#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 -1.73 0.00 2.13 -1.26 -4.28 120.64 115.49 2tsa n GLU 2 Ca 0.00 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 57.68 2tsa n GLU 2 Cb 0.00 0.00 0.07 0.00 0.27 0.00 0.00 31.44 31.78 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 -3.49 -0.58 0.03 0.00 1.04 -1.26 -0.91 113.70 108.53 2tsa s SER 4 Ca 0.46 0.09 -0.06 0.00 0.48 0.00 0.00 55.95 56.92 2tsa s SER 4 Cb 0.39 0.59 -0.01 0.00 0.10 0.00 0.00 66.02 67.10 2tsa s SER 4 CO 0.00 -0.92 0.11 0.54 0.98 0.00 0.00 173.24 173.95 2tsa s VAL 5 N -3.42 0.12 -0.27 5.02 0.11 -0.19 -3.51 120.40 118.26 2tsa s VAL 5 Ca -0.01 -0.97 -0.06 0.00 -2.93 0.00 0.00 61.98 58.01 2tsa s VAL 5 Cb -0.01 -0.76 -0.00 0.00 -1.53 0.00 0.00 36.38 34.08 2tsa s VAL 5 CO -0.10 -0.53 0.05 -1.81 -3.33 0.00 0.00 175.10 169.38 2tsa s ASP 6 N -1.91 4.96 -0.02 3.54 1.01 -1.26 -1.24 116.67 121.74 2tsa s ASP 6 Ca -0.08 -0.55 0.03 0.00 0.71 0.00 0.00 52.55 52.67 2tsa s ASP 6 Cb -0.03 -1.86 -0.03 0.00 1.01 0.00 0.00 42.92 42.01 2tsa s ASP 6 CO -0.03 -0.13 -0.11 -0.63 0.21 0.00 0.00 175.17 174.49 2tsa s ILE 7 N 1.52 3.34 -0.01 0.77 1.01 0.14 -4.96 121.20 123.01 2tsa s ILE 7 Ca 0.04 -0.76 0.08 0.00 0.00 0.00 0.00 60.65 60.00 2tsa s ILE 7 Cb -0.16 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 39.90 2tsa s ILE 7 CO 0.01 0.49 -0.24 -1.10 0.00 0.00 0.00 174.94 174.10 2tsa s GLN 8 N -1.08 1.94 -0.07 2.79 -0.21 -1.26 -2.05 119.66 119.71 2tsa s GLN 8 Ca 0.14 -0.88 0.03 0.00 0.02 0.00 0.00 55.36 54.67 2tsa s GLN 8 Cb -0.11 -1.89 -0.02 0.00 1.00 0.00 0.00 33.01 31.99 2tsa s GLN 8 CO 0.04 0.52 -0.13 0.20 -2.12 0.00 0.00 175.29 173.79 2tsa s GLY 9 N -0.61 1.55 0.00 3.09 0.00 -0.96 -1.13 107.32 109.26 2tsa s GLY 9 Ca 0.09 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.86 2tsa s GLY 9 CO -0.01 -0.64 0.00 1.16 0.00 0.00 0.00 173.10 173.61 2tsa n ASN 10 N 2.54 1.82 -0.35 1.64 0.23 -0.17 -3.16 115.26 117.81 2tsa n ASN 10 Ca -0.17 -0.47 0.02 0.00 -0.53 0.00 0.00 54.58 53.43 2tsa n ASN 10 Cb 0.52 0.00 0.07 0.00 -2.08 0.00 0.00 39.78 38.29 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 -0.55 0.97 -0.19 0.53 8.00 -1.26 -2.86 116.55 121.18 2tsa n ASP 11 Ca 0.00 -2.03 0.10 0.00 0.71 0.00 0.00 54.79 53.57 2tsa n ASP 11 Cb 0.00 -0.17 0.16 0.00 -0.02 0.00 0.00 41.12 41.09 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 -0.04 1.47 -1.98 -1.24 3.00 -1.26 -4.95 117.38 112.38 2tsa n GLN 12 Ca 0.05 -2.65 -0.16 0.00 -0.01 0.00 0.00 57.00 54.23 2tsa n GLN 12 Cb 0.17 -1.55 -0.03 0.00 0.00 0.00 0.00 30.24 28.84 2tsa n GLN 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 2tsa n MET 13 N -1.32 -1.20 -4.36 -1.09 1.56 -1.13 -4.99 117.12 104.59 2tsa n MET 13 Ca 0.17 0.88 -0.22 0.00 -0.27 0.00 0.00 57.70 58.26 2tsa n MET 13 Cb 0.67 -5.18 -0.11 0.00 2.15 0.00 0.00 33.22 30.76 2tsa n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 2tsa s GLN 14 N -4.24 1.34 -0.04 2.12 -0.21 -1.26 -3.49 119.66 113.89 2tsa s GLN 14 Ca 0.00 -1.49 -0.03 0.00 0.02 0.00 0.00 55.36 53.86 2tsa s GLN 14 Cb 0.00 -1.38 -0.04 0.00 1.00 0.00 0.00 33.01 32.59 2tsa s GLN 14 CO 0.00 0.27 0.15 -0.06 -2.12 0.00 0.00 175.29 173.53 2tsa s PHE 15 N -2.23 3.50 -1.04 0.91 0.08 -1.26 -1.00 117.98 116.94 2tsa s PHE 15 Ca 0.19 0.37 0.16 0.00 0.12 0.00 0.00 56.93 57.77 2tsa s PHE 15 Cb -0.05 -1.84 0.72 0.00 -0.57 0.00 0.00 43.02 41.28 2tsa s PHE 15 CO 0.08 0.65 1.52 0.27 -0.10 0.00 0.00 175.22 177.64 2tsa n ASN 16 N 1.28 0.00 -3.94 1.36 6.94 -0.28 -4.72 115.26 115.90 2tsa n ASN 16 Ca -0.14 0.46 -0.10 0.00 -0.02 0.00 0.00 54.58 54.78 2tsa n ASN 16 Cb 0.53 -0.48 -0.12 0.00 -2.36 0.00 0.00 39.78 37.35 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 -2.96 0.08 -0.01 5.53 -1.32 -1.26 -5.02 115.64 110.68 2tsa s THR 17 Ca 0.09 -0.58 0.02 0.00 -1.21 0.00 0.00 61.69 60.00 2tsa s THR 17 Cb 0.11 -0.18 0.02 0.00 -1.51 0.00 0.00 72.50 70.95 2tsa s THR 17 CO 0.30 -0.32 1.00 0.59 -2.21 0.00 0.00 174.62 173.98 2tsa n ASN 18 N 2.13 1.97 -3.68 8.08 4.13 -1.26 -4.79 115.26 121.84 2tsa n ASN 18 Ca -0.20 -2.07 -0.10 0.00 1.68 0.00 0.00 54.58 53.90 2tsa n ASN 18 Cb 0.57 -0.04 -0.10 0.00 -1.54 0.00 0.00 39.78 38.67 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 -1.13 -1.16 0.03 5.41 0.00 -1.26 -1.59 121.76 122.06 2tsa s ALA 19 Ca 0.03 1.62 0.07 0.00 0.00 0.00 0.00 51.96 53.67 2tsa s ALA 19 Cb 0.02 -1.