#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5tim s LYS 3 N 0.00 0.57 1.00 -1.46 1.02 -1.26 -5.11 119.74 114.50 5tim s LYS 3 Ca 0.00 -0.81 -0.17 0.00 0.02 0.00 0.00 55.97 55.01 5tim s LYS 3 Cb 0.00 -0.33 0.25 0.00 -0.52 0.00 0.00 37.83 37.22 5tim s LYS 3 CO 0.00 0.06 0.90 -0.35 -0.92 0.00 0.00 175.35 175.04 5tim n PRO 4 N 1.35 -2.71 -1.75 -1.68 -0.04 -1.26 -4.93 135.00 123.97 5tim n PRO 4 Ca -0.22 -1.43 -0.42 0.00 -0.04 0.00 0.00 63.50 61.39 5tim n PRO 4 Cb 0.55 -1.33 -0.03 0.00 -0.04 0.00 0.00 33.50 32.65 5tim n PRO 4 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 5tim s GLN 5 N -5.04 4.13 0.71 0.54 0.74 -1.26 -4.98 119.66 114.51 5tim s GLN 5 Ca 0.58 2.58 -0.11 0.00 0.05 0.00 0.00 55.36 58.46 5tim s GLN 5 Cb -0.06 -3.08 0.02 0.00 1.10 0.00 0.00 33.01 31.00 5tim s GLN 5 CO 0.44 -0.73 1.08 -1.25 -0.55 0.00 0.00 175.29 174.28 5tim s PRO 6 N 1.01 2.80 -0.06 1.67 0.04 -1.26 -4.90 135.00 134.32 5tim s PRO 6 Ca 0.73 0.65 0.02 0.00 0.04 0.00 0.00 61.00 62.45 5tim s PRO 6 Cb -0.49 -2.00 0.01 0.00 0.04 0.00 0.00 34.50 32.06 5tim s PRO 6 CO 0.33 -1.12 -0.10 0.42 0.04 0.00 0.00 177.00 176.57 5tim s ILE 7 N -3.21 0.98 -0.43 0.56 1.01 -0.85 -1.89 121.20 117.36 5tim s ILE 7 Ca 0.58 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.84 5tim s ILE 7 Cb -0.12 -0.90 0.12 0.00 0.01 0.00 0.00 42.46 41.56 5tim s ILE 7 CO 0.53 0.32 0.19 0.00 0.00 0.00 0.00 174.94 175.98 5tim s ALA 8 N 0.65 3.15 -0.22 9.38 0.00 -0.31 -1.48 121.76 132.92 5tim s ALA 8 Ca -0.13 -2.73 -0.08 0.00 0.00 0.00 0.00 51.96 49.02 5tim s ALA 8 Cb -0.15 -2.26 -0.04 0.00 0.00 0.00 0.00 23.12 20.67 5tim s ALA 8 CO 0.03 -1.83 0.09 0.00 0.00 0.00 0.00 175.76 174.05 5tim s ALA 9 N 0.71 3.37 -0.33 0.00 0.00 0.13 -1.01 121.76 124.63 5tim s ALA 9 Ca 0.11 -0.93 -0.11 0.00 0.00 0.00 0.00 51.96 51.04 5tim s ALA 9 Cb -0.22 -2.10 0.00 0.00 0.00 0.00 0.00 23.12 20.81 5tim s ALA 9 CO -0.05 -0.17 0.18 0.00 0.00 0.00 0.00 175.76 175.72 5tim s ALA 10 N 1.03 3.31 -0.51 0.00 0.00 -0.18 0.11 121.76 125.52 5tim s ALA 10 Ca 0.05 -1.48 -0.11 0.00 0.00 0.00 0.00 51.96 50.41 5tim s ALA 10 Cb -0.14 -2.49 0.13 0.00 0.00 0.00 0.00 23.12 20.62 5tim s ALA 10 CO 0.03 -1.05 0.41 1.21 0.00 0.00 0.00 175.76 176.37 5tim s ASN 11 N 1.61 5.89 0.14 0.00 2.47 0.64 -1.18 114.94 124.52 5tim s ASN 11 Ca 0.04 -1.93 0.19 0.00 0.42 0.00 0.00 52.86 51.58 5tim s ASN 11 Cb -0.18 -2.08 0.80 0.00 -1.45 0.00 0.00 41.25 38.35 5tim s ASN 11 CO 0.07 -0.74 1.59 0.79 -3.72 0.00 0.00 177.10 175.09 5tim n TRP 12 N 4.94 0.43 -2.83 0.43 8.01 -0.73 -4.41 117.44 123.28 5tim n TRP 12 Ca -0.09 0.17 0.00 0.00 -1.31 0.00 0.00 57.50 56.27 5tim n TRP 12 Cb 0.41 -0.77 0.00 0.00 -2.01 0.00 0.00 31.31 28.93 5tim n TRP 12 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 5tim n LYS 13 N -1.89 0.00 -2.31 -0.99 5.02 -1.26 -3.26 118.16 113.47 5tim n LYS 13 Ca 0.03 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.91 5tim n LYS 13 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.21 5tim n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 5tim s ASN 15 N -0.11 0.42 0.00 0.00 0.01 -1.20 -5.15 114.94 108.91 5tim s ASN 15 Ca 0.45 -0.83 0.00 0.00 -0.71 0.00 0.00 52.86 51.78 5tim s ASN 15 Cb 0.15 0.16 0.00 0.00 0.41 0.00 0.00 41.25 41.97 5tim s ASN 15 CO -0.06 -0.49 0.00 0.61 -1.51 0.00 0.00 177.10 175.65 5tim n GLY 16 N 0.63 3.37 3.38 0.66 0.00 -1.26 -4.77 105.19 107.20 5tim n GLY 16 Ca -0.17 -1.66 -0.20 0.00 0.00 0.00 0.00 46.02 43.98 5tim n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 5tim s SER 17 N 0.00 2.84 0.29 1.61 1.04 -1.26 -4.99 113.70 113.23 5tim s SER 17 Ca 0.00 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.41 5tim s SER 17 Cb 0.00 -0.18 0.51 0.00 0.10 0.00 0.00 66.02 66.46 5tim s SER 17 CO 0.00 -0.12 1.89 1.56 0.98 0.00 0.00 173.24 177.54 5tim h GLN 18 N 2.48 1.02 0.56 4.02 4.20 -1.99 -0.80 115.11 124.60 5tim h GLN 18 Ca -0.39 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.24 5tim h GLN 18 Cb 1.23 -0.23 0.01 0.00 0.30 0.00 0.00 27.48 28.79 5tim h GLN 18 CO 0.62 0.67 -0.27 0.37 -0.67 0.00 0.00 178.83 179.55 5tim h GLN 19 N 1.05 -0.72 -0.77 1.46 5.75 -1.99 -1.14 115.11 118.76 5tim h GLN 19 Ca 0.43 0.05 0.07 0.00 -0.15 0.00 0.00 58.65 59.05 5tim h GLN 19 Cb 0.27 0.16 -0.05 0.00 1.07 0.00 0.00 27.48 28.94 5tim h GLN 19 CO -0.18 -0.42 0.50 0.66 -2.65 0.00 0.00 178.83 176.75 5tim h SER 20 N -1.05 0.69 0.15 -0.69 4.64 -1.94 0.23 113.55 115.57 5tim h SER 20 Ca -0.08 0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 61.03 5tim h SER 20 Cb 0.64 -0.14 0.01 0.00 -0.31 0.00 0.00 62.40 62.60 5tim h SER 20 CO 0.13 0.43 -0.86 -0.07 -0.87 0.00 0.00 176.83 175.59 5tim h LEU 21 N 0.78 0.68 -0.16 5.97 3.38 -1.11 -2.43 115.31 122.41 5tim h LEU 21 Ca 0.34 -0.49 0.05 0.00 0.09 0.00 0.00 57.88 57.86 5tim h LEU 21 Cb 0.31 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 5tim h LEU 21 CO -0.12 1.27 -0.14 0.28 0.09 0.00 0.00 178.44 179.82 5tim h SER 22 N 0.34 -0.45 -0.68 -0.43 0.02 -0.87 0.22 113.55 111.71 5tim h SER 22 Ca -0.07 0.09 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 5tim h SER 22 Cb 1.48 0.22 -0.04 0.00 0.14 0.00 0.00 62.40 64.20 5tim h SER 22 CO 0.16 -0.18 0.45 -0.33 -1.14 0.00 0.00 176.83 175.78 5tim h GLU 23 N -0.16 0.78 0.02 3.45 5.08 -0.85 -2.11 114.58 120.78 5tim h GLU 23 Ca 0.10 -0.05 -0.24 0.00 -1.00 0.00 0.00 59.36 58.18 5tim h GLU 23 Cb 0.31 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.39 5tim h GLU 23 CO -0.26 0.52 -1.00 1.25 -1.00 0.00 0.00 179.01 178.52 5tim h LEU 24 N 0.80 0.60 -0.58 1.33 5.85 -0.91 -3.17 115.31 119.24 5tim h LEU 24 Ca 0.27 -0.50 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 5tim h LEU 24 Cb 0.09 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 5tim h LEU 24 CO -0.08 1.30 0.34 0.40 -0.34 0.00 0.00 178.44 180.06 5tim h ILE 25 N 0.25 1.18 -0.52 4.05 1.08 -0.33 -2.04 117.51 121.18 5tim h ILE 25 Ca -0.10 -0.43 0.04 0.00 -0.39 0.00 0.00 64.86 63.98 5tim h ILE 25 Cb 1.64 0.41 -0.04 0.00 -3.07 0.00 0.00 36.82 35.76 5tim h ILE 25 CO 0.18 0.19 0.28 0.44 -0.69 0.00 0.00 178.15 178.55 5tim h ASP 26 N 0.79 0.42 -0.48 1.72 3.32 -1.40 0.55 116.42 121.35 5tim h ASP 26 Ca 0.21 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.32 5tim h ASP 26 Cb 0.01 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 5tim h ASP 26 CO -0.04 0.29 0.23 0.25 -1.72 0.00 0.00 179.24 178.25 5tim h LEU 27 N 0.55 0.31 -0.68 1.55 6.46 -1.50 0.37 115.31 122.37 5tim h LEU 27 Ca 0.22 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 58.04 5tim h LEU 27 Cb 0.10 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 39.97 5tim h LEU 27 CO -0.14 0.22 0.43 -0.26 -0.62 0.00 0.00 178.44 178.08 5tim h PHE 28 N 0.45 0.82 -0.84 1.25 0.04 -0.66 -2.21 116.94 115.78 5tim h PHE 28 Ca 0.21 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.01 5tim h PHE 28 Cb 0.14 -0.27 -0.04 0.00 2.20 0.00 0.00 35.95 37.97 5tim h PHE 28 CO -0.11 0.49 0.54 -0.91 -0.60 0.00 0.00 178.31 177.72 5tim h ASN 29 N 0.87 0.98 0.59 2.17 2.35 0.17 -1.83 115.58 120.88 5tim h ASN 29 Ca 0.26 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 5tim h ASN 29 Cb -0.03 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.10 5tim h ASN 29 CO -0.09 0.72 0.00 -1.20 -1.65 0.00 0.00 177.43 175.21 5tim n SER 30 N -4.40 0.00 -4.73 5.81 7.64 -0.04 -4.80 113.62 113.10 5tim n SER 30 Ca 0.09 0.13 -0.41 0.00 1.01 0.00 0.00 58.87 59.69 5tim n SER 30 Cb 0.03 -0.36 -0.03 0.00 -1.01 0.00 0.00 64.21 62.84 5tim n SER 30 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 5tim s THR 31 N -2.72 3.21 -0.36 0.44 2.01 -0.69 -4.99 115.64 112.55 5tim s THR 31 Ca 0.19 0.97 -0.18 0.00 0.31 0.00 0.00 61.69 62.98 5tim s THR 31 Cb 0.16 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 69.05 5tim s THR 31 CO 0.40 0.13 0.52 -0.44 -0.69 0.00 0.00 174.62 174.54 5tim s SER 32 N 0.49 6.31 -0.19 3.53 0.01 -1.26 -5.03 113.70 117.56 5tim s SER 32 Ca 0.58 -0.09 0.01 0.00 1.31 0.00 0.00 55.95 57.75 5tim s SER 32 Cb -0.37 -2.27 0.04 0.00 0.21 0.00 0.00 66.02 63.63 5tim s SER 32 CO 0.37 -0.51 -0.10 -0.63 0.41 0.00 0.00 173.24 172.78 5tim s ILE 33 N 2.41 1.54 -0.13 1.44 1.01 -1.26 -5.01 121.20 121.20 5tim s ILE 33 Ca 0.19 -0.91 0.19 0.00 0.00 0.00 0.00 60.65 60.12 5tim s ILE 33 Cb -0.15 -1.62 -0.23 0.00 0.01 0.00 0.00 42.46 40.47 5tim s ILE 33 CO 0.14 0.19 0.47 0.59 0.00 0.00 0.00 174.94 176.32 5tim n ASN 34 N 4.73 0.33 -4.75 3.58 4.13 -1.26 -4.95 115.26 117.06 5tim n ASN 34 Ca -0.14 0.14 -0.23 0.00 1.68 0.00 0.00 54.58 56.03 5tim n ASN 34 Cb 0.47 