#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tsa n GLU 2 N 0.00 0.00 -1.35 0.00 -0.00 -1.26 -4.21 120.64 113.81 2tsa n GLU 2 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.16 56.86 2tsa n GLU 2 Cb 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 31.44 31.48 2tsa n GLU 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2tsa s SER 4 N -0.86 -0.46 0.02 0.00 1.04 -1.26 -1.25 113.70 110.93 2tsa s SER 4 Ca 0.53 -0.04 -0.08 0.00 0.48 0.00 0.00 55.95 56.84 2tsa s SER 4 Cb 0.41 0.51 0.00 0.00 0.10 0.00 0.00 66.02 67.04 2tsa s SER 4 CO -0.12 -0.84 0.16 0.54 0.98 0.00 0.00 173.24 173.96 2tsa s VAL 5 N -3.48 0.10 -0.27 5.02 0.11 -0.38 -2.86 120.40 118.64 2tsa s VAL 5 Ca 0.03 -0.80 -0.06 0.00 -2.93 0.00 0.00 61.98 58.22 2tsa s VAL 5 Cb -0.01 -0.65 -0.00 0.00 -1.53 0.00 0.00 36.38 34.18 2tsa s VAL 5 CO -0.10 -0.44 0.05 -1.81 -3.33 0.00 0.00 175.10 169.47 2tsa s ASP 6 N -1.70 4.95 -0.07 3.54 1.11 -1.26 -1.41 116.67 121.83 2tsa s ASP 6 Ca -0.10 -0.52 0.01 0.00 0.18 0.00 0.00 52.55 52.11 2tsa s ASP 6 Cb -0.05 -1.86 -0.03 0.00 1.07 0.00 0.00 42.92 42.06 2tsa s ASP 6 CO -0.01 -0.12 -0.08 -0.63 1.18 0.00 0.00 175.17 175.51 2tsa s ILE 7 N 1.52 3.58 -0.04 0.77 1.01 0.31 -4.96 121.20 123.38 2tsa s ILE 7 Ca 0.04 -0.52 0.02 0.00 0.00 0.00 0.00 60.65 60.19 2tsa s ILE 7 Cb -0.16 -2.46 0.01 0.00 0.01 0.00 0.00 42.46 39.86 2tsa s ILE 7 CO 0.01 0.59 -0.09 0.00 0.00 0.00 0.00 174.94 175.46 2tsa s GLN 8 N -0.72 1.12 -0.19 2.79 -2.07 -1.26 -1.72 119.66 117.61 2tsa s GLN 8 Ca 0.11 -0.27 -0.07 0.00 -1.82 0.00 0.00 55.36 53.30 2tsa s GLN 8 Cb -0.11 -1.01 -0.04 0.00 -1.09 0.00 0.00 33.01 30.76 2tsa s GLN 8 CO 0.01 0.03 0.06 0.20 -1.32 0.00 0.00 175.29 174.27 2tsa s GLY 9 N 0.53 1.87 0.00 2.60 0.00 -0.52 -1.54 107.32 110.27 2tsa s GLY 9 Ca -0.09 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 43.83 2tsa s GLY 9 CO 0.01 0.12 0.00 1.16 0.00 0.00 0.00 173.10 174.39 2tsa n ASN 10 N 3.73 1.04 0.00 1.64 0.23 -0.55 -3.26 115.26 118.09 2tsa n ASN 10 Ca -0.16 -0.25 0.13 0.00 -0.53 0.00 0.00 54.58 53.76 2tsa n ASN 10 Cb 0.52 0.00 0.58 0.00 -2.08 0.00 0.00 39.78 38.80 2tsa n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2tsa n ASP 11 N -0.50 0.01 -1.65 0.53 8.00 -1.26 -3.28 116.55 118.40 2tsa n ASP 11 Ca 0.00 0.50 0.09 0.00 0.71 0.00 0.00 54.79 56.09 2tsa n ASP 11 Cb 0.00 -0.50 0.37 0.00 -0.02 0.00 0.00 41.12 40.96 2tsa n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2tsa n GLN 12 N -1.51 3.92 -2.74 -1.24 6.02 -1.26 -4.93 117.38 115.64 2tsa n GLN 12 Ca 0.07 -2.89 -0.17 0.00 -0.01 0.00 0.00 57.00 53.99 2tsa n GLN 12 Cb 0.32 -1.96 0.02 0.00 1.02 0.00 0.00 30.24 29.64 2tsa n GLN 12 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 2tsa n MET 13 N 1.05 -3.33 -4.32 -1.09 0.00 -1.20 -5.03 117.12 103.19 2tsa n MET 13 Ca 0.26 0.73 -0.20 0.00 -0.00 0.00 0.00 57.70 58.49 2tsa n MET 13 Cb 0.94 -5.16 -0.11 0.00 0.00 0.00 0.00 33.22 28.89 2tsa n MET 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 2tsa s GLN 14 N -5.31 1.25 0.23 2.12 -0.21 -1.26 -3.49 119.66 112.98 2tsa s GLN 14 Ca 0.19 -1.43 -0.02 0.00 0.02 0.00 0.00 55.36 54.12 2tsa s GLN 14 Cb -0.08 -1.20 -0.04 0.00 1.00 0.00 0.00 33.01 32.68 2tsa s GLN 14 CO 0.23 0.23 0.44 -0.06 -2.12 0.00 0.00 175.29 174.02 2tsa s PHE 15 N -2.33 3.48 -0.78 0.91 0.08 -1.26 -1.48 117.98 116.60 2tsa s PHE 15 Ca 0.17 0.43 0.26 0.00 0.12 0.00 0.00 56.93 57.90 2tsa s PHE 15 Cb -0.04 -1.93 0.93 0.00 -0.57 0.00 0.00 43.02 41.42 2tsa s PHE 15 CO 0.06 0.31 1.78 0.27 -0.10 0.00 0.00 175.22 177.54 2tsa n ASN 16 N -0.79 0.52 -3.80 1.36 6.94 -0.59 -4.75 115.26 114.15 2tsa n ASN 16 Ca -0.04 0.56 -0.13 0.00 -0.02 0.00 0.00 54.58 54.96 2tsa n ASN 16 Cb 0.54 -0.70 -0.12 0.00 -2.36 0.00 0.00 39.78 37.14 2tsa n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 2tsa s THR 17 N -3.10 0.00 -0.67 5.53 -1.32 -1.26 -5.02 115.64 109.80 2tsa s THR 17 Ca 0.10 -0.03 0.09 0.00 -1.21 0.00 0.00 61.69 60.64 2tsa s THR 17 Cb 0.13 -0.31 0.25 0.00 -1.51 0.00 0.00 72.50 71.06 2tsa s THR 17 CO 0.52 -0.02 1.20 0.59 -2.21 0.00 0.00 174.62 174.71 2tsa n ASN 18 N 2.89 2.76 -3.67 8.08 4.13 -1.26 -4.82 115.26 123.37 2tsa n ASN 18 Ca -0.13 -2.07 -0.14 0.00 1.68 0.00 