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.06 2tsa s ALA 19 CO 0.00 -0.38 -0.19 0.42 0.00 0.00 0.00 175.76 175.61 2tsa s ILE 20 N 1.68 1.55 -0.10 0.00 1.01 0.64 -4.96 121.20 121.02 2tsa s ILE 20 Ca -0.08 -1.08 0.03 0.00 0.00 0.00 0.00 60.65 59.52 2tsa s ILE 20 Cb -0.09 -1.34 0.01 0.00 0.01 0.00 0.00 42.46 41.05 2tsa s ILE 20 CO -0.14 0.23 -0.20 -0.89 0.00 0.00 0.00 174.94 173.94 2tsa s THR 21 N -0.72 1.77 -0.23 2.92 2.01 -1.26 -0.85 115.64 119.29 2tsa s THR 21 Ca 0.07 -0.84 -0.05 0.00 0.31 0.00 0.00 61.69 61.17 2tsa s THR 21 Cb -0.08 -1.56 -0.02 0.00 0.01 0.00 0.00 72.50 70.85 2tsa s THR 21 CO 0.01 0.50 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.74 2tsa s VAL 22 N 0.54 3.70 0.05 3.82 1.01 0.14 -4.88 120.40 124.78 2tsa s VAL 22 Ca -0.15 -0.38 -0.31 0.00 0.00 0.00 0.00 61.98 61.14 2tsa s VAL 22 Cb -0.17 -2.70 -0.07 0.00 0.00 0.00 0.00 36.38 33.44 2tsa s VAL 22 CO 0.05 0.40 1.41 -0.62 0.00 0.00 0.00 175.10 176.34 2tsa s ASP 23 N 1.49 6.83 0.58 3.32 -1.08 -1.26 0.63 116.67 127.17 2tsa s ASP 23 Ca 0.06 2.22 0.27 0.00 -0.52 0.00 0.00 52.55 54.58 2tsa s ASP 23 Cb -0.15 -2.57 1.61 0.00 -1.46 0.00 0.00 42.92 40.36 2tsa s ASP 23 CO -0.01 -0.70 2.12 0.11 0.52 0.00 0.00 175.17 177.21 2tsa h LYS 24 N 7.44 0.00 0.00 4.34 1.57 -1.93 -1.60 116.57 126.39 2tsa h LYS 24 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 2tsa h LYS 24 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 2tsa h LYS 24 CO 0.89 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 178.64 2tsa n SER 25 N -3.95 0.00 -4.75 0.86 3.41 -1.26 -4.75 113.62 103.19 2tsa n SER 25 Ca 0.01 -1.39 -0.38 0.00 -0.26 0.00 0.00 58.87 56.86 2tsa n SER 25 Cb 0.29 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.18 2tsa n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2tsa h LYS 27 N 6.28 0.48 -4.96 0.00 1.57 -1.88 -3.43 116.57 114.64 2tsa h LYS 27 Ca -0.43 -0.83 -0.37 0.00 -1.87 0.00 0.00 60.65 57.15 2tsa h LYS 27 Cb 1.18 0.31 -0.14 0.00 0.08 0.00 0.00 32.23 33.66 2tsa h LYS 27 CO 0.73 1.39 -0.62 -0.65 -0.57 0.00 0.00 179.45 179.73 2tsa s GLN 28 N -2.60 1.45 0.01 3.15 -0.21 -1.26 -1.39 119.66 118.80 2tsa s GLN 28 Ca -0.11 -1.78 0.01 0.00 0.02 0.00 0.00 55.36 53.51 2tsa s GLN 28 Cb 0.05 -0.39 -0.01 0.00 1.00 0.00 0.00 33.01 33.66 2tsa s GLN 28 CO 0.92 -0.26 -0.05 0.12 -2.12 0.00 0.00 175.29 173.89 2tsa s PHE 29 N -3.65 0.44 -0.09 0.91 5.36 -0.71 -4.79 117.98 115.44 2tsa s PHE 29 Ca 0.37 -0.19 0.04 0.00 -0.96 0.00 0.00 56.93 56.19 2tsa s PHE 29 Cb 0.08 -0.28 0.00 0.00 -0.34 0.00 0.00 43.02 42.48 2tsa s PHE 29 CO 0.14 -0.03 -0.23 0.99 -1.46 0.00 0.00 175.22 174.62 2tsa s THR 30 N -0.45 1.98 -0.19 0.12 2.01 -0.09 -1.27 115.64 117.75 2tsa s THR 30 Ca -0.02 -0.98 -0.03 0.00 0.31 0.00 0.00 61.69 60.98 2tsa s THR 30 Cb -0.04 -1.71 -0.01 0.00 0.01 0.00 0.00 72.50 70.74 2tsa s THR 30 CO -0.00 0.54 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.73 2tsa s VAL 31 N 0.34 3.46 -0.23 3.82 1.01 -0.10 -1.02 120.40 127.68 2tsa s VAL 31 Ca -0.18 -0.48 -0.07 0.00 0.00 0.00 0.00 61.98 61.25 2tsa s VAL 31 Cb -0.18 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 2tsa s VAL 31 CO 0.08 0.46 0.06 0.20 0.00 0.00 0.00 175.10 175.90 2tsa s ASN 32 N 1.00 5.19 -0.16 3.32 0.01 -0.38 -1.69 114.94 122.23 2tsa s ASN 32 Ca 0.00 -0.14 -0.02 0.00 -0.71 0.00 0.00 52.86 51.99 2tsa s ASN 32 Cb -0.15 -1.92 -0.02 0.00 0.41 0.00 0.00 41.25 39.58 2tsa s ASN 32 CO 0.00 0.03 -0.08 -0.22 -1.51 0.00 0.00 177.10 175.32 2tsa s LEU 33 N 1.23 2.90 0.40 0.60 2.96 0.99 0.27 118.68 128.02 2tsa s LEU 33 Ca 0.04 -0.30 0.04 0.00 -0.22 0.00 0.00 54.13 53.69 2tsa s LEU 33 Cb -0.14 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 2tsa s LEU 33 CO 0.03 0.11 0.07 -0.94 -1.32 0.00 0.00 176.35 174.30 2tsa s SER 34 N 0.70 