#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tsq s GLN 2 N 0.00 3.64 -0.18 0.54 0.74 -1.26 -5.09 119.66 118.05 1tsq s GLN 2 Ca 0.00 -0.52 0.01 0.00 0.05 0.00 0.00 55.36 54.90 1tsq s GLN 2 Cb 0.00 -2.98 0.02 0.00 1.10 0.00 0.00 33.01 31.15 1tsq s GLN 2 CO 0.00 0.14 -0.20 0.42 -0.55 0.00 0.00 175.29 175.10 1tsq s ILE 3 N 0.63 2.08 0.79 -2.34 1.01 -1.26 -5.12 121.20 117.00 1tsq s ILE 3 Ca -0.02 -0.94 -0.10 0.00 0.00 0.00 0.00 60.65 59.59 1tsq s ILE 3 Cb -0.14 -1.86 0.09 0.00 0.01 0.00 0.00 42.46 40.55 1tsq s ILE 3 CO 0.02 0.54 1.14 0.42 0.00 0.00 0.00 174.94 177.06 1tsq s THR 4 N 1.23 2.09 -0.25 2.92 -4.23 -1.26 -5.03 115.64 111.11 1tsq s THR 4 Ca 0.03 -0.11 0.11 0.00 -1.18 0.00 0.00 61.69 60.54 1tsq s THR 4 Cb -0.13 -2.99 0.47 0.00 1.34 0.00 0.00 72.50 71.19 1tsq s THR 4 CO -0.11 0.00 1.36 0.18 -0.54 0.00 0.00 174.62 175.51 1tsq n LEU 5 N -3.24 3.54 0.25 4.79 4.77 -1.26 -4.60 117.00 121.26 1tsq n LEU 5 Ca 0.09 -3.73 0.15 0.00 -0.03 0.00 0.00 56.01 52.48 1tsq n LEU 5 Cb 0.61 -0.58 0.52 0.00 -2.33 0.00 0.00 43.42 41.64 1tsq n LEU 5 CO 0.53 1.24 0.91 -0.50 -1.33 0.00 0.00 177.39 178.25 1tsq h TRP 6 N 0.99 0.00 -3.42 -1.77 4.06 -2.06 -3.44 115.95 110.30 1tsq h TRP 6 Ca 0.12 0.00 -0.37 0.00 2.06 0.00 0.00 58.89 60.71 1tsq h TRP 6 Cb 1.39 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.41 1tsq h TRP 6 CO 0.85 0.05 -0.65 0.15 -3.56 0.00 0.00 178.44 175.29 1tsq s LYS 7 N -3.56 1.33 0.28 0.49 1.02 -1.26 -5.11 119.74 112.93 1tsq s LYS 7 Ca 0.02 -1.68 -0.30 0.00 0.02 0.00 0.00 55.97 54.03 1tsq s LYS 7 Cb 0.08 -0.52 -0.11 0.00 -0.52 0.00 0.00 37.83 36.76 1tsq s LYS 7 CO 0.59 -0.14 1.61 1.03 -0.92 0.00 0.00 175.35 177.52 1tsq s ARG 8 N -3.90 4.13 -1.30 1.68 0.52 -1.26 -4.86 118.95 113.96 1tsq s ARG 8 Ca 0.30 2.57 -0.16 0.00 -0.52 0.00 0.00 55.73 57.92 1tsq s ARG 8 Cb 0.06 -3.03 -0.00 0.00 0.52 0.00 0.00 34.95 32.50 1tsq s ARG 8 CO 0.09 -0.65 2.11 -0.35 0.02 0.00 0.00 175.30 176.53 1tsq n PRO 9 N 2.45 2.57 -3.46 3.54 -0.04 -1.26 -4.94 135.00 133.86 1tsq n PRO 9 Ca 0.09 -2.51 -0.38 0.00 -0.04 0.00 0.00 63.50 60.66 1tsq n PRO 9 Cb 0.37 -3.25 -0.06 0.00 -0.04 0.00 0.00 33.50 30.52 1tsq n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1tsq s LEU 10 N 2.43 4.44 0.16 1.53 1.43 -1.26 -1.33 118.68 126.07 1tsq s LEU 10 Ca 0.50 0.95 -0.00 0.00 -1.03 0.00 0.00 54.13 54.55 1tsq s LEU 10 Cb 0.13 -2.62 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 1tsq s LEU 10 CO -0.02 0.27 0.05 0.68 0.23 0.00 0.00 176.35 177.56 1tsq s VAL 11 N -0.79 0.26 0.14 -1.59 -7.23 -0.09 -4.95 120.40 106.15 1tsq s VAL 11 Ca 0.24 -1.94 -0.14 0.00 -1.81 0.00 0.00 61.98 58.33 1tsq s VAL 11 Cb -0.17 -2.16 -0.07 0.00 0.56 0.00 0.00 36.38 34.54 1tsq s VAL 11 CO 0.13 -0.38 0.54 -0.89 -0.31 0.00 0.00 175.10 174.19 1tsq s THR 12 N -3.95 4.87 0.14 5.32 2.01 -1.26 -0.89 115.64 121.88 1tsq s THR 12 Ca 0.27 0.81 0.03 0.00 0.31 0.00 0.00 61.69 63.11 1tsq s THR 12 Cb 0.07 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1tsq s THR 12 CO 0.04 0.25 -0.07 0.27 -0.69 0.00 0.00 174.62 174.43 1tsq s ILE 13 N -1.45 0.94 -0.14 1.82 -4.36 0.91 -1.92 121.20 116.99 1tsq s ILE 13 Ca 0.37 -2.01 0.02 0.00 -0.26 0.00 