0.00 54.58 53.93 2tsa n ASN 18 Cb 0.58 -0.20 -0.13 0.00 -1.54 0.00 0.00 39.78 38.49 2tsa n ASN 18 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2tsa s ALA 19 N -1.12 -0.53 -0.01 5.41 0.00 -1.26 -0.66 121.76 123.60 2tsa s ALA 19 Ca 0.19 0.91 0.07 0.00 0.00 0.00 0.00 51.96 53.13 2tsa s ALA 19 Cb 0.11 -0.98 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 2tsa s ALA 19 CO 0.12 -0.61 -0.22 0.42 0.00 0.00 0.00 175.76 175.47 2tsa s ILE 20 N 2.34 1.73 -0.13 0.00 1.01 0.11 -4.94 121.20 121.32 2tsa s ILE 20 Ca 0.01 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.69 2tsa s ILE 20 Cb -0.12 -1.44 0.02 0.00 0.01 0.00 0.00 42.46 40.93 2tsa s ILE 20 CO -0.08 0.44 -0.15 -0.89 0.00 0.00 0.00 174.94 174.26 2tsa s THR 21 N -0.56 1.54 -0.22 2.92 2.01 -1.26 -1.35 115.64 118.72 2tsa s THR 21 Ca 0.08 -0.64 -0.09 0.00 0.31 0.00 0.00 61.69 61.36 2tsa s THR 21 Cb -0.08 -1.43 -0.04 0.00 0.01 0.00 0.00 72.50 70.96 2tsa s THR 21 CO -0.00 0.45 0.10 -0.69 -0.69 0.00 0.00 174.62 173.79 2tsa s VAL 22 N 1.23 4.90 0.39 3.82 1.01 0.60 -4.95 120.40 127.41 2tsa s VAL 22 Ca -0.01 0.02 -0.23 0.00 0.00 0.00 0.00 61.98 61.76 2tsa s VAL 22 Cb -0.14 -3.26 -0.10 0.00 0.00 0.00 0.00 36.38 32.88 2tsa s VAL 22 CO -0.06 0.39 0.96 -0.62 0.00 0.00 0.00 175.10 175.77 2tsa s ASP 23 N 0.87 7.05 0.59 3.32 2.15 -1.26 -1.00 116.67 128.38 2tsa s ASP 23 Ca 0.05 1.78 0.34 0.00 0.43 0.00 0.00 52.55 55.15 2tsa s ASP 23 Cb -0.13 -2.56 1.84 0.00 -0.30 0.00 0.00 42.92 41.77 2tsa s ASP 23 CO 0.03 -0.28 2.20 0.11 -0.17 0.00 0.00 175.17 177.06 2tsa h LYS 24 N 2.41 0.00 0.00 4.34 1.57 -1.75 -2.26 116.57 120.87 2tsa h LYS 24 Ca -0.48 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.25 2tsa h LYS 24 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 2tsa h LYS 24 CO 0.62 0.04 -0.25 0.77 -0.57 0.00 0.00 179.45 180.06 2tsa h SER 25 N 0.00 0.00 -2.71 0.86 0.02 -1.92 -3.45 113.55 106.35 2tsa h SER 25 Ca -0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 2tsa h SER 25 Cb 0.17 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.73 2tsa h SER 25 CO 0.01 0.25 0.97 0.00 -1.14 0.00 0.00 176.83 176.92 2tsa h LYS 27 N 7.98 0.40 -4.94 0.00 1.63 -1.89 -3.42 116.57 116.32 2tsa h LYS 27 Ca -0.43 -0.69 -0.34 0.00 -0.85 0.00 0.00 60.65 58.34 2tsa h LYS 27 Cb 1.20 0.26 -0.22 0.00 -0.60 0.00 0.00 32.23 32.87 2tsa h LYS 27 CO 0.93 1.32 -0.76 -0.65 -3.45 0.00 0.00 179.45 176.83 2tsa s GLN 28 N -2.62 0.67 0.01 1.90 -0.21 -1.26 -1.56 119.66 116.60 2tsa s GLN 28 Ca -0.08 -0.84 0.06 0.00 0.02 0.00 0.00 55.36 54.52 2tsa s GLN 28 Cb 0.05 -0.56 -0.02 0.00 1.00 0.00 0.00 33.01 33.49 2tsa s GLN 28 CO 0.90 0.12 -0.19 0.12 -2.12 0.00 0.00 175.29 174.12 2tsa s PHE 29 N -1.29 1.66 0.01 0.91 5.36 -0.81 -4.82 117.98 119.00 2tsa s PHE 29 Ca -0.06 -0.34 0.08 0.00 -0.96 0.00 0.00 56.93 55.65 2tsa s PHE 29 Cb -0.10 -1.03 -0.02 0.00 -0.34 0.00 0.00 43.02 41.53 2tsa s PHE 29 CO 0.01 0.02 -0.24 0.99 -1.46 0.00 0.00 175.22 174.55 2tsa s THR 30 N -0.61 1.87 -0.10 0.12 2.01 -0.38 -1.16 115.64 117.40 2tsa s THR 30 Ca 0.07 -1.12 0.02 0.00 0.31 0.00 0.00 61.69 60.96 2tsa s THR 30 Cb -0.08 -1.58 0.01 0.00 0.01 0.00 0.00 72.50 70.87 2tsa s THR 30 CO 0.00 0.43 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.53 2tsa s VAL 31 N -0.65 1.36 -0.27 3.82 1.01 -0.23 -1.25 120.40 124.19 2tsa s VAL 31 Ca 0.09 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 2tsa s VAL 31 Cb -0.09 -1.25 -0.00 0.00 0.00 0.00 0.00 36.38 35.04 2tsa s VAL 31 CO 0.00 0.41 0.05 0.20 0.00 0.00 0.00 175.10 175.76 2tsa s ASN 32 N 0.94 4.95 -0.06 3.32 0.01 -0.50 -1.84 114.94 121.76 2tsa s ASN 32 Ca -0.08 -0.57 -0.04 0.00 -0.71 0.00 0.00 52.86 51.46 2tsa s ASN 32 Cb -0.15 -1.85 -0.04 0.00 0.41 0.00 0.00 41.25 39.62 2tsa s ASN 32 CO -0.00 -0.13 0.16 -0.22 -1.51 0.00 0.00 177.10 175.40 2tsa s LEU 33 N 1.51 4.36 0.14 0.60 2.96 0.45 -0.53 118.68 128.16 2tsa s LEU 33 Ca 0.04 0.39 -0.04 0.00 -0.22 0.00 0.00 54.13 54.30 2tsa s LEU 33 Cb -0.16 -2.37 -0.03 0.00 0.50 0.00 0.00 46.19 44.13 2tsa s LEU 33 CO 0.01 0.32 0.14 -0.55 -1.32 0.00 0.00 176.35 174.95 2tsa s SER 34 N -1.55 0.22 -0.42 3.68 0.15 -0.70 -2.26 113.70 112.82 2tsa s SER 34 Ca 0.22 -1.08 0.02 0.00 0.70 0.00 0.00 