 267 CO 0.35 0.67 0.33 1.49 0.00 0.00 0.00 179.25 182.10 1sqq h GLU 268 N 1.13 0.59 -0.31 0.00 4.81 -1.93 -0.33 114.58 118.55 1sqq h GLU 268 Ca 0.25 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.51 1sqq h GLU 268 Cb 0.30 -0.13 -0.07 0.00 0.63 0.00 0.00 28.75 29.47 1sqq h GLU 268 CO -0.01 0.39 -0.18 0.00 -0.73 0.00 0.00 179.01 178.48 1sqq h ALA 269 N 1.70 0.04 -0.96 2.92 0.00 -1.75 -2.11 119.26 119.10 1sqq h ALA 269 Ca 0.19 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.24 1sqq h ALA 269 Cb 0.03 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 1sqq h ALA 269 CO -0.05 -0.58 0.63 -0.91 0.00 0.00 0.00 179.25 178.35 1sqq h ASN 270 N -0.15 1.07 -0.48 0.00 4.21 -1.14 -0.49 115.58 118.61 1sqq h ASN 270 Ca 0.16 -0.02 0.06 0.00 1.21 0.00 0.00 56.30 57.71 1sqq h ASN 270 Cb 0.39 -0.26 -0.05 0.00 -1.12 0.00 0.00 38.32 37.28 1sqq h ASN 270 CO -0.40 0.75 0.19 0.00 -1.29 0.00 0.00 177.43 176.68 1sqq h ALA 271 N 1.42 0.59 -0.65 -0.83 0.00 -1.20 0.41 119.26 119.00 1sqq h ALA 271 Ca 0.37 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.34 1sqq h ALA 271 Cb -0.06 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1sqq h ALA 271 CO -0.10 -0.20 0.42 0.74 0.00 0.00 0.00 179.25 180.11 1sqq h PHE 272 N 0.37 0.79 -0.27 0.00 0.04 -0.68 0.88 116.94 118.07 1sqq h PHE 272 Ca 0.22 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.98 1sqq h PHE 272 Cb 0.21 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 1sqq h PHE 272 CO -0.15 0.49 0.02 1.03 -0.60 0.00 0.00 178.31 179.10 1sqq h SER 273 N 0.85 0.36 -0.41 2.17 0.87 0.52 0.75 113.55 118.65 1sqq h SER 273 Ca 0.24 -0.05 -0.10 0.00 -1.23 0.00 0.00 61.79 60.65 1sqq h SER 273 Cb -0.06 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 1sqq h SER 273 CO -0.07 0.41 -0.15 0.58 -0.53 0.00 0.00 176.83 177.07 1sqq h VAL 274 N 0.38 1.28 -0.32 2.23 2.07 -0.37 -3.04 116.25 118.49 1sqq h VAL 274 Ca 0.09 -1.27 -0.05 0.00 0.82 0.00 0.00 66.70 66.28 1sqq h VAL 274 Cb 0.23 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1sqq h VAL 274 CO 0.00 0.43 0.00 0.25 0.02 0.00 0.00 177.57 178.27 1sqq h LEU 275 N 0.65 0.56 -0.98 2.57 5.85 0.13 -0.31 115.31 123.78 1sqq h LEU 275 Ca 0.10 -0.31 0.21 0.00 0.84 0.00 0.00 57.88 58.72 1sqq h LEU 275 Cb 0.70 -0.15 -0.18 0.00 0.37 0.00 0.00 40.66 41.39 1sqq h LEU 275 CO 0.05 0.73 -0.19 -0.61 -0.34 0.00 0.00 178.44 178.08 1sqq h GLN 276 N 0.37 0.00 0.00 1.25 4.15 -1.12 0.87 115.11 120.63 1sqq h GLN 276 Ca 0.09 -0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.43 1sqq h GLN 276 Cb 0.44 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 1sqq h GLN 276 CO 0.02 0.00 -0.39 0.45 -1.93 0.00 0.00 178.83 176.97 1sqq h HIS 277 N 0.00 0.00 -0.08 3.99 3.86 -1.06 0.38 115.15 122.24 1sqq h HIS 277 Ca 0.49 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.73 1sqq h HIS 277 Cb 0.82 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.26 1sqq h HIS 277 CO -0.70 0.39 -0.09 0.28 0.86 0.00 0.00 177.93 178.67 1sqq h VAL 278 N 0.00 0.74 0.01 2.45 2.07 -0.54 -3.38 116.25 117.60 1sqq h VAL 278 Ca -0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 1sqq h VAL 278 Cb 1.28 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1sqq h VAL 278 CO 0.05 0.00 -0.29 -0.07 0.02 0.00 0.00 177.57 177.28 1sqq h LEU 279 N -0.13 0.02 0.00 2.57 3.38 -0.05 -3.31 115.31 117.80 1sqq h LEU 279 Ca 0.06 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.13 1sqq h LEU 279 Cb 0.21 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1sqq h LEU 279 CO -0.15 1.12 0.00 0.61 0.09 0.00 0.00 178.44 180.11 1sqq n GLY 280 N 1.58 3.23 0.00 0.83 0.00 0.12 -1.89 105.19 109.07 1sqq n GLY 280 Ca -0.15 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.61 1sqq n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sqq n ALA 281 N 0.00 0.00 -0.88 4.61 0.00 -1.24 0.13 120.51 123.12 1sqq n ALA 281 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1sqq n ALA 281 Cb 0.00 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.67 1sqq n ALA 281 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sqq n GLY 282 N 5.00 -3.02 3.61 0.00 0.00 -1.26 -4.81 105.19 104.71 1sqq n GLY 282 Ca 0.00 -1.44 -0.29 0.00 0.00 0.00 0.00 46.02 44.30 1sqq n GLY 282 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1sqq s PRO 283 N -4.97 0.01 0.00 1.61 0.02 -1.26 -5.00 135.00 125.41 1sqq s PRO 283 Ca 0.58 0.70 0.00 0.00 0.02 0.00 0.00 61.00 62.29 1sqq s PRO 283 Cb -0.07 -1.67 0.00 0.00 0.02 0.00 0.00 34.50 32.78 1sqq s PRO 283 CO 0.45 -3.06 0.00 0.72 -0.33 0.00 0.00 177.00 174.78 1sqq n HIS 284 N -4.43 0.00 -3.71 6.54 8.25 -1.26 -5.07 115.22 115.54 1sqq n HIS 284 Ca 0.05 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.28 1sqq n HIS 284 Cb 0.56 0.00 -0.18 0.00 1.12 0.00 0.00 29.99 31.49 1sqq n HIS 284 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1sqq s VAL 285 N -1.32 0.13 -0.02 1.59 1.01 -1.26 -5.09 120.40 115.44 1sqq s VAL 285 Ca 0.00 0.17 -0.32 0.00 0.00 0.00 0.00 61.98 61.84 1sqq s VAL 285 Cb 0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 36.38 35.87 1sqq s VAL 285 CO 0.00 0.13 1.95 1.17 0.00 0.00 0.00 175.10 178.35 1sqq n LYS 286 N 5.22 2.57 -3.17 2.72 4.81 -1.26 -1.09 118.16 127.96 1sqq n LYS 286 Ca -0.05 0.94 -0.14 0.00 -0.87 0.00 0.00 58.31 58.18 1sqq n LYS 286 Cb 0.50 -2.86 0.07 0.00 0.02 0.00 0.00 35.03 32.76 1sqq n LYS 286 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1sqq n ARG 287 N 7.21 -4.13 -4.09 1.64 1.74 -1.26 -5.01 116.66 112.76 1sqq n ARG 287 Ca 0.21 0.76 -0.30 0.00 -0.77 0.00 0.00 57.85 57.76 1sqq n ARG 287 Cb 0.36 -5.44 -0.07 0.00 -1.02 0.00 0.00 32.46 26.29 1sqq n ARG 287 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1sqq s GLY 288 N -3.82 1.96 0.20 -0.13 0.00 -0.25 -5.01 107.32 100.28 1sqq s GLY 288 Ca 0.19 -1.07 0.20 0.00 0.00 0.00 0.00 44.72 44.03 1sqq s GLY 288 CO 0.65 -1.05 1.62 -1.14 0.00 0.00 0.00 173.10 173.18 1sqq n SER 289 N 0.52 0.48 -3.15 1.64 3.41 -1.26 -4.93 113.62 110.33 1sqq n SER 289 Ca -0.10 0.64 -0.10 0.00 -0.26 0.00 0.00 58.87 59.05 1sqq n SER 289 Cb 0.52 -0.73 0.04 0.00 -0.26 0.00 0.00 64.21 63.78 1sqq n SER 289 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1sqq n ASN 290 N -2.05 -6.96 0.03 4.04 4.13 -1.26 -4.85 115.26 108.34 1sqq n ASN 290 Ca 0.02 -0.48 -0.14 0.00 1.68 0.00 0.00 54.58 55.66 1sqq n ASN 290 Cb 0.18 -5.16 -0.04 0.00 -1.54 0.00 0.00 39.78 33.22 1sqq n ASN 290 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1sqq h ALA 291 N 0.11 0.38 0.00 5.41 0.00 -2.03 -2.47 119.26 120.66 1sqq h ALA 291 Ca -0.39 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 53.87 1sqq h ALA 291 Cb 1.