#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tth s THR 2 N 0.00 4.82 0.00 2.03 -4.23 -1.26 -5.08 115.64 111.92 1tth s THR 2 Ca 0.00 1.13 0.00 0.00 -1.18 0.00 0.00 61.69 61.64 1tth s THR 2 Cb 0.00 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 69.98 1tth s THR 2 CO 0.00 0.54 0.00 0.00 -0.54 0.00 0.00 174.62 174.62 1tth n HIS 3 N 1.86 0.00 -1.77 3.99 -0.00 -1.26 -5.05 115.22 112.99 1tth n HIS 3 Ca -0.11 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.44 1tth n HIS 3 Cb 0.51 0.00 0.11 0.00 -0.00 0.00 0.00 29.99 30.61 1tth n HIS 3 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1tth n ASP 4 N 0.00 0.24 -2.17 4.39 5.68 -1.26 -4.91 116.55 118.52 1tth n ASP 4 Ca 0.00 -1.39 -0.01 0.00 -0.50 0.00 0.00 54.79 52.89 1tth n ASP 4 Cb 0.00 -0.57 -0.01 0.00 -1.14 0.00 0.00 41.12 39.40 1tth n ASP 4 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1tth n ASN 5 N -3.39 -6.76 0.00 -1.12 2.85 -1.26 -4.98 115.26 100.60 1tth n ASN 5 Ca 0.10 1.46 0.00 0.00 -0.11 0.00 0.00 54.58 56.03 1tth n ASN 5 Cb 0.36 -4.50 0.00 0.00 1.24 0.00 0.00 39.78 36.88 1tth n ASN 5 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1tth n LYS 6 N 1.49 0.00 -4.40 1.20 4.01 -1.26 -4.87 118.16 114.33 1tth n LYS 6 Ca -0.07 0.00 -0.27 0.00 -0.51 0.00 0.00 58.31 57.46 1tth n LYS 6 Cb 0.11 0.00 -0.12 0.00 -0.51 0.00 0.00 35.03 34.51 1tth n LYS 6 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 1tth s LEU 7 N 0.00 2.39 -0.30 -0.35 2.96 -1.26 -5.11 118.68 117.02 1tth s LEU 7 Ca 0.00 -0.82 -0.11 0.00 -0.22 0.00 0.00 54.13 52.97 1tth s LEU 7 Cb 0.00 -1.15 0.18 0.00 0.50 0.00 0.00 46.19 45.72 1tth s LEU 7 CO 0.00 0.13 1.03 -1.58 -1.32 0.00 0.00 176.35 174.61 1tth s GLN 8 N -2.46 0.17 -0.20 1.98 0.74 -1.26 -5.03 119.66 113.60 1tth s GLN 8 Ca 0.18 0.23 0.01 0.00 0.05 0.00 0.00 55.36 55.82 1tth s GLN 8 Cb -0.08 0.12 0.22 0.00 1.10 0.00 0.00 33.01 34.36 1tth s GLN 8 CO 0.08 -0.27 1.59 0.28 -0.55 0.00 0.00 175.29 176.42 1tth n VAL 9 N 5.27 2.12 -1.40 1.34 0.31 -1.26 -4.64 118.33 120.07 1tth n VAL 9 Ca 0.03 -0.97 -0.40 0.00 -0.01 0.00 0.00 64.34 62.98 1tth n VAL 9 Cb 0.56 -1.01 -0.02 0.00 -0.91 0.00 0.00 33.84 32.46 1tth n VAL 9 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1tth n GLU 10 N 0.13 2.46 -3.48 5.55 4.71 -1.26 -4.67 120.64 124.08 1tth n GLU 10 Ca 0.23 -2.20 0.00 0.00 -0.01 0.00 0.00 57.16 55.19 1tth n GLU 10 Cb 0.81 -3.03 -0.04 0.00 -1.01 0.00 0.00 31.44 28.17 1tth n GLU 10 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1tth s ALA 11 N 3.66 -2.51 0.38 0.62 0.00 -1.26 -4.84 121.76 117.81 1tth s ALA 11 Ca 0.52 2.14 0.05 0.00 0.00 0.00 0.00 51.96 54.68 1tth s ALA 11 Cb 0.14 -1.95 -0.07 0.00 0.00 0.00 0.00 23.12 21.24 1tth s ALA 11 CO -0.02 -0.90 0.03 0.96 0.00 0.00 0.00 175.76 175.84 1tth s ILE 12 N 2.47 1.56 0.15 0.00 -5.25 -1.26 -5.02 121.20 113.84 1tth s ILE 12 Ca -0.04 -2.00 -0.11 0.00 -0.99 0.00 0.00 60.65 57.51 1tth s ILE 12 Cb -0.07 -2.83 -0.00 0.00 2.95 0.00 0.00 42.46 42.50 1tth s ILE 12 CO -0.18 0.00 1.54 0.50 -1.79 0.00 0.00 174.94 175.02 1tth h LYS 13 N 1.88 0.93 -4.74 0.37 3.64 -1.93 -3.35 116.57 113.38 1tth h LYS 13 Ca -0.42 -0.38 -0.34 0.00 -1.27 0.00 0.00 60.65 58.23 1tth h LYS 13 Cb 1.25 -0.04 -0.24 0.00 -0.41 0.00 0.00 32.23 32.79 1tth h LYS 13 CO 0.75 1.04 -0.76 1.03 -2.27 0.00 0.00 179.45 179.24 1tth s ARG 14 N -4.72 0.63 0.00 1.90 0.52 -1.26 -0.12 118.95 115.90 1tth s ARG 14 Ca -0.12 -0.61 0.00 0.00 -0.52 0.00 0.00 55.73 54.48 1tth s ARG 14 Cb 0.12 -0.53 0.00 0.00 0.52 0.00 0.00 34.95 35.06 1tth s ARG 14 CO 0.85 0.12 0.00 0.41 0.02 0.00 0.00 175.30 176.71 1tth n GLY 15 N 1.99 1.00 3.26 -3.53 0.00 -1.01 -1.56 105.19 105.35 1tth n GLY 15 Ca -0.19 -1.92 -0.24 0.00 0.00 0.00 0.00 46.02 43.67 1tth n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tth s THR 16 N -1.64 1.61 -0.28 2.61 2.01 -0.87 -2.22 115.64 116.86 1tth s THR 16 Ca 0.00 -1.41 -0.00 0.00 0.31 0.00 0.00 61.69 60.59 1tth s THR 16 Cb 0.00 -1.46 0.09 0.00 0.01 0.00 0.00 72.50 71.14 1tth s THR 16 CO 0.00 -0.01 0.05 -0.69 -0.69 0.00 0.00 174.62 173.28 1tth s VAL 17 N -1.06 1.16 -1.17 3.82 1.01 -0.86 -2.02 120.40 121.27 1tth s VAL 17 Ca 0.06 -1.38 -0.20 0.00 0.00 0.00 0.00 61.98 60.45 1tth s VAL 17 Cb -0.10 -1.75 0.06 0.00 0.00 0.00 0.00 36.38 34.59 1tth s VAL 17 CO 0.03 -0.48 1.61 -0.63 0.00 0.00 0.00 175.10 175.63 1tth s ILE 18 N 1.50 4.04 0.74 2.22 -1.09 0.11 -1.83 121.20 126.89 1tth s ILE 18 Ca 0.05 -1.41 -0.11 0.00 -2.23 0.00 0.00 60.65 56.96 1tth s ILE 18 Cb -0.18 -5.14 0.04 0.00 -1.58 0.00 0.00 42.46 35.60 1tth s ILE 18 CO -0.16 -1.99 1.08 -0.62 -1.23 0.00 0.00 174.94 172.01 1tth s ASP 19 N 4.56 4.97 -1.20 3.58 2.15 0.14 -2.93 116.67 127.93 1tth s ASP 19 Ca 0.50 1.53 -0.10 0.00 0.43 0.00 0.00 52.55 54.91 1tth s ASP 19 Cb 0.02 -2.34 -0.02 0.00 -0.30 0.00 0.00 42.92 40.29 1tth s ASP 19 CO -0.00 -1.70 0.75 1.41 -0.17 0.00 0.00 175.17 175.46 1tth n HIS 20 N -3.28 -1.97 -3.37 -5.34 8.25 -1.26 -2.27 115.22 105.98 1tth n HIS 20 Ca 0.07 0.66 -0.39 0.00 -0.26 0.00 0.00 57.72 57.80 1tth n HIS 20 Cb 0.54 -3.87 -0.09 0.00 1.12 0.00 0.00 29.99 27.70 1tth n HIS 20 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1tth s ILE 21 N -3.56 5.16 0.09 1.59 1.01 -0.88 -3.96 121.20 120.64 1tth s ILE 21 Ca 0.29 0.62 -0.36 0.00 0.00 0.00 0.00 60.65 61.20 1tth s ILE 21 Cb -0.09 -3.72 -0.17 0.00 0.01 0.00 0.00 42.46 38.49 1tth s ILE 21 CO 0.83 0.15 1.24 -2.65 0.00 0.00 0.00 174.94 174.52 1tth n PRO 22 N 5.29 0.92 -1.54 2.79 -0.02 -1.26 0.12 135.00 141.30 1tth n PRO 22 Ca -0.08 0.33 -0.43 0.00 -2.02 0.00 0.00 63.50 61.30 1tth n PRO 22 Cb 0.51 -1.91 -0.00 0.00 -0.02 0.00 0.00 33.50 32.07 1tth n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1tth n ALA 23 N 2.11 -0.71 0.00 3.55 0.00 -1.25 -1.54 120.51 122.67 1tth n ALA 23 Ca 0.18 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1tth n ALA 23 Cb 0.18 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1tth n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1tth n GLN 24 N 0.56 0.00 0.28 0.00 1.13 -1.26 -4.73 117.38 113.36 1tth n GLN 24 Ca 0.11 0.00 0.13 0.00 -1.94 0.00 0.00 57.00 55.30 1tth n GLN 24 Cb 0.35 0.00 0.81 0.00 0.11 0.00 0.00 30.24 31.51 1tth n GLN 24 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1tth h ILE 25 N 0.00 0.65 0.07 5.09 1.08 -1.61 -3.11 117.51 119.67 1tth h ILE 25 Ca 0.00 -0.15 0.01 0.00 -0.39 0.00 0.00 64.86 64.33 1tth h ILE 25 Cb 0.00 1.09 -0.04 0.00 -3.07 0.00 0.00 36.82 34.80 1tth h ILE 25 CO 0.00 0.04 -0.45 1.23 -0.69 0.00 0.00 178.15 178.28 1tth h GLY 26 N 0.21 -1.18 -0.15 5.37 0.00 -1.85 -2.97 103.07 102.50 1tth h GLY 26 Ca -0.00 0.64 0.06 0.00 0.00 0.00 0.00 47.33 48.03 1tth h GLY 26 CO 0.00 -0.29 -0.39 -2.75 0.00 0.00 0.00 176.54 173.11 1tth h PHE 27 N -0.62 -1.12 0.00 5.60 3.57 -1.93 -2.87 116.94 119.57 1tth h PHE 27 Ca -0.00 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1tth h PHE 27 Cb 0.63 0.53 0.00 0.00 2.79 0.00 0.00 35.95 39.90 1tth h PHE 27 CO -0.45 -0.43 0.00 1.63 -2.23 0.00 0.00 178.31 176.83 1tth n LYS 28 N -5.42 0.00 -0.24 1.11 5.02 -1.15 -1.72 118.16 115.76 1tth n LYS 28 Ca -0.01 0.83 0.04 0.00 -2.02 0.00 0.00 58.31 57.14 1tth n LYS 28 Cb 0.35 -1.44 0.09 0.00 -0.02 0.00 0.00 35.03 34.01 1tth n LYS 28 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1tth n LEU 29 N -2.54 -0.24 -0.29 -0.35 4.77 -1.13 0.96 117.00 118.17 1tth n LEU 29 Ca 0.00 1.13 0.15 0.00 -0.03 0.00 0.00 56.01 57.25 1tth n LEU 29 Cb 0.00 -0.34 0.40 0.00 -2.33 0.00 0.00 43.42 41.15 1tth n LEU 29 CO 0.00 -1.08 1.22 -0.07 -1.33 0.00 0.00 177.39 176.13 1tth h LEU 30 N 0.00 0.62 0.00 2.23 3.38 -1.10 -2.47 115.31 117.96 1tth h LEU 30 Ca 0.31 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.34 1tth h LEU 30 Cb 0.48 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1tth h LEU 30 CO -0.67 0.27 -0.16 0.77 0.09 0.00 0.00 178.44 178.73 1tth h SER 31 N 0.63 0.00 -0.64 -0.43 4.64 0.70 0.31 113.55 118.76 1tth h SER 31 Ca 0.50 -0.04 0.06 0.00 -0.47 0.00 0.00 61.79 61.84 1tth h SER 31 Cb 0.92 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.92 1tth h SER 31 CO -0.25 0.60 -0.53 0.25 -0.87 0.00 0.00 176.83 176.04 1tth h LEU 32 N -1.00 -1.86 -2.10 5.97 6.46 -1.08 1.42 115.31 123.12 1tth h LEU 32 Ca -0.00 0.26 0.00 0.00 -0.12 0.00 0.00 57.88 58.02 1tth h LEU 32 Cb 0.19 0.79 0.00 0.00 -0.73 0.00 0.00 40.66 40.92 1tth h LEU 32 CO -0.00 -0.29 0.00 0.49 -0.62 0.00 0.00 178.44 178.01 1tth n PHE 33 N -5.12 0.95 -4.01 1.25 3.72 -0.94 -4.91 117.46 108.39 1tth n PHE 33 Ca -0.01 -0.36 -0.38 0.00 -0.05 0.00 0.00 57.45 56.65 1tth n PHE 33 Cb 0.28 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 1tth n PHE 33 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1tth n LYS 34 N 0.51 -0.98 0.00 -1.08 5.02 0.48 -4.84 118.16 117.28 1tth n LYS 34 Ca 0.15 0.21 0.14 0.00 -2.02 0.00 0.00 58.31 56.79 1tth n LYS 34 Cb 0.62 -3.33 0.69 0.00 -0.02 0.00 0.00 35.03 32.99 1tth n LYS 34 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1tth n LEU 35 N -4.69 0.00 -0.16 -0.35 4.77 0.11 -2.65 117.00 114.02 1tth n LEU 35 Ca -0.17 0.33 0.12 0.00 -0.03 0.00 0.00 56.01 56.26 1tth n LEU 35 Cb 0.61 -0.33 0.17 0.00 -2.33 0.00 0.00 43.42 41.54 1tth n LEU 35 CO 0.75 -0.02 0.39 1.07 -1.33 0.00 0.00 177.39 178.25 1tth n THR 36 N -1.33 0.00 0.31 -5.08 5.66 -1.23 -4.30 114.28 108.32 1tth n THR 36 Ca 0.12 -0.08 -0.07 0.00 -3.05 0.00 0.00 64.05 60.97 1tth n THR 36 Cb 0.25 0.61 0.05 0.00 -1.55 0.00 0.00 70.33 69.69 1tth n THR 36 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1tth n GLU 37 N -0.98 1.36 -3.51 1.09 1.02 -1.08 -4.73 120.64 113.80 1tth n GLU 37 Ca 0.08 -0.86 -0.23 0.00 -0.02 0.00 0.00 57.16 56.13 1tth n GLU 37 Cb 0.36 -1.34 0.01 0.00 -0.02 0.00 0.00 31.44 30.46 1tth n GLU 37 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 1tth n THR 38 N 0.07 0.00 -0.33 2.62 5.66 -1.26 -5.07 114.28 115.97 1tth n THR 38 Ca 0.17 -1.99 0.00 0.00 -3.05 0.00 0.00 64.05 59.18 1tth n THR 38 Cb 0.82 -0.15 0.00 0.00 -1.55 0.00 0.00 70.33 69.45 1tth n THR 38 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1tth n ASP 39 N -1.94 0.69 -4.79 1.09 8.00 -1.26 -5.07 