#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 -2.01 0.00 2.13 -1.26 -4.34 120.64 115.16 2tsa n GLU 2 Ca 0.00 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.42 2tsa n GLU 2 Cb 0.00 0.00 0.03 0.00 0.27 0.00 0.00 31.44 31.74 2tsa n GLU 2 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2tsa s SER 4 N -1.05 -0.39 -0.03 0.00 1.04 -1.26 -1.77 113.70 110.25 2tsa s SER 4 Ca 0.50 -0.28 -0.15 0.00 0.48 0.00 0.00 55.95 56.49 2tsa s SER 4 Cb 0.40 0.61 0.03 0.00 0.10 0.00 0.00 66.02 67.15 2tsa s SER 4 CO -0.37 -1.05 0.34 0.54 0.98 0.00 0.00 173.24 173.68 2tsa s VAL 5 N -3.82 0.05 -0.26 5.02 0.11 -0.12 -3.49 120.40 117.89 2tsa s VAL 5 Ca 0.05 -0.39 -0.04 0.00 -2.93 0.00 0.00 61.98 58.68 2tsa s VAL 5 Cb -0.02 -0.62 0.01 0.00 -1.53 0.00 0.00 36.38 34.22 2tsa s VAL 5 CO -0.06 -0.21 0.00 -1.81 -3.33 0.00 0.00 175.10 169.69 2tsa s ASP 6 N -1.12 4.66 0.00 3.54 1.11 -1.26 0.11 116.67 123.71 2tsa s ASP 6 Ca -0.12 -0.74 0.06 0.00 0.18 0.00 0.00 52.55 51.94 2tsa s ASP 6 Cb -0.05 -1.76 -0.02 0.00 1.07 0.00 0.00 42.92 42.16 2tsa s ASP 6 CO 0.04 -0.14 -0.20 -0.51 1.18 0.00 0.00 175.17 175.55 2tsa s ILE 7 N 1.42 1.56 0.00 0.77 2.07 0.42 -4.95 121.20 122.48 2tsa s ILE 7 Ca 0.02 -0.93 0.05 0.00 -1.41 0.00 0.00 60.65 58.38 2tsa s ILE 7 Cb -0.17 -1.32 -0.03 0.00 0.13 0.00 0.00 42.46 41.08 2tsa s ILE 7 CO -0.01 0.37 -0.15 -1.10 -1.91 0.00 0.00 174.94 172.13 2tsa s GLN 8 N -0.66 2.30 -0.17 3.50 -0.21 -1.26 -1.18 119.66 121.97 2tsa s GLN 8 Ca 0.07 -0.84 0.01 0.00 0.02 0.00 0.00 55.36 54.62 2tsa s GLN 8 Cb -0.08 -2.30 0.02 0.00 1.00 0.00 0.00 33.01 31.66 2tsa s GLN 8 CO -0.00 0.58 -0.18 0.20 -2.12 0.00 0.00 175.29 173.77 2tsa s GLY 9 N -1.16 1.32 0.02 3.09 0.00 -0.85 -0.22 107.32 109.51 2tsa s GLY 9 Ca 0.14 -1.13 -0.00 0.00 0.00 0.00 0.00 44.72 43.72 2tsa s GLY 9 CO 0.04 0.36 0.02 1.16 0.00 0.00 0.00 173.10 174.68 2tsa n ASN 10 N 4.66 0.02 -0.23 1.64 2.04 -0.79 -3.46 115.26 119.13 2tsa n ASN 10 Ca -0.20 -1.02 0.14 0.00 -0.44 0.00 0.00 54.58 53.07 2tsa n ASN 10 Cb 0.50 -0.02 0.72 0.00 -2.53 0.00 0.00 39.78 38.45 2tsa n ASN 10 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 2tsa n ASP 11 N -3.00 0.73 -1.41 0.53 8.00 -1.24 -3.15 116.55 117.00 2tsa n ASP 11 Ca 0.00 -1.27 0.08 0.00 0.71 0.00 0.00 54.79 54.31 2tsa n ASP 11 Cb 0.01 -0.01 0.34 0.00 -0.02 0.00 0.00 41.12 41.44 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 -0.42 3.95 -1.20 -1.24 3.00 -1.26 -4.97 117.38 115.25 2tsa n GLN 12 Ca 0.21 -3.02 -0.07 0.00 -0.01 0.00 0.00 57.00 54.11 2tsa n GLN 12 Cb 0.22 -2.07 -0.03 0.00 0.00 0.00 0.00 30.24 28.37 2tsa n GLN 12 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 2tsa n MET 13 N 0.07 -1.41 -4.04 -1.09 2.81 -1.19 -5.00 117.12 107.27 2tsa n MET 13 Ca 0.25 0.68 -0.35 0.00 -1.81 0.00 0.00 57.70 56.47 2tsa n MET 13 Cb 1.06 -4.88 -0.09 0.00 -0.71 0.00 0.00 33.22 28.60 2tsa n MET 13 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2tsa s GLN 14 N -2.34 3.64 0.54 0.03 -0.21 -1.26 -2.94 119.66 117.12 2tsa s GLN 14 Ca 0.00 -0.30 -0.08 0.00 0.02 0.00 0.00 55.36 55.00 2tsa s GLN 14 Cb 0.00 -3.13 -0.04 0.00 1.00 0.00 0.00 33.01 30.84 2tsa s GLN 14 CO 0.00 0.50 0.90 -0.06 -2.12 0.00 0.00 175.29 174.50 2tsa s PHE 15 N -0.25 3.58 -1.67 0.91 0.08 -1.26 -1.89 117.98 117.48 2tsa s PHE 15 Ca 0.08 1.06 0.29 0.00 0.12 0.00 0.00 56.93 58.49 2tsa s PHE 15 Cb -0.12 -2.51 1.36 0.00 -0.57 0.00 0.00 43.02 41.18 2tsa s PHE 15 CO 0.01 -0.45 1.94 0.27 -0.10 0.00 0.00 175.22 176.90 2tsa n ASN 16 N -2.38 0.35 -4.06 1.36 6.94 0.69 -4.82 115.26 113.33 2tsa n ASN 16 Ca 0.03 -0.56 -0.11 0.00 -0.02 0.00 0.00 54.58 53.92 2tsa n ASN 16 Cb 0.55 -0.11 -0.11 0.00 -2.36 0.00 0.00 39.78 37.75 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 -2.42 0.41 -0.56 5.53 -1.32 -1.26 -5.02 115.64 111.00 2tsa s THR 17 Ca 0.31 -1.27 0.16 0.00 -1.21 0.00 0.00 61.69 59.69 2tsa s THR 17 Cb 0.20 -0.81 -0.20 0.00 -1.51 0.00 0.00 72.50 70.19 2tsa s THR 17 CO 0.46 -0.57 0.60 0.59 -2.21 0.00 0.00 174.62 173.49 2tsa n ASN 18 N 1.08 0.88 -3.94 8.08 3.02 -1.26 -4.80 115.26 118.31 2tsa n ASN 18 Ca -0.20 -0.64 -0.10 0.00 -0.03 0.00 