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1sqq h ALA 291 CO 0.38 0.75 0.00 0.25 0.00 0.00 0.00 179.25 180.63 1sqq n THR 292 N -3.84 0.00 -3.06 0.00 -2.24 -1.26 -4.76 114.28 99.12 1sqq n THR 292 Ca -0.07 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.28 1sqq n THR 292 Cb 0.78 -0.21 -0.06 0.00 -2.10 0.00 0.00 70.33 68.74 1sqq n THR 292 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1sqq s SER 293 N -1.40 6.33 0.15 3.42 0.15 -0.93 -4.92 113.70 116.49 1sqq s SER 293 Ca 0.17 -0.39 -0.17 0.00 0.70 0.00 0.00 55.95 56.26 1sqq s SER 293 Cb 0.08 -2.34 0.06 0.00 -1.71 0.00 0.00 66.02 62.11 1sqq s SER 293 CO 0.13 -0.87 1.71 -1.28 1.20 0.00 0.00 173.24 174.13 1sqq h SER 294 N 8.96 -0.10 -0.44 5.45 0.87 -1.56 -0.14 113.55 126.59 1sqq h SER 294 Ca -0.26 0.07 -0.08 0.00 -1.23 0.00 0.00 61.79 60.30 1sqq h SER 294 Cb 1.09 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.16 1sqq h SER 294 CO 0.94 -0.02 -0.02 -0.07 -0.53 0.00 0.00 176.83 177.14 1sqq h LEU 295 N 0.12 0.78 0.38 2.23 3.38 -1.68 -1.46 115.31 119.06 1sqq h LEU 295 Ca 0.16 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 1sqq h LEU 295 Cb 0.21 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1sqq h LEU 295 CO -0.26 0.91 -0.18 0.22 0.09 0.00 0.00 178.44 179.22 1sqq h TYR 296 N 0.64 -0.47 -1.04 1.13 3.20 -1.67 -0.44 116.97 118.32 1sqq h TYR 296 Ca 0.12 -0.01 0.30 0.00 3.14 0.00 0.00 58.73 62.29 1sqq h TYR 296 Cb 0.52 0.15 -0.13 0.00 1.54 0.00 0.00 36.73 38.81 1sqq h TYR 296 CO 0.04 -0.14 0.62 1.96 -1.64 0.00 0.00 178.16 179.00 1sqq h GLN 297 N -0.93 0.37 -0.26 1.82 1.08 -1.06 0.15 115.11 116.27 1sqq h GLN 297 Ca -0.05 -0.02 -0.19 0.00 -1.45 0.00 0.00 58.65 56.94 1sqq h GLN 297 Cb 0.54 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.89 1sqq h GLN 297 CO 0.08 0.25 -0.57 0.00 -0.95 0.00 0.00 178.83 177.64 1sqq h ALA 298 N 1.76 0.48 -0.14 3.87 0.00 -0.31 -2.43 119.26 122.50 1sqq h ALA 298 Ca 0.70 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1sqq h ALA 298 Cb 1.61 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1sqq h ALA 298 CO -0.51 0.68 -0.25 0.28 0.00 0.00 0.00 179.25 179.46 1sqq h VAL 299 N 0.63 1.37 -0.92 0.00 2.07 0.82 -3.28 116.25 116.93 1sqq h VAL 299 Ca 0.01 -1.50 0.03 0.00 0.82 0.00 0.00 66.70 66.06 1sqq h VAL 299 Cb 1.17 2.00 -0.05 0.00 -1.52 0.00 0.00 31.29 32.89 1sqq h VAL 299 CO 0.12 0.44 0.60 0.00 0.02 0.00 0.00 177.57 178.75 1sqq h ALA 300 N 0.56 1.21 -0.54 1.67 0.00 -0.92 0.20 119.26 121.43 1sqq h ALA 300 Ca 0.01 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.98 1sqq h ALA 300 Cb 0.83 -0.33 -0.11 0.00 0.00 0.00 0.00 17.79 18.18 1sqq h ALA 300 CO 0.06 0.47 -0.28 -0.22 0.00 0.00 0.00 179.25 179.27 1sqq h LYS 301 N 1.17 -0.14 -0.48 0.00 3.64 -1.50 -2.40 116.57 116.85 1sqq h LYS 301 Ca 0.36 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.66 1sqq h LYS 301 Cb -0.02 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1sqq h LYS 301 CO -0.11 -0.10 -0.05 0.78 -2.27 0.00 0.00 179.45 177.70 1sqq h GLY 302 N -0.15 0.91 -6.32 5.01 0.00 -1.21 -3.47 103.07 97.84 1sqq h GLY 302 Ca 0.23 -0.65 -0.48 0.00 0.00 0.00 0.00 47.33 46.42 1sqq h GLY 302 CO -0.62 0.60 -0.80 0.14 0.00 0.00 0.00 176.54 175.86 1sqq s VAL 303 N -4.91 0.88 0.12 4.60 1.01 0.56 -5.10 120.40 117.56 1sqq s VAL 303 Ca -0.10 -0.27 0.08 0.00 0.00 0.00 0.00 61.98 61.69 1sqq s VAL 303 Cb 0.14 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 1sqq s VAL 303 CO 0.83 0.32 -0.11 -1.00 0.00 0.00 0.00 175.10 175.13 1sqq s HIS 304 N 1.19 2.69 0.00 5.22 0.09 -1.26 -4.45 115.29 118.77 1sqq s HIS 304 Ca -0.06 -0.18 0.00 0.00 -0.00 0.00 0.00 55.06 54.82 1sqq s HIS 304 Cb -0.14 -1.40 0.00 0.00 -0.00 0.00 0.00 32.58 31.04 1sqq s HIS 304 CO -0.02 0.43 0.00 0.94 -0.00 0.00 0.00 174.74 176.09 1sqq n GLN 305 N 0.63 0.00 -1.60 1.40 -0.06 -1.26 -4.94 117.38 111.55 1sqq n GLN 305 Ca -0.14 0.00 -0.45 0.00 -2.00 0.00 0.00 57.00 54.41 1sqq n GLN 305 Cb 0.53 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.67 1sqq n GLN 305 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 1sqq n PRO 306 N 0.00 2.06 -4.08 3.69 -0.02 -1.26 -5.01 135.00 130.37 1sqq n PRO 306 Ca 0.00 0.66 -0.10 0.00 -2.02 0.00 0.00 63.50 62.04 1sqq n PRO 306 Cb 0.00 -2.95 -0.09 0.00 -0.02 0.00 0.00 33.50 30.45 1sqq n PRO 306 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1sqq s PHE 307 N 6.50 0.72 0.12 6.00 -0.12 -1.26 -4.08 117.98 125.86 1sqq s PHE 307 Ca 0.98 -1.06 0.06 0.00 -0.05 0.00 0.00 56.93 56.86 1sqq s PHE 307 Cb -0.51 -0.29 -0.04 0.00 -0.63 0.00 0.00 43.02 41.55 1sqq s PHE 307 CO 0.42 -0.65 -0.14 0.34 -0.05 0.00 0.00 175.22 175.14 1sqq s ASP 308 N -3.04 2.00 0.02 1.98 3.68 -0.27 -4.99 116.67 116.05 1sqq s ASP 308 Ca 0.25 -0.80 0.03 0.00 2.13 0.00 0.00 52.55 54.15 1sqq s ASP 308 Cb 0.05 -0.07 -0.02 0.00 -1.45 0.00 0.00 42.92 41.44 1sqq s ASP 308 CO 0.04 -0.14 -0.09 0.68 0.13 0.00 0.00 175.17 175.79 1sqq s VAL 309 N -2.08 0.69 0.03 1.11 -7.23 -1.26 -1.37 120.40 110.29 1sqq s VAL 309 Ca 0.08 -0.74 0.00 0.00 -1.81 0.00 0.00 61.98 59.52 1sqq s VAL 309 Cb -0.05 -0.66 -0.02 0.00 0.56 0.00 0.00 36.38 36.21 1sqq s VAL 309 CO 0.03 -0.06 -0.04 -0.55 -0.31 0.00 0.00 175.10 174.17 1sqq s SER 310 N -0.90 0.38 0.38 4.85 0.15 -0.01 -4.79 113.70 113.76 1sqq s SER 310 Ca -0.02 -0.52 -0.28 0.00 0.70 0.00 0.00 55.95 55.83 1sqq s SER 310 Cb -0.06 0.09 -0.10 0.00 -1.71 0.00 0.00 