116.55 113.27 1tth n ASP 39 Ca 0.01 -1.01 -0.32 0.00 0.71 0.00 0.00 54.79 54.17 1tth n ASP 39 Cb 0.58 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.72 1tth n ASP 39 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1tth s GLN 40 N -0.01 2.92 -0.63 -1.24 -1.52 -1.26 -4.90 119.66 113.01 1tth s GLN 40 Ca 0.00 1.25 -0.26 0.00 -1.95 0.00 0.00 55.36 54.40 1tth s GLN 40 Cb 0.00 -1.98 -0.04 0.00 -0.22 0.00 0.00 33.01 30.77 1tth s GLN 40 CO 0.00 -1.14 2.04 0.50 -0.25 0.00 0.00 175.29 176.44 1tth s ARG 41 N -4.30 2.43 0.26 2.91 3.52 -1.26 -4.70 118.95 117.81 1tth s ARG 41 Ca 0.64 0.67 -0.10 0.00 -0.13 0.00 0.00 55.73 56.81 1tth s ARG 41 Cb -0.18 -4.55 -0.07 0.00 -1.56 0.00 0.00 34.95 28.59 1tth s ARG 41 CO 0.43 -3.05 0.59 0.42 -0.81 0.00 0.00 175.30 172.88 1tth s ILE 42 N 10.30 4.89 -0.05 4.11 1.01 -1.26 -1.60 121.20 138.60 1tth s ILE 42 Ca 0.76 0.51 -0.02 0.00 0.00 0.00 0.00 60.65 61.90 1tth s ILE 42 Cb -0.13 -3.64 0.04 0.00 0.01 0.00 0.00 42.46 38.74 1tth s ILE 42 CO 0.18 -0.15 0.10 0.42 0.00 0.00 0.00 174.94 175.49 1tth s THR 43 N -1.91 -0.13 -0.07 2.92 -4.23 -0.61 -5.00 115.64 106.60 1tth s THR 43 Ca 0.48 0.33 0.05 0.00 -1.18 0.00 0.00 61.69 61.37 1tth s THR 43 Cb -0.11 -0.19 -0.00 0.00 1.34 0.00 0.00 72.50 73.53 1tth s THR 43 CO 0.22 0.14 -0.23 -0.63 -0.54 0.00 0.00 174.62 173.58 1tth s ILE 44 N 1.83 1.92 -0.29 2.99 1.01 -1.26 -2.23 121.20 125.17 1tth s ILE 44 Ca -0.01 -0.97 -0.00 0.00 0.00 0.00 0.00 60.65 59.67 1tth s ILE 44 Cb -0.12 -1.65 0.05 0.00 0.01 0.00 0.00 42.46 40.75 1tth s ILE 44 CO -0.04 0.53 -0.03 -0.83 0.00 0.00 0.00 174.94 174.57 1tth s GLY 45 N 0.12 1.72 -0.14 6.18 0.00 0.10 -5.02 107.32 110.28 1tth s GLY 45 Ca -0.11 -1.75 -0.10 0.00 0.00 0.00 0.00 44.72 42.76 1tth s GLY 45 CO 0.06 0.66 0.19 1.08 0.00 0.00 0.00 173.10 175.09 1tth s LEU 46 N 1.21 4.31 -1.53 0.66 1.43 -1.26 -0.24 118.68 123.26 1tth s LEU 46 Ca -0.06 0.44 0.00 0.00 -1.03 0.00 0.00 54.13 53.48 1tth s LEU 46 Cb -0.20 -2.18 0.00 0.00 0.03 0.00 0.00 46.19 43.85 1tth s LEU 46 CO -0.02 0.27 0.00 0.59 0.23 0.00 0.00 176.35 177.42 1tth n ASN 47 N 2.78 -4.68 -4.59 2.29 5.03 -1.26 -4.91 115.26 109.92 1tth n ASN 47 Ca -0.17 0.21 -0.43 0.00 0.87 0.00 0.00 54.58 55.07 1tth n ASN 47 Cb 0.53 -4.03 -0.02 0.00 -1.02 0.00 0.00 39.78 35.24 1tth n ASN 47 CO 0.00 0.00 0.00 -1.48 -1.83 0.00 0.00 177.26 173.95 1tth s LEU 48 N -5.21 3.55 0.60 3.41 0.05 -1.20 -4.62 118.68 115.26 1tth s LEU 48 Ca 0.00 0.32 -0.18 0.00 0.05 0.00 0.00 54.13 54.32 1tth s LEU 48 Cb 0.00 -3.38 -0.05 0.00 -2.05 0.00 0.00 46.19 40.72 1tth s LEU 48 CO 0.00 -1.37 0.99 -0.81 -0.55 0.00 0.00 176.35 174.61 1tth n PRO 49 N 8.13 0.92 0.09 1.48 -0.04 -1.26 -3.24 135.00 141.08 1tth n PRO 49 Ca 0.11 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 1tth n PRO 49 Cb 0.49 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.76 1tth n PRO 49 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1tth n SER 50 N -0.84 0.43 0.00 3.54 3.41 -1.13 -4.90 113.62 114.13 1tth n SER 50 Ca 0.14 0.29 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 1tth n SER 50 Cb 0.47 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1tth n SER 50 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tth n GLY 51 N 2.51 -0.81 0.30 5.00 0.00 -1.26 -4.96 105.19 105.98 1tth n GLY 51 Ca 0.00 0.35 0.06 0.00 0.00 0.00 0.00 46.02 46.44 1tth n GLY 51 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1tth h GLU 52 N 0.00 0.56 -4.65 1.61 3.07 -2.02 -3.31 114.58 109.84 1tth h GLU 52 Ca 0.00 -0.03 -0.69 0.00 -0.50 0.00 0.00 59.36 58.13 1tth h GLU 52 Cb 0.00 -0.13 -0.32 0.00 -0.84 0.00 0.00 28.75 27.47 1tth h GLU 52 CO 0.00 0.37 -0.62 -1.64 -1.40 0.00 0.00 179.01 175.72 1tth s MET 53 N -5.98 2.38 0.27 2.33 -1.94 -1.26 -5.03 119.30 110.08 1tth s MET 53 Ca -0.12 -1.40 -0.06 0.00 -1.71 0.00 0.00 55.69 52.40 1tth s MET 53 Cb 0.21 -3.40 0.50 0.00 2.01 0.00 0.00 34.83 34.15 1tth s MET 53 CO 0.77 -0.77 1.58 0.78 -0.01 0.00 0.00 175.02 177.37 1tth h GLY 54 N 8.10 0.82 -6.75 -0.03 0.00 -1.97 -3.00 103.07 100.24 1tth h GLY 54 Ca -0.20 0.26 -0.28 0.00 0.00 0.00 0.00 47.33 47.11 1tth h GLY 54 CO 0.61 -0.39 -0.60 0.50 0.00 0.00 0.00 176.54 176.66 1tth s ARG 55 N -6.19 0.14 -0.11 4.80 0.52 -1.26 -3.45 118.95 113.39 1tth s ARG 55 Ca -0.14 0.45 0.02 0.00 -0.52 0.00 0.00 55.73 55.53 1tth s ARG 55 Cb 0.26 -0.64 0.01 0.00 0.52 0.00 0.00 34.95 35.10 1tth s ARG 55 CO 0.77 -0.46 -0.17 -1.59 0.02 0.00 0.00 175.30 173.87 1tth s LYS 56 N 2.34 2.41 1.01 3.54 -2.85 -1.20 -3.81 119.74 121.18 1tth s LYS 56 Ca 0.04 -0.63 -0.12 0.00 -1.00 0.00 0.00 55.97 54.27 1tth s LYS 56 Cb -0.14 -2.01 0.19 0.00 -2.06 0.00 0.00 37.83 33.82 1tth s LYS 56 CO -0.09 -0.04 1.08 -0.51 0.10 0.00 0.00 175.35 175.89 1tth s ASP 57 N 0.92 2.31 -0.29 0.03 1.01 0.33 -3.24 116.67 117.74 1tth s ASP 57 Ca -0.07 1.73 -0.22 0.00 0.71 0.00 0.00 52.55 54.69 1tth s ASP 57 Cb -0.15 -2.36 0.14 0.00 1.01 0.00 0.00 42.92 41.56 1tth s ASP 57 CO -0.01 -3.41 1.09 -0.22 0.21 0.00 0.00 175.17 172.83 1tth s LEU 58 N -6.74 -0.39 0.08 1.23 0.20 0.66 -2.08 