3.01 -0.33 3.68 1.04 -0.87 -0.74 113.70 120.19 2tsa s SER 34 Ca -0.04 -1.55 -0.01 0.00 0.48 0.00 0.00 55.95 54.83 2tsa s SER 34 Cb -0.15 0.24 0.13 0.00 0.10 0.00 0.00 66.02 66.34 2tsa s SER 34 CO 0.02 -0.77 0.21 -2.28 0.98 0.00 0.00 173.24 171.40 2tsa s HIS 35 N -3.13 0.38 -2.00 5.02 2.46 -1.21 -2.27 115.29 114.53 2tsa s HIS 35 Ca 0.25 -1.17 0.02 0.00 0.47 0.00 0.00 55.06 54.63 2tsa s HIS 35 Cb 0.05 -0.81 0.11 0.00 -0.13 0.00 0.00 32.58 31.80 2tsa s HIS 35 CO 0.13 -0.85 0.43 -0.35 -2.47 0.00 0.00 174.74 171.63 2tsa n PRO 36 N 4.56 0.10 0.00 2.88 -0.04 -1.19 -2.30 135.00 139.01 2tsa n PRO 36 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2tsa n PRO 36 Cb 0.40 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.63 1.27 0.00 0.55 0.00 -1.26 -4.92 105.19 100.20 2tsa n GLY 37 Ca 0.01 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.44 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 0.25 -4.87 1.61 4.13 -1.26 -4.57 115.26 110.55 2tsa n ASN 38 Ca 0.00 -1.07 -0.34 0.00 1.68 0.00 0.00 54.58 54.85 2tsa n ASN 38 Cb 0.00 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.18 2tsa n ASN 38 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2tsa s LEU 39 N -0.07 4.26 0.98 3.41 1.43 -1.26 -4.93 118.68 122.50 2tsa s LEU 39 Ca 0.00 0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 53.31 2tsa s LEU 39 Cb 0.00 -2.41 0.18 0.00 0.03 0.00 0.00 46.19 43.99 2tsa s LEU 39 CO 0.00 0.30 1.08 -2.16 0.23 0.00 0.00 176.35 175.80 2tsa s PRO 40 N -1.68 0.59 0.00 1.29 0.04 -1.26 -1.85 135.00 132.13 2tsa s PRO 40 Ca 0.23 0.85 0.23 0.00 0.04 0.00 0.00 61.00 62.35 2tsa s PRO 40 Cb -0.12 -1.73 1.06 0.00 0.04 0.00 0.00 34.50 33.75 2tsa s PRO 40 CO 0.14 -2.71 1.72 0.36 0.04 0.00 0.00 177.00 176.56 2tsa n LYS 41 N -4.21 1.43 0.10 4.56 2.85 -1.26 -0.24 118.16 121.39 2tsa n LYS 41 Ca 0.06 -0.63 0.12 0.00 -1.05 0.00 0.00 58.31 56.81 2tsa n LYS 41 Cb 0.55 -1.40 0.01 0.00 -0.65 0.00 0.00 35.03 33.54 2tsa n LYS 41 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 2tsa n ASN 42 N -0.18 0.83 -0.12 -5.58 0.23 -1.26 -3.32 115.26 105.86 2tsa n ASN 42 Ca 0.17 0.30 -0.23 0.00 -0.53 0.00 0.00 54.58 54.29 2tsa n ASN 42 Cb 0.23 0.45 -0.09 0.00 -2.08 0.00 0.00 39.78 38.30 2tsa n ASN 42 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 2tsa n VAL 43 N -2.62 1.30 -2.91 3.53 0.31 -1.14 -4.81 118.33 112.00 2tsa n VAL 43 Ca 0.00 -0.37 -0.15 0.00 -0.01 0.00 0.00 64.34 63.80 2tsa n VAL 43 Cb 0.54 -1.68 -0.00 0.00 -0.91 0.00 0.00 33.84 31.78 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 -3.82 1.36 -3.00 5.55 1.56 0.67 -5.02 117.12 114.41 2tsa n MET 44 Ca -0.45 -3.50 -0.37 0.00 -0.27 0.00 0.00 57.70 53.11 2tsa n MET 44 Cb 0.86 -1.58 -0.06 0.00 2.15 0.00 0.00 33.22 34.58 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 -2.86 2.69 -0.01 -5.12 0.00 -1.21 -4.74 107.32 96.07 2tsa s GLY 45 Ca 0.36 0.28 0.03 0.00 0.00 0.00 0.00 44.72 45.38 2tsa s GLY 45 CO -0.04 0.67 -0.09 0.30 0.00 0.00 0.00 173.10 173.95 2tsa s HIS 46 N -1.52 0.79 0.46 1.90 3.76 -0.78 -4.69 115.29 115.20 2tsa s HIS 46 Ca 0.44 -0.15 0.03 0.00 -0.15 0.00 0.00 55.06 55.23 2tsa s HIS 46 Cb -0.18 -0.51 -0.02 0.00 1.11 0.00 0.00 32.58 32.98 2tsa s HIS 46 CO 0.22 -0.02 0.07 0.54 -0.85 0.00 0.00 174.74 174.70 2tsa s ASN 47 N -0.18 3.41 -0.23 1.40 2.20 -1.26 -1.13 114.94 119.15 2tsa s ASN 47 Ca 0.03 -1.67 -0.03 0.00 -0.94 0.00 0.00 52.86 50.25 2tsa s ASN 47 Cb -0.04 0.51 0.08 0.00 -2.00 0.00 0.00 41.25 39.80 2tsa s ASN 47 CO -0.00 -0.90 0.07 0.86 -2.94 0.00 0.00 177.10 174.19 2tsa s TRP 48 N -3.05 0.93 0.05 1.54 -0.00 -1.26 -4.13 118.94 113.03 2tsa s TRP 48 Ca 0.16 -0.98 0.06 0.00 -0.00 0.00 0.00 56.10 55.34 2tsa s TRP 48 Cb 0.02 -1.10 -0.04 0.00 -0.00 0.00 0.00 33.47 32.35 2tsa s TRP 48 CO 0.09 -0.69 -0.11 0.08 -0.00 0.00 0.00 176.95 176.32 2tsa s VAL 49 N 1.89 3.33 -0.05 5.86 1.01 0.09 -1.92 120.40 130.60 2tsa s VAL 49 Ca 0.03 -1.07 0.03 0.00 0.00 0.00 0.00 61.98 60.97 2tsa s VAL 49 Cb -0.17 -2.48 0.01 0.00 0.00 0.00 0.00 36.38 33.74 2tsa s VAL 49 CO -0.17 0.27 -0.13 -0.22 0.00 0.00 0.00 