#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4tim s LYS 3 N 0.00 1.23 1.03 1.43 1.02 -1.26 -5.13 119.74 118.07 4tim s LYS 3 Ca 0.00 -1.44 -0.16 0.00 0.02 0.00 0.00 55.97 54.39 4tim s LYS 3 Cb 0.00 -1.13 0.21 0.00 -0.52 0.00 0.00 37.83 36.39 4tim s LYS 3 CO 0.00 0.21 1.19 -1.25 -0.92 0.00 0.00 175.35 174.58 4tim s PRO 4 N -3.13 0.13 0.11 -1.68 0.04 -1.26 -4.96 135.00 124.24 4tim s PRO 4 Ca 0.17 -0.08 -0.35 0.00 0.04 0.00 0.00 61.00 60.77 4tim s PRO 4 Cb -0.03 -1.76 -0.15 0.00 0.04 0.00 0.00 34.50 32.60 4tim s PRO 4 CO 0.06 -2.81 1.48 0.94 0.04 0.00 0.00 177.00 176.71 4tim n GLN 5 N -4.12 1.67 -1.69 4.56 7.27 -1.26 -4.96 117.38 118.84 4tim n GLN 5 Ca 0.12 0.60 -0.29 0.00 0.07 0.00 0.00 57.00 57.50 4tim n GLN 5 Cb 0.59 -2.31 0.09 0.00 2.41 0.00 0.00 30.24 31.02 4tim n GLN 5 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 4tim s PRO 6 N 0.89 2.00 -0.04 3.69 0.04 -1.25 -4.88 135.00 135.46 4tim s PRO 6 Ca 0.82 0.41 0.01 0.00 0.04 0.00 0.00 61.00 62.28 4tim s PRO 6 Cb -0.82 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 31.82 4tim s PRO 6 CO 0.43 -1.63 -0.02 0.42 0.04 0.00 0.00 177.00 176.24 4tim s ILE 7 N -3.32 0.35 -0.29 0.56 1.01 -1.11 -0.57 121.20 117.84 4tim s ILE 7 Ca 0.61 -0.02 0.02 0.00 0.00 0.00 0.00 60.65 61.26 4tim s ILE 7 Cb -0.13 -0.42 0.07 0.00 0.01 0.00 0.00 42.46 41.99 4tim s ILE 7 CO 0.52 0.18 -0.03 0.00 0.00 0.00 0.00 174.94 175.61 4tim s ALA 8 N 0.98 2.73 -0.15 9.38 0.00 -0.21 -1.28 121.76 133.20 4tim s ALA 8 Ca -0.10 -1.96 -0.03 0.00 0.00 0.00 0.00 51.96 49.86 4tim s ALA 8 Cb -0.14 -1.79 -0.03 0.00 0.00 0.00 0.00 23.12 21.16 4tim s ALA 8 CO -0.01 -1.35 -0.04 0.00 0.00 0.00 0.00 175.76 174.36 4tim s ALA 9 N 1.10 2.97 -0.37 0.00 0.00 -0.01 -0.56 121.76 124.89 4tim s ALA 9 Ca -0.03 -0.83 -0.13 0.00 0.00 0.00 0.00 51.96 50.96 4tim s ALA 9 Cb -0.20 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.39 4tim s ALA 9 CO -0.05 0.20 0.26 0.00 0.00 0.00 0.00 175.76 176.18 4tim s ALA 10 N 0.38 3.46 -0.64 0.00 0.00 0.18 0.91 121.76 126.05 4tim s ALA 10 Ca -0.05 -1.56 -0.13 0.00 0.00 0.00 0.00 51.96 50.23 4tim s ALA 10 Cb -0.14 -2.74 0.16 0.00 0.00 0.00 0.00 23.12 20.40 4tim s ALA 10 CO 0.03 -1.21 0.56 1.21 0.00 0.00 0.00 175.76 176.35 4tim s ASN 11 N 1.68 6.22 0.60 0.00 2.47 0.09 0.25 114.94 126.25 4tim s ASN 11 Ca 0.05 -2.24 0.38 0.00 0.42 0.00 0.00 52.86 51.47 4tim s ASN 11 Cb -0.18 -2.14 1.82 0.00 -1.45 0.00 0.00 41.25 39.30 4tim s ASN 11 CO 0.10 -0.68 2.15 -0.50 -3.72 0.00 0.00 177.10 174.45 4tim h TRP 12 N 8.23 0.00 0.00 0.43 6.55 -1.58 -3.40 115.95 126.18 4tim h TRP 12 Ca -0.11 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.73 4tim h TRP 12 Cb 1.06 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.36 4tim h TRP 12 CO 0.82 0.00 0.00 1.63 -1.05 0.00 0.00 178.44 179.84 4tim n LYS 13 N -3.09 0.00 -2.98 0.49 5.02 -1.26 -3.47 118.16 112.87 4tim n LYS 13 Ca -0.01 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.86 4tim n LYS 13 Cb 0.21 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.22 4tim n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 4tim s ASN 15 N -1.81 0.18 0.00 0.00 0.01 -1.23 -5.14 114.94 106.94 4tim s ASN 15 Ca 0.33 -0.89 0.00 0.00 -0.71 0.00 0.00 52.86 51.59 4tim s ASN 15 Cb 0.07 0.35 0.00 0.00 0.41 0.00 0.00 41.25 42.08 4tim s ASN 15 CO 0.07 -0.77 0.00 0.61 -1.51 0.00 0.00 177.10 175.50 4tim n GLY 16 N -0.10 2.83 3.04 0.66 0.00 -1.26 -4.73 105.19 105.62 4tim n GLY 16 Ca -0.10 -1.87 -0.13 0.00 0.00 0.00 0.00 46.02 43.92 4tim n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 4tim s SER 17 N 0.00 0.78 0.31 1.61 1.04 -1.26 -5.01 113.70 111.18 4tim s SER 17 Ca 0.00 -0.47 0.05 0.00 0.48 0.00 0.00 55.95 56.00 4tim s SER 17 Cb 0.00 0.02 0.84 0.00 0.10 0.00 0.00 66.02 66.98 4tim s SER 17 CO 0.00 -0.17 1.58 1.56 0.98 0.00 0.00 173.24 177.20 4tim h GLN 18 N 4.75 0.03 0.13 4.02 4.20 -1.98 0.71 115.11 126.96 4tim h GLN 18 Ca -0.34 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.36 4tim h GLN 18 Cb 1.20 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.97 4tim h GLN 18 CO 0.42 0.02 -0.07 1.96 -0.67 0.00 0.00 178.83 180.49 4tim h GLN 19 N 0.03 -0.17 -0.99 1.46 1.08 -1.99 -0.89 115.11 113.64 4tim h GLN 19 Ca 0.63 0.01 0.14 0.00 -1.45 0.00 0.00 58.65 57.98 4tim h GLN 19 Cb 1.37 0.04 -0.09 0.00 -0.05 0.00 0.00 27.48 28.75 4tim h GLN 19 CO -0.86 -0.12 0.62 0.66 -0.95 0.00 0.00 178.83 178.18 4tim h SER 20 N -0.18 0.86 -0.35 1.46 4.64 -1.89 -0.87 113.55 117.21 4tim h SER 20 Ca -0.02 0.05 -0.07 0.00 -0.47 0.00 0.00 61.79 61.29 4tim h SER 20 Cb 0.14 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 4tim h SER 20 CO 0.02 0.43 -0.06 -0.07 -0.87 0.00 0.00 176.83 176.28 4tim h LEU 21 N 0.90 0.66 -1.81 5.97 3.38 -0.80 -2.20 115.31 121.41 4tim h LEU 21 Ca 0.50 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 58.14 4tim h LEU 21 Cb 0.60 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 4tim h LEU 21 CO -0.27 0.85 0.16 0.28 0.09 0.00 0.00 178.44 179.55 4tim h SER 22 N 0.45 0.22 -0.09 -0.43 0.02 0.15 0.90 113.55 114.77 4tim h SER 22 Ca 0.09 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.99 4tim h SER 22 Cb 0.55 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 4tim h SER 22 CO 0.03 0.16 -0.13 -0.33 -1.14 0.00 0.00 176.83 175.41 4tim h GLU 23 N 0.26 0.25 -0.53 3.45 5.08 -0.99 -2.34 114.58 119.77 4tim h GLU 23 Ca 0.09 -0.15 0.04 0.00 -1.00 0.00 0.00 59.36 58.35 4tim h GLU 23 Cb 0.06 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 4tim h GLU 23 CO -0.02 0.71 0.28 -0.07 -1.00 0.00 0.00 179.01 178.91 4tim h LEU 24 N -0.18 0.41 -0.56 1.33 3.38 -0.57 -2.04 115.31 117.08 4tim h LEU 24 Ca 0.01 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.11 4tim h LEU 24 Cb 0.69 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.30 4tim h LEU 24 CO 0.03 0.28 0.11 0.40 0.09 0.00 0.00 178.44 179.35 4tim h ILE 25 N 0.54 0.67 -0.35 1.22 2.04 -0.83 0.41 117.51 121.21 4tim h ILE 25 Ca 0.23 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 66.04 4tim h ILE 25 Cb 0.12 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.58 4tim h ILE 25 CO -0.15 0.04 0.15 0.44 0.00 0.00 0.00 178.15 178.63 4tim h ASP 26 N 0.24 0.19 -0.72 1.72 3.32 -0.82 0.15 116.42 120.50 4tim h ASP 26 Ca 0.29 0.03 0.13 0.00 0.02 0.00 0.00 57.03 57.50 4tim h ASP 26 Cb 0.41 -0.00 -0.09 0.00 0.22 0.00 0.00 39.33 39.87 4tim h ASP 26 CO -0.38 0.15 0.26 0.25 -1.72 0.00 0.00 179.24 177.80 4tim h LEU 27 N 0.31 0.21 0.32 1.55 7.12 -0.75 -1.34 115.31 122.73 4tim h LEU 27 Ca 0.16 0.11 -0.02 0.00 0.13 0.00 0.00 57.88 58.26 4tim h LEU 27 Cb 0.10 0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.34 4tim h LEU 27 CO -0.14 0.08 -0.15 -0.26 -0.13 0.00 0.00 178.44 177.84 4tim h PHE 28 N 0.40 -0.39 -0.58 1.25 0.04 0.88 -1.41 116.94 117.11 4tim h PHE 28 Ca 0.39 -0.01 0.17 0.00 2.80 0.00 0.00 57.97 61.32 4tim h PHE 28 Cb 0.59 0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.84 4tim h PHE 28 CO -0.19 -0.11 0.46 -0.91 -0.60 0.00 0.00 178.31 176.96 4tim h ASN 29 N -0.64 0.00 0.79 2.17 2.35 0.11 0.41 115.58 120.77 4tim h ASN 29 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 4tim h ASN 29 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.83 4tim h ASN 29 CO 0.07 0.00 -0.22 -1.20 -1.65 0.00 0.00 177.43 174.43 4tim n SER 30 N -4.15 0.23 -4.73 5.81 7.64 -0.56 -4.78 113.62 113.07 4tim n SER 30 Ca 0.11 0.18 -0.41 0.00 1.01 0.00 0.00 58.87 59.75 4tim n SER 30 Cb 0.69 -0.18 -0.03 0.00 -1.01 0.00 0.00 64.21 63.69 4tim n SER 30 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 4tim s THR 31 N -3.00 3.56 -0.38 0.44 2.01 0.15 -5.00 115.64 113.41 4tim s THR 31 Ca 0.13 1.28 -0.13 0.00 0.31 0.00 0.00 61.69 63.28 4tim s THR 31 Cb 0.18 -3.82 0.02 0.00 0.01 0.00 0.00 72.50 68.89 4tim s THR 31 CO 0.61 0.19 0.25 -0.55 -0.69 0.00 0.00 174.62 174.43 4tim s SER 32 N 0.28 5.94 -0.16 3.53 0.15 -1.26 -5.03 113.70 117.15 4tim s SER 32 Ca 0.54 -0.86 0.00 0.00 0.70 0.00 0.00 55.95 56.33 4tim s SER 32 Cb -0.33 -2.10 0.03 0.00 -1.71 0.00 0.00 66.02 61.91 4tim s SER 32 CO 0.36 -0.39 -0.14 -0.63 1.20 0.00 0.00 173.24 173.64 4tim s ILE 33 N 1.64 1.59 -0.45 6.45 1.01 -1.26 -5.01 121.20 125.16 4tim s ILE 33 Ca 0.04 -0.70 0.20 0.00 0.00 0.00 0.00 60.65 60.20 4tim s ILE 33 Cb -0.19 -1.52 -0.27 0.00 0.01 0.00 0.00 42.46 40.49 4tim s ILE 33 CO 0.09 0.41 0.64 0.59 0.00 0.00 0.00 174.94 176.67 4tim n ASN 34 N 4.76 0.58 -4.76 3.58 4.13 -1.26 -4.99 115.26 117.30 4tim n ASN 34 Ca -0.17 -0.45 -0.24 0.00 1.68 0.00 0.00 54.58 55.41 4tim n ASN 34 Cb 0.49 