118.68 111.65 1tth s LEU 58 Ca 0.66 0.71 0.06 0.00 0.69 0.00 0.00 54.13 56.25 1tth s LEU 58 Cb -0.22 1.70 -0.03 0.00 -0.43 0.00 0.00 46.19 47.20 1tth s LEU 58 CO 0.60 -0.12 -0.16 -0.63 -0.29 0.00 0.00 176.35 175.76 1tth s ILE 59 N 0.50 1.28 -0.16 6.68 1.01 -1.15 -0.72 121.20 128.65 1tth s ILE 59 Ca 0.00 -1.41 -0.12 0.00 0.00 0.00 0.00 60.65 59.13 1tth s ILE 59 Cb -0.05 -1.24 0.05 0.00 0.01 0.00 0.00 42.46 41.23 1tth s ILE 59 CO -0.10 -0.21 0.40 -1.59 0.00 0.00 0.00 174.94 173.44 1tth s LYS 60 N -1.89 0.43 0.03 2.79 -2.85 -0.95 0.08 119.74 117.38 1tth s LYS 60 Ca 0.01 0.66 0.05 0.00 -1.00 0.00 0.00 55.97 55.69 1tth s LYS 60 Cb -0.09 0.11 -0.03 0.00 -2.06 0.00 0.00 37.83 35.75 1tth s LYS 60 CO 0.03 -0.10 -0.11 0.42 0.10 0.00 0.00 175.35 175.68 1tth s ILE 61 N 0.76 3.28 -0.08 3.79 1.09 -0.86 -1.58 121.20 127.61 1tth s ILE 61 Ca -0.04 -0.99 -0.16 0.00 -1.10 0.00 0.00 60.65 58.35 1tth s ILE 61 Cb -0.05 -2.43 -0.05 0.00 -1.06 0.00 0.00 42.46 38.87 1tth s ILE 61 CO -0.06 0.34 0.43 -0.70 -0.10 0.00 0.00 174.94 174.85 1tth s GLU 62 N -1.53 4.18 0.00 2.79 -6.30 -0.63 -2.05 118.70 115.17 1tth s GLU 62 Ca 0.17 0.39 0.00 0.00 -2.50 0.00 0.00 54.97 53.03 1tth s GLU 62 Cb -0.11 -3.36 0.00 0.00 0.00 0.00 0.00 34.13 30.66 1tth s GLU 62 CO 0.07 0.36 0.00 0.09 0.02 0.00 0.00 175.26 175.81 1tth n ASN 63 N 2.99 -0.87 -4.80 -1.70 4.13 -0.60 -4.33 115.26 110.08 1tth n ASN 63 Ca -0.10 0.00 -0.36 0.00 1.68 0.00 0.00 54.58 55.80 1tth n ASN 63 Cb 0.52 -1.15 -0.07 0.00 -1.54 0.00 0.00 39.78 37.53 1tth n ASN 63 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1tth s THR 64 N -2.55 4.99 -0.18 3.41 2.01 -1.26 -4.79 115.64 117.28 1tth s THR 64 Ca 0.00 -0.04 -0.00 0.00 0.31 0.00 0.00 61.69 61.95 1tth s THR 64 Cb 0.00 -3.17 0.04 0.00 0.01 0.00 0.00 72.50 69.38 1tth s THR 64 CO 0.00 0.57 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.08 1tth s PHE 65 N -1.01 1.83 0.45 4.92 0.08 -1.26 -2.75 117.98 120.23 1tth s PHE 65 Ca 0.16 -1.21 -0.24 0.00 0.12 0.00 0.00 56.93 55.76 1tth s PHE 65 Cb -0.12 -1.37 -0.08 0.00 -0.57 0.00 0.00 43.02 40.89 1tth s PHE 65 CO 0.05 -0.65 1.28 -0.51 -0.10 0.00 0.00 175.22 175.29 1tth s LEU 66 N 1.59 4.09 0.10 -0.37 2.01 -1.26 -5.03 118.68 119.81 1tth s LEU 66 Ca -0.00 2.58 -0.14 0.00 0.01 0.00 0.00 54.13 56.58 1tth s LEU 66 Cb -0.16 -4.06 -0.06 0.00 0.01 0.00 0.00 46.19 41.91 1tth s LEU 66 CO -0.08 -1.00 0.50 -0.94 1.01 0.00 0.00 176.35 175.85 1tth s SER 67 N -0.95 6.82 0.42 2.29 1.04 -1.26 -4.90 113.70 117.16 1tth s SER 67 Ca 0.61 1.03 0.21 0.00 0.48 0.00 0.00 55.95 58.28 1tth s SER 67 Cb -0.36 -2.27 1.17 0.00 0.10 0.00 0.00 66.02 64.66 1tth s SER 67 CO 0.45 0.17 1.79 -0.33 0.98 0.00 0.00 173.24 176.30 1tth h GLU 68 N 3.87 0.33 0.34 4.02 5.08 -1.98 1.50 114.58 127.73 1tth h GLU 68 Ca -0.49 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 57.83 1tth h GLU 68 Cb 1.20 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1tth h GLU 68 CO 0.65 0.22 -0.16 -0.44 -1.00 0.00 0.00 179.01 178.27 1tth h ASP 69 N 0.34 -0.38 -0.91 1.42 5.19 -2.00 -2.68 116.42 117.39 1tth h ASP 69 Ca 0.57 0.01 0.25 0.00 -0.62 0.00 0.00 57.03 57.25 1tth h ASP 69 Cb 1.56 0.10 -0.14 0.00 0.18 0.00 0.00 39.33 41.02 1tth h ASP 69 CO -0.24 0.06 0.33 1.56 -3.12 0.00 0.00 179.24 177.83 1tth h GLN 70 N -1.11 0.25 0.76 3.56 4.20 -1.57 -0.92 115.11 120.28 1tth h GLN 70 Ca -0.05 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.61 1tth h GLN 70 Cb 0.35 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1tth h GLN 70 CO 0.08 0.16 -0.43 0.28 -0.67 0.00 0.00 178.83 178.25 1tth h VAL 71 N 0.25 0.00 -0.93 -0.54 2.07 0.20 -3.19 116.25 114.11 1tth h VAL 71 Ca 0.60 0.00 0.27 0.00 0.82 0.00 0.00 66.70 68.39 1tth h VAL 71 Cb 1.24 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.86 1tth h VAL 71 CO -0.63 0.00 0.30 0.44 0.02 0.00 0.00 177.57 177.69 1tth h ASP 72 N -1.10 0.06 -0.99 0.57 5.19 -0.82 0.36 116.42 119.69 1tth h ASP 72 Ca -0.10 0.21 0.29 0.00 -0.62 0.00 0.00 57.03 56.81 1tth h ASP 72 Cb 0.87 0.27 -0.04 0.00 0.18 0.00 0.00 39.33 40.61 1tth h ASP 72 CO 0.13 -0.21 0.71 1.56 -3.12 0.00 0.00 179.24 178.32 1tth h GLN 73 N 0.18 0.00 0.00 3.56 4.20 -1.43 0.84 115.11 122.47 1tth h GLN 73 Ca 0.62 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.33 1tth h GLN 73 Cb 1.34 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.12 1tth h GLN 73 CO -0.70 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 178.74 1tth n LEU 74 N -4.24 0.00 0.00 1.46 4.77 0.12 -2.95 117.00 116.16 1tth n LEU 74 Ca 0.21 0.47 0.08 0.00 -0.03 0.00 0.00 56.01 56.74 1tth n LEU 74 Cb 1.06 -0.47 0.42 0.00 -2.33 0.00 0.00 43.42 42.10 1tth n LEU 74 CO 0.39 -0.26 0.72 0.00 -1.33 0.00 0.00 177.39 176.91 1tth n ALA 75 N -1.47 1.93 0.04 -1.18 0.00 0.29 -0.16 120.51 119.96 1tth n ALA 75 Ca 0.04 -0.08 0.05 0.00 0.00 0.00 0.00 53.44 53.44 1tth n ALA 75 Cb 0.15 -1.26 -0.08 0.00 0.00 0.00 0.00 19.45 18.26 1tth n ALA 75 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1tth n LEU 76 N -1.22 0.62 0.00 0.00 7.94 -1.15 -3.97 117.00 119.21 1tth n LEU 76 