#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sux s SER 3 N 0.00 3.40 0.38 0.00 0.15 -1.26 -4.96 113.70 111.41 1sux s SER 3 Ca 0.00 2.10 -0.25 0.00 0.70 0.00 0.00 55.95 58.50 1sux s SER 3 Cb 0.00 -2.56 -0.09 0.00 -1.71 0.00 0.00 66.02 61.67 1sux s SER 3 CO 0.00 -2.78 1.10 -0.54 1.20 0.00 0.00 173.24 172.22 1sux s LYS 4 N -4.69 4.19 0.90 5.44 1.02 -1.26 -4.97 119.74 120.38 1sux s LYS 4 Ca 0.66 1.68 -0.15 0.00 0.02 0.00 0.00 55.97 58.17 1sux s LYS 4 Cb -0.21 -2.69 0.21 0.00 -0.52 0.00 0.00 37.83 34.62 1sux s LYS 4 CO 0.57 -0.16 1.05 -0.35 -0.92 0.00 0.00 175.35 175.54 1sux n PRO 5 N 0.18 -1.73 -1.71 -1.68 -0.04 -1.26 -4.93 135.00 123.84 1sux n PRO 5 Ca 0.04 -1.63 -0.42 0.00 -0.04 0.00 0.00 63.50 61.44 1sux n PRO 5 Cb 0.48 -1.23 -0.03 0.00 -0.04 0.00 0.00 33.50 32.67 1sux n PRO 5 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1sux n GLN 6 N -3.72 2.77 -1.86 0.54 7.27 -1.26 -4.96 117.38 116.16 1sux n GLN 6 Ca 0.14 1.00 -0.32 0.00 0.07 0.00 0.00 57.00 57.88 1sux n GLN 6 Cb 0.49 -2.87 0.03 0.00 2.41 0.00 0.00 30.24 30.30 1sux n GLN 6 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 1sux s PRO 7 N 1.81 3.08 -0.06 3.69 0.04 -1.26 -4.86 135.00 137.44 1sux s PRO 7 Ca 0.78 1.20 0.03 0.00 0.04 0.00 0.00 61.00 63.06 1sux s PRO 7 Cb -0.50 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.05 1sux s PRO 7 CO 0.34 -1.00 -0.15 0.42 0.04 0.00 0.00 177.00 176.65 1sux s ILE 8 N -2.55 1.33 -0.35 0.56 1.01 -0.54 -0.91 121.20 119.75 1sux s ILE 8 Ca 0.63 -0.63 0.04 0.00 0.00 0.00 0.00 60.65 60.70 1sux s ILE 8 Cb -0.17 -1.18 0.10 0.00 0.01 0.00 0.00 42.46 41.23 1sux s ILE 8 CO 0.42 0.39 0.06 0.00 0.00 0.00 0.00 174.94 175.82 1sux s ALA 9 N 0.35 2.90 -0.13 9.38 0.00 -0.42 -1.67 121.76 132.17 1sux s ALA 9 Ca -0.10 -2.57 -0.04 0.00 0.00 0.00 0.00 51.96 49.25 1sux s ALA 9 Cb -0.14 -1.97 -0.03 0.00 0.00 0.00 0.00 23.12 20.97 1sux s ALA 9 CO 0.04 -1.71 0.02 0.00 0.00 0.00 0.00 175.76 174.10 1sux s ALA 10 N 0.84 3.30 -0.24 0.00 0.00 0.09 -1.10 121.76 124.65 1sux s ALA 10 Ca 0.11 -0.78 -0.06 0.00 0.00 0.00 0.00 51.96 51.23 1sux s ALA 10 Cb -0.19 -1.64 -0.02 0.00 0.00 0.00 0.00 23.12 21.26 1sux s ALA 10 CO -0.08 0.41 0.04 0.00 0.00 0.00 0.00 175.76 176.13 1sux s ALA 11 N -0.32 3.08 -0.50 0.00 0.00 0.18 0.16 121.76 124.35 1sux s ALA 11 Ca 0.07 -1.11 -0.10 0.00 0.00 0.00 0.00 51.96 50.83 1sux s ALA 11 Cb -0.12 -1.96 0.13 0.00 0.00 0.00 0.00 23.12 21.17 1sux s ALA 11 CO 0.02 -0.41 0.38 1.21 0.00 0.00 0.00 175.76 176.96 1sux s ASN 12 N 1.48 5.77 0.00 0.00 2.47 0.13 -0.46 114.94 124.33 1sux s ASN 12 Ca 0.06 -1.99 0.19 0.00 0.42 0.00 0.00 52.86 51.54 1sux s ASN 12 Cb -0.15 -2.03 0.93 0.00 -1.45 0.00 0.00 41.25 38.56 1sux s ASN 12 CO 0.02 -0.69 1.58 0.79 -3.72 0.00 0.00 177.10 175.08 1sux n TRP 13 N 4.82 0.00 -1.94 0.43 8.01 -1.06 -4.37 117.44 123.34 1sux n TRP 13 Ca -0.07 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.12 1sux n TRP 13 Cb 0.41 -0.31 0.00 0.00 -2.01 0.00 0.00 31.31 29.40 1sux n TRP 13 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1sux n LYS 14 N -1.31 0.00 -1.96 -0.99 5.02 -1.26 -2.89 118.16 114.77 1sux n LYS 14 Ca 0.08 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.97 1sux n LYS 14 Cb 0.16 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.16 1sux n LYS 14 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sux s ASN 16 N 1.12 0.24 0.00 0.00 0.01 -1.14 -5.14 114.94 110.03 1sux s ASN 16 Ca 0.51 -0.58 0.00 0.00 -0.71 0.00 0.00 52.86 52.08 1sux s ASN 16 Cb 0.15 0.18 0.00 0.00 0.41 0.00 0.00 41.25 42.00 1sux s ASN 16 CO -0.06 -0.46 0.00 0.61 -1.51 0.00 0.00 177.10 175.69 1sux n GLY 17 N 0.94 4.18 3.47 0.66 0.00 -1.26 -4.69 105.19 108.48 1sux n GLY 17 Ca -0.20 -1.53 -0.14 0.00 0.00 0.00 0.00 46.02 44.15 1sux n GLY 17 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1sux s SER 18 N 0.00 -0.57 0.14 1.61 1.04 -1.26 -5.02 113.70 109.64 1sux s SER 18 Ca 0.00 0.27 -0.17 0.00 0.48 0.00 0.00 55.95 56.53 1sux s SER 18 Cb 0.00 0.54 -0.00 0.00 0.10 0.00 0.00 66.02 66.66 1sux s SER 18 CO 0.00 -0.78 1.78 -0.08 0.98 0.00 0.00 173.24 175.14 1sux h GLU 19 N 2.37 0.36 0.00 4.02 4.81 -2.01 0.15 114.58 124.29 1sux h GLU 19 Ca -0.30 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.90 1sux h GLU 19 Cb 1.24 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.53 1sux h GLU 19 CO 0.37 0.24 -0.05 0.66 -0.73 0.00 0.00 179.01 179.50 1sux h SER 20 N 0.37 0.00 0.04 1.04 4.64 -2.01 -1.76 113.55 115.87 1sux h SER 20 Ca 0.13 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.31 1sux h SER 20 Cb 0.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1sux h SER 20 CO -0.06 0.05 -0.68 0.25 -0.87 0.00 0.00 176.83 175.52 1sux h LEU 21 N 0.00 0.13 -0.87 5.97 6.46 -1.81 -3.39 115.31 121.79 1sux h LEU 21 Ca -0.00 -0.84 -0.11 0.00 -0.12 0.00 0.00 57.88 56.81 1sux h LEU 21 Cb 0.10 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 39.98 1sux h LEU 21 CO 0.01 1.29 -0.37 -0.07 -0.62 0.00 0.00 178.44 178.67 1sux h LEU 22 N -0.80 0.40 -0.07 2.25 3.38 -0.86 -3.22 115.31 116.38 1sux h LEU 22 Ca -0.16 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.69 1sux h LEU 22 Cb 1.29 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.88 1sux h LEU 22 CO -0.03 0.74 -0.27 0.58 0.09 0.00 0.00 178.44 179.56 1sux h VAL 23 N 0.32 0.39 -0.47 1.22 2.07 -1.52 0.19 116.25 118.45 1sux h VAL 23 Ca 0.03 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.47 1sux h VAL 23 Cb 0.80 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 1sux h VAL 23 CO 0.06 0.00 -0.04 -0.65 0.02 0.00 0.00 177.57 176.97 1sux h PRO 24 N -0.37 0.80 -0.53 1.57 0.11 -1.78 -2.24 132.00 129.56 1sux h PRO 24 Ca 0.08 -0.24 -0.01 0.00 0.11 0.00 0.00 66.00 65.95 1sux h PRO 24 Cb 0.49 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.49 1sux h PRO 24 CO -0.28 0.83 0.30 1.25 -0.21 0.00 0.00 178.00 179.89 1sux h LEU 25 N 0.74 0.66 -1.08 2.35 6.46 -1.44 -2.04 115.31 120.96 1sux h LEU 25 Ca 0.14 -0.09 -0.07 0.00 -0.12 0.00 0.00 57.88 57.74 1sux h LEU 25 Cb 0.51 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.25 1sux h LEU 25 CO 0.03 0.56 -0.06 0.40 -0.62 0.00 0.00 178.44 178.74 1sux h ILE 26 N 0.72 1.23 -0.09 4.05 2.04 -0.42 -2.31 117.51 122.71 1sux h ILE 26 Ca 0.19 -0.96 -0.08 0.00 1.00 0.00 0.00 64.86 65.01 1sux h ILE 26 Cb 0.04 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1sux h ILE 26 CO -0.03 0.32 -0.29 -0.08 0.00 0.00 0.00 178.15 178.08 1sux h GLU 27 N 0.54 0.17 -0.36 2.37 4.57 -0.97 -0.53 114.58 120.38 1sux h GLU 27 Ca 0.11 -0.06 -0.15 0.00 -1.18 0.00 0.00 59.36 58.08 1sux h GLU 27 Cb 0.44 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 1sux h GLU 27 CO 0.02 0.45 -0.34 1.15 -1.18 0.00 0.00 179.01 179.11 1sux h THR 28 N 0.16 1.28 -0.67 0.32 2.02 -0.86 -2.05 112.91 113.11 1sux h THR 28 Ca 0.02 -1.52 -0.04 0.00 0.77 0.00 0.00 66.41 65.65 1sux h THR 28 Cb 0.59 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.41 1sux h THR 28 CO 0.04 0.50 0.25 -0.07 0.37 0.00 0.00 175.52 176.62 1sux h LEU 29 N 0.66 0.94 -1.10 2.58 4.07 -0.97 -2.19 115.31 119.30 1sux h LEU 29 Ca 0.06 -0.18 -0.06 0.00 0.08 0.00 0.00 57.88 57.78 1sux h LEU 29 Cb 0.93 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 42.41 1sux h LEU 29 CO 0.09 0.86 -0.00 0.78 -1.08 0.00 0.00 178.44 179.09 1sux h ASN 30 N 0.96 0.59 0.93 -0.43 2.35 -0.95 -2.64 115.58 116.39 1sux h ASN 30 Ca 0.22 -0.13 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1sux h ASN 30 Cb 0.23 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1sux h ASN 30 CO -0.02 0.67 -0.10 0.00 -1.65 0.00 0.00 177.43 176.33 1sux n ALA 31 N -2.48 2.56 -2.16 -0.83 0.00 -0.78 -4.72 120.51 112.11 1sux n ALA 31 Ca 0.02 -0.14 -0.41 0.00 0.00 0.00 0.00 53.44 52.90 1sux n ALA 31 Cb 0.27 -1.40 -0.04 0.00 0.00 0.00 0.00 19.45 18.28 1sux n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1sux s ALA 32 N -3.01 3.29 0.06 0.00 0.00 -0.85 -5.06 121.76 116.20 1sux s ALA 32 Ca 0.13 0.66 0.07 0.00 0.00 0.00 0.00 51.96 52.82 1sux s ALA 32 Cb 0.18 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.98 1sux s ALA 32 CO 0.57 -0.07 -0.19 0.95 0.00 0.00 0.00 175.76 177.02 1sux s THR 33 N -0.16 1.55 -0.01 0.00 -4.23 -1.26 -5.02 115.64 106.50 1sux s THR 33 Ca 0.47 -1.26 0.03 0.00 -1.18 0.00 0.00 61.69 59.75 1sux s THR 33 Cb -0.26 -1.38 -0.00 0.00 1.34 0.00 0.00 72.50 72.20 1sux s THR 33 CO 0.32 0.08 -0.10 -0.36 -0.54 0.00 0.00 174.62 174.01 1sux s PHE 34 N -0.93 0.91 -2.32 3.99 0.08 -1.26 -5.04 117.98 113.41 1sux s PHE 34 Ca 0.06 -0.19 0.21 0.00 0.12 0.00 0.00 56.93 57.13 