1.51 0.09 0.00 -1.54 0.00 0.00 39.78 40.34 4tim n ASN 34 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 4tim s HIS 35 N -3.19 2.16 -0.60 3.10 -3.43 -1.26 -5.01 115.29 107.06 4tim s HIS 35 Ca -0.01 -0.02 -0.23 0.00 -0.80 0.00 0.00 55.06 54.00 4tim s HIS 35 Cb 0.14 -3.06 0.05 0.00 -1.43 0.00 0.00 32.58 28.28 4tim s HIS 35 CO 0.84 -1.52 0.94 0.34 -2.00 0.00 0.00 174.74 173.35 4tim s ASP 36 N -4.63 6.25 -0.01 7.38 2.15 -1.26 -4.98 116.67 121.57 4tim s ASP 36 Ca 0.63 -0.68 -0.00 0.00 0.43 0.00 0.00 52.55 52.93 4tim s ASP 36 Cb -0.07 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.12 4tim s ASP 36 CO 0.44 -1.32 0.01 0.54 -0.17 0.00 0.00 175.17 174.66 4tim s VAL 37 N 3.98 -0.00 -0.27 1.11 0.11 -1.26 -3.96 120.40 120.10 4tim s VAL 37 Ca 0.26 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.19 4tim s VAL 37 Cb -0.15 -0.03 -0.05 0.00 -1.53 0.00 0.00 36.38 34.63 4tim s VAL 37 CO 0.14 0.00 0.21 -1.58 -3.33 0.00 0.00 175.10 170.55 4tim s GLN 38 N 0.01 3.98 -0.12 1.54 2.00 0.26 -4.91 119.66 122.42 4tim s GLN 38 Ca -0.00 -0.26 -0.05 0.00 -2.00 0.00 0.00 55.36 53.05 4tim s GLN 38 Cb -0.00 -3.64 -0.04 0.00 0.80 0.00 0.00 33.01 30.13 4tim s GLN 38 CO 0.00 -0.16 0.07 0.00 -0.50 0.00 0.00 175.29 174.71 4tim s VAL 40 N -0.62 0.97 -0.20 0.00 1.01 0.28 -0.79 120.40 121.06 4tim s VAL 40 Ca 0.11 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.64 4tim s VAL 40 Cb -0.12 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.42 4tim s VAL 40 CO 0.02 0.30 -0.16 -0.69 0.00 0.00 0.00 175.10 174.57 4tim s VAL 41 N 0.22 2.31 -0.42 2.92 1.01 -0.21 0.49 120.40 126.72 4tim s VAL 41 Ca -0.05 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 60.95 4tim s VAL 41 Cb -0.10 -2.03 0.11 0.00 0.00 0.00 0.00 36.38 34.36 4tim s VAL 41 CO 0.01 0.46 0.23 0.00 0.00 0.00 0.00 175.10 175.81 4tim s ALA 42 N 1.31 3.21 0.52 5.51 0.00 0.14 -0.07 121.76 132.37 4tim s ALA 42 Ca 0.04 -2.47 0.09 0.00 0.00 0.00 0.00 51.96 49.61 4tim s ALA 42 Cb -0.14 -2.51 0.05 0.00 0.00 0.00 0.00 23.12 20.52 4tim s ALA 42 CO -0.10 -1.79 0.65 -1.54 0.00 0.00 0.00 175.76 172.98 4tim s SER 43 N 2.03 5.17 0.85 0.00 1.04 -1.17 -1.77 113.70 119.86 4tim s SER 43 Ca 0.07 -0.79 -0.11 0.00 0.48 0.00 0.00 55.95 55.60 4tim s SER 43 Cb -0.24 0.01 0.11 0.00 0.10 0.00 0.00 66.02 66.01 4tim s SER 43 CO -0.03 -1.11 1.14 0.42 0.98 0.00 0.00 173.24 174.64 4tim s THR 44 N -2.59 2.39 0.46 2.02 -4.23 -1.26 -4.18 115.64 108.24 4tim s THR 44 Ca 0.55 0.13 0.11 0.00 -1.18 0.00 0.00 61.69 61.31 4tim s THR 44 Cb -0.06 -2.34 0.27 0.00 1.34 0.00 0.00 72.50 71.71 4tim s THR 44 CO 0.34 -0.15 2.10 -0.26 -0.54 0.00 0.00 174.62 176.11 4tim h PHE 45 N -1.46 0.30 -0.60 3.99 0.04 -1.97 -2.71 116.94 114.52 4tim h PHE 45 Ca -0.44 0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.24 4tim h PHE 45 Cb 1.26 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 39.29 4tim h PHE 45 CO 0.52 0.19 -0.00 0.28 -0.60 0.00 0.00 178.31 178.69 4tim h VAL 46 N 0.32 1.27 -0.00 -0.55 2.07 -2.03 -2.95 116.25 114.37 4tim h VAL 46 Ca 0.09 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.45 4tim h VAL 46 Cb -0.04 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 4tim h VAL 46 CO -0.02 0.42 -0.03 1.41 0.02 0.00 0.00 177.57 179.37 4tim n HIS 47 N -4.19 0.00 -0.25 1.57 8.25 -1.04 -4.31 115.22 115.25 4tim n HIS 47 Ca 0.03 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.50 4tim n HIS 47 Cb 0.35 -0.10 0.14 0.00 1.12 0.00 0.00 29.99 31.49 4tim n HIS 47 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 4tim h LEU 48 N 0.41 0.52 -0.28 2.41 3.38 -1.36 -1.39 115.31 119.00 4tim h LEU 48 Ca 0.00 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.93 4tim h LEU 48 Cb 0.20 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 4tim h LEU 48 CO 0.00 0.30 -0.19 0.00 0.09 0.00 0.00 178.44 178.64 4tim h ALA 49 N 1.42 0.40 -0.82 1.53 0.00 -1.82 0.11 119.26 120.08 4tim h ALA 49 Ca 0.35 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 4tim h ALA 49 Cb 0.33 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 4tim h ALA 49 CO -0.25 0.33 0.35 1.98 0.00 0.00 0.00 179.25 181.67 4tim h MET 50 N 0.36 1.20 -0.11 0.00 1.85 -1.83 -1.43 114.93 114.97 4tim h MET 50 Ca 0.05 -0.20 -0.15 0.00 -0.61 0.00 0.00 59.70 58.79 4tim h MET 50 Cb 0.73 -0.20 -0.01 0.00 0.43 0.00 0.00 31.60 32.55 4tim h MET 50 CO 0.05 0.95 -0.58 1.15 -0.40 0.00 0.00 176.91 178.09 4tim h THR 51 N 1.18 1.36 0.54 -0.77 2.02 -0.98 -0.10 112.91 116.16 4tim h THR 51 Ca 0.28 -1.89 -0.02 0.00 0.77 0.00 0.00 66.41 65.55 4tim h THR 51 Cb 0.18 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.48 4tim h THR 51 CO -0.03 0.57 -0.34 0.11 0.37 0.00 0.00 175.52 176.20 4tim h LYS 52 N 0.27 -0.81 -0.52 6.66 1.57 -0.74 -0.71 116.57 122.30 4tim h LYS 52 Ca -0.00 0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.75 4tim h LYS 52 Cb 1.09 0.18 -0.02 0.00 0.08 0.00 0.00 32.23 33.56 4tim h LYS 52 CO 0.10 -0.54 0.00 1.49 -0.57 0.00 0.00 179.45 179.93 4tim h GLU 53 N -0.84 0.88 0.00 3.15 4.22 -1.18 -3.25 114.58 117.56 4tim h GLU 53 Ca -0.06 -0.25 -0.04 0.00 0.08 0.00 0.00 59.36 59.08 4tim h GLU 53 Cb 0.69 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 4tim h GLU 53 CO 0.06 0.88 -1.19 -2.13 -2.18 0.00 0.00 179.01 174.45 4tim n ARG 54 N -4.20 0.61 -2.77 1.92 0.63 -0.06 -4.80 116.66 107.99 4tim n ARG 54 Ca 0.03 0.12 -0.42 0.00 -0.92 0.00 0.00 57.85 56.65 4tim n ARG 54 Cb 0.32 -1.80 -0.03 0.00 0.45 0.00 0.00 32.46 31.40 4tim n ARG 54 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 4tim s LEU 55 N -5.39 4.02 -0.01 6.15 1.43 -0.28 -4.84 118.68 119.75 4tim s LEU 55 Ca -0.02 0.92 0.09 0.00 -1.03 0.00 0.00 54.13 54.09 4tim s LEU 55 Cb 0.10 -3.34 -0.13 0.00 0.03 0.00 0.00 46.19 42.84 4tim s LEU 55 CO 0.80 -0.74 0.19 -1.54 0.23 0.00 0.00 176.35 175.29 4tim n SER 56 N 6.52 3.02 -4.67 2.29 3.41 -1.26 -4.93 113.62 118.01 4tim n SER 56 Ca 0.08 -0.00 -0.46 0.00 -0.26 0.00 0.00 58.87 58.24 4tim n SER 56 Cb 0.47 1.39 -0.04 0.00 -0.26 0.00 0.00 64.21 65.78 4tim n SER 56 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 4tim n HIS 57 N -1.80 2.29 0.29 7.33 -0.00 -1.26 -4.86 115.22 117.21 4tim n HIS 57 Ca -0.02 0.28 0.17 0.00 -0.00 0.00 0.00 57.72 58.15 4tim n HIS 57 Cb 0.22 -2.54 0.85 0.00 -0.00 0.00 0.00 29.99 28.52 4tim n HIS 57 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 4tim h PRO 58 N 5.79 0.00 -0.32 1.57 0.11 -1.96 -2.84 132.00 134.35 4tim h PRO 58 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 4tim h PRO 58 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 4tim h PRO 58 CO 0.88 0.05 0.00 1.63 -0.21 0.00 0.00 178.00 180.35 4tim n LYS 59 N -3.32 2.02 -5.11 1.05 5.02 -1.26 -4.89 118.16 111.67 4tim n LYS 59 Ca -0.01 -1.55 -0.32 0.00 -2.02 0.00 0.00 58.31 54.40 4tim n LYS 59 Cb 0.22 -1.41 -0.16 0.00 -0.02 0.00 0.00 35.03 33.66 4tim n LYS 59 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 4tim s PHE 60 N -1.58 2.59 0.37 2.13 0.40 -1.07 -0.51 117.98 120.30 4tim s PHE 60 Ca 0.33 -0.79 0.08 0.00 -0.60 0.00 0.00 56.93 55.96 4tim s PHE 60 Cb 0.18 -1.70 -0.05 0.00 0.51 0.00 0.00 43.02 41.96 4tim s PHE 60 CO 0.25 -0.26 0.07 0.14 0.70 0.00 0.00 175.22 176.12 4tim s VAL 61 N 0.10 2.52 0.06 -0.44 -7.23 0.03 -4.89 120.40 110.55 4tim s VAL 61 Ca -0.10 -1.88 0.02 0.00 -1.81 0.00 0.00 61.98 58.21 4tim s VAL 61 Cb -0.16 -2.88 -0.04 0.00 0.56 0.00 0.00 36.38 33.86 4tim s VAL 61 CO 0.06 -0.13 0.12 0.27 -0.31 0.00 0.00 175.10 175.11 4tim s ILE 62 N -2.55 4.82 0.11 -0.62 -4.36 -1.26 -1.05 121.20 116.29 4tim s ILE 62 Ca 0.37 -0.60 0.04 0.00 -0.26 0.00 0.00 60.65 60.20 4tim s ILE 62 Cb 0.02 -3.31 -0.04 0.00 1.25 0.00 0.00 42.46 40.38 4tim s ILE 62 CO 0.20 0.17 -0.11 0.00 0.24 0.00 0.00 174.94 175.44 4tim s ALA 63 N -1.39 1.27 0.51 2.27 0.00 0.89 -3.82 121.76 121.49 4tim s ALA 63 Ca 0.30 -1.26 -0.04 0.00 0.00 0.00 0.00 51.96 50.95 4tim s ALA 63 Cb -0.12 0.