Ca 0.09 0.26 0.00 0.00 -1.11 0.00 0.00 56.01 55.24 1tth n LEU 76 Cb 0.11 0.05 0.00 0.00 0.53 0.00 0.00 43.42 44.12 1tth n LEU 76 CO 0.12 0.04 -0.29 -1.22 -1.11 0.00 0.00 177.39 174.93 1tth n TYR 77 N -2.69 0.00 -2.72 1.96 4.02 -0.93 -4.91 117.16 111.89 1tth n TYR 77 Ca -0.08 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.74 1tth n TYR 77 Cb 0.72 0.00 0.07 0.00 -0.02 0.00 0.00 39.34 40.11 1tth n TYR 77 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1tth n ALA 78 N -1.14 -1.82 0.38 -0.72 0.00 0.78 -4.80 120.51 113.18 1tth n ALA 78 Ca 0.00 -1.14 0.14 0.00 0.00 0.00 0.00 53.44 52.44 1tth n ALA 78 Cb 0.00 -1.78 0.52 0.00 0.00 0.00 0.00 19.45 18.20 1tth n ALA 78 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1tth h PRO 79 N 3.53 0.00 -0.64 0.00 0.13 -1.68 -2.79 132.00 130.55 1tth h PRO 79 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1tth h PRO 79 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1tth h PRO 79 CO 0.17 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 177.94 1tth n GLN 80 N -2.54 3.38 -2.88 0.86 0.00 -1.26 -4.15 117.38 110.78 1tth n GLN 80 Ca 0.02 -2.45 -0.19 0.00 0.00 0.00 0.00 57.00 54.38 1tth n GLN 80 Cb 0.29 -1.82 0.02 0.00 0.00 0.00 0.00 30.24 28.74 1tth n GLN 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1tth s ALA 81 N -1.83 4.32 -0.10 2.61 0.00 -1.05 -4.94 121.76 120.76 1tth s ALA 81 Ca 0.44 -1.59 0.02 0.00 0.00 0.00 0.00 51.96 50.82 1tth s ALA 81 Cb 0.28 -1.77 0.02 0.00 0.00 0.00 0.00 23.12 21.65 1tth s ALA 81 CO 0.21 -0.50 -0.14 0.95 0.00 0.00 0.00 175.76 176.28 1tth s THR 82 N -2.52 1.43 0.11 0.00 -4.23 -0.96 -3.90 115.64 105.57 1tth s THR 82 Ca 0.56 -0.60 -0.17 0.00 -1.18 0.00 0.00 61.69 60.30 1tth s THR 82 Cb -0.10 -1.31 -0.07 0.00 1.34 0.00 0.00 72.50 72.36 1tth s THR 82 CO 0.35 0.43 0.57 -0.69 -0.54 0.00 0.00 174.62 174.74 1tth s VAL 83 N 0.99 4.77 -0.14 2.29 1.01 -0.01 0.25 120.40 129.56 1tth s VAL 83 Ca -0.07 1.07 0.00 0.00 0.00 0.00 0.00 61.98 62.98 1tth s VAL 83 Cb -0.15 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.43 1tth s VAL 83 CO -0.01 0.41 -0.11 0.20 0.00 0.00 0.00 175.10 175.58 1tth s ASN 84 N -1.38 2.62 -1.18 3.32 0.01 -0.76 -0.83 114.94 116.74 1tth s ASN 84 Ca 0.33 -0.49 -0.20 0.00 -0.71 0.00 0.00 52.86 51.79 1tth s ASN 84 Cb -0.18 -1.07 0.06 0.00 0.41 0.00 0.00 41.25 40.48 1tth s ASN 84 CO 0.19 -0.09 1.61 -0.60 -1.51 0.00 0.00 177.10 176.70 1tth s ARG 85 N 1.55 3.82 -0.44 -0.60 3.52 -0.06 -2.04 118.95 124.71 1tth s ARG 85 Ca 0.04 -1.64 -0.26 0.00 -0.13 0.00 0.00 55.73 53.74 1tth s ARG 85 Cb -0.13 -5.46 0.02 0.00 -1.56 0.00 0.00 34.95 27.82 1tth s ARG 85 CO -0.10 -2.23 0.96 0.42 -0.81 0.00 0.00 175.30 173.55 1tth s ILE 86 N 4.51 4.46 -0.06 4.11 -1.09 -0.94 -1.17 121.20 131.02 1tth s ILE 86 Ca 0.50 0.96 0.04 0.00 -2.23 0.00 0.00 60.65 59.92 1tth s ILE 86 Cb 0.02 -4.44 0.00 0.00 -1.58 0.00 0.00 42.46 36.47 1tth s ILE 86 CO 0.00 -0.78 -0.16 -0.62 -1.23 0.00 0.00 174.94 172.15 1tth s ASP 87 N 2.19 2.15 -1.49 3.58 2.15 -1.09 -2.39 116.67 121.77 1tth s ASP 87 Ca 0.39 -0.36 -0.09 0.00 0.43 0.00 0.00 52.55 52.93 1tth s ASP 87 Cb -0.10 -0.76 0.06 0.00 -0.30 0.00 0.00 42.92 41.82 1tth s ASP 87 CO 0.25 0.12 0.77 -3.20 -0.17 0.00 0.00 175.17 172.94 1tth n ASN 88 N 3.38 -2.77 0.00 -0.34 2.85 0.83 -1.68 115.26 117.53 1tth n ASN 88 Ca -0.20 -0.88 0.00 0.00 -0.11 0.00 0.00 54.58 53.40 1tth n ASN 88 Cb 0.53 -3.55 0.00 0.00 1.24 0.00 0.00 39.78 38.00 1tth n ASN 88 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1tth n TYR 89 N -4.48 0.00 -4.69 1.20 4.01 -0.68 -4.94 117.16 107.57 1tth n TYR 89 Ca -0.10 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.30 1tth n TYR 89 Cb 0.59 -0.52 -0.12 0.00 -0.31 0.00 0.00 39.34 38.98 1tth n TYR 89 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1tth s GLU 90 N 0.00 2.76 -0.19 -0.72 2.12 -0.68 -4.76 118.70 117.23 1tth s GLU 90 Ca 0.00 -0.59 -0.33 0.00 0.36 0.00 0.00 54.97 54.41 1tth s GLU 90 Cb 0.00 -2.55 -0.10 0.00 0.26 0.00 0.00 34.13 31.74 1tth s GLU 90 CO 0.00 0.61 2.07 1.55 -0.54 0.00 0.00 175.26 178.95 1tth n VAL 91 N 2.38 0.42 0.01 3.70 3.14 -1.26 -2.66 118.33 124.05 1tth n VAL 91 Ca -0.18 -0.25 -0.00 0.00 -2.96 0.00 0.00 64.34 60.95 1tth n VAL 91 Cb 0.53 -2.03 -0.10 0.00 -1.06 0.00 0.00 33.84 31.18 1tth n VAL 91 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 1tth n VAL 92 N 6.46 1.10 -3.64 1.55 0.24 -0.32 -4.97 118.33 118.76 1tth n VAL 92 Ca 0.30 -0.70 -0.10 0.00 -2.04 0.00 0.00 64.34 61.80 1tth n VAL 92 Cb 0.32 -0.63 -0.07 0.00 -1.47 0.00 0.00 33.84 31.99 1tth n VAL 92 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1tth s GLY 93 N -4.86 -0.28 -0.32 7.63 0.00 -1.25 -4.98 107.32 103.26 1tth s GLY 93 Ca -0.04 2.53 -0.05 0.00 0.00 0.00 0.00 44.72 47.16 1tth s GLY 93 CO 0.82 1.94 0.07 1.25 0.00 0.00 0.00 173.10 177.19 1tth s LYS 94 N 0.50 2.66 0.48 2.90 2.20 -1.26 -0.88 119.74 126.34 1tth s LYS 94 Ca -0.00 -1.14 0.06 0.00 -0.36 0.00 0.00 55.97 54.52 1tth s LYS 94 Cb -0.05 -3.37 -0.01 0.00 -1.51 0.00 0.00 37.83 32.89 1tth s LYS 94 CO -0.06 -0.61 