66.02 64.23 1sqq s SER 310 CO 0.00 -0.29 1.41 0.00 1.20 0.00 0.00 173.24 175.57 1sqq s ALA 311 N -1.50 3.48 -0.11 5.45 0.00 0.12 0.33 121.76 129.53 1sqq s ALA 311 Ca -0.14 1.44 0.02 0.00 0.00 0.00 0.00 51.96 53.28 1sqq s ALA 311 Cb -0.10 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 1sqq s ALA 311 CO -0.01 -0.93 -0.19 0.12 0.00 0.00 0.00 175.76 174.74 1sqq s PHE 312 N -1.15 2.66 -0.30 0.00 5.36 0.27 -4.66 117.98 120.17 1sqq s PHE 312 Ca 0.53 -0.85 -0.03 0.00 -0.96 0.00 0.00 56.93 55.62 1sqq s PHE 312 Cb -0.43 -1.76 0.11 0.00 -0.34 0.00 0.00 43.02 40.60 1sqq s PHE 312 CO 0.58 -0.32 0.17 1.21 -1.46 0.00 0.00 175.22 175.41 1sqq s ASN 313 N 0.30 3.09 -0.18 6.13 3.84 -1.26 -1.48 114.94 125.38 1sqq s ASN 313 Ca -0.15 -1.26 -0.04 0.00 0.21 0.00 0.00 52.86 51.63 1sqq s ASN 313 Cb -0.17 -0.17 -0.02 0.00 -0.55 0.00 0.00 41.25 40.34 1sqq s ASN 313 CO 0.07 -0.42 -0.03 0.00 -2.79 0.00 0.00 177.10 173.93 1sqq s ALA 314 N 2.06 2.94 -0.07 1.71 0.00 0.57 -5.00 121.76 123.97 1sqq s ALA 314 Ca 0.10 -0.95 0.05 0.00 0.00 0.00 0.00 51.96 51.15 1sqq s ALA 314 Cb -0.16 -1.63 -0.00 0.00 0.00 0.00 0.00 23.12 21.33 1sqq s ALA 314 CO -0.33 -0.04 -0.22 0.45 0.00 0.00 0.00 175.76 175.62 1sqq s SER 315 N 0.81 2.84 0.00 0.00 0.15 -1.26 -0.09 113.70 116.14 1sqq s SER 315 Ca -0.01 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.15 1sqq s SER 315 Cb -0.14 -1.03 0.00 0.00 -1.71 0.00 0.00 66.02 63.13 1sqq s SER 315 CO 0.02 0.18 0.00 -1.22 1.20 0.00 0.00 173.24 173.42 1sqq n TYR 316 N 3.28 -0.24 0.48 3.44 4.02 0.29 -4.67 117.16 123.76 1sqq n TYR 316 Ca -0.19 0.00 0.13 0.00 -0.01 0.00 0.00 57.90 57.83 1sqq n TYR 316 Cb 0.52 0.00 0.43 0.00 -0.02 0.00 0.00 39.34 40.28 1sqq n TYR 316 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1sqq h SER 317 N 0.00 0.00 0.00 7.72 4.64 -1.95 0.54 113.55 124.50 1sqq h SER 317 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sqq h SER 317 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1sqq h SER 317 CO 0.00 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 175.29 1sqq n ASP 318 N -2.40 0.00 0.00 4.97 4.64 -1.26 -4.54 116.55 117.96 1sqq n ASP 318 Ca 0.04 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.45 1sqq n ASP 318 Cb 0.36 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.44 1sqq n ASP 318 CO 0.00 0.00 0.00 -0.24 -0.82 0.00 0.00 177.20 176.14 1sqq n SER 319 N 0.00 0.00 -3.59 1.67 2.88 -1.26 -4.75 113.62 108.57 1sqq n SER 319 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 1sqq n SER 319 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 1sqq n SER 319 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1sqq s GLY 320 N 0.00 -0.24 -0.17 0.46 0.00 -1.26 -0.55 107.32 105.57 1sqq s GLY 320 Ca 0.00 1.87 -0.03 0.00 0.00 0.00 0.00 44.72 46.56 1sqq s GLY 320 CO 0.00 0.75 -0.05 1.08 0.00 0.00 0.00 173.10 174.89 1sqq s LEU 321 N -1.71 3.09 0.03 0.66 1.43 0.87 -0.27 118.68 122.79 1sqq s LEU 321 Ca 0.06 -0.23 0.07 0.00 -1.03 0.00 0.00 54.13 53.00 1sqq s LEU 321 Cb -0.01 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 1sqq s LEU 321 CO -0.04 0.11 -0.21 0.12 0.23 0.00 0.00 176.35 176.55 1sqq s PHE 322 N 0.73 1.86 0.00 0.29 5.36 -0.50 -0.31 117.98 125.41 1sqq s PHE 322 Ca -0.02 -0.37 0.00 0.00 -0.96 0.00 0.00 56.93 55.58 1sqq s PHE 322 Cb -0.15 -1.12 0.00 0.00 -0.34 0.00 0.00 43.02 41.41 1sqq s PHE 322 CO 0.02 0.08 0.00 0.41 -1.46 0.00 0.00 175.22 174.27 1sqq n GLY 323 N 1.95 -0.56 3.40 13.12 0.00 -0.55 0.44 105.19 122.99 1sqq n GLY 323 Ca -0.17 0.51 -0.10 0.00 0.00 0.00 0.00 46.02 46.26 1sqq n GLY 323 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1sqq s PHE 324 N 0.00 0.14 -0.10 1.61 -0.12 -0.17 0.96 117.98 120.30 1sqq s PHE 324 Ca 0.00 -0.49 -0.00 0.00 -0.05 0.00 0.00 56.93 56.38 1sqq s PHE 324 Cb 0.00 0.14 0.02 0.00 -0.63 0.00 0.00 43.02 42.56 1sqq s PHE 324 CO 0.00 -0.78 -0.06 -0.47 -0.05 0.00 0.00 175.22 173.85 1sqq s TYR 325 N -3.91 1.29 -0.08 3.49 5.04 0.15 -1.05 117.35 122.27 1sqq s TYR 325 Ca 0.12 -0.59 0.01 0.00 -2.44 0.00 0.00 57.07 54.18 1sqq s TYR 325 Cb 0.02 -1.11 -0.03 0.00 0.35 0.00 0.00 41.96 41.19 1sqq s TYR 325 CO -0.03 -0.44 -0.10 0.95 -1.34 0.00 0.00 175.55 174.59 1sqq s THR 326 N 1.64 3.39 -0.15 4.34 -4.23 0.95 -0.83 115.64 120.76 1sqq s THR 326 Ca 0.03 -0.58 -0.02 0.00 -1.18 0.00 0.00 61.69 59.94 1sqq s THR 326 Cb -0.13 -2.39 -0.02 0.00 1.34 0.00 0.00 72.50 71.30 1sqq s THR 326 CO -0.06 0.57 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.87 1sqq s ILE 327 N -0.42 3.39 0.11 2.99 1.01 -0.47 -0.96 121.20 126.85 1sqq s ILE 327 Ca 0.06 -0.53 -0.05 0.00 0.00 0.00 0.00 60.65 60.12 1sqq s ILE 327 Cb -0.12 -2.46 -0.02 0.00 0.01 0.00 0.00 42.46 39.87 1sqq s ILE 327 CO 0.02 0.51 0.13 -0.94 0.00 0.00 0.00 174.94 174.66 1sqq s SER 328 N 0.43 0.22 0.31 3.58 1.04 -0.19 -1.12 113.70 117.98 1sqq s SER 328 Ca -0.07 -0.94 -0.27 0.00 0.48 0.00 0.00 55.95 55.16 1sqq s SER 328 Cb -0.15 0.33 -0.14 0.00 0.10 0.00 0.00 66.02 66.15 1sqq s SER 328 CO 0.04 -0.75 0.80 0.00 0.98 0.00 0.00 173.24 174.31 1sqq n GLN 329 N -0.08 0.89 -0.13 4.02 1.13 -1.26 -0.04 117.38 121.92 1sqq n GLN 329 Ca -0.10 0.31 -0.05 0.00 -1.94 0.00 0.00 57.00 55.22 1sqq n GLN 329 Cb 0.63 -1.60 0.03 0.00 0.11 0.00 0.00 30.24 29.41 1sqq n GLN 329 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1sqq h ALA 330 N 1.48 0.49 -0.09 -1.58 0.00 -1.85 0.68 119.26 118.39 1sqq h ALA 330 Ca -0.38 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1sqq h ALA 330 Cb 1.37 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1sqq h ALA 330 CO 0.57 -0.25 -0.09 0.00 0.00 0.00 0.00 179.25 179.49 1sqq h ALA 331 N 1.27 1.69 -0.13 0.00 0.00 -1.93 -2.99 119.26 117.19 1sqq h ALA 331 Ca 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1sqq h ALA 331 Cb 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1sqq h ALA 331 CO -0.20 0.23 0.00 0.43 0.00 0.00 0.00 179.25 179.71 1sqq n SER 332 N -4.36 1.07 0.20 0.00 7.64 0.21 -4.47 113.62 113.91 1sqq n SER 332 Ca -0.01 -1.67 -0.14 0.00 1.01 0.00 