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 4tim s ALA 63 CO 0.22 -0.01 0.80 0.00 0.00 0.00 0.00 175.76 176.77 4tim s ALA 64 N -2.50 3.43 -2.36 0.00 0.00 -0.95 -3.02 121.76 116.37 4tim s ALA 64 Ca 0.08 -0.67 0.25 0.00 0.00 0.00 0.00 51.96 51.62 4tim s ALA 64 Cb -0.03 -2.51 0.45 0.00 0.00 0.00 0.00 23.12 21.04 4tim s ALA 64 CO 0.01 -0.49 1.39 1.04 0.00 0.00 0.00 175.76 177.71 4tim n GLN 65 N -2.32 1.56 0.00 0.00 6.02 -1.26 -1.12 117.38 120.26 4tim n GLN 65 Ca 0.02 -1.16 0.00 0.00 -0.01 0.00 0.00 57.00 55.85 4tim n GLN 65 Cb 0.56 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.35 4tim n GLN 65 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 4tim n ASN 66 N 0.29 0.00 -3.76 1.08 5.15 -1.22 -4.67 115.26 112.13 4tim n ASN 66 Ca 0.13 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 54.06 4tim n ASN 66 Cb 0.46 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.69 4tim n ASN 66 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 4tim s ALA 67 N -2.00 -1.52 0.13 5.20 0.00 -1.26 -4.93 121.76 117.37 4tim s ALA 67 Ca 0.00 0.06 0.09 0.00 0.00 0.00 0.00 51.96 52.11 4tim s ALA 67 Cb 0.00 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 4tim s ALA 67 CO 0.00 -1.01 -0.19 0.96 0.00 0.00 0.00 175.76 175.52 4tim s ILE 68 N -3.50 2.75 0.09 0.00 -4.36 -0.23 -4.97 121.20 110.98 4tim s ILE 68 Ca 0.11 -1.58 -0.29 0.00 -0.26 0.00 0.00 60.65 58.63 4tim s ILE 68 Cb -0.03 -2.26 -0.14 0.00 1.25 0.00 0.00 42.46 41.28 4tim s ILE 68 CO 0.02 0.08 1.64 0.00 0.24 0.00 0.00 174.94 176.92 4tim h ALA 69 N 3.68 -0.62 -2.37 2.27 0.00 -1.93 0.95 119.26 121.25 4tim h ALA 69 Ca -0.50 -0.11 -0.61 0.00 0.00 0.00 0.00 54.91 53.70 4tim h ALA 69 Cb 1.17 0.36 -0.15 0.00 0.00 0.00 0.00 17.79 19.18 4tim h ALA 69 CO 0.45 -0.87 -0.77 0.15 0.00 0.00 0.00 179.25 178.21 4tim s LYS 70 N -6.06 1.63 0.62 0.00 -0.14 -1.26 -4.08 119.74 110.44 4tim s LYS 70 Ca -0.16 -1.71 -0.11 0.00 -1.36 0.00 0.00 55.97 52.62 4tim s LYS 70 Cb 0.06 -1.73 -0.04 0.00 -1.68 0.00 0.00 37.83 34.44 4tim s LYS 70 CO 0.64 0.33 1.03 -1.12 -0.76 0.00 0.00 175.35 175.47 4tim s SER 71 N -3.35 6.18 0.00 2.83 0.01 -1.26 -4.75 113.70 113.35 4tim s SER 71 Ca 0.28 1.45 0.00 0.00 1.31 0.00 0.00 55.95 58.99 4tim s SER 71 Cb -0.05 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.70 4tim s SER 71 CO 0.14 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.49 4tim n GLY 72 N -2.58 0.25 2.98 3.44 0.00 -1.26 -5.03 105.19 102.99 4tim n GLY 72 Ca 0.06 -1.18 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 4tim n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4tim n ALA 73 N -0.67 5.01 -3.29 4.61 0.00 -1.26 -4.71 120.51 120.20 4tim n ALA 73 Ca 0.00 -4.06 -0.25 0.00 0.00 0.00 0.00 53.44 49.13 4tim n ALA 73 Cb 0.00 -3.31 -0.08 0.00 0.00 0.00 0.00 19.45 16.06 4tim n ALA 73 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 4tim n PHE 74 N 5.64 0.61 -1.64 0.00 3.72 -1.26 -5.10 117.46 119.43 4tim n PHE 74 Ca 0.46 -3.69 -0.48 0.00 -0.05 0.00 0.00 57.45 53.68 4tim n PHE 74 Cb 0.40 -0.34 -0.05 0.00 -0.94 0.00 0.00 39.48 38.55 4tim n PHE 74 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 4tim n THR 75 N 1.46 0.18 0.00 4.37 -1.04 -1.26 -1.76 114.28 116.22 4tim n THR 75 Ca 0.24 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 4tim n THR 75 Cb 0.49 -1.25 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 4tim n THR 75 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 4tim n GLY 76 N 2.88 2.06 3.96 3.41 0.00 -1.26 -5.05 105.19 111.19 4tim n GLY 76 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.96 4tim n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 4tim s GLU 77 N -0.45 3.46 -0.05 1.61 0.41 -0.72 -5.12 118.70 117.83 4tim s GLU 77 Ca 0.00 -0.57 0.04 0.00 -0.41 0.00 0.00 54.97 54.03 4tim s GLU 77 Cb 0.00 -2.79 0.00 0.00 -1.78 0.00 0.00 34.13 29.57 4tim s GLU 77 CO 0.00 0.30 -0.16 0.08 -0.49 0.00 0.00 175.26 174.99 4tim s VAL 78 N -2.14 1.37 0.33 2.63 1.01 -1.26 -4.97 120.40 117.37 4tim s VAL 78 Ca 0.37 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.74 4tim s VAL 78 Cb -0.09 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 4tim s VAL 78 CO 0.32 0.40 0.48 -0.94 0.00 0.00 0.00 175.10 175.37 4tim s SER 79 N 0.27 6.08 0.26 3.32 1.04 -1.26 -1.07 113.70 122.34 4tim s SER 79 Ca -0.09 0.04 -0.02 0.00 0.48 0.00 0.00 55.95 56.36 4tim s SER 79 Cb -0.13 -1.55 0.41 0.00 0.10 0.00 0.00 66.02 64.85 4tim s SER 79 CO 0.03 -0.37 1.87 -0.07 0.98 0.00 0.00 173.24 175.69 4tim h LEU 80 N 0.86 1.00 -0.92 2.42 3.38 -0.95 -1.31 115.31 119.81 4tim h LEU 80 Ca -0.48 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.43 4tim h LEU 80 Cb 1.24 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 4tim h LEU 80 CO 0.57 0.63 0.00 -0.65 0.09 0.00 0.00 178.44 179.08 4tim h PRO 81 N 1.14 0.80 -0.34 1.13 0.11 -1.85 -1.00 132.00 131.98 4tim h PRO 81 Ca 0.43 -0.21 -0.03 0.00 0.11 0.00 0.00 66.00 66.30 4tim h PRO 81 Cb 0.20 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 4tim h PRO 81 CO -0.18 0.80 0.09 0.82 -0.21 0.00 0.00 178.00 179.32 4tim h ILE 82 N 0.74 1.21 0.00 4.15 2.04 -1.79 -1.09 117.51 122.78 4tim h ILE 82 Ca 0.15 -0.71 -0.10 0.00 1.00 0.00 0.00 64.86 65.19 4tim h ILE 82 Cb 0.45 1.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 4tim h ILE 82 CO 0.02 0.24 -0.49 -0.07 0.00 0.00 0.00 178.15 177.85 4tim h LEU 83 N 0.39 0.00 -0.24 1.44 3.38 -0.90 -2.08 115.31 117.31 4tim h LEU 83 Ca 0.11 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 4tim h LEU 83 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 4tim h LEU 83 CO -0.00 0.49 0.00 0.50 0.09 0.00 0.00 178.44 179.52 4tim h LYS 84 N 0.00 0.43 -0.47 1.13 3.64 -1.00 0.60 116.57 120.89 4tim h LYS 84 Ca -0.00 -0.14 -0.07 0.00 -1.27 0.00 0.00 60.65 59.17 4tim h LYS 84 Cb 0.87 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 4tim h LYS 84 CO 0.06 0.60 -0.01 0.22 -2.27 0.00 0.00 179.45 178.06 4tim h ASP 85 N 0.21 0.76 0.39 4.20 3.58 -1.10 -0.07 116.42 124.39 4tim h ASP 85 Ca 0.07 -0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.34 4tim h ASP 85 Cb 0.41 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.25 4tim h ASP 85 CO 0.01 0.83 0.00 0.33 -2.88 0.00 0.00 179.24 177.53 4tim n PHE 86 N -4.21 0.00 -1.12 0.28 7.35 -0.79 -4.90 117.46 114.07 4tim n PHE 86 Ca 0.02 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.71 4tim n PHE 86 Cb 0.30 -0.27 0.00 0.00 0.35 0.00 0.00 39.48 39.86 4tim n PHE 86 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 4tim n GLY 87 N 0.53 0.74 3.77 7.13 0.00 -0.04 -5.06 105.19 112.27 4tim n GLY 87 Ca 0.10 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 45.08 4tim n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4tim s VAL 88 N -2.00 5.06 0.00 1.61 1.01 0.11 -4.99 120.40 121.20 4tim s VAL 88 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.02 4tim s VAL 88 Cb 0.00 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.17 4tim s VAL 88 CO 0.00 0.58 0.43 -3.20 0.00 0.00 0.00 175.10 172.91 4tim n ASN 89 N 2.40 0.76 -4.47 3.32 2.85 -1.26 -4.25 115.26 114.60 4tim n ASN 89 Ca -0.19 -1.16 -0.25 0.00 -0.11 0.00 0.00 54.58 52.87 4tim n ASN 89 Cb 0.54 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.46 4tim n ASN 89 CO 0.00 0.00 0.00 0.26 -2.11 0.00 0.00 177.26 175.41 4tim s TRP 90 N -0.16 2.34 -0.27 1.20 0.52 -1.25 -0.33 118.94 120.99 4tim s TRP 90 Ca 0.00 -0.33 -0.25 0.00 0.02 0.00 0.00 56.10 55.55 4tim s TRP 90 Cb 0.00 -1.08 0.07 0.00 -1.15 0.00 0.00 33.47 31.32 4tim s TRP 90 CO 0.00 0.62 0.74 -1.50 0.02 0.00 0.00 176.95 176.83 4tim s ILE 91 N -2.14 0.00 -0.15 2.03 2.07 -0.75 -2.23 121.20 120.02 4tim s ILE 91 Ca 0.26 0.00 -0.11 0.00 -1.41 0.00 0.00 60.65 59.39 4tim s ILE 91 Cb -0.06 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.48 4tim s ILE 91 CO 0.13 0.00 0.22 -0.69 -1.91 0.00 0.00 174.94 172.69 4tim s VAL 92 N 0.40 5.36 0.03 4.00 1.01 -0.28 -0.22 120.40 130.70 4tim s VAL 92 Ca -0.00 0.38 0.04 0.00 0.00 0.00 0.00 61.98 62.40 4tim s VAL 92 Cb -0.05 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 4tim s VAL 92 CO 0.00 0.47 -0.12 -0.76 0.00 0.00 0.00 175.10 174.69 4tim s LEU 93 N 0.01 2.15 -1.07 3.92 1.43 0.37 -3.41 118.68 122.07 4tim s LEU 93 Ca 0.14 -0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 52.83 4tim s LEU 93 Cb -0.12 -0.50 0.00 0.00 0.03 0.00 0.00 46.19 45.59 4tim s LEU 93 CO 0.03 0.02 0.12 0.61 0.23 0.00 0.00 176.35 177.35 4tim n GLY 94 N 2.06 -0.14 3.69 -3.19 0.00 -1.26 -1.01 105.19 105.34 4tim n GLY 94 Ca -0.18 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 4tim n GLY 94 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 4tim n HIS 95 N -4.02 2.01 -0.21 1.61 -0.00 -1.26 -4.34 115.22 109.01 4tim n HIS 95 Ca -0.13 0.50 0.17 0.00 0.46 0.00 0.00 57.72 58.72 4tim n HIS 95 Cb 0.61 -2.36 0.49 0.00 -0.12 0.00 0.00 29.99 28.61 4tim n HIS 95 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 4tim h SER 96 N 1.96 0.43 0.35 0.26 4.64 -1.93 0.69 113.55 119.95 4tim h SER 96 Ca -0.48 0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 60.80 4tim h SER 96 Cb 1.30 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 4tim h SER 96 CO 0.59 0.20 -0.36 -0.33 -0.87 0.00 0.00 176.83 176.07 