0.96 0.09 0.00 -1.54 0.00 0.00 39.78 39.76 5tim n ASN 34 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 5tim s HIS 35 N -2.94 1.81 -0.72 3.10 -3.43 -1.26 -5.03 115.29 106.82 5tim s HIS 35 Ca -0.07 -0.24 -0.22 0.00 -0.80 0.00 0.00 55.06 53.73 5tim s HIS 35 Cb 0.09 -2.92 0.08 0.00 -1.43 0.00 0.00 32.58 28.40 5tim s HIS 35 CO 0.84 -1.54 1.02 0.34 -2.00 0.00 0.00 174.74 173.40 5tim s ASP 36 N -4.68 6.26 0.00 7.38 2.15 -1.26 -4.95 116.67 121.57 5tim s ASP 36 Ca 0.64 -1.16 0.01 0.00 0.43 0.00 0.00 52.55 52.47 5tim s ASP 36 Cb -0.06 -2.42 -0.00 0.00 -0.30 0.00 0.00 42.92 40.13 5tim s ASP 36 CO 0.43 -1.40 -0.04 0.54 -0.17 0.00 0.00 175.17 174.54 5tim s VAL 37 N 3.92 0.30 -0.32 1.11 0.11 -1.26 -4.02 120.40 120.24 5tim s VAL 37 Ca 0.25 -0.24 -0.15 0.00 -2.93 0.00 0.00 61.98 58.92 5tim s VAL 37 Cb -0.14 -0.27 -0.02 0.00 -1.53 0.00 0.00 36.38 34.41 5tim s VAL 37 CO 0.06 0.04 0.35 -1.58 -3.33 0.00 0.00 175.10 170.64 5tim s GLN 38 N -0.22 3.72 -0.10 1.54 2.00 -0.79 -4.92 119.66 120.90 5tim s GLN 38 Ca 0.00 -0.29 -0.09 0.00 -2.00 0.00 0.00 55.36 52.98 5tim s GLN 38 Cb -0.02 -3.75 -0.04 0.00 0.80 0.00 0.00 33.01 29.99 5tim s GLN 38 CO -0.00 -0.43 0.20 0.00 -0.50 0.00 0.00 175.29 174.57 5tim s VAL 40 N -0.96 0.81 -0.31 0.00 1.01 -0.18 -1.97 120.40 118.80 5tim s VAL 40 Ca 0.17 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.82 5tim s VAL 40 Cb -0.13 -0.75 0.07 0.00 0.00 0.00 0.00 36.38 35.57 5tim s VAL 40 CO 0.06 0.27 0.01 -0.69 0.00 0.00 0.00 175.10 174.75 5tim s VAL 41 N 0.48 2.74 -0.58 2.92 1.01 0.55 -1.01 120.40 126.51 5tim s VAL 41 Ca -0.08 -1.70 -0.12 0.00 0.00 0.00 0.00 61.98 60.08 5tim s VAL 41 Cb -0.12 -2.70 0.15 0.00 0.00 0.00 0.00 36.38 33.71 5tim s VAL 41 CO 0.01 -0.26 0.49 0.00 0.00 0.00 0.00 175.10 175.35 5tim s ALA 42 N 1.15 3.64 0.60 5.51 0.00 -0.32 -0.67 121.76 131.66 5tim s ALA 42 Ca -0.02 -2.76 0.01 0.00 0.00 0.00 0.00 51.96 49.19 5tim s ALA 42 Cb -0.20 -3.11 0.06 0.00 0.00 0.00 0.00 23.12 19.87 5tim s ALA 42 CO -0.04 -2.04 0.84 -1.54 0.00 0.00 0.00 175.76 172.99 5tim s SER 43 N 2.73 5.02 0.74 0.00 1.04 -1.20 -1.78 113.70 120.25 5tim s SER 43 Ca 0.08 -0.10 -0.11 0.00 0.48 0.00 0.00 55.95 56.30 5tim s SER 43 Cb -0.24 -0.64 0.03 0.00 0.10 0.00 0.00 66.02 65.28 5tim s SER 43 CO -0.01 -1.35 1.07 0.42 0.98 0.00 0.00 173.24 174.35 5tim s THR 44 N -2.88 3.68 0.37 2.02 -4.23 -1.26 -4.22 115.64 109.13 5tim s THR 44 Ca 0.60 0.54 0.09 0.00 -1.18 0.00 0.00 61.69 61.74 5tim s THR 44 Cb -0.09 -3.17 0.31 0.00 1.34 0.00 0.00 72.50 70.89 5tim s THR 44 CO 0.40 -0.71 1.92 -0.26 -0.54 0.00 0.00 174.62 175.43 5tim h PHE 45 N -0.92 0.72 -0.26 3.99 0.04 -1.95 -2.63 116.94 115.93 5tim h PHE 45 Ca -0.44 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.33 5tim h PHE 45 Cb 1.22 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 39.13 5tim h PHE 45 CO 0.59 0.33 0.06 0.28 -0.60 0.00 0.00 178.31 178.97 5tim h VAL 46 N 0.66 1.13 -0.01 -0.55 2.07 -2.03 -3.01 116.25 114.52 5tim h VAL 46 Ca 0.36 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.43 5tim h VAL 46 Cb 0.52 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 5tim h VAL 46 CO -0.14 0.16 -0.24 1.41 0.02 0.00 0.00 177.57 178.79 5tim n HIS 47 N -4.39 0.00 -0.20 1.57 8.25 -1.00 -4.45 115.22 115.00 5tim n HIS 47 Ca 0.01 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.48 5tim n HIS 47 Cb 0.16 -0.12 0.10 0.00 1.12 0.00 0.00 29.99 31.26 5tim n HIS 47 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 5tim h LEU 48 N 1.24 -0.22 0.12 2.41 3.38 -1.43 -1.34 115.31 119.47 5tim h LEU 48 Ca 0.00 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 5tim h LEU 48 Cb 0.50 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.50 5tim h LEU 48 CO 0.00 -0.09 -0.06 0.00 0.09 0.00 0.00 178.44 178.38 5tim h ALA 49 N 1.55 -0.16 -0.71 1.53 0.00 -1.82 -0.19 119.26 119.47 5tim h ALA 49 Ca 0.32 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 5tim h ALA 49 Cb 0.52 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 5tim h ALA 49 CO -0.51 -0.59 0.43 1.98 0.00 0.00 0.00 179.25 180.57 5tim h MET 50 N -0.16 0.95 -0.61 0.00 1.85 -1.80 -0.83 114.93 114.34 5tim h MET 50 Ca -0.02 -0.08 -0.02 0.00 -0.61 0.00 0.00 59.70 58.97 5tim h MET 50 Cb 0.12 -0.20 -0.03 0.00 0.43 0.00 0.00 31.60 31.92 5tim h MET 50 CO 0.03 0.67 0.29 1.15 -0.40 0.00 0.00 176.91 178.65 5tim h THR 51 N 0.96 1.21 -0.12 -0.77 2.02 -1.10 -0.69 112.91 114.42 5tim h THR 51 Ca 0.25 -0.60 -0.01 0.00 0.77 0.00 0.00 66.41 66.82 5tim h THR 51 Cb -0.04 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 66.85 5tim h THR 51 CO -0.05 0.24 0.02 0.50 0.37 0.00 0.00 175.52 176.61 5tim h LYS 52 N 0.83 0.20 -0.35 6.66 3.64 -0.75 -1.11 116.57 125.69 5tim h LYS 52 Ca 0.21 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 5tim h LYS 52 Cb 0.12 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 5tim h LYS 52 CO -0.03 0.38 0.15 1.49 -2.27 0.00 0.00 179.45 179.18 5tim h GLU 53 N -0.02 0.52 0.12 1.90 4.81 -0.85 -3.33 114.58 117.72 5tim h GLU 53 Ca 0.04 -0.09 -0.28 0.00 -0.13 0.00 0.00 59.36 58.90 5tim h GLU 53 Cb 0.28 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.57 5tim h GLU 53 CO 0.00 0.49 -1.28 0.00 -0.73 0.00 0.00 179.01 177.49 5tim h ARG 54 N 0.42 0.25 -6.19 1.92 3.08 -1.06 -3.44 114.38 109.36 5tim h ARG 54 Ca 0.12 -0.43 -0.57 0.00 0.07 0.00 0.00 59.98 59.17 5tim h ARG 54 Cb 0.16 0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 5tim h ARG 54 CO -0.01 1.18 0.93 -0.51 -1.07 0.00 0.00 179.97 180.49 5tim s LEU 55 N -7.08 4.13 -0.00 3.04 1.43 -0.43 -4.84 118.68 114.92 5tim s LEU 55 Ca -0.05 1.63 0.03 0.00 -1.03 0.00 0.00 54.13 54.72 5tim s LEU 55 Cb 0.07 -3.54 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 5tim s LEU 55 CO 0.87 -0.84 0.10 -1.54 0.23 0.00 0.00 176.35 175.17 5tim n SER 56 N 6.87 2.32 -4.68 2.29 3.41 -1.26 -4.90 113.62 117.68 5tim n SER 56 Ca 0.14 -0.27 -0.46 0.00 -0.26 0.00 0.00 58.87 58.03 5tim n SER 56 Cb 0.45 1.08 -0.04 0.00 -0.26 0.00 0.00 64.21 65.44 5tim n SER 56 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 5tim n HIS 57 N -1.35 2.41 0.31 7.33 -0.00 -1.26 -4.86 115.22 117.79 5tim n HIS 57 Ca -0.00 -0.04 0.19 0.00 -0.00 0.00 0.00 57.72 57.87 5tim n HIS 57 Cb 0.07 -2.68 1.01 0.00 -0.00 0.00 0.00 29.99 28.39 5tim n HIS 57 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 5tim h PRO 58 N 8.65 0.00 -0.01 1.57 0.13 -1.96 -1.87 132.00 138.51 5tim h PRO 58 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 5tim h PRO 58 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 5tim h PRO 58 CO 0.94 0.00 -0.23 1.63 -0.23 0.00 0.00 178.00 180.10 5tim n LYS 59 N -3.23 0.85 -4.45 0.86 5.02 -1.26 -4.92 118.16 111.03 5tim n LYS 59 Ca -0.02 -0.48 -0.35 0.00 -2.02 0.00 0.00 58.31 55.45 5tim n LYS 59 Cb 0.21 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.63 5tim n LYS 59 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 5tim s PHE 60 N -2.48 3.10 0.21 2.13 0.40 -0.70 -1.63 117.98 119.01 5tim s PHE 60 Ca 0.25 0.14 0.06 0.00 -0.60 0.00 0.00 56.93 56.79 5tim s PHE 60 Cb 0.19 -1.76 -0.05 0.00 0.51 0.00 0.00 43.02 41.91 5tim s PHE 60 CO 0.51 0.43 -0.09 0.14 0.70 0.00 0.00 175.22 176.91 5tim s VAL 61 N -0.87 1.45 0.03 -0.44 -7.23 -0.83 -4.88 120.40 107.63 5tim s VAL 61 Ca 0.13 -2.12 -0.02 0.00 -1.81 0.00 0.00 61.98 58.16 5tim s VAL 61 Cb -0.11 -2.14 -0.04 0.00 0.56 0.00 0.00 36.38 34.65 5tim s VAL 61 CO 0.02 -0.52 0.21 0.27 -0.31 0.00 0.00 175.10 174.77 5tim s ILE 62 N -3.15 5.39 0.08 -0.62 -0.00 -1.26 -0.33 121.20 121.31 5tim s ILE 62 Ca 0.24 -0.22 0.03 0.00 -0.00 0.00 0.00 60.65 60.69 5tim s ILE 62 Cb 0.02 -3.58 -0.03 0.00 -0.00 0.00 0.00 42.46 38.86 5tim s ILE 62 CO 0.07 0.24 -0.09 0.00 -0.00 0.00 0.00 174.94 175.15 5tim s ALA 63 N -1.42 0.97 0.29 2.27 0.00 0.15 -3.89 121.76 120.14 5tim s ALA 63 Ca 0.31 -1.11 -0.03 0.00 0.00 0.00 0.00 51.96 51.13 5tim s ALA 63 Cb -0.13 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 5tim s ALA 63 CO 0.23 -0.06 0.53 0.00 0.00 0.00 0.00 175.76 176.46 5tim s ALA 64 N -2.36 3.68 -0.71 0.00 0.00 -0.60 -3.27 121.76 118.50 5tim s ALA 64 Ca 0.03 -0.71 0.24 0.00 0.00 0.00 0.00 51.96 51.51 5tim s ALA 64 Cb -0.03 -2.19 0.24 0.00 0.00 0.00 0.00 23.12 21.13 5tim s ALA 64 CO -0.01 0.19 1.20 1.04 0.00 0.00 0.00 175.76 178.19 5tim n GLN 65 N -1.16 0.23 -3.63 0.00 6.02 -1.26 -0.56 117.38 117.02 5tim n GLN 65 Ca -0.03 0.03 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 5tim n GLN 65 Cb 0.55 -1.61 -0.01 0.00 1.02 0.00 0.00 30.24 30.19 5tim n GLN 65 