55.95 55.80 2tsa s SER 34 Cb -0.12 0.34 0.14 0.00 -1.71 0.00 0.00 66.02 64.67 2tsa s SER 34 CO 0.12 -0.79 0.24 -2.28 1.20 0.00 0.00 173.24 171.74 2tsa s HIS 35 N -4.02 1.73 -1.62 3.44 2.46 -1.19 -1.43 115.29 114.65 2tsa s HIS 35 Ca 0.21 -2.27 0.09 0.00 0.47 0.00 0.00 55.06 53.56 2tsa s HIS 35 Cb 0.06 -1.68 0.48 0.00 -0.13 0.00 0.00 32.58 31.32 2tsa s HIS 35 CO 0.01 -0.79 1.11 -0.35 -2.47 0.00 0.00 174.74 172.25 2tsa n PRO 36 N 3.61 0.18 0.00 2.88 -0.04 -1.20 -2.61 135.00 137.81 2tsa n PRO 36 Ca 0.10 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 2tsa n PRO 36 Cb 0.35 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.31 2tsa n PRO 36 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2tsa n GLY 37 N -0.49 0.90 0.82 0.55 0.00 -1.26 -4.91 105.19 100.79 2tsa n GLY 37 Ca 0.05 -1.40 0.01 0.00 0.00 0.00 0.00 46.02 44.67 2tsa n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2tsa n ASN 38 N 0.00 0.20 -4.91 1.61 6.94 -1.26 -4.55 115.26 113.29 2tsa n ASN 38 Ca 0.00 -1.86 -0.31 0.00 -0.02 0.00 0.00 54.58 52.39 2tsa n ASN 38 Cb 0.00 -0.16 -0.04 0.00 -2.36 0.00 0.00 39.78 37.22 2tsa n ASN 38 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2tsa s LEU 39 N 0.00 4.35 0.92 -4.53 1.43 -1.26 -4.93 118.68 114.65 2tsa s LEU 39 Ca 0.10 0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 53.41 2tsa s LEU 39 Cb 0.11 -2.98 0.14 0.00 0.03 0.00 0.00 46.19 43.49 2tsa s LEU 39 CO -0.05 0.16 1.11 -2.16 0.23 0.00 0.00 176.35 175.64 2tsa s PRO 40 N -2.46 1.08 0.36 1.29 0.04 -1.26 -1.75 135.00 132.30 2tsa s PRO 40 Ca 0.35 0.51 0.07 0.00 0.04 0.00 0.00 61.00 61.98 2tsa s PRO 40 Cb -0.13 -1.81 0.70 0.00 0.04 0.00 0.00 34.50 33.30 2tsa s PRO 40 CO 0.26 -2.29 1.89 -0.22 0.04 0.00 0.00 177.00 176.69 2tsa h LYS 41 N -1.57 0.34 0.00 4.56 3.64 -1.86 0.37 116.57 122.06 2tsa h LYS 41 Ca -0.51 -0.08 -0.12 0.00 -1.27 0.00 0.00 60.65 58.67 2tsa h LYS 41 Cb 1.31 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.07 2tsa h LYS 41 CO 0.59 0.45 -0.56 -2.95 -2.27 0.00 0.00 179.45 174.71 2tsa h ASN 42 N 0.33 0.00 0.00 4.20 7.08 -1.95 -1.84 115.58 123.40 2tsa h ASN 42 Ca 0.07 0.00 -0.22 0.00 -3.08 0.00 0.00 56.30 53.06 2tsa h ASN 42 Cb 0.38 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.59 2tsa h ASN 42 CO 0.02 0.56 -1.30 0.52 -2.08 0.00 0.00 177.43 175.15 2tsa n VAL 43 N -3.50 1.52 -2.67 6.14 0.31 -1.11 -4.78 118.33 114.24 2tsa n VAL 43 Ca 0.00 -0.03 -0.14 0.00 -0.01 0.00 0.00 64.34 64.16 2tsa n VAL 43 Cb 0.65 -2.07 0.02 0.00 -0.91 0.00 0.00 33.84 31.53 2tsa n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2tsa n MET 44 N -4.44 1.64 -2.79 5.55 1.56 0.10 -5.04 117.12 113.71 2tsa n MET 44 Ca -0.31 -3.55 -0.36 0.00 -0.27 0.00 0.00 57.70 53.20 2tsa n MET 44 Cb 0.65 -1.51 -0.07 0.00 2.15 0.00 0.00 33.22 34.45 2tsa n MET 44 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 2tsa s GLY 45 N -3.16 2.72 -0.01 -5.12 0.00 -0.69 -4.76 107.32 96.30 2tsa s GLY 45 Ca 0.33 0.50 0.06 0.00 0.00 0.00 0.00 44.72 45.60 2tsa s GLY 45 CO -0.02 0.91 -0.18 0.30 0.00 0.00 0.00 173.10 174.11 2tsa s HIS 46 N -1.73 1.59 0.39 1.90 3.76 -0.80 -4.62 115.29 115.78 2tsa s HIS 46 Ca 0.53 -0.31 0.04 0.00 -0.15 0.00 0.00 55.06 55.16 2tsa s HIS 46 Cb -0.17 -1.01 -0.04 0.00 1.11 0.00 0.00 32.58 32.47 2tsa s HIS 46 CO 0.22 -0.01 0.07 0.54 -0.85 0.00 0.00 174.74 174.71 2tsa s ASN 47 N -0.53 2.89 -0.16 1.40 2.20 -1.26 -1.36 114.94 118.12 2tsa s ASN 47 Ca 0.07 -1.53 0.00 0.00 -0.94 0.00 0.00 52.86 50.46 2tsa s ASN 47 Cb -0.07 0.19 0.03 0.00 -2.00 0.00 0.00 41.25 39.41 2tsa s ASN 47 CO -0.00 -0.75 -0.09 0.86 -2.94 0.00 0.00 177.10 174.18 2tsa s TRP 48 N -3.16 1.93 -0.02 1.54 -0.00 -1.26 -3.96 118.94 113.99 2tsa s TRP 48 Ca 0.27 -1.15 0.04 0.00 -0.00 0.00 0.00 56.10 55.26 2tsa s TRP 48 Cb 0.06 -1.44 -0.00 0.00 -0.00 0.00 0.00 33.47 32.08 2tsa s TRP 48 CO 0.14 -0.63 -0.13 0.08 -0.00 0.00 0.00 176.95 176.40 2tsa s VAL 49 N 1.56 1.08 -0.04 5.86 1.01 -0.21 -1.17 120.40 128.49 2tsa s VAL 49 Ca 0.02 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.52 2tsa s VAL 49 Cb -0.14 -0.93 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 2tsa s VAL 49 CO -0.09 0.32 -0.24 -0.22 0.00 0.00 0.00 175.10 174.87 2tsa