4tim h GLU 97 N 0.44 0.01 0.01 4.77 5.08 -1.99 -1.33 114.58 121.57 4tim h GLU 97 Ca 0.42 -0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.58 4tim h GLU 97 Cb 0.97 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 4tim h GLU 97 CO -0.15 0.36 -0.91 0.00 -1.00 0.00 0.00 179.01 177.32 4tim h ARG 98 N 0.01 0.04 -0.14 2.33 3.08 0.02 -2.00 114.38 117.71 4tim h ARG 98 Ca -0.00 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 59.84 4tim h ARG 98 Cb 0.63 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 4tim h ARG 98 CO 0.05 0.91 -0.57 0.00 -1.07 0.00 0.00 179.97 179.29 4tim h ARG 99 N 0.02 0.44 0.13 0.04 3.08 -1.03 -0.83 114.38 116.23 4tim h ARG 99 Ca -0.02 -0.29 -0.29 0.00 0.07 0.00 0.00 59.98 59.45 4tim h ARG 99 Cb 1.59 0.04 0.03 0.00 0.08 0.00 0.00 29.97 31.70 4tim h ARG 99 CO 0.12 0.89 -1.22 0.00 -1.07 0.00 0.00 179.97 178.70 4tim h ALA 100 N 1.05 -0.03 0.00 0.04 0.00 -1.24 -3.38 119.26 115.70 4tim h ALA 100 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.14 4tim h ALA 100 Cb 1.10 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.00 4tim h ALA 100 CO 0.10 0.65 -1.18 0.66 0.00 0.00 0.00 179.25 179.48 4tim n TYR 101 N -3.83 0.00 -0.80 0.00 4.01 -0.76 -4.77 117.16 111.01 4tim n TYR 101 Ca -0.14 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.68 4tim n TYR 101 Cb 0.98 -0.15 0.11 0.00 -0.31 0.00 0.00 39.34 39.97 4tim n TYR 101 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 4tim n TYR 102 N -1.67 0.05 -0.75 -0.72 4.01 -0.32 -5.01 117.16 112.75 4tim n TYR 102 Ca -0.01 -0.87 0.00 0.00 -0.16 0.00 0.00 57.90 56.86 4tim n TYR 102 Cb 0.20 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.10 4tim n TYR 102 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 4tim n GLY 103 N -1.15 0.62 3.55 2.72 0.00 -1.21 -4.96 105.19 104.77 4tim n GLY 103 Ca 0.12 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 4tim n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 4tim s GLU 104 N -0.26 3.24 0.66 1.61 2.02 -1.20 -4.96 118.70 119.81 4tim s GLU 104 Ca 0.00 -0.20 -0.04 0.00 0.02 0.00 0.00 54.97 54.75 4tim s GLU 104 Cb 0.00 -4.15 0.06 0.00 0.10 0.00 0.00 34.13 30.13 4tim s GLU 104 CO 0.00 -2.04 0.95 0.95 0.02 0.00 0.00 175.26 175.14 4tim s THR 105 N 5.47 2.38 0.45 3.63 -4.23 -1.26 -4.44 115.64 117.64 4tim s THR 105 Ca 0.35 -0.39 0.16 0.00 -1.18 0.00 0.00 61.69 60.63 4tim s THR 105 Cb -0.09 -2.99 0.34 0.00 1.34 0.00 0.00 72.50 71.10 4tim s THR 105 CO 0.16 0.00 1.98 0.78 -0.54 0.00 0.00 174.62 177.01 4tim h ASN 106 N -0.42 0.29 -0.11 3.99 2.35 -1.97 -0.74 115.58 118.97 4tim h ASN 106 Ca -0.43 0.01 -0.22 0.00 -0.55 0.00 0.00 56.30 55.10 4tim h ASN 106 Cb 1.31 -0.05 0.01 0.00 0.05 0.00 0.00 38.32 39.64 4tim h ASN 106 CO 0.57 0.17 -0.80 1.05 -1.65 0.00 0.00 177.43 176.78 4tim h GLU 107 N 0.32 0.77 -0.52 0.81 9.09 -1.94 -1.14 114.58 121.97 4tim h GLU 107 Ca 0.27 -0.64 -0.10 0.00 0.05 0.00 0.00 59.36 58.94 4tim h GLU 107 Cb 0.62 0.14 -0.02 0.00 -1.65 0.00 0.00 28.75 27.84 4tim h GLU 107 CO -0.06 1.25 -0.07 0.82 0.05 0.00 0.00 179.01 180.99 4tim h ILE 108 N 0.52 1.27 0.42 -1.06 2.04 -1.54 0.48 117.51 119.64 4tim h ILE 108 Ca -0.06 -1.20 -0.02 0.00 1.00 0.00 0.00 64.86 64.58 4tim h ILE 108 Cb 1.42 0.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 4tim h ILE 108 CO 0.16 0.42 -0.20 0.58 0.00 0.00 0.00 178.15 179.11 4tim h VAL 109 N 0.83 0.59 -0.99 1.67 2.07 -1.20 -2.16 116.25 117.07 4tim h VAL 109 Ca 0.14 -0.11 0.13 0.00 0.82 0.00 0.00 66.70 67.68 4tim h VAL 109 Cb 0.62 0.64 -0.09 0.00 -1.52 0.00 0.00 31.29 30.95 4tim h VAL 109 CO 0.04 0.02 0.62 0.00 0.02 0.00 0.00 177.57 178.27 4tim h ALA 110 N -0.07 1.60 -0.24 1.67 0.00 -1.01 0.63 119.26 121.85 4tim h ALA 110 Ca -0.06 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 4tim h ALA 110 Cb 0.47 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 4tim h ALA 110 CO 0.09 0.14 -0.06 -0.44 0.00 0.00 0.00 179.25 178.98 4tim h ASP 111 N 0.91 0.35 -0.08 0.00 3.32 -0.59 0.66 116.42 121.00 4tim h ASP 111 Ca 0.50 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.39 4tim h ASP 111 Cb 0.59 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.05 4tim h ASP 111 CO -0.27 0.46 -0.33 0.11 -1.72 0.00 0.00 179.24 177.49 4tim h LYS 112 N 0.36 0.37 -0.35 3.56 1.57 -0.59 -0.31 116.57 121.18 4tim h LYS 112 Ca 0.08 -0.29 0.03 0.00 -1.87 0.00 0.00 60.65 58.60 4tim h LYS 112 Cb 0.34 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 4tim h LYS 112 CO 0.02 0.92 0.16 0.28 -0.57 0.00 0.00 179.45 180.25 4tim h VAL 113 N -0.10 0.96 -0.34 0.50 2.07 -0.75 0.91 116.25 119.49 4tim h VAL 113 Ca -0.02 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 4tim h VAL 113 Cb 0.97 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 4tim h VAL 113 CO 0.07 0.06 0.19 0.00 0.02 0.00 0.00 177.57 177.91 4tim h ALA 114 N 1.19 0.44 -0.47 1.67 0.00 -0.74 -0.21 119.26 121.14 4tim h ALA 114 Ca 0.15 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 4tim h ALA 114 Cb 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 4tim h ALA 114 CO -0.12 -0.04 0.21 0.00 0.00 0.00 0.00 179.25 179.30 4tim h ALA 115 N 1.06 0.61 0.23 0.00 0.00 0.06 -1.03 119.26 120.19 4tim h ALA 115 Ca 0.12 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 4tim h ALA 115 Cb 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 4tim h ALA 115 CO -0.02 0.20 -0.16 0.00 0.00 0.00 0.00 179.25 179.27 4tim h ALA 116 N 1.05 -0.37 -0.42 0.00 0.00 -0.49 0.20 119.26 119.24 4tim h ALA 116 Ca 0.16 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.09 4tim h ALA 116 Cb 0.16 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.07 4tim h ALA 116 CO -0.02 -0.72 -0.15 0.28 0.00 0.00 0.00 179.25 178.65 4tim h VAL 117 N -0.38 0.50 -0.77 0.00 2.07 -0.90 0.44 116.25 117.21 4tim h VAL 117 Ca -0.02 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.71 4tim h VAL 117 Cb 0.33 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 4tim h VAL 117 CO 0.01 0.00 0.54 0.00 0.02 0.00 0.00 177.57 178.14 4tim h ALA 118 N 1.32 2.55 -0.31 1.67 0.00 -0.79 0.14 119.26 123.84 4tim h ALA 118 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 4tim h ALA 118 Cb 0.37 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 4tim h ALA 118 CO -0.46 -0.77 0.00 0.45 0.00 0.00 0.00 179.25 178.47 4tim n SER 119 N -4.37 2.57 0.00 0.00 2.88 0.15 -4.92 113.62 109.93 4tim n SER 119 Ca 0.16 -1.87 0.00 0.00 -1.33 0.00 0.00 58.87 55.82 4tim n SER 119 Cb 0.76 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 4tim n SER 119 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 4tim n GLY 120 N 1.31 0.37 3.85 0.46 0.00 0.49 -5.05 105.19 106.62 4tim n GLY 120 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 4tim n GLY 120 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 4tim s PHE 121 N -2.02 3.39 -0.14 1.61 0.40 -1.02 -4.99 117.98 115.22 4tim s PHE 121 Ca 0.00 1.37 -0.14 0.00 -0.60 0.00 0.00 56.93 57.56 4tim s PHE 121 Cb 0.00 -2.80 -0.05 0.00 0.51 0.00 0.00 43.02 40.68 4tim s PHE 121 CO 0.00 -0.86 0.30 -1.64 0.70 0.00 0.00 175.22 173.73 4tim s MET 122 N -4.92 4.16 -0.09 0.44 -1.94 0.55 -4.49 119.30 113.01 4tim s MET 122 Ca 0.57 0.13 0.04 0.00 -1.71 0.00 0.00 55.69 54.72 4tim s MET 122 Cb -0.12 -3.38 -0.01 0.00 2.01 0.00 0.00 34.83 33.33 4tim s MET 122 CO 0.50 0.33 -0.22 0.08 -0.01 0.00 0.00 175.02 175.70 4tim s VAL 123 N 0.18 2.24 -0.41 -6.03 1.01 -0.23 -1.81 120.40 115.34 4tim s VAL 123 Ca 0.18 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 4tim s VAL 123 Cb -0.13 -1.86 0.06 0.00 0.00 0.00 0.00 36.38 34.45 4tim s VAL 123 CO 0.05 0.56 0.27 -0.63 0.00 0.00 0.00 175.10 175.35 4tim s ILE 124 N 0.18 4.50 -0.28 2.22 1.01 0.70 0.06 121.20 129.59 4tim s ILE 124 Ca -0.13 -1.18 -0.09 0.00 0.00 0.00 0.00 60.65 59.25 4tim s ILE 124 Cb -0.16 -3.67 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 4tim s ILE 124 CO 0.07 -0.44 0.14 0.00 0.00 0.00 0.00 174.94 174.71 4tim s ALA 125 N 1.50 3.32 0.02 9.38 0.00 0.14 -0.48 121.76 135.65 4tim s ALA 125 Ca 0.03 -1.19 -0.18 0.00 0.00 0.00 0.00 51.96 50.62 4tim s ALA 125 Cb -0.22 -2.31 -0.06 0.00 0.00 0.00 0.00 23.12 20.53 4tim s ALA 125 CO 0.04 -0.63 0.50 0.00 0.00 0.00 0.00 175.76 175.67 4tim s ILE 127 N -0.88 0.09 0.00 0.00 -4.36 -0.81 -4.62 121.20 110.63 4tim s ILE 127 Ca 0.27 -1.83 0.00 0.00 -0.26 0.00 0.00 60.65 58.82 4tim s ILE 127 Cb -0.18 -2.04 0.00 0.00 1.25 0.00 0.00 42.46 41.49 4tim s ILE 127 CO 0.16 -0.41 0.00 0.61 0.24 0.00 0.00 174.94 175.54 4tim n GLY 128 N -0.12 3.72 3.87 6.27 0.00 -1.26 0.95 105.19 118.61 4tim n GLY 