0.00 54.58 53.61 2tsa n ASN 18 Cb 0.57 1.21 -0.12 0.00 -0.61 0.00 0.00 39.78 40.83 2tsa n ASN 18 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2tsa s ALA 19 N -2.72 0.10 -0.11 5.41 0.00 -1.26 0.09 121.76 123.26 2tsa s ALA 19 Ca 0.03 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.59 2tsa s ALA 19 Cb 0.12 0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.36 2tsa s ALA 19 CO 0.68 -0.10 -0.02 0.42 0.00 0.00 0.00 175.76 176.74 2tsa s ILE 20 N -0.93 0.66 -0.12 0.00 1.01 -0.39 -4.94 121.20 116.49 2tsa s ILE 20 Ca -0.10 -0.18 -0.16 0.00 0.00 0.00 0.00 60.65 60.21 2tsa s ILE 20 Cb -0.06 -0.83 -0.05 0.00 0.01 0.00 0.00 42.46 41.53 2tsa s ILE 20 CO -0.01 0.21 0.40 -0.89 0.00 0.00 0.00 174.94 174.65 2tsa s THR 21 N 1.85 5.21 -0.35 2.92 2.01 -1.26 -1.31 115.64 124.71 2tsa s THR 21 Ca 0.04 0.80 -0.01 0.00 0.31 0.00 0.00 61.69 62.82 2tsa s THR 21 Cb -0.13 -3.74 0.08 0.00 0.01 0.00 0.00 72.50 68.72 2tsa s THR 21 CO -0.07 0.38 0.08 -0.69 -0.69 0.00 0.00 174.62 173.63 2tsa s VAL 22 N 0.35 2.99 0.10 3.82 1.01 0.20 -4.93 120.40 123.95 2tsa s VAL 22 Ca 0.22 -1.77 -0.31 0.00 0.00 0.00 0.00 61.98 60.13 2tsa s VAL 22 Cb -0.15 -2.91 -0.09 0.00 0.00 0.00 0.00 36.38 33.23 2tsa s VAL 22 CO 0.08 -0.39 1.73 -0.62 0.00 0.00 0.00 175.10 175.90 2tsa s ASP 23 N 1.42 6.51 0.55 3.32 2.15 -1.26 -2.23 116.67 127.13 2tsa s ASP 23 Ca 0.02 2.63 0.17 0.00 0.43 0.00 0.00 52.55 55.80 2tsa s ASP 23 Cb -0.21 -2.57 0.92 0.00 -0.30 0.00 0.00 42.92 40.77 2tsa s ASP 23 CO -0.03 -0.94 1.47 0.50 -0.17 0.00 0.00 175.17 176.00 2tsa h LYS 24 N 8.30 0.00 0.00 4.34 1.63 -1.90 -1.73 116.57 127.21 2tsa h LYS 24 Ca -0.44 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 2tsa h LYS 24 Cb 1.21 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 2tsa h LYS 24 CO 0.94 0.00 -0.38 0.43 -3.45 0.00 0.00 179.45 176.99 2tsa n SER 25 N -2.50 0.48 -4.75 4.20 7.64 -1.26 -4.84 113.62 112.59 2tsa n SER 25 Ca -0.01 0.10 -0.40 0.00 1.01 0.00 0.00 58.87 59.57 2tsa n SER 25 Cb 0.52 -0.04 -0.05 0.00 -1.01 0.00 0.00 64.21 63.63 2tsa n SER 25 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2tsa h LYS 27 N 4.02 0.23 -5.67 0.00 6.56 -1.89 -3.43 116.57 116.40 2tsa h LYS 27 Ca -0.46 -0.40 -0.50 0.00 -1.06 0.00 0.00 60.65 58.23 2tsa h LYS 27 Cb 1.21 0.15 -0.14 0.00 -0.57 0.00 0.00 32.23 32.87 2tsa h LYS 27 CO 0.68 1.19 -0.71 -0.65 -2.06 0.00 0.00 179.45 177.90 2tsa s GLN 28 N -2.49 1.50 0.01 3.15 -1.52 -1.26 -2.02 119.66 117.03 2tsa s GLN 28 Ca -0.21 -1.71 0.01 0.00 -1.95 0.00 0.00 55.36 51.50 2tsa s GLN 28 Cb 0.05 -1.27 -0.01 0.00 -0.22 0.00 0.00 33.01 31.56 2tsa s GLN 28 CO 0.75 0.15 -0.04 0.12 -0.25 0.00 0.00 175.29 176.02 2tsa s PHE 29 N -2.89 0.38 -0.05 0.91 5.36 0.81 -4.79 117.98 117.71 2tsa s PHE 29 Ca 0.27 -0.20 0.03 0.00 -0.96 0.00 0.00 56.93 56.07 2tsa s PHE 29 Cb 0.00 -0.24 0.01 0.00 -0.34 0.00 0.00 43.02 42.45 2tsa s PHE 29 CO 0.11 -0.04 -0.12 0.99 -1.46 0.00 0.00 175.22 174.69 2tsa s THR 30 N -0.50 1.10 -0.09 0.12 2.01 -0.73 -0.64 115.64 116.90 2tsa s THR 30 Ca -0.03 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.49 2tsa s THR 30 Cb -0.04 -0.98 -0.02 0.00 0.01 0.00 0.00 72.50 71.47 2tsa s THR 30 CO -0.00 0.34 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.42 2tsa s VAL 31 N 0.36 2.91 -0.29 3.82 1.01 -0.34 -0.94 120.40 126.93 2tsa s VAL 31 Ca -0.08 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.16 2tsa s VAL 31 Cb -0.13 -2.17 0.06 0.00 0.00 0.00 0.00 36.38 34.14 2tsa s VAL 31 CO 0.02 0.55 -0.04 0.20 0.00 0.00 0.00 175.10 175.83 2tsa s ASN 32 N -0.07 4.70 -0.17 3.32 0.01 0.12 -1.59 114.94 121.26 2tsa s ASN 32 Ca -0.03 -1.38 -0.09 0.00 -0.71 0.00 0.00 52.86 50.66 2tsa s ASN 32 Cb -0.14 -1.64 -0.05 0.00 0.41 0.00 0.00 41.25 39.83 2tsa s ASN 32 CO 0.04 -0.24 0.13 -0.22 -1.51 0.00 0.00 177.10 175.30 2tsa s LEU 33 N 1.17 4.28 0.21 0.60 2.96 0.41 -0.44 118.68 127.87 2tsa s LEU 33 Ca -0.06 0.33 0.06 0.00 -0.22 0.00 0.00 54.13 54.24 2tsa s LEU 33 Cb -0.20 -2.08 -0.05 0.00 0.50 0.00 0.00 46.19 44.36 2tsa s LEU 33 CO -0.03 0.27 -0.11 -0.94 -1.32 0.00 0.00 176.35 174.23 2tsa s SER 34 N -0.21 2.38 -0.43 3.68 