s LEU 50 N -0.05 2.16 0.25 3.92 2.96 -0.40 -1.45 118.68 126.08 2tsa s LEU 50 Ca -0.00 -0.45 -0.15 0.00 -0.22 0.00 0.00 54.13 53.31 2tsa s LEU 50 Cb -0.08 -1.39 0.00 0.00 0.50 0.00 0.00 46.19 45.22 2tsa s LEU 50 CO 0.01 0.28 0.53 -0.94 -1.32 0.00 0.00 176.35 174.91 2tsa s SER 51 N -0.38 -0.13 0.64 3.68 1.04 -0.72 -0.16 113.70 117.66 2tsa s SER 51 Ca 0.03 -0.85 -0.17 0.00 0.48 0.00 0.00 55.95 55.44 2tsa s SER 51 Cb -0.12 0.62 -0.01 0.00 0.10 0.00 0.00 66.02 66.61 2tsa s SER 51 CO 0.02 -1.18 1.18 0.42 0.98 0.00 0.00 173.24 174.65 2tsa s THR 52 N -3.99 2.72 0.36 2.02 -4.23 -1.26 -0.53 115.64 110.73 2tsa s THR 52 Ca 0.19 0.40 0.10 0.00 -1.18 0.00 0.00 61.69 61.21 2tsa s THR 52 Cb -0.02 -3.05 0.33 0.00 1.34 0.00 0.00 72.50 71.10 2tsa s THR 52 CO 0.08 -0.14 1.85 0.00 -0.54 0.00 0.00 174.62 175.87 2tsa h ALA 53 N 0.45 1.88 -0.94 3.99 0.00 -0.50 -1.18 119.26 122.97 2tsa h ALA 53 Ca -0.49 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.46 2tsa h ALA 53 Cb 1.28 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 2tsa h ALA 53 CO 0.54 -0.15 0.62 0.00 0.00 0.00 0.00 179.25 180.26 2tsa h ALA 54 N 1.61 1.35 -0.00 0.00 0.00 -1.90 -3.08 119.26 117.24 2tsa h ALA 54 Ca 0.47 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2tsa h ALA 54 Cb 0.84 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2tsa h ALA 54 CO -0.23 0.59 -0.23 -0.25 0.00 0.00 0.00 179.25 179.14 2tsa n ASP 55 N -4.41 0.54 -0.31 0.00 8.00 -0.46 -4.43 116.55 115.48 2tsa n ASP 55 Ca 0.11 -0.41 0.08 0.00 0.71 0.00 0.00 54.79 55.28 2tsa n ASP 55 Cb 0.04 -0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.43 2tsa n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 2tsa h MET 56 N 0.49 0.86 -0.48 -1.24 4.05 -1.41 -2.60 114.93 114.60 2tsa h MET 56 Ca 0.00 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.34 2tsa h MET 56 Cb 0.45 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 31.03 2tsa h MET 56 CO 0.00 0.57 0.18 0.37 0.23 0.00 0.00 176.91 178.26 2tsa h GLN 57 N 0.89 0.73 -0.40 0.39 4.15 -1.82 -1.65 115.11 117.40 2tsa h GLN 57 Ca 0.46 -0.14 -0.04 0.00 0.77 0.00 0.00 58.65 59.69 2tsa h GLN 57 Cb 0.51 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.07 2tsa h GLN 57 CO -0.22 0.66 0.08 0.78 -1.93 0.00 0.00 178.83 178.21 2tsa h GLY 58 N 0.64 0.71 0.84 2.39 0.00 -1.78 0.69 103.07 106.56 2tsa h GLY 58 Ca 0.16 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 2tsa h GLY 58 CO -0.01 0.43 -0.26 -2.08 0.00 0.00 0.00 176.54 174.62 2tsa h VAL 59 N 0.52 0.42 -0.96 4.60 2.07 -1.49 0.27 116.25 121.68 2tsa h VAL 59 Ca 0.13 -0.25 0.11 0.00 0.82 0.00 0.00 66.70 67.50 2tsa h VAL 59 Cb 0.34 0.52 -0.08 0.00 -1.52 0.00 0.00 31.29 30.56 2tsa h VAL 59 CO 0.00 0.04 0.61 0.58 0.02 0.00 0.00 177.57 178.82 2tsa h VAL 60 N -0.88 0.94 0.35 2.57 2.07 -1.27 0.42 116.25 120.44 2tsa h VAL 60 Ca -0.07 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 2tsa h VAL 60 Cb 0.61 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2tsa h VAL 60 CO 0.12 0.17 -0.17 0.74 0.02 0.00 0.00 177.57 178.45 2tsa h THR 61 N 0.94 0.50 -0.74 2.57 2.02 -0.55 -2.31 112.91 115.33 2tsa h THR 61 Ca 0.46 -0.69 0.08 0.00 0.77 0.00 0.00 66.41 67.03 2tsa h THR 61 Cb 0.46 0.77 -0.05 0.00 -1.74 0.00 0.00 68.15 67.59 2tsa h THR 61 CO -0.22 0.10 0.49 0.44 0.37 0.00 0.00 175.52 176.70 2tsa h ASP 62 N -0.93 0.63 0.24 4.18 5.19 -0.34 -2.95 116.42 122.45 2tsa h ASP 62 Ca -0.05 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 2tsa h ASP 62 Cb 0.53 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 39.92 2tsa h ASP 62 CO 0.08 0.39 -0.12 1.23 -3.12 0.00 0.00 179.24 177.70 2tsa h GLY 63 N 0.70 -0.34 2.00 2.75 0.00 -0.13 -2.69 103.07 105.37 2tsa h GLY 63 Ca 0.33 0.13 -0.00 0.00 0.00 0.00 0.00 47.33 47.79 2tsa h GLY 63 CO -0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 176.54 176.29 2tsa h MET 64 N -0.62 0.00 0.00 4.80 -0.00 -1.28 -0.15 114.93 117.69 2tsa h MET 64 Ca -0.03 0.00 -0.11 0.00 -0.00 0.00 0.00 59.70 59.56 2tsa h MET 64 Cb 0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.03 2tsa h MET 64 CO 0.05 0.01 -0.52 0.00 -0.00 0.00 0.00 176.91 176.46 2tsa h ALA 65 N 1.99 1.07 -0.07 -3.00 0.00 -1.34 -3.29 119.26 114.63 