128 Ca -0.05 -0.81 -0.26 0.00 0.00 0.00 0.00 46.02 44.90 4tim n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 4tim s GLU 129 N -2.40 3.16 0.67 1.61 1.03 -1.24 -4.79 118.70 116.74 4tim s GLU 129 Ca 0.00 -0.74 -0.07 0.00 0.03 0.00 0.00 54.97 54.19 4tim s GLU 129 Cb 0.00 -2.80 0.03 0.00 -0.80 0.00 0.00 34.13 30.56 4tim s GLU 129 CO 0.00 0.50 0.99 0.95 -1.33 0.00 0.00 175.26 176.38 4tim s THR 130 N -1.74 3.00 0.19 1.83 -4.23 -1.26 -1.82 115.64 111.60 4tim s THR 130 Ca 0.33 -0.02 -0.16 0.00 -1.18 0.00 0.00 61.69 60.65 4tim s THR 130 Cb -0.11 -3.26 0.15 0.00 1.34 0.00 0.00 72.50 70.63 4tim s THR 130 CO 0.26 -0.29 1.64 0.25 -0.54 0.00 0.00 174.62 175.94 4tim h LEU 131 N -0.47 -0.59 0.15 4.79 5.85 -1.80 0.11 115.31 123.34 4tim h LEU 131 Ca -0.45 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.44 4tim h LEU 131 Cb 1.28 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 42.66 4tim h LEU 131 CO 0.61 -0.20 -0.14 1.56 -0.34 0.00 0.00 178.44 179.93 4tim h GLN 132 N -0.05 -0.30 -0.82 1.25 7.50 -1.95 0.47 115.11 121.21 4tim h GLN 132 Ca 0.24 0.02 0.05 0.00 0.50 0.00 0.00 58.65 59.46 4tim h GLN 132 Cb 0.42 0.07 -0.06 0.00 0.05 0.00 0.00 27.48 27.96 4tim h GLN 132 CO -0.54 -0.20 0.51 0.93 -1.50 0.00 0.00 178.83 178.03 4tim h GLU 133 N -0.31 0.91 0.18 1.46 5.08 -1.84 -1.91 114.58 118.15 4tim h GLU 133 Ca 0.00 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 4tim h GLU 133 Cb 0.29 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.34 4tim h GLU 133 CO -0.03 0.60 -0.08 -0.09 -1.00 0.00 0.00 179.01 178.41 4tim h ARG 134 N 0.94 -0.23 -0.80 2.33 2.43 0.36 -1.40 114.38 118.02 4tim h ARG 134 Ca 0.35 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.64 4tim h ARG 134 Cb 0.13 0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.68 4tim h ARG 134 CO -0.16 -0.11 0.52 0.93 -1.51 0.00 0.00 179.97 179.64 4tim h GLU 135 N -0.28 0.70 -0.73 0.20 4.39 0.47 -0.36 114.58 118.97 4tim h GLU 135 Ca -0.02 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.63 4tim h GLU 135 Cb 0.22 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 4tim h GLU 135 CO 0.04 0.46 0.00 -1.13 -1.16 0.00 0.00 179.01 177.22 4tim n SER 136 N -4.51 3.92 -1.67 1.42 3.41 -0.77 -4.90 113.62 110.53 4tim n SER 136 Ca 0.14 -2.56 -0.14 0.00 -0.26 0.00 0.00 58.87 56.04 4tim n SER 136 Cb 0.34 -0.61 -0.01 0.00 -0.26 0.00 0.00 64.21 63.67 4tim n SER 136 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 4tim n GLY 137 N 0.42 -0.23 1.14 5.00 0.00 -0.15 -4.93 105.19 106.45 4tim n GLY 137 Ca 0.17 -0.27 0.10 0.00 0.00 0.00 0.00 46.02 46.02 4tim n GLY 137 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4tim n ARG 138 N -2.41 2.70 -0.14 1.61 1.74 -0.54 -4.70 116.66 114.93 4tim n ARG 138 Ca -0.17 -2.45 -0.11 0.00 -0.77 0.00 0.00 57.85 54.36 4tim n ARG 138 Cb 0.63 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 30.53 4tim n ARG 138 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 4tim h THR 139 N 3.72 0.08 -0.11 0.55 2.02 -1.81 0.14 112.91 117.49 4tim h THR 139 Ca 0.00 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.21 4tim h THR 139 Cb 0.92 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 4tim h THR 139 CO 0.00 0.00 -0.09 0.00 0.37 0.00 0.00 175.52 175.80 4tim h ALA 140 N 0.34 0.00 -0.49 6.16 0.00 -1.96 0.82 119.26 124.14 4tim h ALA 140 Ca 0.13 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.11 4tim h ALA 140 Cb 0.59 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 4tim h ALA 140 CO -0.60 -0.54 0.29 0.28 0.00 0.00 0.00 179.25 178.68 4tim h VAL 141 N -0.10 1.05 0.63 0.00 2.07 -1.62 -1.08 116.25 117.19 4tim h VAL 141 Ca 0.07 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 4tim h VAL 141 Cb 0.21 0.41 0.01 0.00 -1.52 0.00 0.00 31.29 30.40 4tim h VAL 141 CO -0.17 0.11 -0.30 0.58 0.02 0.00 0.00 177.57 177.80 4tim h VAL 142 N 0.59 0.19 -0.61 2.57 2.07 -0.43 -2.12 116.25 118.51 4tim h VAL 142 Ca 0.20 -0.33 0.08 0.00 0.82 0.00 0.00 66.70 67.47 4tim h VAL 142 Cb 0.01 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 29.98 4tim h VAL 142 CO -0.09 0.03 0.27 -0.37 0.02 0.00 0.00 177.57 177.43 4tim h VAL 143 N -1.11 0.84 -0.10 2.57 -1.51 -0.61 0.19 116.25 116.52 4tim h VAL 143 Ca -0.09 -0.17 -0.09 0.00 -1.23 0.00 0.00 66.70 65.13 4tim h VAL 143 Cb 0.69 0.31 -0.01 0.00 -2.13 0.00 0.00 31.29 30.15 4tim h VAL 143 CO 0.14 0.09 -0.35 -0.07 -1.23 0.00 0.00 177.57 176.15 4tim h LEU 144 N 0.49 0.20 -0.51 4.19 3.38 -1.28 -0.58 115.31 121.21 4tim h LEU 144 Ca 0.30 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 58.04 4tim h LEU 144 Cb 0.30 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 4tim h LEU 144 CO -0.25 0.54 -0.42 0.74 0.09 0.00 0.00 178.44 179.14 4tim h THR 145 N 0.17 1.29 -0.40 0.22 2.02 -0.56 0.23 112.91 115.87 4tim h THR 145 Ca 0.02 -1.60 -0.01 0.00 0.77 0.00 0.00 66.41 65.59 4tim h THR 145 Cb 0.70 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.58 4tim h THR 145 CO 0.05 0.52 0.19 1.56 0.37 0.00 0.00 175.52 178.21 4tim h GLN 146 N 0.62 0.57 -0.08 6.66 4.20 -0.25 -1.11 115.11 125.72 4tim h GLN 146 Ca 0.05 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 58.54 4tim h GLN 146 Cb 0.97 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 4tim h GLN 146 CO 0.09 0.50 -0.54 0.97 -0.67 0.00 0.00 178.83 179.18 4tim h ILE 147 N 0.50 1.36 -0.37 2.54 6.09 -1.01 -3.16 117.51 123.46 4tim h ILE 147 Ca 0.14 -1.84 -0.14 0.00 -1.37 0.00 0.00 64.86 61.65 4tim h ILE 147 Cb 0.11 1.90 -0.01 0.00 0.47 0.00 0.00 36.82 39.30 4tim h ILE 147 CO -0.02 0.55 -0.31 0.00 -3.07 0.00 0.00 178.15 175.29 4tim h ALA 148 N 1.25 0.53 -0.47 0.18 0.00 -0.21 -0.20 119.26 120.35 4tim h ALA 148 Ca 0.00 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.53 4tim h ALA 148 Cb 1.02 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 4tim h ALA 148 CO 0.08 0.58 0.32 0.00 0.00 0.00 0.00 179.25 180.23 4tim h ALA 149 N 0.77 1.81 -0.02 0.00 0.00 -1.19 -1.07 119.26 119.55 4tim h ALA 149 Ca 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 4tim h ALA 149 Cb 0.90 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 4tim h ALA 149 CO 0.08 0.13 -0.03 0.82 0.00 0.00 0.00 179.25 180.25 4tim h ILE 150 N 0.51 1.42 -0.95 0.00 2.04 -1.38 -3.28 117.51 115.86 4tim h ILE 150 Ca 0.19 -1.28 0.17 0.00 1.00 0.00 0.00 64.86 64.94 4tim h ILE 150 Cb 0.14 2.24 -0.10 0.00 -0.74 0.00 0.00 36.82 38.36 4tim h ILE 150 CO -0.05 0.34 0.56 0.00 0.00 0.00 0.00 178.15 179.00 4tim h ALA 151 N 0.48 1.52 0.00 1.87 0.00 -0.09 -1.61 119.26 121.42 4tim h ALA 151 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.99 4tim h ALA 151 Cb 0.57 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.28 4tim h ALA 151 CO 0.01 -0.02 0.01 1.57 0.00 0.00 0.00 179.25 180.81 4tim h LYS 152 N 0.75 0.00 -0.00 0.00 2.10 -1.29 -1.70 116.57 116.43 4tim h LYS 152 Ca 0.53 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.18 4tim h LYS 152 Cb 0.76 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.09 4tim h LYS 152 CO -0.36 0.00 -0.79 1.17 -2.00 0.00 0.00 179.45 177.47 4tim n LYS 153 N -2.60 0.88 -4.12 0.07 4.81 -0.61 -4.95 118.16 111.64 4tim n LYS 153 Ca -0.02 -0.20 -0.27 0.00 -0.87 0.00 0.00 58.31 56.95 4tim n LYS 153 Cb 0.06 -1.40 -0.06 0.00 0.02 0.00 0.00 35.03 33.65 4tim n LYS 153 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 4tim s LEU 154 N -2.77 3.64 0.45 3.14 1.43 -0.64 -4.90 118.68 119.02 4tim s LEU 154 Ca 0.09 -0.21 0.04 0.00 -1.03 0.00 0.00 54.13 53.02 4tim s LEU 154 Cb 0.15 -2.27 0.01 0.00 0.03 0.00 0.00 46.19 44.11 4tim s LEU 154 CO 0.72 0.09 0.63 -0.54 0.23 0.00 0.00 176.35 177.48 4tim s LYS 155 N -2.98 2.87 0.16 1.70 1.02 -1.26 -4.96 119.74 116.29 4tim s LYS 155 Ca 0.30 -0.86 -0.17 0.00 0.02 0.00 0.00 55.97 55.26 4tim s LYS 155 Cb -0.10 -2.64 0.09 0.00 -0.52 0.00 0.00 37.83 34.65 4tim s LYS 155 CO 0.22 -0.33 1.69 -0.22 -0.92 0.00 0.00 175.35 175.79 4tim h LYS 156 N 0.47 0.05 -0.97 1.68 3.64 -1.96 -0.95 116.57 118.52 4tim h LYS 156 Ca -0.44 -0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.06 4tim h LYS 156 Cb 1.27 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 33.00 4tim h LYS 156 CO 0.52 0.04 0.60 0.00 -2.27 0.00 0.00 179.45 178.34 4tim h ALA 157 N 1.35 1.47 -0.86 5.00 0.00 -2.01 -2.26 119.26 121.94 4tim h ALA 157 Ca 0.18 0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.28 4tim h ALA 157 Cb 0.27 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 4tim h ALA 157 CO -0.34 0.18 0.56 -0.44 0.00 0.00 0.00 179.25 179.21 4tim h ASP 158 N 0.94 0.53 -0.17 0.00 3.32 -1.55 -3.04 116.42 