0.25 -1.54 -0.36 0.00 0.00 175.35 173.02 1tth s SER 95 N 1.38 4.50 -0.03 1.43 1.04 -0.01 -4.94 113.70 117.08 1tth s SER 95 Ca -0.02 -1.21 -0.03 0.00 0.48 0.00 0.00 55.95 55.17 1tth s SER 95 Cb -0.19 0.01 0.01 0.00 0.10 0.00 0.00 66.02 65.94 1tth s SER 95 CO 0.02 -0.81 0.08 -0.60 0.98 0.00 0.00 173.24 172.90 1tth s ARG 96 N -4.06 0.13 -0.38 4.02 6.06 -1.26 -0.83 118.95 122.63 1tth s ARG 96 Ca 0.33 0.04 -0.28 0.00 -2.50 0.00 0.00 55.73 53.33 1tth s ARG 96 Cb 0.01 0.06 -0.03 0.00 0.06 0.00 0.00 34.95 35.04 1tth s ARG 96 CO 0.19 -0.02 1.96 -1.25 -2.50 0.00 0.00 175.30 173.68 1tth s PRO 97 N -0.12 3.03 -0.10 5.12 0.04 -1.25 -4.88 135.00 136.85 1tth s PRO 97 Ca -0.02 1.39 -0.06 0.00 0.04 0.00 0.00 61.00 62.36 1tth s PRO 97 Cb -0.01 -4.31 -0.04 0.00 0.04 0.00 0.00 34.50 30.18 1tth s PRO 97 CO 0.00 -2.22 0.14 -1.54 0.04 0.00 0.00 177.00 173.43 1tth s SER 98 N 7.54 6.34 0.21 6.66 1.04 -1.26 -4.50 113.70 129.73 1tth s SER 98 Ca 0.83 0.43 -0.32 0.00 0.48 0.00 0.00 55.95 57.38 1tth s SER 98 Cb -0.22 -2.03 -0.12 0.00 0.10 0.00 0.00 66.02 63.75 1tth s SER 98 CO 0.31 0.38 1.72 -0.22 0.98 0.00 0.00 173.24 176.40 1tth s LEU 99 N -1.20 4.37 0.54 2.42 2.96 -1.26 -4.58 118.68 121.92 1tth s LEU 99 Ca 0.17 2.87 0.00 0.00 -0.22 0.00 0.00 54.13 56.96 1tth s LEU 99 Cb -0.12 -3.60 0.03 0.00 0.50 0.00 0.00 46.19 42.99 1tth s LEU 99 CO 0.07 -0.97 0.77 -2.16 -1.32 0.00 0.00 176.35 172.73 1tth s PRO 100 N 1.09 2.66 0.05 0.98 0.04 -1.26 -5.04 135.00 133.51 1tth s PRO 100 Ca 0.74 -0.66 -0.32 0.00 0.04 0.00 0.00 61.00 60.80 1tth s PRO 100 Cb -0.50 -2.48 -0.18 0.00 0.04 0.00 0.00 34.50 31.38 1tth s PRO 100 CO 0.33 -0.64 1.48 0.93 0.04 0.00 0.00 177.00 179.14 1tth h GLU 101 N 0.10 -0.94 -3.04 4.56 4.39 -1.94 -3.40 114.58 114.32 1tth h GLU 101 Ca -0.43 0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.29 1tth h GLU 101 Cb 1.29 0.21 -0.14 0.00 -0.10 0.00 0.00 28.75 30.01 1tth h GLU 101 CO 0.54 -0.61 0.08 -0.98 -1.16 0.00 0.00 179.01 176.88 1tth s ARG 102 N -5.65 1.15 -0.58 2.33 3.03 -1.26 -1.34 118.95 116.63 1tth s ARG 102 Ca -0.17 -0.46 0.01 0.00 2.03 0.00 0.00 55.73 57.13 1tth s ARG 102 Cb 0.03 0.52 0.15 0.00 -1.03 0.00 0.00 34.95 34.61 1tth s ARG 102 CO 0.57 -0.46 0.36 -1.50 -1.13 0.00 0.00 175.30 173.14 1tth s ILE 103 N -3.37 3.15 1.12 4.99 -1.16 0.04 -4.93 121.20 121.05 1tth s ILE 103 Ca -0.00 -3.19 -0.19 0.00 -0.51 0.00 0.00 60.65 56.76 1tth s ILE 103 Cb 0.00 -3.11 0.29 0.00 0.61 0.00 0.00 42.46 40.25 1tth s ILE 103 CO -0.09 -0.85 0.73 0.47 -2.81 0.00 0.00 174.94 172.39 1tth n ASP 104 N 3.24 -3.31 0.00 4.50 8.00 -1.26 -3.46 116.55 124.26 1tth n ASP 104 Ca 0.07 -0.77 0.00 0.00 0.71 0.00 0.00 54.79 54.80 1tth n ASP 104 Cb 0.35 -0.79 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 1tth n ASP 104 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1tth n ASN 105 N -5.07 0.00 0.00 -2.24 6.94 -1.12 -4.82 115.26 108.95 1tth n ASN 105 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.67 1tth n ASN 105 Cb 0.47 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.89 1tth n ASN 105 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 1tth n VAL 106 N 0.00 0.00 -3.24 3.53 0.24 -1.26 -4.99 118.33 112.60 1tth n VAL 106 Ca 0.00 0.00 0.04 0.00 -2.04 0.00 0.00 64.34 62.34 1tth n VAL 106 Cb 0.00 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.34 1tth n VAL 106 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1tth s LEU 107 N 0.00 -0.42 -0.27 1.34 1.43 -1.26 -4.39 118.68 115.12 1tth s LEU 107 Ca 0.00 0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 53.40 1tth s LEU 107 Cb 0.00 1.42 -0.04 0.00 0.03 0.00 0.00 46.19 47.59 1tth s LEU 107 CO 0.00 -0.08 0.27 -0.69 0.23 0.00 0.00 176.35 176.08 1tth s VAL 108 N 2.60 5.26 -0.11 -1.59 1.01 0.25 -4.56 120.40 123.26 1tth s VAL 108 Ca -0.01 0.35 -0.37 0.00 0.00 0.00 0.00 61.98 61.95 1tth s VAL 108 Cb -0.07 -3.60 -0.14 0.00 0.00 0.00 0.00 36.38 32.57 1tth s VAL 108 CO -0.14 0.23 1.70 0.00 0.00 0.00 0.00 175.10 176.89 1tth n PRO 110 N 5.09 0.20 -2.24 0.00 -0.04 -1.26 -4.71 135.00 132.04 1tth n PRO 110 Ca 0.23 0.39 -0.43 0.00 -0.04 0.00 0.00 63.50 63.66 1tth n PRO 110 Cb 0.21 -1.86 -0.02 0.00 -0.04 0.00 0.00 33.50 31.79 1tth n PRO 110 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1tth s ASN 111 N -4.24 6.68 0.17 3.54 2.47 -1.26 -4.92 114.94 117.37 1tth s ASN 111 Ca 0.05 1.73 -0.08 0.00 0.42 0.00 0.00 52.86 54.98 1tth s ASN 111 Cb 0.10 -2.54 0.04 0.00 -1.45 0.00 0.00 41.25 37.40 1tth s ASN 111 CO 0.41 -0.99 1.52 0.28 -3.72 0.00 0.00 177.10 174.61 1tth h SER 112 N 9.38 0.89 -0.07 -4.21 0.02 -2.03 -2.40 113.55 115.13 1tth h SER 112 Ca -0.31 -0.40 -0.01 0.00 -0.84 0.00 0.00 61.79 60.23 1tth h SER 112 Cb 1.13 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 1tth h SER 112 CO 0.98 1.16 0.02 -3.20 -1.14 0.00 0.00 176.83 174.65 1tth n ASN 113 N -4.06 1.86 -4.74 3.07 5.15 -1.26 -4.83 115.26 110.44 1tth n ASN 113 Ca -0.02 -2.12 -0.40 0.00 -0.60 0.00 0.00 54.58 51.44 1tth n ASN 113 Cb 0.53 -0.52 -0.06 0.00 -0.53 0.00 0.00 39.78 39.20 1tth