0.00 60.65 58.77 1tsq s ILE 13 Cb -0.15 -1.88 0.01 0.00 1.25 0.00 0.00 42.46 41.69 1tsq s ILE 13 CO 0.19 -0.71 -0.20 -0.13 0.24 0.00 0.00 174.94 174.32 1tsq s ARG 14 N -3.81 3.08 -0.12 0.37 0.52 -0.14 -1.49 118.95 117.37 1tsq s ARG 14 Ca 0.17 -0.83 -0.08 0.00 -0.52 0.00 0.00 55.73 54.48 1tsq s ARG 14 Cb 0.04 -2.48 0.04 0.00 0.52 0.00 0.00 34.95 33.08 1tsq s ARG 14 CO 0.00 0.01 0.30 -1.50 0.02 0.00 0.00 175.30 174.13 1tsq s ILE 15 N 0.77 -0.02 -1.73 1.52 2.07 0.27 -1.27 121.20 122.81 1tsq s ILE 15 Ca -0.08 0.08 0.00 0.00 -1.41 0.00 0.00 60.65 59.25 1tsq s ILE 15 Cb -0.16 -0.44 0.00 0.00 0.13 0.00 0.00 42.46 41.99 1tsq s ILE 15 CO -0.00 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.67 1tsq n GLY 16 N 3.75 0.76 2.41 1.50 0.00 -1.26 -0.18 105.19 112.17 1tsq n GLY 16 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1tsq n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tsq n GLY 17 N -0.59 1.44 3.81 -0.02 0.00 -1.26 -5.03 105.19 103.55 1tsq n GLY 17 Ca -0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 1tsq n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1tsq s GLN 18 N -0.20 2.95 -0.09 1.61 0.74 0.75 -5.10 119.66 120.33 1tsq s GLN 18 Ca 0.00 -0.83 -0.08 0.00 0.05 0.00 0.00 55.36 54.50 1tsq s GLN 18 Cb 0.00 -2.69 -0.04 0.00 1.10 0.00 0.00 33.01 31.38 1tsq s GLN 18 CO 0.00 0.50 0.20 -0.51 -0.55 0.00 0.00 175.29 174.92 1tsq s LEU 19 N -3.05 4.40 0.10 3.68 1.43 -1.26 -0.56 118.68 123.42 1tsq s LEU 19 Ca 0.31 0.56 -0.10 0.00 -1.03 0.00 0.00 54.13 53.86 1tsq s LEU 19 Cb -0.10 -2.23 0.01 0.00 0.03 0.00 0.00 46.19 43.90 1tsq s LEU 19 CO 0.24 0.38 0.24 -0.54 0.23 0.00 0.00 176.35 176.90 1tsq s LYS 20 N -1.13 0.91 -0.15 1.70 1.02 -0.55 -4.97 119.74 116.55 1tsq s LYS 20 Ca 0.18 -0.90 -0.06 0.00 0.02 0.00 0.00 55.97 55.20 1tsq s LYS 20 Cb -0.13 0.37 -0.04 0.00 -0.52 0.00 0.00 37.83 37.52 1tsq s LYS 20 CO 0.07 -0.31 0.06 -2.00 -0.92 0.00 0.00 175.35 172.26 1tsq s GLU 21 N -3.85 3.71 0.09 1.68 2.12 -1.26 -0.06 118.70 121.12 1tsq s GLU 21 Ca 0.05 -0.32 0.01 0.00 0.36 0.00 0.00 54.97 55.07 1tsq s GLU 21 Cb 0.04 -3.13 -0.04 0.00 0.26 0.00 0.00 34.13 31.26 1tsq s GLU 21 CO -0.11 0.44 -0.06 0.00 -0.54 0.00 0.00 175.26 174.99 1tsq s ALA 22 N -0.10 0.90 -0.22 6.30 0.00 -0.07 -4.58 121.76 124.00 1tsq s ALA 22 Ca 0.07 -1.31 -0.09 0.00 0.00 0.00 0.00 51.96 50.64 1tsq s ALA 22 Cb -0.12 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1tsq s ALA 22 CO 0.01 -0.24 0.11 -1.17 0.00 0.00 0.00 175.76 174.47 1tsq s LEU 23 N -2.96 3.91 -0.49 0.00 2.96 0.90 -0.92 118.68 122.09 1tsq s LEU 23 Ca 0.10 0.06 -0.28 0.00 -0.22 0.00 0.00 54.13 53.79 1tsq s LEU 23 Cb 0.05 -2.03 0.00 0.00 0.50 0.00 0.00 46.19 44.72 1tsq s LEU 23 CO -0.05 0.09 1.54 -0.76 -1.32 0.00 0.00 176.35 175.85 1tsq s LEU 24 N 0.87 3.46 -0.37 -0.68 1.43 -0.44 -0.65 118.68 122.29 1tsq s LEU 24 Ca 0.06 0.62 -0.01 0.00 -1.03 0.00 0.00 54.13 53.77 1tsq s LEU 24 Cb -0.13 -3.20 0.10 0.00 0.03 0.00 0.00 46.19 42.98 1tsq s LEU 24 CO 0.03 -1.72 0.12 0.21 0.23 0.00 0.00 176.35 175.21 1tsq s ASN 25 N 5.08 5.04 0.00 2.29 3.84 -0.48 -4.80 114.94 125.91 1tsq s ASN 25 Ca 0.62 -1.92 0.21 0.00 0.21 0.00 0.00 52.86 51.98 1tsq s