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 5tim s ASN 66 N -3.83 -0.13 0.17 1.08 2.47 -1.23 -4.61 114.94 108.86 5tim s ASN 66 Ca 0.06 -0.15 -0.24 0.00 0.42 0.00 0.00 52.86 52.95 5tim s ASN 66 Cb 0.15 0.25 0.06 0.00 -1.45 0.00 0.00 41.25 40.26 5tim s ASN 66 CO 0.75 -0.45 0.80 0.00 -3.72 0.00 0.00 177.10 174.48 5tim s ALA 67 N -2.68 -1.53 0.15 1.71 0.00 -1.26 -4.97 121.76 113.18 5tim s ALA 67 Ca 0.12 0.21 0.05 0.00 0.00 0.00 0.00 51.96 52.34 5tim s ALA 67 Cb 0.02 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 5tim s ALA 67 CO -0.03 -0.93 0.09 0.96 0.00 0.00 0.00 175.76 175.85 5tim s ILE 68 N -3.56 4.26 0.12 0.00 -4.36 -0.33 -4.98 121.20 112.35 5tim s ILE 68 Ca 0.08 -1.13 -0.18 0.00 -0.26 0.00 0.00 60.65 59.16 5tim s ILE 68 Cb -0.03 -3.15 -0.04 0.00 1.25 0.00 0.00 42.46 40.49 5tim s ILE 68 CO -0.01 -0.07 1.70 0.00 0.24 0.00 0.00 174.94 176.80 5tim h ALA 69 N 2.64 0.38 -2.29 2.27 0.00 -1.93 -1.95 119.26 118.37 5tim h ALA 69 Ca -0.47 -0.09 -0.47 0.00 0.00 0.00 0.00 54.91 53.87 5tim h ALA 69 Cb 1.19 -0.12 -0.15 0.00 0.00 0.00 0.00 17.79 18.72 5tim h ALA 69 CO 0.62 -0.06 -0.74 0.15 0.00 0.00 0.00 179.25 179.21 5tim s LYS 70 N -5.75 1.36 0.46 0.00 -0.14 -1.26 -4.12 119.74 110.29 5tim s LYS 70 Ca -0.13 -1.59 -0.21 0.00 -1.36 0.00 0.00 55.97 52.68 5tim s LYS 70 Cb 0.09 -1.21 -0.09 0.00 -1.68 0.00 0.00 37.83 34.93 5tim s LYS 70 CO 0.72 0.21 1.01 -1.12 -0.76 0.00 0.00 175.35 175.41 5tim s SER 71 N -3.26 6.57 0.00 2.83 0.01 -1.26 -4.73 113.70 113.85 5tim s SER 71 Ca 0.22 1.87 0.00 0.00 1.31 0.00 0.00 55.95 59.35 5tim s SER 71 Cb -0.02 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.66 5tim s SER 71 CO 0.08 -0.62 0.00 0.61 0.41 0.00 0.00 173.24 173.71 5tim n GLY 72 N -0.30 -0.72 3.40 3.44 0.00 -1.26 -5.01 105.19 104.74 5tim n GLY 72 Ca 0.08 -1.15 -0.43 0.00 0.00 0.00 0.00 46.02 44.52 5tim n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5tim n ALA 73 N -0.00 4.00 -3.13 4.61 0.00 -1.26 -4.72 120.51 120.01 5tim n ALA 73 Ca 0.00 -4.03 -0.22 0.00 0.00 0.00 0.00 53.44 49.20 5tim n ALA 73 Cb 0.00 -3.36 -0.05 0.00 0.00 0.00 0.00 19.45 16.04 5tim n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 5tim n PHE 74 N 6.86 -0.73 -1.65 0.00 3.72 -1.26 -5.13 117.46 119.28 5tim n PHE 74 Ca 0.44 -3.34 -0.47 0.00 -0.05 0.00 0.00 57.45 54.04 5tim n PHE 74 Cb 0.43 -0.10 -0.04 0.00 -0.94 0.00 0.00 39.48 38.83 5tim n PHE 74 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 5tim n THR 75 N 1.36 0.31 0.00 4.37 -1.04 -1.26 -1.84 114.28 116.19 5tim n THR 75 Ca 0.20 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 5tim n THR 75 Cb 0.55 -1.35 0.00 0.00 -1.82 0.00 0.00 70.33 67.71 5tim n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 5tim n GLY 76 N 2.83 2.51 3.95 3.41 0.00 -1.26 -5.03 105.19 111.60 5tim n GLY 76 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 5tim n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 5tim s GLU 77 N -0.45 3.31 -0.10 1.61 0.41 -0.76 -5.12 118.70 117.60 5tim s GLU 77 Ca 0.00 -0.43 0.02 0.00 -0.41 0.00 0.00 54.97 54.15 5tim s GLU 77 Cb 0.00 -2.63 0.01 0.00 -1.78 0.00 0.00 34.13 29.73 5tim s GLU 77 CO 0.00 -0.01 -0.15 0.08 -0.49 0.00 0.00 175.26 174.69 5tim s VAL 78 N -2.40 1.44 0.38 2.63 1.01 -1.26 -5.01 120.40 117.19 5tim s VAL 78 Ca 0.43 -0.61 0.07 0.00 0.00 0.00 0.00 61.98 61.87 5tim s VAL 78 Cb -0.10 -1.32 0.00 0.00 0.00 0.00 0.00 36.38 34.96 5tim s VAL 78 CO 0.36 0.43 0.53 -0.94 0.00 0.00 0.00 175.10 175.48 5tim s SER 79 N 0.96 5.82 0.09 3.32 1.04 -1.26 -1.19 113.70 122.48 5tim s SER 79 Ca -0.07 -0.26 -0.25 0.00 0.48 0.00 0.00 55.95 55.84 5tim s SER 79 Cb -0.15 -0.99 -0.13 0.00 0.10 0.00 0.00 66.02 64.85 5tim s SER 79 CO -0.01 -0.60 1.70 -0.07 0.98 0.00 0.00 173.24 175.24 5tim h LEU 80 N 0.75 -0.26 -1.62 2.42 3.38 -1.50 -0.88 115.31 117.60 5tim h LEU 80 Ca -0.43 0.02 0.08 0.00 0.09 0.00 0.00 57.88 57.64 5tim h LEU 80 Cb 1.27 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 42.07 5tim h LEU 80 CO 0.50 -0.16 0.38 -0.65 0.09 0.00 0.00 178.44 178.59 5tim h PRO 81 N -0.23 0.44 -0.28 1.13 0.10 -1.88 0.35 132.00 131.64 5tim h PRO 81 Ca -0.00 -0.03 -0.12 0.00 0.10 0.00 0.00 66.00 65.95 5tim h PRO 81 Cb 0.21 -0.10 -0.01 0.00 0.10 0.00 0.00 31.00 31.20 5tim h PRO 81 CO -0.01 0.29 -0.33 0.82 0.10 0.00 0.00 178.00 178.87 5tim h ILE 82 N 0.46 1.29 -0.01 4.15 2.04 -1.70 -1.92 117.51 121.81 5tim h ILE 82 Ca 0.25 -1.45 -0.20 0.00 1.00 0.00 0.00 64.86 64.46 5tim h ILE 82 Cb 0.40 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 5tim h ILE 82 CO -0.07 0.46 -0.87 -0.07 0.00 0.00 0.00 178.15 177.61 5tim h LEU 83 N 0.50 0.36 -0.26 1.44 3.38 0.03 -2.75 115.31 118.01 5tim h LEU 83 Ca 0.06 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 5tim h LEU 83 Cb 0.82 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 5tim h LEU 83 CO 0.07 1.07 0.09 0.50 0.09 0.00 0.00 178.44 180.26 5tim h LYS 84 N 0.16 0.40 -0.35 1.13 3.64 -0.89 -1.31 116.57 119.35 5tim h LYS 84 Ca -0.05 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.23 5tim h LYS 84 Cb 1.49 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.23 5tim h LYS 84 CO 0.14 0.46 0.13 0.22 -2.27 0.00 0.00 179.45 178.13 5tim h ASP 85 N 0.26 0.45 0.14 4.20 3.58 -1.40 -1.91 116.42 121.73 5tim h ASP 85 Ca 0.09 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.49 5tim h ASP 85 Cb 0.22 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.15 5tim h ASP 85 CO -0.00 0.42 -0.07 0.33 -2.88 0.00 0.00 179.24 177.04 5tim n PHE 86 N -4.39 0.00 -1.75 0.28 7.35 -0.95 -4.93 117.46 113.07 5tim n PHE 86 Ca 0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.71 5tim n PHE 86 Cb 0.15 -0.07 0.00 0.00 0.35 0.00 0.00 39.48 39.90 5tim n PHE 86 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 5tim n GLY 87 N 1.20 0.56 3.72 7.13 0.00 -0.72 -5.06 105.19 112.01 5tim n GLY 87 Ca 0.18 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 5tim n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 5tim s VAL 88 N -2.00 5.26 -0.04 1.61 1.01 -0.54 -4.97 120.40 120.73 5tim s VAL 88 Ca 0.00 0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.17 5tim s VAL 88 Cb 0.00 -3.38 0.09 0.00 0.00 0.00 0.00 36.38 33.09 5tim s VAL 88 CO 0.00 0.46 0.96 -3.20 0.00 0.00 0.00 175.10 173.33 5tim n ASN 89 N 3.37 1.50 -4.16 3.32 2.85 -1.26 -4.16 115.26 116.72 5tim n ASN 89 Ca -0.17 -2.18 -0.21 0.00 -0.11 0.00 0.00 54.58 51.91 5tim n ASN 89 Cb 0.52 -0.16 -0.14 0.00 1.24 0.00 0.00 39.78 41.24 5tim n ASN 89 CO 0.00 0.00 0.00 0.26 -2.11 0.00 0.00 177.26 175.41 5tim s TRP 90 N -1.29 1.33 -0.11 1.20 0.52 -1.25 0.20 118.94 119.54 5tim s TRP 90 Ca 0.10 -0.35 -0.19 0.00 0.02 0.00 0.00 56.10 55.69 5tim s TRP 90 Cb 0.09 -0.79 0.04 0.00 -1.15 0.00 0.00 33.47 31.66 5tim s TRP 90 CO 0.01 0.04 0.46 -1.50 0.02 0.00 0.00 176.95 175.98 5tim s ILE 91 N -0.79 0.02 -0.24 2.03 2.07 -0.78 -1.56 121.20 121.94 5tim s ILE 91 Ca 0.03 -0.15 -0.11 0.00 -1.41 0.00 0.00 60.65 59.01 5tim s ILE 91 Cb -0.08 -0.71 -0.05 0.00 0.13 0.00 0.00 42.46 41.75 5tim s ILE 91 CO 0.01 -0.08 0.20 -0.69 -1.91 0.00 0.00 174.94 172.47 5tim s VAL 92 N -0.50 5.33 0.07 4.00 1.01 0.28 -1.27 120.40 129.32 5tim s VAL 92 Ca -0.06 0.25 0.07 0.00 0.00 0.00 0.00 61.98 62.24 5tim s VAL 92 Cb -0.03 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 5tim s VAL 92 CO 0.03 0.32 -0.19 -0.76 0.00 0.00 0.00 175.10 174.51 5tim s LEU 93 N 1.18 2.23 -0.69 3.92 1.43 0.15 -3.53 118.68 123.38 5tim s LEU 93 Ca 0.09 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 5tim s LEU 93 Cb -0.14 -0.81 0.00 0.00 0.03 0.00 0.00 46.19 45.27 5tim s LEU 93 CO 0.06 0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.31 5tim n GLY 94 N 1.48 0.63 3.69 -3.19 0.00 -1.26 -1.08 105.19 105.45 5tim n GLY 94 Ca -0.19 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 5tim n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 5tim n HIS 95 N -3.22 2.21 -0.33 1.61 -0.00 -1.26 -4.37 115.22 109.86 5tim n HIS 95 Ca -0.07 0.52 0.21 0.00 0.46 0.00 0.00 57.72 58.83 5tim n HIS 95 Cb 0.35 -2.42 0.39 0.00 -0.12 0.00 0.00 29.99 28.19 5tim n HIS 95 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 5tim n SER 96 N 1.23 0.05 -0.04 0.26 3.41 -1.26 0.73 113.62 118.00 5tim n SER 96 Ca 0.07 1.66 -0.02 0.00 -0.26 0.00 0.00 58.87 60.33 5tim n SER 96 Cb 0.34 -0.68 0.24 0.00 -0.26 0.00 0.00 64.21 63.86 5tim n SER 96 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 5tim h GLU 97 N 0.00 0.62 -0.14 4.33 5.08 -1.98 0.57 114.58 123.05 5tim h GLU 97 Ca 0.68 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.82 