n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1tth h ILE 115 N 3.37 0.00 0.00 0.00 6.09 -1.89 -3.19 117.51 121.88 1tth h ILE 115 Ca -0.44 -0.53 0.00 0.00 -1.37 0.00 0.00 64.86 62.52 1tth h ILE 115 Cb 1.20 1.49 0.00 0.00 0.47 0.00 0.00 36.82 39.98 1tth h ILE 115 CO 0.69 0.00 0.00 -1.54 -3.07 0.00 0.00 178.15 174.23 1tth n SER 116 N -2.95 0.00 -0.08 2.19 3.41 -1.26 -2.65 113.62 112.28 1tth n SER 116 Ca 0.01 0.50 -0.08 0.00 -0.26 0.00 0.00 58.87 59.04 1tth n SER 116 Cb 0.33 -0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 63.74 1tth n SER 116 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1tth n HIS 117 N -1.50 0.82 0.36 7.33 8.25 -1.21 -4.64 115.22 124.64 1tth n HIS 117 Ca 0.01 0.35 -0.19 0.00 -0.26 0.00 0.00 57.72 57.64 1tth n HIS 117 Cb 0.05 -0.79 -0.10 0.00 1.12 0.00 0.00 29.99 30.27 1tth n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1tth h ALA 118 N -0.93 -1.22 -2.32 -1.41 0.00 -1.75 -3.44 119.26 108.18 1tth h ALA 118 Ca -0.07 -0.22 -0.48 0.00 0.00 0.00 0.00 54.91 54.14 1tth h ALA 118 Cb 0.70 0.65 0.05 0.00 0.00 0.00 0.00 17.79 19.19 1tth h ALA 118 CO -0.04 -1.20 0.38 -1.21 0.00 0.00 0.00 179.25 177.18 1tth s GLU 119 N -5.78 3.53 -1.03 0.00 0.41 -1.08 -4.99 118.70 109.76 1tth s GLU 119 Ca -0.18 1.22 -0.19 0.00 -0.41 0.00 0.00 54.97 55.41 1tth s GLU 119 Cb 0.03 -2.06 0.11 0.00 -1.78 0.00 0.00 34.13 30.43 1tth s GLU 119 CO 0.58 -0.64 1.32 -1.25 -0.49 0.00 0.00 175.26 174.77 1tth s PRO 120 N -3.83 3.70 0.05 0.39 0.04 -1.26 -4.77 135.00 129.31 1tth s PRO 120 Ca 0.64 -1.72 -0.01 0.00 0.04 0.00 0.00 61.00 59.95 1tth s PRO 120 Cb -0.15 -5.12 -0.04 0.00 0.04 0.00 0.00 34.50 29.23 1tth s PRO 120 CO 0.31 -1.94 -0.02 0.14 0.04 0.00 0.00 177.00 175.53 1tth s VAL 121 N 3.31 0.20 -0.11 -0.36 -7.23 -1.26 -5.14 120.40 109.81 1tth s VAL 121 Ca 0.40 -1.64 -0.27 0.00 -1.81 0.00 0.00 61.98 58.66 1tth s VAL 121 Cb -0.02 -1.30 -0.02 0.00 0.56 0.00 0.00 36.38 35.60 1tth s VAL 121 CO -0.07 -0.91 0.90 -0.44 -0.31 0.00 0.00 175.10 174.28 1tth s SER 122 N -2.66 7.12 1.00 4.85 0.01 -1.26 -4.98 113.70 117.77 1tth s SER 122 Ca 0.03 1.37 -0.17 0.00 1.31 0.00 0.00 55.95 58.48 1tth s SER 122 Cb 0.05 -2.50 -0.08 0.00 0.21 0.00 0.00 66.02 63.69 1tth s SER 122 CO -0.08 -0.37 -0.50 -1.54 0.41 0.00 0.00 173.24 171.15 1tth n SER 123 N 4.83 -4.20 -3.39 2.44 3.41 -1.26 -4.71 113.62 110.74 1tth n SER 123 Ca 0.06 0.17 0.03 0.00 -0.26 0.00 0.00 58.87 58.86 1tth n SER 123 Cb 0.49 -0.87 -0.05 0.00 -0.26 0.00 0.00 64.21 63.53 1tth n SER 123 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1tth s SER 124 N -1.36 -0.17 0.01 4.04 0.15 -1.26 -2.78 113.70 112.33 1tth s SER 124 Ca 0.46 0.25 0.07 0.00 0.70 0.00 0.00 55.95 57.42 1tth s SER 124 Cb -0.14 1.15 -0.02 0.00 -1.71 0.00 0.00 66.02 65.30 1tth s SER 124 CO 0.75 -0.04 -0.21 -0.36 1.20 0.00 0.00 173.24 174.58 1tth s PHE 125 N 1.74 1.90 0.19 3.44 0.40 -1.22 0.18 117.98 124.62 1tth s PHE 125 Ca -0.03 -0.37 -0.21 0.00 -0.60 0.00 0.00 56.93 55.72 1tth s PHE 125 Cb -0.02 -1.19 -0.08 0.00 0.51 0.00 0.00 43.02 42.24 1tth s PHE 125 CO -0.14 0.02 0.72 0.00 0.70 0.00 0.00 175.22 176.52 1tth s ALA 126 N -0.62 3.44 0.03 5.36 0.00 -0.51 -0.78 121.76 128.69 1tth s ALA 126 Ca 0.08 0.20 -0.03 0.00 0.00 0.00 0.00 51.96 52.21 1tth s ALA 126 Cb -0.08 -2.83 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 1tth s ALA 126 CO 0.00 0.33 0.23 0.08 0.00 0.00 0.00 175.76 176.40 1tth s VAL 127 N -1.38 5.36 -0.10 0.00 1.01 -0.45 -1.93 120.40 122.91 1tth s VAL 127 Ca 0.40 -0.13 -0.16 0.00 0.00 0.00 0.00 61.98 62.08 1tth s VAL 127 Cb -0.19 -3.58 0.04 0.00 0.00 0.00 0.00 36.38 32.65 1tth s VAL 127 CO 0.22 0.25 0.42 -0.60 0.00 0.00 0.00 175.10 175.39 1tth s ARG 128 N -2.14 0.61 -1.27 2.72 3.52 -0.21 -4.89 118.95 117.28 1tth s ARG 128 Ca 0.31 0.31 -0.19 0.00 -0.13 0.00 0.00 55.73 56.03 1tth s ARG 128 Cb -0.13 0.29 0.05 0.00 -1.56 0.00 0.00 34.95 33.59 1tth s ARG 128 CO 0.21 -0.13 1.76 0.21 -0.81 0.00 0.00 175.30 176.55 1tth s LYS 129 N -0.41 3.75 0.00 5.12 2.47 -1.26 0.79 119.74 130.20 1tth s LYS 129 Ca -0.05 -1.83 0.00 0.00 -1.56 0.00 0.00 55.97 52.52 1tth s LYS 129 Cb -0.03 -5.49 0.00 0.00 -1.46 0.00 0.00 37.83 30.85 1tth s LYS 129 CO 0.03 -2.52 0.03 -2.13 0.16 0.00 0.00 175.35 170.92 1tth n ARG 130 N 8.41 0.00 0.00 4.03 0.00 0.46 -4.96 116.66 124.60 1tth n ARG 130 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.33 1tth n ARG 130 Cb 0.46 -0.53 0.00 0.00 0.00 0.00 0.00 32.46 32.39 1tth n ARG 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1tth n ALA 131 N -2.85 2.07 -0.59 5.13 0.00 -1.26 -4.90 120.51 118.12 1tth n ALA 131 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1tth n ALA 131 Cb 0.00 0.00 0.33 0.00 0.00 0.00 0.00 19.45 19.78 1tth n ALA 131 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1tth n ASN 132 N -1.11 4.47 -3.57 0.00 6.94 -1.26 -5.02 115.26 115.70 1tth n ASN 132 Ca 0.00 -2.41 -0.02 0.00 -0.02 0.00 0.00 54.58 52.13 1tth n ASN 132 Cb 0.00 -0.54 0.01 0.00 -2.36 0.00 0.00 39.78 36.89 1tth n ASN 132 CO 0.00 0.00 0.00 1.51 -1.03 0.00 0.00 177.26 177.74 1tth