ASN 25 Cb -0.14 -1.75 0.91 0.00 -0.55 0.00 0.00 41.25 39.73 1tsq s ASN 25 CO 0.28 -0.44 1.68 0.35 -2.79 0.00 0.00 177.10 176.18 1tsq n THR 26 N 4.50 0.53 0.41 -5.21 -2.24 -1.26 -2.61 114.28 108.39 1tsq n THR 26 Ca -0.03 0.13 0.09 0.00 -2.27 0.00 0.00 64.05 61.98 1tsq n THR 26 Cb 0.42 -0.77 0.24 0.00 -2.10 0.00 0.00 70.33 68.12 1tsq n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1tsq n GLY 27 N 0.67 1.38 3.24 3.38 0.00 -1.26 -4.84 105.19 107.75 1tsq n GLY 27 Ca 0.05 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 1tsq n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tsq s ALA 28 N -1.36 2.35 0.24 4.61 0.00 -1.07 -5.00 121.76 121.52 1tsq s ALA 28 Ca 0.35 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 51.33 1tsq s ALA 28 Cb 0.19 -1.03 0.27 0.00 0.00 0.00 0.00 23.12 22.55 1tsq s ALA 28 CO 0.25 0.11 1.59 -0.44 0.00 0.00 0.00 175.76 177.27 1tsq h ASP 29 N 7.03 0.38 -1.45 0.00 3.32 -1.88 -0.50 116.42 123.32 1tsq h ASP 29 Ca -0.27 -0.19 -0.63 0.00 0.02 0.00 0.00 57.03 55.96 1tsq h ASP 29 Cb 1.21 -0.11 -0.13 0.00 0.22 0.00 0.00 39.33 40.52 1tsq h ASP 29 CO 0.53 0.83 -0.56 -1.81 -1.72 0.00 0.00 179.24 176.51 1tsq s ASP 30 N -6.89 3.70 -0.18 6.45 1.01 -1.26 -2.47 116.67 117.03 1tsq s ASP 30 Ca -0.05 -1.52 -0.07 0.00 0.71 0.00 0.00 52.55 51.61 1tsq s ASP 30 Cb 0.12 0.12 -0.04 0.00 1.01 0.00 0.00 42.92 44.13 1tsq s ASP 30 CO 0.80 -0.69 0.06 -0.89 0.21 0.00 0.00 175.17 174.67 1tsq s THR 31 N -2.90 4.76 -0.05 -1.27 2.01 -1.26 -3.00 115.64 113.93 1tsq s THR 31 Ca 0.22 -0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.18 1tsq s THR 31 Cb 0.06 -3.15 0.02 0.00 0.01 0.00 0.00 72.50 69.44 1tsq s THR 31 CO 0.11 0.46 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.76 1tsq s VAL 32 N 0.40 0.58 0.19 3.82 1.01 -0.48 -0.70 120.40 125.21 1tsq s VAL 32 Ca 0.03 -0.13 0.10 0.00 0.00 0.00 0.00 61.98 61.98 1tsq s VAL 32 Cb -0.12 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 1tsq s VAL 32 CO 0.00 0.24 -0.12 -0.76 0.00 0.00 0.00 175.10 174.47 1tsq s LEU 33 N 1.05 2.87 0.97 3.92 1.43 0.11 -0.17 118.68 128.87 1tsq s LEU 33 Ca -0.09 -0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 52.25 1tsq s LEU 33 Cb -0.14 -1.55 0.17 0.00 0.03 0.00 0.00 46.19 44.70 1tsq s LEU 33 CO -0.01 0.10 1.11 -1.61 0.23 0.00 0.00 176.35 176.17 1tsq s GLU 34 N -2.89 0.62 0.12 1.70 2.02 -1.26 -1.19 118.70 117.82 1tsq s GLU 34 Ca 0.25 1.34 -0.35 0.00 0.02 0.00 0.00 54.97 56.23 1tsq s GLU 34 Cb -0.08 -1.70 -0.17 0.00 0.10 0.00 0.00 34.13 32.28 1tsq s GLU 34 CO 0.15 -2.83 1.19 -1.91 0.02 0.00 0.00 175.26 171.87 1tsq n GLU 35 N -4.35 0.95 -3.70 1.61 4.07 -1.23 -4.53 120.64 113.46 1tsq n GLU 35 Ca 0.09 0.34 -0.01 0.00 -0.06 0.00 0.00 57.16 57.52 1tsq n GLU 35 Cb 0.53 -1.87 -0.01 0.00 -0.06 0.00 0.00 31.44 30.02 1tsq n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1tsq s MET 36 N -0.02 0.88 -0.08 5.31 0.23 -1.26 -5.03 119.30 119.33 1tsq s MET 36 Ca 0.80 -0.49 -0.10 0.00 -1.03 0.00 0.00 55.69 54.87 1tsq s MET 36 Cb -0.95 0.30 -0.05 0.00 -1.53 0.00 0.00 34.83 32.60 1tsq s MET 36 CO 0.51 -0.40 0.24 -0.80 -2.03 0.00 0.00 175.02 172.53 1tsq s ASN 37 N -2.96 6.54 0.00 -1.18 0.02 -1.26 -5.06 114.94 111.04 1tsq s ASN 37 Ca 0.13 0.64 0.00 0.00 -1.02 0.00 0.00 52.86 52.62 1tsq s ASN 37 Cb 0.01 -2.14 -0.00 0.00 0.02 0.00 0.00 41.25 39.14 1tsq s ASN 37 CO -0.00 0.37 -0.02 -0.76 0.02 0.00 0.00 177.10 176.71 1tsq s LEU 38 N -0.98 2.01 0.62 0.60 1.43 -1.26 -4.99 118.68 116.10 1tsq s LEU 38 Ca 0.18 -0.05 -0.18 0.00 -1.03 0.00 0.00 54.13 53.05 1tsq s LEU 38 Cb -0.14 -0.08 -0.02 0.00 0.03 0.00 0.00 46.19 45.98 1tsq s LEU 38 CO 0.07 0.01 1.17 -2.84 0.23 0.00 0.00 176.35 174.99 1tsq s PRO 39 N -0.10 2.88 0.00 1.29 0.02 -1.26 -4.90 135.00 132.93 1tsq s PRO 39 Ca -0.00 1.70 0.00 0.00 0.02 0.00 0.00 61.00 62.72 1tsq s PRO 39 Cb -0.01 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.58 1tsq s PRO 39 CO -0.00 -1.24 0.00 0.41 -0.33 0.00 0.00 177.00 175.84 1tsq n GLY 40 N 0.24 0.07 3.85 0.52 0.00 -1.26 -4.99 105.19 103.62 1tsq n GLY 40 Ca 0.13 -1.99 -0.32 0.00 0.00 0.00 0.00 46.02 43.83 1tsq n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1tsq s LYS 41 N -1.02 3.96 0.13 1.61 3.01 -1.26 -5.09 119.74 121.08 1tsq s LYS 41 Ca 0.00 0.70 0.02 0.00 -1.01 0.00 0.00 55.97 55.68 1tsq s LYS 41 Cb 0.00 -2.36 -0.04 0.00 -1.01 0.00 0.00 37.83 34.42 1tsq s LYS 41 CO 0.00 0.03 -0.05 1.67 0.51 0.00 0.00 175.35 177.51 1tsq s TRP 42 N -2.18 1.05 -0.04 3.18 1.48 -1.26 -4.57 118.94 116.60 1tsq s TRP 42 Ca 0.55 -0.92 0.05 0.00 -1.06 0.00 0.00 56.10 54.72 1tsq s TRP 42 Cb -0.10 -0.59 -0.01 0.00 -1.16 0.00 0.00 33.47 31.61 1tsq s TRP 42 CO 0.22 -0.13 -0.18 0.15 -4.06 0.00 0.00 176.95 172.95 1tsq s LYS 43 N -3.84 1.85 0.28 3.25 -0.14 -0.78 -4.87 119.74 115.49 1tsq s LYS 43 Ca 0.16 -0.65 -0.30 0.00 -1.36 0.00 0.00 55.97 53.82 1tsq s LYS 43 Cb 0.05 -1.62 -0.11 0.00 -1.68 0.00 0.00 37.83 34.47 1tsq s LYS 43 CO -0.01 0.28 1.61 -2.14 -0.76 0.00 0.00 175.35 174.32 1tsq s PRO 44 N -0.03 4.12 0.29 -1.68 0.02 -1.26 -0.98 135.00 135.48 1tsq s PRO 44 Ca -0.03 2.58 -0.01 0.00 0.02 0.00 0.00 61.00 63.56 1tsq s PRO 44 Cb -0.11 -3.03 -0.02 0.00 0.02 0.00 0.00 34.50 31.36 1tsq s PRO 44 CO 0.02 -0.64 0.33 0.15 -0.33 0.00 0.00 177.00 176.52 1tsq s LYS 45 N -0.33 1.62 0.01 5.54 1.02 0.01 -4.88 119.74 122.73 1tsq s LYS 45 Ca 0.64 -1.72 -0.00 0.00 0.02 0.00 0.00 55.97 54.91 1tsq s LYS 45 Cb -0.48 0.37 -0.01 0.00 -0.52 0.00 0.00 37.83 37.19 1tsq s LYS 45 CO 0.46 -0.62 -0.02 -1.64 -0.92 0.00 0.00 175.35 172.61 1tsq s MET 46 N -3.60 0.20 -0.01 1.68 -1.94 -1.26 -0.62 119.30 113.74 1tsq s MET 46 Ca 0.35 -0.39 -0.07 0.00 -1.71 0.00 0.00 55.69 53.87 1tsq s MET 46 Cb 0.02 0.07 0.01 0.00 2.01 0.00 0.00 34.83 36.94 1tsq s MET 46 CO 0.18 -0.03 0.15 0.96 -0.01 0.00 0.00 175.02 176.27 1tsq s ILE 47 N -0.93 0.06 0.27 2.53 -4.36 -0.88 -4.96 121.20 112.94 1tsq s ILE 47 Ca -0.10 -0.52 0.12 0.00 -0.26 0.00 0.00 60.65 59.88 1tsq s ILE 47 Cb -0.06 -0.40 -0.05 0.00 1.25 0.00 0.00 42.46 43.20 1tsq s ILE 47 CO -0.01 -0.29 -0.17 -0.83 0.24 0.00 0.00 174.94 173.88 1tsq s GLY 48 N -1.04 1.84 0.00 6.27 0.00 -1.26 -1.11 107.32 112.02 1tsq s GLY 48 Ca -0.11 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 42.79 1tsq s GLY 48 CO 0.01 -1.90 0.00 0.61 0.00 0.00 0.00 173.10 171.82 1tsq n GLY 49 N -0.58 4.95 0.32 0.20 0.00 0.53 -4.95 105.19 105.66 1tsq n GLY 49 Ca -0.06 -1.03 -0.05 0.00 0.00 0.00 0.00 46.02 44.88 1tsq n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1tsq h ILE 50 N 0.00 1.24 -0.01 -0.61 2.04 -2.01 -2.89 117.51 115.27 1tsq h ILE 50 Ca 0.00 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.21 1tsq h ILE 50 Cb 0.00 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.34 1tsq h ILE 50 CO 0.00 0.28 -0.09 0.61 0.00 0.00 0.00 178.15 178.95 1tsq n GLY 51 N -1.02 -0.77 0.00 5.37 0.00 -1.26 -5.04 105.19 102.47 1tsq n GLY 51 Ca 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1tsq n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tsq n GLY 52 N 1.23 0.53 3.93 -0.02 0.00 -1.09 -5.08 105.19 104.69 1tsq n GLY 52 Ca 0.16 -2.18 -0.23 0.00 0.00 0.00 0.00 46.02 43.77 1tsq n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tsq s PHE 53 N -0.39 3.40 0.15 1.61 0.40 -1.26 -0.35 117.98 121.55 1tsq s PHE 53 Ca 0.00 0.02 0.02 0.00 -0.60 0.00 0.00 56.93 56.37 1tsq s PHE 53 Cb 0.00 -1.58 -0.04 0.00 0.51 0.00 0.00 43.02 41.91 1tsq s PHE 53 CO 0.00 0.48 -0.03 0.96 0.70 0.00 0.00 175.22 177.33 1tsq s ILE 54 N -1.90 0.76 -0.13 0.64 -4.36 -0.27 -4.97 121.20 110.98 1tsq s ILE 54 Ca 0.34 -1.98 -0.10 0.00 -0.26 0.00 0.00 60.65 58.65 1tsq s ILE 54 Cb -0.10 -1.97 -0.05 0.00 1.25 0.00 0.00 42.46 41.60 1tsq s ILE 54 CO 0.28 -0.62 0.20 -0.54 0.24 0.00 0.00 174.94 174.51 1tsq s LYS 55 N -3.87 3.81 0.24 0.37 1.02 -1.26 -2.07 119.74 117.98 1tsq s LYS 55 Ca 0.20 -0.03 0.01 0.00 0.02 0.00 0.00 55.97 56.17 1tsq s LYS 55 Cb 0.05 -3.28 -0.05 0.00 -0.52 0.00 0.00 37.83 34.03 1tsq s LYS 55 CO 0.01 0.57 0.10 0.14 -0.92 0.00 0.00 175.35 175.25 1tsq s VAL 56 N -0.49 0.45 -0.17 3.17 -7.23 0.20 -4.42 120.40 111.90 1tsq s VAL 56 Ca 0.15 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.26 1tsq s VAL 56 Cb -0.13 -2.57 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 1tsq s VAL 56 CO 0.04 -0.04 0.03 -0.13 -0.31 0.00 0.00 175.10 174.69 1tsq s ARG 57 N -4.05 3.86 -0.32 4.82 0.52 0.09 -0.81 118.95 123.06 1tsq s ARG 57 Ca 0.37 -0.41 -0.10 0.00 -0.52 0.00 0.00 55.73 55.07 1tsq s ARG 57 Cb 0.08 -3.11 -0.00 0.00 0.52 0.00 0.00 34.95 32.44 1tsq s ARG 57 CO 0.13 0.25 0.16 -1.14 0.02 0.00 0.00 175.30 174.72 1tsq s GLN 58 N 0.40 3.24 -0.16 3.54 0.74 -0.15 -1.10 119.66 126.17 1tsq s GLN 58 Ca 0.00 -0.79 -0.06 0.00 0.05 0.00 0.00 55.36 54.57 1tsq s GLN 58 Cb -0.13 -3.59 -0.04 0.00 1.10 0.00 0.00 33.01 30.35 1tsq s GLN 58 CO 0.01 -0.47 0.03 0.71 -0.55 0.00 0.00 175.29 175.02 1tsq s TYR 59 N 1.60 3.19 0.24 1.67 1.51 -0.52 -1.87 117.35 123.18 1tsq s TYR 59 Ca 0.04 0.01 0.06 0.00 -1.01 0.00 0.00 57.07 56.17 1tsq s TYR 59 Cb -0.17 -2.00 -0.03 0.00 -0.11 0.00 0.00 41.96 39.64 1tsq s TYR 59 CO 0.06 0.17 0.28 -0.51 -1.11 0.00 0.00 175.55 174.44 1tsq s ASP 60 N 0.12 5.93 -1.38 2.29 1.01 -1.26 -0.58 116.67 122.81 1tsq s ASP 60 Ca 0.03 -0.08 -0.08 0.00 0.71 0.00 0.00 52.55 53.13 1tsq s ASP 60 Cb -0.13 -1.64 0.00 0.00 1.01 0.00 0.00 42.92 42.17 1tsq s ASP 60 CO 0.01 -0.05 0.40 1.67 0.21 0.00 0.00 175.17 177.42 1tsq n GLN 61 N -1.24 -1.98 -3.73 8.23 7.27 -1.17 -4.87 117.38 119.88 1tsq n GLN 61 Ca -0.08 0.29 -0.36 0.00 0.07 0.00 