175.10 174.85 2tsa s LEU 50 N -1.74 1.73 0.31 3.92 2.96 -0.69 -1.42 118.68 123.74 2tsa s LEU 50 Ca 0.18 -0.29 -0.13 0.00 -0.22 0.00 0.00 54.13 53.67 2tsa s LEU 50 Cb -0.11 -0.81 0.02 0.00 0.50 0.00 0.00 46.19 45.79 2tsa s LEU 50 CO 0.10 0.06 0.61 -0.94 -1.32 0.00 0.00 176.35 174.86 2tsa s SER 51 N 0.44 0.12 0.85 3.68 1.04 -0.95 0.57 113.70 119.47 2tsa s SER 51 Ca -0.10 -1.05 -0.11 0.00 0.48 0.00 0.00 55.95 55.17 2tsa s SER 51 Cb -0.14 0.70 0.10 0.00 0.10 0.00 0.00 66.02 66.79 2tsa s SER 51 CO 0.03 -1.36 1.09 0.42 0.98 0.00 0.00 173.24 174.40 2tsa s THR 52 N -3.33 2.87 0.16 2.02 -4.23 -1.26 -1.00 115.64 110.87 2tsa s THR 52 Ca 0.20 0.28 -0.15 0.00 -1.18 0.00 0.00 61.69 60.84 2tsa s THR 52 Cb -0.03 -2.81 0.04 0.00 1.34 0.00 0.00 72.50 71.04 2tsa s THR 52 CO 0.12 -0.37 1.80 0.00 -0.54 0.00 0.00 174.62 175.62 2tsa h ALA 53 N -1.38 0.55 -0.94 3.99 0.00 0.22 -2.06 119.26 119.64 2tsa h ALA 53 Ca -0.48 0.00 0.15 0.00 0.00 0.00 0.00 54.91 54.58 2tsa h ALA 53 Cb 1.27 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 2tsa h ALA 53 CO 0.55 -0.09 0.60 0.00 0.00 0.00 0.00 179.25 180.31 2tsa h ALA 54 N 1.21 1.75 0.00 0.00 0.00 -1.91 -1.82 119.26 118.48 2tsa h ALA 54 Ca 0.18 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2tsa h ALA 54 Cb 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2tsa h ALA 54 CO -0.10 -0.01 -0.47 -0.44 0.00 0.00 0.00 179.25 178.24 2tsa h ASP 55 N 0.77 0.00 -0.86 0.00 5.19 -1.85 -3.40 116.42 116.27 2tsa h ASP 55 Ca 0.48 -0.01 0.08 0.00 -0.62 0.00 0.00 57.03 56.95 2tsa h ASP 55 Cb 0.70 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 40.11 2tsa h ASP 55 CO -0.24 0.01 -0.51 0.80 -3.12 0.00 0.00 179.24 176.18 2tsa n MET 56 N -2.81 -0.38 -0.20 3.56 1.56 -0.69 -1.85 117.12 116.31 2tsa n MET 56 Ca 0.02 1.38 -0.01 0.00 -0.27 0.00 0.00 57.70 58.82 2tsa n MET 56 Cb 0.53 -2.03 0.06 0.00 2.15 0.00 0.00 33.22 33.93 2tsa n MET 56 CO 0.00 0.00 0.00 1.96 -0.73 0.00 0.00 175.97 177.20 2tsa h GLN 57 N 0.00 0.01 0.14 2.12 1.08 -1.78 -1.38 115.11 115.30 2tsa h GLN 57 Ca 0.14 -0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.35 2tsa h GLN 57 Cb 0.35 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.75 2tsa h GLN 57 CO -0.81 0.01 -0.23 0.78 -0.95 0.00 0.00 178.83 177.64 2tsa h GLY 58 N 0.01 -0.43 0.42 3.46 0.00 -1.65 -1.31 103.07 103.57 2tsa h GLY 58 Ca 0.29 0.26 0.06 0.00 0.00 0.00 0.00 47.33 47.95 2tsa h GLY 58 CO -0.61 -0.20 -0.02 -2.08 0.00 0.00 0.00 176.54 173.63 2tsa h VAL 59 N -0.43 0.72 -0.20 4.60 2.07 -1.07 0.12 116.25 122.06 2tsa h VAL 59 Ca 0.02 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.54 2tsa h VAL 59 Cb 0.44 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 2tsa h VAL 59 CO -0.11 0.01 0.06 0.58 0.02 0.00 0.00 177.57 178.13 2tsa h VAL 60 N 0.07 0.94 0.53 2.57 2.07 -1.22 0.16 116.25 121.37 2tsa h VAL 60 Ca 0.17 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.61 2tsa h VAL 60 Cb 0.24 0.78 0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2tsa h VAL 60 CO -0.30 0.03 -0.25 0.74 0.02 0.00 0.00 177.57 177.81 2tsa h THR 61 N 0.15 0.41 -0.79 2.57 2.02 -0.83 -1.34 112.91 115.11 2tsa h THR 61 Ca 0.09 -0.28 0.11 0.00 0.77 0.00 0.00 66.41 67.09 2tsa h THR 61 Cb 0.06 0.53 -0.08 0.00 -1.74 0.00 0.00 68.15 66.92 2tsa h THR 61 CO -0.09 0.04 0.41 0.44 0.37 0.00 0.00 175.52 176.69 2tsa h ASP 62 N -0.90 0.54 -0.63 4.18 5.19 -0.76 -2.41 116.42 121.63 2tsa h ASP 62 Ca -0.07 0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.39 2tsa h ASP 62 Cb 0.61 -0.03 -0.03 0.00 0.18 0.00 0.00 39.33 40.07 2tsa h ASP 62 CO 0.12 0.28 0.35 1.23 -3.12 0.00 0.00 179.24 178.10 2tsa h GLY 63 N 0.66 0.93 2.00 2.75 0.00 -0.52 -1.89 103.07 107.00 2tsa h GLY 63 Ca 0.40 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2tsa h GLY 63 CO -0.30 0.40 0.00 1.15 0.00 0.00 0.00 176.54 177.79 2tsa n MET 64 N -4.56 0.10 -0.03 4.80 0.00 -0.52 -2.15 117.12 114.76 2tsa n MET 64 Ca 0.04 0.33 -0.10 0.00 0.00 0.00 0.00 57.70 57.97 2tsa n MET 64 Cb 0.08 -1.69 0.04 0.00 0.00 0.00 0.00 33.22 31.65 2tsa n MET 