2tsa h ALA 65 Ca -0.00 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 2tsa h ALA 65 Cb 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2tsa h ALA 65 CO 0.00 0.65 -0.50 0.77 0.00 0.00 0.00 179.25 180.17 2tsa h SER 66 N 0.00 0.19 -4.70 0.00 0.02 -0.69 -3.50 113.55 104.88 2tsa h SER 66 Ca -0.01 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2tsa h SER 66 Cb 0.96 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.44 2tsa h SER 66 CO 0.07 0.66 0.00 0.61 -1.14 0.00 0.00 176.83 177.03 2tsa n GLY 67 N -0.01 0.66 0.28 -3.77 0.00 -1.23 -4.40 105.19 96.72 2tsa n GLY 67 Ca -0.02 -1.78 0.04 0.00 0.00 0.00 0.00 46.02 44.25 2tsa n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2tsa h LEU 68 N 0.00 0.47 -2.42 0.99 5.85 -1.93 0.23 115.31 118.50 2tsa h LEU 68 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2tsa h LEU 68 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2tsa h LEU 68 CO 0.00 0.24 0.02 -2.24 -0.34 0.00 0.00 178.44 176.11 2tsa h ASP 69 N 0.60 0.00 0.00 1.25 2.03 -2.03 -0.67 116.42 117.60 2tsa h ASP 69 Ca 0.39 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.68 2tsa h ASP 69 Cb 0.48 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 38.96 2tsa h ASP 69 CO -0.31 0.00 -0.44 0.29 -1.03 0.00 0.00 179.24 177.75 2tsa n LYS 70 N -2.79 1.39 -2.41 4.15 5.02 0.66 -4.95 118.16 119.23 2tsa n LYS 70 Ca -0.02 -3.04 -0.11 0.00 -2.02 0.00 0.00 58.31 53.12 2tsa n LYS 70 Cb 0.07 -1.47 -0.01 0.00 -0.02 0.00 0.00 35.03 33.61 2tsa n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2tsa n ASP 71 N -1.05 -3.46 -4.02 4.39 8.00 -0.26 -1.48 116.55 118.67 2tsa n ASP 71 Ca 0.17 0.24 -0.27 0.00 0.71 0.00 0.00 54.79 55.64 2tsa n ASP 71 Cb 0.71 -2.97 -0.03 0.00 -0.02 0.00 0.00 41.12 38.81 2tsa n ASP 71 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2tsa n TYR 72 N -3.21 -1.64 -3.87 1.24 4.01 -0.25 -4.81 117.16 108.63 2tsa n TYR 72 Ca -0.12 0.75 -0.15 0.00 -0.16 0.00 0.00 57.90 58.21 2tsa n TYR 72 Cb 0.59 -3.57 -0.16 0.00 -0.31 0.00 0.00 39.34 35.89 2tsa n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2tsa s LEU 73 N -7.04 1.36 -0.06 7.72 1.43 -0.55 -4.11 118.68 117.43 2tsa s LEU 73 Ca 0.11 0.00 -0.29 0.00 -1.03 0.00 0.00 54.13 52.92 2tsa s LEU 73 Cb -0.06 -0.12 -0.07 0.00 0.03 0.00 0.00 46.19 45.98 2tsa s LEU 73 CO 0.90 -0.08 1.89 -0.75 0.23 0.00 0.00 176.35 178.54 2tsa s LYS 74 N 0.75 3.94 0.32 1.70 2.20 -1.26 -4.89 119.74 122.50 2tsa s LYS 74 Ca -0.07 2.29 -0.29 0.00 -0.36 0.00 0.00 55.97 57.54 2tsa s LYS 74 Cb -0.10 -4.14 -0.11 0.00 -1.51 0.00 0.00 37.83 31.97 2tsa s LYS 74 CO -0.02 -1.17 1.55 -1.25 -0.36 0.00 0.00 175.35 174.10 2tsa s PRO 75 N 4.71 4.13 -1.52 4.03 0.04 -1.26 -1.78 135.00 143.35 2tsa s PRO 75 Ca 0.85 2.55 -0.05 0.00 0.04 0.00 0.00 61.00 64.39 2tsa s PRO 75 Cb -0.36 -3.01 0.01 0.00 0.04 0.00 0.00 34.50 31.17 2tsa s PRO 75 CO 0.36 -0.58 0.63 -0.25 0.04 0.00 0.00 177.00 177.20 2tsa n ASP 76 N 1.65 -6.09 -4.69 6.66 8.00 -1.26 -4.91 116.55 115.92 2tsa n ASP 76 Ca 0.06 -0.30 -0.42 0.00 0.71 0.00 0.00 54.79 54.84 2tsa n ASP 76 Cb 0.38 -4.89 -0.03 0.00 -0.02 0.00 0.00 41.12 36.57 2tsa n ASP 76 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2tsa s ASP 77 N -2.75 7.03 0.31 -2.24 -1.08 -0.73 -4.89 116.67 112.32 2tsa s ASP 77 Ca 0.31 1.85 0.25 0.00 -0.52 0.00 0.00 52.55 54.44 2tsa s ASP 77 Cb -0.14 -2.56 0.68 0.00 -1.46 0.00 0.00 42.92 39.45 2tsa s ASP 77 CO 0.39 -0.60 1.72 0.77 0.52 0.00 0.00 175.17 177.97 2tsa h SER 78 N 7.50 0.00 1.41 -0.34 4.64 -1.91 -3.17 113.55 121.67 2tsa h SER 78 Ca -0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2tsa h SER 78 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2tsa h SER 78 CO 0.88 0.00 -0.10 0.03 -0.87 0.00 0.00 176.83 176.77 2tsa h ARG 79 N 0.00 0.00 -6.54 4.77 3.08 -1.97 -3.44 114.38 110.28 2tsa h ARG 79 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 2tsa h ARG 79 Cb 0.79 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.78 2tsa h ARG 79 CO 0.00 0.00 0.98 0.08 -1.07 0.00 0.00 179.97 179.96 2tsa s VAL 80 N -3.12 4.11 0.20 2.04 1.01 -1.20 -4.53 120.40 118.90 2tsa s VAL 80 Ca 0.10 1.17 0.04 0.00 0.00 0.00 0.00 61.98 63.29 2tsa s VAL 80 Cb 0.12 -4.35 -0.10 