116.45 4tim h ASP 158 Ca 0.49 0.04 0.05 0.00 0.02 0.00 0.00 57.03 57.63 4tim h ASP 158 Cb 0.51 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 4tim h ASP 158 CO -0.28 0.25 0.56 -0.50 -1.72 0.00 0.00 179.24 177.56 4tim h TRP 159 N 0.55 0.00 0.00 4.55 4.06 -1.44 -0.45 115.95 123.22 4tim h TRP 159 Ca 0.43 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.38 4tim h TRP 159 Cb 0.86 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.02 4tim h TRP 159 CO -0.00 0.00 0.00 0.00 -3.56 0.00 0.00 178.44 174.88 4tim h ALA 160 N 1.03 1.00 -0.02 1.49 0.00 -1.74 -2.55 119.26 118.47 4tim h ALA 160 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 4tim h ALA 160 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 4tim h ALA 160 CO -0.00 0.00 -0.14 1.63 0.00 0.00 0.00 179.25 180.74 4tim n LYS 161 N -2.52 1.74 -3.96 0.00 4.76 -0.18 -4.96 118.16 113.04 4tim n LYS 161 Ca 0.01 -1.46 -0.35 0.00 -2.87 0.00 0.00 58.31 53.64 4tim n LYS 161 Cb 0.22 -1.39 -0.09 0.00 -1.84 0.00 0.00 35.03 31.93 4tim n LYS 161 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 4tim s VAL 162 N -1.90 5.01 -0.01 -0.18 1.01 -0.96 -1.07 120.40 122.30 4tim s VAL 162 Ca 0.22 0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.31 4tim s VAL 162 Cb 0.17 -3.23 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 4tim s VAL 162 CO 0.34 0.50 -0.23 -0.69 0.00 0.00 0.00 175.10 175.03 4tim s VAL 163 N -0.06 2.36 -0.13 2.92 1.01 0.11 -4.62 120.40 121.98 4tim s VAL 163 Ca 0.08 -1.08 -0.03 0.00 0.00 0.00 0.00 61.98 60.94 4tim s VAL 163 Cb -0.12 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 4tim s VAL 163 CO 0.01 0.52 -0.03 -0.63 0.00 0.00 0.00 175.10 174.97 4tim s ILE 164 N -0.70 3.99 -0.21 2.22 -1.09 -0.79 0.26 121.20 124.88 4tim s ILE 164 Ca 0.11 -0.34 0.01 0.00 -2.23 0.00 0.00 60.65 58.21 4tim s ILE 164 Cb -0.10 -2.73 0.05 0.00 -1.58 0.00 0.00 42.46 38.10 4tim s ILE 164 CO 0.00 0.52 -0.11 0.00 -1.23 0.00 0.00 174.94 174.13 4tim s ALA 165 N -0.00 2.17 -0.20 9.38 0.00 -0.21 0.73 121.76 133.63 4tim s ALA 165 Ca 0.01 -1.35 -0.27 0.00 0.00 0.00 0.00 51.96 50.35 4tim s ALA 165 Cb -0.13 -1.35 -0.00 0.00 0.00 0.00 0.00 23.12 21.63 4tim s ALA 165 CO 0.02 -0.88 0.91 -0.47 0.00 0.00 0.00 175.76 175.34 4tim s TYR 166 N 1.31 3.38 -0.24 0.00 5.04 0.30 -1.92 117.35 125.22 4tim s TYR 166 Ca -0.03 1.32 -0.06 0.00 -2.44 0.00 0.00 57.07 55.86 4tim s TYR 166 Cb -0.17 -3.11 -0.02 0.00 0.35 0.00 0.00 41.96 39.00 4tim s TYR 166 CO -0.08 -0.35 0.03 -1.21 -1.34 0.00 0.00 175.55 172.60 4tim s GLU 167 N 2.62 3.57 -1.29 4.97 2.02 0.27 -0.32 118.70 130.53 4tim s GLU 167 Ca 0.40 -0.52 -0.17 0.00 0.02 0.00 0.00 54.97 54.69 4tim s GLU 167 Cb -0.16 -3.22 0.02 0.00 0.10 0.00 0.00 34.13 30.87 4tim s GLU 167 CO 0.10 -0.18 1.96 -0.35 0.02 0.00 0.00 175.26 176.80 4tim n PRO 168 N 4.85 2.73 0.25 0.39 -0.04 -1.26 -3.63 135.00 138.28 4tim n PRO 168 Ca -0.17 -2.80 0.12 0.00 -0.04 0.00 0.00 63.50 60.61 4tim n PRO 168 Cb 0.51 -3.39 0.76 0.00 -0.04 0.00 0.00 33.50 31.34 4tim n PRO 168 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 4tim h VAL 169 N 4.96 0.76 0.00 0.52 2.07 -1.77 0.19 116.25 122.98 4tim h VAL 169 Ca 0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.99 4tim h VAL 169 Cb 0.77 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 4tim h VAL 169 CO 1.64 0.00 0.00 -2.67 0.02 0.00 0.00 177.57 176.56 4tim n TRP 170 N -4.21 0.77 -0.10 1.57 4.27 -0.75 -1.76 117.44 117.24 4tim n TRP 170 Ca -0.02 0.39 0.01 0.00 -3.89 0.00 0.00 57.50 54.00 4tim n TRP 170 Cb 0.15 -1.13 0.01 0.00 -1.36 0.00 0.00 31.31 28.97 4tim n TRP 170 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 4tim n ALA 171 N -1.79 2.00 -3.13 -1.67 0.00 0.66 -4.56 120.51 112.02 4tim n ALA 171 Ca -0.01 -1.11 -0.38 0.00 0.00 0.00 0.00 53.44 51.93 4tim n ALA 171 Cb 0.05 -0.03 -0.12 0.00 0.00 0.00 0.00 19.45 19.35 4tim n ALA 171 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 4tim s ILE 172 N -1.12 3.99 0.00 0.00 1.01 -0.72 -4.53 121.20 119.82 4tim s ILE 172 Ca 0.02 -1.07 0.00 0.00 0.00 0.00 0.00 60.65 59.60 4tim s ILE 172 Cb 0.02 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.24 4tim s ILE 172 CO 0.00 -0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.35 4tim n GLY 173 N 4.86 0.61 0.05 6.18 0.00 -1.26 -4.91 105.19 110.72 4tim n GLY 173 Ca -0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.90 4tim n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 4tim n THR 174 N -2.76 0.58 0.00 2.61 -2.24 -1.26 -4.99 114.28 106.22 4tim n THR 174 Ca 0.00 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 4tim n THR 174 Cb 0.00 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 4tim n THR 174 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 4tim n GLY 175 N 1.70 2.47 3.79 3.38 0.00 -1.26 -5.08 105.19 110.19 4tim n GLY 175 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 4tim n GLY 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 4tim s LYS 176 N -0.30 2.25 -0.10 1.61 -0.14 -1.26 -5.09 119.74 116.71 4tim s LYS 176 Ca 0.00 0.84 0.01 0.00 -1.36 0.00 0.00 55.97 55.46 4tim s LYS 176 Cb 0.00 -1.92 0.02 0.00 -1.68 0.00 0.00 37.83 34.25 4tim s LYS 176 CO 0.00 -1.55 -0.12 0.08 -0.76 0.00 0.00 175.35 173.00 4tim s VAL 177 N -3.05 1.30 0.00 3.17 1.01 -1.26 -4.86 120.40 116.70 4tim s VAL 177 Ca 0.60 -0.51 -0.22 0.00 0.00 0.00 0.00 61.98 61.85 4tim s VAL 177 Cb -0.15 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 4tim s VAL 177 CO 0.55 0.40 0.67 0.00 0.00 0.00 0.00 175.10 176.72 4tim s ALA 178 N 1.15 3.43 0.49 5.51 0.00 -1.26 -5.06 121.76 126.02 4tim s ALA 178 Ca -0.04 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.05 4tim s ALA 178 Cb -0.14 -2.86 0.01 0.00 0.00 0.00 0.00 23.12 20.13 4tim s ALA 178 CO -0.03 0.10 0.71 0.95 0.00 0.00 0.00 175.76 177.49 4tim s THR 179 N -0.01 3.44 0.40 0.00 -4.23 -1.26 -5.00 115.64 108.98 4tim s THR 179 Ca 0.34 -0.57 0.06 0.00 -1.18 0.00 0.00 61.69 60.34 4tim s THR 179 Cb -0.19 -3.28 0.26 0.00 1.34 0.00 0.00 72.50 70.64 4tim s THR 179 CO 0.19 -0.19 2.05 -0.65 -0.54 0.00 0.00 174.62 175.48 4tim h PRO 180 N 0.27 0.61 -0.54 3.99 0.11 -1.97 -1.95 132.00 132.52 4tim h PRO 180 Ca -0.44 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 65.67 4tim h PRO 180 Cb 1.27 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 4tim h PRO 180 CO 0.55 0.41 0.28 1.96 -0.21 0.00 0.00 178.00 180.98 4tim h GLN 181 N 0.63 0.53 -0.32 1.05 7.50 -1.96 -1.76 115.11 120.77 4tim h GLN 181 Ca 0.17 -0.03 -0.09 0.00 0.50 0.00 0.00 58.65 59.19 4tim h GLN 181 Cb -0.07 -0.12 -0.02 0.00 0.05 0.00 0.00 27.48 27.33 4tim h GLN 181 CO -0.04 0.35 -0.19 1.96 -1.50 0.00 0.00 178.83 179.41 4tim h GLN 182 N 0.54 0.60 0.07 1.46 4.20 -1.75 0.61 115.11 120.84 4tim h GLN 182 Ca 0.23 -0.21 0.01 0.00 0.06 0.00 0.00 58.65 58.74 4tim h GLN 182 Cb 0.13 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 4tim h GLN 182 CO -0.16 0.75 -0.09 0.00 -0.67 0.00 0.00 178.83 178.67 4tim h ALA 183 N 1.26 -0.15 -0.75 3.87 0.00 -1.16 -2.46 119.26 119.87 4tim h ALA 183 Ca 0.09 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 4tim h ALA 183 Cb 0.63 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 4tim h ALA 183 CO 0.04 -0.60 0.26 0.37 0.00 0.00 0.00 179.25 179.32 4tim h GLN 184 N -0.19 1.14 -0.17 0.00 5.75 -1.09 -0.35 115.11 120.20 4tim h GLN 184 Ca 0.01 -0.23 0.03 0.00 -0.15 0.00 0.00 58.65 58.32 4tim h GLN 184 Cb 0.19 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.54 4tim h GLN 184 CO -0.04 0.95 -0.01 0.93 -2.65 0.00 0.00 178.83 178.01 4tim h GLU 185 N 1.10 0.04 -0.81 1.69 5.08 -0.68 0.81 114.58 121.81 4tim h GLU 185 Ca 0.25 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 4tim h GLU 185 Cb 0.26 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.47 4tim h GLU 185 CO -0.01 0.03 0.49 0.00 -1.00 0.00 0.00 179.01 178.51 4tim h ALA 186 N 1.15 1.34 -0.55 3.43 0.00 -0.96 -1.70 119.26 121.98 4tim h ALA 186 Ca 0.08 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 4tim h ALA 186 Cb 0.10 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 4tim h ALA 186 CO -0.15 0.57 -0.08 0.45 0.00 0.00 0.00 179.25 180.05 4tim h HIS 187 N 1.11 1.14 -0.80 0.00 3.86 -0.26 -2.23 115.15 117.97 4tim h HIS 187 Ca 0.29 -0.23 -0.05 0.00 -1.16 0.00 0.00 60.37 59.23 4tim h HIS 187 Cb -0.05 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.10 4tim h HIS 187 CO 0.00 1.04 0.31 0.00 0.86 0.00 0.00 177.93 180.15 4tim h ALA 188 N 0.93 1.04 -0.53 2.45 0.00 -0.64 -1.28 119.26 121.24 4tim h ALA 188 Ca 0.15 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 