5tim h GLU 97 Cb 1.59 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.75 5tim h GLU 97 CO -0.87 0.65 -0.19 0.00 -1.00 0.00 0.00 179.01 177.60 5tim h ARG 98 N 0.59 0.38 -0.65 2.33 3.08 -0.02 -1.14 114.38 118.95 5tim h ARG 98 Ca 0.12 -0.22 0.10 0.00 0.07 0.00 0.00 59.98 60.06 5tim h ARG 98 Cb 0.39 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.38 5tim h ARG 98 CO 0.02 0.79 0.24 0.00 -1.07 0.00 0.00 179.97 179.95 5tim h ARG 99 N -0.01 0.41 0.03 0.04 3.08 -1.15 0.15 114.38 116.93 5tim h ARG 99 Ca 0.02 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 5tim h ARG 99 Cb 0.74 -0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.71 5tim h ARG 99 CO 0.04 0.27 -0.38 0.00 -1.07 0.00 0.00 179.97 178.83 5tim h ALA 100 N 1.45 0.01 0.00 0.04 0.00 -0.87 -3.35 119.26 116.54 5tim h ALA 100 Ca 0.33 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.71 5tim h ALA 100 Cb 0.43 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 5tim h ALA 100 CO -0.33 0.17 -0.94 0.66 0.00 0.00 0.00 179.25 178.81 5tim n TYR 101 N -4.40 0.00 -0.50 0.00 4.01 -0.44 -4.61 117.16 111.22 5tim n TYR 101 Ca -0.11 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.70 5tim n TYR 101 Cb 0.59 -0.10 0.19 0.00 -0.31 0.00 0.00 39.34 39.71 5tim n TYR 101 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 5tim n TYR 102 N -1.53 0.61 -1.83 -0.72 4.01 0.50 -5.00 117.16 113.20 5tim n TYR 102 Ca 0.01 -0.66 -0.12 0.00 -0.16 0.00 0.00 57.90 56.97 5tim n TYR 102 Cb 0.24 -0.14 -0.02 0.00 -0.31 0.00 0.00 39.34 39.11 5tim n TYR 102 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 5tim n GLY 103 N 0.01 0.50 3.54 2.72 0.00 -1.08 -4.91 105.19 105.96 5tim n GLY 103 Ca 0.15 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 5tim n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 5tim s GLU 104 N -3.87 3.38 0.75 1.61 2.02 -1.17 -4.98 118.70 116.44 5tim s GLU 104 Ca 0.00 -0.12 -0.12 0.00 0.02 0.00 0.00 54.97 54.74 5tim s GLU 104 Cb 0.00 -4.04 0.17 0.00 0.10 0.00 0.00 34.13 30.36 5tim s GLU 104 CO 0.00 -1.53 1.03 0.25 0.02 0.00 0.00 175.26 175.03 5tim n THR 105 N 6.32 0.00 -0.12 3.63 -2.24 -1.26 -4.35 114.28 116.25 5tim n THR 105 Ca 0.04 -0.79 -0.03 0.00 -2.27 0.00 0.00 64.05 60.99 5tim n THR 105 Cb 0.48 -1.59 0.18 0.00 -2.10 0.00 0.00 70.33 67.31 5tim n THR 105 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 5tim h ASN 106 N -1.32 0.77 -0.08 3.42 2.35 -1.97 -1.79 115.58 116.96 5tim h ASN 106 Ca -0.33 -0.15 -0.14 0.00 -0.55 0.00 0.00 56.30 55.12 5tim h ASN 106 Cb 0.93 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 39.09 5tim h ASN 106 CO 0.24 0.78 -0.43 1.05 -1.65 0.00 0.00 177.43 177.41 5tim h GLU 107 N 0.78 0.62 -0.16 0.81 9.09 -1.94 -0.32 114.58 123.46 5tim h GLU 107 Ca 0.17 -0.33 -0.04 0.00 0.05 0.00 0.00 59.36 59.20 5tim h GLU 107 Cb 0.34 0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 27.45 5tim h GLU 107 CO 0.00 0.93 -0.07 0.82 0.05 0.00 0.00 179.01 180.75 5tim h ILE 108 N 0.50 1.31 -0.36 -1.06 2.04 -1.86 -1.38 117.51 116.69 5tim h ILE 108 Ca 0.04 -1.10 0.04 0.00 1.00 0.00 0.00 64.86 64.83 5tim h ILE 108 Cb 0.96 1.69 -0.04 0.00 -0.74 0.00 0.00 36.82 38.70 5tim h ILE 108 CO 0.09 0.33 0.15 0.58 0.00 0.00 0.00 178.15 179.29 5tim h VAL 109 N 0.01 0.93 -0.84 1.67 2.07 -1.19 -0.79 116.25 118.11 5tim h VAL 109 Ca 0.04 -0.11 0.08 0.00 0.82 0.00 0.00 66.70 67.53 5tim h VAL 109 Cb 0.54 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 5tim h VAL 109 CO 0.02 0.06 0.50 0.00 0.02 0.00 0.00 177.57 178.17 5tim h ALA 110 N 1.22 1.19 -0.33 1.67 0.00 -0.94 -0.04 119.26 122.02 5tim h ALA 110 Ca 0.16 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 5tim h ALA 110 Cb 0.12 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 5tim h ALA 110 CO -0.15 0.16 0.14 -0.44 0.00 0.00 0.00 179.25 178.96 5tim h ASP 111 N 0.85 0.44 -0.19 0.00 3.32 -0.72 -1.04 116.42 119.09 5tim h ASP 111 Ca 0.39 -0.15 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 5tim h ASP 111 Cb 0.30 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 5tim h ASP 111 CO -0.22 0.47 0.10 0.11 -1.72 0.00 0.00 179.24 177.98 5tim h LYS 112 N 0.38 0.27 -0.11 3.56 1.57 -0.08 -0.91 116.57 121.24 5tim h LYS 112 Ca 0.11 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 5tim h LYS 112 Cb 0.16 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 5tim h LYS 112 CO -0.01 0.26 -0.03 0.28 -0.57 0.00 0.00 179.45 179.38 5tim h VAL 113 N 0.20 0.89 -0.62 0.50 2.07 -0.90 -0.39 116.25 118.00 5tim h VAL 113 Ca 0.07 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 5tim h VAL 113 Cb 0.07 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 5tim h VAL 113 CO -0.01 0.00 0.32 0.00 0.02 0.00 0.00 177.57 177.90 5tim h ALA 114 N 1.11 0.79 -0.58 1.67 0.00 -1.06 0.14 119.26 121.33 5tim h ALA 114 Ca 0.05 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 5tim h ALA 114 Cb 0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 5tim h ALA 114 CO -0.12 0.33 0.14 0.00 0.00 0.00 0.00 179.25 179.60 5tim h ALA 115 N 1.15 0.77 -0.42 0.00 0.00 -1.03 -2.42 119.26 117.32 5tim h ALA 115 Ca 0.22 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 5tim h ALA 115 Cb 0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 5tim h ALA 115 CO -0.03 0.47 0.23 0.00 0.00 0.00 0.00 179.25 179.92 5tim h ALA 116 N 1.03 0.53 -0.56 0.00 0.00 -0.78 -1.21 119.26 118.27 5tim h ALA 116 Ca 0.18 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.09 5tim h ALA 116 Cb 0.35 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 5tim h ALA 116 CO 0.00 0.06 0.21 0.28 0.00 0.00 0.00 179.25 179.80 5tim h VAL 117 N 0.54 0.80 -0.92 0.00 2.07 -0.84 -0.74 116.25 117.16 5tim h VAL 117 Ca 0.15 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.59 5tim h VAL 117 Cb 0.05 0.38 -0.06 0.00 -1.52 0.00 0.00 31.29 30.14 5tim h VAL 117 CO -0.02 0.07 0.60 0.00 0.02 0.00 0.00 177.57 178.24 5tim h ALA 118 N 1.38 1.47 -0.02 1.67 0.00 -1.22 0.27 119.26 122.80 5tim h ALA 118 Ca 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.16 5tim h ALA 118 Cb 0.31 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.81 5tim h ALA 118 CO -0.27 0.41 0.00 0.43 0.00 0.00 0.00 179.25 179.81 5tim n SER 119 N -4.48 0.24 0.00 0.00 7.64 -0.41 -4.88 113.62 111.74 5tim n SER 119 Ca 0.13 -1.39 0.00 0.00 1.01 0.00 0.00 58.87 58.62 5tim n SER 119 Cb 0.17 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 5tim n SER 119 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 5tim n GLY 120 N 0.87 0.49 3.81 0.23 0.00 0.94 -5.05 105.19 106.48 5tim n GLY 120 Ca 0.16 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 5tim n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 5tim s PHE 121 N -2.00 3.05 -0.11 1.61 0.40 -0.47 -5.00 117.98 115.46 5tim s PHE 121 Ca 0.00 1.50 -0.20 0.00 -0.60 0.00 0.00 56.93 57.63 5tim s PHE 121 Cb 0.00 -2.98 -0.04 0.00 0.51 0.00 0.00 43.02 40.52 5tim s PHE 121 CO 0.00 -1.03 0.57 -1.64 0.70 0.00 0.00 175.22 173.82 5tim s MET 122 N -4.12 4.36 -0.11 0.44 -1.94 0.54 -4.51 119.30 113.96 5tim s MET 122 Ca 0.63 0.61 0.02 0.00 -1.71 0.00 0.00 55.69 55.24 5tim s MET 122 Cb -0.15 -3.45 -0.00 0.00 2.01 0.00 0.00 34.83 33.23 5tim s MET 122 CO 0.37 0.09 -0.20 0.08 -0.01 0.00 0.00 175.02 175.35 5tim s VAL 123 N 0.81 2.42 -0.47 -6.03 1.01 -0.48 -1.86 120.40 115.80 5tim s VAL 123 Ca 0.30 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 61.28 5tim s VAL 123 Cb -0.16 -1.97 0.10 0.00 0.00 0.00 0.00 36.38 34.36 5tim s VAL 123 CO 0.13 0.55 0.36 -0.63 0.00 0.00 0.00 175.10 175.50 5tim s ILE 124 N 0.38 4.56 -0.24 2.22 1.01 -0.39 0.35 121.20 129.09 5tim s ILE 124 Ca -0.15 -1.52 -0.16 0.00 0.00 0.00 0.00 60.65 58.82 5tim s ILE 124 Cb -0.17 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 5tim s ILE 124 CO 0.07 -0.69 0.43 0.00 0.00 0.00 0.00 174.94 174.75 5tim s ALA 125 N 1.47 3.57 -0.20 9.38 0.00 0.21 -0.67 121.76 135.51 5tim s ALA 125 Ca 0.04 -0.62 -0.08 0.00 0.00 0.00 0.00 51.96 51.30 5tim s ALA 125 Cb -0.26 -2.73 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 5tim s ALA 125 CO 0.02 -0.52 0.09 0.00 0.00 0.00 0.00 175.76 175.34 5tim s ILE 127 N 0.54 1.07 0.00 0.00 -4.36 -0.62 -4.55 121.20 113.28 5tim s ILE 127 Ca 0.05 -1.70 0.00 0.00 -0.26 0.00 0.00 60.65 58.73 5tim s ILE 127 Cb -0.12 -1.45 0.00 0.00 1.25 0.00 0.00 42.46 42.13 5tim s ILE 127 CO 0.01 -0.54 0.00 0.61 0.24 0.00 0.00 174.94 175.26 5tim n GLY 128 N 0.48 2.92 3.93 6.27 0.00 -1.26 -0.14 105.19 117.40 5tim n GLY 128 Ca -0.15 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.04 