0.00 0.00 0.00 0.00 36.38 32.04 2tsa s VAL 80 CO 0.62 -0.77 1.46 0.40 0.00 0.00 0.00 175.10 176.81 2tsa h ILE 81 N 6.22 1.47 -1.53 2.22 2.04 -0.85 -3.48 117.51 123.60 2tsa h ILE 81 Ca -0.25 -2.39 0.20 0.00 1.00 0.00 0.00 64.86 63.42 2tsa h ILE 81 Cb 1.08 2.29 -0.21 0.00 -0.74 0.00 0.00 36.82 39.25 2tsa h ILE 81 CO 1.09 0.70 0.74 0.00 0.00 0.00 0.00 178.15 180.68 2tsa s ALA 82 N -3.41 -2.02 0.02 1.87 0.00 -1.25 -4.99 121.76 111.98 2tsa s ALA 82 Ca -0.03 1.57 -0.28 0.00 0.00 0.00 0.00 51.96 53.22 2tsa s ALA 82 Cb 0.11 -0.39 0.10 0.00 0.00 0.00 0.00 23.12 22.94 2tsa s ALA 82 CO 0.81 -0.49 0.94 -3.38 0.00 0.00 0.00 175.76 173.63 2tsa s HIS 83 N -2.04 -0.27 0.00 0.00 -3.43 -1.26 -1.27 115.29 107.02 2tsa s HIS 83 Ca 0.07 0.11 0.00 0.00 -0.80 0.00 0.00 55.06 54.43 2tsa s HIS 83 Cb -0.01 0.56 0.00 0.00 -1.43 0.00 0.00 32.58 31.70 2tsa s HIS 83 CO -0.05 -0.57 0.00 0.25 -2.00 0.00 0.00 174.74 172.37 2tsa n THR 84 N -0.29 0.00 -2.65 -5.38 -2.24 -0.32 -4.82 114.28 98.59 2tsa n THR 84 Ca -0.08 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.49 2tsa n THR 84 Cb 0.61 -0.64 0.05 0.00 -2.10 0.00 0.00 70.33 68.25 2tsa n THR 84 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2tsa s LYS 85 N -1.60 2.35 -0.12 -0.78 1.02 -1.26 -4.70 119.74 114.65 2tsa s LYS 85 Ca 0.00 -0.90 -0.15 0.00 0.02 0.00 0.00 55.97 54.94 2tsa s LYS 85 Cb 0.00 -2.47 -0.05 0.00 -0.52 0.00 0.00 37.83 34.80 2tsa s LYS 85 CO 0.00 -0.87 0.35 -1.17 -0.92 0.00 0.00 175.35 172.75 2tsa s LEU 86 N -4.83 4.30 0.20 3.17 2.96 -1.26 -4.47 118.68 118.75 2tsa s LEU 86 Ca 0.59 0.67 0.08 0.00 -0.22 0.00 0.00 54.13 55.25 2tsa s LEU 86 Cb -0.09 -2.48 -0.05 0.00 0.50 0.00 0.00 46.19 44.07 2tsa s LEU 86 CO 0.40 0.13 -0.15 0.27 -1.32 0.00 0.00 176.35 175.68 2tsa s ILE 87 N 0.14 1.72 0.57 6.68 -4.36 -0.47 -4.85 121.20 120.64 2tsa s ILE 87 Ca 0.20 -2.16 0.07 0.00 -0.26 0.00 0.00 60.65 58.49 2tsa s ILE 87 Cb -0.14 -2.00 0.07 0.00 1.25 0.00 0.00 42.46 41.63 2tsa s ILE 87 CO 0.07 -0.57 0.55 0.61 0.24 0.00 0.00 174.94 175.84 2tsa n GLY 88 N -0.28 2.49 3.71 6.27 0.00 -1.26 -1.91 105.19 114.22 2tsa n GLY 88 Ca -0.09 -2.28 -0.41 0.00 0.00 0.00 0.00 46.02 43.24 2tsa n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2tsa n SER 89 N -1.98 2.72 0.00 1.61 3.41 -0.72 -2.15 113.62 116.52 2tsa n SER 89 Ca 0.04 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.77 2tsa n SER 89 Cb 0.63 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.07 2tsa n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2tsa n GLY 90 N 0.76 3.03 3.94 5.00 0.00 -1.07 -4.95 105.19 111.90 2tsa n GLY 90 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 2tsa n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2tsa s GLU 91 N -0.28 2.59 0.10 1.61 2.02 -0.91 -4.93 118.70 118.90 2tsa s GLU 91 Ca 0.00 -0.37 -0.07 0.00 0.02 0.00 0.00 54.97 54.55 2tsa s GLU 91 Cb 0.00 -2.34 -0.01 0.00 0.10 0.00 0.00 34.13 31.88 2tsa s GLU 91 CO 0.00 -0.83 0.17 0.15 0.02 0.00 0.00 175.26 174.77 2tsa s LYS 92 N -4.95 0.87 -0.06 1.61 1.02 -1.26 -3.20 119.74 113.76 2tsa s LYS 92 Ca 0.56 -1.05 -0.29 0.00 0.02 0.00 0.00 55.97 55.20 2tsa s LYS 92 Cb -0.10 0.32 0.11 0.00 -0.52 0.00 0.00 37.83 37.64 2tsa s LYS 92 CO 0.42 -0.27 0.89 0.34 -0.92 0.00 0.00 175.35 175.81 2tsa s ASP 93 N -2.90 -0.42 0.07 2.83 2.15 -0.96 -5.01 116.67 112.43 2tsa s ASP 93 Ca 0.08 0.25 0.01 0.00 0.43 0.00 0.00 52.55 53.33 2tsa s ASP 93 Cb 0.05 0.38 -0.03 0.00 -0.30 0.00 0.00 42.92 43.02 2tsa s ASP 93 CO -0.08 -0.53 -0.06 -0.44 -0.17 0.00 0.00 175.17 173.89 2tsa s SER 94 N -1.79 0.88 -0.00 -0.34 0.01 -1.26 -0.41 113.70 110.78 2tsa s SER 94 Ca 0.00 -0.82 -0.01 0.00 1.31 0.00 0.00 55.95 56.43 2tsa s SER 94 Cb -0.01 0.09 -0.00 0.00 0.21 0.00 0.00 66.02 66.31 2tsa s SER 94 CO -0.03 -0.39 0.02 0.54 0.41 0.00 0.00 173.24 173.79 2tsa s VAL 95 N -2.77 0.03 -0.02 3.43 0.11 -0.77 -4.92 120.40 115.49 2tsa s VAL 95 Ca 0.02 -0.28 0.06 0.00 -2.93 0.00 0.00 61.98 58.85 2tsa s VAL 95 Cb -0.00 -0.12 -0.01 0.00 -1.53 0.00 0.00 36.38 34.71 2tsa s VAL 95 CO -0.04 -0.15 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.49 2tsa s THR 96 N -0.45 1.61 0.06 5.04 2.01 -1.26 -1.07 115.64 121.58 2tsa s THR 96 Ca -0.05 -0.86 -0.03 0.00 0.31 0.00 0.00 61.69 61.06 2tsa s THR 96 Cb -0.03 -1.34 -0.03 0.00 0.01 0.00 0.00 72.50 71.11 2tsa s THR 96 CO -0.00 0.45 0.03 0.72 -0.69 0.00 0.00 174.62 175.13 2tsa s PHE 97 N -0.40 0.44 0.01 4.92 -0.71 -0.30 -4.96 117.98 116.98 2tsa s PHE 97 Ca 0.06 -0.96 -0.29 0.00 -1.04 0.00 0.00 56.93 54.70 2tsa s PHE 97 Cb -0.09 -0.31 -0.04 0.00 -1.21 0.00 0.00 43.02 41.38 2tsa s PHE 97 CO -0.00 -0.43 0.92 -0.51 -1.34 0.00 0.00 175.22 173.86 2tsa s ASP 98 N -2.91 7.33 0.35 1.98 1.01 -1.26 -1.93 116.67 121.24 2tsa s ASP 98 Ca 0.07 1.60 0.25 0.00 0.71 0.00 0.00 52.55 55.19 2tsa s ASP 98 Cb 0.07 -2.54 1.24 0.00 1.01 0.00 0.00 42.92 42.70 2tsa s ASP 98 CO -0.10 -0.18 1.77 0.58 0.21 0.00 0.00 175.17 177.45 2tsa h VAL 99 N 4.60 0.00 0.00 -1.27 2.07 -1.54 -0.19 116.25 119.92 2tsa h VAL 99 Ca -0.42 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 66.99 2tsa h VAL 99 Cb 1.21 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 2tsa h VAL 99 CO 0.74 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 176.79 2tsa n SER 100 N -2.39 0.43 0.08 0.57 3.41 -1.26 -1.59 113.62 112.87 2tsa n SER 100 Ca -0.00 0.61 0.13 0.00 -0.26 0.00 0.00 58.87 59.34 2tsa n SER 100 Cb 0.13 -0.70 0.41 0.00 -0.26 0.00 0.00 64.21 63.79 2tsa n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2tsa n LYS 101 N -1.97 0.22 -4.18 4.33 4.76 -0.08 -4.86 118.16 116.37 2tsa n LYS 101 Ca 0.03 0.16 -0.22 0.00 -2.87 0.00 0.00 58.31 55.41 2tsa n LYS 101 Cb 0.21 -1.74 -0.06 0.00 -1.84 0.00 0.00 35.03 31.60 2tsa n LYS 101 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2tsa s LEU 102 N -4.22 3.52 0.03 -0.35 1.43 -0.62 -5.13 118.68 113.35 2tsa s LEU 102 Ca 0.11 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 2tsa s LEU 102 Cb 0.14 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 2tsa s LEU 102 CO 0.60 -0.04 -0.06 -1.59 0.23 0.00 0.00 176.35 175.49 2tsa s LYS 103 N -3.78 0.46 0.26 1.70 -2.85 -1.26 -5.02 119.74 109.25 2tsa s LYS 103 Ca 0.33 -0.71 -0.29 0.00 -1.00 0.00 0.00 55.97 54.30 2tsa s LYS 103 Cb -0.07 -0.16 -0.10 0.00 -2.06 0.00 0.00 37.83 35.44 2tsa s LYS 103 CO 0.23 0.02 1.29 -2.00 0.10 0.00 0.00 175.35 174.98 2tsa s GLU 104 N -1.53 4.41 0.00 1.78 2.12 -1.26 -2.85 118.70 121.36 2tsa s GLU 104 Ca -0.12 2.09 0.00 0.00 0.36 0.00 0.00 54.97 57.31 2tsa s GLU 104 Cb -0.10 -3.14 0.00 0.00 0.26 0.00 0.00 34.13 31.15 2tsa s GLU 104 CO -0.00 -0.17 0.00 0.41 -0.54 0.00 0.00 175.26 174.96 2tsa n GLY 105 N 1.60 2.49 3.90 -1.50 0.00 -1.26 -5.05 105.19 105.37 2tsa n GLY 105 Ca 0.03 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.73 2tsa n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2tsa s GLU 106 N 0.00 3.64 -0.16 1.61 2.12 -1.13 -5.09 118.70 119.69 2tsa s GLU 106 Ca 0.00 0.08 -0.02 0.00 0.36 0.00 0.00 54.97 55.39 2tsa s GLU 106 Cb 0.00 -2.58 -0.02 0.00 0.26 0.00 0.00 34.13 31.79 2tsa s GLU 106 CO 0.00 0.13 -0.08 -1.14 -0.54 0.00 0.00 175.26 173.63 2tsa s GLN 107 N -3.77 3.50 0.30 4.30 0.74 -1.26 -4.74 119.66 118.73 2tsa s GLN 107 Ca 0.45 -0.61 0.11 0.00 0.05 0.00 0.00 55.36 55.36 2tsa s GLN 107 Cb -0.10 -2.82 -0.05 0.00 1.10 0.00 0.00 33.01 31.13 2tsa s GLN 107 CO 0.32 0.15 -0.14 0.71 -0.55 0.00 0.00 175.29 175.78 2tsa s TYR 108 N 0.57 2.38 0.05 1.67 2.02 -1.15 0.19 117.35 123.07 2tsa s TYR 108 Ca -0.05 -0.38 0.03 0.00 -0.37 0.00 0.00 57.07 56.30 2tsa s TYR 108 Cb -0.15 -1.16 -0.02 0.00 -0.40 0.00 0.00 41.96 40.22 2tsa s TYR 108 CO 0.03 0.65 -0.10 -1.64 -1.57 0.00 0.00 175.55 172.92 2tsa s MET 109 N -3.57 0.66 0.03 -0.62 -1.94 0.31 -2.74 119.30 111.42 2tsa s MET 109 Ca 0.31 -0.77 0.06 0.00 -1.71 0.00 0.00 55.69 53.58 2tsa s MET 109 Cb -0.02 -0.54 -0.03 0.00 2.01 0.00 0.00 34.83 36.24 2tsa s MET 109 CO 0.16 0.12 -0.16 -0.59 -0.01 0.00 0.00 175.02 174.53 2tsa s PHE 110 N -1.18 2.61 0.17 -0.03 -0.12 -0.44 -1.75 117.98 117.23 2tsa s PHE 110 Ca -0.05 -0.23 -0.24 0.00 -0.05 0.00 0.00 56.93 56.36 2tsa s PHE 110 Cb -0.09 -1.50 0.06 0.00 -0.63 0.00 0.00 43.02 40.86 2tsa s PHE 110 CO 0.01 0.25 0.83 -0.59 -0.05 0.00 0.00 175.22 175.67 2tsa s PHE 111 N -0.91 -0.23 -0.16 3.49 -0.71 -0.53 0.18 117.98 119.11 2tsa s PHE 111 Ca 0.15 -0.08 -0.07 0.00 -1.04 0.00 0.00 56.93 55.88 2tsa s PHE 