0.00 58.87 58.06 1sqq n SER 332 Cb 0.21 -0.08 -0.08 0.00 -1.01 0.00 0.00 64.21 63.25 1sqq n SER 332 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sqq h ALA 333 N 3.79 -0.52 -0.85 -0.43 0.00 -1.34 0.80 119.26 120.71 1sqq h ALA 333 Ca 0.00 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 54.90 1sqq h ALA 333 Cb 0.30 0.20 -0.11 0.00 0.00 0.00 0.00 17.79 18.19 1sqq h ALA 333 CO 0.00 -0.63 0.39 0.78 0.00 0.00 0.00 179.25 179.79 1sqq h GLY 334 N -0.84 1.40 0.86 0.00 0.00 -1.67 0.56 103.07 103.38 1sqq h GLY 334 Ca -0.05 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 1sqq h GLY 334 CO 0.09 -0.15 0.01 -0.55 0.00 0.00 0.00 176.54 175.94 1sqq h ASP 335 N 0.49 0.44 -0.10 0.19 3.45 -1.74 0.27 116.42 119.43 1sqq h ASP 335 Ca 0.49 -0.29 -0.00 0.00 0.43 0.00 0.00 57.03 57.66 1sqq h ASP 335 Cb 0.82 -0.12 -0.00 0.00 -0.56 0.00 0.00 39.33 39.47 1sqq h ASP 335 CO -0.44 0.63 0.06 0.58 -1.57 0.00 0.00 179.24 178.49 1sqq h VAL 336 N 0.24 1.07 -0.11 -1.35 2.07 -0.08 -0.35 116.25 117.74 1sqq h VAL 336 Ca 0.08 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1sqq h VAL 336 Cb 0.39 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1sqq h VAL 336 CO 0.01 0.06 0.05 0.40 0.02 0.00 0.00 177.57 178.10 1sqq h ILE 337 N 0.08 1.14 -0.19 4.57 2.04 -0.82 -0.73 117.51 123.60 1sqq h ILE 337 Ca 0.03 -0.42 -0.08 0.00 1.00 0.00 0.00 64.86 65.39 1sqq h ILE 337 Cb 0.05 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1sqq h ILE 337 CO -0.01 0.13 -0.24 0.11 0.00 0.00 0.00 178.15 178.14 1sqq h LYS 338 N 0.03 0.35 0.41 2.37 1.57 -0.31 0.16 116.57 121.14 1sqq h LYS 338 Ca 0.04 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1sqq h LYS 338 Cb 0.16 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1sqq h LYS 338 CO -0.00 0.57 -0.20 0.00 -0.57 0.00 0.00 179.45 179.25 1sqq h ALA 339 N 1.44 -0.55 -0.53 3.86 0.00 -0.85 -2.17 119.26 120.46 1sqq h ALA 339 Ca 0.05 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.87 1sqq h ALA 339 Cb 0.60 0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 1sqq h ALA 339 CO 0.04 -0.69 0.10 0.00 0.00 0.00 0.00 179.25 178.71 1sqq h ALA 340 N -0.33 0.60 -0.41 0.00 0.00 -0.45 -1.44 119.26 117.23 1sqq h ALA 340 Ca -0.06 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1sqq h ALA 340 Cb 0.54 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1sqq h ALA 340 CO 0.09 -0.31 0.18 -0.92 0.00 0.00 0.00 179.25 178.29 1sqq h TYR 341 N 0.24 0.33 0.00 0.00 3.20 -0.67 -1.79 116.97 118.27 1sqq h TYR 341 Ca 0.27 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.11 1sqq h TYR 341 Cb 0.37 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 1sqq h TYR 341 CO -0.24 0.15 -0.21 -0.91 -1.64 0.00 0.00 178.16 175.31 1sqq h ASN 342 N 0.37 0.00 -0.45 -2.11 -0.26 -0.61 -1.82 115.58 110.70 1sqq h ASN 342 Ca 0.18 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.83 1sqq h ASN 342 Cb 0.12 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.37 1sqq h ASN 342 CO -0.15 0.21 -0.06 -0.61 -1.06 0.00 0.00 177.43 175.76 1sqq h GLN 343 N 0.00 0.84 0.03 0.81 5.75 -0.57 0.67 115.11 122.64 1sqq h GLN 343 Ca -0.00 -0.30 0.01 0.00 -0.15 0.00 0.00 58.65 58.21 1sqq h GLN 343 Cb 0.38 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 1sqq h GLN 343 CO 0.03 0.92 -0.06 0.28 -2.65 0.00 0.00 178.83 177.35 1sqq h VAL 344 N 0.68 0.85 -0.92 2.39 2.07 -1.07 -2.41 116.25 117.84 1sqq h VAL 344 Ca 0.12 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.86 1sqq h VAL 344 Cb 0.58 0.85 -0.12 0.00 -1.52 0.00 0.00 31.29 31.08 1sqq h VAL 344 CO 0.03 0.00 0.45 0.11 0.02 0.00 0.00 177.57 178.18 1sqq h LYS 345 N -0.12 0.46 -0.62 1.57 1.57 -0.74 0.13 116.57 118.82 1sqq h LYS 345 Ca 0.01 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.80 1sqq h LYS 345 Cb 0.13 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 1sqq h LYS 345 CO -0.04 0.30 0.41 0.00 -0.57 0.00 0.00 179.45 179.56 1sqq h THR 346 N 0.47 1.07 -0.06 -0.16 1.03 -0.37 0.20 112.91 115.09 1sqq h THR 346 Ca 0.57 -0.24 -0.12 0.00 -0.01 0.00 0.00 66.41 66.61 1sqq h THR 346 Cb 1.06 0.30 0.01 0.00 -1.07 0.00 0.00 68.15 68.44 1sqq h THR 346 CO -0.50 0.13 -0.44 0.40 -0.01 0.00 0.00 175.52 175.11 1sqq h ILE 347 N 0.71 1.41 -0.92 0.00 2.04 -0.63 -2.28 117.51 117.84 1sqq h ILE 347 Ca 0.25 -1.85 0.09 0.00 1.00 0.00 0.00 64.86 64.36 1sqq h ILE 347 Cb 0.12 2.36 -0.07 0.00 -0.74 0.00 0.00 36.82 38.49 1sqq h ILE 347 CO -0.07 0.54 0.59 0.00 0.00 0.00 0.00 178.15 179.21 1sqq h ALA 348 N 0.41 1.59 0.00 1.87 0.00 -0.95 0.47 119.26 122.65 1sqq h ALA 348 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1sqq h ALA 348 Cb 1.10 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1sqq h ALA 348 CO 0.09 0.23 0.00 1.04 0.00 0.00 0.00 179.25 180.61 1sqq n GLN 349 N -4.53 0.42 0.00 0.00 6.02 0.02 -4.70 117.38 114.61 1sqq n GLN 349 Ca 0.15 0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 1sqq n GLN 349 Cb 0.29 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.05 1sqq n GLN 349 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sqq n GLY 350 N 0.57 0.95 3.58 1.08 0.00 0.15 -5.05 105.19 106.46 1sqq n GLY 350 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1sqq n GLY 350 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sqq s ASN 351 N -1.15 6.84 -0.02 1.61 -0.87 -0.86 -4.89 114.94 115.59 1sqq s ASN 351 Ca 0.00 -2.46 0.03 0.00 -1.57 0.00 0.00 52.86 48.86 1sqq s ASN 351 Cb 0.00 -2.57 0.00 0.00 -0.02 0.00 0.00 41.25 38.66 1sqq s ASN 351 CO 0.00 -1.16 -0.10 -0.76 -2.57 0.00 0.00 177.10 172.51 1sqq s LEU 352 N 4.14 1.83 0.95 0.60 1.43 -1.26 -4.35 118.68 122.02 1sqq s LEU 352 Ca 0.54 -0.20 -0.11 0.00 -1.03 0.00 0.00 54.13 53.32 1sqq s LEU 352 Cb 0.04 -0.58 0.16 0.00 0.03 0.00 0.00 46.19 45.84 1sqq s LEU 352 CO 0.08 0.08 1.09 -0.44 0.23 0.00 0.00 176.35 177.39 1sqq s SER 353 N 0.11 2.86 0.08 2.29 0.01 -1.26 -5.01 113.70 112.78 1sqq s SER 353 Ca -0.02 1.73 -0.35 0.00 1.31 0.00 0.00 55.95 58.62 1sqq s SER 353 Cb -0.08 -2.35 -0.18 0.00 0.21 0.00 0.00 66.02 63.62 1sqq