1.04 -0.33 -0.83 113.70 119.00 2tsa s SER 34 Ca 0.11 -1.07 0.02 0.00 0.48 0.00 0.00 55.95 55.49 2tsa s SER 34 Cb -0.11 -0.10 0.14 0.00 0.10 0.00 0.00 66.02 66.04 2tsa s SER 34 CO 0.00 -0.27 0.24 -2.28 0.98 0.00 0.00 173.24 171.92 2tsa s HIS 35 N -3.09 1.86 -0.12 5.02 2.46 -1.15 -2.00 115.29 118.26 2tsa s HIS 35 Ca 0.23 -2.35 -0.29 0.00 0.47 0.00 0.00 55.06 53.12 2tsa s HIS 35 Cb 0.01 -1.79 -0.03 0.00 -0.13 0.00 0.00 32.58 30.65 2tsa s HIS 35 CO 0.07 -0.79 1.35 -1.25 -2.47 0.00 0.00 174.74 171.66 2tsa s PRO 36 N 0.41 4.23 0.00 2.88 0.04 -1.23 -0.49 135.00 140.85 2tsa s PRO 36 Ca 0.18 1.80 0.00 0.00 0.04 0.00 0.00 61.00 63.02 2tsa s PRO 36 Cb -0.24 -3.79 0.00 0.00 0.04 0.00 0.00 34.50 30.51 2tsa s PRO 36 CO -0.00 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 176.73 2tsa n GLY 37 N 3.72 0.56 0.02 0.56 0.00 -1.26 -3.60 105.19 105.19 2tsa n GLY 37 Ca 0.14 -1.56 0.07 0.00 0.00 0.00 0.00 46.02 44.68 2tsa n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2tsa n ASN 38 N 0.00 0.75 -4.74 1.61 3.02 -1.26 -3.95 115.26 110.68 2tsa n ASN 38 Ca 0.00 -0.87 -0.40 0.00 -0.03 0.00 0.00 54.58 53.27 2tsa n ASN 38 Cb 0.00 0.98 -0.05 0.00 -0.61 0.00 0.00 39.78 40.10 2tsa n ASN 38 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2tsa s LEU 39 N -2.68 4.58 0.77 3.41 1.43 -1.26 -4.83 118.68 120.10 2tsa s LEU 39 Ca 0.06 1.94 -0.12 0.00 -1.03 0.00 0.00 54.13 54.99 2tsa s LEU 39 Cb 0.11 -3.60 0.05 0.00 0.03 0.00 0.00 46.19 42.78 2tsa s LEU 39 CO 0.61 0.03 1.14 -2.16 0.23 0.00 0.00 176.35 176.19 2tsa s PRO 40 N -0.76 2.32 0.15 1.29 0.04 -1.26 -0.79 135.00 136.00 2tsa s PRO 40 Ca 0.44 0.30 -0.21 0.00 0.04 0.00 0.00 61.00 61.57 2tsa s PRO 40 Cb -0.26 -1.97 0.04 0.00 0.04 0.00 0.00 34.50 32.35 2tsa s PRO 40 CO 0.32 -1.38 1.65 -0.22 0.04 0.00 0.00 177.00 177.41 2tsa h LYS 41 N -0.90 -0.16 0.00 4.56 3.64 -1.84 0.54 116.57 122.41 2tsa h LYS 41 Ca -0.46 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2tsa h LYS 41 Cb 1.29 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 33.15 2tsa h LYS 41 CO 0.65 -0.11 -0.00 -2.95 -2.27 0.00 0.00 179.45 174.76 2tsa h ASN 42 N -0.17 0.00 0.00 4.20 -1.07 -1.95 0.43 115.58 117.02 2tsa h ASN 42 Ca 0.15 0.00 -0.20 0.00 0.07 0.00 0.00 56.30 56.32 2tsa h ASN 42 Cb 0.39 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.61 2tsa h ASN 42 CO -0.38 0.00 -1.74 0.52 0.07 0.00 0.00 177.43 175.91 2tsa n VAL 43 N -3.13 0.74 -2.73 6.14 0.31 -0.75 -4.80 118.33 114.10 2tsa n VAL 43 Ca -0.02 -0.39 -0.04 0.00 -0.01 0.00 0.00 64.34 63.87 2tsa n VAL 43 Cb 0.12 -0.81 0.07 0.00 -0.91 0.00 0.00 33.84 32.31 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 -2.56 1.38 -1.58 5.55 0.00 0.18 -4.99 117.12 115.10 2tsa n MET 44 Ca -0.19 -2.69 -0.32 0.00 -0.00 0.00 0.00 57.70 54.49 2tsa n MET 44 Cb 0.81 -0.83 0.06 0.00 0.00 0.00 0.00 33.22 33.27 2tsa n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2tsa s GLY 45 N -2.62 2.00 -0.02 -5.12 0.00 0.15 -4.66 107.32 97.06 2tsa s GLY 45 Ca 0.23 0.46 0.01 0.00 0.00 0.00 0.00 44.72 45.42 2tsa s GLY 45 CO -0.04 0.82 -0.01 0.30 0.00 0.00 0.00 173.10 174.16 2tsa s HIS 46 N -2.52 0.26 0.38 1.90 3.76 0.31 -4.79 115.29 114.60 2tsa s HIS 46 Ca 0.65 -0.01 0.04 0.00 -0.15 0.00 0.00 55.06 55.59 2tsa s HIS 46 Cb -0.20 -0.28 -0.06 0.00 1.11 0.00 0.00 32.58 33.16 2tsa s HIS 46 CO 0.46 -0.07 0.05 0.54 -0.85 0.00 0.00 174.74 174.88 2tsa s ASN 47 N 0.53 3.01 -0.20 1.40 4.22 -1.26 -2.15 114.94 120.49 2tsa s ASN 47 Ca -0.05 -1.46 -0.00 0.00 -2.14 0.00 0.00 52.86 49.21 2tsa s ASN 47 Cb -0.08 0.00 0.05 0.00 1.28 0.00 0.00 41.25 42.51 2tsa s ASN 47 CO -0.01 -0.65 -0.03 0.86 -2.04 0.00 0.00 177.10 175.23 2tsa s TRP 48 N -3.09 1.87 0.05 1.54 -0.00 -1.26 -3.85 118.94 114.20 2tsa s TRP 48 Ca 0.31 -1.34 0.09 0.00 -0.00 0.00 0.00 56.10 55.15 2tsa s TRP 48 Cb 0.07 -1.37 -0.03 0.00 -0.00 0.00 0.00 33.47 32.14 2tsa s TRP 48 CO 0.14 -0.69 -0.23 0.08 -0.00 0.00 0.00 176.95 176.25 2tsa s VAL 49 N 1.57 2.39 -0.03 5.86 1.01 -0.12 -1.25 120.40 129.84 2tsa s VAL 49 Ca -0.03 -1.33 0.06 0.00 0.00 0.00 0.00 61.98 60.68 2tsa s VAL 49 Cb -0.17 