5tim n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 5tim s GLU 129 N -2.00 3.49 0.66 1.61 1.03 -1.26 -4.81 118.70 117.42 5tim s GLU 129 Ca 0.00 -0.43 -0.03 0.00 0.03 0.00 0.00 54.97 54.54 5tim s GLU 129 Cb 0.00 -2.87 0.06 0.00 -0.80 0.00 0.00 34.13 30.52 5tim s GLU 129 CO 0.00 0.43 0.93 0.95 -1.33 0.00 0.00 175.26 176.24 5tim s THR 130 N -1.85 2.40 0.16 1.83 -4.23 -1.26 -2.48 115.64 110.20 5tim s THR 130 Ca 0.37 -0.45 -0.22 0.00 -1.18 0.00 0.00 61.69 60.21 5tim s THR 130 Cb -0.11 -2.95 0.04 0.00 1.34 0.00 0.00 72.50 70.83 5tim s THR 130 CO 0.29 0.00 1.63 0.25 -0.54 0.00 0.00 174.62 176.25 5tim h LEU 131 N -0.37 -0.80 -1.11 4.79 5.85 -1.81 -1.65 115.31 120.21 5tim h LEU 131 Ca -0.43 0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.46 5tim h LEU 131 Cb 1.30 0.38 -0.05 0.00 0.37 0.00 0.00 40.66 42.67 5tim h LEU 131 CO 0.54 -0.28 0.60 0.06 -0.34 0.00 0.00 178.44 179.02 5tim h GLN 132 N -0.23 1.18 -0.54 1.25 -0.00 -1.96 -1.65 115.11 113.16 5tim h GLN 132 Ca 0.15 -0.07 -0.04 0.00 -0.00 0.00 0.00 58.65 58.69 5tim h GLN 132 Cb 0.47 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.48 27.66 5tim h GLN 132 CO -0.42 0.78 0.16 0.93 -0.00 0.00 0.00 178.83 180.28 5tim h GLU 133 N 1.21 0.80 -0.11 0.06 5.08 -1.89 -0.07 114.58 119.67 5tim h GLU 133 Ca 0.34 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 5tim h GLU 133 Cb -0.11 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.00 5tim h GLU 133 CO -0.08 0.70 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.51 5tim h ARG 134 N 0.78 0.22 -0.18 2.33 2.43 -0.58 0.68 114.38 120.06 5tim h ARG 134 Ca 0.18 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 5tim h ARG 134 Cb 0.24 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 5tim h ARG 134 CO -0.01 0.54 -0.14 0.93 -1.51 0.00 0.00 179.97 179.78 5tim h GLU 135 N -0.11 0.29 -0.17 0.20 5.08 -1.31 0.24 114.58 118.80 5tim h GLU 135 Ca 0.03 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 5tim h GLU 135 Cb 0.46 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.67 5tim h GLU 135 CO 0.01 0.44 0.00 -1.13 -1.00 0.00 0.00 179.01 177.33 5tim n SER 136 N -4.25 1.14 -0.31 1.42 3.41 -0.04 -4.90 113.62 110.10 5tim n SER 136 Ca -0.00 -1.82 -0.04 0.00 -0.26 0.00 0.00 58.87 56.75 5tim n SER 136 Cb 0.29 -0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 64.11 5tim n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 5tim n GLY 137 N 0.93 0.63 1.60 5.00 0.00 0.84 -4.92 105.19 109.26 5tim n GLY 137 Ca 0.11 -0.26 0.06 0.00 0.00 0.00 0.00 46.02 45.93 5tim n GLY 137 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 5tim n ARG 138 N -1.87 4.01 -0.12 1.61 1.85 0.24 -4.66 116.66 117.72 5tim n ARG 138 Ca -0.04 -2.59 -0.11 0.00 -1.00 0.00 0.00 57.85 54.11 5tim n ARG 138 Cb 0.26 -2.05 -0.05 0.00 -1.05 0.00 0.00 32.46 29.56 5tim n ARG 138 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 5tim h THR 139 N 3.41 0.10 -0.40 8.89 2.02 -1.81 -0.24 112.91 124.88 5tim h THR 139 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 5tim h THR 139 Cb 1.61 0.10 -0.05 0.00 -1.74 0.00 0.00 68.15 68.07 5tim h THR 139 CO 0.35 0.00 0.12 0.00 0.37 0.00 0.00 175.52 176.36 5tim h ALA 140 N 0.34 0.46 -0.43 6.16 0.00 -1.94 -0.89 119.26 122.96 5tim h ALA 140 Ca 0.12 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 5tim h ALA 140 Cb 0.59 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 5tim h ALA 140 CO -0.56 -0.27 0.20 0.28 0.00 0.00 0.00 179.25 178.89 5tim h VAL 141 N 0.27 1.19 0.23 0.00 2.07 -1.77 -0.20 116.25 118.04 5tim h VAL 141 Ca 0.19 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 5tim h VAL 141 Cb 0.19 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 5tim h VAL 141 CO -0.21 0.21 -0.11 0.58 0.02 0.00 0.00 177.57 178.06 5tim h VAL 142 N 0.56 0.82 0.19 2.57 2.07 -0.92 -1.87 116.25 119.67 5tim h VAL 142 Ca 0.15 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.93 5tim h VAL 142 Cb 0.14 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 5tim h VAL 142 CO -0.02 0.15 -0.35 -0.37 0.02 0.00 0.00 177.57 177.01 5tim h VAL 143 N -0.72 0.27 -0.31 2.57 -1.51 -1.13 0.14 116.25 115.57 5tim h VAL 143 Ca -0.03 0.00 0.06 0.00 -1.23 0.00 0.00 66.70 65.50 5tim h VAL 143 Cb 0.49 0.27 -0.02 0.00 -2.13 0.00 0.00 31.29 29.90 5tim h VAL 143 CO 0.05 0.00 0.21 -0.07 -1.23 0.00 0.00 177.57 176.54 5tim h LEU 144 N -0.63 0.12 -0.47 4.19 3.38 -1.12 -0.33 115.31 120.45 5tim h LEU 144 Ca 0.01 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.81 5tim h LEU 144 Cb 0.62 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 5tim h LEU 144 CO -0.16 0.08 -0.65 0.74 0.09 0.00 0.00 178.44 178.53 5tim h THR 145 N 0.14 1.36 -0.30 0.22 2.02 -0.78 -1.70 112.91 113.88 5tim h THR 145 Ca 0.14 -2.00 -0.14 0.00 0.77 0.00 0.00 66.41 65.18 5tim h THR 145 Cb 0.38 1.98 -0.00 0.00 -1.74 0.00 0.00 68.15 68.77 5tim h THR 145 CO -0.02 0.61 -0.36 1.56 0.37 0.00 0.00 175.52 177.68 5tim h GLN 146 N 0.31 0.77 -0.17 6.66 4.20 0.69 -2.50 115.11 125.07 5tim h GLN 146 Ca -0.02 -0.43 -0.04 0.00 0.06 0.00 0.00 58.65 58.22 5tim h GLN 146 Cb 1.21 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 29.01 5tim h GLN 146 CO 0.11 1.05 -0.07 0.97 -0.67 0.00 0.00 178.83 180.23 5tim h ILE 147 N 0.52 1.30 -1.00 2.54 6.09 -1.27 -3.13 117.51 122.57 5tim h ILE 147 Ca 0.04 -1.09 0.15 0.00 -1.37 0.00 0.00 64.86 62.58 5tim h ILE 147 Cb 0.94 1.67 -0.09 0.00 0.47 0.00 0.00 36.82 39.82 5tim h ILE 147 CO 0.09 0.32 0.61 0.00 -3.07 0.00 0.00 178.15 176.10 5tim h ALA 148 N 0.69 1.56 -0.76 0.18 0.00 -1.33 0.27 119.26 119.86 5tim h ALA 148 Ca 0.04 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.02 5tim h ALA 148 Cb 0.53 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 5tim h ALA 148 CO 0.02 0.11 0.49 0.00 0.00 0.00 0.00 179.25 179.87 5tim h ALA 149 N 1.58 1.00 0.07 0.00 0.00 -1.46 -0.71 119.26 119.73 5tim h ALA 149 Ca 0.52 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.40 5tim h ALA 149 Cb 0.64 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.17 5tim h ALA 149 CO -0.31 0.30 -0.03 0.82 0.00 0.00 0.00 179.25 180.02 5tim h ILE 150 N 0.96 1.23 -0.91 0.00 2.04 -1.02 -3.29 117.51 116.52 5tim h ILE 150 Ca 0.30 -1.25 0.19 0.00 1.00 0.00 0.00 64.86 65.11 5tim h ILE 150 Cb -0.00 2.01 -0.07 0.00 -0.74 0.00 0.00 36.82 38.02 5tim h ILE 150 CO -0.11 0.30 0.59 0.00 0.00 0.00 0.00 178.15 178.94 5tim h ALA 151 N 0.16 2.10 -0.00 1.87 0.00 -0.24 -2.61 119.26 120.53 5tim h ALA 151 Ca -0.01 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 5tim h ALA 151 Cb 0.56 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 5tim h ALA 151 CO 0.02 -0.39 -0.09 1.57 0.00 0.00 0.00 179.25 180.36 5tim h LYS 152 N 0.48 0.01 -0.01 0.00 2.10 -1.20 -1.11 116.57 116.84 5tim h LYS 152 Ca 0.48 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.13 5tim h LYS 152 Cb 1.08 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 5tim h LYS 152 CO -0.20 0.10 -0.10 1.63 -2.00 0.00 0.00 179.45 178.87 5tim n LYS 153 N -4.43 1.03 -4.14 0.07 4.01 -0.98 -4.90 118.16 108.82 5tim n LYS 153 Ca -0.03 -0.48 -0.22 0.00 -0.51 0.00 0.00 58.31 57.07 5tim n LYS 153 Cb 0.17 -1.49 -0.05 0.00 -0.51 0.00 0.00 35.03 33.15 5tim n LYS 153 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 5tim s LEU 154 N -2.30 3.73 0.16 -0.35 1.43 -0.42 -4.94 118.68 116.00 5tim s LEU 154 Ca 0.32 -0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 53.10 5tim s LEU 154 Cb 0.20 -2.26 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 5tim s LEU 154 CO 0.44 -0.03 0.36 -0.54 0.23 0.00 0.00 176.35 176.80 5tim s LYS 155 N -3.81 3.54 0.38 1.70 1.02 -1.26 -4.99 119.74 116.32 5tim s LYS 155 Ca 0.33 -0.27 0.12 0.00 0.02 0.00 0.00 55.97 56.16 5tim s LYS 155 Cb -0.08 -2.87 0.92 0.00 -0.52 0.00 0.00 37.83 35.28 5tim s LYS 155 CO 0.24 0.45 1.88 -0.22 -0.92 0.00 0.00 175.35 176.79 5tim h LYS 156 N 2.42 0.56 0.00 1.68 3.64 -1.97 0.13 116.57 123.02 5tim h LYS 156 Ca -0.47 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 58.84 5tim h LYS 156 Cb 1.18 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 5tim h LYS 156 CO 0.71 0.37 -0.20 0.00 -2.27 0.00 0.00 179.45 178.06 5tim h ALA 157 N 1.61 1.26 0.00 5.00 0.00 -2.02 -2.33 119.26 122.79 5tim h ALA 157 Ca 0.43 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 5tim h ALA 157 Cb 0.81 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 5tim h ALA 157 CO -0.18 0.25 -0.07 -0.44 0.00 0.00 0.00 179.25 178.81 5tim h ASP 158 N 0.00 0.00 -0.23 0.00 3.32 -1.14 -3.00 116.42 115.37 5tim h ASP 158 Ca -0.00 