s SER 353 CO 0.00 -3.06 1.59 -1.13 0.41 0.00 0.00 173.24 171.06 1sqq h ASN 354 N -1.84 -1.04 -0.04 2.44 -0.73 -2.01 -3.24 115.58 109.12 1sqq h ASN 354 Ca -0.50 0.06 -0.05 0.00 1.87 0.00 0.00 56.30 57.68 1sqq h ASN 354 Cb 1.28 0.30 -0.01 0.00 0.27 0.00 0.00 38.32 40.16 1sqq h ASN 354 CO 0.50 -0.65 -0.12 1.55 -0.37 0.00 0.00 177.43 178.34 1sqq h PRO 355 N -1.04 0.32 -0.59 6.67 0.13 -1.98 -0.29 132.00 135.22 1sqq h PRO 355 Ca -0.09 -0.08 0.11 0.00 -0.87 0.00 0.00 66.00 65.07 1sqq h PRO 355 Cb 0.83 -0.04 -0.11 0.00 0.13 0.00 0.00 31.00 31.81 1sqq h PRO 355 CO 0.09 0.45 -0.31 -0.44 -0.23 0.00 0.00 178.00 177.57 1sqq h ASP 356 N 0.31 -1.07 -0.18 1.44 3.45 -1.97 0.60 116.42 119.00 1sqq h ASP 356 Ca 0.06 0.22 -0.01 0.00 0.43 0.00 0.00 57.03 57.73 1sqq h ASP 356 Cb 0.40 0.55 -0.01 0.00 -0.56 0.00 0.00 39.33 39.71 1sqq h ASP 356 CO 0.02 -0.29 0.07 0.58 -1.57 0.00 0.00 179.24 178.05 1sqq h VAL 357 N -0.14 1.16 -0.94 -1.35 2.07 -1.31 -2.91 116.25 112.82 1sqq h VAL 357 Ca 0.24 -0.48 0.13 0.00 0.82 0.00 0.00 66.70 67.41 1sqq h VAL 357 Cb 0.54 1.14 -0.09 0.00 -1.52 0.00 0.00 31.29 31.37 1sqq h VAL 357 CO -0.67 0.15 0.56 -0.61 0.02 0.00 0.00 177.57 177.02 1sqq h GLN 358 N 0.13 0.84 -0.33 1.57 5.75 -0.49 -0.14 115.11 122.44 1sqq h GLN 358 Ca 0.06 -0.05 -0.14 0.00 -0.15 0.00 0.00 58.65 58.37 1sqq h GLN 358 Cb 0.17 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 1sqq h GLN 358 CO -0.00 0.56 -0.34 0.00 -2.65 0.00 0.00 178.83 176.39 1sqq h ALA 359 N 1.53 0.76 -0.14 3.38 0.00 -0.85 1.00 119.26 124.94 1sqq h ALA 359 Ca 0.48 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1sqq h ALA 359 Cb 0.53 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1sqq h ALA 359 CO -0.29 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.62 1sqq h ALA 360 N 0.98 0.12 -0.42 0.00 0.00 -1.13 0.55 119.26 119.37 1sqq h ALA 360 Ca 0.06 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1sqq h ALA 360 Cb 0.88 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.66 1sqq h ALA 360 CO 0.08 -0.45 -0.04 0.87 0.00 0.00 0.00 179.25 179.71 1sqq h LYS 361 N 0.05 0.06 -0.76 0.00 1.57 -0.61 0.34 116.57 117.21 1sqq h LYS 361 Ca 0.07 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1sqq h LYS 361 Cb 0.08 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 1sqq h LYS 361 CO -0.11 0.04 0.41 -0.91 -0.57 0.00 0.00 179.45 178.31 1sqq h ASN 362 N 0.06 0.96 -0.42 0.86 -0.26 -0.23 0.99 115.58 117.55 1sqq h ASN 362 Ca 0.21 -0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 1sqq h ASN 362 Cb 0.31 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.30 1sqq h ASN 362 CO -0.38 0.79 0.27 0.11 -1.06 0.00 0.00 177.43 177.15 1sqq h LYS 363 N 1.06 0.56 0.02 0.81 1.57 0.28 0.78 116.57 121.66 1sqq h LYS 363 Ca 0.27 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1sqq h LYS 363 Cb 0.05 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1sqq h LYS 363 CO -0.04 0.40 -0.01 1.25 -0.57 0.00 0.00 179.45 180.48 1sqq h LEU 364 N 0.56 -0.02 0.14 2.94 5.85 -0.12 0.26 115.31 124.92 1sqq h LEU 364 Ca 0.15 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1sqq h LEU 364 Cb -0.03 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1sqq h LEU 364 CO -0.03 0.25 -0.23 0.11 -0.34 0.00 0.00 178.44 178.21 1sqq h LYS 365 N -0.30 -0.42 -0.65 1.25 1.57 -0.68 -0.19 116.57 117.15 1sqq h LYS 365 Ca -0.00 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1sqq h LYS 365 Cb 0.29 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 1sqq h LYS 365 CO 0.00 -0.28 0.31 0.00 -0.57 0.00 0.00 179.45 178.92 1sqq h ALA 366 N 0.33 1.33 -0.18 3.86 0.00 -0.81 -1.99 119.26 121.79 1sqq h ALA 366 Ca 0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1sqq h ALA 366 Cb 0.44 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1sqq h ALA 366 CO -0.11 0.52 0.06 0.78 0.00 0.00 0.00 179.25 180.51 1sqq h GLY 367 N 0.99 0.30 0.94 0.00 0.00 -0.37 -1.89 103.07 103.04 1sqq h GLY 367 Ca 0.23 -0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.40 1sqq h GLY 367 CO -0.03 0.16 0.19 -1.82 0.00 0.00 0.00 176.54 175.04 1sqq h TYR 368 N 0.12 0.36 -0.20 5.60 3.20 -0.36 -0.53 116.97 125.16 1sqq h TYR 368 Ca 0.06 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1sqq h TYR 368 Cb 0.20 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1sqq h TYR 368 CO -0.01 0.21 0.13 -0.07 -1.64 0.00 0.00 178.16 176.79 1sqq h LEU 369 N 0.39 0.23 0.10 2.82 3.38 -0.99 -0.76 115.31 120.48 1sqq h LEU 369 Ca 0.12 -0.01 -0.28 0.00 0.09 0.00 0.00 57.88 57.81 1sqq h LEU 369 Cb -0.01 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1sqq h LEU 369 CO -0.05 0.17 -1.34 0.24 0.09 0.00 0.00 178.44 177.55 1sqq h MET 370 N 0.28 0.20 0.00 1.13 2.86 -0.50 -3.01 114.93 115.89 1sqq h MET 370 Ca 0.07 -0.35 -0.01 0.00 -2.06 0.00 0.00 59.70 57.35 1sqq h MET 370 Cb -0.03 0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 1sqq h MET 370 CO -0.02 1.10 -0.06 0.66 1.06 0.00 0.00 176.91 179.66 1sqq h SER 371 N 0.06 0.00 -0.61 1.22 4.64 0.39 -2.76 113.55 116.49 1sqq h SER 371 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1sqq h SER 371 Cb 1.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.05 1sqq h SER 371 CO 0.17 0.06 0.00 1.33 -0.87 0.00 0.00 176.83 177.52 1sqq n VAL 372 N -3.31 1.57 0.28 0.95 0.24 -1.06 -3.93 118.33 113.07 1sqq n VAL 372 Ca -0.01 -1.17 0.13 0.00 -2.04 0.00 0.00 64.34 61.24 1sqq n VAL 372 Cb 0.22 0.24 0.80 0.00 -1.47 0.00 0.00 33.84 33.63 1sqq n VAL 372 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1sqq h GLU 373 N 3.74 0.00 -5.49 7.34 4.81 -1.51 -3.34 114.58 120.13 1sqq h GLU 373 Ca 0.00 0.00 -0.43 0.00 -0.13 0.00 0.00 59.36 58.80 1sqq h GLU 373 Cb 1.26 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 30.47 1sqq h GLU 373 CO 0.15 0.04 -0.75 -1.54 -0.73 0.00 0.00 179.01 176.18 1sqq s SER 374 N -6.37 2.20 0.13 1.04 1.04 -1.26 -5.01 113.70 105.46 1sqq s SER 374 Ca -0.04 -0.89 -0.28 0.00 0.48 0.00 0.00 55.95 55.22 1sqq s SER 374 Cb 0.15 -0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 