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 2tsa s VAL 49 CO -0.07 0.34 -0.21 -0.22 0.00 0.00 0.00 175.10 174.95 2tsa s LEU 50 N -1.35 2.01 0.28 3.92 2.96 -0.16 -1.59 118.68 124.74 2tsa s LEU 50 Ca 0.13 -0.40 -0.16 0.00 -0.22 0.00 0.00 54.13 53.48 2tsa s LEU 50 Cb -0.10 -1.11 0.01 0.00 0.50 0.00 0.00 46.19 45.49 2tsa s LEU 50 CO 0.03 0.22 0.61 -0.94 -1.32 0.00 0.00 176.35 174.96 2tsa s SER 51 N -0.26 -0.11 0.46 3.68 1.04 -0.93 0.02 113.70 117.61 2tsa s SER 51 Ca 0.02 -0.83 -0.22 0.00 0.48 0.00 0.00 55.95 55.40 2tsa s SER 51 Cb -0.10 0.67 -0.08 0.00 0.10 0.00 0.00 66.02 66.61 2tsa s SER 51 CO 0.01 -1.28 1.07 0.42 0.98 0.00 0.00 173.24 174.44 2tsa s THR 52 N -3.79 3.58 0.32 2.02 -4.23 -1.26 -0.59 115.64 111.68 2tsa s THR 52 Ca 0.17 1.08 0.09 0.00 -1.18 0.00 0.00 61.69 61.85 2tsa s THR 52 Cb -0.03 -3.49 0.31 0.00 1.34 0.00 0.00 72.50 70.62 2tsa s THR 52 CO 0.09 -0.12 1.71 0.00 -0.54 0.00 0.00 174.62 175.76 2tsa h ALA 53 N 1.86 1.74 -0.73 3.99 0.00 -1.56 -1.66 119.26 122.90 2tsa h ALA 53 Ca -0.49 0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.58 2tsa h ALA 53 Cb 1.23 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 2tsa h ALA 53 CO 0.60 -0.32 0.48 0.00 0.00 0.00 0.00 179.25 180.01 2tsa h ALA 54 N 1.74 1.52 0.00 0.00 0.00 -1.91 -3.19 119.26 117.42 2tsa h ALA 54 Ca 0.64 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.51 2tsa h ALA 54 Cb 1.25 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2tsa h ALA 54 CO -0.50 0.43 -0.73 -0.25 0.00 0.00 0.00 179.25 178.19 2tsa n ASP 55 N -4.44 0.65 0.01 0.00 8.00 -0.66 -4.45 116.55 115.67 2tsa n ASP 55 Ca 0.08 -0.02 -0.12 0.00 0.71 0.00 0.00 54.79 55.44 2tsa n ASP 55 Cb 0.07 0.36 -0.08 0.00 -0.02 0.00 0.00 41.12 41.46 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 0.00 -0.46 -0.92 -1.24 1.85 -1.46 -1.73 114.93 110.96 2tsa h MET 56 Ca 0.00 0.03 0.26 0.00 -0.61 0.00 0.00 59.70 59.39 2tsa h MET 56 Cb 0.71 0.10 -0.15 0.00 0.43 0.00 0.00 31.60 32.70 2tsa h MET 56 CO 0.00 -0.31 0.29 0.37 -0.40 0.00 0.00 176.91 176.87 2tsa h GLN 57 N -0.48 0.19 -0.15 0.39 5.75 -1.78 0.26 115.11 119.30 2tsa h GLN 57 Ca 0.02 -0.01 -0.17 0.00 -0.15 0.00 0.00 58.65 58.33 2tsa h GLN 57 Cb 0.54 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.04 2tsa h GLN 57 CO -0.32 0.13 -0.63 0.78 -2.65 0.00 0.00 178.83 176.14 2tsa h GLY 58 N 0.20 0.58 1.01 2.39 0.00 -1.81 -1.91 103.07 103.52 2tsa h GLY 58 Ca 0.61 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2tsa h GLY 58 CO -0.68 0.65 0.46 -2.08 0.00 0.00 0.00 176.54 174.90 2tsa h VAL 59 N 0.39 1.20 -0.35 4.60 2.07 0.38 -1.50 116.25 123.04 2tsa h VAL 59 Ca -0.01 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 2tsa h VAL 59 Cb 1.19 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 2tsa h VAL 59 CO 0.12 0.20 0.15 0.58 0.02 0.00 0.00 177.57 178.63 2tsa h VAL 60 N 1.00 1.18 0.06 2.57 2.07 -0.99 0.40 116.25 122.54 2tsa h VAL 60 Ca 0.27 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 2tsa h VAL 60 Cb -0.07 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2tsa h VAL 60 CO -0.05 0.20 -0.03 0.74 0.02 0.00 0.00 177.57 178.45 2tsa h THR 61 N 0.42 1.12 0.00 2.57 2.02 -1.18 -0.20 112.91 117.67 2tsa h THR 61 Ca 0.12 -0.62 -0.04 0.00 0.77 0.00 0.00 66.41 66.63 2tsa h THR 61 Cb 0.17 1.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 2tsa h THR 61 CO -0.01 0.16 -0.21 0.44 0.37 0.00 0.00 175.52 176.26 2tsa h ASP 62 N -0.36 0.00 0.61 4.18 3.32 -1.30 -2.43 116.42 120.44 2tsa h ASP 62 Ca -0.01 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.82 2tsa h ASP 62 Cb 0.32 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 2tsa h ASP 62 CO 0.01 0.21 -0.99 1.23 -1.72 0.00 0.00 179.24 177.99 2tsa h GLY 63 N 0.68 0.25 1.09 2.75 0.00 -0.47 -3.19 103.07 104.17 2tsa h GLY 63 Ca -0.00 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 2tsa h GLY 63 CO 0.03 0.44 0.52 1.98 0.00 0.00 0.00 176.54 179.50 2tsa h MET 64 N 0.10 1.21 -0.01 4.80 1.85 -0.56 -0.54 114.93 121.78 2tsa h MET 64 Ca -0.07 -0.12 0.00 0.00 -0.61 0.00 0.00 59.70 58.91 2tsa h MET 64 Cb 1.66 -0.25 0.00 0.00 0.43 0.00 0.00 31.60 33.44 2tsa h MET 