#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tth s ASN 2 N 0.00 6.28 0.53 0.00 2.20 -0.81 -4.96 114.94 118.18 1tth s ASN 2 Ca 0.00 0.05 0.35 0.00 -0.94 0.00 0.00 52.86 52.33 1tth s ASN 2 Cb 0.00 -1.83 1.77 0.00 -2.00 0.00 0.00 41.25 39.18 1tth s ASN 2 CO 0.00 -0.07 2.07 -0.65 -2.94 0.00 0.00 177.10 175.51 1tth h PRO 3 N 1.18 0.00 0.00 3.55 0.11 -1.94 -2.58 132.00 132.32 1tth h PRO 3 Ca -0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1tth h PRO 3 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1tth h PRO 3 CO 0.61 0.00 -1.25 1.28 -0.21 0.00 0.00 178.00 178.43 1tth n LEU 4 N -2.84 0.57 -4.69 2.35 4.77 -1.26 -4.86 117.00 111.04 1tth n LEU 4 Ca -0.01 -0.32 -0.52 0.00 -0.03 0.00 0.00 56.01 55.13 1tth n LEU 4 Cb 0.14 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.18 1tth n LEU 4 CO 0.20 0.14 1.38 0.00 -1.33 0.00 0.00 177.39 177.78 1tth n TYR 5 N -1.71 2.17 -0.99 -1.77 9.36 -0.92 -0.58 117.16 122.72 1tth n TYR 5 Ca 0.01 0.27 0.00 0.00 3.32 0.00 0.00 57.90 61.50 1tth n TYR 5 Cb 0.37 -2.56 0.00 0.00 -0.63 0.00 0.00 39.34 36.52 1tth n TYR 5 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1tth n GLN 6 N 5.72 -0.54 -2.64 2.98 1.13 0.76 -4.97 117.38 119.82 1tth n GLN 6 Ca 0.24 0.13 -0.30 0.00 -1.94 0.00 0.00 57.00 55.13 1tth n GLN 6 Cb 0.22 -3.54 -0.02 0.00 0.11 0.00 0.00 30.24 27.01 1tth n GLN 6 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1tth s LYS 7 N -0.55 3.76 -0.17 -1.09 3.01 0.25 -4.70 119.74 120.25 1tth s LYS 7 Ca 0.00 0.54 -0.19 0.00 -1.01 0.00 0.00 55.97 55.31 1tth s LYS 7 Cb 0.00 -2.31 -0.03 0.00 -1.01 0.00 0.00 37.83 34.47 1tth s LYS 7 CO 0.00 -0.16 0.55 -1.01 0.51 0.00 0.00 175.35 175.25 1tth s HIS 8 N -2.55 3.42 -0.67 3.18 3.76 -1.26 -4.57 115.29 116.60 1tth s HIS 8 Ca 0.52 0.88 -0.13 0.00 -0.15 0.00 0.00 55.06 56.18 1tth s HIS 8 Cb -0.10 -2.69 0.17 0.00 1.11 0.00 0.00 32.58 31.07 1tth s HIS 8 CO 0.35 -0.04 0.60 0.42 -0.85 0.00 0.00 174.74 175.23 1tth s ILE 9 N 1.39 5.16 -0.14 0.60 -1.09 -0.90 -4.76 121.20 121.45 1tth s ILE 9 Ca 0.27 -2.11 -0.10 0.00 -2.23 0.00 0.00 60.65 56.48 1tth s ILE 9 Cb -0.16 -4.26 -0.06 0.00 -1.58 0.00 0.00 42.46 36.41 1tth s ILE 9 CO 0.11 -0.93 -0.22 -0.38 -1.23 0.00 0.00 174.94 172.28 1tth n ILE 10 N 4.47 1.12 -4.69 2.92 2.08 -1.26 -0.49 119.36 123.50 1tth n ILE 10 Ca 0.01 -0.07 -0.23 0.00 0.56 0.00 0.00 62.75 63.03 1tth n ILE 10 Cb 0.43 -1.86 -0.15 0.00 -0.75 0.00 0.00 39.64 37.31 1tth n ILE 10 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1tth s SER 11 N -6.35 1.73 0.54 4.38 0.15 -1.26 -4.66 113.70 108.24 1tth s SER 11 Ca -0.22 -0.27 0.21 0.00 0.70 0.00 0.00 55.95 56.38 1tth s SER 11 Cb 0.07 -0.19 1.39 0.00 -1.71 0.00 0.00 66.02 65.58 1tth s SER 11 CO 0.29 0.18 2.10 0.40 1.20 0.00 0.00 173.24 177.41 1tth h ILE 12 N 4.78 0.82 0.00 6.45 5.03 -1.94 -0.89 117.51 131.76 1tth h ILE 12 Ca -0.35 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.39 1tth h ILE 12 Cb 1.16 0.89 0.00 0.00 -3.03 0.00 0.00 36.82 35.84 1tth h ILE 12 CO 0.49 0.00 0.00 -3.20 -0.68 0.00 0.00 178.15 174.76 1tth n ASN 13 N -4.35 0.36 -0.75 1.72 4.05 -1.26 -1.19 115.26 113.83 1tth n ASN 13 Ca 0.02 0.62 0.13 0.00 0.45 0.00 0.00 54.58 55.79 1tth n ASN 13 Cb 0.29 -0.68 0.30 0.00 1.23 0.00 0.00 39.78 40.92 1tth n ASN 13 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 1tth n ASP 14 N -1.93 2.34 -4.43 1.20 8.00 -0.34 -4.92 116.55 116.46 1tth n ASP 14 Ca 0.01 -1.78 -0.24 0.00 0.71 0.00 0.00 54.79 53.50 1tth n ASP 14 Cb 0.13 -0.03 -0.10 0.00 -0.02 0.00 0.00 41.12 41.10 1tth n ASP 14 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1tth s LEU 15 N -1.93 2.54 0.38 0.64 1.43 -0.34 -5.05 118.68 116.35 1tth s LEU 15 Ca 0.33 -0.98 0.07 0.00 -1.03 0.00 0.00 54.13 52.53 1tth s LEU 15 Cb 0.20 -1.05 -0.01 0.00 0.03 0.00 0.00 46.19 45.37 1tth s LEU 15 CO 0.31 0.03 0.42 -0.94 0.23 0.00 0.00 176.35 176.40 1tth s SER 16 N -3.23 5.44 0.16 2.29 1.04 -1.26 -4.97 113.70 113.17 1tth s SER 16 Ca 0.26 -0.49 -0.23 0.00 0.48 0.00 0.00 55.95 55.97 1tth s SER 16 Cb -0.05 -0.82 0.04 0.00 0.10 0.00 0.00 66.02 65.29 1tth s SER 16 CO 0.12 -0.56 1.61 -0.09 0.98 0.00 0.00 173.24 175.30 1tth h ARG 17 N 0.96 -0.26 -0.35 4.02 2.43 -1.95 0.55 114.38 119.79 1tth h ARG 17 Ca -0.43 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 58.79 1tth h ARG 17 Cb 1.26 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.85 1tth h ARG 17 CO 0.54 -0.17 0.23 -0.44 -1.51 0.00 0.00 179.97 178.62 1tth h ASP 18 N -0.27 0.30 -0.23 -3.80 3.32 -1.98 0.37 116.42 114.13 1tth h ASP 18 Ca 0.15 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 1tth h ASP 18 Cb 0.52 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1tth h ASP 18 CO -0.47 0.21 -0.00 0.44 -1.72 0.00 0.00 179.24 177.69 1tth h ASP 19 N 0.35 0.41 0.48 6.45 3.32 -1.42 -1.76 116.42 124.25 1tth h ASP 19 Ca 0.14 -0.31 -0.02 0.00 0.02 0.00 0.00 57.03 56.86 1tth h ASP 19 Cb 0.14 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 1tth h ASP 19 CO -0.03 0.62 -0.29 -0.07 -1.72 0.00 0.00 179.24 177.75 1tth h LEU 20 N 0.19 -0.73 -0.99 1.55 3.38 0.11 -2.75 115.31 116.07 1tth h LEU 20 Ca 0.07 0.04 0.35 0.00 0.09 0.00 0.00 57.88 58.42 1tth h LEU 20 Cb 0.42 0.21 -0.16 0.00 0.09 0.00 0.00 40.66 41.21 1tth h LEU 20 CO 0.01 -0.45 0.51 0.78 0.09 0.00 0.00 178.44 179.39 1tth h ASN 21 N -0.72 0.37 0.13 -0.43 -0.26 -0.43 0.43 115.58 114.67 1tth h ASN 21 Ca -0.06 0.22 0.02 0.00 -0.56 0.00 0.00 56.30 55.91 1tth h ASN 21 Cb 0.57 0.21 -0.04 0.00 -1.06 0.00 0.00 38.32 38.00 1tth h ASN 21 CO 0.07 -0.25 -0.30 0.25 -1.06 0.00 0.00 177.43 176.13 1tth h LEU 22 N 0.19 -0.87 -0.28 1.61 5.85 -1.17 -0.35 115.31 120.30 1tth h LEU 22 Ca 0.76 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 59.58 1tth h LEU 22 Cb 1.82 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 43.16 1tth h LEU 22 CO -0.68 -0.39 0.17 0.58 -0.34 0.00 0.00 178.44 177.78 1tth h VAL 23 N -0.53 1.09 -0.78 1.05 2.07 0.10 -0.81 116.25 118.44 1tth h VAL 23 Ca 0.03 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1tth h VAL 23 Cb 0.55 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1tth h VAL 23 CO -0.17 0.09 0.46 -0.07 0.02 0.00 0.00 177.57 177.90 1tth h LEU 24 N 0.36 0.94 -0.43 2.57 3.38 -1.06 0.24 115.31 121.30 1tth h LEU 24 Ca 0.10 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 1tth h LEU 24 Cb -0.00 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1tth h LEU 24 CO -0.02 0.73 0.17 0.00 0.09 0.00 0.00 178.44 179.41 1tth h ALA 25 N 1.43 0.56 -0.53 1.53 0.00 -0.72 0.42 119.26 121.96 1tth h ALA 25 Ca 0.28 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1tth h ALA 25 Cb -0.03 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1tth h ALA 25 CO -0.05 0.17 0.20 1.15 0.00 0.00 0.00 179.25 180.72 1tth h THR 26 N 0.55 1.22 -0.62 0.00 2.02 -0.52 -1.37 112.91 114.19 1tth h THR 26 Ca 0.14 -0.69 0.13 0.00 0.77 0.00 0.00 66.41 66.76 1tth h THR 26 Cb 0.20 0.69 -0.10 0.00 -1.74 0.00 0.00 68.15 67.20 1tth h THR 26 CO -0.01 0.26 0.03 0.00 0.37 0.00 0.00 175.52 176.17 1tth h ALA 27 N 1.05 0.64 -0.15 6.16 0.00 -0.22 0.12 119.26 126.86 1tth h ALA 27 Ca 0.17 0.18 0.02 0.00 0.00 0.00 0.00 54.91 55.28 1tth h ALA 27 Cb 0.21 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1tth h ALA 27 CO -0.01 -0.38 0.04 0.00 0.00 0.00 0.00 179.25 178.90 1tth h ALA 28 N 1.56 0.16 -0.03 0.00 0.00 -0.60 -1.58 119.26 118.77 1tth h ALA 28 Ca 0.33 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 1tth h ALA 28 Cb 0.53 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 1tth h ALA 28 CO -0.51 -0.40 0.01 0.87 0.00 0.00 0.00 179.25 179.22 1tth h LYS 29 N 0.12 0.05 -0.19 0.00 1.79 -0.19 -3.02 116.57 115.13 1tth h LYS 29 Ca 0.07 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.50 1tth h LYS 29 Cb 0.05 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 1tth h LYS 29 CO -0.08 0.28 0.02 -0.07 -1.08 0.00 0.00 179.45 178.52 1tth h LEU 30 N -0.18 0.24 -2.08 2.94 3.38 -0.76 