1sux s PHE 34 Cb -0.09 -0.60 0.71 0.00 -0.57 0.00 0.00 43.02 42.47 1sux s PHE 34 CO 0.02 -0.04 1.53 -0.25 -0.10 0.00 0.00 175.22 176.39 1sux n ASP 35 N 2.95 1.88 -4.45 1.36 8.00 -1.26 -4.90 116.55 120.14 1sux n ASP 35 Ca -0.15 -1.74 -0.23 0.00 0.71 0.00 0.00 54.79 53.39 1sux n ASP 35 Cb 0.56 -0.11 -0.10 0.00 -0.02 0.00 0.00 41.12 41.44 1sux n ASP 35 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 1sux s HIS 36 N -1.77 2.14 -0.19 1.24 -3.43 -1.26 -5.09 115.29 106.93 1sux s HIS 36 Ca 0.33 -0.47 -0.29 0.00 -0.80 0.00 0.00 55.06 53.83 1sux s HIS 36 Cb 0.18 -1.04 -0.01 0.00 -1.43 0.00 0.00 32.58 30.28 1sux s HIS 36 CO 0.27 0.55 1.27 0.34 -2.00 0.00 0.00 174.74 175.17 1sux s ASP 37 N -3.48 6.89 -0.20 7.38 2.15 -1.26 -4.99 116.67 123.17 1sux s ASP 37 Ca 0.29 1.59 -0.16 0.00 0.43 0.00 0.00 52.55 54.69 1sux s ASP 37 Cb -0.01 -2.54 0.06 0.00 -0.30 0.00 0.00 42.92 40.12 1sux s ASP 37 CO 0.13 -0.82 0.52 0.54 -0.17 0.00 0.00 175.17 175.37 1sux s VAL 38 N 3.67 -0.00 -0.40 1.11 0.11 -1.26 -4.24 120.40 119.39 1sux s VAL 38 Ca 0.55 0.02 -0.18 0.00 -2.93 0.00 0.00 61.98 59.43 1sux s VAL 38 Cb -0.21 -0.74 0.01 0.00 -1.53 0.00 0.00 36.38 33.92 1sux s VAL 38 CO 0.16 0.01 0.50 -1.58 -3.33 0.00 0.00 175.10 170.86 1sux s GLN 39 N 0.64 3.31 0.06 1.54 2.00 -0.09 -4.89 119.66 122.22 1sux s GLN 39 Ca -0.03 -0.49 -0.10 0.00 -2.00 0.00 0.00 55.36 52.74 1sux s GLN 39 Cb -0.05 -3.91 -0.06 0.00 0.80 0.00 0.00 33.01 29.79 1sux s GLN 39 CO -0.04 -0.82 0.39 0.00 -0.50 0.00 0.00 175.29 174.32 1sux s VAL 41 N -1.33 0.10 -0.06 0.00 1.01 -0.26 -1.15 120.40 118.71 1sux s VAL 41 Ca 0.31 -0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.18 1sux s VAL 41 Cb -0.14 -0.11 0.02 0.00 0.00 0.00 0.00 36.38 36.15 1sux s VAL 41 CO 0.17 -0.01 -0.09 0.68 0.00 0.00 0.00 175.10 175.84 1sux s VAL 42 N -0.14 0.92 -0.45 2.92 -7.23 -0.91 0.48 120.40 115.99 1sux s VAL 42 Ca -0.01 -0.34 0.03 0.00 -1.81 0.00 0.00 61.98 59.85 1sux s VAL 42 Cb -0.01 -0.87 0.12 0.00 0.56 0.00 0.00 36.38 36.18 1sux s VAL 42 CO -0.00 0.31 0.19 0.00 -0.31 0.00 0.00 175.10 175.29 1sux s ALA 43 N 0.80 3.16 0.79 1.32 0.00 0.39 -1.21 121.76 127.02 1sux s ALA 43 Ca -0.13 -2.94 -0.10 0.00 0.00 0.00 0.00 51.96 48.79 1sux s ALA 43 Cb -0.15 -2.14 0.10 0.00 0.00 0.00 0.00 23.12 20.93 1sux s ALA 43 CO 0.02 -1.88 1.13 -2.14 0.00 0.00 0.00 175.76 172.89 1sux s PRO 44 N 0.27 1.78 0.84 0.00 0.02 -1.24 -2.55 135.00 134.12 1sux s PRO 44 Ca 0.14 -0.22 -0.11 0.00 0.02 0.00 0.00 61.00 60.84 1sux s PRO 44 Cb -0.23 -2.04 0.10 0.00 0.02 0.00 0.00 34.50 32.35 1sux s PRO 44 CO -0.04 -1.61 1.10 0.95 -0.33 0.00 0.00 177.00 177.07 1sux s THR 45 N -3.48 2.92 0.23 0.99 -4.23 -1.26 -4.27 115.64 106.55 1sux s THR 45 Ca 0.64 0.30 -0.06 0.00 -1.18 0.00 0.00 61.69 61.39 1sux s THR 45 Cb -0.09 -2.73 0.19 0.00 1.34 0.00 0.00 72.50 71.21 1sux s THR 45 CO 0.48 -0.39 1.76 -0.26 -0.54 0.00 0.00 174.62 175.66 1sux h PHE 46 N -1.40 0.57 -0.18 3.99 0.04 -1.96 -1.09 116.94 116.91 1sux h PHE 46 Ca -0.46 0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.39 1sux h PHE 46 Cb 1.26 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 39.25 1sux h PHE 46 CO 0.51 0.15 0.14 1.25 -0.60 0.00 0.00 178.31 179.76 1sux h LEU 47 N 0.52 0.00 -1.24 1.54 5.85 -2.03 -2.34 115.31 117.61 1sux h LEU 47 Ca 0.37 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.09 1sux h LEU 47 Cb 0.47 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1sux h LEU 47 CO -0.32 0.00 -0.26 1.41 -0.34 0.00 0.00 178.44 178.92 1sux n HIS 48 N -4.30 0.00 -0.17 1.25 8.25 -0.45 -4.39 115.22 115.40 1sux n HIS 48 Ca 0.01 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.39 1sux n HIS 48 Cb 0.27 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.38 1sux n HIS 48 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1sux h ILE 49 N 3.03 1.20 -0.15 1.59 2.04 -0.98 -1.93 117.51 122.31 1sux h ILE 49 Ca 0.00 -0.57 0.04 0.00 1.00 0.00 0.00 64.86 65.33 1sux h ILE 49 Cb 0.79 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 1sux h ILE 49 CO 0.00 0.22 -0.08 -0.65 0.00 0.00 0.00 178.15 177.64 1sux h PRO 50 N 0.66 -0.06 -0.26 2.37 0.11 -1.77 0.19 132.00 133.25 1sux h PRO 50 Ca 0.17 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.20 1sux h PRO 50 Cb 0.13 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 1sux h PRO 50 CO -0.02 -0.04 -0.19 0.00 -0.21 0.00 0.00 178.00 177.54 1sux h MET 51 N -0.06 0.46 -0.13 1.05 -0.00 -1.82 -1.85 114.93 112.56 1sux h MET 51 Ca 0.09 -0.15 -0.03 0.00 -0.00 0.00 0.00 59.70 59.61 1sux h MET 51 Cb 0.19 -0.04 -0.00 0.00 -0.00 0.00 0.00 31.60 31.75 1sux h MET 51 CO -0.20 0.63 -0.03 1.15 -0.00 0.00 0.00 176.91 178.46 1sux h THR 52 N 0.42 1.29 -0.08 -0.10 2.02 -0.78 -1.55 112.91 114.12 1sux h THR 52 Ca 0.07 -0.98 -0.04 0.00 0.77 0.00 0.00 66.41 66.23 1sux h THR 52 Cb 0.57 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 1sux h THR 52 CO 0.04 0.28 -0.13 0.50 0.37 0.00 0.00 175.52 176.58 1sux h LYS 53 N -0.05 0.13 0.00 6.66 3.64 -0.52 0.17 116.57 126.60 1sux h LYS 53 Ca 0.03 -0.03 -0.18 0.00 -1.27 0.00 0.00 60.65 59.21 1sux h LYS 53 Cb 0.46 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 1sux h LYS 53 CO 0.01 0.27 -0.87 0.00 -2.27 0.00 0.00 179.45 176.59 1sux h ALA 54 N 1.75 0.56 0.00 5.00 0.00 -1.19 -3.38 119.26 122.00 1sux h ALA 54 Ca 0.03 -0.79 -0.38 0.00 0.00 0.00 0.00 54.91 53.76 1sux h ALA 54 Cb 0.31 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 1sux h ALA 54 CO 0.02 1.09 -2.42 0.54 0.00 0.00 0.00 179.25 178.47 1sux n ARG 55 N -3.49 0.67 -1.91 0.00 1.74 -0.60 -4.95 116.66 108.11 1sux n ARG 55 Ca -0.00 0.11 -0.42 0.00 -0.77 0.00 0.00 57.85 56.76 1sux n ARG 55 Cb 0.83 -1.53 -0.03 0.00 -1.02 0.00 0.00 32.46 30.71 1sux n ARG 55 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1sux s LEU 56 N -6.21 4.37 0.00 0.55 2.96 0.56 -4.87 118.68 116.03 1sux s LEU 56 Ca -0.26 2.49 0.00 0.00 -0.22 0.00 0.00 54.13 56.13 1sux s LEU 56 Cb 0.08 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.21 1sux s LEU 56 CO 0.68 -0.90 0.00 0.35 -1.32 0.00 0.00 176.35 175.16 1sux n THR 57 N 4.82 0.00 -1.64 3.68 -2.24 -1.26 -4.91 114.28 112.73 1sux n THR 57 Ca 0.16 -0.32 -0.43 0.00 -2.27 0.00 0.00 64.05 61.20 1sux n THR 57 Cb 0.41 0.82 -0.03 0.00 -2.10 0.00 0.00 70.33 69.43 1sux n THR 57 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1sux s ASN 58 N -1.32 5.82 0.65 3.42 3.84 -1.26 -4.85 114.94 121.24 1sux s ASN 58 Ca 0.00 2.17 0.39 0.00 0.21 0.00 0.00 52.86 55.63 1sux s ASN 58 Cb 0.00 -2.52 2.15 0.00 -0.55 0.00 0.00 41.25 40.33 1sux s ASN 58 CO 0.00 -1.63 2.26 1.55 -2.79 0.00 0.00 177.10 176.50 1sux h PRO 59 N 13.41 0.00 -0.06 0.43 0.13 -1.96 -1.22 132.00 142.74 1sux h PRO 59 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1sux h PRO 59 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1sux h PRO 59 CO 0.95 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.35 1sux n LYS 60 N -3.24 1.33 -4.52 0.86 5.02 -1.26 -4.84 118.16 111.51 1sux n LYS 60 Ca -0.02 -0.49 -0.33 0.00 -2.02 0.00 0.00 58.31 55.45 1sux n LYS 60 Cb 0.14 -1.38 -0.11 0.00 -0.02 0.00 0.00 35.03 33.67 1sux n LYS 60 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1sux s PHE 61 N -1.93 2.92 0.12 2.13 0.40 -0.46 -0.58 117.98 120.58 1sux s PHE 61 Ca 0.34 -0.00 0.08 0.00 -0.60 0.00 0.00 56.93 56.74 1sux s PHE 61 Cb 0.17 -1.66 -0.04 0.00 0.51 0.00 0.00 43.02 42.00 1sux s PHE 61 CO 0.27 0.36 -0.18 -0.65 0.70 0.00 0.00 175.22 175.72 1sux s GLN 62 N -1.17 1.12 -0.15 0.44 -1.52 -0.30 -4.94 119.66 113.15 1sux s GLN 62 Ca 0.15 -1.23 -0.06 0.00 -1.95 0.00 0.00 55.36 52.27 1sux s GLN 62 Cb -0.11 -1.25 -0.04 0.00 -0.22 0.00 0.00 33.01 31.39 1sux s GLN 62 CO 0.05 0.27 0.08 0.42 -0.25 0.00 0.00 175.29 175.86 1sux s ILE 63 N -1.58 4.94 0.12 1.08 1.01 -1.26 -2.15 121.20 123.36 1sux s ILE 63 Ca 0.09 0.01 0.09 0.00 0.00 0.00 0.00 60.65 60.83 1sux s ILE 63 Cb -0.08 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.17 1sux s ILE 63 CO 0.05 0.53 -0.22 0.00 0.00 0.00 0.00 174.94 175.30 1sux s ALA 64 N -0.24 1.94 0.32 9.38 0.00 -0.35 -3.61 121.76 129.21 1sux s ALA 64 Ca 0.09 -1.32 -0.08 0.00 0.00 0.00 0.00 51.96 50.65 1sux s ALA 64 Cb -0.12 -0.27 -0.06 0.00 0.00 0.00 0.00 23.12 22.68 1sux s ALA 64 CO 0.01 0.38 0.63 0.00 0.00 0.00 0.00 175.76 176.78 1sux s ALA 65 N -1.24 3.51 -1.18 0.00 0.00 -0.74 -3.68 121.76 118.44 1sux s ALA 65 Ca 0.09 -0.37 0.28 0.00 0.00 0.00 0.00 51.96 51.95 1sux s ALA 65 Cb -0.10 -2.47 1.04 0.00 0.00 0.00 0.00 23.12 21.59 1sux s ALA 65 CO 0.05 0.21 1.77 1.04 0.00 0.00 0.00 175.76 178.83 