0.00 57.00 56.91 1tsq n GLN 61 Cb 0.57 -3.96 -0.10 0.00 2.41 0.00 0.00 30.24 29.16 1tsq n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1tsq s ILE 62 N -3.94 5.13 0.17 1.69 -1.09 0.23 -4.70 121.20 118.69 1tsq s ILE 62 Ca 0.14 0.10 -0.30 0.00 -2.23 0.00 0.00 60.65 58.35 1tsq s ILE 62 Cb -0.06 -3.38 -0.08 0.00 -1.58 0.00 0.00 42.46 37.36 1tsq s ILE 62 CO 0.92 0.36 1.22 -2.84 -1.23 0.00 0.00 174.94 173.37 1tsq s PRO 63 N 1.03 4.47 -0.04 2.79 0.02 -1.26 -1.67 135.00 140.34 1tsq s PRO 63 Ca 0.06 1.89 -0.02 0.00 0.02 0.00 0.00 61.00 62.96 1tsq s PRO 63 Cb -0.14 -3.24 0.03 0.00 0.02 0.00 0.00 34.50 31.17 1tsq s PRO 63 CO 0.04 -0.13 0.07 0.08 -0.33 0.00 0.00 177.00 176.73 1tsq s VAL 64 N 0.08 -0.12 -0.30 3.83 1.01 0.33 -4.46 120.40 120.77 1tsq s VAL 64 Ca 0.54 0.39 -0.18 0.00 0.00 0.00 0.00 61.98 62.73 1tsq s VAL 64 Cb -0.33 -0.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 1tsq s VAL 64 CO 0.36 0.16 0.52 -0.70 0.00 0.00 0.00 175.10 175.44 1tsq s GLU 65 N 2.01 3.86 -0.36 2.72 2.12 -0.40 -1.51 118.70 127.14 1tsq s GLU 65 Ca 0.02 0.10 -0.06 0.00 0.36 0.00 0.00 54.97 55.40 1tsq s GLU 65 Cb -0.12 -3.73 0.06 0.00 0.26 0.00 0.00 34.13 30.60 1tsq s GLU 65 CO -0.03 -0.50 0.14 0.42 -0.54 0.00 0.00 175.26 174.75 1tsq s ILE 66 N 2.37 3.71 -1.62 -3.70 1.01 0.19 -0.96 121.20 122.20 1tsq s ILE 66 Ca 0.20 -1.36 -0.16 0.00 0.00 0.00 0.00 60.65 59.33 1tsq s ILE 66 Cb -0.15 -3.21 0.12 0.00 0.01 0.00 0.00 42.46 39.23 1tsq s ILE 66 CO 0.11 -0.32 0.89 0.00 0.00 0.00 0.00 174.94 175.63 1tsq n GLY 68 N -1.54 2.95 3.89 0.00 0.00 -1.26 -5.01 105.19 104.22 1tsq n GLY 68 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1tsq n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1tsq s HIS 69 N -2.57 3.59 -0.05 1.61 4.02 0.01 -5.08 115.29 116.81 1tsq s HIS 69 Ca 0.00 0.52 -0.15 0.00 1.02 0.00 0.00 55.06 56.44 1tsq s HIS 69 Cb 0.00 -1.94 -0.05 0.00 -1.02 0.00 0.00 32.58 29.57 1tsq s HIS 69 CO 0.00 0.67 0.40 -1.59 1.02 0.00 0.00 174.74 175.24 1tsq s LYS 70 N -1.50 4.03 0.05 1.40 0.00 -1.26 0.55 119.74 123.02 1tsq s LYS 70 Ca 0.23 0.37 -0.01 0.00 0.00 0.00 0.00 55.97 56.56 1tsq s LYS 70 Cb -0.13 -3.29 -0.04 0.00 0.00 0.00 0.00 37.83 34.38 1tsq s LYS 70 CO 0.12 0.53 -0.03 0.00 0.00 0.00 0.00 175.35 175.97 1tsq s ALA 71 N -0.54 0.51 -0.24 0.59 0.00 -0.57 -4.64 121.76 116.87 1tsq s ALA 71 Ca 0.23 -1.14 -0.02 0.00 0.00 0.00 0.00 51.96 51.03 1tsq s ALA 71 Cb -0.16 0.24 0.13 0.00 0.00 0.00 0.00 23.12 23.33 1tsq s ALA 71 CO 0.11 -0.32 0.33 0.42 0.00 0.00 0.00 175.76 176.30 1tsq s ILE 72 N -3.53 -0.51 0.00 0.00 1.01 -1.26 -0.51 121.20 116.39 1tsq s ILE 72 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.54 1tsq s ILE 72 Cb 0.05 -0.82 0.00 0.00 0.01 0.00 0.00 42.46 41.70 1tsq s ILE 72 CO -0.08 -0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.27 1tsq n GLY 73 N 5.35 2.20 3.74 6.18 0.00 -0.67 -4.72 105.19 117.26 1tsq n GLY 73 Ca -0.03 -0.77 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 1tsq n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tsq s THR 74 N -2.72 3.30 -0.09 2.61 2.01 -1.26 -0.60 115.64 118.88 1tsq s THR 74 Ca 0.00 1.07 -0.00 0.00 0.31 0.00 0.00 61.69 63.07 1tsq