0.53 115.31 119.38 1tth h LEU 30 Ca 0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1tth h LEU 30 Cb 0.25 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1tth h LEU 30 CO 0.00 0.28 0.00 0.50 0.09 0.00 0.00 178.44 179.31 1tth h LYS 31 N 0.27 0.00 0.00 1.13 3.64 -1.15 -3.13 116.57 117.33 1tth h LYS 31 Ca 0.06 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.30 1tth h LYS 31 Cb 0.16 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1tth h LYS 31 CO 0.00 0.00 -1.54 0.00 -2.27 0.00 0.00 179.45 175.64 1tth n ALA 32 N -2.05 1.81 -3.97 5.00 0.00 -0.93 -4.88 120.51 115.49 1tth n ALA 32 Ca -0.01 -0.41 -0.31 0.00 0.00 0.00 0.00 53.44 52.71 1tth n ALA 32 Cb 0.19 0.28 -0.14 0.00 0.00 0.00 0.00 19.45 19.78 1tth n ALA 32 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1tth s ASN 33 N -4.94 4.59 0.47 0.00 2.47 0.18 -5.09 114.94 112.61 1tth s ASN 33 Ca -0.13 -2.59 -0.22 0.00 0.42 0.00 0.00 52.86 50.34 1tth s ASN 33 Cb 0.03 -1.65 -0.07 0.00 -1.45 0.00 0.00 41.25 38.11 1tth s ASN 33 CO 0.22 -0.32 1.13 -2.84 -3.72 0.00 0.00 177.10 171.58 1tth s PRO 34 N 0.31 3.75 -0.65 0.43 0.02 -1.19 -3.96 135.00 133.71 1tth s PRO 34 Ca 0.14 1.69 0.05 0.00 0.02 0.00 0.00 61.00 62.89 1tth s PRO 34 Cb -0.22 -2.34 0.17 0.00 0.02 0.00 0.00 34.50 32.12 1tth s PRO 34 CO -0.04 -0.53 0.46 -0.65 -0.33 0.00 0.00 177.00 175.90 1tth s GLN 35 N -2.80 2.22 0.49 5.54 -1.52 -1.26 -4.97 119.66 117.36 1tth s GLN 35 Ca 0.64 -3.13 0.31 0.00 -1.95 0.00 0.00 55.36 51.24 1tth s GLN 35 Cb -0.26 -3.15 1.41 0.00 -0.22 0.00 0.00 33.01 30.79 1tth s GLN 35 CO 0.31 -1.28 1.77 -1.00 -0.25 0.00 0.00 175.29 174.84 1tth h PRO 36 N 5.53 0.13 0.00 2.91 0.13 -1.90 -2.78 132.00 136.01 1tth h PRO 36 Ca 0.14 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1tth h PRO 36 Cb 0.78 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1tth h PRO 36 CO 0.67 0.08 -0.05 0.39 -0.23 0.00 0.00 178.00 178.86 1tth n GLU 37 N -4.35 1.68 -0.33 0.86 1.02 -1.26 -2.21 120.64 116.05 1tth n GLU 37 Ca 0.28 -1.84 0.13 0.00 -0.02 0.00 0.00 57.16 55.71 1tth n GLU 37 Cb 1.19 -1.13 0.32 0.00 -0.02 0.00 0.00 31.44 31.80 1tth n GLU 37 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1tth h LEU 38 N 0.00 0.62 -3.11 -4.62 5.85 -1.36 -2.00 115.31 110.68 1tth h LEU 38 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1tth h LEU 38 Cb 0.85 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.91 1tth h LEU 38 CO 0.00 0.16 0.00 0.18 -0.34 0.00 0.00 178.44 178.44 1tth n LEU 39 N -4.87 3.26 -4.60 2.25 4.77 0.86 -5.02 117.00 113.65 1tth n LEU 39 Ca 0.23 -2.72 -0.42 0.00 -0.03 0.00 0.00 56.01 53.08 1tth n LEU 39 Cb 0.61 -0.41 0.01 0.00 -2.33 0.00 0.00 43.42 41.30 1tth n LEU 39 CO 0.18 0.68 0.56 1.17 -1.33 0.00 0.00 177.39 178.65 1tth n LYS 40 N -0.43 1.31 0.00 3.23 4.81 -0.76 -1.22 118.16 125.11 1tth n LYS 40 Ca 0.17 0.47 0.00 0.00 -0.87 0.00 0.00 58.31 58.08 1tth n LYS 40 Cb 0.69 -2.01 0.00 0.00 0.02 0.00 0.00 35.03 33.73 1tth n LYS 40 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1tth n HIS 41 N -0.48 0.00 -2.74 5.64 8.25 -1.26 -4.93 115.22 119.70 1tth n HIS 41 Ca 0.09 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.17 1tth n HIS 41 Cb 0.39 -0.13 -0.06 0.00 1.12 0.00 0.00 29.99 31.31 1tth n HIS 41 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1tth s LYS 42 N 0.00 4.66 -0.19 -0.41 3.01 -0.35 -4.95 119.74 121.50 1tth s LYS 42 Ca 0.00 1.42 0.01 0.00 -1.01 0.00 0.00 55.97 56.39 1tth s LYS 42 Cb 0.00 -2.97 0.03 0.00 -1.01 0.00 0.00 37.83 33.89 1tth s LYS 42 CO 0.00 0.33 -0.13 0.08 0.51 0.00 0.00 175.35 176.14 1tth s VAL 43 N -1.45 1.73 0.04 3.17 1.01 -1.26 -0.84 120.40 122.80 1tth s VAL 43 Ca 0.47 -0.93 0.07 0.00 0.00 0.00 0.00 61.98 61.59 1tth s VAL 43 Cb -0.22 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 1tth s VAL 43 CO 0.28 0.30 -0.18 -0.63 0.00 0.00 0.00 175.10 174.87 1tth s ILE 44 N 1.38 2.78 -0.20 2.22 1.01 0.36 0.14 121.20 128.90 1tth s ILE 44 Ca 0.01 -1.21 -0.14 0.00 0.00 0.00 0.00 60.65 59.31 1tth s ILE 44 Cb -0.15 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 1tth s ILE 44 CO -0.10 0.32 0.33 0.00 0.00 0.00 0.00 174.94 175.50 1tth s ALA 45 N -0.93 3.57 -0.56 9.38 0.00 -1.07 -0.68 121.76 131.48 1tth s ALA 45 Ca 0.15 -0.56 -0.02 0.00 0.00 0.00 0.00 51.96 51.52 1tth s ALA 45 Cb -0.10 -2.52 0.14 0.00 0.00 0.00 0.00 23.12 20.64 1tth s ALA 45 CO 0.05 -0.17 0.36 0.45 0.00 0.00 0.00 175.76 176.45 1tth s SER 46 N 0.88 5.20 -0.73 0.00 0.15 -0.67 -0.39 113.70 118.15 1tth s SER 46 Ca 0.17 -2.62 -0.09 0.00 0.70 0.00 0.00 55.95 54.10 1tth s SER 46 Cb -0.14 -1.84 0.19 0.00 -1.71 0.00 0.00 66.02 62.53 1tth s SER 46 CO 0.06 -0.41 0.62 0.00 1.20 0.00 0.00 173.24 174.71 1tth s PHE 48 N 0.14 3.25 -2.16 0.00 0.40 -0.66 -2.21 117.98 116.74 1tth s PHE 48 Ca 0.17 -0.82 0.30 0.00 -0.60 0.00 0.00 56.93 55.98 1tth s PHE 48 Cb -0.15 -2.79 1.43 0.00 0.51 0.00 0.00 43.02 42.02 1tth s PHE 48 CO -0.06 -0.69 1.96 1.19 0.70 0.00 0.00 175.22 178.32 1tth n PHE 49 N 5.14 0.00 -3.87 0.36 3.01 0.10 -3.20 117.46 119.00 1tth n PHE 49 Ca -0.12 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.25 1tth n PHE 49 Cb 0.45 -0.03 -0.08 0.00 -0.01 0.00 0.00 39.48 39.82 1tth n PHE 49 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1tth s ALA 50 N -2.07 -0.21 0.50 4.37 0.00 -1.23 -4.57 121.76 118.55 1tth s ALA 50 Ca 0.41 -0.56 -0.22 0.00 0.00 0.00 0.00 51.96 51.58 1tth s ALA 50 Cb 0.21 0.41 -0.08 0.00 0.00 0.00 0.00 23.12 23.66 1tth s ALA 50 CO 0.37 -0.45 1.07 0.00 0.00 0.00 0.00 175.76 176.75 1tth n ALA 51 N 0.18 0.53 -3.64 0.00 0.00 -1.26 -4.94 120.51 111.39 1tth n ALA 51 Ca -0.16 0.15 -0.10 0.00 0.00 0.00 0.00 53.44 53.33 1tth n ALA 51 Cb 0.61 -2.15 -0.07 0.00 0.00 0.00 0.00 19.45 17.84 1tth n ALA 51 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1tth s SER 52 N -0.89 -0.54 -0.05 0.00 0.15 -1.26 -5.04 113.70 106.07 1tth s SER 52 Ca 0.68 1.02 -0.09 0.00 0.70 0.00 0.00 55.95 58.26 1tth s SER 52 Cb -0.48 1.05 -0.03 0.00 -1.71 0.00 0.00 66.02 64.85 1tth s SER 52 CO 0.53 -0.17 -0.17 0.41 1.20 0.00 0.00 173.24 175.03 1tth n THR 53 N 2.46 1.25 0.08 6.45 -1.04 -1.26 -4.65 114.28 117.57 1tth n THR 53 Ca -0.13 0.27 -0.11 0.00 -2.04 0.00 0.00 64.05 62.04 1tth n THR 53 Cb 0.56 -1.93 -0.07 0.00 -1.82 0.00 0.00 70.33 67.07 1tth n THR 53 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1tth h ARG 54 N -0.49 -0.27 0.07 -2.82 3.08 -1.98 -2.99 114.38 109.00 1tth h ARG 54 Ca 0.00 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1tth h ARG 54 Cb 0.49 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.60 1tth h ARG 54 CO 0.00 0.11 -0.03 1.15 -1.07 0.00 0.00 179.97 180.13 1tth h THR 55 N -0.88 0.96 0.27 2.04 2.02 -1.97 -1.00 112.91 114.34 1tth h THR 55 Ca -0.03 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 1tth h THR 55 Cb 0.51 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1tth h THR 55 CO 0.05 0.03 -0.13 -0.09 0.37 0.00 0.00 175.52 175.74 1tth h ARG 56 N -0.14 -0.35 0.23 6.66 2.43 -1.83 -2.36 114.38 119.03 1tth h ARG 56 Ca -0.01 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1tth h ARG 56 Cb 0.12 0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1tth h ARG 56 CO 0.02 -0.10 -0.11 -0.07 -1.51 0.00 0.00 179.97 178.20 1tth h LEU 57 N -0.56 -0.26 -0.94 3.80 3.38 -1.52 -0.72 115.31 118.48 1tth h LEU 57 Ca -0.04 -0.04 0.16 0.00 0.09 0.00 0.00 57.88 58.05 1tth h LEU 57 Cb 0.41 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.13 1tth h LEU 57 CO 0.06 -0.13 0.54 0.77 0.09 0.00 0.00 178.44 179.78 1tth h SER 58 N -0.38 0.71 0.48 -0.43 4.64 -1.25 0.57 113.55 117.89 1tth h SER 58 Ca -0.03 0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 1tth h SER 58 Cb 0.29 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1tth h SER 58 CO 0.05 0.30 -0.23 -0.26 -0.87 0.00 0.00 176.83 175.82 1tth h PHE 59 N 0.75 -0.60 -0.97 4.77 0.04 -1.05 0.01 116.94 119.88 1tth h PHE 59 Ca 0.51 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 