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2tsa h ALA 65 N 2.40 0.67 0.00 3.17 0.00 -1.18 -3.30 119.26 121.03 2tsa h ALA 65 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2tsa h ALA 65 Cb 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2tsa h ALA 65 CO 0.00 0.68 0.00 0.77 0.00 0.00 0.00 179.25 180.70 2tsa h SER 66 N 0.53 0.00 -3.90 0.00 0.02 -1.31 -3.50 113.55 105.39 2tsa h SER 66 Ca 0.02 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.05 2tsa h SER 66 Cb 1.05 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.56 2tsa h SER 66 CO 0.10 0.00 -0.20 0.61 -1.14 0.00 0.00 176.83 176.20 2tsa n GLY 67 N 0.44 -2.28 0.37 -3.77 0.00 -1.24 -4.21 105.19 94.49 2tsa n GLY 67 Ca 0.02 -1.40 -0.07 0.00 0.00 0.00 0.00 46.02 44.56 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 -0.28 -1.33 0.00 0.99 6.46 -1.93 -0.16 115.31 119.06 2tsa h LEU 68 Ca -0.02 0.23 0.00 0.00 -0.12 0.00 0.00 57.88 57.96 2tsa h LEU 68 Cb 0.28 0.62 0.00 0.00 -0.73 0.00 0.00 40.66 40.82 2tsa h LEU 68 CO 0.01 -0.33 0.00 -0.90 -0.62 0.00 0.00 178.44 176.60 2tsa n ASP 69 N -5.42 0.00 -0.07 1.25 5.75 -1.26 0.18 116.55 116.97 2tsa n ASP 69 Ca 0.02 0.28 0.08 0.00 -0.01 0.00 0.00 54.79 55.16 2tsa n ASP 69 Cb 0.35 -0.31 0.11 0.00 -1.03 0.00 0.00 41.12 40.24 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 -1.31 1.52 -2.08 0.11 4.01 -0.24 -4.97 118.16 115.20 2tsa n LYS 70 Ca 0.01 -2.34 -0.14 0.00 -0.51 0.00 0.00 58.31 55.33 2tsa n LYS 70 Cb 0.02 -1.38 -0.03 0.00 -0.51 0.00 0.00 35.03 33.14 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 -1.23 -4.18 -3.01 4.39 8.00 0.13 -1.97 116.55 118.69 2tsa n ASP 71 Ca 0.13 0.22 -0.22 0.00 0.71 0.00 0.00 54.79 55.62 2tsa n ASP 71 Cb 0.58 -3.63 0.03 0.00 -0.02 0.00 0.00 41.12 38.08 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 -2.99 -1.93 -3.90 1.24 4.01 -0.25 -4.82 117.16 108.53 2tsa n TYR 72 Ca -0.16 0.50 -0.14 0.00 -0.16 0.00 0.00 57.90 57.93 2tsa n TYR 72 Cb 0.57 -4.43 -0.15 0.00 -0.31 0.00 0.00 39.34 35.02 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 -6.66 1.59 -0.22 7.72 1.43 -0.83 -4.10 118.68 117.61 2tsa s LEU 73 Ca 0.29 -0.01 -0.29 0.00 -1.03 0.00 0.00 54.13 53.09 2tsa s LEU 73 Cb -0.13 -0.10 -0.01 0.00 0.03 0.00 0.00 46.19 45.98 2tsa s LEU 73 CO 0.36 -0.05 1.30 -0.75 0.23 0.00 0.00 176.35 177.45 2tsa s LYS 74 N 0.48 4.10 0.37 1.70 2.20 -1.26 -4.87 119.74 122.46 2tsa s LYS 74 Ca -0.04 1.52 -0.27 0.00 -0.36 0.00 0.00 55.97 56.81 2tsa s LYS 74 Cb -0.07 -3.82 -0.11 0.00 -1.51 0.00 0.00 37.83 32.32 2tsa s LYS 74 CO -0.01 -0.89 1.33 -0.35 -0.36 0.00 0.00 175.35 175.07 2tsa n PRO 75 N 6.92 2.19 -3.85 4.03 -0.04 -1.26 -2.44 135.00 140.56 2tsa n PRO 75 Ca 0.14 0.77 -0.26 0.00 -0.04 0.00 0.00 63.50 64.11 2tsa n PRO 75 Cb 0.45 -2.42 0.02 0.00 -0.04 0.00 0.00 33.50 31.51 2tsa n PRO 75 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2tsa n ASP 76 N 0.51 -2.86 -4.55 3.54 8.00 -1.26 -4.93 116.55 115.00 2tsa n ASP 76 Ca 0.04 -0.83 -0.43 0.00 0.71 0.00 0.00 54.79 54.29 2tsa n ASP 76 Cb 0.38 -3.83 -0.05 0.00 -0.02 0.00 0.00 41.12 37.60 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 -3.83 6.44 0.00 -2.24 -1.08 -1.02 -4.94 116.67 109.99 2tsa s ASP 77 Ca 0.34 -0.04 0.08 0.00 -0.52 0.00 0.00 52.55 52.41 2tsa s ASP 77 Cb -0.17 -2.39 0.47 0.00 -1.46 0.00 0.00 42.92 39.37 2tsa s ASP 77 CO 0.83 -0.92 0.89 -1.20 0.52 0.00 0.00 175.17 175.30 2tsa n SER 78 N 6.75 0.00 -0.01 -0.34 7.64 -1.26 -2.49 113.62 123.91 2tsa n SER 78 Ca 0.03 -0.36 0.10 0.00 1.01 0.00 0.00 58.87 59.65 2tsa n SER 78 Cb 0.48 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.53 2tsa n SER 78 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2tsa n ARG 79 N -0.91 0.60 -2.60 1.43 1.74 -1.26 -4.88 116.66 110.78 2tsa n ARG 79 Ca 0.06 -0.16 -0.43 0.00 -0.77 0.00 0.00 57.85 56.55 2tsa n ARG 79 Cb 0.03 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 29.97 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 -3.32 4.30 0.12 1.55 1.01 -1.04 -4.36 120.40 118.66 2tsa s VAL 80 Ca -0.05 1.40 -0.03 0.00 0.00 0.00 0.00 61.98 63.30 2tsa s VAL 80 Cb 