4tim h ALA 188 Cb 0.65 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 4tim h ALA 188 CO 0.04 0.67 0.14 1.25 0.00 0.00 0.00 179.25 181.36 4tim h LEU 189 N 1.16 0.75 -0.17 0.00 5.85 -1.13 -0.26 115.31 121.51 4tim h LEU 189 Ca 0.26 -0.13 -0.21 0.00 0.84 0.00 0.00 57.88 58.65 4tim h LEU 189 Cb 0.23 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 41.07 4tim h LEU 189 CO -0.02 0.73 -0.71 0.40 -0.34 0.00 0.00 178.44 178.50 4tim h ILE 190 N 0.78 1.29 -0.60 4.05 2.04 -0.74 -2.81 117.51 121.52 4tim h ILE 190 Ca 0.18 -1.92 0.03 0.00 1.00 0.00 0.00 64.86 64.15 4tim h ILE 190 Cb 0.27 1.96 -0.04 0.00 -0.74 0.00 0.00 36.82 38.26 4tim h ILE 190 CO -0.00 0.61 0.35 -0.09 0.00 0.00 0.00 178.15 179.02 4tim h ARG 191 N 0.51 0.67 -0.97 2.37 2.43 -0.82 -2.32 114.38 116.25 4tim h ARG 191 Ca -0.04 -0.04 0.13 0.00 -0.81 0.00 0.00 59.98 59.22 4tim h ARG 191 Cb 1.34 -0.15 -0.09 0.00 -0.42 0.00 0.00 29.97 30.65 4tim h ARG 191 CO 0.15 0.44 0.59 0.77 -1.51 0.00 0.00 179.97 180.41 4tim h SER 192 N 0.69 0.83 -0.01 -3.80 0.02 -0.97 0.23 113.55 110.54 4tim h SER 192 Ca 0.25 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.26 4tim h SER 192 Cb 0.06 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 4tim h SER 192 CO -0.12 0.41 0.00 -0.25 -1.14 0.00 0.00 176.83 175.74 4tim h TRP 193 N 0.89 0.02 0.26 3.45 7.01 -1.18 -0.37 115.95 126.03 4tim h TRP 193 Ca 0.50 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.48 4tim h TRP 193 Cb 0.56 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 27.62 4tim h TRP 193 CO -0.02 0.23 -0.12 0.28 -2.79 0.00 0.00 178.44 176.02 4tim h VAL 194 N -0.19 0.78 -0.68 2.65 2.07 -0.90 0.82 116.25 120.80 4tim h VAL 194 Ca 0.00 -0.27 0.13 0.00 0.82 0.00 0.00 66.70 67.39 4tim h VAL 194 Cb 0.22 0.94 -0.09 0.00 -1.52 0.00 0.00 31.29 30.83 4tim h VAL 194 CO -0.00 0.06 0.19 -1.28 0.02 0.00 0.00 177.57 176.56 4tim h SER 195 N -0.48 0.08 0.01 0.57 0.87 -0.58 0.76 113.55 114.77 4tim h SER 195 Ca -0.04 0.12 -0.04 0.00 -1.23 0.00 0.00 61.79 60.60 4tim h SER 195 Cb 0.36 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 4tim h SER 195 CO 0.06 0.02 -0.17 -1.28 -0.53 0.00 0.00 176.83 174.93 4tim h SER 196 N 0.31 0.14 0.70 6.23 0.87 -0.72 -2.56 113.55 118.51 4tim h SER 196 Ca 0.37 -0.83 -0.26 0.00 -1.23 0.00 0.00 61.79 59.84 4tim h SER 196 Cb 0.57 -0.04 -0.04 0.00 -0.44 0.00 0.00 62.40 62.45 4tim h SER 196 CO -0.43 0.95 -1.42 0.11 -0.53 0.00 0.00 176.83 175.51 4tim h LYS 197 N -0.66 0.01 0.00 2.24 1.79 0.77 -3.41 116.57 117.31 4tim h LYS 197 Ca -0.02 -0.01 -0.16 0.00 -2.18 0.00 0.00 60.65 58.28 4tim h LYS 197 Cb 0.98 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.61 4tim h LYS 197 CO 0.03 0.71 -1.58 -0.89 -1.08 0.00 0.00 179.45 176.65 4tim n ILE 198 N -3.18 0.58 0.00 1.86 2.08 0.24 -5.04 119.36 115.89 4tim n ILE 198 Ca -0.10 -0.20 0.00 0.00 0.56 0.00 0.00 62.75 63.01 4tim n ILE 198 Cb 1.01 -1.07 0.00 0.00 -0.75 0.00 0.00 39.64 38.83 4tim n ILE 198 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 4tim n GLY 199 N 2.84 3.72 0.16 7.39 0.00 0.39 -4.88 105.19 114.80 4tim n GLY 199 Ca -0.19 -0.81 0.04 0.00 0.00 0.00 0.00 46.02 45.07 4tim n GLY 199 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 4tim h ALA 200 N 0.00 0.76 0.00 4.61 0.00 -1.82 -2.54 119.26 120.28 4tim h ALA 200 Ca 0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 4tim h ALA 200 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 4tim h ALA 200 CO 0.00 0.52 -0.00 0.38 0.00 0.00 0.00 179.25 180.15 4tim h ASP 201 N 0.00 -0.00 -0.35 0.00 2.03 -1.92 -2.33 116.42 113.85 4tim h ASP 201 Ca -0.00 -0.68 0.05 0.00 -0.73 0.00 0.00 57.03 55.66 4tim h ASP 201 Cb 1.25 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.70 4tim h ASP 201 CO 0.05 0.68 0.10 0.58 -1.03 0.00 0.00 179.24 179.62 4tim h VAL 202 N -0.69 0.86 -0.80 4.15 2.07 -1.90 -2.49 116.25 117.45 4tim h VAL 202 Ca -0.00 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.46 4tim h VAL 202 Cb 0.68 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 4tim h VAL 202 CO 0.00 0.04 0.53 0.00 0.02 0.00 0.00 177.57 178.16 4tim h ALA 203 N 1.24 1.47 0.00 1.67 0.00 -1.51 0.53 119.26 122.66 4tim h ALA 203 Ca 0.16 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 4tim h ALA 203 Cb 0.16 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 4tim h ALA 203 CO -0.19 0.47 -0.49 0.78 0.00 0.00 0.00 179.25 179.82 4tim h GLY 204 N 1.04 0.00 1.10 0.00 0.00 -1.12 -3.14 103.07 100.95 4tim h GLY 204 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 4tim h GLY 204 CO -0.08 0.00 -0.79 0.83 0.00 0.00 0.00 176.54 176.51 4tim h GLU 205 N 0.00 0.00 -6.50 4.80 5.08 -0.51 -3.40 114.58 114.05 4tim h GLU 205 Ca -0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.82 4tim h GLU 205 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 4tim h GLU 205 CO 0.06 0.00 0.54 -1.17 -1.00 0.00 0.00 179.01 177.45 4tim s LEU 206 N -4.83 4.38 -0.19 1.33 2.96 -0.47 -4.85 118.68 117.02 4tim s LEU 206 Ca 0.03 2.01 -0.22 0.00 -0.22 0.00 0.00 54.13 55.73 4tim s LEU 206 Cb 0.11 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.20 4tim s LEU 206 CO 0.75 -0.44 0.69 -0.13 -1.32 0.00 0.00 176.35 175.91 4tim s ARG 207 N 0.92 4.24 -0.29 1.98 3.00 -1.26 -4.92 118.95 122.62 4tim s ARG 207 Ca 0.58 0.74 -0.02 0.00 0.00 0.00 0.00 55.73 57.02 4tim s ARG 207 Cb -0.29 -3.58 0.04 0.00 0.00 0.00 0.00 34.95 31.12 4tim s ARG 207 CO 0.30 -0.27 -0.01 0.42 0.00 0.00 0.00 175.30 175.74 4tim s ILE 208 N 1.98 3.06 0.17 1.52 1.01 -1.26 -1.88 121.20 125.80 4tim s ILE 208 Ca 0.32 -1.21 -0.11 0.00 0.00 0.00 0.00 60.65 59.64 4tim s ILE 208 Cb -0.16 -2.68 -0.07 0.00 0.01 0.00 0.00 42.46 39.56 4tim s ILE 208 CO 0.11 -0.00 0.52 -0.76 0.00 0.00 0.00 174.94 174.81 4tim s LEU 209 N 1.30 4.27 -0.18 2.97 1.43 0.22 -1.44 118.68 127.26 4tim s LEU 209 Ca -0.03 0.95 -0.20 0.00 -1.03 0.00 0.00 54.13 53.83 4tim s LEU 209 Cb -0.19 -3.38 -0.03 0.00 0.03 0.00 0.00 46.19 42.63 4tim s LEU 209 CO -0.02 0.05 0.57 -0.47 0.23 0.00 0.00 176.35 176.71 4tim s TYR 210 N -1.59 3.41 -0.20 0.29 5.04 -0.62 -0.54 117.35 123.14 4tim s TYR 210 Ca 0.41 0.89 0.16 0.00 -2.44 0.00 0.00 57.07 56.09 4tim s TYR 210 Cb -0.13 -2.72 0.56 0.00 0.35 0.00 0.00 41.96 40.02 4tim s TYR 210 CO 0.20 -0.08 1.45 0.41 -1.34 0.00 0.00 175.55 176.19 4tim n GLY 211 N 3.71 3.93 0.00 8.97 0.00 0.56 -1.59 105.19 120.77 4tim n GLY 211 Ca -0.03 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.96 4tim n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 4tim n GLY 212 N -0.39 1.02 3.59 -0.02 0.00 -1.26 -4.65 105.19 103.48 4tim n GLY 212 Ca 0.22 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 4tim n GLY 212 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 4tim s SER 213 N -1.00 6.14 -0.04 1.61 0.01 -1.26 -4.79 113.70 114.37 4tim s SER 213 Ca 0.00 0.62 0.03 0.00 1.31 0.00 0.00 55.95 57.91 4tim s SER 213 Cb 0.00 -2.54 0.01 0.00 0.21 0.00 0.00 66.02 63.70 4tim s SER 213 CO 0.00 -1.63 -0.11 0.54 0.41 0.00 0.00 173.24 172.45 4tim s VAL 214 N 6.05 1.00 0.30 3.43 0.11 -1.26 -4.99 120.40 125.04 4tim s VAL 214 Ca 0.60 -0.45 0.03 0.00 -2.93 0.00 0.00 61.98 59.23 4tim s VAL 214 Cb -0.13 -0.90 -0.04 0.00 -1.53 0.00 0.00 36.38 33.79 4tim s VAL 214 CO 0.29 0.31 0.17 0.54 -3.33 0.00 0.00 175.10 173.08 4tim s ASN 215 N 0.35 1.47 0.60 3.54 2.20 -1.26 -4.56 114.94 117.28 4tim s ASN 215 Ca -0.07 -1.56 0.38 0.00 -0.94 0.00 0.00 52.86 50.67 4tim s ASN 215 Cb -0.12 0.40 2.09 0.00 -2.00 0.00 0.00 41.25 41.63 4tim s ASN 215 CO 0.02 -0.90 2.18 1.23 -2.94 0.00 0.00 177.10 176.69 4tim h GLY 216 N 2.23 0.00 0.74 0.45 0.00 -1.92 -2.17 103.07 102.40 4tim h GLY 216 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 4tim h GLY 216 CO 0.51 0.00 -0.73 0.28 0.00 0.00 0.00 176.54 176.60 4tim n LYS 217 N -2.89 0.10 0.00 4.80 4.01 -1.26 -4.36 118.16 118.56 4tim n LYS 217 Ca -0.03 0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.78 4tim n LYS 217 Cb 0.10 -1.54 0.00 0.00 -0.51 0.00 0.00 35.03 33.08 4tim n LYS 217 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 4tim n ASN 218 N -1.67 0.25 -0.00 4.39 6.94 -0.95 -4.76 115.26 119.46 4tim n ASN 218 Ca 0.04 -0.60 0.02 0.00 -0.02 0.00 0.00 54.58 54.03 4tim n ASN 218 Cb 0.37 0.32 0.37 0.00 -2.36 0.00 0.00 39.78 38.49 4tim n ASN 218 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 4tim h ALA 219 N 0.00 1.58 -0.15 -2.53 0.00 -1.60 -2.06 119.26 114.50 4tim h ALA 219 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 4tim h ALA 219 Cb 0.09 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 