61.28 1tth h PHE 59 Cb 0.71 0.20 -0.05 0.00 2.20 0.00 0.00 35.95 39.01 1tth h PHE 59 CO -0.04 -0.36 0.64 0.93 -0.60 0.00 0.00 178.31 178.88 1tth h GLU 60 N -0.68 1.29 0.05 1.51 5.08 0.48 -0.80 114.58 121.51 1tth h GLU 60 Ca -0.07 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1tth h GLU 60 Cb 0.51 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1tth h GLU 60 CO 0.11 0.86 -0.02 1.15 -1.00 0.00 0.00 179.01 180.11 1tth h THR 61 N 1.32 1.00 -0.81 1.13 2.02 0.18 -1.42 112.91 116.35 1tth h THR 61 Ca 0.36 -0.17 0.15 0.00 0.77 0.00 0.00 66.41 67.52 1tth h THR 61 Cb -0.14 1.12 -0.15 0.00 -1.74 0.00 0.00 68.15 67.24 1tth h THR 61 CO -0.08 0.04 -0.26 0.28 0.37 0.00 0.00 175.52 175.87 1tth h SER 62 N -0.14 -0.96 -0.31 4.18 0.02 -0.46 0.57 113.55 116.45 1tth h SER 62 Ca -0.01 0.25 0.06 0.00 -0.84 0.00 0.00 61.79 61.26 1tth h SER 62 Cb 0.12 0.57 -0.06 0.00 0.14 0.00 0.00 62.40 63.17 1tth h SER 62 CO 0.01 -0.28 -0.10 0.24 -1.14 0.00 0.00 176.83 175.56 1tth h MET 63 N -0.03 -0.03 -0.11 3.45 2.07 -0.86 -1.42 114.93 118.01 1tth h MET 63 Ca 0.36 0.00 -0.13 0.00 -2.07 0.00 0.00 59.70 57.86 1tth h MET 63 Cb 0.59 0.01 -0.01 0.00 -1.87 0.00 0.00 31.60 30.32 1tth h MET 63 CO -0.84 -0.02 -0.49 0.45 1.07 0.00 0.00 176.91 177.08 1tth h HIS 64 N -0.03 0.34 -0.03 -0.22 3.86 0.21 0.16 115.15 119.44 1tth h HIS 64 Ca 0.15 -0.11 0.01 0.00 -1.16 0.00 0.00 60.37 59.27 1tth h HIS 64 Cb 0.26 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.66 1tth h HIS 64 CO -0.31 0.72 0.03 0.00 0.86 0.00 0.00 177.93 179.22 1tth h ARG 65 N 0.22 0.00 -0.62 2.45 2.47 0.60 -0.88 114.38 118.62 1tth h ARG 65 Ca 0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1tth h ARG 65 Cb 0.95 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.27 1tth h ARG 65 CO 0.08 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.89 1tth n LEU 66 N -4.42 3.67 0.00 3.04 4.77 -0.59 -4.16 117.00 119.31 1tth n LEU 66 Ca -0.02 -1.77 0.00 0.00 -0.03 0.00 0.00 56.01 54.19 1tth n LEU 66 Cb 0.12 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1tth n LEU 66 CO 0.33 0.89 0.00 0.61 -1.33 0.00 0.00 177.39 177.89 1tth n GLY 67 N 1.59 0.75 3.78 -0.72 0.00 -0.33 -0.09 105.19 110.16 1tth n GLY 67 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 1tth n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tth s ALA 68 N -3.19 2.58 -0.01 4.61 0.00 -0.05 -3.99 121.76 121.71 1tth s ALA 68 Ca 0.00 0.47 -0.08 0.00 0.00 0.00 0.00 51.96 52.35 1tth s ALA 68 Cb 0.00 -3.28 -0.05 0.00 0.00 0.00 0.00 23.12 19.79 1tth s ALA 68 CO 0.00 -1.09 0.29 -1.54 0.00 0.00 0.00 175.76 173.42 1tth s SER 69 N -2.69 6.55 0.14 0.00 1.04 -0.02 -4.11 113.70 114.60 1tth s SER 69 Ca 0.65 0.64 0.09 0.00 0.48 0.00 0.00 55.95 57.81 1tth s SER 69 Cb -0.19 -2.12 -0.04 0.00 0.10 0.00 0.00 66.02 63.77 1tth s SER 69 CO 0.40 0.28 -0.14 -0.69 0.98 0.00 0.00 173.24 174.07 1tth s VAL 70 N -1.23 3.02 -0.23 5.02 1.01 -1.26 -0.49 120.40 126.24 1tth s VAL 70 Ca 0.25 -1.57 -0.14 0.00 0.00 0.00 0.00 61.98 60.52 1tth s VAL 70 Cb -0.14 -2.44 0.07 0.00 0.00 0.00 0.00 36.38 33.88 1tth s VAL 70 CO 0.14 0.01 0.57 0.54 0.00 0.00 0.00 175.10 176.36 1tth s VAL 71 N -1.41 -0.01 -0.76 2.92 0.11 0.15 -4.92 120.40 116.49 1tth s VAL 71 Ca 0.21 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.30 1tth s VAL 71 Cb -0.10 -0.83 0.00 0.00 -1.53 0.00 0.00 36.38 33.92 1tth s VAL 71 CO 0.13 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.52 1tth n GLY 72 N 4.05 -0.72 3.19 6.54 0.00 -1.26 -1.67 105.19 115.33 1tth n GLY 72 Ca -0.20 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.28 1tth n GLY 72 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1tth s PHE 73 N -3.77 -0.30 -1.18 1.61 -0.12 -0.19 -4.95 117.98 109.09 1tth s PHE 73 Ca 0.00 0.70 0.27 0.00 -0.05 0.00 0.00 56.93 57.85 1tth s PHE 73 Cb 0.00 0.10 0.88 0.00 -0.63 0.00 0.00 43.02 43.38 1tth s PHE 73 CO 0.00 -0.20 1.67 -1.13 -0.05 0.00 0.00 175.22 175.51 1tth n SER 74 N 2.63 0.38 -3.65 1.98 3.41 -1.26 -1.65 113.62 115.46 1tth n SER 74 Ca -0.14 -0.14 -0.14 0.00 -0.26 0.00 0.00 58.87 58.19 1tth n SER 74 Cb 0.58 -0.04 -0.07 0.00 -0.26 0.00 0.00 64.21 64.41 1tth n SER 74 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1tth s ASP 75 N -2.86 -0.71 0.02 4.04 2.15 -1.20 -4.71 116.67 113.41 1tth s ASP 75 Ca 0.16 1.35 0.18 0.00 0.43 0.00 0.00 52.55 54.67 1tth s ASP 75 Cb 0.19 1.37 0.75 0.00 -0.30 0.00 0.00 42.92 44.92 1tth s ASP 75 CO 0.59 -0.23 1.57 -1.54 -0.17 0.00 0.00 175.17 175.38 1tth n SER 76 N 2.78 0.06 0.23 -0.34 3.41 -1.26 -4.02 113.62 114.47 1tth n SER 76 Ca -0.14 0.51 0.06 0.00 -0.26 0.00 0.00 58.87 59.05 1tth n SER 76 Cb 0.55 -0.52 0.54 0.00 -0.26 0.00 0.00 64.21 64.52 1tth n SER 76 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tth h ALA 77 N 2.57 1.60 -0.24 7.33 0.00 -1.95 -2.62 119.26 125.95 1tth h ALA 77 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1tth h ALA 77 Cb 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1tth h ALA 77 CO 0.00 0.23 0.00 0.09 0.00 0.00 0.00 179.25 179.57 1tth n ASN 78 N -4.18 3.72 -4.94 0.00 3.02 -1.26 -4.32 115.26 107.31 1tth n ASN 78 Ca -0.02 -2.99 -0.24 0.00 -0.03 0.00 0.00 54.58 51.29 1tth n ASN 78 Cb 0.25 -0.52 0.04 0.00 -0.61 0.00 0.00 39.78 38.94 1tth n ASN 78 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1tth s THR 79 N -2.77 3.08 -0.57 3.41 -4.23 -1.00 -4.93 115.64 108.62 1tth s THR 79 Ca 0.41 -0.31 0.25 0.00 -1.18 0.00 0.00 61.69 60.85 1tth s THR 79 Cb 0.33 -3.22 0.27 0.00 1.34 0.00 0.00 72.50 71.22 1tth s THR 79 CO 0.08 -0.20 1.74 -1.20 -0.54 0.00 0.00 174.62 174.51 1tth n SER 80 N -2.55 0.74 -0.04 3.99 7.64 -1.26 -1.43 113.62 120.71 1tth n SER 80 Ca 0.06 0.63 -0.16 0.00 1.01 0.00 0.00 58.87 60.41 1tth n SER 80 Cb 0.59 -0.81 -0.06 0.00 -1.01 0.00 0.00 64.21 62.92 1tth n SER 80 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1tth h LEU 81 N 0.00 0.97 -0.43 -3.43 6.46 -1.85 0.04 115.31 117.06 1tth h LEU 81 Ca 0.00 -0.59 -0.18 0.00 -0.12 0.00 0.00 57.88 56.99 1tth h LEU 81 Cb 0.51 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 1tth h LEU 81 CO 0.00 1.39 -0.71 1.23 -0.62 0.00 0.00 178.44 179.73 1tth h GLY 82 N 0.60 0.42 0.00 3.75 0.00 -1.20 -3.31 103.07 103.34 1tth h GLY 82 Ca -0.03 -0.58 -0.10 0.00 0.00 0.00 0.00 47.33 46.62 1tth h GLY 82 CO 0.15 0.52 -1.35 0.28 0.00 0.00 0.00 176.54 176.14 1tth n LYS 83 N -3.84 0.15 0.18 4.80 5.02 -0.52 -4.67 118.16 119.28 1tth n LYS 83 Ca -0.04 0.04 0.12 0.00 -2.02 0.00 0.00 58.31 56.42 1tth n LYS 83 Cb 0.70 -1.02 0.25 0.00 -0.02 0.00 0.00 35.03 34.93 1tth n LYS 83 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1tth h LYS 84 N -0.06 0.00 -0.12 1.97 1.57 -1.55 -3.48 116.57 114.91 1tth h LYS 84 Ca -0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1tth h LYS 84 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1tth h LYS 84 CO -0.04 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.25 1tth n GLY 85 N 1.17 1.23 3.77 3.86 0.00 -0.08 -4.99 105.19 110.16 1tth n GLY 85 Ca 0.04 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 1tth n GLY 85 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tth s GLU 86 N -2.18 3.96 0.58 1.61 2.12 -0.76 -4.96 118.70 119.07 1tth s GLU 86 Ca 0.00 1.81 -0.16 0.00 0.36 0.00 0.00 54.97 56.98 1tth s GLU 86 Cb 0.00 -2.58 -0.04 0.00 0.26 0.00 0.00 34.13 31.76 1tth s GLU 86 CO 0.00 -0.39 1.05 -0.08 -0.54 0.00 0.00 175.26 175.30 1tth s THR 87 N -1.47 3.89 0.38 -1.70 -1.32 -1.26 -4.62 115.64 109.55 1tth s THR 87 Ca 0.59 0.91 0.11 0.00 -1.21 0.00 0.00 61.69 62.10 1tth s THR 87 Cb -0.30 -3.43 0.12 0.00 -1.51 0.00 0.00 72.50 67.38 1tth s THR 87 CO 0.37 -0.51 1.86 0.25 -2.21 0.00 0.00 174.62 174.37 1tth h LEU 88 N 0.55 0.10 0.05 9.08 5.85 -1.97 -1.02 115.31 127.95 1tth h LEU 88 Ca -0.47 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.23 1tth h LEU 88 Cb 1.22 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1tth h LEU 88 CO 0.58 0.39 -0.07 0.00 -0.34 