1sux n GLN 66 N -0.89 0.19 -3.73 0.00 6.02 -1.26 -0.75 117.38 116.96 1sux n GLN 66 Ca 0.00 -0.06 0.03 0.00 -0.01 0.00 0.00 57.00 56.96 1sux n GLN 66 Cb 0.54 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.30 1sux n GLN 66 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1sux s ASN 67 N -2.85 -0.02 -0.25 1.08 2.47 -1.20 -4.52 114.94 109.64 1sux s ASN 67 Ca 0.17 -0.12 -0.36 0.00 0.42 0.00 0.00 52.86 52.98 1sux s ASN 67 Cb 0.19 0.11 0.15 0.00 -1.45 0.00 0.00 41.25 40.26 1sux s ASN 67 CO 0.56 -0.22 1.30 0.00 -3.72 0.00 0.00 177.10 175.03 1sux s ALA 68 N -2.20 -2.14 0.26 1.71 0.00 -1.26 -4.91 121.76 113.22 1sux s ALA 68 Ca 0.19 1.78 0.08 0.00 0.00 0.00 0.00 51.96 54.02 1sux s ALA 68 Cb 0.04 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 1sux s ALA 68 CO -0.04 -0.53 0.12 0.96 0.00 0.00 0.00 175.76 176.27 1sux s ILE 69 N -2.06 4.05 0.31 0.00 -4.36 -0.62 -4.92 121.20 113.60 1sux s ILE 69 Ca 0.10 -1.60 0.23 0.00 -0.26 0.00 0.00 60.65 59.12 1sux s ILE 69 Cb -0.01 -3.18 0.22 0.00 1.25 0.00 0.00 42.46 40.74 1sux s ILE 69 CO -0.04 -0.36 1.92 0.71 0.24 0.00 0.00 174.94 177.42 1sux h THR 70 N 1.66 0.74 -3.92 8.37 1.35 -1.91 -2.16 112.91 117.04 1sux h THR 70 Ca -0.47 -0.95 -0.32 0.00 -0.55 0.00 0.00 66.41 64.13 1sux h THR 70 Cb 1.24 1.59 -0.27 0.00 -1.73 0.00 0.00 68.15 68.98 1sux h THR 70 CO 0.61 0.22 -0.75 -0.60 -0.25 0.00 0.00 175.52 174.75 1sux s ARG 71 N -3.99 0.45 0.48 4.72 3.52 -1.26 -4.63 118.95 118.25 1sux s ARG 71 Ca -0.02 -0.30 -0.19 0.00 -0.13 0.00 0.00 55.73 55.09 1sux s ARG 71 Cb 0.12 -0.40 -0.09 0.00 -1.56 0.00 0.00 34.95 33.03 1sux s ARG 71 CO 0.64 0.10 0.99 -1.12 -0.81 0.00 0.00 175.30 175.10 1sux s SER 72 N -0.41 6.58 0.00 -2.12 0.01 -1.26 -4.72 113.70 111.78 1sux s SER 72 Ca -0.00 1.73 0.00 0.00 1.31 0.00 0.00 55.95 58.99 1sux s SER 72 Cb -0.04 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.66 1sux s SER 72 CO -0.00 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.64 1sux n GLY 73 N -0.84 0.09 2.77 3.44 0.00 -1.26 -4.98 105.19 104.41 1sux n GLY 73 Ca 0.08 -1.24 -0.41 0.00 0.00 0.00 0.00 46.02 44.44 1sux n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sux n ALA 74 N -0.45 5.22 -3.24 4.61 0.00 -1.26 -4.63 120.51 120.76 1sux n ALA 74 Ca 0.00 -3.64 -0.24 0.00 0.00 0.00 0.00 53.44 49.55 1sux n ALA 74 Cb 0.00 -3.52 -0.07 0.00 0.00 0.00 0.00 19.45 15.86 1sux n ALA 74 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1sux n PHE 75 N 6.08 1.12 -1.58 0.00 3.72 -1.26 -5.10 117.46 120.44 1sux n PHE 75 Ca 0.54 -3.79 -0.55 0.00 -0.05 0.00 0.00 57.45 53.60 1sux n PHE 75 Cb 0.37 -0.43 -0.07 0.00 -0.94 0.00 0.00 39.48 38.41 1sux n PHE 75 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1sux n THR 76 N 1.00 0.02 0.00 4.37 -1.04 -1.26 -1.55 114.28 115.82 1sux n THR 76 Ca 0.25 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 1sux n THR 76 Cb 0.50 -0.63 0.00 0.00 -1.82 0.00 0.00 70.33 68.38 1sux n THR 76 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sux n GLY 77 N 2.41 2.65 3.98 3.41 0.00 -1.26 -5.05 105.19 111.33 1sux n GLY 77 Ca 0.20 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 1sux n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sux s GLU 78 N -0.66 3.07 -0.10 1.61 0.41 -0.60 -5.11 118.70 117.31 1sux s GLU 78 Ca 0.00 -0.84 0.01 0.00 -0.41 0.00 0.00 54.97 53.72 1sux s GLU 78 Cb 0.00 -2.72 0.02 0.00 -1.78 0.00 0.00 34.13 29.65 1sux s GLU 78 CO 0.00 -0.08 -0.10 0.08 -0.49 0.00 0.00 175.26 174.66 1sux s VAL 79 N -2.32 1.17 0.62 2.63 1.01 -1.26 -5.00 120.40 117.24 1sux s VAL 79 Ca 0.47 -0.41 -0.07 0.00 0.00 0.00 0.00 61.98 61.97 1sux s VAL 79 Cb -0.10 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 35.17 1sux s VAL 79 CO 0.34 0.38 0.94 -0.94 0.00 0.00 0.00 175.10 175.82 1sux s SER 80 N 1.34 5.44 0.17 3.32 1.04 -1.26 -1.60 113.70 122.16 1sux s SER 80 Ca -0.01 0.71 -0.11 0.00 0.48 0.00 0.00 55.95 57.02 1sux s SER 80 Cb -0.14 -1.63 0.07 0.00 0.10 0.00 0.00 66.02 64.43 1sux s SER 80 CO -0.05 -1.18 1.70 -0.07 0.98 0.00 0.00 173.24 174.61 1sux h LEU 81 N -0.30 0.88 -0.68 2.42 3.38 -1.64 -2.22 115.31 117.15 1sux h LEU 81 Ca -0.45 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.33 1sux h LEU 81 Cb 1.27 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.74 1sux h LEU 81 CO 0.61 0.86 0.43 -0.61 0.09 0.00 0.00 178.44 179.82 1sux h GLN 82 N 0.85 0.82 -0.92 1.13 5.75 -1.86 0.22 115.11 121.10 1sux h GLN 82 Ca 0.19 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.65 1sux h GLN 82 Cb 0.31 -0.18 -0.05 0.00 1.07 0.00 0.00 27.48 28.63 1sux h GLN 82 CO -0.00 0.54 0.61 0.82 -2.65 0.00 0.00 178.83 178.14 1sux h ILE 83 N 0.84 1.23 -0.31 2.39 2.04 -1.88 0.35 117.51 122.17 1sux h ILE 83 Ca 0.27 -0.42 -0.10 0.00 1.00 0.00 0.00 64.86 65.61 1sux h ILE 83 Cb 0.00 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 35.96 1sux h ILE 83 CO -0.10 0.23 -0.18 -0.07 0.00 0.00 0.00 178.15 178.02 1sux h LEU 84 N 1.24 0.69 -0.40 1.44 3.38 -0.72 -2.55 115.31 118.39 1sux h LEU 84 Ca 0.34 -0.43 0.03 0.00 0.09 0.00 0.00 57.88 57.91 1sux h LEU 84 Cb -0.14 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.39 1sux h LEU 84 CO -0.08 0.97 0.21 0.50 0.09 0.00 0.00 178.44 180.14 1sux h LYS 85 N 0.42 0.42 -0.11 1.13 3.64 -0.16 -0.67 116.57 121.25 1sux h LYS 85 Ca 0.06 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1sux h LYS 85 Cb 0.72 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.44 1sux h LYS 85 CO 0.05 0.28 0.07 -0.44 -2.27 0.00 0.00 179.45 177.14 1sux h ASP 86 N 0.43 0.10 0.21 4.20 3.45 -0.88 -0.05 116.42 123.89 1sux h ASP 86 Ca 0.17 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.63 1sux h ASP 86 Cb 0.05 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 38.80 1sux h ASP 86 CO -0.10 0.07 -0.05 0.00 -1.57 0.00 0.00 179.24 177.59 1sux n TYR 87 N -4.52 0.00 -0.58 4.55 4.19 -0.45 -4.91 117.16 115.44 1sux n TYR 87 Ca -0.01 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.20 1sux n TYR 87 Cb 0.10 -0.11 0.00 0.00 0.49 0.00 0.00 39.34 39.82 1sux n TYR 87 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1sux n GLY 88 N 1.19 0.65 3.62 2.98 0.00 -0.03 -5.05 105.19 108.55 1sux n GLY 88 Ca 0.18 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 1sux n GLY 88 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sux s ILE 89 N -2.00 5.22 -0.52 -0.61 -1.09 -0.39 -4.95 121.20 116.86 1sux s ILE 89 Ca 0.00 0.49 0.05 0.00 -2.23 0.00 0.00 60.65 58.96 1sux s ILE 89 Cb 0.00 -3.66 0.09 0.00 -1.58 0.00 0.00 42.46 37.31 1sux s ILE 89 CO 0.00 0.21 0.88 -1.54 -1.23 0.00 0.00 174.94 173.27 1sux n SER 90 N 4.98 1.91 -4.29 3.58 3.41 -1.26 -3.85 113.62 118.09 1sux n SER 90 Ca -0.10 -1.60 -0.26 0.00 -0.26 0.00 0.00 58.87 56.65 1sux n SER 90 Cb 0.51 -0.05 -0.14 0.00 -0.26 0.00 0.00 64.21 64.27 1sux n SER 90 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1sux s TRP 91 N -0.70 1.94 -0.17 7.33 0.52 -1.24 -0.88 118.94 125.74 1sux s TRP 91 Ca 0.08 -0.39 -0.20 0.00 0.02 0.00 0.00 56.10 55.61 1sux s TRP 91 Cb 0.05 -1.12 0.05 0.00 -1.15 0.00 0.00 33.47 31.30 1sux s TRP 91 CO 0.07 0.16 0.55 0.54 0.02 0.00 0.00 176.95 178.28 1sux s VAL 92 N -0.93 0.01 -0.18 4.03 0.11 -0.98 -1.79 120.40 120.67 1sux s VAL 92 Ca 0.09 -0.04 -0.13 0.00 -2.93 0.00 0.00 61.98 58.97 1sux s VAL 92 Cb -0.09 -0.79 -0.05 0.00 -1.53 0.00 0.00 36.38 33.92 1sux s VAL 92 CO 0.03 -0.02 0.24 -0.69 -3.33 0.00 0.00 175.10 171.33 1sux s VAL 93 N -0.02 5.34 0.00 2.04 1.01 0.07 -1.44 120.40 127.41 1sux s VAL 93 Ca -0.02 0.43 0.03 0.00 0.00 0.00 0.00 61.98 62.41 1sux s VAL 93 Cb -0.04 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.76 1sux s VAL 93 CO 0.02 0.40 -0.08 -0.76 0.00 0.00 0.00 175.10 174.68 1sux s LEU 94 N 0.47 2.05 -0.06 3.92 1.43 -0.62 -3.25 118.68 122.63 1sux s LEU 94 Ca 0.14 -0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.03 1sux s LEU 94 Cb -0.12 -0.38 0.00 0.00 0.03 0.00 0.00 46.19 45.72 1sux s LEU 94 CO 0.02 0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.26 1sux n GLY 95 N 2.65 0.42 3.65 -3.19 0.00 -1.26 -1.53 105.19 105.93 1sux n GLY 95 Ca -0.15 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 1sux n GLY 95 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1sux n HIS 96 N -3.02 1.71 -0.34 1.61 -0.00 -1.26 -4.43 115.22 109.49 1sux n HIS 96 Ca -0.01 0.56 0.19 0.00 0.46 0.00 0.00 57.72 58.93 1sux n HIS 96 Cb 0.04 -2.32 0.42 0.00 -0.12 0.00 0.00 29.99 28.01 1sux n HIS 96 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1sux h SER 97 N 1.99 0.60 -0.08 0.26 0.87 -1.93 0.20 113.55 115.46 1sux h SER 97 Ca -0.45 