64 CO 0.15 0.85 0.00 0.00 -0.40 0.00 0.00 176.91 177.52 2tsa n ALA 65 N -2.41 2.62 0.08 0.39 0.00 -1.07 -3.99 120.51 116.14 2tsa n ALA 65 Ca 0.10 -0.18 0.11 0.00 0.00 0.00 0.00 53.44 53.46 2tsa n ALA 65 Cb 0.07 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.16 2tsa n ALA 65 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2tsa n SER 66 N -0.72 0.72 0.00 0.00 7.64 -0.21 -5.09 113.62 115.97 2tsa n SER 66 Ca 0.17 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.33 2tsa n SER 66 Cb 0.11 0.67 0.00 0.00 -1.01 0.00 0.00 64.21 63.97 2tsa n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2tsa n GLY 67 N 1.20 -0.83 0.31 0.23 0.00 -1.26 -4.38 105.19 100.48 2tsa n GLY 67 Ca -0.01 -1.58 0.05 0.00 0.00 0.00 0.00 46.02 44.48 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 0.61 -1.38 0.99 6.46 -1.93 -0.39 115.31 119.67 2tsa h LEU 68 Ca 0.00 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.83 2tsa h LEU 68 Cb 0.00 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 39.89 2tsa h LEU 68 CO 0.00 0.30 0.00 -0.90 -0.62 0.00 0.00 178.44 177.22 2tsa n ASP 69 N -4.80 0.60 -0.65 1.25 5.75 -1.26 -0.59 116.55 116.84 2tsa n ASP 69 Ca 0.16 0.76 0.06 0.00 -0.01 0.00 0.00 54.79 55.76 2tsa n ASP 69 Cb 0.36 -0.84 0.14 0.00 -1.03 0.00 0.00 41.12 39.75 2tsa n ASP 69 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2tsa n LYS 70 N -2.29 2.21 -3.14 0.11 4.01 -0.21 -4.96 118.16 113.90 2tsa n LYS 70 Ca -0.01 -1.85 -0.23 0.00 -0.51 0.00 0.00 58.31 55.71 2tsa n LYS 70 Cb 0.07 -1.28 0.03 0.00 -0.51 0.00 0.00 35.03 33.34 2tsa n LYS 70 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 2tsa n ASP 71 N 0.66 -5.81 -4.22 4.39 8.00 0.24 -2.24 116.55 117.58 2tsa n ASP 71 Ca 0.11 -0.34 -0.34 0.00 0.71 0.00 0.00 54.79 54.94 2tsa n ASP 71 Cb 0.41 -4.69 -0.04 0.00 -0.02 0.00 0.00 41.12 36.78 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 -4.49 -1.57 -3.98 1.24 4.01 -0.89 -4.79 117.16 106.69 2tsa n TYR 72 Ca -0.09 0.74 -0.12 0.00 -0.16 0.00 0.00 57.90 58.28 2tsa n TYR 72 Cb 0.60 -2.96 -0.13 0.00 -0.31 0.00 0.00 39.34 36.54 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 -7.21 2.12 0.11 7.72 1.43 -0.95 -4.27 118.68 117.62 2tsa s LEU 73 Ca 0.47 -0.26 -0.31 0.00 -1.03 0.00 0.00 54.13 53.00 2tsa s LEU 73 Cb -0.26 -0.03 -0.07 0.00 0.03 0.00 0.00 46.19 45.85 2tsa s LEU 73 CO 0.94 -0.12 1.24 -0.75 0.23 0.00 0.00 176.35 177.89 2tsa s LYS 74 N -0.74 4.43 0.14 1.70 2.20 -1.26 -4.81 119.74 121.40 2tsa s LYS 74 Ca -0.06 1.86 -0.31 0.00 -0.36 0.00 0.00 55.97 57.09 2tsa s LYS 74 Cb -0.05 -3.30 -0.10 0.00 -1.51 0.00 0.00 37.83 32.87 2tsa s LYS 74 CO -0.00 -0.25 1.69 -2.14 -0.36 0.00 0.00 175.35 174.30 2tsa s PRO 75 N 0.69 4.17 -1.26 4.03 0.01 -1.26 -2.50 135.00 138.88 2tsa s PRO 75 Ca 0.58 2.48 -0.06 0.00 0.01 0.00 0.00 61.00 64.00 2tsa s PRO 75 Cb -0.32 -3.35 0.01 0.00 0.01 0.00 0.00 34.50 30.84 2tsa s PRO 75 CO 0.32 -0.73 1.09 -0.25 0.01 0.00 0.00 177.00 177.44 2tsa n ASP 76 N 4.80 -5.19 -4.56 2.53 9.92 -1.26 -4.90 116.55 117.90 2tsa n ASP 76 Ca 0.16 -0.54 -0.39 0.00 -0.53 0.00 0.00 54.79 53.49 2tsa n ASP 76 Cb 0.38 -4.87 -0.03 0.00 -0.64 0.00 0.00 41.12 35.96 2tsa n ASP 76 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2tsa s ASP 77 N -3.55 5.51 0.32 -2.24 -1.08 -1.04 -4.84 116.67 109.75 2tsa s ASP 77 Ca 0.43 0.33 0.14 0.00 -0.52 0.00 0.00 52.55 52.93 2tsa s ASP 77 Cb -0.19 -2.53 0.78 0.00 -1.46 0.00 0.00 42.92 39.52 2tsa s ASP 77 CO 0.70 -2.19 1.35 -1.54 0.52 0.00 0.00 175.17 174.01 2tsa n SER 78 N 11.85 0.37 -0.17 -0.34 3.41 -1.26 -1.97 113.62 125.51 2tsa n SER 78 Ca 0.18 0.59 0.13 0.00 -0.26 0.00 0.00 58.87 59.51 2tsa n SER 78 Cb 0.51 -0.56 0.43 0.00 -0.26 0.00 0.00 64.21 64.33 2tsa n SER 78 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2tsa n ARG 79 N -2.08 0.67 -2.93 4.33 1.74 -1.26 -4.74 116.66 112.38 2tsa n ARG 79 Ca -0.01 -0.35 -0.43 0.00 -0.77 0.00 0.00 57.85 56.29 2tsa n ARG 79 Cb 0.27 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.17 2tsa n ARG 79 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2tsa s VAL 80 N -2.57 4.60 0.13 1.55 1.01 -0.83 -4.44 120.40 119.85 2tsa s VAL 80 Ca 0.23 0.45 -0.13 0.00 0.00 0.00 0.00 61.98 62.53 2tsa s VAL 80 Cb 0.19 -4.