0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.12 5tim h ASP 158 Cb 0.49 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 5tim h ASP 158 CO 0.03 0.07 0.23 -0.50 -1.72 0.00 0.00 179.24 177.35 5tim h TRP 159 N 0.00 0.00 0.00 4.55 4.06 -1.46 -1.65 115.95 121.45 5tim h TRP 159 Ca -0.00 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.95 5tim h TRP 159 Cb 0.35 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.51 5tim h TRP 159 CO 0.00 0.00 -0.00 0.00 -3.56 0.00 0.00 178.44 174.88 5tim h ALA 160 N 1.76 1.05 -0.03 1.49 0.00 -1.73 -0.14 119.26 121.66 5tim h ALA 160 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 5tim h ALA 160 Cb 0.57 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 5tim h ALA 160 CO -0.00 0.00 -0.03 1.63 0.00 0.00 0.00 179.25 180.85 5tim n LYS 161 N -3.16 2.25 -4.47 0.00 4.76 -0.62 -4.96 118.16 111.96 5tim n LYS 161 Ca -0.03 -1.86 -0.34 0.00 -2.87 0.00 0.00 58.31 53.21 5tim n LYS 161 Cb 0.09 -1.46 -0.11 0.00 -1.84 0.00 0.00 35.03 31.72 5tim n LYS 161 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 5tim s VAL 162 N -2.03 4.03 -0.09 -0.18 1.01 -0.07 -1.38 120.40 121.68 5tim s VAL 162 Ca 0.27 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.95 5tim s VAL 162 Cb 0.20 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.89 5tim s VAL 162 CO 0.32 0.58 -0.23 -0.69 0.00 0.00 0.00 175.10 175.08 5tim s VAL 163 N -0.62 1.96 -0.10 2.92 1.01 0.16 -4.50 120.40 121.23 5tim s VAL 163 Ca 0.10 -0.97 -0.18 0.00 0.00 0.00 0.00 61.98 60.93 5tim s VAL 163 Cb -0.12 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 5tim s VAL 163 CO 0.02 0.54 0.48 -0.63 0.00 0.00 0.00 175.10 175.51 5tim s ILE 164 N 0.34 5.15 -0.22 2.22 -1.09 -0.62 0.64 121.20 127.61 5tim s ILE 164 Ca -0.18 0.96 -0.01 0.00 -2.23 0.00 0.00 60.65 59.19 5tim s ILE 164 Cb -0.17 -3.81 0.02 0.00 -1.58 0.00 0.00 42.46 36.91 5tim s ILE 164 CO 0.08 0.36 -0.11 0.00 -1.23 0.00 0.00 174.94 174.04 5tim s ALA 165 N 0.36 2.58 -0.34 9.38 0.00 0.02 0.14 121.76 133.89 5tim s ALA 165 Ca 0.26 -1.32 -0.20 0.00 0.00 0.00 0.00 51.96 50.70 5tim s ALA 165 Cb -0.16 -1.49 -0.00 0.00 0.00 0.00 0.00 23.12 21.47 5tim s ALA 165 CO 0.11 -0.57 0.61 -0.47 0.00 0.00 0.00 175.76 175.44 5tim s TYR 166 N 1.34 3.17 -0.33 0.00 5.04 0.13 -1.59 117.35 125.11 5tim s TYR 166 Ca 0.03 0.37 -0.09 0.00 -2.44 0.00 0.00 57.07 54.94 5tim s TYR 166 Cb -0.15 -3.06 0.02 0.00 0.35 0.00 0.00 41.96 39.12 5tim s TYR 166 CO -0.08 -0.57 0.14 -1.21 -1.34 0.00 0.00 175.55 172.49 5tim s GLU 167 N 2.62 2.95 -1.19 4.97 2.02 0.80 -0.63 118.70 130.25 5tim s GLU 167 Ca 0.23 -0.97 -0.21 0.00 0.02 0.00 0.00 54.97 54.04 5tim s GLU 167 Cb -0.15 -3.54 0.00 0.00 0.10 0.00 0.00 34.13 30.55 5tim s GLU 167 CO 0.14 -0.57 1.79 -1.25 0.02 0.00 0.00 175.26 175.39 5tim s PRO 168 N 1.52 3.28 0.42 0.39 0.04 -1.26 -3.99 135.00 135.39 5tim s PRO 168 Ca 0.02 -1.44 0.11 0.00 0.04 0.00 0.00 61.00 59.73 5tim s PRO 168 Cb -0.18 -5.37 0.95 0.00 0.04 0.00 0.00 34.50 29.94 5tim s PRO 168 CO 0.05 -2.96 1.99 0.28 0.04 0.00 0.00 177.00 176.39 5tim h VAL 169 N 6.09 0.95 0.00 -0.36 2.07 -1.83 -0.83 116.25 122.35 5tim h VAL 169 Ca 0.30 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.66 5tim h VAL 169 Cb 0.92 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 5tim h VAL 169 CO 1.35 0.09 0.00 -2.67 0.02 0.00 0.00 177.57 176.36 5tim n TRP 170 N -4.47 0.73 0.20 1.57 4.27 -1.03 -1.75 117.44 116.96 5tim n TRP 170 Ca 0.09 0.38 0.04 0.00 -3.89 0.00 0.00 57.50 54.12 5tim n TRP 170 Cb 0.29 -1.10 0.06 0.00 -1.36 0.00 0.00 31.31 29.20 5tim n TRP 170 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 5tim n ALA 171 N -1.78 2.38 -2.64 -1.67 0.00 -0.32 -4.60 120.51 111.89 5tim n ALA 171 Ca -0.01 -0.72 -0.43 0.00 0.00 0.00 0.00 53.44 52.27 5tim n ALA 171 Cb 0.04 -0.29 -0.09 0.00 0.00 0.00 0.00 19.45 19.12 5tim n ALA 171 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 5tim s ILE 172 N -0.77 5.21 0.00 0.00 1.01 -0.72 -4.24 121.20 121.69 5tim s ILE 172 Ca 0.12 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 59.93 5tim s ILE 172 Cb 0.07 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.56 5tim s ILE 172 CO 0.11 -0.41 0.00 0.61 0.00 0.00 0.00 174.94 175.24 5tim n GLY 173 N 5.17 1.26 0.07 6.18 0.00 -1.26 -4.86 105.19 111.75 5tim n GLY 173 Ca -0.12 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.98 5tim n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 5tim n THR 174 N -2.00 0.58 0.00 2.61 -2.24 -1.26 -4.97 114.28 107.00 5tim n THR 174 Ca 0.00 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 5tim n THR 174 Cb 0.00 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 5tim n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 5tim n GLY 175 N 1.30 0.69 3.80 3.38 0.00 -1.26 -5.06 105.19 108.04 5tim n GLY 175 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 5tim n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 5tim s LYS 176 N -0.94 3.54 -0.12 1.61 -0.14 -1.26 -5.08 119.74 117.34 5tim s LYS 176 Ca 0.00 1.26 0.02 0.00 -1.36 0.00 0.00 55.97 55.88 5tim s LYS 176 Cb 0.00 -2.06 -0.00 0.00 -1.68 0.00 0.00 37.83 34.09 5tim s LYS 176 CO 0.00 -0.64 -0.19 0.08 -0.76 0.00 0.00 175.35 173.84 5tim s VAL 177 N -2.27 2.48 -0.13 3.17 1.01 -1.26 -4.83 120.40 118.56 5tim s VAL 177 Ca 0.65 -0.86 -0.15 0.00 0.00 0.00 0.00 61.98 61.62 5tim s VAL 177 Cb -0.16 -2.00 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 5tim s VAL 177 CO 0.30 0.54 0.36 0.00 0.00 0.00 0.00 175.10 176.30 5tim s ALA 178 N 0.49 3.57 0.19 5.51 0.00 -1.26 -5.08 121.76 125.18 5tim s ALA 178 Ca -0.13 -0.35 0.04 0.00 0.00 0.00 0.00 51.96 51.53 5tim s ALA 178 Cb -0.17 -2.47 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 5tim s ALA 178 CO 0.05 0.11 0.24 0.95 0.00 0.00 0.00 175.76 177.11 5tim s THR 179 N 0.34 4.92 0.42 0.00 -4.23 -1.26 -5.00 115.64 110.83 5tim s THR 179 Ca 0.20 -0.98 0.14 0.00 -1.18 0.00 0.00 61.69 59.88 5tim s THR 179 Cb -0.14 -3.57 0.34 0.00 1.34 0.00 0.00 72.50 70.47 5tim s THR 179 CO 0.07 -0.18 1.93 -0.65 -0.54 0.00 0.00 174.62 175.25 5tim h PRO 180 N 1.94 0.44 -0.14 3.99 0.11 -1.97 -0.99 132.00 135.37 5tim h PRO 180 Ca -0.49 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 5tim h PRO 180 Cb 1.21 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 5tim h PRO 180 CO 0.64 0.29 0.05 1.96 -0.21 0.00 0.00 178.00 180.73 5tim h GLN 181 N 0.45 0.22 -0.67 1.05 7.50 -1.96 -0.28 115.11 121.42 5tim h GLN 181 Ca 0.35 -0.05 0.01 0.00 0.50 0.00 0.00 58.65 59.47 5tim h GLN 181 Cb 0.75 -0.03 -0.04 0.00 0.05 0.00 0.00 27.48 28.21 5tim h GLN 181 CO -0.12 0.34 0.44 1.96 -1.50 0.00 0.00 178.83 179.95 5tim h GLN 182 N 0.06 0.86 -0.35 1.46 4.20 -1.60 -1.88 115.11 117.87 5tim h GLN 182 Ca 0.05 -0.05 0.06 0.00 0.06 0.00 0.00 58.65 58.77 5tim h GLN 182 Cb 0.21 -0.19 -0.06 0.00 0.30 0.00 0.00 27.48 27.74 5tim h GLN 182 CO -0.00 0.57 0.00 0.00 -0.67 0.00 0.00 178.83 178.73 5tim h ALA 183 N 1.26 0.32 -0.56 3.87 0.00 -1.27 -2.31 119.26 120.58 5tim h ALA 183 Ca 0.25 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.27 5tim h ALA 183 Cb -0.07 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 5tim h ALA 183 CO -0.07 -0.40 0.37 0.37 0.00 0.00 0.00 179.25 179.53 5tim h GLN 184 N 0.10 0.72 -0.30 0.00 5.75 -0.67 -2.18 115.11 118.53 5tim h GLN 184 Ca 0.17 -0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 58.55 5tim h GLN 184 Cb 0.23 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.61 5tim h GLN 184 CO -0.28 0.48 -0.11 1.49 -2.65 0.00 0.00 178.83 177.75 5tim h GLU 185 N 0.74 0.61 -0.74 1.69 4.81 -0.92 -0.16 114.58 120.61 5tim h GLU 185 Ca 0.21 -0.25 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 5tim h GLU 185 Cb -0.07 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.25 5tim h GLU 185 CO -0.05 0.82 0.25 0.00 -0.73 0.00 0.00 179.01 179.31 5tim h ALA 186 N 0.77 0.96 -0.80 2.92 0.00 -0.87 -2.80 119.26 119.44 5tim h ALA 186 Ca 0.07 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.78 5tim h ALA 186 Cb 0.62 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 5tim h ALA 186 CO 0.04 0.62 0.53 0.45 0.00 0.00 0.00 179.25 180.89 5tim h HIS 187 N 1.08 1.00 -0.53 0.00 3.86 -1.31 -1.58 115.15 117.66 5tim h HIS 187 Ca 0.24 0.02 -0.09 0.00 -1.16 0.00 0.00 60.37 59.38 5tim h HIS 187 Cb 0.27 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.39 5tim h HIS 187 CO 0.02 0.62 -0.03 0.00 0.86 0.00 0.00 177.93 179.40 5tim h ALA 188 N 1.30 0.94 -0.00 2.45 0.00 -0.93 -1.82 119.26 121.20 5tim h ALA 188 Ca 0.30 