1sqq s SER 374 CO 0.59 -0.15 1.59 0.28 0.98 0.00 0.00 173.24 176.53 1sqq h SER 375 N 3.19 -1.18 -0.90 7.02 0.02 -1.97 0.11 113.55 119.85 1sqq h SER 375 Ca -0.39 0.16 0.21 0.00 -0.84 0.00 0.00 61.79 60.93 1sqq h SER 375 Cb 1.20 0.49 -0.06 0.00 0.14 0.00 0.00 62.40 64.17 1sqq h SER 375 CO 0.54 -0.40 0.60 -0.08 -1.14 0.00 0.00 176.83 176.35 1sqq h GLU 376 N -0.46 0.35 0.00 3.45 4.81 -1.97 -1.55 114.58 119.21 1sqq h GLU 376 Ca 0.08 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 1sqq h GLU 376 Cb 0.60 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 1sqq h GLU 376 CO -0.37 0.23 -0.75 0.78 -0.73 0.00 0.00 179.01 178.17 1sqq h GLY 377 N 0.36 0.00 -0.99 1.92 0.00 -1.31 -2.76 103.07 100.29 1sqq h GLY 377 Ca 0.46 0.00 0.14 0.00 0.00 0.00 0.00 47.33 47.93 1sqq h GLY 377 CO -0.16 0.00 -0.43 0.33 0.00 0.00 0.00 176.54 176.28 1sqq n PHE 378 N -4.56 -0.08 -0.16 5.60 7.35 -0.15 -1.72 117.46 123.74 1sqq n PHE 378 Ca -0.16 1.22 -0.06 0.00 -0.76 0.00 0.00 57.45 57.70 1sqq n PHE 378 Cb 0.41 -0.80 0.04 0.00 0.35 0.00 0.00 39.48 39.47 1sqq n PHE 378 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 1sqq h LEU 379 N 0.00 0.45 -1.37 -2.13 5.85 -1.38 0.37 115.31 117.10 1sqq h LEU 379 Ca 0.30 0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.03 1sqq h LEU 379 Cb 0.55 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1sqq h LEU 379 CO -0.97 0.32 0.39 -0.78 -0.34 0.00 0.00 178.44 177.05 1sqq h ASP 380 N 0.56 0.71 0.19 1.25 1.82 -1.26 -0.13 116.42 119.56 1sqq h ASP 380 Ca 0.20 -0.03 -0.27 0.00 -0.39 0.00 0.00 57.03 56.55 1sqq h ASP 380 Cb 0.04 -0.18 0.03 0.00 0.68 0.00 0.00 39.33 39.91 1sqq h ASP 380 CO -0.10 0.53 -1.18 -0.08 -1.61 0.00 0.00 179.24 176.80 1sqq h GLU 381 N 0.83 0.46 -0.22 0.28 4.57 -0.29 -0.88 114.58 119.33 1sqq h GLU 381 Ca 0.22 -0.75 -0.01 0.00 -1.18 0.00 0.00 59.36 57.65 1sqq h GLU 381 Cb -0.07 0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 1sqq h GLU 381 CO -0.05 1.35 0.11 0.28 -1.18 0.00 0.00 179.01 179.53 1sqq h VAL 382 N -0.04 1.13 -0.80 0.32 2.07 -0.20 -1.10 116.25 117.62 1sqq h VAL 382 Ca -0.20 -0.36 0.14 0.00 0.82 0.00 0.00 66.70 67.10 1sqq h VAL 382 Cb 1.92 0.97 -0.09 0.00 -1.52 0.00 0.00 31.29 32.56 1sqq h VAL 382 CO 0.22 0.13 0.37 1.23 0.02 0.00 0.00 177.57 179.54 1sqq h GLY 383 N 0.23 1.27 1.96 2.17 0.00 -1.01 -1.53 103.07 106.16 1sqq h GLY 383 Ca 0.08 -0.20 -0.13 0.00 0.00 0.00 0.00 47.33 47.08 1sqq h GLY 383 CO -0.01 -0.07 -0.61 1.76 0.00 0.00 0.00 176.54 177.62 1sqq h SER 384 N 0.53 0.04 0.05 0.19 0.02 -0.48 -2.68 113.55 111.23 1sqq h SER 384 Ca 0.44 -0.03 -0.15 0.00 -0.84 0.00 0.00 61.79 61.22 1sqq h SER 384 Cb 0.64 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 63.19 1sqq h SER 384 CO -0.38 0.64 -0.61 1.56 -1.14 0.00 0.00 176.83 176.90 1sqq h GLN 385 N 0.03 0.33 -0.80 3.45 4.20 -0.85 -1.57 115.11 119.90 1sqq h GLN 385 Ca -0.01 -0.42 0.18 0.00 0.06 0.00 0.00 58.65 58.46 1sqq h GLN 385 Cb 1.08 0.13 -0.11 0.00 0.30 0.00 0.00 27.48 28.88 1sqq h GLN 385 CO 0.08 1.13 0.28 0.00 -0.67 0.00 0.00 178.83 179.65 1sqq h ALA 386 N 0.22 1.15 0.15 3.87 0.00 -0.96 -1.88 119.26 121.81 1sqq h ALA 386 Ca -0.09 0.16 -0.31 0.00 0.00 0.00 0.00 54.91 54.66 1sqq h ALA 386 Cb 1.38 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1sqq h ALA 386 CO 0.12 -0.31 -1.53 -0.07 0.00 0.00 0.00 179.25 177.46 1sqq h LEU 387 N 0.35 0.50 -1.34 0.00 3.38 -1.43 -0.60 115.31 116.18 1sqq h LEU 387 Ca 0.47 -0.65 -0.06 0.00 0.09 0.00 0.00 57.88 57.73 1sqq h LEU 387 Cb 0.82 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1sqq h LEU 387 CO -0.50 1.53 -0.30 0.00 0.09 0.00 0.00 178.44 179.26 1sqq h ALA 388 N 0.39 1.25 0.00 1.53 0.00 -0.68 -3.40 119.26 118.34 1sqq h ALA 388 Ca -0.25 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1sqq h ALA 388 Cb 2.05 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1sqq h ALA 388 CO 0.19 0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.81 1sqq n ALA 389 N -2.37 0.10 -1.10 0.00 0.00 -0.76 -5.06 120.51 111.32 1sqq n ALA 389 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.39 1sqq n ALA 389 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.82 1sqq n ALA 389 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sqq n GLY 390 N -0.23 0.63 3.19 0.00 0.00 -0.23 -4.98 105.19 103.57 1sqq n GLY 390 Ca 0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.49 1sqq n GLY 390 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sqq s SER 391 N -2.48 1.48 -0.14 1.61 0.01 -1.26 -4.97 113.70 107.95 1sqq s SER 391 Ca 0.00 -0.89 -0.10 0.00 1.31 0.00 0.00 55.95 56.28 1sqq s SER 391 Cb 0.00 0.02 -0.05 0.00 0.21 0.00 0.00 66.02 66.20 1sqq s SER 391 CO 0.00 -0.31 0.19 -0.47 0.41 0.00 0.00 173.24 173.06 1sqq s TYR 392 N -2.82 3.54 -0.27 2.43 6.14 -1.26 -3.58 117.35 121.54 1sqq s TYR 392 Ca 0.09 0.53 0.03 0.00 0.64 0.00 0.00 57.07 58.35 1sqq s TYR 392 Cb -0.00 -2.10 0.07 0.00 0.42 0.00 0.00 41.96 40.35 1sqq s TYR 392 CO -0.01 0.53 -0.07 0.99 0.64 0.00 0.00 175.55 177.63 1sqq s THR 393 N -0.42 2.04 0.76 4.34 2.01 -1.26 -5.11 115.64 117.99 1sqq s THR 393 Ca 0.14 -1.65 -0.11 0.00 0.31 0.00 0.00 61.69 60.38 1sqq s THR 393 Cb -0.12 -2.23 0.05 0.00 0.01 0.00 0.00 72.50 70.20 1sqq s THR 393 CO 0.03 -0.14 1.09 -2.84 -0.69 0.00 0.00 174.62 172.07 1sqq s PRO 394 N 1.14 2.35 0.29 4.92 0.02 -1.26 -4.74 135.00 137.72 1sqq s PRO 394 Ca -0.05 1.14 0.03 0.00 0.02 0.00 0.00 61.00 62.14 1sqq s PRO 394 Cb -0.20 -1.91 0.44 0.00 0.02 0.00 0.00 34.50 32.86 1sqq s PRO 394 CO -0.06 -1.57 1.74 -1.35 -0.33 0.00 0.00 177.00 175.44 1sqq h PRO 395 N -1.05 0.47 -0.77 5.54 0.11 -1.99 -2.00 132.00 132.32 1sqq h PRO 395 Ca -0.44 -0.17 0.14 0.00 0.11 0.00 0.00 66.00 65.65 1sqq h PRO 395 Cb 1.23 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 1sqq h PRO 395 CO 0.52 0.67 0.51 0.66 -0.21 0.00 0.00 178.00 180.15 1sqq h SER 396 N 0.43 0.44 0.63 -2.05 4.64 -1.98 0.36 113.55 116.02 1sqq h SER 396 Ca 0.07 0.02 -0.24 0.00 -0.47 0.00 0.00 61.79 61.17 1sqq h SER 396 Cb 0.62 -0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 62.61 1sqq h SER 396 CO 0.04 0.23 -1.52 0.00 -0.87 0.00 0.00 176.83 174.72 1sqq h THR 397 N 0.48 0.79 -0.13 2.95 1.03 -1.74 0.20 112.91 116.50 1sqq h THR 397 Ca 0.37 -2.50 0.04 0.00 -0.01 0.00 0.00 66.41 64.31 1sqq h THR 397 Cb 0.78 2.32 -0.05 0.00 -1.07 0.00 0.00 68.15 70.13 1sqq h THR 397 CO -0.13 0.45 -0.19 0.58 -0.01 0.00 0.00 175.52 176.22 1sqq h VAL 398 N 0.00 0.51 -0.36 0.00 2.07 -0.75 0.17 116.25 117.89 1sqq h VAL 398 Ca -0.22 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1sqq h VAL 398 Cb 1.83 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 1sqq h VAL 398 CO 0.07 0.00 0.19 -0.07 0.02 0.00 0.00 177.57 177.78 1sqq h LEU 399 N -0.24 0.43 -0.80 2.57 3.38 -0.32 0.85 115.31 121.18 1sqq h LEU 399 Ca 0.10 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1sqq h LEU 399 Cb 0.39 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1sqq h LEU 399 CO -0.27 0.36 0.45 -0.61 0.09 0.00 0.00 178.44 178.46 1sqq h GLN 400 N 0.50 1.11 -0.04 1.13 4.15 -0.41 -1.96 115.11 119.57 1sqq h GLN 400 Ca 0.13 -0.12 -0.06 0.00 0.77 0.00 0.00 58.65 59.36 1sqq h GLN 400 Cb 0.03 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.51 1sqq h GLN 400 CO -0.02 0.81 -0.22 1.96 -1.93 0.00 0.00 178.83 179.43 1sqq h GLN 401 N 1.10 0.22 -0.72 1.69 4.20 0.12 -2.49 115.11 119.24 1sqq h GLN 401 Ca 0.28 -0.18 0.15 0.00 0.06 0.00 0.00 58.65 58.96 1sqq h GLN 401 Cb 0.02 0.04 -0.13 0.00 0.30 0.00 0.00 27.48 27.70 1sqq h GLN 401 CO -0.05 0.84 -0.14 0.82 -0.67 0.00 0.00 178.83 179.64 1sqq h ILE 402 N -0.33 0.30 -0.08 2.54 2.04 -0.93 -2.49 117.51 118.55 1sqq h ILE 402 Ca -0.02 -0.01 -0.06 0.00 1.00 0.00 0.00 64.86 65.78 1sqq h ILE 402 Cb 0.88 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 1sqq h ILE 402 CO 0.05 0.00 -0.23 0.44 0.00 0.00 0.00 178.15 178.41 1sqq h ASP 403 N 0.02 0.14 0.66 1.72 3.45 -1.11 -1.89 116.42 119.41 1sqq h ASP 403 Ca 0.36 -0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.78 1sqq h ASP 403 Cb 0.57 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 39.30 1sqq h ASP 403 CO -0.72 0.38 0.00 0.00 -1.57 0.00 0.00 179.24 177.33 1sqq n ALA 404 N -2.49 1.76 -1.93 3.45 0.00 -0.94 -4.65 120.51 115.72 1sqq n ALA 404 Ca -0.01 -0.01 -0.43 0.00 0.00 0.00 0.00 53.44 52.98 1sqq n ALA 404 Cb 0.32 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 1sqq n ALA 404 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1sqq s VAL 405 N -3.10 3.41 0.47 0.00 1.01 -0.71 -4.99 120.40 116.50 1sqq s VAL 405 Ca 0.07 0.44 -0.22 0.00 0.00 0.00 0.00 61.98 62.27 1sqq s VAL 405 Cb 0.10 -3.49 -0.07 0.00 0.00 0.00 0.00 36.38 32.92 1sqq s VAL 405 CO 0.34 -0.27 1.17 0.00 0.00 0.00 0.00 175.10 176.34 1sqq s ALA 406 N 6.48 2.93 0.21 5.51 0.00 -1.26 -4.97 121.76 130.66 1sqq s ALA 406 Ca 0.82 0.93 -0.05 0.00 0.00 0.00 0.00 51.96 53.66 1sqq s ALA 406 Cb -0.27 -3.38 0.37 0.00 0.00 0.00 0.00 23.12 19.83 1sqq s ALA 406 CO 0.33 -0.69 1.15 -0.25 0.00 0.00 0.00 175.76 176.30 1sqq n ASP 407 N -0.61 -0.24 0.11 0.00 10.43 -1.26 -1.39 116.55 123.60 1sqq n ASP 407 Ca 0.08 1.27 0.03 0.00 2.57 0.00 0.00 54.79 58.74 1sqq n ASP 407 Cb 0.48 -0.39 0.43 0.00 1.84 0.00 0.00 41.12 43.48 1sqq n ASP 407 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1sqq h ALA 408 N 1.48 1.61 -0.78 2.24 0.00 -1.99 -1.63 119.26 120.18 1sqq h ALA 408 Ca 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1sqq h ALA 408 Cb 0.58 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1sqq h ALA 408 CO -0.75 0.29 0.49 -0.44 0.00 0.00 0.00 179.25 178.83 1sqq h ASP 409 N 0.26 0.92 -0.05 0.00 3.32 -1.60 0.68 116.42 119.95 1sqq h ASP 409 Ca 0.06 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 1sqq h ASP 409 Cb 0.24 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1sqq h ASP 409 CO 0.01 0.69 0.02 0.58 -1.72 0.00 0.00 179.24 178.82 1sqq h VAL 410 N 1.06 1.17 -0.28 -1.35 2.07 -1.16 0.31 116.25 118.08 1sqq h VAL 410 Ca 0.28 -0.52 0.07 0.00 0.82 0.00 0.00 66.70 67.34 1sqq h VAL 410 Cb -0.07 1.43 -0.07 0.00 -1.52 0.00 0.00 31.29 31.05 1sqq h VAL 410 CO -0.06 0.15 -0.24 0.40 0.02 0.00 0.00 177.57 177.84 1sqq h ILE 411 N -0.11 0.38 -0.23 4.57 1.08 -1.19 -1.98 117.51 120.02 1sqq h ILE 411 Ca 0.02 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.46 1sqq h ILE 411 Cb 0.22 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 34.34 1sqq h ILE 411 CO -0.00 0.00 0.03 0.78 -0.69 0.00 0.00 178.15 178.27 1sqq h ASN 412 N -0.23 0.30 -0.44 1.72 2.35 -0.43 0.23 115.58 119.08 1sqq h ASN 412 Ca 0.15 -0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 1sqq h ASN 412 Cb 0.46 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 1sqq h ASN 412 CO -0.41 0.33 0.10 0.00 -1.65 0.00 0.00 177.43 175.79 1sqq h ALA 413 N 1.72 0.58 -0.31 -0.83 0.00 -0.67 0.22 119.26 119.96 1sqq h ALA 413 Ca 0.08 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1sqq h ALA 413 Cb 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1sqq h ALA 413 CO -0.00 0.27 0.18 0.00 0.00 0.00 0.00 179.25 179.70 1sqq h ALA 414 N 0.96 0.40 -0.79 0.00 0.00 -0.36 -1.25 119.26 118.22 1sqq h ALA 414 Ca 0.14 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.13 1sqq h ALA 414 Cb 0.34 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.91 1sqq h ALA 414 CO 0.00 -0.08 0.36 0.87 0.00 0.00 0.00 179.25 180.40 1sqq h LYS 415 N 0.39 0.51 -0.29 0.00 1.57 -0.36 0.24 116.57 118.63 1sqq h LYS 415 Ca 0.11 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1sqq h LYS 415 Cb 0.04 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1sqq h LYS 415 CO -0.02 0.34 0.18 -0.22 -0.57 0.00 0.00 179.45 179.16 1sqq h LYS 416 N 0.52 0.39 -0.08 3.15 3.64 -0.15 -2.48 116.57 121.57 1sqq h LYS 416 Ca 0.43 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.80 1sqq h LYS 416 Cb 0.63 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 1sqq h LYS 416 CO -0.38 0.29 -0.07 0.35 -2.27 0.00 0.00 179.45 177.37 1sqq h PHE 417 N 0.37 -0.17 -0.52 1.91 3.57 0.18 -2.67 116.94 119.61 1sqq