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 2tsa s VAL 80 CO 0.53 -0.77 1.53 0.40 0.00 0.00 0.00 175.10 176.79 2tsa h ILE 81 N 6.00 1.28 -2.37 2.22 2.04 -0.70 -3.47 117.51 122.51 2tsa h ILE 81 Ca -0.25 -1.23 0.13 0.00 1.00 0.00 0.00 64.86 64.51 2tsa h ILE 81 Cb 1.08 1.20 -0.12 0.00 -0.74 0.00 0.00 36.82 38.24 2tsa h ILE 81 CO 0.98 0.42 0.47 0.00 0.00 0.00 0.00 178.15 180.01 2tsa s ALA 82 N -4.76 -1.73 -0.06 1.87 0.00 -1.22 -5.01 121.76 110.84 2tsa s ALA 82 Ca -0.12 0.63 -0.29 0.00 0.00 0.00 0.00 51.96 52.17 2tsa s ALA 82 Cb 0.11 0.54 0.10 0.00 0.00 0.00 0.00 23.12 23.87 2tsa s ALA 82 CO 0.83 -0.83 0.86 -3.38 0.00 0.00 0.00 175.76 173.24 2tsa s HIS 83 N -3.24 -0.44 0.00 0.00 -3.43 -1.26 -0.99 115.29 105.93 2tsa s HIS 83 Ca 0.07 0.59 0.00 0.00 -0.80 0.00 0.00 55.06 54.92 2tsa s HIS 83 Cb -0.01 0.48 0.00 0.00 -1.43 0.00 0.00 32.58 31.62 2tsa s HIS 83 CO -0.05 -0.50 0.00 0.25 -2.00 0.00 0.00 174.74 172.44 2tsa n THR 84 N 0.38 0.00 -3.84 -5.38 -2.24 -0.38 -4.86 114.28 97.96 2tsa n THR 84 Ca -0.12 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.42 2tsa n THR 84 Cb 0.59 -0.65 -0.04 0.00 -2.10 0.00 0.00 70.33 68.13 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 1.37 2.35 -0.10 -0.78 1.02 -1.26 -4.81 119.74 117.53 2tsa s LYS 85 Ca 0.00 -1.78 -0.19 0.00 0.02 0.00 0.00 55.97 54.03 2tsa s LYS 85 Cb 0.00 -2.17 -0.04 0.00 -0.52 0.00 0.00 37.83 35.10 2tsa s LYS 85 CO 0.00 -0.30 0.50 -1.17 -0.92 0.00 0.00 175.35 173.46 2tsa s LEU 86 N -4.11 4.29 0.13 3.17 2.96 -1.26 -4.30 118.68 119.57 2tsa s LEU 86 Ca 0.42 0.86 0.05 0.00 -0.22 0.00 0.00 54.13 55.24 2tsa s LEU 86 Cb -0.01 -2.73 -0.04 0.00 0.50 0.00 0.00 46.19 43.91 2tsa s LEU 86 CO 0.24 0.01 -0.11 0.27 -1.32 0.00 0.00 176.35 175.44 2tsa s ILE 87 N 0.54 1.19 0.09 6.68 -4.36 -0.91 -4.87 121.20 119.55 2tsa s ILE 87 Ca 0.27 -1.91 0.00 0.00 -0.26 0.00 0.00 60.65 58.75 2tsa s ILE 87 Cb -0.15 -1.69 0.00 0.00 1.25 0.00 0.00 42.46 41.87 2tsa s ILE 87 CO 0.11 -0.63 0.02 0.61 0.24 0.00 0.00 174.94 175.29 2tsa n GLY 88 N 0.10 3.81 3.27 6.27 0.00 -1.26 -0.53 105.19 116.85 2tsa n GLY 88 Ca -0.12 -2.23 -0.56 0.00 0.00 0.00 0.00 46.02 43.11 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 -1.29 0.11 0.00 1.61 3.41 0.03 -2.11 113.62 115.38 2tsa n SER 89 Ca -0.03 1.08 0.00 0.00 -0.26 0.00 0.00 58.87 59.66 2tsa n SER 89 Cb 0.11 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 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 1.63 2.90 3.98 5.00 0.00 0.36 -4.97 105.19 114.09 2tsa n GLY 90 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 2.52 0.06 1.61 2.02 -0.90 -4.89 118.70 119.12 2tsa s GLU 91 Ca 0.00 -0.82 0.01 0.00 0.02 0.00 0.00 54.97 54.18 2tsa s GLU 91 Cb 0.00 -2.50 -0.03 0.00 0.10 0.00 0.00 34.13 31.70 2tsa s GLU 91 CO 0.00 -0.72 -0.06 0.15 0.02 0.00 0.00 175.26 174.65 2tsa s LYS 92 N -4.76 0.62 -0.12 1.61 -0.14 -1.26 -2.96 119.74 112.74 2tsa s LYS 92 Ca 0.58 -1.01 -0.23 0.00 -1.36 0.00 0.00 55.97 53.95 2tsa s LYS 92 Cb -0.10 -0.14 0.05 0.00 -1.68 0.00 0.00 37.83 35.96 2tsa s LYS 92 CO 0.38 -0.01 0.56 0.34 -0.76 0.00 0.00 175.35 175.86 2tsa s ASP 93 N -2.28 -0.54 0.22 2.83 2.15 -0.01 -5.01 116.67 114.03 2tsa s ASP 93 Ca -0.01 0.79 0.09 0.00 0.43 0.00 0.00 52.55 53.85 2tsa s ASP 93 Cb -0.02 0.78 -0.05 0.00 -0.30 0.00 0.00 42.92 43.33 2tsa s ASP 93 CO -0.03 -0.39 -0.16 -0.44 -0.17 0.00 0.00 175.17 173.97 2tsa s SER 94 N -0.55 2.82 -0.03 -0.34 0.01 -1.26 -0.45 113.70 113.89 2tsa s SER 94 Ca -0.07 -1.00 -0.12 0.00 1.31 0.00 0.00 55.95 56.08 2tsa s SER 94 Cb -0.03 -0.18 0.02 0.00 0.21 0.00 0.00 66.02 66.04 2tsa s SER 94 CO 0.05 -0.10 0.26 0.54 0.41 0.00 0.00 173.24 174.39 2tsa s VAL 95 N -2.74 0.05 -0.07 3.43 0.11 -0.62 -4.88 120.40 115.68 2tsa s VAL 95 Ca 0.23 -0.40 0.03 0.00 -2.93 0.00 0.00 61.98 58.91 2tsa s VAL 95 Cb -0.02 -0.51 0.01 0.00 -1.53 0.00 0.00 36.38 34.32 2tsa s VAL 95 CO 0.09 -0.22 -0.16 -0.89 -3.33 0.00 0.00 175.10 170.58 2tsa s THR 96 N -0.95 1.44 0.15 5.04 2.01 -1.26 -1.20 115.64 120.88 2tsa