111 Cb -0.11 0.64 -0.04 0.00 -1.21 0.00 0.00 43.02 42.30 2tsa s PHE 111 CO 0.05 -0.91 0.09 0.00 -1.34 0.00 0.00 175.22 173.10 2tsa n THR 113 N 3.07 0.94 -2.26 0.00 -2.24 -1.26 -3.07 114.28 109.46 2tsa n THR 113 Ca -0.17 -0.95 -0.42 0.00 -2.27 0.00 0.00 64.05 60.24 2tsa n THR 113 Cb 0.53 0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 69.22 2tsa n THR 113 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 2tsa s PHE 114 N -1.06 3.31 -0.23 4.78 2.19 -1.26 -4.13 117.98 121.59 2tsa s PHE 114 Ca 0.48 1.08 -0.20 0.00 0.33 0.00 0.00 56.93 58.61 2tsa s PHE 114 Cb 0.25 -3.58 -0.09 0.00 -1.31 0.00 0.00 43.02 38.29 2tsa s PHE 114 CO 0.33 -1.97 0.95 -2.30 1.83 0.00 0.00 175.22 174.05 2tsa n PRO 115 N 3.97 0.00 0.00 10.12 -0.02 -1.26 -1.70 135.00 146.11 2tsa n PRO 115 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2tsa n PRO 115 Cb 0.44 -0.69 0.00 0.00 -0.02 0.00 0.00 33.50 33.23 2tsa n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2tsa n GLY 116 N 3.23 2.90 0.29 -1.23 0.00 -1.26 -4.90 105.19 104.22 2tsa n GLY 116 Ca 0.24 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.28 2tsa n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2tsa h HIS 117 N 0.00 0.52 0.00 1.61 3.86 -1.60 -3.02 115.15 116.52 2tsa h HIS 117 Ca 0.00 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2tsa h HIS 117 Cb 0.00 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.31 2tsa h HIS 117 CO 0.00 0.43 0.00 -1.13 0.86 0.00 0.00 177.93 178.09 2tsa n SER 118 N -4.37 0.00 0.11 2.45 3.41 -1.18 -0.31 113.62 113.74 2tsa n SER 118 Ca 0.02 -0.42 -0.18 0.00 -0.26 0.00 0.00 58.87 58.03 2tsa n SER 118 Cb 0.16 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.97 2tsa n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2tsa h ALA 119 N 2.52 0.04 0.00 7.33 0.00 -1.87 -3.39 119.26 123.88 2tsa h ALA 119 Ca 0.00 -0.88 -0.14 0.00 0.00 0.00 0.00 54.91 53.89 2tsa h ALA 119 Cb 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2tsa h ALA 119 CO 0.00 0.91 -1.53 1.28 0.00 0.00 0.00 179.25 179.91 2tsa n LEU 120 N -3.57 2.96 -4.37 0.00 4.77 -0.88 -4.86 117.00 111.05 2tsa n LEU 120 Ca -0.10 -0.05 -0.43 0.00 -0.03 0.00 0.00 56.01 55.40 2tsa n LEU 120 Cb 1.04 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 2tsa n LEU 120 CO 0.55 0.65 1.83 0.00 -1.33 0.00 0.00 177.39 179.09 2tsa n ALA 121 N -2.78 4.08 -3.57 -1.18 0.00 0.58 -4.66 120.51 112.97 2tsa n ALA 121 Ca -0.17 -4.06 -0.09 0.00 0.00 0.00 0.00 53.44 49.13 2tsa n ALA 121 Cb 0.68 -3.32 -0.03 0.00 0.00 0.00 0.00 19.45 16.78 2tsa n ALA 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2tsa s LYS 122 N 2.69 1.58 0.14 0.00 -2.85 -1.26 -2.45 119.74 117.59 2tsa s LYS 122 Ca 0.47 -0.92 -0.24 0.00 -1.00 0.00 0.00 55.97 54.29 2tsa s LYS 122 Cb 0.03 0.57 0.08 0.00 -2.06 0.00 0.00 37.83 36.45 2tsa s LYS 122 CO 0.02 -0.70 1.07 0.20 0.10 0.00 0.00 175.35 176.04 2tsa s GLY 123 N -2.90 -0.04 0.14 0.59 0.00 0.13 -4.62 107.32 100.62 2tsa s GLY 123 Ca 0.11 -0.09 0.03 0.00 0.00 0.00 0.00 44.72 44.76 2tsa s GLY 123 CO 0.02 1.89 0.22 -1.59 0.00 0.00 0.00 173.10 173.64 2tsa s THR 124 N -2.44 5.05 -0.05 0.90 2.01 0.17 -1.33 115.64 119.95 2tsa s THR 124 Ca 0.19 -0.76 -0.02 0.00 0.31 0.00 0.00 61.69 61.42 2tsa s THR 124 Cb -0.01 -3.57 0.04 0.00 0.01 0.00 0.00 72.50 68.97 2tsa s THR 124 CO 0.03 -0.05 0.10 -0.22 -0.69 0.00 0.00 174.62 173.80 2tsa s LEU 125 N -3.04 0.82 0.05 4.42 0.20 -1.11 0.04 118.68 120.06 2tsa s LEU 125 Ca 0.33 0.20 0.05 0.00 0.69 0.00 0.00 54.13 55.40 2tsa s LEU 125 Cb -0.11 0.20 -0.02 0.00 -0.43 0.00 0.00 46.19 45.82 2tsa s LEU 125 CO 0.27 -0.15 -0.14 0.42 -0.29 0.00 0.00 176.35 176.46 2tsa s THR 126 N 1.18 1.11 -0.61 3.68 -4.23 -0.46 -2.95 115.64 113.36 2tsa s THR 126 Ca -0.09 -1.06 -0.20 0.00 -1.18 0.00 0.00 61.69 59.16 2tsa s THR 126 Cb -0.12 -1.02 0.09 0.00 1.34 0.00 0.00 72.50 72.79 2tsa s THR 126 CO -0.05 -0.05 0.79 -0.22 -0.54 0.00 0.00 174.62 174.56 2tsa s LEU 127 N -1.26 4.98 0.00 4.79 2.96 -1.26 -0.29 118.68 128.60 2tsa s LEU 127 Ca 0.01 -1.21 0.19 0.00 -0.22 0.00 0.00 54.13 52.90 2tsa s LEU 127 Cb -0.08 -2.37 0.15 0.00 0.50 0.00 0.00 46.19 44.39 2tsa s LEU 127 CO 0.01 -1.21 1.12 0.29 -1.32 0.00 0.00 176.35 175.24