0.13 -4.50 -0.21 0.00 0.00 0.00 0.00 36.38 31.80 2tsa s VAL 80 CO 0.84 -0.78 1.26 0.40 0.00 0.00 0.00 175.10 176.82 2tsa h ILE 81 N 6.05 1.46 -1.92 2.22 2.04 -0.20 -3.48 117.51 123.68 2tsa h ILE 81 Ca -0.22 -2.70 -0.03 0.00 1.00 0.00 0.00 64.86 62.90 2tsa h ILE 81 Cb 1.06 2.61 -0.20 0.00 -0.74 0.00 0.00 36.82 39.56 2tsa h ILE 81 CO 1.09 0.80 0.25 0.00 0.00 0.00 0.00 178.15 180.28 2tsa s ALA 82 N -3.04 -1.80 0.07 1.87 0.00 -1.24 -5.00 121.76 112.62 2tsa s ALA 82 Ca -0.05 1.44 -0.25 0.00 0.00 0.00 0.00 51.96 53.11 2tsa s ALA 82 Cb 0.08 -0.26 0.07 0.00 0.00 0.00 0.00 23.12 23.01 2tsa s ALA 82 CO 0.87 -0.35 0.60 -3.38 0.00 0.00 0.00 175.76 173.49 2tsa s HIS 83 N -1.00 -0.54 0.58 0.00 -3.43 -1.26 -1.71 115.29 107.93 2tsa s HIS 83 Ca -0.08 0.59 0.07 0.00 -0.80 0.00 0.00 55.06 54.84 2tsa s HIS 83 Cb -0.01 0.46 0.08 0.00 -1.43 0.00 0.00 32.58 31.69 2tsa s HIS 83 CO 0.07 -0.73 0.80 0.95 -2.00 0.00 0.00 174.74 173.84 2tsa s THR 84 N -2.69 2.28 0.59 -5.38 -4.23 -0.81 -4.84 115.64 100.56 2tsa s THR 84 Ca -0.04 -0.90 -0.06 0.00 -1.18 0.00 0.00 61.69 59.51 2tsa s THR 84 Cb -0.01 -2.38 0.13 0.00 1.34 0.00 0.00 72.50 71.58 2tsa s THR 84 CO -0.04 0.00 0.81 0.29 -0.54 0.00 0.00 174.62 175.14 2tsa n LYS 85 N -2.31 -0.42 -4.19 3.99 5.02 -1.26 -4.66 118.16 114.32 2tsa n LYS 85 Ca 0.14 -1.63 -0.35 0.00 -2.02 0.00 0.00 58.31 54.45 2tsa n LYS 85 Cb 0.61 -0.72 -0.09 0.00 -0.02 0.00 0.00 35.03 34.82 2tsa n LYS 85 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2tsa s LEU 86 N 0.00 3.83 0.29 -0.35 2.96 -1.26 -4.38 118.68 119.77 2tsa s LEU 86 Ca 0.49 0.22 0.03 0.00 -0.22 0.00 0.00 54.13 54.65 2tsa s LEU 86 Cb -0.02 -1.90 -0.06 0.00 0.50 0.00 0.00 46.19 44.71 2tsa s LEU 86 CO 0.34 0.36 0.07 0.27 -1.32 0.00 0.00 176.35 176.06 2tsa s ILE 87 N -0.76 0.94 0.54 6.68 -4.36 -0.28 -4.88 121.20 119.08 2tsa s ILE 87 Ca 0.12 -2.00 0.02 0.00 -0.26 0.00 0.00 60.65 58.52 2tsa s ILE 87 Cb -0.12 -2.69 0.01 0.00 1.25 0.00 0.00 42.46 40.91 2tsa s ILE 87 CO 0.03 -0.03 0.12 -0.83 0.24 0.00 0.00 174.94 174.46 2tsa s GLY 88 N -3.40 2.91 0.35 6.27 0.00 -1.26 -1.87 107.32 110.31 2tsa s GLY 88 Ca 0.36 -0.37 -0.29 0.00 0.00 0.00 0.00 44.72 44.42 2tsa s GLY 88 CO 0.14 -2.14 1.49 -1.35 0.00 0.00 0.00 173.10 171.24 2tsa s SER 89 N -4.02 6.41 0.00 1.64 1.04 -0.77 -1.27 113.70 116.72 2tsa s SER 89 Ca 0.10 2.97 0.00 0.00 0.48 0.00 0.00 55.95 59.50 2tsa s SER 89 Cb -0.01 -2.66 0.00 0.00 0.10 0.00 0.00 66.02 63.46 2tsa s SER 89 CO 0.06 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.05 2tsa n GLY 90 N 0.93 1.15 3.90 7.32 0.00 -0.97 -4.94 105.19 112.58 2tsa n GLY 90 Ca 0.03 0.00 -0.20 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 -0.35 2.84 0.05 1.61 2.02 -0.40 -4.99 118.70 119.48 2tsa s GLU 91 Ca 0.00 -1.22 -0.05 0.00 0.02 0.00 0.00 54.97 53.72 2tsa s GLU 91 Cb 0.00 -2.59 -0.02 0.00 0.10 0.00 0.00 34.13 31.63 2tsa s GLU 91 CO 0.00 0.05 0.08 0.15 0.02 0.00 0.00 175.26 175.57 2tsa s LYS 92 N -4.07 0.64 -0.25 1.61 1.02 -1.26 -3.32 119.74 114.11 2tsa s LYS 92 Ca 0.43 -0.90 -0.26 0.00 0.02 0.00 0.00 55.97 55.26 2tsa s LYS 92 Cb -0.07 0.25 0.11 0.00 -0.52 0.00 0.00 37.83 37.60 2tsa s LYS 92 CO 0.28 -0.16 0.96 0.34 -0.92 0.00 0.00 175.35 175.86 2tsa s ASP 93 N -2.46 -0.49 0.13 2.83 2.15 0.08 -4.98 116.67 113.93 2tsa s ASP 93 Ca -0.00 0.86 0.06 0.00 0.43 0.00 0.00 52.55 53.90 2tsa s ASP 93 Cb 0.02 0.85 -0.04 0.00 -0.30 0.00 0.00 42.92 43.45 2tsa s ASP 93 CO -0.07 -0.22 -0.14 -0.44 -0.17 0.00 0.00 175.17 174.13 2tsa s SER 94 N -0.05 2.02 -0.02 -0.34 0.01 -1.26 -0.01 113.70 114.05 2tsa s SER 94 Ca 0.01 -0.85 -0.02 0.00 1.31 0.00 0.00 55.95 56.41 2tsa s SER 94 Cb -0.04 -0.07 0.01 0.00 0.21 0.00 0.00 66.02 66.13 2tsa s SER 94 CO -0.03 -0.16 0.06 0.54 0.41 0.00 0.00 173.24 174.05 2tsa s VAL 95 N -2.32 -0.00 -0.01 3.43 0.11 -0.68 -4.95 120.40 115.97 2tsa s VAL 95 Ca 0.11 0.01 0.05 0.00 -2.93 0.00 0.00 61.98 59.22 2tsa s VAL 95 Cb -0.04 -0.09 -0.03 0.00 -1.53 0.00 0.00 36.38 34.69 2tsa s VAL 95 CO 0.03 0.00 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.77 2tsa s THR 96 N 0.09 3.02 