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 5tim h ALA 188 Cb -0.09 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 5tim h ALA 188 CO -0.08 0.63 0.00 1.25 0.00 0.00 0.00 179.25 181.06 5tim h LEU 189 N 0.85 0.00 -0.24 0.00 5.85 -1.22 -1.15 115.31 119.39 5tim h LEU 189 Ca 0.15 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.65 5tim h LEU 189 Cb 0.55 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 5tim h LEU 189 CO 0.03 0.26 0.02 0.40 -0.34 0.00 0.00 178.44 178.81 5tim h ILE 190 N -0.26 0.85 -0.80 4.05 2.04 -1.17 -1.76 117.51 120.47 5tim h ILE 190 Ca 0.00 -0.04 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 5tim h ILE 190 Cb 0.26 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 5tim h ILE 190 CO 0.00 0.02 0.47 -0.09 0.00 0.00 0.00 178.15 178.55 5tim h ARG 191 N 0.10 1.09 -0.46 2.37 2.43 -1.26 -2.07 114.38 116.59 5tim h ARG 191 Ca 0.11 -0.11 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 5tim h ARG 191 Cb 0.13 -0.22 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 5tim h ARG 191 CO -0.17 0.78 0.29 0.77 -1.51 0.00 0.00 179.97 180.13 5tim h SER 192 N 1.10 0.47 -0.62 -3.80 0.02 -1.09 0.17 113.55 109.80 5tim h SER 192 Ca 0.28 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.21 5tim h SER 192 Cb -0.02 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 5tim h SER 192 CO -0.05 0.34 0.31 -0.25 -1.14 0.00 0.00 176.83 176.04 5tim h TRP 193 N 0.58 0.89 0.03 3.45 7.01 -0.94 -2.18 115.95 124.78 5tim h TRP 193 Ca 0.18 -0.04 -0.00 0.00 2.11 0.00 0.00 58.89 61.14 5tim h TRP 193 Cb -0.02 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 26.77 5tim h TRP 193 CO -0.06 0.66 -0.01 0.28 -2.79 0.00 0.00 178.44 176.52 5tim h VAL 194 N 0.85 1.08 -0.70 2.65 2.07 -1.10 -0.92 116.25 120.17 5tim h VAL 194 Ca 0.21 -0.33 0.15 0.00 0.82 0.00 0.00 66.70 67.56 5tim h VAL 194 Cb 0.10 1.29 -0.10 0.00 -1.52 0.00 0.00 31.29 31.06 5tim h VAL 194 CO -0.03 0.08 0.17 -1.28 0.02 0.00 0.00 177.57 176.53 5tim h SER 195 N -0.18 0.02 -0.01 0.57 0.87 -0.62 0.15 113.55 114.36 5tim h SER 195 Ca -0.00 0.14 -0.08 0.00 -1.23 0.00 0.00 61.79 60.61 5tim h SER 195 Cb 0.17 0.18 0.01 0.00 -0.44 0.00 0.00 62.40 62.31 5tim h SER 195 CO 0.01 -0.02 -0.30 -1.28 -0.53 0.00 0.00 176.83 174.71 5tim h SER 196 N 0.28 0.27 0.37 6.23 0.87 -1.30 -2.42 113.55 117.86 5tim h SER 196 Ca 0.39 -0.77 -0.32 0.00 -1.23 0.00 0.00 61.79 59.86 5tim h SER 196 Cb 0.64 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 5tim h SER 196 CO -0.48 1.00 -1.60 0.11 -0.53 0.00 0.00 176.83 175.33 5tim h LYS 197 N -0.43 0.29 0.00 2.24 1.79 -1.01 -3.41 116.57 116.04 5tim h LYS 197 Ca -0.04 -0.49 -0.25 0.00 -2.18 0.00 0.00 60.65 57.69 5tim h LYS 197 Cb 1.04 0.18 -0.04 0.00 -1.58 0.00 0.00 32.23 31.84 5tim h LYS 197 CO 0.06 1.16 -1.75 -0.89 -1.08 0.00 0.00 179.45 176.95 5tim n ILE 198 N -3.48 1.31 0.00 1.86 2.08 0.33 -5.07 119.36 116.38 5tim n ILE 198 Ca -0.19 -0.14 0.00 0.00 0.56 0.00 0.00 62.75 62.98 5tim n ILE 198 Cb 1.05 -1.95 0.00 0.00 -0.75 0.00 0.00 39.64 38.00 5tim n ILE 198 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 5tim n GLY 199 N 1.68 3.59 0.18 7.39 0.00 -0.04 -4.92 105.19 113.07 5tim n GLY 199 Ca -0.33 -1.17 -0.11 0.00 0.00 0.00 0.00 46.02 44.41 5tim n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 5tim h ALA 200 N 0.00 0.56 -0.12 4.61 0.00 -1.78 -1.68 119.26 120.85 5tim h ALA 200 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 5tim h ALA 200 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 5tim h ALA 200 CO 0.00 0.76 0.07 0.38 0.00 0.00 0.00 179.25 180.46 5tim h ASP 201 N 0.29 0.11 -0.07 0.00 2.03 -1.93 0.10 116.42 116.95 5tim h ASP 201 Ca -0.04 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.26 5tim h ASP 201 Cb 1.33 -0.02 -0.00 0.00 -0.83 0.00 0.00 39.33 39.81 5tim h ASP 201 CO 0.13 0.08 0.01 0.58 -1.03 0.00 0.00 179.24 179.01 5tim h VAL 202 N 0.14 1.22 -0.98 4.15 2.07 -1.91 -2.68 116.25 118.25 5tim h VAL 202 Ca 0.05 -0.67 0.15 0.00 0.82 0.00 0.00 66.70 67.05 5tim h VAL 202 Cb -0.00 1.54 -0.10 0.00 -1.52 0.00 0.00 31.29 31.21 5tim h VAL 202 CO -0.02 0.19 0.60 0.00 0.02 0.00 0.00 177.57 178.35 5tim h ALA 203 N 0.77 1.55 0.00 1.67 0.00 -1.18 0.06 119.26 122.13 5tim h ALA 203 Ca 0.02 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 5tim h ALA 203 Cb 0.29 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 5tim h ALA 203 CO 0.00 0.06 -0.33 0.78 0.00 0.00 0.00 179.25 179.76 5tim h GLY 204 N 0.84 0.00 0.78 0.00 0.00 -0.73 -2.73 103.07 101.22 5tim h GLY 204 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.86 5tim h GLY 204 CO -0.33 0.00 -1.06 1.18 0.00 0.00 0.00 176.54 176.33 5tim n GLU 205 N -4.10 0.45 -1.90 4.80 1.02 -0.16 -4.48 120.64 116.27 5tim n GLU 205 Ca -0.02 0.04 -0.42 0.00 -0.02 0.00 0.00 57.16 56.74 5tim n GLU 205 Cb 0.38 -1.69 -0.03 0.00 -0.02 0.00 0.00 31.44 30.08 5tim n GLU 205 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 5tim s LEU 206 N -4.59 4.37 -0.16 -4.62 2.96 -0.25 -4.84 118.68 111.55 5tim s LEU 206 Ca 0.01 2.62 -0.21 0.00 -0.22 0.00 0.00 54.13 56.34 5tim s LEU 206 Cb 0.12 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.20 5tim s LEU 206 CO 0.80 -0.86 0.60 -0.13 -1.32 0.00 0.00 176.35 175.44 5tim s ARG 207 N 1.50 4.27 -0.29 1.98 3.00 -1.26 -4.89 118.95 123.26 5tim s ARG 207 Ca 0.72 0.61 -0.02 0.00 0.00 0.00 0.00 55.73 57.03 5tim s ARG 207 Cb -0.44 -3.53 0.04 0.00 0.00 0.00 0.00 34.95 31.02 5tim s ARG 207 CO 0.32 -0.11 -0.01 0.42 0.00 0.00 0.00 175.30 175.92 5tim s ILE 208 N 1.47 3.07 0.16 1.52 1.01 -1.26 -1.59 121.20 125.58 5tim s ILE 208 Ca 0.29 -1.23 -0.05 0.00 0.00 0.00 0.00 60.65 59.66 5tim s ILE 208 Cb -0.16 -2.70 -0.06 0.00 0.01 0.00 0.00 42.46 39.56 5tim s ILE 208 CO 0.12 -0.02 0.41 -0.76 0.00 0.00 0.00 174.94 174.68 5tim s LEU 209 N 1.30 4.24 -0.21 2.97 1.43 0.36 -1.41 118.68 127.36 5tim s LEU 209 Ca -0.03 0.63 -0.16 0.00 -1.03 0.00 0.00 54.13 53.54 5tim s LEU 209 Cb -0.19 -3.36 -0.04 0.00 0.03 0.00 0.00 46.19 42.63 5tim s LEU 209 CO -0.01 0.02 0.40 -0.47 0.23 0.00 0.00 176.35 176.52 5tim s TYR 210 N -1.70 3.35 -0.33 0.29 5.04 0.07 -0.69 117.35 123.37 5tim s TYR 210 Ca 0.42 0.59 0.15 0.00 -2.44 0.00 0.00 57.07 55.79 5tim s TYR 210 Cb -0.12 -2.54 0.48 0.00 0.35 0.00 0.00 41.96 40.13 5tim s TYR 210 CO 0.25 -0.05 1.38 0.41 -1.34 0.00 0.00 175.55 176.19 5tim n GLY 211 N 4.04 3.78 0.00 8.97 0.00 0.20 -1.35 105.19 120.83 5tim n GLY 211 Ca -0.08 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.04 5tim n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5tim n GLY 212 N -0.31 0.10 3.64 -0.02 0.00 -1.26 -4.64 105.19 102.69 5tim n GLY 212 Ca 0.19 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.03 5tim n GLY 212 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 5tim s SER 213 N -1.00 6.85 -0.06 1.61 0.01 -1.26 -4.74 113.70 115.12 5tim s SER 213 Ca 0.00 0.98 0.01 0.00 1.31 0.00 0.00 55.95 58.25 5tim s SER 213 Cb 0.00 -2.47 0.02 0.00 0.21 0.00 0.00 66.02 63.77 5tim s SER 213 CO 0.00 -0.67 -0.07 0.54 0.41 0.00 0.00 173.24 173.45 5tim s VAL 214 N 3.16 0.78 0.29 3.43 0.11 -1.26 -5.01 120.40 121.90 5tim s VAL 214 Ca 0.39 -0.24 0.02 0.00 -2.93 0.00 0.00 61.98 59.22 5tim s VAL 214 Cb -0.14 -0.77 -0.05 0.00 -1.53 0.00 0.00 36.38 33.89 5tim s VAL 214 CO 0.11 0.29 0.10 0.54 -3.33 0.00 0.00 175.10 172.80 5tim s ASN 215 N 1.00 1.62 0.38 3.54 2.20 -1.26 -4.54 114.94 117.88 5tim s ASN 215 Ca -0.09 -1.43 0.16 0.00 -0.94 0.00 0.00 52.86 50.56 5tim s ASN 215 Cb -0.14 0.16 1.04 0.00 -2.00 0.00 0.00 41.25 40.30 5tim s ASN 215 CO -0.00 -0.74 1.76 1.23 -2.94 0.00 0.00 177.10 176.42 5tim h GLY 216 N 2.26 1.38 1.00 0.45 0.00 -1.93 -2.32 103.07 103.90 5tim h GLY 216 Ca -0.38 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 5tim h GLY 216 CO 0.61 -0.15 0.35 0.50 0.00 0.00 0.00 176.54 177.85 5tim h LYS 217 N 0.45 0.90 -0.01 4.80 6.56 -1.95 -3.30 116.57 124.02 5tim h LYS 217 Ca 0.60 -0.11 0.00 0.00 -1.06 0.00 0.00 60.65 60.09 5tim h LYS 217 Cb 1.41 -0.18 0.00 0.00 -0.57 0.00 0.00 32.23 32.89 5tim h LYS 217 CO -0.34 0.68 -0.20 0.27 -2.06 0.00 0.00 179.45 177.81 5tim n ASN 218 N -4.54 1.17 -0.03 0.86 6.94 -1.12 -4.69 115.26 113.85 5tim n ASN 218 Ca 0.05 -1.08 -0.10 0.00 -0.02 0.00 0.00 54.58 53.43 5tim n ASN 218 Cb 0.09 0.47 -0.03 0.00 -2.36 0.00 0.00 39.78 37.95 5tim n ASN 218 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 5tim h ALA 219 N 1.63 -0.28 -0.50 -2.53 0.00 -1.50 -0.26 119.26 115.83 5tim h ALA 219 Ca 0.00 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.04 5tim h ALA 219 Cb 0.32 