0.11 -0.05 0.00 -1.23 0.00 0.00 61.79 60.17 1sux h SER 97 Cb 1.31 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.27 1sux h SER 97 CO 0.60 0.12 -0.07 -0.33 -0.53 0.00 0.00 176.83 176.62 1sux h GLU 98 N 0.54 0.34 0.06 2.24 5.08 -1.99 0.05 114.58 120.90 1sux h GLU 98 Ca 0.61 -0.07 -0.24 0.00 -1.00 0.00 0.00 59.36 58.66 1sux h GLU 98 Cb 1.28 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 1sux h GLU 98 CO -0.39 0.42 -1.12 0.00 -1.00 0.00 0.00 179.01 176.92 1sux h ARG 99 N 0.32 0.12 -0.23 2.33 3.08 -0.98 0.02 114.38 119.05 1sux h ARG 99 Ca 0.07 -0.21 -0.13 0.00 0.07 0.00 0.00 59.98 59.78 1sux h ARG 99 Cb 0.33 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1sux h ARG 99 CO 0.02 1.09 -0.42 0.00 -1.07 0.00 0.00 179.97 179.59 1sux h ARG 100 N 0.03 0.55 0.11 0.04 3.08 -0.91 -2.03 114.38 115.25 1sux h ARG 100 Ca -0.07 -0.28 -0.25 0.00 0.07 0.00 0.00 59.98 59.44 1sux h ARG 100 Cb 1.86 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.92 1sux h ARG 100 CO 0.16 0.87 -1.27 -0.07 -1.07 0.00 0.00 179.97 178.59 1sux h LEU 101 N 0.45 0.36 0.00 3.04 4.07 -1.00 -3.35 115.31 118.88 1sux h LEU 101 Ca 0.04 -0.86 -0.33 0.00 0.08 0.00 0.00 57.88 56.81 1sux h LEU 101 Cb 0.92 -0.12 -0.06 0.00 1.08 0.00 0.00 40.66 42.48 1sux h LEU 101 CO 0.08 1.56 -2.19 -1.22 -1.08 0.00 0.00 178.44 175.59 1sux n TYR 102 N -4.00 0.25 -1.90 1.13 4.01 -0.01 -4.65 117.16 112.00 1sux n TYR 102 Ca -0.23 0.09 -0.26 0.00 -0.16 0.00 0.00 57.90 57.33 1sux n TYR 102 Cb 0.87 -1.02 0.03 0.00 -0.31 0.00 0.00 39.34 38.91 1sux n TYR 102 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1sux n TYR 103 N -2.80 2.88 -2.60 -0.72 4.01 -0.80 -4.98 117.16 112.15 1sux n TYR 103 Ca -0.27 -2.42 -0.12 0.00 -0.16 0.00 0.00 57.90 54.92 1sux n TYR 103 Cb 1.10 -0.56 -0.00 0.00 -0.31 0.00 0.00 39.34 39.56 1sux n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sux n GLY 104 N -0.74 -0.50 3.48 2.72 0.00 -1.21 -4.88 105.19 104.06 1sux n GLY 104 Ca 0.48 0.01 -0.43 0.00 0.00 0.00 0.00 46.02 46.08 1sux n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sux s GLU 105 N -5.18 3.33 0.99 1.61 2.02 -0.99 -4.98 118.70 115.49 1sux s GLU 105 Ca 0.07 -1.10 -0.13 0.00 0.02 0.00 0.00 54.97 53.82 1sux s GLU 105 Cb -0.03 -4.59 0.18 0.00 0.10 0.00 0.00 34.13 29.79 1sux s GLU 105 CO 0.08 -1.89 1.12 0.95 0.02 0.00 0.00 175.26 175.54 1sux s THR 106 N 3.93 1.97 0.27 3.63 -4.23 -1.26 -4.35 115.64 115.60 1sux s THR 106 Ca 0.30 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 60.77 1sux s THR 106 Cb -0.10 -2.60 0.26 0.00 1.34 0.00 0.00 72.50 71.41 1sux s THR 106 CO 0.02 0.00 1.93 0.78 -0.54 0.00 0.00 174.62 176.81 1sux h ASN 107 N -1.82 1.05 -0.28 3.99 2.35 -1.96 -1.52 115.58 117.39 1sux h ASN 107 Ca -0.52 -0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.15 1sux h ASN 107 Cb 1.33 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.44 1sux h ASN 107 CO 0.57 0.74 -0.05 -0.08 -1.65 0.00 0.00 177.43 176.97 1sux h GLU 108 N 1.23 0.53 -0.57 0.81 4.57 -1.92 -1.33 114.58 117.90 1sux h GLU 108 Ca 0.36 -0.19 0.01 0.00 -1.18 0.00 0.00 59.36 58.35 1sux h GLU 108 Cb -0.07 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.46 1sux h GLU 108 CO -0.10 0.72 0.37 0.82 -1.18 0.00 0.00 179.01 179.65 1sux h ILE 109 N 0.29 1.15 -0.45 2.32 2.04 -1.82 -0.78 117.51 120.25 1sux h ILE 109 Ca 0.07 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1sux h ILE 109 Cb 0.51 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1sux h ILE 109 CO 0.02 0.14 0.30 0.58 0.00 0.00 0.00 178.15 179.19 1sux h VAL 110 N 0.77 1.12 -0.86 1.67 2.07 -1.23 -2.04 116.25 117.75 1sux h VAL 110 Ca 0.21 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1sux h VAL 110 Cb -0.09 0.45 -0.05 0.00 -1.52 0.00 0.00 31.29 30.08 1sux h VAL 110 CO -0.04 0.11 0.56 0.00 0.02 0.00 0.00 177.57 178.21 1sux h ALA 111 N 1.16 1.13 -0.58 1.67 0.00 -0.63 -0.06 119.26 121.95 1sux h ALA 111 Ca 0.17 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1sux h ALA 111 Cb -0.07 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.39 1sux h ALA 111 CO -0.04 0.40 0.23 0.93 0.00 0.00 0.00 179.25 180.78 1sux h GLU 112 N 1.09 0.87 -0.01 0.00 5.08 -0.77 0.05 114.58 120.88 1sux h GLU 112 Ca 0.34 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1sux h GLU 112 Cb -0.00 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 1sux h GLU 112 CO -0.11 0.75 0.01 0.87 -1.00 0.00 0.00 179.01 179.52 1sux h LYS 113 N 0.81 0.02 -0.74 2.33 1.57 -0.71 -1.43 116.57 118.41 1sux h LYS 113 Ca 0.19 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1sux h LYS 113 Cb 0.20 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 1sux h LYS 113 CO -0.02 0.05 0.43 0.28 -0.57 0.00 0.00 179.45 179.62 1sux h VAL 114 N -0.02 1.22 -0.08 0.50 2.07 -0.84 -0.44 116.25 118.66 1sux h VAL 114 Ca 0.01 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.01 1sux h VAL 114 Cb 0.04 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1sux h VAL 114 CO -0.00 0.23 0.05 0.00 0.02 0.00 0.00 177.57 177.87 1sux h ALA 115 N 1.22 0.10 -0.28 1.67 0.00 -0.79 -0.79 119.26 120.40 1sux h ALA 115 Ca 0.26 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1sux h ALA 115 Cb 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1sux h ALA 115 CO -0.05 -0.38 -0.24 0.37 0.00 0.00 0.00 179.25 178.96 1sux h GLN 116 N 0.06 0.54 -0.31 0.00 5.75 -1.10 -1.60 115.11 118.45 1sux h GLN 116 Ca 0.03 -0.20 -0.02 0.00 -0.15 0.00 0.00 58.65 58.30 1sux h GLN 116 Cb 0.05 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 1sux h GLN 116 CO -0.01 0.74 0.12 0.00 -2.65 0.00 0.00 178.83 177.03 1sux h ALA 117 N 1.26 0.40 -0.53 3.38 0.00 -0.79 -0.43 119.26 122.55 1sux h ALA 117 Ca 0.07 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1sux h ALA 117 Cb 0.68 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1sux h ALA 117 CO 0.05 0.00 0.23 0.00 0.00 0.00 0.00 179.25 179.53 1sux h ALA 119 N 1.07 1.78 -0.01 0.00 0.00 -1.06 -0.52 119.26 120.53 1sux h ALA 119 Ca 0.18 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1sux h ALA 119 Cb 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1sux h ALA 119 CO -0.02 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.40 1sux n ALA 120 N -2.51 2.65 -0.58 0.00 0.00 -0.19 -4.90 120.51 114.98 1sux n ALA 120 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1sux n ALA 120 Cb 0.16 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1sux n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sux n GLY 121 N 1.01 0.72 3.81 0.00 0.00 -0.20 -5.06 105.19 105.47 1sux n GLY 121 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 1sux n GLY 121 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sux s PHE 122 N -2.20 3.14 -0.24 1.61 0.40 -0.30 -4.99 117.98 115.40 1sux s PHE 122 Ca 0.00 1.55 -0.16 0.00 -0.60 0.00 0.00 56.93 57.72 1sux s PHE 122 Cb 0.00 -2.96 -0.03 0.00 0.51 0.00 0.00 43.02 40.54 1sux s PHE 122 CO 0.00 -0.67 0.43 -1.01 0.70 0.00 0.00 175.22 174.66 1sux s HIS 123 N -2.25 3.30 -0.16 0.36 3.76 -0.06 -4.42 115.29 115.83 1sux s HIS 123 Ca 0.64 0.56 -0.04 0.00 -0.15 0.00 0.00 55.06 56.07 1sux s HIS 123 Cb -0.14 -2.60 -0.03 0.00 1.11 0.00 0.00 32.58 30.93 1sux s HIS 123 CO 0.25 -0.16 -0.02 0.08 -0.85 0.00 0.00 174.74 174.04 1sux s VAL 124 N 1.83 4.04 -0.58 -0.90 1.01 0.95 -2.33 120.40 124.43 1sux s VAL 124 Ca 0.18 -0.30 -0.16 0.00 0.00 0.00 0.00 61.98 61.70 1sux s VAL 124 Cb -0.15 -2.78 0.14 0.00 0.00 0.00 0.00 36.38 33.59 1sux s VAL 124 CO 0.09 0.49 0.54 -0.63 0.00 0.00 0.00 175.10 175.58 1sux s ILE 125 N 0.38 5.26 -0.23 2.22 1.01 -0.52 0.01 121.20 129.33 1sux s ILE 125 Ca -0.03 -1.63 -0.23 0.00 0.00 0.00 0.00 60.65 58.77 1sux s ILE 125 Cb -0.14 -4.36 -0.01 0.00 0.01 0.00 0.00 42.46 37.96 1sux s ILE 125 CO 0.02 -0.89 0.73 -0.69 0.00 0.00 0.00 174.94 174.11 1sux s VAL 126 N 1.42 4.92 0.08 2.92 1.01 0.13 -1.59 120.40 129.28 1sux s VAL 126 Ca 0.05 1.37 -0.16 0.00 0.00 0.00 0.00 61.98 63.24 1sux s VAL 126 Cb -0.27 -4.03 -0.06 0.00 0.00 0.00 0.00 36.38 32.01 1sux s VAL 126 CO 0.01 -0.00 0.50 0.00 0.00 0.00 0.00 175.10 175.61 1sux s VAL 128 N -1.24 0.17 0.00 0.00 -7.23 -0.42 -4.72 120.40 106.96 1sux s VAL 128 Ca 0.31 -1.42 0.00 0.00 -1.81 0.00 0.00 61.98 59.06 1sux s VAL 128 Cb -0.17 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.39 1sux s VAL 128 CO 0.17 -0.78 0.00 0.61 -0.31 0.00 0.00 175.10 174.79 1sux n GLY 129 N 0.05 3.53 3.96 2.32 0.00 -1.26 -1.20 105.19 112.59 1sux n GLY 129 Ca -0.15 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 1sux n GLY 129 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1sux