h PHE 417 Ca 0.10 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 1sqq h PHE 417 Cb 0.00 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1sqq h PHE 417 CO -0.05 -0.11 0.15 0.28 -2.23 0.00 0.00 178.31 176.35 1sqq h VAL 418 N -0.09 1.21 -0.01 1.41 2.07 -0.97 -2.27 116.25 117.60 1sqq h VAL 418 Ca 0.06 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.84 1sqq h VAL 418 Cb 0.17 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1sqq h VAL 418 CO -0.13 0.28 -0.23 -1.54 0.02 0.00 0.00 177.57 175.96 1sqq n SER 419 N -4.30 1.25 -4.82 0.57 3.41 -0.95 -4.96 113.62 103.82 1sqq n SER 419 Ca 0.04 -1.08 -0.37 0.00 -0.26 0.00 0.00 58.87 57.19 1sqq n SER 419 Cb 0.20 0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 64.24 1sqq n SER 419 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1sqq s GLY 420 N -2.41 2.59 0.10 5.00 0.00 -0.86 -4.99 107.32 106.76 1sqq s GLY 420 Ca 0.26 -0.02 -0.33 0.00 0.00 0.00 0.00 44.72 44.63 1sqq s GLY 420 CO 0.49 0.35 1.75 -2.13 0.00 0.00 0.00 173.10 173.56 1sqq n ARG 421 N 1.39 2.46 -3.02 2.90 0.63 -1.26 -4.90 116.66 114.85 1sqq n ARG 421 Ca -0.09 0.89 -0.22 0.00 -0.92 0.00 0.00 57.85 57.52 1sqq n ARG 421 Cb 0.51 -2.73 0.01 0.00 0.45 0.00 0.00 32.46 30.70 1sqq n ARG 421 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1sqq s LYS 422 N 2.25 2.99 -0.01 -0.14 1.02 -1.26 -4.42 119.74 120.17 1sqq s LYS 422 Ca 0.82 -0.65 0.00 0.00 0.02 0.00 0.00 55.97 56.16 1sqq s LYS 422 Cb -0.59 -2.60 0.01 0.00 -0.52 0.00 0.00 37.83 34.13 1sqq s LYS 422 CO 0.40 -0.28 0.01 -1.12 -0.92 0.00 0.00 175.35 173.44 1sqq s SER 423 N -4.24 0.08 -0.03 2.83 0.01 0.76 -1.74 113.70 111.36 1sqq s SER 423 Ca 0.49 0.01 -0.01 0.00 1.31 0.00 0.00 55.95 57.75 1sqq s SER 423 Cb -0.10 -0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.11 1sqq s SER 423 CO 0.37 -0.05 0.07 -0.32 0.41 0.00 0.00 173.24 173.71 1sqq s MET 424 N 0.46 0.03 0.02 12.44 1.75 -0.57 -1.02 119.30 132.41 1sqq s MET 424 Ca -0.04 0.20 0.05 0.00 -1.25 0.00 0.00 55.69 54.65 1sqq s MET 424 Cb -0.06 -0.13 -0.02 0.00 2.84 0.00 0.00 34.83 37.46 1sqq s MET 424 CO -0.01 -0.11 -0.15 0.00 -0.65 0.00 0.00 175.02 174.10 1sqq s ALA 425 N 0.73 1.24 -0.11 4.11 0.00 0.00 -1.29 121.76 126.44 1sqq s ALA 425 Ca -0.06 -0.78 -0.10 0.00 0.00 0.00 0.00 51.96 51.03 1sqq s ALA 425 Cb -0.08 -0.24 0.03 0.00 0.00 0.00 0.00 23.12 22.83 1sqq s ALA 425 CO -0.03 0.27 0.30 0.00 0.00 0.00 0.00 175.76 176.30 1sqq s ALA 426 N -0.66 -0.73 0.05 0.00 0.00 -1.01 0.12 121.76 119.54 1sqq s ALA 426 Ca 0.04 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.90 1sqq s ALA 426 Cb -0.07 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.48 1sqq s ALA 426 CO 0.01 -0.16 -0.04 -1.54 0.00 0.00 0.00 175.76 174.03 1sqq s SER 427 N 0.39 0.62 0.00 0.00 1.04 0.82 -1.19 113.70 115.38 1sqq s SER 427 Ca -0.02 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.56 1sqq s SER 427 Cb -0.04 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1sqq s SER 427 CO -0.02 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.35 1sqq n GLY 428 N 0.53 0.88 3.56 7.32 0.00 -0.54 -1.38 105.19 115.56 1sqq n GLY 428 Ca -0.17 -2.14 -0.39 0.00 0.00 0.00 0.00 46.02 43.32 1sqq n GLY 428 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1sqq s ASN 429 N -0.83 5.44 0.00 1.61 3.84 -1.26 -0.98 114.94 122.76 1sqq s ASN 429 Ca 0.00 0.45 0.23 0.00 0.21 0.00 0.00 52.86 53.75 1sqq s ASN 429 Cb 0.00 -2.53 0.50 0.00 -0.55 0.00 0.00 41.25 38.67 1sqq s ASN 429 CO 0.00 -2.23 1.43 0.18 -2.79 0.00 0.00 177.10 173.70 1sqq n LEU 430 N 12.12 2.77 0.00 3.21 4.77 -1.26 -4.48 117.00 134.13 1sqq n LEU 430 Ca 0.20 -1.11 0.05 0.00 -0.03 0.00 0.00 56.01 55.13 1sqq n LEU 430 Cb 0.51 -0.14 0.28 0.00 -2.33 0.00 0.00 43.42 41.74 1sqq n LEU 430 CO 0.71 0.55 0.61 0.61 -1.33 0.00 0.00 177.39 178.54 1sqq n GLY 431 N 1.36 -0.61 0.00 -0.72 0.00 -1.26 -0.14 105.19 103.81 1sqq n GLY 431 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1sqq n GLY 431 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1sqq n HIS 432 N -1.26 0.00 -2.51 1.61 8.25 -1.26 -5.00 115.22 115.05 1sqq n HIS 432 Ca 0.05 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.09 1sqq n HIS 432 Cb 0.08 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.17 1sqq n HIS 432 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1sqq s THR 433 N -0.05 4.42 0.63 1.59 2.01 0.80 -2.22 115.64 122.82 1sqq s THR 433 Ca 0.00 1.72 -0.11 0.00 0.31 0.00 0.00 61.69 63.61 1sqq s THR 433 Cb 0.00 -4.11 0.16 0.00 0.01 0.00 0.00 72.50 68.56 1sqq s THR 433 CO 0.00 -0.12 0.52 -0.81 -0.69 0.00 0.00 174.62 173.52 1sqq n PRO 434 N 6.26 -2.30 0.00 4.92 -0.04 -1.26 -4.97 135.00 137.61 1sqq n PRO 434 Ca 0.13 -0.84 0.00 0.00 -0.04 0.00 0.00 63.50 62.74 1sqq n PRO 434 Cb 0.46 -0.83 0.00 0.00 -0.04 0.00 0.00 33.50 33.08 1sqq n PRO 434 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1sqq n PHE 435 N -3.80 0.00 0.00 0.54 3.72 -1.26 -5.01 117.46 111.65 1sqq n PHE 435 Ca 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.47 1sqq n PHE 435 Cb 0.29 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 1sqq n PHE 435 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1sqq n ILE 436 N -0.01 0.00 0.00 4.37 5.41 -1.26 -4.57 119.36 123.29 1sqq n ILE 436 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1sqq n ILE 436 Cb 0.15 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.08 1sqq n ILE 436 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1sqq n ASP 437 N 4.15 0.00 -0.97 4.38 9.92 -1.26 -1.05 116.55 131.72 1sqq n ASP 437 Ca 0.00 0.00 0.12 0.00 -0.53 0.00 0.00 54.79 54.38 1sqq n ASP 437 Cb 0.00 0.00 0.12 0.00 -0.64 0.00 0.00 41.12 40.60 1sqq n ASP 437 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1sqq n GLU 438 N -1.64 2.34 0.00 -1.24 1.02 -1.26 -5.25 120.64 114.60 1sqq n GLU 438 Ca 0.00 -1.95 0.15 0.00 -0.02 0.00 0.00 57.16 55.34 1sqq n GLU 438 Cb 0.00 -1.47 0.69 0.00 -0.02 0.00 0.00 31.44 30.64 1sqq n GLU 438 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59