s THR 74 Cb 0.00 -3.68 0.02 0.00 0.01 0.00 0.00 72.50 68.85 1tsq s THR 74 CO 0.00 0.16 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.33 1tsq s VAL 75 N 0.12 0.88 -0.10 3.82 1.01 0.26 -4.52 120.40 121.86 1tsq s VAL 75 Ca 0.56 -0.23 -0.08 0.00 0.00 0.00 0.00 61.98 62.23 1tsq s VAL 75 Cb -0.36 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.08 1tsq s VAL 75 CO 0.38 0.33 0.18 -0.76 0.00 0.00 0.00 175.10 175.23 1tsq s LEU 76 N 1.51 4.40 -0.11 3.92 1.43 0.12 -1.44 118.68 128.51 1tsq s LEU 76 Ca 0.00 0.54 0.02 0.00 -1.03 0.00 0.00 54.13 53.67 1tsq s LEU 76 Cb -0.13 -2.17 0.01 0.00 0.03 0.00 0.00 46.19 43.93 1tsq s LEU 76 CO -0.05 0.39 -0.16 -0.69 0.23 0.00 0.00 176.35 176.07 1tsq s VAL 77 N -1.05 1.57 -0.00 -1.59 1.01 -0.26 0.05 120.40 120.13 1tsq s VAL 77 Ca 0.17 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.45 1tsq s VAL 77 Cb -0.13 -1.42 0.00 0.00 0.00 0.00 0.00 36.38 34.83 1tsq s VAL 77 CO 0.06 0.46 0.03 0.61 0.00 0.00 0.00 175.10 176.25 1tsq n GLY 78 N 4.09 0.62 2.64 4.51 0.00 -0.33 -0.73 105.19 115.99 1tsq n GLY 78 Ca -0.19 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 1tsq n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1tsq n PRO 79 N -0.02 2.30 -3.13 1.61 -0.04 -1.26 -3.48 135.00 130.99 1tsq n PRO 79 Ca 0.00 -1.69 -0.33 0.00 -0.04 0.00 0.00 63.50 61.45 1tsq n PRO 79 Cb 0.01 -2.61 -0.06 0.00 -0.04 0.00 0.00 33.50 30.80 1tsq n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1tsq s THR 80 N 3.43 4.66 -0.17 0.52 -1.32 -1.26 -4.95 115.64 116.54 1tsq s THR 80 Ca 0.47 0.99 0.27 0.00 -1.21 0.00 0.00 61.69 62.21 1tsq s THR 80 Cb 0.12 -3.63 0.28 0.00 -1.51 0.00 0.00 72.50 67.76 1tsq s THR 80 CO -0.02 -0.15 1.81 1.55 -2.21 0.00 0.00 174.62 175.60 1tsq h PRO 81 N 2.35 0.00 -1.93 7.08 0.13 -1.97 -3.45 132.00 134.21 1tsq h PRO 81 Ca -0.48 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.77 1tsq h PRO 81 Cb 1.18 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.12 1tsq h PRO 81 CO 0.65 0.00 0.55 0.00 -0.23 0.00 0.00 178.00 178.98 1tsq s ALA 82 N -3.54 -1.89 -0.06 -0.56 0.00 -1.26 -5.11 121.76 109.34 1tsq s ALA 82 Ca 0.01 1.29 -0.30 0.00 0.00 0.00 0.00 51.96 52.96 1tsq s ALA 82 Cb 0.09 -0.05 -0.06 0.00 0.00 0.00 0.00 23.12 23.10 1tsq s ALA 82 CO 0.36 -0.54 1.83 -0.80 0.00 0.00 0.00 175.76 176.60 1tsq s ASN 83 N -1.96 6.42 -0.12 0.00 0.01 -1.26 -4.73 114.94 113.29 1tsq s ASN 83 Ca 0.03 2.29 0.02 0.00 -0.71 0.00 0.00 52.86 54.49 1tsq s ASN 83 Cb -0.01 -2.53 -0.01 0.00 0.41 0.00 0.00 41.25 39.11 1tsq s ASN 83 CO -0.05 -1.13 -0.18 -0.63 -1.51 0.00 0.00 177.10 173.61 1tsq s ILE 84 N 4.80 2.60 -0.39 0.60 -1.09 0.77 -0.07 121.20 128.41 1tsq s ILE 84 Ca 0.82 -0.83 -0.14 0.00 -2.23 0.00 0.00 60.65 58.28 1tsq s ILE 84 Cb -0.36 -2.05 0.02 0.00 -1.58 0.00 0.00 42.46 38.49 1tsq s ILE 84 CO 0.35 0.54 0.27 -0.63 -1.23 0.00 0.00 174.94 174.24 1tsq s ILE 85 N 0.35 5.08 0.74 2.92 -1.09 0.18 -1.39 121.20 127.99 1tsq s ILE 85 Ca -0.15 -0.67 -0.03 0.00 -2.23 0.00 0.00 60.65 57.58 1tsq s ILE 85 Cb -0.17 -3.81 0.15 0.00 -1.58 0.00 0.00 42.46 37.06 1tsq s ILE 85 CO 0.07 -0.26 1.02 0.61 -1.23 0.00 0.00 174.94 175.15 1tsq n GLY 86 N 5.11 0.22 0.27 6.18 0.00 -1.16 -1.38 105.19 114.43 1tsq n GLY 86 Ca -0.11 -1.96 0.09 0.00 0.00 0.00 0.00 46.02 44.03 1tsq n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1tsq h ARG 87 N 0.00 0.00 -0.55 1.61 3.08 -1.12 -0.35 114.38 117.05 1tsq h ARG 87 Ca -0.33 0.00 0.07 0.00 0.07 0.00 0.00 59.98 59.78 1tsq h ARG 87 Cb 1.16 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.18 1tsq h ARG 87 CO 0.33 0.00 0.37 -2.95 -1.07 0.00 0.00 179.97 176.65 1tsq h ASN 88 N 0.00 0.41 0.00 7.04 -0.00 -1.75 -1.54 115.58 119.75 1tsq h ASN 88 Ca -0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 56.30 56.03 1tsq h ASN 88 Cb 0.00 -0.09 -0.05 0.00 -0.00 0.00 0.00 38.32 38.18 1tsq h ASN 88 CO 0.00 0.27 -2.25 0.18 -0.00 0.00 0.00 177.43 175.62 1tsq n LEU 89 N -4.47 0.00 -0.10 6.14 4.77 -0.84 -4.20 117.00 118.29 1tsq n LEU 89 Ca 0.08 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.04 1tsq n LEU 89 Cb 0.27 0.37 0.22 0.00 -2.33 0.00 0.00 43.42 41.95 1tsq n LEU 89 CO 0.34 0.37 0.97 -0.07 -1.33 0.00 0.00 177.39 177.67 1tsq h LEU 90 N 0.00 0.70 -0.86 2.23 3.38 -0.81 -2.23 115.31 117.72 1tsq h LEU 90 Ca -0.40 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.35 1tsq h LEU 90 Cb 1.91 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 42.46 1tsq h LEU 90 CO 0.02 0.71 -0.16 0.71 0.09 0.00 0.00 178.44 179.80 1tsq h THR 91 N 0.73 1.26 -0.04 0.22 1.35 -1.48 -1.16 112.91 113.78 1tsq h THR 91 Ca 0.16 -1.20 -0.04 0.00 -0.55 0.00 0.00 66.41 64.78 1tsq h THR 91 Cb 0.30 1.16 -0.01 0.00 -1.73 0.00 0.00 68.15 67.87 1tsq h THR 91 CO 0.00 0.40 -0.18 1.56 -0.25 0.00 0.00 175.52 177.05 1tsq h GLN 92 N 0.60 0.06 -0.59 4.72 4.20 -1.57 -1.96 115.11 120.56 1tsq h GLN 92 Ca 0.10 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1tsq h GLN 92 Cb 0.62 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1tsq h GLN 92 CO 0.04 0.24 0.00 0.44 -0.67 0.00 0.00 178.83 178.88 1tsq n ILE 93 N -4.30 1.05 -3.00 2.54 -5.35 -1.10 -4.92 119.36 104.28 1tsq n ILE 93 Ca -0.02 -0.83 -0.15 0.00 -0.27 0.00 0.00 62.75 61.48 1tsq n ILE 93 Cb 0.26 0.23 0.04 0.00 -1.74 0.00 0.00 39.64 38.42 1tsq n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1tsq n GLY 94 N 1.20 -0.06 3.75 3.28 0.00 -0.74 -5.00 105.19 107.62 1tsq n GLY 94 Ca 0.19 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1tsq n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tsq s THR 96 N -0.03 0.43 -0.02 0.00 -4.23 -1.26 -4.67 115.64 105.85 1tsq s THR 96 Ca 0.37 -1.91 -0.08 0.00 -1.18 0.00 0.00 61.69 58.89 1tsq s THR 96 Cb -0.20 -1.87 -0.05 0.00 1.34 0.00 0.00 72.50 71.73 1tsq s THR 96 CO 0.21 -0.68 0.25 -0.76 -0.54 0.00 0.00 174.62 173.11 1tsq s LEU 97 N -3.05 4.39 -0.08 4.79 1.43 -1.26 -5.10 118.68 119.80 1tsq s LEU 97 Ca 0.17 0.59 -0.05 0.00 -1.03 0.00 0.00 54.13 53.80 1tsq s LEU 97 Cb 0.07 -2.52 0.03 0.00 0.03 0.00 0.00 46.19 43.79 1tsq s LEU 97 CO -0.02 0.30 0.19 0.20 0.23 0.00 0.00 176.35 177.25 1tsq s ASN 98 N -1.48 -0.20 0.00 2.29 0.01 -1.26 -5.29 114.94 109.02 1tsq s ASN 98 Ca 0.24 0.40 0.00 0.00 -0.71 0.00 0.00 52.86 52.79 1tsq s ASN 98 Cb -0.13 0.35 0.00 0.00 0.41 0.00 0.00 41.25 41.88 1tsq s ASN 98 CO 0.13 -0.11 0.00 2.22 -1.51 0.00 0.00 177.10 177.83