4tim h ALA 219 CO 0.00 0.34 -0.04 0.00 0.00 0.00 0.00 179.25 179.55 4tim h ARG 220 N 0.54 0.29 0.00 0.00 3.08 -1.84 -1.61 114.38 114.83 4tim h ARG 220 Ca 0.13 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 4tim h ARG 220 Cb 0.09 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 4tim h ARG 220 CO -0.02 0.58 -0.15 1.79 -1.07 0.00 0.00 179.97 181.11 4tim h THR 221 N -0.02 1.00 -0.04 2.04 1.35 -1.87 -0.72 112.91 114.65 4tim h THR 221 Ca 0.04 -0.52 -0.25 0.00 -0.55 0.00 0.00 66.41 65.13 4tim h THR 221 Cb 0.47 1.29 0.02 0.00 -1.73 0.00 0.00 68.15 68.20 4tim h THR 221 CO 0.02 0.14 -0.95 -0.07 -0.25 0.00 0.00 175.52 174.40 4tim h LEU 222 N 0.00 0.87 -1.61 3.87 3.38 -1.16 -3.15 115.31 117.50 4tim h LEU 222 Ca -0.00 -0.66 -0.04 0.00 0.09 0.00 0.00 57.88 57.27 4tim h LEU 222 Cb 0.28 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 4tim h LEU 222 CO 0.02 1.46 -0.21 0.22 0.09 0.00 0.00 178.44 180.02 4tim h TYR 223 N 0.42 0.00 -0.09 1.13 3.20 -0.75 -1.85 116.97 119.03 4tim h TYR 223 Ca -0.10 0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.79 4tim h TYR 223 Cb 1.60 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.86 4tim h TYR 223 CO 0.09 0.21 0.08 1.96 -1.64 0.00 0.00 178.16 178.87 4tim h GLN 224 N 0.00 0.00 -6.85 1.82 4.20 -1.10 -3.43 115.11 109.75 4tim h GLN 224 Ca -0.00 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.20 4tim h GLN 224 Cb 0.45 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.26 4tim h GLN 224 CO 0.03 0.00 0.50 -0.65 -0.67 0.00 0.00 178.83 178.04 4tim s GLN 225 N -4.77 4.48 0.23 1.46 -1.52 -0.70 -4.97 119.66 113.87 4tim s GLN 225 Ca -0.05 1.85 -0.07 0.00 -1.95 0.00 0.00 55.36 55.14 4tim s GLN 225 Cb 0.16 -3.05 0.39 0.00 -0.22 0.00 0.00 33.01 30.29 4tim s GLN 225 CO 0.59 0.05 1.68 -0.09 -0.25 0.00 0.00 175.29 177.27 4tim h ARG 226 N 3.48 0.21 -0.70 2.91 2.43 -1.88 -2.21 114.38 118.61 4tim h ARG 226 Ca -0.47 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 4tim h ARG 226 Cb 1.22 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 4tim h ARG 226 CO 0.66 0.14 0.00 -0.25 -1.51 0.00 0.00 179.97 179.00 4tim n ASP 227 N -5.20 4.46 -4.65 -3.80 8.00 -1.26 -4.89 116.55 109.21 4tim n ASP 227 Ca 0.12 -2.24 -0.41 0.00 0.71 0.00 0.00 54.79 52.97 4tim n ASP 227 Cb 0.41 -0.55 -0.05 0.00 -0.02 0.00 0.00 41.12 40.91 4tim n ASP 227 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 4tim s VAL 228 N -1.46 4.93 -0.26 2.53 1.01 -0.83 -4.60 120.40 121.72 4tim s VAL 228 Ca 0.51 1.36 0.10 0.00 0.00 0.00 0.00 61.98 63.94 4tim s VAL 228 Cb 0.30 -4.02 0.47 0.00 0.00 0.00 0.00 36.38 33.13 4tim s VAL 228 CO 0.29 0.02 1.38 0.59 0.00 0.00 0.00 175.10 177.38 4tim n ASN 229 N 5.55 2.21 0.00 3.32 4.13 -0.52 -4.88 115.26 125.08 4tim n ASN 229 Ca 0.02 -3.81 0.00 0.00 1.68 0.00 0.00 54.58 52.47 4tim n ASN 229 Cb 0.49 -0.60 0.00 0.00 -1.54 0.00 0.00 39.78 38.13 4tim n ASN 229 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 4tim n GLY 230 N -1.12 0.87 2.98 7.41 0.00 -1.26 -2.73 105.19 111.34 4tim n GLY 230 Ca 0.28 -2.12 -0.09 0.00 0.00 0.00 0.00 46.02 44.09 4tim n GLY 230 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 4tim s PHE 231 N -1.02 0.26 -0.38 1.61 0.08 -0.41 -1.58 117.98 116.55 4tim s PHE 231 Ca 0.00 -0.54 -0.08 0.00 0.12 0.00 0.00 56.93 56.43 4tim s PHE 231 Cb 0.00 -0.19 0.06 0.00 -0.57 0.00 0.00 43.02 42.31 4tim s PHE 231 CO 0.00 -0.20 0.18 -1.17 -0.10 0.00 0.00 175.22 173.94 4tim s LEU 232 N -1.50 4.74 -0.07 -0.37 2.96 -0.62 -0.83 118.68 122.98 4tim s LEU 232 Ca -0.15 -1.29 -0.11 0.00 -0.22 0.00 0.00 54.13 52.35 4tim s LEU 232 Cb -0.09 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.61 4tim s LEU 232 CO -0.01 -0.42 0.27 -0.69 -1.32 0.00 0.00 176.35 174.17 4tim s VAL 233 N 1.42 5.29 0.00 1.68 1.01 0.26 -4.49 120.40 125.58 4tim s VAL 233 Ca 0.01 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.49 4tim s VAL 233 Cb -0.21 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.62 4tim s VAL 233 CO 0.03 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.32 4tim n GLY 234 N 2.07 0.89 0.12 4.51 0.00 -1.26 -0.73 105.19 110.79 4tim n GLY 234 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 4tim n GLY 234 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 4tim h GLY 235 N 0.00 -0.20 2.00 -0.02 0.00 -1.92 -2.29 103.07 100.64 4tim h GLY 235 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.41 4tim h GLY 235 CO 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 176.54 176.46 4tim n ALA 236 N -2.19 1.07 0.21 3.60 0.00 -1.26 -1.81 120.51 120.12 4tim n ALA 236 Ca -0.08 0.15 0.09 0.00 0.00 0.00 0.00 53.44 53.59 4tim n ALA 236 Cb 0.11 -1.25 0.38 0.00 0.00 0.00 0.00 19.45 18.70 4tim n ALA 236 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 4tim h SER 237 N 0.00 0.00 -0.18 0.00 4.64 -1.67 -2.30 113.55 114.04 4tim h SER 237 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 4tim h SER 237 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 4tim h SER 237 CO 0.00 0.26 0.00 0.18 -0.87 0.00 0.00 176.83 176.40 4tim n LEU 238 N -3.36 1.31 -4.42 5.97 7.99 -0.75 -4.88 117.00 118.86 4tim n LEU 238 Ca 0.00 -0.59 -0.21 0.00 -0.01 0.00 0.00 56.01 55.20 4tim n LEU 238 Cb 0.48 -0.12 -0.10 0.00 -0.11 0.00 0.00 43.42 43.57 4tim n LEU 238 CO 0.34 0.30 -0.41 -0.54 -1.51 0.00 0.00 177.39 175.57 4tim s LYS 239 N -1.77 1.53 0.46 3.23 1.02 -0.87 -5.04 119.74 118.30 4tim s LYS 239 Ca 0.26 -1.73 0.13 0.00 0.02 0.00 0.00 55.97 54.65 4tim s LYS 239 Cb 0.14 -1.31 1.04 0.00 -0.52 0.00 0.00 37.83 37.17 4tim s LYS 239 CO 0.20 0.15 2.04 -1.35 -0.92 0.00 0.00 175.35 175.47 4tim h PRO 240 N 2.34 0.12 -0.06 -1.68 0.11 -1.91 -1.66 132.00 129.26 4tim h PRO 240 Ca -0.40 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.72 4tim h PRO 240 Cb 1.24 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 4tim h PRO 240 CO 0.65 0.18 0.34 1.49 -0.21 0.00 0.00 178.00 180.44 4tim h GLU 241 N 0.12 0.00 0.00 1.05 4.81 -1.97 0.28 114.58 118.87 4tim h GLU 241 Ca 0.03 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 4tim h GLU 241 Cb 0.17 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 4tim h GLU 241 CO 0.01 0.00 -0.00 0.35 -0.73 0.00 0.00 179.01 178.63 4tim h PHE 242 N 0.00 0.00 -0.19 0.92 3.57 -1.33 0.12 116.94 120.03 4tim h PHE 242 Ca 0.03 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.40 4tim h PHE 242 Cb 0.71 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 4tim h PHE 242 CO 0.00 0.00 -0.43 0.28 -2.23 0.00 0.00 178.31 175.93 4tim h VAL 243 N 0.00 1.31 -0.21 1.41 2.07 -0.66 -0.88 116.25 119.29 4tim h VAL 243 Ca -0.00 -1.60 -0.07 0.00 0.82 0.00 0.00 66.70 65.85 4tim h VAL 243 Cb 0.03 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 4tim h VAL 243 CO 0.00 0.49 -0.16 0.44 0.02 0.00 0.00 177.57 178.37 4tim h ASP 244 N 0.37 0.35 -0.34 0.57 3.32 -0.92 -2.08 116.42 117.69 4tim h ASP 244 Ca 0.03 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 56.90 4tim h ASP 244 Cb 0.91 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 4tim h ASP 244 CO 0.08 0.53 -0.13 0.40 -1.72 0.00 0.00 179.24 178.40 4tim h ILE 245 N 0.33 1.29 -0.34 0.35 2.04 -1.10 -1.79 117.51 118.29 4tim h ILE 245 Ca 0.06 -1.22 0.04 0.00 1.00 0.00 0.00 64.86 64.74 4tim h ILE 245 Cb 0.48 1.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 4tim h ILE 245 CO 0.03 0.40 0.12 0.40 0.00 0.00 0.00 178.15 179.09 4tim h ILE 246 N 0.46 0.91 -0.14 -0.67 2.04 -0.85 -1.96 117.51 117.29 4tim h ILE 246 Ca 0.08 -0.09 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 4tim h ILE 246 Cb 0.65 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 4tim h ILE 246 CO 0.04 0.05 0.08 0.11 0.00 0.00 0.00 178.15 178.43 4tim h LYS 247 N 0.26 0.19 0.00 2.37 6.56 -1.23 -1.70 116.57 123.02 4tim h LYS 247 Ca 0.15 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.73 4tim h LYS 247 Cb 0.12 -0.04 0.00 0.00 -0.57 0.00 0.00 32.23 31.74 4tim h LYS 247 CO -0.15 0.13 0.00 0.00 -2.06 0.00 0.00 179.45 177.37 4tim n ALA 248 N -2.52 1.73 0.62 3.86 0.00 -0.69 -2.40 120.51 121.11 4tim n ALA 248 Ca -0.01 -0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.43 4tim n ALA 248 Cb 0.09 -1.22 0.18 0.00 0.00 0.00 0.00 19.45 18.49 4tim n ALA 248 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 4tim n THR 249 N -1.35 0.71 0.41 0.00 -2.24 -0.64 -4.68 114.28 106.49 4tim n THR 249 Ca 0.05 -0.56 0.03 0.00 -2.27 0.00 0.00 64.05 61.31 4tim n THR 249 Cb 0.12 0.11 0.19 0.00 -2.10 0.00 0.00 70.33 68.66 4tim n THR 249 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17