0.59 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 5tim h ALA 219 CO 0.00 -0.75 0.11 0.00 0.00 0.00 0.00 179.25 178.61 5tim h ARG 220 N -0.34 0.24 -0.68 0.00 3.08 -1.80 0.78 114.38 115.67 5tim h ARG 220 Ca 0.12 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 5tim h ARG 220 Cb 0.52 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 5tim h ARG 220 CO -0.38 0.16 0.22 1.79 -1.07 0.00 0.00 179.97 180.69 5tim h THR 221 N 0.25 1.25 -0.18 2.04 1.35 -1.80 -1.63 112.91 114.19 5tim h THR 221 Ca 0.25 -0.86 -0.03 0.00 -0.55 0.00 0.00 66.41 65.22 5tim h THR 221 Cb 0.33 0.53 -0.01 0.00 -1.73 0.00 0.00 68.15 67.28 5tim h THR 221 CO -0.32 0.33 0.01 -0.07 -0.25 0.00 0.00 175.52 175.22 5tim h LEU 222 N 0.99 0.31 -2.20 3.87 3.38 0.34 -3.03 115.31 118.97 5tim h LEU 222 Ca 0.22 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.92 5tim h LEU 222 Cb 0.29 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 5tim h LEU 222 CO -0.01 0.53 0.09 0.22 0.09 0.00 0.00 178.44 179.37 5tim h TYR 223 N 0.08 0.00 -0.69 1.13 3.20 0.92 -2.27 116.97 119.35 5tim h TYR 223 Ca 0.05 0.00 0.20 0.00 3.14 0.00 0.00 58.73 62.12 5tim h TYR 223 Cb 0.37 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 5tim h TYR 223 CO 0.03 0.00 0.49 1.96 -1.64 0.00 0.00 178.16 179.00 5tim h GLN 224 N 0.00 0.01 -6.69 1.82 4.20 -1.17 -3.43 115.11 109.84 5tim h GLN 224 Ca 0.05 -0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.23 5tim h GLN 224 Cb 0.23 -0.00 0.04 0.00 0.30 0.00 0.00 27.48 28.05 5tim h GLN 224 CO -0.00 0.00 0.68 -0.65 -0.67 0.00 0.00 178.83 178.19 5tim s GLN 225 N -5.00 4.36 0.22 1.46 -1.52 -0.86 -4.97 119.66 113.35 5tim s GLN 225 Ca -0.05 2.11 -0.18 0.00 -1.95 0.00 0.00 55.36 55.29 5tim s GLN 225 Cb 0.20 -3.17 0.21 0.00 -0.22 0.00 0.00 33.01 30.02 5tim s GLN 225 CO 0.75 -0.30 1.50 -2.13 -0.25 0.00 0.00 175.29 174.86 5tim n ARG 226 N 2.59 -0.24 -0.66 2.91 0.63 -1.26 -2.65 116.66 117.97 5tim n ARG 226 Ca 0.06 1.49 0.09 0.00 -0.92 0.00 0.00 57.85 58.57 5tim n ARG 226 Cb 0.42 -2.20 0.36 0.00 0.45 0.00 0.00 32.46 31.49 5tim n ARG 226 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 5tim n ASP 227 N -5.40 4.92 -4.57 6.15 8.00 -1.26 -4.89 116.55 119.50 5tim n ASP 227 Ca 0.09 -2.57 -0.40 0.00 0.71 0.00 0.00 54.79 52.63 5tim n ASP 227 Cb 0.37 -0.60 -0.10 0.00 -0.02 0.00 0.00 41.12 40.78 5tim n ASP 227 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 5tim s VAL 228 N -2.07 5.23 -0.58 2.53 1.01 -1.08 -4.60 120.40 120.83 5tim s VAL 228 Ca 0.51 0.14 0.16 0.00 0.00 0.00 0.00 61.98 62.79 5tim s VAL 228 Cb 0.35 -3.70 0.60 0.00 0.00 0.00 0.00 36.38 33.63 5tim s VAL 228 CO 0.22 0.07 1.52 0.59 0.00 0.00 0.00 175.10 177.49 5tim n ASN 229 N 5.24 4.32 0.00 3.32 4.13 -0.50 -4.88 115.26 126.89 5tim n ASN 229 Ca -0.11 -2.67 0.00 0.00 1.68 0.00 0.00 54.58 53.48 5tim n ASN 229 Cb 0.50 -0.53 0.00 0.00 -1.54 0.00 0.00 39.78 38.22 5tim n ASN 229 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 5tim n GLY 230 N 0.33 0.73 3.05 7.41 0.00 -1.26 -2.01 105.19 113.44 5tim n GLY 230 Ca 0.22 -2.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.05 5tim n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 5tim s PHE 231 N -1.21 0.62 -0.46 1.61 0.08 -0.55 -0.75 117.98 117.32 5tim s PHE 231 Ca 0.00 -0.47 -0.10 0.00 0.12 0.00 0.00 56.93 56.48 5tim s PHE 231 Cb 0.00 -0.38 0.10 0.00 -0.57 0.00 0.00 43.02 42.17 5tim s PHE 231 CO 0.00 -0.09 0.33 -1.17 -0.10 0.00 0.00 175.22 174.19 5tim s LEU 232 N -1.46 5.51 -0.11 -0.37 2.96 -0.46 0.20 118.68 124.95 5tim s LEU 232 Ca -0.09 -1.67 -0.14 0.00 -0.22 0.00 0.00 54.13 52.01 5tim s LEU 232 Cb -0.09 -2.04 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 5tim s LEU 232 CO 0.00 -0.64 0.32 -0.69 -1.32 0.00 0.00 176.35 174.03 5tim s VAL 233 N 1.44 5.25 0.00 1.68 1.01 0.31 -4.38 120.40 125.71 5tim s VAL 233 Ca 0.04 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.65 5tim s VAL 233 Cb -0.25 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.48 5tim s VAL 233 CO 0.02 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.18 5tim n GLY 234 N 2.84 1.07 0.24 4.51 0.00 -1.26 -0.26 105.19 112.33 5tim n GLY 234 Ca -0.13 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.90 5tim n GLY 234 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 5tim h GLY 235 N 0.00 0.85 2.00 -0.02 0.00 -1.92 -0.98 103.07 102.99 5tim h GLY 235 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 5tim h GLY 235 CO 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 176.54 176.48 5tim h ALA 236 N 1.45 1.00 0.00 3.60 0.00 -1.89 -1.91 119.26 121.51 5tim h ALA 236 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 5tim h ALA 236 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 5tim h ALA 236 CO -0.34 0.00 0.00 0.66 0.00 0.00 0.00 179.25 179.57 5tim h SER 237 N 0.00 0.00 0.49 0.00 4.64 -1.40 -2.42 113.55 114.86 5tim h SER 237 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 5tim h SER 237 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 5tim h SER 237 CO 0.00 0.00 -0.14 0.18 -0.87 0.00 0.00 176.83 176.00 5tim n LEU 238 N -2.79 0.38 -4.70 5.97 7.99 -0.72 -4.87 117.00 118.26 5tim n LEU 238 Ca 0.02 0.10 -0.26 0.00 -0.01 0.00 0.00 56.01 55.86 5tim n LEU 238 Cb 0.33 -0.25 -0.07 0.00 -0.11 0.00 0.00 43.42 43.32 5tim n LEU 238 CO 0.26 0.07 -0.30 -0.54 -1.51 0.00 0.00 177.39 175.38 5tim s LYS 239 N -2.63 2.54 0.59 3.23 1.02 -0.91 -5.00 119.74 118.58 5tim s LYS 239 Ca 0.24 -1.06 0.29 0.00 0.02 0.00 0.00 55.97 55.46 5tim s LYS 239 Cb 0.20 -2.43 1.54 0.00 -0.52 0.00 0.00 37.83 36.62 5tim s LYS 239 CO 0.51 0.46 1.97 -1.35 -0.92 0.00 0.00 175.35 176.02 5tim h PRO 240 N 2.56 0.00 0.00 -1.68 0.11 -1.90 -0.25 132.00 130.83 5tim h PRO 240 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 5tim h PRO 240 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 5tim h PRO 240 CO 0.60 0.00 0.03 1.49 -0.21 0.00 0.00 178.00 179.91 5tim h GLU 241 N 0.00 0.00 -0.14 1.05 4.81 -1.95 -2.29 114.58 116.06 5tim h GLU 241 Ca 0.17 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.43 5tim h GLU 241 Cb 0.92 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 5tim h GLU 241 CO -0.00 0.00 0.10 0.35 -0.73 0.00 0.00 179.01 178.73 5tim h PHE 242 N 0.00 0.05 0.00 0.92 3.57 -1.09 -0.87 116.94 119.52 5tim h PHE 242 Ca 0.00 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.45 5tim h PHE 242 Cb 0.07 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 5tim h PHE 242 CO 0.00 0.03 -0.24 0.28 -2.23 0.00 0.00 178.31 176.15 5tim h VAL 243 N 0.05 0.60 -0.00 1.41 2.07 -1.64 -1.35 116.25 117.39 5tim h VAL 243 Ca 0.07 -1.14 -0.21 0.00 0.82 0.00 0.00 66.70 66.23 5tim h VAL 243 Cb 0.20 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 5tim h VAL 243 CO -0.01 0.24 -0.89 0.44 0.02 0.00 0.00 177.57 177.37 5tim h ASP 244 N 0.00 0.38 -0.46 0.57 3.32 -1.36 -2.67 116.42 116.20 5tim h ASP 244 Ca -0.00 -0.30 -0.06 0.00 0.02 0.00 0.00 57.03 56.68 5tim h ASP 244 Cb 0.75 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.16 5tim h ASP 244 CO 0.03 1.10 0.04 0.40 -1.72 0.00 0.00 179.24 179.09 5tim h ILE 245 N 0.17 1.26 -0.01 0.35 2.04 -0.95 -1.77 117.51 118.60 5tim h ILE 245 Ca -0.06 -0.98 0.03 0.00 1.00 0.00 0.00 64.86 64.84 5tim h ILE 245 Cb 1.52 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 38.55 5tim h ILE 245 CO 0.15 0.34 -0.15 0.40 0.00 0.00 0.00 178.15 178.89 5tim h ILE 246 N 0.65 0.63 -0.93 -0.67 2.04 -1.27 -2.40 117.51 115.56 5tim h ILE 246 Ca 0.14 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.18 5tim h ILE 246 Cb 0.45 0.63 -0.08 0.00 -0.74 0.00 0.00 36.82 37.08 5tim h ILE 246 CO 0.02 0.00 0.60 0.11 0.00 0.00 0.00 178.15 178.87 5tim h LYS 247 N -0.24 0.56 0.00 2.37 1.57 -1.41 -1.79 116.57 117.62 5tim h LYS 247 Ca 0.05 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 5tim h LYS 247 Cb 0.31 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.50 5tim h LYS 247 CO -0.15 0.37 0.00 0.00 -0.57 0.00 0.00 179.45 179.10 5tim n ALA 248 N -2.45 1.17 1.19 3.86 0.00 -0.67 -2.06 120.51 121.56 5tim n ALA 248 Ca 0.20 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.75 5tim n ALA 248 Cb 0.60 -1.05 0.26 0.00 0.00 0.00 0.00 19.45 19.27 5tim n ALA 248 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 5tim n THR 249 N -1.45 0.00 0.25 0.00 -2.24 -0.67 -4.57 114.28 105.60 5tim n THR 249 Ca 0.01 -0.22 0.02 0.00 -2.27 0.00 0.00 64.05 61.59 5tim n THR 249 Cb 0.03 0.78 0.12 0.00 -2.10 0.00 0.00 70.33 69.16 5tim n THR 249 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50