s GLU 130 N -1.87 3.45 0.76 1.61 1.03 -1.26 -4.76 118.70 117.66 1sux s GLU 130 Ca 0.00 -0.63 -0.07 0.00 0.03 0.00 0.00 54.97 54.31 1sux s GLU 130 Cb 0.00 -2.83 0.11 0.00 -0.80 0.00 0.00 34.13 30.62 1sux s GLU 130 CO 0.00 0.35 1.07 0.95 -1.33 0.00 0.00 175.26 176.30 1sux s THR 131 N -2.07 2.19 0.13 1.83 -4.23 -1.26 -1.07 115.64 111.16 1sux s THR 131 Ca 0.36 -0.32 -0.17 0.00 -1.18 0.00 0.00 61.69 60.39 1sux s THR 131 Cb -0.09 -2.87 -0.01 0.00 1.34 0.00 0.00 72.50 70.87 1sux s THR 131 CO 0.31 0.00 1.72 -1.13 -0.54 0.00 0.00 174.62 174.98 1sux h ASN 132 N -0.80 0.49 -0.62 3.99 -1.24 -1.97 -1.77 115.58 113.66 1sux h ASN 132 Ca -0.42 -0.11 0.01 0.00 0.71 0.00 0.00 56.30 56.48 1sux h ASN 132 Cb 1.28 -0.12 -0.03 0.00 0.73 0.00 0.00 38.32 40.18 1sux h ASN 132 CO 0.49 0.46 0.41 -0.33 -1.29 0.00 0.00 177.43 177.17 1sux h GLU 133 N 0.47 0.82 -0.64 6.67 5.08 -1.99 -0.29 114.58 124.71 1sux h GLU 133 Ca 0.13 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1sux h GLU 133 Cb 0.10 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.13 1sux h GLU 133 CO -0.02 0.55 0.36 0.93 -1.00 0.00 0.00 179.01 179.83 1sux h GLU 134 N 0.84 0.88 -0.57 2.33 5.08 -1.88 -0.85 114.58 120.41 1sux h GLU 134 Ca 0.23 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.39 1sux h GLU 134 Cb -0.09 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 28.96 1sux h GLU 134 CO -0.05 0.66 -0.02 -0.09 -1.00 0.00 0.00 179.01 178.51 1sux h ARG 135 N 0.87 1.02 -0.67 2.33 2.43 -0.89 0.15 114.38 119.61 1sux h ARG 135 Ca 0.23 -0.33 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1sux h ARG 135 Cb 0.03 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 1sux h ARG 135 CO -0.04 1.02 0.38 0.93 -1.51 0.00 0.00 179.97 180.75 1sux h GLU 136 N 0.91 0.92 -0.06 0.20 5.08 -0.69 -1.08 114.58 119.86 1sux h GLU 136 Ca 0.16 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1sux h GLU 136 Cb 0.57 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1sux h GLU 136 CO 0.03 0.66 0.00 0.00 -1.00 0.00 0.00 179.01 178.71 1sux n ALA 137 N -2.44 2.58 -2.07 3.43 0.00 -0.36 -4.90 120.51 116.76 1sux n ALA 137 Ca 0.07 -0.26 -0.10 0.00 0.00 0.00 0.00 53.44 53.15 1sux n ALA 137 Cb 0.09 -1.22 -0.01 0.00 0.00 0.00 0.00 19.45 18.30 1sux n ALA 137 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sux n GLY 138 N 0.91 0.12 1.09 0.00 0.00 -0.41 -4.93 105.19 101.96 1sux n GLY 138 Ca 0.15 -0.47 0.10 0.00 0.00 0.00 0.00 46.02 45.80 1sux n GLY 138 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sux n ARG 139 N -2.09 2.50 -0.17 1.61 5.12 0.47 -4.70 116.66 119.41 1sux n ARG 139 Ca -0.12 -2.30 -0.11 0.00 -1.93 0.00 0.00 57.85 53.39 1sux n ARG 139 Cb 0.56 -1.47 -0.07 0.00 -1.16 0.00 0.00 32.46 30.32 1sux n ARG 139 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 1sux h THR 140 N 3.87 0.05 -0.13 0.55 2.02 -1.86 0.27 112.91 117.68 1sux h THR 140 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1sux h THR 140 Cb 0.91 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 1sux h THR 140 CO 0.00 0.00 0.03 0.00 0.37 0.00 0.00 175.52 175.92 1sux h ALA 141 N 0.27 0.13 -0.58 6.16 0.00 -1.95 -1.51 119.26 121.79 1sux h ALA 141 Ca 0.12 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1sux h ALA 141 Cb 0.58 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 1sux h ALA 141 CO -0.64 -0.42 0.28 0.00 0.00 0.00 0.00 179.25 178.47 1sux h ALA 142 N 1.10 0.75 0.56 0.00 0.00 -1.79 -1.47 119.26 118.42 1sux h ALA 142 Ca 0.06 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1sux h ALA 142 Cb 0.05 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.80 1sux h ALA 142 CO -0.08 -0.08 -0.27 0.28 0.00 0.00 0.00 179.25 179.10 1sux h VAL 143 N 0.52 0.37 -0.30 0.00 2.07 -0.60 -2.01 116.25 116.30 1sux h VAL 143 Ca 0.27 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 1sux h VAL 143 Cb 0.21 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1sux h VAL 143 CO -0.20 0.04 -0.01 -0.37 0.02 0.00 0.00 177.57 177.04 1sux h VAL 144 N -0.95 1.19 -0.18 2.57 -1.51 -1.25 -1.56 116.25 114.57 1sux h VAL 144 Ca -0.08 -0.75 -0.14 0.00 -1.23 0.00 0.00 66.70 64.51 1sux h VAL 144 Cb 0.64 0.98 -0.01 0.00 -2.13 0.00 0.00 31.29 30.77 1sux h VAL 144 CO 0.13 0.25 -0.48 -0.07 -1.23 0.00 0.00 177.57 176.17 1sux h LEU 145 N 0.45 0.50 -0.57 4.19 3.38 -1.31 -0.57 115.31 121.38 1sux h LEU 145 Ca 0.10 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.69 1sux h LEU 145 Cb 0.32 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1sux h LEU 145 CO 0.01 0.90 -0.25 0.74 0.09 0.00 0.00 178.44 179.94 1sux h THR 146 N 0.37 1.27 -0.28 0.22 2.02 -0.89 0.24 112.91 115.86 1sux h THR 146 Ca 0.02 -1.39 -0.06 0.00 0.77 0.00 0.00 66.41 65.75 1sux h THR 146 Cb 0.98 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 1sux h THR 146 CO 0.09 0.47 -0.05 1.56 0.37 0.00 0.00 175.52 177.95 1sux h GLN 147 N 0.76 0.53 -0.40 6.66 4.20 -1.09 -2.36 115.11 123.41 1sux h GLN 147 Ca 0.10 -0.20 -0.10 0.00 0.06 0.00 0.00 58.65 58.51 1sux h GLN 147 Cb 0.80 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.53 1sux h GLN 147 CO 0.07 0.73 -0.14 1.25 -0.67 0.00 0.00 178.83 180.06 1sux h LEU 148 N 0.29 0.81 -1.05 1.46 5.85 -1.01 -3.13 115.31 118.54 1sux h LEU 148 Ca 0.07 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.39 1sux h LEU 148 Cb 0.52 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 1sux h LEU 148 CO 0.02 1.01 0.39 0.00 -0.34 0.00 0.00 178.44 179.53 1sux h ALA 149 N 0.83 1.27 -0.78 1.25 0.00 -0.51 -0.38 119.26 120.94 1sux h ALA 149 Ca 0.10 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1sux h ALA 149 Cb 0.68 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1sux h ALA 149 CO 0.05 0.58 0.45 0.00 0.00 0.00 0.00 179.25 180.33 1sux h ALA 150 N 1.37 1.32 0.02 0.00 0.00 -1.37 -1.87 119.26 118.73 1sux h ALA 150 Ca 0.27 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1sux h ALA 150 Cb 0.06 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1sux h ALA 150 CO -0.04 0.57 -0.01 0.28 0.00 0.00 0.00 179.25 180.05 1sux h VAL 151 N 1.09 1.46 -1.00 0.00 2.07 -1.38 -3.31 116.25 115.18 1sux h VAL 151 Ca 0.28 -1.51 0.13 0.00 0.82 0.00 0.00 66.70 66.42 1sux h VAL 151 Cb -0.01 2.47 -0.09 0.00 -1.52 0.00 0.00 31.29 32.13 1sux h VAL 151 CO -0.05 0.38 0.62 0.00 0.02 0.00 0.00 177.57 178.55 1sux h ALA 152 N 0.27 1.53 -0.12 1.67 0.00 -0.96 -1.51 119.26 120.15 1sux h ALA 152 Ca -0.00 0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1sux h ALA 152 Cb 0.65 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1sux h ALA 152 CO 0.00 0.17 0.15 1.96 0.00 0.00 0.00 179.25 181.54 1sux h GLN 153 N 0.94 0.00 -0.01 0.00 4.20 -1.42 -1.29 115.11 117.53 1sux h GLN 153 Ca 0.51 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.22 1sux h GLN 153 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 1sux h GLN 153 CO -0.29 0.00 -0.45 1.63 -0.67 0.00 0.00 178.83 179.05 1sux n LYS 154 N -3.66 1.13 -3.96 1.46 5.02 -0.58 -4.96 118.16 112.60 1sux n LYS 154 Ca -0.00 -0.90 -0.31 0.00 -2.02 0.00 0.00 58.31 55.08 1sux n LYS 154 Cb 0.26 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.74 1sux n LYS 154 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sux s LEU 155 N -2.49 4.18 0.58 -0.35 1.43 -0.49 -4.86 118.68 116.69 1sux s LEU 155 Ca 0.19 0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 53.45 1sux s LEU 155 Cb 0.18 -2.81 0.03 0.00 0.03 0.00 0.00 46.19 43.63 1sux s LEU 155 CO 0.57 0.17 0.84 -0.94 0.23 0.00 0.00 176.35 177.22 1sux s SER 156 N -2.47 5.28 0.20 2.29 1.04 -1.26 -4.98 113.70 113.80 1sux s SER 156 Ca 0.33 0.26 -0.11 0.00 0.48 0.00 0.00 55.95 56.91 1sux s SER 156 Cb -0.13 -1.15 0.15 0.00 0.10 0.00 0.00 66.02 64.99 1sux s SER 156 CO 0.26 -1.19 1.87 0.07 0.98 0.00 0.00 173.24 175.24 1sux h LYS 157 N -0.09 0.93 -0.63 4.02 -0.00 -1.99 -2.75 116.57 116.06 1sux h LYS 157 Ca -0.44 -0.06 -0.02 0.00 -0.00 0.00 0.00 60.65 60.14 1sux h LYS 157 Cb 1.29 -0.21 -0.03 0.00 -0.00 0.00 0.00 32.23 33.28 1sux h LYS 157 CO 0.56 0.61 0.31 0.93 -0.00 0.00 0.00 179.45 181.87 1sux h GLU 158 N 0.96 0.88 -0.26 0.07 3.07 -2.03 -3.00 114.58 114.27 1sux h GLU 158 Ca 0.27 -0.11 0.08 0.00 -0.50 0.00 0.00 59.36 59.09 1sux h GLU 158 Cb -0.09 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 27.64 1sux h GLU 158 CO -0.07 0.68 0.23 0.00 -1.40 0.00 0.00 179.01 178.46 1sux h ALA 159 N 1.46 2.05 0.00 3.43 0.00 -1.87 -2.74 119.26 121.58 1sux h ALA 159 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1sux h ALA 159 Cb 0.08 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1sux