0.16 5.04 2.01 -1.26 -0.92 115.64 123.78 2tsa s THR 96 Ca -0.01 -0.89 -0.00 0.00 0.31 0.00 0.00 61.69 61.10 2tsa s THR 96 Cb -0.01 -2.23 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 2tsa s THR 96 CO -0.00 0.48 0.07 0.72 -0.69 0.00 0.00 174.62 175.19 2tsa s PHE 97 N -0.83 1.02 -0.21 4.92 -0.12 -0.40 -4.96 117.98 117.41 2tsa s PHE 97 Ca 0.13 -1.23 -0.28 0.00 -0.05 0.00 0.00 56.93 55.50 2tsa s PHE 97 Cb -0.11 -0.56 0.00 0.00 -0.63 0.00 0.00 43.02 41.73 2tsa s PHE 97 CO 0.03 -0.49 0.98 -0.51 -0.05 0.00 0.00 175.22 175.18 2tsa s ASP 98 N -3.11 7.06 0.15 1.98 1.11 -1.26 -1.74 116.67 120.86 2tsa s ASP 98 Ca 0.28 1.32 0.17 0.00 0.18 0.00 0.00 52.55 54.51 2tsa s ASP 98 Cb 0.07 -2.52 0.77 0.00 1.07 0.00 0.00 42.92 42.32 2tsa s ASP 98 CO 0.05 -0.58 1.54 0.52 1.18 0.00 0.00 175.17 177.87 2tsa n VAL 99 N 5.14 1.06 1.81 -1.27 0.31 -0.49 -1.07 118.33 123.81 2tsa n VAL 99 Ca 0.10 0.34 0.11 0.00 -0.01 0.00 0.00 64.34 64.88 2tsa n VAL 99 Cb 0.47 -1.23 0.57 0.00 -0.91 0.00 0.00 33.84 32.73 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 -1.91 0.44 0.10 4.52 3.41 -1.26 -2.48 113.62 116.44 2tsa n SER 100 Ca 0.02 -1.43 0.07 0.00 -0.26 0.00 0.00 58.87 57.27 2tsa n SER 100 Cb 0.15 -0.02 -0.00 0.00 -0.26 0.00 0.00 64.21 64.08 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 0.60 0.00 -6.86 4.33 1.57 -1.49 -3.46 116.57 111.25 2tsa h LYS 101 Ca 0.00 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.29 2tsa h LYS 101 Cb 0.13 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.47 2tsa h LYS 101 CO 0.00 0.14 0.06 -0.51 -0.57 0.00 0.00 179.45 178.57 2tsa s LEU 102 N -5.69 3.69 0.02 2.94 1.43 -1.04 -5.09 118.68 114.95 2tsa s LEU 102 Ca 0.00 0.85 0.02 0.00 -1.03 0.00 0.00 54.13 53.97 2tsa s LEU 102 Cb 0.09 -3.79 -0.02 0.00 0.03 0.00 0.00 46.19 42.50 2tsa s LEU 102 CO 0.78 -0.53 -0.06 -1.59 0.23 0.00 0.00 176.35 175.18 2tsa s LYS 103 N -4.66 0.45 0.22 1.70 -2.85 -1.26 -5.04 119.74 108.30 2tsa s LYS 103 Ca 0.46 -0.51 -0.32 0.00 -1.00 0.00 0.00 55.97 54.60 2tsa s LYS 103 Cb -0.10 -0.29 -0.12 0.00 -2.06 0.00 0.00 37.83 35.26 2tsa s LYS 103 CO 0.43 0.06 1.67 -1.91 0.10 0.00 0.00 175.35 175.70 2tsa n GLU 104 N 2.06 2.67 -0.81 1.78 4.07 -1.26 -2.72 120.64 126.43 2tsa n GLU 104 Ca -0.19 0.96 0.00 0.00 -0.06 0.00 0.00 57.16 57.87 2tsa n GLU 104 Cb 0.56 -2.78 0.00 0.00 -0.06 0.00 0.00 31.44 29.16 2tsa n GLU 104 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2tsa n GLY 105 N 3.42 0.76 3.77 8.31 0.00 -1.26 -5.06 105.19 115.13 2tsa n GLY 105 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.19 2.77 -0.21 1.61 2.12 -1.10 -5.11 118.70 118.59 2tsa s GLU 106 Ca 0.00 -1.06 -0.06 0.00 0.36 0.00 0.00 54.97 54.21 2tsa s GLU 106 Cb 0.00 -2.51 -0.03 0.00 0.26 0.00 0.00 34.13 31.86 2tsa s GLU 106 CO 0.00 0.43 0.03 -1.14 -0.54 0.00 0.00 175.26 174.04 2tsa s GLN 107 N -3.51 3.70 0.21 4.30 0.74 -1.26 -4.80 119.66 119.03 2tsa s GLN 107 Ca 0.31 -0.48 0.10 0.00 0.05 0.00 0.00 55.36 55.35 2tsa s GLN 107 Cb -0.08 -3.17 -0.04 0.00 1.10 0.00 0.00 33.01 30.81 2tsa s GLN 107 CO 0.23 0.01 -0.15 0.71 -0.55 0.00 0.00 175.29 175.54 2tsa s TYR 108 N 1.04 2.48 0.10 1.67 2.02 -1.22 0.88 117.35 124.32 2tsa s TYR 108 Ca 0.03 -0.28 0.05 0.00 -0.37 0.00 0.00 57.07 56.50 2tsa s TYR 108 Cb -0.14 -1.18 -0.03 0.00 -0.40 0.00 0.00 41.96 40.20 2tsa s TYR 108 CO 0.02 0.55 -0.13 -1.64 -1.57 0.00 0.00 175.55 172.79 2tsa s MET 109 N -2.99 0.91 0.12 -0.62 -1.94 -0.17 -1.65 119.30 112.96 2tsa s MET 109 Ca 0.25 -1.11 0.10 0.00 -1.71 0.00 0.00 55.69 53.22 2tsa s MET 109 Cb -0.08 -0.80 -0.04 0.00 2.01 0.00 0.00 34.83 35.93 2tsa s MET 109 CO 0.14 0.16 -0.25 -0.59 -0.01 0.00 0.00 175.02 174.47 2tsa s PHE 110 N -1.87 2.13 0.20 -0.03 -0.12 0.14 -2.24 117.98 116.20 2tsa s PHE 110 Ca 0.04 -0.39 -0.23 0.00 -0.05 0.00 0.00 56.93 56.30 2tsa s PHE 110 Cb -0.06 -1.16 0.06 0.00 -0.63 0.00 0.00 43.02 41.22 2tsa s PHE 110 CO 0.02 0.29 0.91 -0.59 -0.05 0.00 0.00 175.22 175.80 2tsa s PHE 111 N -1.08 -0.10 -0.31 3.49 -0.71 -0.50 -1.17 117.98 117.59 2tsa s PHE 111 Ca 0.11 -0.28 -0.11 0.00 -1.04 0.00 0.00 