s THR 96 Ca -0.10 -0.67 0.04 0.00 0.31 0.00 0.00 61.69 61.27 2tsa s THR 96 Cb -0.05 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 2tsa s THR 96 CO 0.03 0.42 -0.08 0.72 -0.69 0.00 0.00 174.62 175.02 2tsa s PHE 97 N 0.48 1.24 0.05 4.92 -0.71 0.19 -4.92 117.98 119.22 2tsa s PHE 97 Ca -0.14 -0.82 -0.30 0.00 -1.04 0.00 0.00 56.93 54.62 2tsa s PHE 97 Cb -0.16 -0.66 -0.05 0.00 -1.21 0.00 0.00 43.02 40.95 2tsa s PHE 97 CO 0.05 0.01 1.10 -0.51 -1.34 0.00 0.00 175.22 174.54 2tsa s ASP 98 N -3.17 7.22 0.12 1.98 1.01 -1.26 -0.13 116.67 122.44 2tsa s ASP 98 Ca 0.18 1.88 0.16 0.00 0.71 0.00 0.00 52.55 55.48 2tsa s ASP 98 Cb 0.04 -2.58 0.72 0.00 1.01 0.00 0.00 42.92 42.11 2tsa s ASP 98 CO 0.01 -0.36 1.51 0.52 0.21 0.00 0.00 175.17 177.06 2tsa n VAL 99 N 3.78 1.08 0.99 -1.27 0.31 -0.86 -1.63 118.33 120.73 2tsa n VAL 99 Ca 0.07 0.33 0.13 0.00 -0.01 0.00 0.00 64.34 64.86 2tsa n VAL 99 Cb 0.48 -1.20 0.58 0.00 -0.91 0.00 0.00 33.84 32.79 2tsa n VAL 99 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2tsa n SER 100 N -1.84 0.00 0.19 4.52 3.41 -1.26 -1.36 113.62 117.28 2tsa n SER 100 Ca 0.02 0.34 0.06 0.00 -0.26 0.00 0.00 58.87 59.03 2tsa n SER 100 Cb 0.15 -0.44 0.31 0.00 -0.26 0.00 0.00 64.21 63.97 2tsa n SER 100 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2tsa h LYS 101 N 0.00 0.00 -5.96 4.33 1.79 -1.71 -3.45 116.57 111.57 2tsa h LYS 101 Ca 0.00 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.86 2tsa h LYS 101 Cb 0.39 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.98 2tsa h LYS 101 CO 0.00 0.37 -0.23 -0.51 -1.08 0.00 0.00 179.45 178.00 2tsa s LEU 102 N -6.90 4.46 0.15 2.94 1.43 -0.46 -5.11 118.68 115.18 2tsa s LEU 102 Ca 0.01 0.91 0.11 0.00 -1.03 0.00 0.00 54.13 54.13 2tsa s LEU 102 Cb 0.10 -2.54 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 2tsa s LEU 102 CO 0.69 0.32 -0.25 -1.59 0.23 0.00 0.00 176.35 175.74 2tsa s LYS 103 N -1.00 1.46 0.17 1.70 -2.85 -1.26 -5.02 119.74 112.94 2tsa s LYS 103 Ca 0.23 -1.38 -0.04 0.00 -1.00 0.00 0.00 55.97 53.77 2tsa s LYS 103 Cb -0.16 -1.90 -0.05 0.00 -2.06 0.00 0.00 37.83 33.65 2tsa s LYS 103 CO 0.12 0.44 0.40 -1.83 0.10 0.00 0.00 175.35 174.58 2tsa s GLU 104 N -2.23 3.61 0.00 1.78 -1.05 -1.26 -4.00 118.70 115.55 2tsa s GLU 104 Ca 0.16 -0.10 0.00 0.00 -0.15 0.00 0.00 54.97 54.88 2tsa s GLU 104 Cb -0.09 -2.82 0.00 0.00 -0.44 0.00 0.00 34.13 30.77 2tsa s GLU 104 CO 0.07 0.43 0.00 0.41 0.95 0.00 0.00 175.26 177.13 2tsa n GLY 105 N -0.10 1.29 2.87 -3.83 0.00 -1.26 -5.08 105.19 99.07 2tsa n GLY 105 Ca -0.02 -0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.63 0.17 -0.16 1.61 2.12 -1.26 -5.14 118.70 115.42 2tsa s GLU 106 Ca 0.00 -0.00 -0.10 0.00 0.36 0.00 0.00 54.97 55.23 2tsa s GLU 106 Cb 0.00 -0.25 -0.05 0.00 0.26 0.00 0.00 34.13 34.10 2tsa s GLU 106 CO 0.00 -0.03 0.16 -1.14 -0.54 0.00 0.00 175.26 173.71 2tsa s GLN 107 N 0.36 3.95 0.14 4.30 -0.44 -1.26 -4.84 119.66 121.85 2tsa s GLN 107 Ca -0.03 -0.13 0.10 0.00 -2.50 0.00 0.00 55.36 52.80 2tsa s GLN 107 Cb -0.06 -3.34 -0.04 0.00 -1.64 0.00 0.00 33.01 27.94 2tsa s GLN 107 CO -0.01 0.46 -0.21 0.71 0.50 0.00 0.00 175.29 176.75 2tsa s TYR 108 N -0.13 2.45 0.03 1.67 2.02 -1.18 -1.54 117.35 120.67 2tsa s TYR 108 Ca 0.12 -0.30 0.05 0.00 -0.37 0.00 0.00 57.07 56.57 2tsa s TYR 108 Cb -0.12 -1.29 -0.02 0.00 -0.40 0.00 0.00 41.96 40.13 2tsa s TYR 108 CO 0.01 0.40 -0.15 -1.64 -1.57 0.00 0.00 175.55 172.60 2tsa s MET 109 N -2.24 1.01 0.08 -0.62 -1.94 0.24 -1.48 119.30 114.35 2tsa s MET 109 Ca 0.18 -0.74 0.09 0.00 -1.71 0.00 0.00 55.69 53.52 2tsa s MET 109 Cb -0.10 -1.02 -0.03 0.00 2.01 0.00 0.00 34.83 35.68 2tsa s MET 109 CO 0.09 0.26 -0.24 -0.59 -0.01 0.00 0.00 175.02 174.53 2tsa s PHE 110 N -0.76 2.38 0.05 -0.03 -0.12 0.01 -2.18 117.98 117.32 2tsa s PHE 110 Ca 0.03 -0.36 -0.28 0.00 -0.05 0.00 0.00 56.93 56.27 2tsa s PHE 110 Cb -0.08 -1.35 0.09 0.00 -0.63 0.00 0.00 43.02 41.05 2tsa s PHE 110 CO 0.01 0.25 1.00 -0.59 -0.05 0.00 0.00 175.22 175.83 2tsa s PHE 111 N -0.95 -0.19 -0.12 3.49 -0.71 -0.62 -0.80 117.98 118.08 2tsa s PHE 111 Ca 0.14 -0.01 -0.12 0.00 -1.04 0.00 0.00 56.93 