h ALA 159 CO -0.03 -0.37 0.00 -1.49 0.00 0.00 0.00 179.25 177.36 1sux h TRP 160 N 0.00 0.00 0.00 0.00 4.06 -1.63 -1.65 115.95 116.73 1sux h TRP 160 Ca 0.13 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.08 1sux h TRP 160 Cb 0.59 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.75 1sux h TRP 160 CO 0.00 0.00 0.00 0.66 -3.56 0.00 0.00 178.44 175.54 1sux h SER 161 N 0.00 0.00 -0.33 -3.49 4.64 -1.72 -2.35 113.55 110.30 1sux h SER 161 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sux h SER 161 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1sux h SER 161 CO 0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 1sux n ARG 162 N -2.80 2.88 -3.96 4.77 1.74 -0.62 -4.99 116.66 113.68 1sux n ARG 162 Ca 0.01 -2.10 -0.36 0.00 -0.77 0.00 0.00 57.85 54.62 1sux n ARG 162 Cb 0.26 -1.31 -0.07 0.00 -1.02 0.00 0.00 32.46 30.32 1sux n ARG 162 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1sux s VAL 163 N -1.17 5.26 -0.03 1.55 1.01 -0.89 -0.03 120.40 126.11 1sux s VAL 163 Ca 0.24 0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.36 1sux s VAL 163 Cb 0.14 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 33.23 1sux s VAL 163 CO 0.14 0.60 -0.06 -0.69 0.00 0.00 0.00 175.10 175.09 1sux s VAL 164 N -0.83 0.61 -0.13 2.92 1.01 0.10 -4.46 120.40 119.63 1sux s VAL 164 Ca 0.14 -0.24 -0.05 0.00 0.00 0.00 0.00 61.98 61.83 1sux s VAL 164 Cb -0.12 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 1sux s VAL 164 CO 0.03 0.21 0.05 -0.63 0.00 0.00 0.00 175.10 174.76 1sux s ILE 165 N 0.42 4.68 -0.21 2.22 -1.09 -0.48 0.19 121.20 126.94 1sux s ILE 165 Ca -0.06 -0.09 0.02 0.00 -2.23 0.00 0.00 60.65 58.28 1sux s ILE 165 Cb -0.10 -3.03 0.04 0.00 -1.58 0.00 0.00 42.46 37.79 1sux s ILE 165 CO 0.00 0.56 -0.15 0.00 -1.23 0.00 0.00 174.94 174.12 1sux s ALA 166 N -0.46 2.30 -0.33 9.38 0.00 0.28 0.53 121.76 133.46 1sux s ALA 166 Ca 0.09 -1.36 -0.16 0.00 0.00 0.00 0.00 51.96 50.53 1sux s ALA 166 Cb -0.12 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.67 1sux s ALA 166 CO 0.02 -0.72 0.40 -0.47 0.00 0.00 0.00 175.76 174.99 1sux s TYR 167 N 1.27 3.21 -0.32 0.00 5.04 0.95 -1.30 117.35 126.19 1sux s TYR 167 Ca -0.01 0.12 0.00 0.00 -2.44 0.00 0.00 57.07 54.74 1sux s TYR 167 Cb -0.16 -2.71 0.10 0.00 0.35 0.00 0.00 41.96 39.54 1sux s TYR 167 CO -0.09 -0.41 0.09 -1.21 -1.34 0.00 0.00 175.55 172.59 1sux s GLU 168 N 2.12 0.90 0.18 4.97 2.02 -0.34 -0.74 118.70 127.81 1sux s GLU 168 Ca 0.14 -1.29 -0.32 0.00 0.02 0.00 0.00 54.97 53.52 1sux s GLU 168 Cb -0.16 -2.26 -0.12 0.00 0.10 0.00 0.00 34.13 31.69 1sux s GLU 168 CO 0.12 -0.99 1.76 -2.30 0.02 0.00 0.00 175.26 173.87 1sux n PRO 169 N 4.66 2.75 -0.21 0.39 -0.02 -1.25 -4.37 135.00 136.95 1sux n PRO 169 Ca -0.00 0.99 0.06 0.00 -2.02 0.00 0.00 63.50 62.54 1sux n PRO 169 Cb 0.42 -2.85 0.34 0.00 -0.02 0.00 0.00 33.50 31.38 1sux n PRO 169 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1sux h VAL 170 N 4.08 1.01 0.00 -1.45 2.07 -1.40 0.52 116.25 121.08 1sux h VAL 170 Ca -0.44 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1sux h VAL 170 Cb 1.21 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1sux h VAL 170 CO 0.95 0.14 0.00 -2.67 0.02 0.00 0.00 177.57 176.02 1sux n TRP 171 N -4.49 0.00 0.72 1.57 4.27 -1.26 -2.13 117.44 116.12 1sux n TRP 171 Ca 0.12 0.00 0.08 0.00 -3.89 0.00 0.00 57.50 53.81 1sux n TRP 171 Cb 0.24 -0.36 0.03 0.00 -1.36 0.00 0.00 31.31 29.86 1sux n TRP 171 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1sux n ALA 172 N -1.36 2.85 -2.58 -1.67 0.00 0.17 -4.67 120.51 113.25 1sux n ALA 172 Ca 0.05 -0.59 -0.43 0.00 0.00 0.00 0.00 53.44 52.48 1sux n ALA 172 Cb 0.12 -0.58 -0.04 0.00 0.00 0.00 0.00 19.45 18.95 1sux n ALA 172 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1sux s ILE 173 N -1.69 4.55 -0.25 0.00 1.01 -0.91 -1.71 121.20 122.21 1sux s ILE 173 Ca 0.17 0.88 0.00 0.00 0.00 0.00 0.00 60.65 61.69 1sux s ILE 173 Cb 0.14 -4.37 0.00 0.00 0.01 0.00 0.00 42.46 38.24 1sux s ILE 173 CO 0.32 -0.68 0.00 0.61 0.00 0.00 0.00 174.94 175.18 1sux n GLY 174 N 4.72 0.35 0.00 6.18 0.00 -1.26 -4.85 105.19 110.33 1sux n GLY 174 Ca 0.06 -0.04 0.10 0.00 0.00 0.00 0.00 46.02 46.14 1sux n GLY 174 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sux n THR 175 N -2.30 0.01 -0.98 2.61 -2.24 -1.26 -4.94 114.28 105.18 1sux n THR 175 Ca -0.02 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1sux n THR 175 Cb 0.39 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 1sux n THR 175 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1sux n GLY 176 N 1.48 0.46 3.08 3.38 0.00 -1.26 -4.94 105.19 107.39 1sux n GLY 176 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1sux n GLY 176 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sux s LYS 177 N -0.36 3.20 0.45 1.61 0.00 -1.26 -5.06 119.74 118.32 1sux s LYS 177 Ca 0.00 -3.31 -0.23 0.00 0.00 0.00 0.00 55.97 52.43 1sux s LYS 177 Cb 0.00 -3.90 -0.08 0.00 0.00 0.00 0.00 37.83 33.85 1sux s LYS 177 CO 0.00 -1.27 1.13 0.54 0.00 0.00 0.00 175.35 175.75 1sux s VAL 178 N -1.40 3.31 0.41 1.79 0.11 -1.26 -4.19 120.40 119.16 1sux s VAL 178 Ca 0.27 0.96 -0.26 0.00 -2.93 0.00 0.00 61.98 60.03 1sux s VAL 178 Cb -0.07 -3.48 -0.08 0.00 -1.53 0.00 0.00 36.38 31.22 1sux s VAL 178 CO -0.13 -0.03 1.26 0.00 -3.33 0.00 0.00 175.10 172.86 1sux s ALA 179 N -1.62 3.21 0.75 1.54 0.00 -1.26 -4.98 121.76 119.39 1sux s ALA 179 Ca 0.63 1.15 -0.12 0.00 0.00 0.00 0.00 51.96 53.62 1sux s ALA 179 Cb -0.26 -3.45 0.04 0.00 0.00 0.00 0.00 23.12 19.45 1sux s ALA 179 CO 0.31 -0.74 1.10 0.95 0.00 0.00 0.00 175.76 177.38 1sux s THR 180 N -1.31 3.20 0.30 0.00 -4.23 -1.26 -4.77 115.64 107.57 1sux s THR 180 Ca 0.57 0.44 0.04 0.00 -1.18 0.00 0.00 61.69 61.57 1sux s THR 180 Cb -0.36 -2.92 0.30 0.00 1.34 0.00 0.00 72.50 70.86 1sux s THR 180 CO 0.45 -0.46 1.81 -0.65 -0.54 0.00 0.00 174.62 175.23 1sux h PRO 181 N -0.80 0.84 -0.26 3.99 0.11 -1.94 -1.25 132.00 132.69 1sux h PRO 181 Ca -0.45 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1sux h PRO 181 Cb 1.24 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1sux h PRO 181 CO 0.52 0.55 0.04 1.96 -0.21 0.00 0.00 178.00 180.86 1sux h GLN 182 N 0.86 0.44 -0.74 1.05 7.50 -1.97 -0.51 115.11 121.73 1sux h GLN 182 Ca 0.54 -0.12 0.01 0.00 0.50 0.00 0.00 58.65 59.58 1sux h GLN 182 Cb 0.72 -0.05 -0.04 0.00 0.05 0.00 0.00 27.48 28.16 1sux h GLN 182 CO -0.32 0.57 0.49 1.96 -1.50 0.00 0.00 178.83 180.02 1sux h GLN 183 N 0.25 0.96 0.09 1.46 4.20 -1.65 -0.72 115.11 119.71 1sux h GLN 183 Ca 0.08 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1sux h GLN 183 Cb 0.34 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1sux h GLN 183 CO 0.01 0.64 -0.04 0.00 -0.67 0.00 0.00 178.83 178.76 1sux h ALA 184 N 1.28 -0.12 -0.83 3.87 0.00 -1.19 -3.06 119.26 119.21 1sux h ALA 184 Ca 0.28 -0.21 0.13 0.00 0.00 0.00 0.00 54.91 55.11 1sux h ALA 184 Cb -0.09 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.66 1sux h ALA 184 CO -0.07 -0.35 0.44 0.37 0.00 0.00 0.00 179.25 179.65 1sux h GLN 185 N -0.56 0.65 -0.85 0.00 5.75 -0.96 -0.34 115.11 118.79 1sux h GLN 185 Ca -0.01 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.48 1sux h GLN 185 Cb 0.46 -0.15 -0.05 0.00 1.07 0.00 0.00 27.48 28.82 1sux h GLN 185 CO 0.02 0.43 0.55 1.49 -2.65 0.00 0.00 178.83 178.66 1sux h GLU 186 N 0.66 1.03 0.04 1.69 4.81 -1.13 0.12 114.58 121.81 1sux h GLU 186 Ca 0.44 -0.06 -0.24 0.00 -0.13 0.00 0.00 59.36 59.37 1sux h GLU 186 Cb 0.56 -0.23 0.02 0.00 0.63 0.00 0.00 28.75 29.73 1sux h GLU 186 CO -0.33 0.68 -0.96 0.28 -0.73 0.00 0.00 179.01 177.96 1sux h VAL 187 N 1.07 1.34 -0.80 0.32 2.07 -1.25 -2.66 116.25 116.34 1sux h VAL 187 Ca 0.34 -2.28 0.04 0.00 0.82 0.00 0.00 66.70 65.63 1sux h VAL 187 Cb 0.01 2.59 -0.05 0.00 -1.52 0.00 0.00 31.29 32.32 1sux h VAL 187 CO -0.12 0.69 0.50 0.45 0.02 0.00 0.00 177.57 179.11 1sux h HIS 188 N 0.16 0.93 0.05 1.57 3.86 -0.84 0.02 115.15 120.90 1sux h HIS 188 Ca -0.13 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.11 1sux h HIS 188 Cb 1.65 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 29.80 1sux h HIS 188 CO 0.13 0.50 -0.09 0.93 0.86 0.00 0.00 177.93 180.26 1sux h GLU 189 N 0.95 -0.17 -0.47 2.45 5.08 -1.01 0.09 114.58 121.49 1sux h GLU 189 Ca 0.33 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.79 1sux h GLU 189 Cb 0.08 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.30 1sux h GLU 189 CO -0.14 -0.11 0.07 1.25 -1.00 0.00 0.00 179.01 179.08 1sux h LEU 190 N -0.18 -0.04 0.10 1.33 5.85 -0.99 0.21 115.31 121.60 