s ASP 133 N -1.01 -0.05 0.12 0.53 -4.77 -1.26 -5.16 116.67 105.08 1tth s ASP 133 Ca 0.48 -0.44 -0.23 0.00 -3.30 0.00 0.00 52.55 49.05 1tth s ASP 133 Cb 0.30 0.39 -0.07 0.00 -1.09 0.00 0.00 42.92 42.45 1tth s ASP 133 CO 0.23 -0.75 0.69 -0.63 0.70 0.00 0.00 175.17 175.42 1tth s ILE 134 N -2.47 4.53 -0.03 2.11 1.09 -1.25 -0.40 121.20 124.77 1tth s ILE 134 Ca 0.19 1.51 0.02 0.00 -1.10 0.00 0.00 60.65 61.27 1tth s ILE 134 Cb -0.01 -4.04 -0.03 0.00 -1.06 0.00 0.00 42.46 37.32 1tth s ILE 134 CO 0.02 0.53 -0.06 0.00 -0.10 0.00 0.00 174.94 175.33 1tth s ALA 135 N -1.09 3.03 -0.17 9.38 0.00 0.24 -0.90 121.76 132.25 1tth s ALA 135 Ca 0.33 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.34 1tth s ALA 135 Cb -0.22 -1.20 0.02 0.00 0.00 0.00 0.00 23.12 21.73 1tth s ALA 135 CO 0.23 0.60 -0.19 -0.51 0.00 0.00 0.00 175.76 175.90 1tth s LEU 136 N -1.16 2.02 -0.33 0.00 1.43 0.52 -1.05 118.68 120.10 1tth s LEU 136 Ca 0.15 -0.61 -0.04 0.00 -1.03 0.00 0.00 54.13 52.60 1tth s LEU 136 Cb -0.11 -1.41 0.05 0.00 0.03 0.00 0.00 46.19 44.75 1tth s LEU 136 CO 0.05 -0.01 0.07 -0.75 0.23 0.00 0.00 176.35 175.94 1tth s LYS 137 N 1.34 2.49 0.21 1.70 2.20 -0.81 0.19 119.74 127.05 1tth s LYS 137 Ca 0.05 -1.27 -0.32 0.00 -0.36 0.00 0.00 55.97 54.07 1tth s LYS 137 Cb -0.13 -3.35 -0.13 0.00 -1.51 0.00 0.00 37.83 32.70 1tth s LYS 137 CO -0.12 -0.68 1.51 0.00 -0.36 0.00 0.00 175.35 175.70 1tth h LYS 139 N 5.12 0.85 0.00 0.00 3.64 0.16 -2.67 116.57 123.68 1tth h LYS 139 Ca -0.45 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1tth h LYS 139 Cb 1.26 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1tth h LYS 139 CO 0.83 0.56 0.00 0.66 -2.27 0.00 0.00 179.45 179.23 1tth n TYR 140 N -4.61 0.00 0.31 1.91 4.01 -1.26 -4.45 117.16 113.08 1tth n TYR 140 Ca 0.19 0.00 0.19 0.00 -0.16 0.00 0.00 57.90 58.12 1tth n TYR 140 Cb 0.41 -0.19 1.03 0.00 -0.31 0.00 0.00 39.34 40.28 1tth n TYR 140 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1tth n GLU 142 N -3.36 -0.68 -3.15 0.00 1.02 -1.00 -5.00 120.64 108.46 1tth n GLU 142 Ca -0.03 0.46 -0.39 0.00 -0.02 0.00 0.00 57.16 57.18 1tth n GLU 142 Cb 0.12 -4.16 -0.05 0.00 -0.02 0.00 0.00 31.44 27.33 1tth n GLU 142 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1tth s LYS 143 N -1.63 4.38 0.02 3.49 -0.14 -1.26 -4.81 119.74 119.80 1tth s LYS 143 Ca 0.00 0.75 0.05 0.00 -1.36 0.00 0.00 55.97 55.41 1tth s LYS 143 Cb 0.00 -3.41 -0.03 0.00 -1.68 0.00 0.00 37.83 32.71 1tth s LYS 143 CO 0.00 0.18 -0.11 -1.83 -0.76 0.00 0.00 175.35 172.83 1tth s GLU 144 N 0.44 2.34 -0.01 1.68 -1.05 -1.25 -1.45 118.70 119.41 1tth s GLU 144 Ca 0.33 -0.84 -0.04 0.00 -0.15 0.00 0.00 54.97 54.27 1tth s GLU 144 Cb -0.17 -2.37 -0.00 0.00 -0.44 0.00 0.00 34.13 31.15 1tth s GLU 144 CO 0.16 0.57 0.08 -0.06 0.95 0.00 0.00 175.26 176.96 1tth s PHE 145 N -0.98 0.05 0.53 4.83 0.08 0.50 -4.86 117.98 118.13 1tth s PHE 145 Ca 0.16 -0.12 -0.19 0.00 0.12 0.00 0.00 56.93 56.91 1tth s PHE 145 Cb -0.11 -0.06 -0.10 0.00 -0.57 0.00 0.00 43.02 42.18 1tth s PHE 145 CO 0.07 -0.18 0.44 -1.13 -0.10 0.00 0.00 175.22 174.32 1tth n SER 146 N 2.01 -1.35 -0.13 1.36 3.41 -1.26 0.19 113.62 117.86 1tth n SER 146 Ca -0.20 0.76 0.06 0.00 -0.26 0.00 0.00 58.87 59.23 1tth n SER 146 Cb 0.57 -1.12 0.32 0.00 -0.26 0.00 0.00 64.21 63.71 1tth n SER 146 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tth n HIS 147 N -1.52 0.07 -0.03 7.33 1.44 -0.07 -2.74 115.22 119.69 1tth n HIS 147 Ca 0.11 -0.03 0.05 0.00 -2.01 0.00 0.00 57.72 55.84 1tth n HIS 147 Cb 0.46 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.41 1tth n HIS 147 CO 0.00 0.00 0.00 0.09 -2.81 0.00 0.00 176.34 173.62 1tth n ASN 148 N -0.44 0.17 -0.09 4.39 4.13 -1.26 -4.57 115.26 117.59 1tth n ASN 148 Ca 0.09 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.26 1tth n ASN 148 Cb 0.10 1.71 -0.13 0.00 -1.54 0.00 0.00 39.78 39.92 1tth n ASN 148 CO 0.00 0.00 0.00 0.55 0.28 0.00 0.00 177.26 178.09 1tth n VAL 149 N -2.36 1.16 -1.90 2.41 3.14 -1.15 -4.95 118.33 114.68 1tth n VAL 149 Ca -0.11 -0.68 -0.41 0.00 -2.96 0.00 0.00 64.34 60.18 1tth n VAL 149 Cb 0.70 -0.64 -0.00 0.00 -1.06 0.00 0.00 33.84 32.84 1tth n VAL 149 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1tth s VAL 150 N -2.41 2.27 0.32 1.55 1.01 -1.11 -4.99 120.40 117.05 1tth s VAL 150 Ca -0.11 0.27 0.09 0.00 0.00 0.00 0.00 61.98 62.23 1tth s VAL 150 Cb 0.05 -3.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 1tth s VAL 150 CO 0.67 0.06 0.07 -0.22 0.00 0.00 0.00 175.10 175.67 1tth s LEU 151 N -2.17 3.16 0.10 3.92 0.20 -1.25 -4.98 118.68 117.65 1tth s LEU 151 Ca 0.54 -0.81 0.04 0.00 0.69 0.00 0.00 54.13 54.58 1tth s LEU 151 Cb -0.43 -1.61 -0.04 0.00 -0.43 0.00 0.00 46.19 43.67 1tth s LEU 151 CO 0.58 -0.20 -0.10 0.00 -0.29 0.00 0.00 176.35 176.34 1tth s ALA 152 N -2.43 1.13 -2.00 5.97 0.00 -1.26 0.85 121.76 124.02 1tth s ALA 152 Ca 0.35 -1.24 0.03 0.00 0.00 0.00 0.00 51.96 51.10 1tth s ALA 152 Cb -0.03 0.05 0.15 0.00 0.00 0.00 0.00 23.12 23.29 1tth s ALA 152 CO 0.21 -0.07 0.64 0.09 0.00 0.00 0.00 175.76 176.63