0.00 0.00 178.44 179.00 1tth h ALA 89 N 1.62 -0.11 -0.65 1.25 0.00 -1.94 0.53 119.26 119.97 1tth h ALA 89 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1tth h ALA 89 Cb 0.55 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1tth h ALA 89 CO 0.04 -0.57 0.32 -0.44 0.00 0.00 0.00 179.25 178.60 1tth h ASP 90 N -0.14 0.82 0.67 0.00 3.32 -1.89 -0.45 116.42 118.75 1tth h ASP 90 Ca 0.01 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 1tth h ASP 90 Cb 0.14 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1tth h ASP 90 CO -0.03 0.69 -0.33 0.74 -1.72 0.00 0.00 179.24 178.58 1tth h THR 91 N 0.91 0.32 -0.18 0.35 2.02 -0.22 -1.89 112.91 114.23 1tth h THR 91 Ca 0.23 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.38 1tth h THR 91 Cb 0.08 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 1tth h THR 91 CO -0.03 0.00 -0.02 0.40 0.37 0.00 0.00 175.52 176.23 1tth h ILE 92 N -0.92 1.13 -0.70 3.11 5.03 0.16 -2.30 117.51 123.02 1tth h ILE 92 Ca -0.09 -0.53 -0.01 0.00 -0.12 0.00 0.00 64.86 64.11 1tth h ILE 92 Cb 0.71 1.03 -0.03 0.00 -3.03 0.00 0.00 36.82 35.49 1tth h ILE 92 CO 0.14 0.17 0.40 0.28 -0.68 0.00 0.00 178.15 178.47 1tth h SER 93 N 0.26 0.84 0.20 1.72 0.02 -0.55 0.65 113.55 116.70 1tth h SER 93 Ca 0.06 -0.05 -0.35 0.00 -0.84 0.00 0.00 61.79 60.61 1tth h SER 93 Cb 0.22 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1tth h SER 93 CO 0.01 0.66 -1.94 1.33 -1.14 0.00 0.00 176.83 175.76 1tth n VAL 94 N -4.38 1.75 -0.05 2.27 0.24 -0.76 -3.88 118.33 113.52 1tth n VAL 94 Ca 0.07 -0.69 0.03 0.00 -2.04 0.00 0.00 64.34 61.71 1tth n VAL 94 Cb 0.08 -1.59 0.37 0.00 -1.47 0.00 0.00 33.84 31.23 1tth n VAL 94 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1tth h ILE 95 N 0.06 1.14 0.00 1.34 2.04 -1.37 -0.45 117.51 120.26 1tth h ILE 95 Ca -0.39 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.16 1tth h ILE 95 Cb 2.03 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 1tth h ILE 95 CO 0.09 0.14 -0.01 0.77 0.00 0.00 0.00 178.15 179.14 1tth h SER 96 N 0.66 0.00 0.06 1.72 4.64 -0.97 -0.18 113.55 119.47 1tth h SER 96 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1tth h SER 96 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 1tth h SER 96 CO -0.03 0.01 -0.01 0.35 -0.87 0.00 0.00 176.83 176.29 1tth n THR 97 N -3.57 0.00 -0.09 2.95 -2.24 -0.18 -4.07 114.28 107.08 1tth n THR 97 Ca -0.03 -0.04 -0.14 0.00 -2.27 0.00 0.00 64.05 61.57 1tth n THR 97 Cb 0.10 -0.34 -0.07 0.00 -2.10 0.00 0.00 70.33 67.92 1tth n THR 97 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1tth n TYR 98 N -0.85 0.00 -4.64 4.78 4.01 -0.09 -5.09 117.16 115.27 1tth n TYR 98 Ca 0.22 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.67 1tth n TYR 98 Cb 0.16 -0.65 -0.10 0.00 -0.31 0.00 0.00 39.34 38.44 1tth n TYR 98 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1tth s VAL 99 N -2.33 1.85 -0.21 -0.72 -7.23 -1.16 -5.00 120.40 105.59 1tth s VAL 99 Ca -0.24 -2.00 0.21 0.00 -1.81 0.00 0.00 61.98 58.15 1tth s VAL 99 Cb 0.07 -2.84 -0.02 0.00 0.56 0.00 0.00 36.38 34.14 1tth s VAL 99 CO 0.37 0.00 1.01 0.44 -0.31 0.00 0.00 175.10 176.61 1tth h ASP 100 N 1.69 0.00 -5.27 4.85 3.32 -0.65 -3.47 116.42 116.89 1tth h ASP 100 Ca -0.44 0.00 0.15 0.00 0.02 0.00 0.00 57.03 56.76 1tth h ASP 100 Cb 1.25 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.73 1tth h ASP 100 CO 0.80 0.18 0.44 0.00 -1.72 0.00 0.00 179.24 178.93 1tth s ALA 101 N -3.23 -1.55 -0.11 3.45 0.00 -1.25 -4.53 121.76 114.54 1tth s ALA 101 Ca -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.94 1tth s ALA 101 Cb 0.09 0.69 0.03 0.00 0.00 0.00 0.00 23.12 23.93 1tth s ALA 101 CO 0.79 -1.04 -0.02 0.42 0.00 0.00 0.00 175.76 175.91 1tth s ILE 102 N -3.32 0.61 -0.28 0.00 1.01 0.34 -2.59 121.20 116.98 1tth s ILE 102 Ca 0.13 -0.13 -0.14 0.00 0.00 0.00 0.00 60.65 60.51 1tth s ILE 102 Cb -0.02 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.62 1tth s ILE 102 CO 0.04 0.21 0.31 -0.69 0.00 0.00 0.00 174.94 174.81 1tth s VAL 103 N 1.87 5.22 -0.06 2.92 1.01 0.48 0.59 120.40 132.42 1tth s VAL 103 Ca 0.04 0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.42 1tth s VAL 103 Cb -0.13 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.61 1tth s VAL 103 CO -0.07 0.17 -0.10 -0.32 0.00 0.00 0.00 175.10 174.78 1tth s MET 104 N 1.96 1.50 -0.09 2.72 1.75 -0.44 -1.25 119.30 125.45 1tth s MET 104 Ca 0.12 -0.33 0.04 0.00 -1.25 0.00 0.00 55.69 54.27 1tth s MET 104 Cb -0.16 -1.30 -0.00 0.00 2.84 0.00 0.00 34.83 36.21 1tth s MET 104 CO 0.10 -0.02 -0.23 0.50 -0.65 0.00 0.00 175.02 174.73 1tth s ARG 105 N 0.80 2.98 -0.04 4.11 3.52 -0.94 0.72 118.95 130.09 1tth s ARG 105 Ca -0.12 -0.86 -0.04 0.00 -0.13 0.00 0.00 55.73 54.57 1tth s ARG 105 Cb -0.15 -2.31 0.01 0.00 -1.56 0.00 0.00 34.95 30.94 1tth s ARG 105 CO 0.02 0.23 0.12 -1.58 -0.81 0.00 0.00 175.30 173.28 1tth s HIS 106 N 0.22 -0.12 0.33 5.12 2.46 0.11 0.02 115.29 123.44 1tth s HIS 106 Ca -0.15 0.30 0.27 0.00 0.47 0.00 0.00 55.06 55.95 1tth s HIS 106 Cb -0.17 0.04 1.31 0.00 -0.13 0.00 0.00 32.58 33.63 1tth s HIS 106 CO 0.07 -0.08 2.00 -1.00 -2.47 0.00 0.00 174.74 173.27 1tth h PRO 107 N 5.85 0.00 -6.05 2.88 0.13 -1.82 0.35 132.00 133.33 1tth h PRO 107 Ca -0.25 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.31 1tth h PRO 107 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1tth h PRO 107 CO 0.43 0.15 -0.44 -0.65 -0.23 0.00 0.00 178.00 177.26 1tth s GLN 108 N -4.02 3.47 -0.02 0.86 -0.21 -1.26 -3.59 119.66 114.89 1tth s GLN 108 Ca -0.02 -0.47 -0.30 0.00 0.02 0.00 0.00 55.36 54.60 1tth s GLN 108 Cb 0.12 -2.95 -0.03 0.00 1.00 0.00 0.00 33.01 31.15 1tth s GLN 108 CO 0.60 0.52 1.08 -1.21 -2.12 0.00 0.00 175.29 174.16 1tth s GLU 109 N -3.01 4.46 0.00 2.91 8.01 -1.26 -3.01 118.70 126.80 1tth s GLU 109 Ca 0.36 1.55 0.00 0.00 0.01 0.00 0.00 54.97 56.89 1tth s GLU 109 Cb -0.12 -3.47 0.00 0.00 -4.31 0.00 0.00 34.13 26.24 1tth s GLU 109 CO 0.28 -0.23 0.00 0.41 0.01 0.00 0.00 175.26 175.73 1tth n GLY 110 N 3.11 0.52 0.37 -1.39 0.00 -1.26 -4.95 105.19 101.58 1tth n GLY 110 Ca 0.08 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.19 1tth n GLY 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tth h ALA 111 N 0.00 1.61 -0.08 4.61 0.00 -1.89 -2.11 119.26 121.39 1tth h ALA 111 Ca 0.00 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1tth h ALA 111 Cb 0.00 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.54 1tth h ALA 111 CO 0.00 0.15 -0.48 0.00 0.00 0.00 0.00 179.25 178.92 1tth h ALA 112 N 1.56 -0.75 -0.00 0.00 0.00 -1.92 -2.34 119.26 115.80 1tth h ALA 112 Ca 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1tth h ALA 112 Cb 0.55 0.87 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1tth h ALA 112 CO -0.25 -1.01 -0.01 -0.09 0.00 0.00 0.00 179.25 177.89 1tth h ARG 113 N -0.57 -0.02 -0.41 0.00 9.65 -1.80 -2.80 114.38 118.43 1tth h ARG 113 Ca 0.05 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.96 1tth h ARG 113 Cb 0.67 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.23 1tth h ARG 113 CO -0.39 -0.01 0.27 1.25 2.80 0.00 0.00 179.97 183.89 1tth h LEU 114 N -0.02 0.37 -0.23 3.80 6.46 -1.34 -2.25 115.31 122.09 1tth h LEU 114 Ca 0.01 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1tth h LEU 114 Cb 0.03 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 39.86 1tth h LEU 114 CO -0.01 0.25 0.15 0.00 -0.62 0.00 0.00 178.44 178.21 1tth h ALA 115 N 1.77 0.30 -0.85 1.25 0.00 -1.14 -2.12 119.26 118.46 1tth h ALA 115 Ca 0.17 -0.03 0.21 0.00 0.00 0.00 0.00 54.91 55.26 1tth h ALA 115 Cb 0.13 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1tth h ALA 115 CO -0.04 -0.22 0.58 1.79 0.00 0.00 0.00 179.25 181.36 1tth h THR 116 N 0.30 0.65 0.00 0.00 1.35 -1.39 0.98 112.91 114.81 1tth h THR 116 Ca 0.08 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1tth h THR 116 Cb -0.01 0.39 0.00 0.00 -1.73 0.00 0.00 68.15 66.80 1tth h THR 116 CO -0.02 0.04 0.00 -0.62 -0.25 0.00 0.00 175.52 174.68 1tth n GLU 117 N -4.42 0.48 0.00 4.72 1.02 -0.80 -3.38 120.64 118.25 1tth n GLU 117 Ca 0.18 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 1tth n GLU 117 Cb 0.75 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 1tth n GLU 117 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1tth n PHE 118 N -1.14 0.00 1.50 -0.32 3.72 0.31 -4.78 117.46 116.76 1tth n PHE 118 Ca 0.13 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.65 1tth n PHE 118 Cb 0.12 0.00 0.52 0.00 -0.94 0.00 0.00 39.48 39.17 1tth n PHE 118 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1tth n SER 119 N -0.39 1.25 0.00 4.37 3.41 0.39 -4.04 113.62 118.61 1tth n SER 119 Ca 0.00 -1.52 0.00 0.00 -0.26 0.00 0.00 58.87 57.09 1tth n SER 119 Cb 0.01 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 1tth n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tth n GLY 120 N 1.10 2.88 0.00 5.00 0.00 -1.26 -1.39 105.19 111.52 1tth n GLY 120 Ca 0.18 -0.37 0.02 0.00 0.00 0.00 0.00 46.02 45.85 1tth n GLY 120 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1tth n ASN 121 N 0.75 0.00 -4.60 1.61 6.94 -1.26 -4.74 115.26 113.96 1tth n ASN 121 Ca 0.00 -1.54 -0.41 0.00 -0.02 0.00 0.00 54.58 52.61 1tth n ASN 121 Cb 0.00 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.36 1tth n ASN 121 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1tth s VAL 122 N -2.00 4.91 0.47 3.53 1.01 -0.49 -5.02 120.40 122.82 1tth s VAL 122 Ca 0.06 0.94 -0.23 0.00 0.00 0.00 0.00 61.98 62.74 1tth s VAL 122 Cb 0.03 -4.02 -0.07 0.00 0.00 0.00 0.00 36.38 32.31 1tth s VAL 122 CO 0.04 -0.15 1.25 -2.16 0.00 0.00 0.00 175.10 174.08 1tth s PRO 123 N 2.67 3.62 -0.04 2.72 0.04 -1.26 -4.76 135.00 137.98 1tth s PRO 123 Ca 0.27 1.98 0.06 0.00 0.04 0.00 0.00 61.00 63.35 1tth s PRO 123 Cb -0.15 -2.43 -0.02 0.00 0.04 0.00 0.00 34.50 31.94 1tth s PRO 123 CO 0.12 -0.73 -0.23 0.08 0.04 0.00 0.00 177.00 176.27 1tth s VAL 124 N -1.42 2.24 -0.13 -0.36 1.01 -1.26 -0.50 120.40 119.98 1tth s VAL 124 Ca 0.65 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1tth s VAL 124 Cb -0.34 -1.81 0.02 0.00 0.00 0.00 0.00 36.38 34.25 1tth s VAL 124 CO 0.41 0.58 -0.12 -0.76 0.00 0.00 0.00 175.10 175.21 1tth s LEU 125 N -0.45 1.54 -0.68 3.92 1.02 0.20 -2.12 118.68 122.11 1tth s LEU 125 Ca 0.05 -0.41 -0.27 0.00 0.02 0.00 0.00 54.13 53.52 1tth s LEU 125 Cb -0.12 -1.04 0.01 0.00 0.02 0.00 0.00 46.19 45.06 1tth s LEU 125 CO 0.01 -0.06 1.50 0.21 0.02 0.00 0.00 176.35 178.03 1tth s ASN 126 N 1.42 5.83 0.00 2.29 3.84 0.35 -1.33 114.94 127.34 1tth s ASN 126 Ca 0.02 -0.12 0.11 0.00 0.21 0.00 0.00 52.86 53.08 1tth s ASN 126 Cb -0.13 -2.55 0.51 0.00 -0.55 0.00 0.00 41.25 38.53 1tth s ASN 126 CO -0.08 -2.03 1.35 0.00 -2.79 0.00 0.00 177.10 173.55 1tth n ALA 127 N 10.63 2.53 0.00 1.71 0.00 0.22 -4.19 120.51 131.41 1tth n ALA 127 Ca 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1tth n ALA 127 Cb 0.50 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.85 1tth n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1tth n GLY 128 N 0.78 3.32 3.07 0.00 0.00 -1.21 -4.71 105.19 106.45 1tth n GLY 128 Ca 0.09 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 1tth n GLY 128 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1tth s ASP 129 N 0.00 5.02 0.91 1.61 -4.77 -1.13 0.06 116.67 118.38 1tth s ASP 129 Ca 0.00 -2.27 0.00 0.00 -3.30 0.00 0.00 52.55 46.98 1tth s ASP 129 Cb 0.00 -1.76 0.00 0.00 -1.09 0.00 0.00 42.92 40.07 1tth s ASP 129 CO 0.00 -0.44 0.00 0.61 0.70 0.00 0.00 175.17 176.04 1tth n GLY 130 N 4.21 1.96 1.65 2.12 0.00 0.12 -2.06 105.19 113.19 1tth n GLY 130 Ca 0.02 -0.47 0.07 0.00 0.00 0.00 0.00 46.02 45.63 1tth n GLY 130 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1tth n SER 131 N -1.14 4.91 0.00 1.61 3.41 -1.26 -4.65 113.62 116.50 1tth n SER 131 Ca 0.00 -2.66 0.00 0.00 -0.26 0.00 0.00 58.87 55.95 1tth n SER 131 Cb 0.00 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 1tth n SER 131 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1tth n ASN 132 N 0.76 0.00 -4.19 4.04 5.15 -0.87 -3.81 115.26 116.33 1tth n ASN 132 Ca 0.24 0.08 -0.26 0.00 -0.60 0.00 0.00 54.58 54.04 1tth n ASN 132 Cb 0.99 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 40.09 1tth n ASN 132 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1tth s GLN 133 N -0.16 1.60 -0.53 1.20 -1.52 -1.26 -4.59 119.66 114.40 1tth s GLN 133 Ca 0.00 -0.69 0.07 0.00 -1.95 0.00 0.00 55.36 52.79 1tth s GLN 133 Cb 0.00 -1.53 0.25 0.00 -0.22 0.00 0.00 33.01 31.51 1tth s GLN 133 CO 0.00 0.40 0.65 1.58 -0.25 0.00 0.00 175.29 177.67 1tth n HIS 134 N 2.66 1.96 -0.07 0.91 -0.00 -1.23 -2.82 115.22 116.63 1tth n HIS 134 Ca -0.15 -3.91 -0.12 0.00 0.46 0.00 0.00 57.72 54.00 1tth n HIS 134 Cb 0.53 -0.47 -0.06 0.00 -0.12 0.00 0.00 29.99 29.88 1tth n HIS 134 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1tth h PRO 135 N 4.09 0.38 -0.13 1.57 0.11 -1.83 -2.20 132.00 133.99 1tth h PRO 135 Ca 0.14 -0.15 0.04 0.00 0.11 0.00 0.00 66.00 66.14 1tth h PRO 135 Cb 0.75 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.84 1tth h PRO 135 CO 0.68 0.64 0.10 1.79 -0.21 0.00 0.00 178.00 181.00 1tth h THR 136 N 0.09 0.85 0.62 -1.15 1.35 -1.93 -1.68 112.91 111.06 1tth h THR 136 Ca 0.05 0.00 -0.03 0.00 -0.55 0.00 0.00 66.41 65.88 1tth h THR 136 Cb 0.50 0.93 0.01 0.00 -1.73 0.00 0.00 68.15 67.86 1tth h THR 136 CO 0.02 0.00 -0.30 -0.61 -0.25 0.00 0.00 175.52 174.38 1tth h GLN 137 N 0.00 -0.80 -1.09 4.72 5.75 -1.76 -2.80 115.11 119.13 1tth h GLN 137 Ca 0.06 0.05 0.31 0.00 -0.15 0.00 0.00 58.65 58.92 1tth h GLN 137 Cb 0.26 0.18 -0.05 0.00 1.07 0.00 0.00 27.48 28.94 1tth h GLN 137 CO -0.00 -0.50 0.77 1.15 -2.65 0.00 0.00 178.83 177.60 1tth h THR 138 N -0.96 0.46 0.02 2.39 2.02 -1.04 -0.46 112.91 115.35 1tth h THR 138 Ca -0.09 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 1tth h THR 138 Cb 0.68 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1tth h THR 138 CO 0.14 0.01 -0.01 -0.07 0.37 0.00 0.00 175.52 175.96 1tth h LEU 139 N 0.08 -0.03 -1.89 2.58 3.38 -1.18 0.20 115.31 118.45 1tth h LEU 139 Ca 0.54 -0.62 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 1tth h LEU 139 Cb 1.98 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.74 1tth h LEU 139 CO -0.07 0.63 -0.12 0.17 0.09 0.00 0.00 178.44 179.14 1tth h LEU 140 N -0.71 0.00 0.06 1.67 8.10 -1.26 -1.36 115.31 121.81 1tth h LEU 140 Ca -0.00 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.98 1tth h LEU 140 Cb 0.65 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.87 1tth h LEU 140 CO 0.01 0.12 -0.03 0.44 -4.11 0.00 0.00 178.44 174.87 1tth h ASP 141 N 0.00 -0.07 0.02 0.17 3.32 -0.91 0.11 116.42 119.07 1tth h ASP 141 Ca -0.00 -0.43 0.03 0.00 0.02 0.00 0.00 57.03 56.64 1tth h ASP 141 Cb 0.26 0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.78 1tth h ASP 141 CO 0.02 0.42 -0.45 -0.07 -1.72 0.00 0.00 179.24 177.43 1tth h LEU 142 N -0.57 -1.38 -0.81 1.55 3.38 -0.24 0.86 115.31 118.10 1tth h LEU 142 Ca -0.01 0.16 0.15 0.00 0.09 0.00 0.00 57.88 58.27 1tth h LEU 142 Cb 0.49 0.53 -0.15 0.00 0.09 0.00 0.00 40.66 41.63 1tth h LEU 142 CO 0.01 -0.48 -0.30 0.15 0.09 0.00 0.00 178.44 177.91 1tth h PHE 143 N -0.62 -0.77 -0.49 1.13 3.57 -1.31 0.46 116.94 118.91 1tth h PHE 143 Ca 0.03 0.08 -0.06 0.00 3.53 0.00 0.00 57.97 61.56 1tth h PHE 143 Cb 0.68 0.46 -0.02 0.00 2.79 0.00 0.00 35.95 39.86 1tth h PHE 143 CO -0.44 -0.38 0.08 1.15 -2.23 0.00 0.00 178.31 176.49 1tth h THR 144 N -0.05 1.25 0.10 4.41 2.02 0.59 -0.65 112.91 120.58 1tth h THR 144 Ca 0.34 -0.93 -0.00 0.00 0.77 0.00 0.00 66.41 66.58 1tth h THR 144 Cb 0.59 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1tth h THR 144 CO -0.84 0.33 -0.05 0.40 0.37 0.00 0.00 175.52 175.73 1tth h ILE 145 N 0.69 0.94 -0.20 3.11 5.03 0.23 -2.87 117.51 124.43 1tth h ILE 145 Ca 0.15 -0.11 0.05 0.00 -0.12 0.00 0.00 64.86 64.82 1tth h ILE 145 Cb 0.40 1.01 -0.07 