1sux h LEU 190 Ca 0.02 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1sux h LEU 190 Cb 0.19 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1sux h LEU 190 CO -0.05 0.01 -0.05 -0.07 -0.34 0.00 0.00 178.44 177.94 1sux h LEU 191 N 0.20 -0.12 -0.83 2.25 3.38 -0.68 -1.68 115.31 117.82 1sux h LEU 191 Ca 0.24 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1sux h LEU 191 Cb 0.32 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1sux h LEU 191 CO -0.32 0.02 0.33 -0.09 0.09 0.00 0.00 178.44 178.47 1sux h ARG 192 N -0.25 1.19 -0.42 1.13 2.43 -0.64 -1.45 114.38 116.37 1sux h ARG 192 Ca -0.01 -0.21 -0.06 0.00 -0.81 0.00 0.00 59.98 58.88 1sux h ARG 192 Cb 0.20 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.54 1sux h ARG 192 CO 0.02 0.95 -0.01 0.00 -1.51 0.00 0.00 179.97 179.43 1sux h ARG 193 N 1.16 0.68 -0.10 0.20 3.08 -0.52 0.32 114.38 119.20 1sux h ARG 193 Ca 0.27 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 1sux h ARG 193 Cb 0.20 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 1sux h ARG 193 CO -0.02 0.70 -0.04 2.35 -1.07 0.00 0.00 179.97 181.88 1sux h TRP 194 N 0.64 0.24 -0.82 3.04 7.01 -0.86 -1.68 115.95 123.52 1sux h TRP 194 Ca 0.13 -0.06 0.07 0.00 2.11 0.00 0.00 58.89 61.14 1sux h TRP 194 Cb 0.41 -0.06 -0.06 0.00 -2.10 0.00 0.00 29.16 27.35 1sux h TRP 194 CO 0.02 0.55 0.49 0.28 -2.79 0.00 0.00 178.44 177.00 1sux h VAL 195 N -0.13 1.01 -0.86 2.65 2.07 -1.01 -1.53 116.25 118.45 1sux h VAL 195 Ca 0.02 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1sux h VAL 195 Cb 0.48 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 1sux h VAL 195 CO 0.01 0.16 0.44 -0.09 0.02 0.00 0.00 177.57 178.12 1sux h ARG 196 N 0.89 1.21 0.00 1.57 2.43 -0.77 0.57 114.38 120.29 1sux h ARG 196 Ca 0.36 -0.16 -0.05 0.00 -0.81 0.00 0.00 59.98 59.33 1sux h ARG 196 Cb 0.20 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1sux h ARG 196 CO -0.18 0.91 -0.23 0.66 -1.51 0.00 0.00 179.97 179.62 1sux h SER 197 N 1.21 0.00 0.13 -3.80 4.64 -0.33 0.75 113.55 116.15 1sux h SER 197 Ca 0.30 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.27 1sux h SER 197 Cb 0.07 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.10 1sux h SER 197 CO -0.04 0.23 -2.20 0.29 -0.87 0.00 0.00 176.83 174.23 1sux n LYS 198 N -4.26 0.67 0.00 4.77 4.76 -0.87 -4.71 118.16 118.52 1sux n LYS 198 Ca -0.02 0.10 0.01 0.00 -2.87 0.00 0.00 58.31 55.52 1sux n LYS 198 Cb 0.28 -1.60 -0.00 0.00 -1.84 0.00 0.00 35.03 31.87 1sux n LYS 198 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1sux n LEU 199 N -2.91 0.28 0.00 -0.35 4.77 0.20 -5.10 117.00 113.88 1sux n LEU 199 Ca -0.30 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.08 1sux n LEU 199 Cb 1.11 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.20 1sux n LEU 199 CO 0.42 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1sux n GLY 200 N 0.83 1.57 0.39 -0.72 0.00 0.25 -4.58 105.19 102.92 1sux n GLY 200 Ca 0.00 -1.99 -0.13 0.00 0.00 0.00 0.00 46.02 43.91 1sux n GLY 200 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1sux h THR 201 N 0.00 0.20 0.19 2.61 2.02 -1.94 -2.62 112.91 113.36 1sux h THR 201 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1sux h THR 201 Cb 0.00 0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 1sux h THR 201 CO 0.00 0.00 -0.18 0.44 0.37 0.00 0.00 175.52 176.15 1sux h ASP 202 N -0.55 -0.48 -0.84 4.18 3.32 -1.98 -0.69 116.42 119.38 1sux h ASP 202 Ca 0.05 0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.15 1sux h ASP 202 Cb 0.63 0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.31 1sux h ASP 202 CO -0.29 -0.28 0.54 0.40 -1.72 0.00 0.00 179.24 177.89 1sux h ILE 203 N -0.40 1.22 -0.53 0.35 2.04 -1.81 -0.71 117.51 117.67 1sux h ILE 203 Ca -0.00 -0.42 -0.09 0.00 1.00 0.00 0.00 64.86 65.35 1sux h ILE 203 Cb 0.38 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 1sux h ILE 203 CO -0.04 0.22 -0.01 0.00 0.00 0.00 0.00 178.15 178.32 1sux h ALA 204 N 1.30 0.98 -0.17 1.87 0.00 -1.33 -1.77 119.26 120.14 1sux h ALA 204 Ca 0.31 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 1sux h ALA 204 Cb -0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1sux h ALA 204 CO -0.06 0.62 -0.56 0.00 0.00 0.00 0.00 179.25 179.25 1sux h ALA 205 N 1.14 0.72 -0.00 0.00 0.00 -0.66 -3.19 119.26 117.27 1sux h ALA 205 Ca 0.16 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1sux h ALA 205 Cb 0.51 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1sux h ALA 205 CO 0.03 0.69 -0.32 1.04 0.00 0.00 0.00 179.25 180.69 1sux n GLN 206 N -3.95 0.00 -2.21 0.00 6.02 -0.31 -4.43 117.38 112.51 1sux n GLN 206 Ca -0.03 -0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.54 1sux n GLN 206 Cb 0.61 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.34 1sux n GLN 206 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1sux s LEU 207 N -3.00 4.35 -0.14 1.08 2.96 -0.68 -4.84 118.68 118.41 1sux s LEU 207 Ca 0.12 2.23 -0.20 0.00 -0.22 0.00 0.00 54.13 56.06 1sux s LEU 207 Cb 0.18 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.26 1sux s LEU 207 CO 0.64 -0.66 0.59 -0.13 -1.32 0.00 0.00 176.35 175.46 1sux s ARG 208 N 1.54 4.30 -0.23 1.98 3.00 -1.26 -4.91 118.95 123.38 1sux s ARG 208 Ca 0.64 0.60 0.02 0.00 0.00 0.00 0.00 55.73 56.99 1sux s ARG 208 Cb -0.34 -3.50 0.05 0.00 0.00 0.00 0.00 34.95 31.15 1sux s ARG 208 CO 0.29 -0.04 -0.12 0.42 0.00 0.00 0.00 175.30 175.85 1sux s ILE 209 N 1.23 1.96 0.09 1.52 1.01 -1.26 -1.38 121.20 124.37 1sux s ILE 209 Ca 0.29 -1.30 0.01 0.00 0.00 0.00 0.00 60.65 59.66 1sux s ILE 209 Cb -0.16 -2.01 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 1sux s ILE 209 CO 0.12 0.14 0.23 -0.76 0.00 0.00 0.00 174.94 174.67 1sux s LEU 210 N 1.24 4.34 -0.06 2.97 1.43 0.19 -0.84 118.68 127.95 1sux s LEU 210 Ca -0.04 0.23 -0.03 0.00 -1.03 0.00 0.00 54.13 53.26 1sux s LEU 210 Cb -0.17 -2.93 -0.04 0.00 0.03 0.00 0.00 46.19 43.07 1sux s LEU 210 CO -0.08 0.13 0.09 -0.47 0.23 0.00 0.00 176.35 176.26 1sux s TYR 211 N -1.58 3.38 -0.01 0.29 5.04 -0.61 -0.04 117.35 123.83 1sux s TYR 211 Ca 0.35 0.32 -0.03 0.00 -2.44 0.00 0.00 57.07 55.26 1sux s TYR 211 Cb -0.12 -1.82 -0.00 0.00 0.35 0.00 0.00 41.96 40.36 1sux s TYR 211 CO 0.28 0.60 0.06 0.20 -1.34 0.00 0.00 175.55 175.35 1sux s GLY 212 N -1.36 0.06 0.00 8.97 0.00 0.08 -1.39 107.32 113.68 1sux s GLY 212 Ca 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.79 1sux s GLY 212 CO 0.09 -0.18 0.00 0.61 0.00 0.00 0.00 173.10 173.62 1sux n GLY 213 N 2.24 2.07 2.56 0.20 0.00 -1.26 -3.83 105.19 107.16 1sux n GLY 213 Ca -0.18 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.21 1sux n GLY 213 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1sux n SER 214 N 0.00 -5.74 -4.74 1.61 7.64 -0.69 -4.40 113.62 107.29 1sux n SER 214 Ca 0.00 -0.10 -0.41 0.00 1.01 0.00 0.00 58.87 59.37 1sux n SER 214 Cb 0.00 -4.70 -0.04 0.00 -1.01 0.00 0.00 64.21 58.46 1sux n SER 214 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1sux s VAL 215 N -3.04 3.78 0.22 0.44 1.01 -1.26 -4.62 120.40 116.92 1sux s VAL 215 Ca 0.09 1.57 -0.00 0.00 0.00 0.00 0.00 61.98 63.64 1sux s VAL 215 Cb -0.04 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 1sux s VAL 215 CO 0.11 0.29 0.14 0.42 0.00 0.00 0.00 175.10 176.06 1sux s THR 216 N -0.37 0.03 0.42 3.92 -4.23 -1.26 -4.59 115.64 109.56 1sux s THR 216 Ca 0.49 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.19 1sux s THR 216 Cb -0.30 -2.51 0.21 0.00 1.34 0.00 0.00 72.50 71.24 1sux s THR 216 CO 0.36 0.00 1.99 0.00 -0.54 0.00 0.00 174.62 176.43 1sux h ALA 217 N 2.56 1.49 -0.02 3.99 0.00 -1.93 0.30 119.26 125.65 1sux h ALA 217 Ca -0.35 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.21 1sux h ALA 217 Cb 1.25 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1sux h ALA 217 CO 0.52 0.24 -0.76 0.87 0.00 0.00 0.00 179.25 180.12 1sux h LYS 218 N 0.00 0.16 -0.01 0.00 1.57 -1.96 -3.34 116.57 112.99 1sux h LYS 218 Ca -0.00 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1sux h LYS 218 Cb 0.39 0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1sux h LYS 218 CO 0.03 0.84 -0.12 0.27 -0.57 0.00 0.00 179.45 179.90 1sux n ASN 219 N -3.73 1.64 -0.04 0.86 0.23 -1.05 -4.71 115.26 108.45 1sux n ASN 219 Ca -0.03 -1.32 -0.12 0.00 -0.53 0.00 0.00 54.58 52.59 1sux n ASN 219 Cb 0.72 0.23 -0.06 0.00 -2.08 0.00 0.00 39.78 38.60 1sux n ASN 219 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1sux h ALA 220 N 2.13 0.18 -0.24 -2.53 0.00 -1.06 -3.13 119.26 114.61 1sux h ALA 220 Ca 0.00 