56.93 55.61 2tsa s PHE 111 Cb -0.10 0.68 -0.03 0.00 -1.21 0.00 0.00 43.02 42.36 2tsa s PHE 111 CO 0.05 -0.98 0.19 0.00 -1.34 0.00 0.00 175.22 173.15 2tsa n THR 113 N 5.05 0.00 -2.07 0.00 -2.24 -1.26 -3.27 114.28 110.49 2tsa n THR 113 Ca -0.14 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.23 2tsa n THR 113 Cb 0.50 -0.38 -0.02 0.00 -2.10 0.00 0.00 70.33 68.33 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 -2.00 3.07 -0.35 4.78 2.19 -1.26 -4.22 117.98 120.19 2tsa s PHE 114 Ca 0.30 1.15 -0.31 0.00 0.33 0.00 0.00 56.93 58.40 2tsa s PHE 114 Cb 0.14 -3.75 -0.13 0.00 -1.31 0.00 0.00 43.02 37.97 2tsa s PHE 114 CO 0.23 -2.33 1.46 -2.30 1.83 0.00 0.00 175.22 174.10 2tsa n PRO 115 N 2.06 0.00 0.00 10.12 -0.02 -1.26 -1.66 135.00 144.24 2tsa n PRO 115 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2tsa n PRO 115 Cb 0.41 -1.04 0.00 0.00 -0.02 0.00 0.00 33.50 32.85 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 5.02 3.01 0.31 -1.23 0.00 -1.26 -4.84 105.19 106.19 2tsa n GLY 116 Ca 0.37 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.55 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 0.00 0.00 1.61 3.86 -1.56 -2.51 115.15 116.55 2tsa h HIS 117 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2tsa h HIS 117 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2tsa h HIS 117 CO 0.00 0.00 0.00 -1.13 0.86 0.00 0.00 177.93 177.66 2tsa n SER 118 N -3.80 0.00 0.02 2.45 3.41 -1.20 -0.18 113.62 114.31 2tsa n SER 118 Ca -0.02 0.27 -0.10 0.00 -0.26 0.00 0.00 58.87 58.76 2tsa n SER 118 Cb 0.13 -0.38 0.03 0.00 -0.26 0.00 0.00 64.21 63.73 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 2.54 0.62 0.00 7.33 0.00 -1.80 -3.37 119.26 124.58 2tsa h ALA 119 Ca 0.00 -0.56 -0.21 0.00 0.00 0.00 0.00 54.91 54.14 2tsa h ALA 119 Cb 0.17 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2tsa h ALA 119 CO 0.00 0.71 -1.79 1.28 0.00 0.00 0.00 179.25 179.45 2tsa n LEU 120 N -3.91 2.74 -4.32 0.00 4.77 -1.01 -4.88 117.00 110.39 2tsa n LEU 120 Ca -0.04 -0.04 -0.43 0.00 -0.03 0.00 0.00 56.01 55.47 2tsa n LEU 120 Cb 0.66 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2tsa n LEU 120 CO 0.48 0.68 1.88 0.00 -1.33 0.00 0.00 177.39 179.10 2tsa n ALA 121 N -3.00 4.19 -3.53 -1.18 0.00 0.74 -4.72 120.51 113.02 2tsa n ALA 121 Ca -0.25 -4.05 -0.10 0.00 0.00 0.00 0.00 53.44 49.03 2tsa n ALA 121 Cb 0.75 -3.32 -0.02 0.00 0.00 0.00 0.00 19.45 16.86 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 2.64 1.35 -0.13 0.00 -2.85 -1.26 -1.80 119.74 117.69 2tsa s LYS 122 Ca 0.47 -0.57 -0.33 0.00 -1.00 0.00 0.00 55.97 54.54 2tsa s LYS 122 Cb 0.04 0.57 0.13 0.00 -2.06 0.00 0.00 37.83 36.51 2tsa s LYS 122 CO 0.02 -0.60 1.21 0.20 0.10 0.00 0.00 175.35 176.28 2tsa s GLY 123 N -2.77 -0.33 0.37 0.59 0.00 -0.32 -4.69 107.32 100.17 2tsa s GLY 123 Ca 0.04 1.30 -0.12 0.00 0.00 0.00 0.00 44.72 45.93 2tsa s GLY 123 CO -0.08 0.40 0.75 -0.51 0.00 0.00 0.00 173.10 173.66 2tsa s THR 124 N -2.47 4.75 -0.04 0.90 -4.23 -0.62 0.26 115.64 114.19 2tsa s THR 124 Ca 0.11 0.74 -0.00 0.00 -1.18 0.00 0.00 61.69 61.35 2tsa s THR 124 Cb 0.01 -3.68 0.03 0.00 1.34 0.00 0.00 72.50 70.19 2tsa s THR 124 CO -0.04 -0.39 0.01 -0.22 -0.54 0.00 0.00 174.62 173.43 2tsa s LEU 125 N -3.51 0.91 0.03 4.79 0.20 -0.66 -0.26 118.68 120.18 2tsa s LEU 125 Ca 0.52 -0.03 0.05 0.00 0.69 0.00 0.00 54.13 55.36 2tsa s LEU 125 Cb -0.10 -0.27 -0.02 0.00 -0.43 0.00 0.00 46.19 45.37 2tsa s LEU 125 CO 0.26 -0.14 -0.14 0.42 -0.29 0.00 0.00 176.35 176.47 2tsa s THR 126 N 1.37 1.08 -0.21 3.68 -4.23 -0.03 -3.37 115.64 113.93 2tsa s THR 126 Ca -0.05 -0.91 -0.29 0.00 -1.18 0.00 0.00 61.69 59.26 2tsa s THR 126 Cb -0.13 -0.97 0.00 0.00 1.34 0.00 0.00 72.50 72.75 2tsa s THR 126 CO -0.02 0.05 1.08 -0.22 -0.54 0.00 0.00 174.62 174.97 2tsa s LEU 127 N -0.98 4.13 0.00 4.79 2.96 -1.26 0.25 118.68 128.56 2tsa s LEU 127 Ca 0.02 1.45 0.00 0.00 -0.22 0.00 0.00 54.13 55.38 2tsa s LEU 127 Cb -0.07 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.08 2tsa s LEU 127 CO 0.01 -0.67 0.25 1.17 -1.32 0.00 0.00 176.35 175.79