0.00 -3.03 0.00 0.00 36.82 35.12 1tth h ILE 145 CO 0.01 0.03 -0.47 -0.61 -0.68 0.00 0.00 178.15 176.43 1tth h GLN 146 N -0.18 -0.47 -1.16 2.37 4.15 -0.02 -1.41 115.11 118.39 1tth h GLN 146 Ca -0.01 0.03 0.33 0.00 0.77 0.00 0.00 58.65 59.76 1tth h GLN 146 Cb 0.15 0.11 -0.08 0.00 0.21 0.00 0.00 27.48 27.86 1tth h GLN 146 CO 0.02 -0.31 0.78 0.93 -1.93 0.00 0.00 178.83 178.32 1tth h GLU 147 N -0.48 0.19 0.01 1.69 5.08 -1.03 1.19 114.58 121.22 1tth h GLU 147 Ca 0.08 -0.01 -0.33 0.00 -1.00 0.00 0.00 59.36 58.10 1tth h GLU 147 Cb 0.64 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.79 1tth h GLU 147 CO -0.46 0.12 -2.00 0.25 -1.00 0.00 0.00 179.01 175.92 1tth n THR 148 N -4.44 1.54 -0.08 1.13 -2.24 -0.79 -4.55 114.28 104.85 1tth n THR 148 Ca 0.27 -0.80 -0.10 0.00 -2.27 0.00 0.00 64.05 61.15 1tth n THR 148 Cb 1.12 -0.90 -0.11 0.00 -2.10 0.00 0.00 70.33 68.34 1tth n THR 148 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1tth n GLN 149 N -2.98 1.08 -0.84 -0.78 1.13 -0.60 -5.02 117.38 109.36 1tth n GLN 149 Ca -0.25 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 54.85 1tth n GLN 149 Cb 1.09 -1.39 0.00 0.00 0.11 0.00 0.00 30.24 30.05 1tth n GLN 149 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1tth n GLY 150 N 2.28 0.54 3.38 1.08 0.00 0.41 -5.00 105.19 107.86 1tth n GLY 150 Ca -0.29 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.24 1tth n GLY 150 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1tth n ARG 151 N -2.84 0.92 -0.69 1.61 1.85 -1.26 -5.05 116.66 111.21 1tth n ARG 151 Ca 0.00 -2.25 -0.00 0.00 -1.00 0.00 0.00 57.85 54.60 1tth n ARG 151 Cb 0.00 2.56 -0.00 0.00 -1.05 0.00 0.00 32.46 33.97 1tth n ARG 151 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1tth n LEU 152 N 0.00 0.06 -4.05 2.89 4.77 -1.26 -4.14 117.00 115.27 1tth n LEU 152 Ca -0.05 -1.23 -0.12 0.00 -0.03 0.00 0.00 56.01 54.58 1tth n LEU 152 Cb 0.55 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.53 1tth n LEU 152 CO 0.26 0.61 -0.39 -1.81 -1.33 0.00 0.00 177.39 174.73 1tth s ASP 153 N -0.86 0.73 -1.68 -1.43 1.01 -1.26 -4.37 116.67 108.82 1tth s ASP 153 Ca 0.05 -0.57 -0.02 0.00 0.71 0.00 0.00 52.55 52.72 1tth s ASP 153 Cb 0.06 0.06 0.00 0.00 1.01 0.00 0.00 42.92 44.05 1tth s ASP 153 CO -0.02 -0.25 0.27 0.59 0.21 0.00 0.00 175.17 175.97 1tth n ASN 154 N 1.39 -5.98 -4.91 0.27 4.13 0.41 -4.87 115.26 105.70 1tth n ASN 154 Ca -0.22 -0.14 -0.28 0.00 1.68 0.00 0.00 54.58 55.62 1tth n ASN 154 Cb 0.55 -4.92 -0.02 0.00 -1.54 0.00 0.00 39.78 33.85 1tth n ASN 154 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1tth s LEU 155 N -6.33 3.94 -0.53 3.41 1.43 -1.24 -4.89 118.68 114.47 1tth s LEU 155 Ca 0.14 0.77 -0.02 0.00 -1.03 0.00 0.00 54.13 53.99 1tth s LEU 155 Cb -0.06 -3.63 0.14 0.00 0.03 0.00 0.00 46.19 42.67 1tth s LEU 155 CO 0.17 -0.31 0.32 -1.00 0.23 0.00 0.00 176.35 175.76 1tth s HIS 156 N -2.28 3.46 -0.22 0.29 3.76 -1.26 0.16 115.29 119.20 1tth s HIS 156 Ca 0.45 -2.69 -0.07 0.00 -0.15 0.00 0.00 55.06 52.60 1tth s HIS 156 Cb -0.10 -3.15 -0.03 0.00 1.11 0.00 0.00 32.58 30.41 1tth s HIS 156 CO 0.34 -0.88 0.05 0.08 -0.85 0.00 0.00 174.74 173.48 1tth s VAL 157 N 0.36 4.35 -0.04 -0.90 1.01 0.19 0.19 120.40 125.55 1tth s VAL 157 Ca 0.14 -0.17 -0.14 0.00 0.00 0.00 0.00 61.98 61.81 1tth s VAL 157 Cb -0.22 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 33.11 1tth s VAL 157 CO -0.04 0.39 0.37 0.00 0.00 0.00 0.00 175.10 175.82 1tth s ALA 158 N 1.15 3.69 -0.40 5.51 0.00 0.33 -2.13 121.76 129.90 1tth s ALA 158 Ca 0.04 -0.29 0.02 0.00 0.00 0.00 0.00 51.96 51.73 1tth s ALA 158 Cb -0.14 -2.36 0.12 0.00 0.00 0.00 0.00 23.12 20.74 1tth s ALA 158 CO 0.03 0.41 0.17 -1.64 0.00 0.00 0.00 175.76 174.73 1tth s MET 159 N -0.74 1.34 0.06 0.00 -1.94 0.25 0.39 119.30 118.66 1tth s MET 159 Ca 0.22 -1.89 -0.04 0.00 -1.71 0.00 0.00 55.69 52.27 1tth s MET 159 Cb -0.16 -2.65 -0.05 0.00 2.01 0.00 0.00 34.83 33.98 1tth s MET 159 CO 0.11 -1.06 0.28 0.08 -0.01 0.00 0.00 175.02 174.42 1tth s VAL 160 N 0.64 5.29 0.00 -6.03 1.01 -0.59 -1.34 120.40 119.38 1tth s VAL 160 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1tth s VAL 160 Cb -0.22 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1tth s VAL 160 CO -0.08 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.83 1tth n GLY 161 N 0.56 -0.69 3.59 4.51 0.00 0.38 -1.75 105.19 111.80 1tth n GLY 161 Ca -0.07 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 1tth n GLY 161 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1tth s ASP 162 N -4.00 5.36 -0.04 1.61 -1.08 -1.26 -4.45 116.67 112.81 1tth s ASP 162 Ca 0.00 1.59 0.20 0.00 -0.52 0.00 0.00 52.55 53.82 1tth s ASP 162 Cb 0.00 -2.51 -0.30 0.00 -1.46 0.00 0.00 42.92 38.65 1tth s ASP 162 CO 0.00 -2.08 0.41 0.18 0.52 0.00 0.00 175.17 174.20 1tth n LEU 163 N 12.16 0.00 -0.07 -1.34 4.77 0.17 -3.43 117.00 129.26 1tth n LEU 163 Ca 0.29 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 56.13 1tth n LEU 163 Cb 0.47 0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.53 1tth n LEU 163 CO 0.67 0.02 0.53 0.50 -1.33 0.00 0.00 177.39 177.78 1tth h LYS 164 N 0.00 0.63 -0.00 3.23 3.64 -0.84 -3.28 116.57 119.94 1tth h LYS 164 Ca -0.03 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 1tth h LYS 164 Cb 0.97 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 1tth h LYS 164 CO 0.00 0.97 -0.98 0.66 -2.27 0.00 0.00 179.45 177.84 1tth n TYR 165 N -4.29 0.00 -1.91 1.91 4.01 -1.26 -4.83 117.16 110.79 1tth n TYR 165 Ca -0.05 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.35 1tth n TYR 165 Cb 0.49 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.48 1tth n TYR 165 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1tth s GLY 166 N -2.99 -0.01 0.38 2.72 0.00 -1.22 -4.52 107.32 101.68 1tth s GLY 166 Ca 0.08 -0.67 0.14 0.00 0.00 0.00 0.00 44.72 44.27 1tth s GLY 166 CO 0.86 3.64 1.84 0.07 0.00 0.00 0.00 173.10 179.51 1tth h ARG 167 N 15.17 0.00 0.00 2.90 0.11 -1.84 -2.81 114.38 127.91 1tth h ARG 167 Ca -0.18 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 59.85 1tth h ARG 167 Cb 1.15 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.22 1tth h ARG 167 CO 1.19 0.36 -0.26 1.79 0.10 0.00 0.00 179.97 183.14 1tth h THR 168 N 0.00 1.10 0.00 0.08 1.35 -1.88 -2.79 112.91 110.78 1tth h THR 168 Ca -0.00 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 1tth h THR 168 Cb 0.65 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 1tth h THR 168 CO 0.05 0.26 -1.67 1.33 -0.25 0.00 0.00 175.52 175.23 1tth n VAL 169 N -4.10 0.08 0.11 6.82 0.24 -1.20 -2.23 118.33 118.05 1tth n VAL 169 Ca -0.02 -0.41 -0.13 0.00 -2.04 0.00 0.00 64.34 61.73 1tth n VAL 169 Cb 0.32 0.12 -0.08 0.00 -1.47 0.00 0.00 33.84 32.74 1tth n VAL 169 CO 0.00 0.00 0.00 0.45 -2.14 0.00 0.00 176.83 175.14 1tth h HIS 170 N 0.00 -0.19 -0.56 6.34 3.86 -1.28 -2.07 115.15 121.25 1tth h HIS 170 Ca 0.00 -0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.10 1tth h HIS 170 Cb 0.91 0.06 -0.02 0.00 1.06 0.00 0.00 27.41 29.42 1tth h HIS 170 CO 0.00 -0.09 -0.05 0.77 0.86 0.00 0.00 177.93 179.42 1tth h SER 171 N -0.24 1.01 0.61 2.45 0.02 -1.62 -3.04 113.55 112.74 1tth h SER 171 Ca -0.02 -0.30 -0.09 0.00 -0.84 0.00 0.00 61.79 60.53 1tth h SER 171 Cb 0.18 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1tth h SER 171 CO 0.03 1.09 -0.45 0.25 -1.14 0.00 0.00 176.83 176.61 1tth h LEU 172 N 0.92 0.00 0.18 5.07 5.85 -1.43 -3.03 115.31 122.87 1tth h LEU 172 Ca 0.16 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.59 1tth h LEU 172 Cb 0.60 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.67 1tth h LEU 172 CO 0.04 0.45 -1.24 0.74 -0.34 0.00 0.00 178.44 178.09 1tth h THR 173 N 0.00 1.33 -0.30 1.05 2.02 -1.26 -2.10 112.91 113.64 1tth h THR 173 Ca -0.00 -2.55 -0.05 0.00 0.77 0.00 0.00 66.41 64.57 1tth h THR 173 Cb 0.87 2.93 -0.02 0.00 -1.74 0.00 0.00 68.15 70.20 1tth h THR 173 CO 0.06 0.76 -0.05 1.56 0.37 0.00 0.00 175.52 178.22 