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1sux h ALA 220 Cb 0.44 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1sux h ALA 220 CO 0.00 -0.13 -0.01 -0.09 0.00 0.00 0.00 179.25 179.02 1sux h ARG 221 N -0.03 0.06 -0.48 0.00 9.65 -1.81 -0.16 114.38 121.61 1sux h ARG 221 Ca 0.04 -0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.88 1sux h ARG 221 Cb 0.36 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.90 1sux h ARG 221 CO 0.01 0.04 0.16 1.15 2.80 0.00 0.00 179.97 184.13 1sux h THR 222 N 0.06 1.19 -0.17 0.20 2.02 -1.89 -2.40 112.91 111.92 1sux h THR 222 Ca 0.11 -0.62 -0.06 0.00 0.77 0.00 0.00 66.41 66.62 1sux h THR 222 Cb 0.15 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.20 1sux h THR 222 CO -0.20 0.24 -0.11 -0.07 0.37 0.00 0.00 175.52 175.75 1sux h LEU 223 N 0.68 0.40 -1.95 2.58 3.38 -1.38 -3.19 115.31 115.83 1sux h LEU 223 Ca 0.16 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1sux h LEU 223 Cb 0.18 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1sux h LEU 223 CO -0.01 0.74 -0.05 0.22 0.09 0.00 0.00 178.44 179.43 1sux h TYR 224 N 0.05 0.00 0.00 1.13 3.20 -0.72 -1.79 116.97 118.85 1sux h TYR 224 Ca 0.04 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1sux h TYR 224 Cb 0.60 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.87 1sux h TYR 224 CO 0.07 0.05 0.00 1.04 -1.64 0.00 0.00 178.16 177.68 1sux n GLN 225 N -4.38 0.18 -1.99 1.82 1.13 -0.93 -4.72 117.38 108.49 1sux n GLN 225 Ca -0.03 0.44 -0.39 0.00 -1.94 0.00 0.00 57.00 55.08 1sux n GLN 225 Cb 0.14 -1.86 0.01 0.00 0.11 0.00 0.00 30.24 28.63 1sux n GLN 225 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1sux s MET 226 N -3.33 3.70 0.53 -1.09 -1.94 -0.67 -4.91 119.30 111.59 1sux s MET 226 Ca 0.04 2.15 0.18 0.00 -1.71 0.00 0.00 55.69 56.35 1sux s MET 226 Cb 0.09 -2.57 1.31 0.00 2.01 0.00 0.00 34.83 35.67 1sux s MET 226 CO 0.36 -0.71 2.14 0.00 -0.01 0.00 0.00 175.02 176.80 1sux h ARG 227 N 2.24 0.00 -0.32 2.03 2.47 -1.89 -3.10 114.38 115.82 1sux h ARG 227 Ca -0.50 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.22 1sux h ARG 227 Cb 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.58 1sux h ARG 227 CO 0.61 0.00 0.00 -0.25 0.56 0.00 0.00 179.97 180.89 1sux n ASP 228 N -4.48 3.69 -4.51 7.04 9.92 -1.26 -4.93 116.55 122.02 1sux n ASP 228 Ca -0.01 -2.67 -0.36 0.00 -0.53 0.00 0.00 54.79 51.22 1sux n ASP 228 Cb 0.15 -0.45 -0.12 0.00 -0.64 0.00 0.00 41.12 40.06 1sux n ASP 228 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1sux s ILE 229 N -2.20 4.48 -0.22 0.53 1.01 -1.17 -4.67 121.20 118.96 1sux s ILE 229 Ca 0.37 -0.12 0.14 0.00 0.00 0.00 0.00 60.65 61.04 1sux s ILE 229 Cb 0.27 -3.07 0.50 0.00 0.01 0.00 0.00 42.46 40.18 1sux s ILE 229 CO 0.12 0.37 1.42 0.59 0.00 0.00 0.00 174.94 177.44 1sux n ASN 230 N 4.47 3.26 0.00 3.58 4.13 -0.02 -4.83 115.26 125.84 1sux n ASN 230 Ca -0.16 -3.30 0.00 0.00 1.68 0.00 0.00 54.58 52.80 1sux n ASN 230 Cb 0.52 -0.57 0.00 0.00 -1.54 0.00 0.00 39.78 38.19 1sux n ASN 230 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1sux n GLY 231 N -0.82 0.97 3.09 7.41 0.00 -1.26 -1.47 105.19 113.12 1sux n GLY 231 Ca 0.25 -1.91 -0.08 0.00 0.00 0.00 0.00 46.02 44.29 1sux n GLY 231 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1sux s PHE 232 N -2.46 0.34 -0.25 1.61 0.08 -0.67 -1.57 117.98 115.07 1sux s PHE 232 Ca 0.00 -0.76 -0.01 0.00 0.12 0.00 0.00 56.93 56.28 1sux s PHE 232 Cb 0.00 -0.25 0.03 0.00 -0.57 0.00 0.00 43.02 42.23 1sux s PHE 232 CO 0.00 -0.36 -0.07 -1.17 -0.10 0.00 0.00 175.22 173.52 1sux s LEU 233 N -2.43 3.21 -0.15 -0.37 2.96 -0.49 -0.73 118.68 120.67 1sux s LEU 233 Ca -0.01 -0.95 -0.04 0.00 -0.22 0.00 0.00 54.13 52.91 1sux s LEU 233 Cb 0.02 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 1sux s LEU 233 CO -0.07 -0.14 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.11 1sux s VAL 234 N 1.29 4.08 0.00 1.68 1.01 0.12 -4.09 120.40 124.49 1sux s VAL 234 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 61.98 61.67 1sux s VAL 234 Cb -0.17 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.42 1sux s VAL 234 CO -0.05 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1sux n GLY 235 N 3.37 0.18 0.31 4.51 0.00 -1.26 0.20 105.19 112.50 1sux n GLY 235 Ca -0.17 0.00 0.10 0.00 0.00 0.00 0.00 46.02 45.94 1sux n GLY 235 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1sux h GLY 236 N 0.00 1.47 2.00 -0.02 0.00 -1.92 -1.40 103.07 103.20 1sux h GLY 236 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1sux h GLY 236 CO 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 176.54 176.43 1sux n ALA 237 N -2.44 2.05 0.55 3.60 0.00 -1.26 -3.19 120.51 119.82 1sux n ALA 237 Ca 0.19 -0.08 0.13 0.00 0.00 0.00 0.00 53.44 53.69 1sux n ALA 237 Cb 0.52 -1.37 0.40 0.00 0.00 0.00 0.00 19.45 19.00 1sux n ALA 237 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1sux h SER 238 N 0.00 0.00 -0.35 0.00 4.64 -1.47 -2.83 113.55 113.54 1sux h SER 238 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1sux h SER 238 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1sux h SER 238 CO 0.00 0.00 0.00 -0.11 -0.87 0.00 0.00 176.83 175.85 1sux n LEU 239 N -2.36 2.60 -4.62 5.97 7.94 -1.19 -4.84 117.00 120.50 1sux n LEU 239 Ca 0.05 -1.17 -0.24 0.00 -1.11 0.00 0.00 56.01 53.54 1sux n LEU 239 Cb 0.41 -0.23 -0.08 0.00 0.53 0.00 0.00 43.42 44.05 1sux n LEU 239 CO 0.29 0.58 -0.32 -0.54 -1.11 0.00 0.00 177.39 176.29 1sux s LYS 240 N -1.55 2.09 0.51 1.96 1.02 -1.07 -5.04 119.74 117.67 1sux s LYS 240 Ca 0.35 -1.68 0.24 0.00 0.02 0.00 0.00 55.97 54.90 1sux s LYS 240 Cb 0.19 -1.97 1.37 0.00 -0.52 0.00 0.00 37.83 36.91 1sux s LYS 240 CO 0.27 0.20 2.08 -1.35 -0.92 0.00 0.00 175.35 175.63 1sux h PRO 241 N 1.86 0.00 0.00 -1.68 0.11 -1.91 -2.51 132.00 127.88 1sux h PRO 241 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1sux h PRO 241 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1sux h PRO 241 CO 0.65 0.12 0.00 -0.85 -0.21 0.00 0.00 178.00 177.70 1sux n GLU 242 N -3.89 0.01 0.25 1.05 0.28 -1.26 -2.14 120.64 114.94 1sux n GLU 242 Ca -0.02 0.46 0.10 0.00 -0.16 0.00 0.00 57.16 57.54 1sux n GLU 242 Cb 0.21 -1.53 0.69 0.00 1.43 0.00 0.00 31.44 32.25 1sux n GLU 242 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 1sux h PHE 243 N 0.00 0.00 -0.55 -1.84 3.57 -1.51 -1.08 116.94 115.52 1sux h PHE 243 Ca 0.00 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 1sux h PHE 243 Cb 0.05 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1sux h PHE 243 CO 0.00 0.00 -0.06 0.28 -2.23 0.00 0.00 178.31 176.30 1sux h VAL 244 N 0.00 1.26 -0.23 1.41 2.07 -1.69 -2.33 116.25 116.74 1sux h VAL 244 Ca 0.02 -1.20 -0.07 0.00 0.82 0.00 0.00 66.70 66.26 1sux h VAL 244 Cb 0.07 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1sux h VAL 244 CO -0.00 0.43 -0.17 -0.33 0.02 0.00 0.00 177.57 177.52 1sux h GLU 245 N 0.91 0.40 -0.55 1.57 5.08 -1.41 -1.48 114.58 119.10 1sux h GLU 245 Ca 0.15 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 1sux h GLU 245 Cb 0.61 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1sux h GLU 245 CO 0.04 0.57 -0.01 0.82 -1.00 0.00 0.00 179.01 179.42 1sux h ILE 246 N 0.37 1.26 -0.25 3.13 2.04 -1.07 -1.21 117.51 121.77 1sux h ILE 246 Ca 0.07 -1.11 -0.04 0.00 1.00 0.00 0.00 64.86 64.78 1sux h ILE 246 Cb 0.52 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1sux h ILE 246 CO 0.03 0.40 0.01 0.40 0.00 0.00 0.00 178.15 178.99 1sux h ILE 247 N 0.88 1.25 -0.21 -0.67 2.04 -0.97 -2.44 117.51 117.39 1sux h ILE 247 Ca 0.16 -0.87 0.06 0.00 1.00 0.00 0.00 64.86 65.21 1sux h ILE 247 Cb 0.53 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 1sux h ILE 247 CO 0.03 0.27 0.16 -0.33 0.00 0.00 0.00 178.15 178.28 1sux h GLU 248 N 0.23 0.00 0.00 2.37 5.08 -0.96 -0.31 114.58 120.98 1sux h GLU 248 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1sux h GLU 248 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1sux h GLU 248 CO 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.02 1sux n ALA 249 N -2.54 1.60 0.06 3.43 0.00 -0.49 -2.06 120.51 120.51 1sux n ALA 249 Ca 0.02 -0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.51 1sux n ALA 249 Cb 0.30 -1.18 0.27 0.00 0.00 0.00 0.00 19.45 18.84 1sux n ALA 249 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1sux n THR 250 N -1.39 0.85 0.99 0.00 -2.24 -0.13 -4.59 114.28 107.78 1sux n THR 250 Ca 0.04 -0.82 0.08 0.00 -2.27 0.00 0.00 64.05 61.08 1sux n THR 250 Cb 0.11 0.38 0.47 0.00 -2.10 0.00 0.00 70.33 69.19 1sux n THR 250 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79