55.89 2tsa s PHE 111 Cb -0.10 0.58 -0.05 0.00 -1.21 0.00 0.00 43.02 42.25 2tsa s PHE 111 CO 0.05 -0.61 0.27 0.00 -1.34 0.00 0.00 175.22 173.59 2tsa n THR 113 N 2.88 0.53 -1.94 0.00 -2.24 -1.26 -3.26 114.28 108.98 2tsa n THR 113 Ca -0.14 -0.60 -0.41 0.00 -2.27 0.00 0.00 64.05 60.62 2tsa n THR 113 Cb 0.53 0.46 -0.01 0.00 -2.10 0.00 0.00 70.33 69.20 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 -1.47 2.85 -0.46 4.78 2.19 -1.26 -4.38 117.98 120.22 2tsa s PHE 114 Ca 0.34 1.15 -0.42 0.00 0.33 0.00 0.00 56.93 58.33 2tsa s PHE 114 Cb 0.18 -3.88 -0.18 0.00 -1.31 0.00 0.00 43.02 37.83 2tsa s PHE 114 CO 0.25 -2.67 1.79 -2.30 1.83 0.00 0.00 175.22 174.12 2tsa n PRO 115 N 1.27 0.00 0.00 10.12 -0.02 -1.26 -1.72 135.00 143.39 2tsa n PRO 115 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2tsa n PRO 115 Cb 0.40 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 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 5.72 2.53 0.13 -1.23 0.00 -1.26 -4.91 105.19 106.17 2tsa n GLY 116 Ca 0.43 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.23 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 0.82 -0.56 1.61 3.86 -1.62 -3.36 115.15 115.90 2tsa h HIS 117 Ca 0.00 -0.60 0.16 0.00 -1.16 0.00 0.00 60.37 58.77 2tsa h HIS 117 Cb 0.00 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.41 2tsa h HIS 117 CO 0.00 1.47 0.98 0.77 0.86 0.00 0.00 177.93 182.01 2tsa h SER 118 N 0.12 0.00 0.39 2.45 0.02 -1.73 0.29 113.55 115.09 2tsa h SER 118 Ca -0.22 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.59 2tsa h SER 118 Cb 2.11 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.64 2tsa h SER 118 CO 0.25 0.00 -0.60 0.00 -1.14 0.00 0.00 176.83 175.34 2tsa h ALA 119 N 0.56 0.87 0.00 3.77 0.00 -1.91 -3.38 119.26 119.17 2tsa h ALA 119 Ca 0.27 -0.54 -0.32 0.00 0.00 0.00 0.00 54.91 54.31 2tsa h ALA 119 Cb 2.22 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 19.87 2tsa h ALA 119 CO -0.00 0.73 -2.16 1.28 0.00 0.00 0.00 179.25 179.10 2tsa n LEU 120 N -3.87 2.49 -4.40 0.00 4.32 0.79 -4.86 117.00 111.46 2tsa n LEU 120 Ca -0.02 0.02 -0.44 0.00 -0.02 0.00 0.00 56.01 55.54 2tsa n LEU 120 Cb 0.61 -0.68 0.00 0.00 -1.62 0.00 0.00 43.42 41.74 2tsa n LEU 120 CO 0.44 0.71 1.37 0.00 -1.22 0.00 0.00 177.39 178.69 2tsa n ALA 121 N -3.38 4.05 -3.24 -1.18 0.00 0.09 -4.70 120.51 112.15 2tsa n ALA 121 Ca -0.38 -4.31 -0.10 0.00 0.00 0.00 0.00 53.44 48.66 2tsa n ALA 121 Cb 0.85 -2.97 -0.04 0.00 0.00 0.00 0.00 19.45 17.29 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 1.09 1.33 0.09 0.00 -2.85 -1.26 -1.79 119.74 116.36 2tsa s LYS 122 Ca 0.41 -0.85 -0.25 0.00 -1.00 0.00 0.00 55.97 54.28 2tsa s LYS 122 Cb -0.03 0.51 0.09 0.00 -2.06 0.00 0.00 37.83 36.34 2tsa s LYS 122 CO -0.01 -0.56 1.15 0.20 0.10 0.00 0.00 175.35 176.23 2tsa s GLY 123 N -2.87 -0.04 0.11 0.59 0.00 0.02 -4.80 107.32 100.34 2tsa s GLY 123 Ca 0.09 -0.09 0.02 0.00 0.00 0.00 0.00 44.72 44.73 2tsa s GLY 123 CO -0.04 3.25 0.25 -0.51 0.00 0.00 0.00 173.10 176.06 2tsa s THR 124 N -2.19 5.34 -0.07 0.90 -4.23 0.11 -0.81 115.64 114.69 2tsa s THR 124 Ca 0.23 -0.57 0.00 0.00 -1.18 0.00 0.00 61.69 60.18 2tsa s THR 124 Cb -0.01 -3.69 0.02 0.00 1.34 0.00 0.00 72.50 70.16 2tsa s THR 124 CO 0.02 0.00 -0.05 -0.22 -0.54 0.00 0.00 174.62 173.83 2tsa s LEU 125 N -2.94 1.20 -0.06 4.79 0.20 -0.55 -1.27 118.68 120.06 2tsa s LEU 125 Ca 0.35 -0.18 0.04 0.00 0.69 0.00 0.00 54.13 55.03 2tsa s LEU 125 Cb -0.12 -0.58 0.00 0.00 -0.43 0.00 0.00 46.19 45.07 2tsa s LEU 125 CO 0.28 -0.08 -0.17 0.42 -0.29 0.00 0.00 176.35 176.51 2tsa s THR 126 N 1.24 1.46 -0.93 3.68 -4.23 -0.43 -3.12 115.64 113.31 2tsa s THR 126 Ca -0.05 -0.70 -0.22 0.00 -1.18 0.00 0.00 61.69 59.53 2tsa s THR 126 Cb -0.14 -1.28 0.08 0.00 1.34 0.00 0.00 72.50 72.51 2tsa s THR 126 CO -0.02 0.42 1.27 -0.22 -0.54 0.00 0.00 174.62 175.53 2tsa s LEU 127 N 0.27 4.15 0.00 4.79 2.96 -1.26 0.61 118.68 130.20 2tsa s LEU 127 Ca -0.10 -1.55 0.10 0.00 -0.22 0.00 0.00 54.13 52.36 2tsa s LEU 127 Cb -0.14 -2.49 0.08 0.00 0.50 0.00 0.00 46.19 44.14 2tsa s LEU 127 CO 0.04 -1.36 0.81 1.17 -1.32 0.00 0.00 176.35 175.68