1tth h GLN 174 N 0.09 0.48 -0.14 6.66 4.20 -1.60 -1.68 115.11 123.11 1tth h GLN 174 Ca -0.21 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.38 1tth h GLN 174 Cb 1.95 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.66 1tth h GLN 174 CO 0.23 0.54 0.02 0.00 -0.67 0.00 0.00 178.83 178.96 1tth h ALA 175 N 1.50 0.19 0.00 3.87 0.00 -1.53 -2.98 119.26 120.31 1tth h ALA 175 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1tth h ALA 175 Cb 0.37 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1tth h ALA 175 CO 0.02 -0.14 0.00 -0.07 0.00 0.00 0.00 179.25 179.06 1tth h LEU 176 N 0.01 0.00 -0.20 0.00 3.38 -1.15 -2.47 115.31 114.89 1tth h LEU 176 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1tth h LEU 176 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1tth h LEU 176 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 1tth n ALA 177 N -1.89 1.86 0.87 1.53 0.00 -0.65 -1.70 120.51 120.52 1tth n ALA 177 Ca 0.03 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.58 1tth n ALA 177 Cb 0.33 -1.35 0.44 0.00 0.00 0.00 0.00 19.45 18.87 1tth n ALA 177 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1tth n LYS 178 N -1.80 0.09 -2.88 0.00 5.02 -0.93 -4.87 118.16 112.80 1tth n LYS 178 Ca 0.04 0.06 -0.18 0.00 -2.02 0.00 0.00 58.31 56.20 1tth n LYS 178 Cb 0.25 -1.59 0.06 0.00 -0.02 0.00 0.00 35.03 33.73 1tth n LYS 178 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1tth n PHE 179 N -1.74 -2.24 -4.16 2.13 3.01 -0.69 -4.85 117.46 108.91 1tth n PHE 179 Ca 0.06 -1.98 -0.33 0.00 1.01 0.00 0.00 57.45 56.20 1tth n PHE 179 Cb 0.37 -0.51 -0.08 0.00 -0.01 0.00 0.00 39.48 39.26 1tth n PHE 179 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1tth s ASP 180 N -4.32 5.55 -1.56 4.37 1.01 -1.26 -4.59 116.67 115.86 1tth s ASP 180 Ca 0.55 0.14 0.00 0.00 0.71 0.00 0.00 52.55 53.95 1tth s ASP 180 Cb -0.04 -1.58 0.00 0.00 1.01 0.00 0.00 42.92 42.31 1tth s ASP 180 CO 0.35 0.30 0.00 0.61 0.21 0.00 0.00 175.17 176.64 1tth n GLY 181 N 1.44 0.00 3.80 0.21 0.00 -1.26 0.16 105.19 109.54 1tth n GLY 181 Ca -0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 1tth n GLY 181 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1tth s ASN 182 N -2.14 6.67 -0.20 1.61 0.01 -1.26 -2.45 114.94 117.19 1tth s ASN 182 Ca 0.00 1.87 -0.00 0.00 -0.71 0.00 0.00 52.86 54.02 1tth s ASN 182 Cb 0.00 -2.56 0.02 0.00 0.41 0.00 0.00 41.25 39.12 1tth s ASN 182 CO 0.00 -0.55 -0.15 -0.60 -1.51 0.00 0.00 177.10 174.29 1tth s ARG 183 N -2.99 3.02 -0.18 -0.60 3.00 0.12 -4.34 118.95 116.99 1tth s ARG 183 Ca 0.63 -0.82 -0.05 0.00 -1.00 0.00 0.00 55.73 54.48 1tth s ARG 183 Cb -0.15 -2.71 -0.03 0.00 0.00 0.00 0.00 34.95 32.06 1tth s ARG 183 CO 0.20 -0.24 0.01 -0.06 0.00 0.00 0.00 175.30 175.20 1tth s PHE 184 N 1.32 3.10 -0.19 5.12 0.08 -0.72 -0.64 117.98 126.06 1tth s PHE 184 Ca 0.04 -0.21 -0.04 0.00 0.12 0.00 0.00 56.93 56.85 1tth s PHE 184 Cb -0.14 -2.03 -0.02 0.00 -0.57 0.00 0.00 43.02 40.26 1tth s PHE 184 CO -0.10 -0.02 -0.04 0.71 -0.10 0.00 0.00 175.22 175.67 1tth s TYR 185 N 0.54 2.97 -0.31 0.36 2.02 -0.91 0.91 117.35 122.93 1tth s TYR 185 Ca -0.00 -0.67 -0.06 0.00 -0.37 0.00 0.00 57.07 55.97 1tth s TYR 185 Cb -0.14 -2.04 0.03 0.00 -0.40 0.00 0.00 41.96 39.41 1tth s TYR 185 CO 0.02 -0.34 0.07 -0.06 -1.57 0.00 0.00 175.55 173.67 1tth s PHE 186 N 1.03 3.19 -0.33 2.71 0.08 0.15 -0.58 117.98 124.23 1tth s PHE 186 Ca 0.01 -1.30 -0.02 0.00 0.12 0.00 0.00 56.93 55.74 1tth s PHE 186 Cb -0.15 -2.23 0.07 0.00 -0.57 0.00 0.00 43.02 40.14 1tth s PHE 186 CO 0.00 -0.67 0.05 0.42 -0.10 0.00 0.00 175.22 174.92 1tth s ILE 187 N 1.42 3.01 -0.00 0.64 1.01 -0.45 -2.40 121.20 124.42 1tth s ILE 187 Ca -0.00 -1.60 -0.17 0.00 0.00 0.00 0.00 60.65 58.88 1tth s ILE 187 Cb -0.18 -2.84 0.03 0.00 0.01 0.00 0.00 42.46 39.48 1tth s ILE 187 CO 0.01 -0.27 0.37 0.00 0.00 0.00 0.00 174.94 175.06 1tth s ALA 188 N 1.21 -0.93 0.42 9.38 0.00 -1.26 -0.47 121.76 130.10 1tth s ALA 188 Ca -0.01 0.40 -0.26 0.00 0.00 0.00 0.00 51.96 52.09 1tth s ALA 188 Cb -0.20 0.15 -0.09 0.00 0.00 0.00 0.00 23.12 22.97 1tth s ALA 188 CO -0.02 -0.33 1.38 -2.14 0.00 0.00 0.00 175.76 174.65 1tth s PRO 189 N -1.67 3.90 0.31 0.00 0.02 -1.26 -4.77 135.00 131.52 1tth s PRO 189 Ca -0.11 2.32 0.07 0.00 0.02 0.00 0.00 61.00 63.30 1tth s PRO 189 Cb -0.03 -2.76 0.84 0.00 0.02 0.00 0.00 34.50 32.57 1tth s PRO 189 CO 0.03 -0.61 1.67 -0.44 -0.33 0.00 0.00 177.00 177.32 1tth h ASP 190 N 2.62 0.32 -0.02 2.53 3.32 -1.99 0.17 116.42 123.37 1tth h ASP 190 Ca -0.50 0.18 0.01 0.00 0.02 0.00 0.00 57.03 56.73 1tth h ASP 190 Cb 1.25 0.17 -0.00 0.00 0.22 0.00 0.00 39.33 40.97 1tth h ASP 190 CO 0.62 -0.08 0.09 0.00 -1.72 0.00 0.00 179.24 178.15 1tth h ALA 191 N 1.78 1.21 -0.34 3.45 0.00 -2.00 -3.00 119.26 120.35 1tth h ALA 191 Ca 0.62 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 55.26 1tth h ALA 191 Cb 1.27 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.76 1tth h ALA 191 CO -0.59 -0.10 -0.85 1.28 0.00 0.00 0.00 179.25 179.00 1tth n LEU 192 N -3.20 2.84 -4.87 0.00 4.77 0.60 -4.91 117.00 112.23 1tth n LEU 192 Ca -0.02 -3.61 -0.29 0.00 -0.03 0.00 0.00 56.01 52.05 1tth n LEU 192 Cb 0.16 -0.14 0.10 0.00 -2.33 0.00 0.00 43.42 41.21 1tth n LEU 192 CO 0.20 1.37 0.77 0.00 -1.33 0.00 0.00 177.39 178.40 1tth s ALA 193 N -2.87 2.42 0.01 -1.18 0.00 -1.14 -0.66 121.76 118.35 1tth s ALA 193 Ca 0.39 -0.60 -0.34 0.00 0.00 0.00 0.00 51.96 51.41 1tth s ALA 193 Cb 0.38 -2.98 -0.13 0.00 0.00 0.00 0.00 23.12 20.38 1tth s ALA 193 CO -0.05 -1.82 1.75 -0.12 0.00 0.00 0.00 175.76 175.52 1tth n MET 194 N -3.43 2.12 -1.61 0.00 1.56 -1.26 -3.09 117.12 111.41 1tth n MET 194 Ca 0.08 0.77 -0.41 0.00 -0.27 0.00 0.00 57.70 57.87 1tth n MET 194 Cb 0.60 -2.58 0.02 0.00 2.15 0.00 0.00 33.22 33.41 1tth n MET 194 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 1tth n PRO 195 N 5.27 1.26 0.21 2.12 -0.02 -1.26 -4.82 135.00 137.76 1tth n PRO 195 Ca 0.20 0.46 -0.17 0.00 -2.02 0.00 0.00 63.50 61.97 1tth n PRO 195 Cb 0.29 -2.07 -0.09 0.00 -0.02 0.00 0.00 33.50 31.60 1tth n PRO 195 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 1tth h GLN 196 N 1.32 -0.83 -1.06 -0.52 5.75 -2.00 -2.43 115.11 115.33 1tth h GLN 196 Ca -0.45 0.06 0.30 0.00 -0.15 0.00 0.00 58.65 58.40 1tth h GLN 196 Cb 1.34 0.19 -0.06 0.00 1.07 0.00 0.00 27.48 30.02 1tth h GLN 196 CO 0.55 -0.56 0.74 0.10 -2.65 0.00 0.00 178.83 177.02 1tth h TYR 197 N -0.87 0.22 0.61 3.99 -0.00 -1.98 0.59 116.97 119.53 1tth h TYR 197 Ca -0.03 0.01 -0.03 0.00 -0.00 0.00 0.00 58.73 58.68 1tth h TYR 197 Cb 0.81 -0.06 0.01 0.00 -0.00 0.00 0.00 36.73 37.48 1tth h TYR 197 CO -0.34 0.02 -0.29 0.82 -0.00 0.00 0.00 178.16 178.37 1tth h ILE 198 N 0.14 0.33 -0.99 -0.90 1.08 -1.81 -2.67 117.51 112.69 1tth h ILE 198 Ca 0.54 -0.23 0.06 0.00 -0.39 0.00 0.00 64.86 64.84 1tth h ILE 198 Cb 1.86 0.41 -0.06 0.00 -3.07 0.00 0.00 36.82 35.96 1tth h ILE 198 CO -0.10 0.03 0.64 -0.07 -0.69 0.00 0.00 178.15 177.96 1tth h LEU 199 N -0.97 1.03 -1.25 1.44 3.38 0.03 -0.84 115.31 118.12 1tth h LEU 199 Ca -0.08 0.01 0.23 0.00 0.09 0.00 0.00 57.88 58.12 1tth h LEU 199 Cb 0.67 -0.22 -0.09 0.00 0.09 0.00 0.00 40.66 41.11 1tth h LEU 199 CO 0.14 0.67 0.63 0.44 0.09 0.00 0.00 178.44 180.40 1tth h ASP 200 N 1.17 0.57 -0.13 -0.43 3.32 0.02 0.12 116.42 121.05 1tth h ASP 200 Ca 0.42 0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.48 1tth h ASP 200 Cb 0.14 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 1tth h ASP 200 CO -0.16 0.17 -0.21 -0.03 -1.72 0.00 0.00 179.24 177.28 1tth h MET 201 N 0.53 0.38 -0.02 3.56 1.85 -0.81 -2.50 114.93 117.92 1tth h MET 201 Ca 0.57 -0.23 0.01 0.00 -0.61 0.00 0.00 59.70 59.44 1tth h MET 201 Cb 1.21 0.02 -0.03 0.00 0.43 0.00 0.00 31.60 33.24 1tth h MET 201 CO -0.31 0.82 -0.28 -0.07 -0.40 0.00 0.00 176.91 176.67 1tth h LEU 202 N -0.02 -0.86 -0.54 3.39 3.38 -0.40 -0.50 115.31 119.76 1tth h LEU 202 Ca 0.01 0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.16 1tth h LEU 202 Cb 0.78 0.33 -0.10 0.00 0.09 0.00 0.00 40.66 41.76 1tth h LEU 202 CO 0.05 -0.26 -0.45 0.44 0.09 0.00 0.00 178.44 178.30 1tth h ASP 203 N -0.33 -1.54 0.00 -0.43 3.32 -1.30 -0.71 116.42 115.43 1tth h ASP 203 Ca 0.01 0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.30 1tth h ASP 203 Cb 0.36 0.69 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1tth h ASP 203 CO -0.20 -0.35 0.00 1.21 -1.72 0.00 0.00 179.24 178.19 1tth n GLU 204 N -5.40 0.41 0.00 3.56 2.13 -0.94 -1.20 120.64 119.20 1tth n GLU 204 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 1tth n GLU 204 Cb 0.35 -1.24 0.00 0.00 0.27 0.00 0.00 31.44 30.82 1tth n GLU 204 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1tth n LYS 205 N -0.74 0.61 -1.95 5.31 4.81 -0.22 -4.99 118.16 120.98 1tth n LYS 205 Ca 0.05 -0.35 -0.04 0.00 -0.87 0.00 0.00 58.31 57.10 1tth n LYS 205 Cb 0.02 -0.83 -0.00 0.00 0.02 0.00 0.00 35.03 34.23 1tth n LYS 205 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1tth n GLY 206 N 0.19 0.26 3.91 3.14 0.00 -0.34 -5.05 105.19 107.29 1tth n GLY 206 Ca 0.00 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 1tth n GLY 206 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1tth s ILE 207 N -2.21 5.15 -0.45 -0.61 1.01 -0.53 -5.01 121.20 118.56 1tth s ILE 207 Ca 0.00 -0.12 -0.14 0.00 0.00 0.00 0.00 60.65 60.40 1tth s ILE 207 Cb 0.00 -3.69 0.07 0.00 0.01 0.00 0.00 42.46 38.85 1tth s ILE 207 CO 0.00 -0.12 0.34 0.00 0.00 0.00 0.00 174.94 175.16 1tth s ALA 208 N -1.83 3.47 0.41 9.38 0.00 -1.26 -4.31 121.76 127.62 1tth s ALA 208 Ca 0.41 -2.05 0.07 0.00 0.00 0.00 0.00 51.96 50.39 1tth s ALA 208 Cb -0.11 -2.92 -0.06 0.00 0.00 0.00 0.00 23.12 20.03 1tth s ALA 208 CO 0.27 -1.66 0.14 1.67 0.00 0.00 0.00 175.76 176.19 1tth s TRP 209 N 1.59 2.59 -0.21 0.00 1.48 -1.25 -1.75 118.94 121.38 1tth s TRP 209 Ca 0.04 -0.61 -0.27 0.00 -1.06 0.00 0.00 56.10 54.20 1tth s TRP 209 Cb -0.23 -1.92 0.07 0.00 -1.16 0.00 0.00 33.47 30.23 1tth s TRP 209 CO 0.06 0.25 0.72 -1.54 -4.06 0.00 0.00 176.95 172.38 1tth s SER 210 N -3.86 -0.71 0.03 -2.66 1.04 0.26 -4.91 113.70 102.89 1tth s SER 210 Ca 0.40 1.22 -0.10 0.00 0.48 0.00 0.00 55.95 57.95 1tth s SER 210 Cb 0.05 1.19 -0.05 0.00 0.10 0.00 0.00 66.02 67.31 1tth s SER 210 CO 0.21 -0.35 0.35 -0.76 0.98 0.00 0.00 173.24 173.68 1tth s LEU 211 N -0.07 4.38 -0.00 2.42 1.43 -1.26 0.34 118.68 125.92 1tth s LEU 211 Ca -0.03 0.75 0.01 0.00 -1.03 0.00 0.00 54.13 53.83 1tth s LEU 211 Cb -0.04 -2.76 -0.00 0.00 0.03 0.00 0.00 46.19 43.42 1tth s LEU 211 CO 0.03 0.24 -0.03 -1.00 0.23 0.00 0.00 176.35 175.83 1tth s HIS 212 N -1.28 0.24 -1.87 0.29 3.76 -1.01 -4.88 115.29 110.54 1tth s HIS 212 Ca 0.28 -0.06 0.04 0.00 -0.15 0.00 0.00 55.06 55.18 1tth s HIS 212 Cb -0.14 -0.15 0.14 0.00 1.11 0.00 0.00 32.58 33.53 1tth s HIS 212 CO 0.16 -0.01 1.07 -1.13 -0.85 0.00 0.00 174.74 173.98 1tth n SER 213 N 2.97 0.93 -3.56 1.40 3.41 -1.26 -4.37 113.62 113.13 1tth n SER 213 Ca -0.13 -2.02 -0.08 0.00 -0.26 0.00 0.00 58.87 56.38 1tth n SER 213 Cb 0.59 -0.15 -0.02 0.00 -0.26 0.00 0.00 64.21 64.37 1tth n SER 213 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1tth s SER 214 N -0.91 -0.35 0.03 4.04 1.04 -1.26 -5.05 113.70 111.24 1tth s SER 214 Ca 0.10 -0.12 -0.18 0.00 0.48 0.00 0.00 55.95 56.23 1tth s SER 214 Cb 0.06 0.46 -0.22 0.00 0.10 0.00 0.00 66.02 66.42 1tth s SER 214 CO 0.06 -0.78 1.15 0.40 0.98 0.00 0.00 173.24 175.06 1tth h ILE 215 N 2.00 1.39 0.00 -1.02 2.04 -1.97 -3.33 117.51 116.62 1tth h ILE 215 Ca -0.25 -2.01 0.00 0.00 1.00 0.00 0.00 64.86 63.60 1tth h ILE 215 Cb 1.25 2.43 0.00 0.00 -0.74 0.00 0.00 36.82 39.76 1tth h ILE 215 CO 0.31 0.60 0.00 1.21 0.00 0.00 0.00 178.15 180.26 1tth n GLU 216 N -4.18 0.58 0.09 2.37 2.13 -1.26 -2.60 120.64 117.77 1tth n GLU 216 Ca -0.10 0.02 -0.07 0.00 0.66 0.00 0.00 57.16 57.68 1tth n GLU 216 Cb 0.67 -1.50 -0.02 0.00 0.27 0.00 0.00 31.44 30.86 1tth n GLU 216 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1tth h GLU 217 N 0.00 0.07 -0.06 5.31 5.08 -1.99 -3.33 114.58 119.65 1tth h GLU 217 Ca 0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1tth h GLU 217 Cb 0.05 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1tth h GLU 217 CO 0.00 0.91 0.00 1.33 -1.00 0.00 0.00 179.01 180.25 1tth n VAL 218 N -3.55 0.10 -0.29 3.13 0.24 -1.07 -4.76 118.33 112.14 1tth n VAL 218 Ca -0.02 -0.55 0.03 0.00 -2.04 0.00 0.00 64.34 61.76 1tth n VAL 218 Cb 0.83 1.20 0.24 0.00 -1.47 0.00 0.00 33.84 34.64 1tth n VAL 218 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 1tth h MET 219 N 2.64 1.01 -0.36 7.34 -1.53 -1.65 0.44 114.93 122.82 1tth h MET 219 Ca 0.00 -0.06 0.00 0.00 -3.44 0.00 0.00 59.70 56.20 1tth h MET 219 Cb 0.59 -0.23 0.00 0.00 -0.55 0.00 0.00 31.60 31.41 1tth h MET 219 CO 0.00 0.67 0.00 0.00 0.14 0.00 0.00 176.91 177.72 1tth n ALA 220 N -2.40 2.45 -0.09 0.39 0.00 -1.26 -3.85 120.51 115.76 1tth n ALA 220 Ca 0.12 -0.75 -0.11 0.00 0.00 0.00 0.00 53.44 52.71 1tth n ALA 220 Cb 0.16 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 1tth n ALA 220 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1tth n GLU 221 N 0.77 0.50 -2.16 0.00 4.07 0.15 -4.53 120.64 119.44 1tth n GLU 221 Ca 0.16 0.43 -0.37 0.00 -0.06 0.00 0.00 57.16 57.32 1tth n GLU 221 Cb 0.40 -1.61 0.00 0.00 -0.06 0.00 0.00 31.44 30.17 1tth n GLU 221 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 1tth s VAL 222 N -2.46 2.91 -0.14 6.31 -7.23 -0.72 -4.80 120.40 114.27 1tth s VAL 222 Ca -0.23 0.66 -0.03 0.00 -1.81 0.00 0.00 61.98 60.57 1tth s VAL 222 Cb 0.04 -3.32 -0.24 0.00 0.56 0.00 0.00 36.38 33.42 1tth s VAL 222 CO 0.36 -0.04 0.29 0.47 -0.31 0.00 0.00 175.10 175.88 1tth n ASP 223 N -0.77 1.91 -4.02 4.85 8.00 0.50 -4.63 116.55 122.39 1tth n ASP 223 Ca 0.09 0.17 -0.29 0.00 0.71 0.00 0.00 54.79 55.47 1tth n ASP 223 Cb 0.48 -0.65 -0.17 0.00 -0.02 0.00 0.00 41.12 40.76 1tth n ASP 223 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1tth s ILE 224 N -2.55 1.44 -0.68 0.53 -1.09 -0.98 -2.50 121.20 115.38 1tth s ILE 224 Ca -0.22 -0.59 -0.12 0.00 -2.23 0.00 0.00 60.65 57.49 1tth s ILE 224 Cb 0.07 -1.35 0.18 0.00 -1.58 0.00 0.00 42.46 39.78 1tth s ILE 224 CO 0.75 0.43 0.60 -0.22 -1.23 0.00 0.00 174.94 175.27 1tth s LEU 225 N 1.22 6.24 -0.54 2.97 2.96 -1.05 0.12 118.68 130.61 1tth s LEU 225 Ca -0.02 -2.41 -0.23 0.00 -0.22 0.00 0.00 54.13 51.25 1tth s LEU 225 Cb -0.14 -2.12 0.04 0.00 0.50 0.00 0.00 46.19 44.47 1tth s LEU 225 CO -0.05 -0.62 0.88 -0.47 -1.32 0.00 0.00 176.35 174.77 1tth s TYR 226 N 0.61 2.85 0.11 5.38 5.04 0.16 -2.00 117.35 129.49 1tth s TYR 226 Ca 0.13 -0.08 -0.16 0.00 -2.44 0.00 0.00 57.07 54.52 1tth s TYR 226 Cb -0.18 -3.96 -0.07 0.00 0.35 0.00 0.00 41.96 38.10 1tth s TYR 226 CO -0.04 -1.27 0.54 -1.64 -1.34 0.00 0.00 175.55 171.79 1tth s MET 227 N 3.69 4.03 0.16 4.97 -1.94 -0.51 -1.54 119.30 128.16 1tth s MET 227 Ca 0.28 0.55 0.06 0.00 -1.71 0.00 0.00 55.69 54.87 1tth s MET 227 Cb -0.14 -3.05 -0.04 0.00 2.01 0.00 0.00 34.83 33.61 1tth s MET 227 CO 0.18 0.55 -0.13 0.95 -0.01 0.00 0.00 175.02 176.56 1tth s THR 228 N -1.32 1.42 0.18 2.05 -4.23 -0.72 -4.06 115.64 108.97 1tth s THR 228 Ca 0.34 -2.01 -0.16 0.00 -1.18 0.00 0.00 61.69 58.68 1tth s THR 228 Cb -0.16 -1.82 -0.07 0.00 1.34 0.00 0.00 72.50 71.78 1tth s THR 228 CO 0.18 -0.59 0.60 -0.60 -0.54 0.00 0.00 174.62 173.67 1tth s ARG 229 N -3.38 4.05 0.01 3.99 3.52 -1.26 -4.39 118.95 121.48 1tth s ARG 229 Ca 0.16 0.59 -0.30 0.00 -0.13 0.00 0.00 55.73 56.05 1tth s ARG 229 Cb -0.01 -2.89 -0.06 0.00 -1.56 0.00 0.00 34.95 30.43 1tth s ARG 229 CO 0.03 0.44 1.49 0.08 -0.81 0.00 0.00 175.30 176.53 1tth s VAL 230 N -1.51 3.53 -1.57 7.11 1.01 -1.26 -4.32 120.40 123.39 1tth s VAL 230 Ca 0.40 0.91 -0.11 0.00 0.00 0.00 0.00 61.98 63.18 1tth s VAL 230 Cb -0.15 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1tth s VAL 230 CO 0.20 -0.01 2.75 0.00 0.00 0.00 0.00 175.10 178.03 1tth n GLN 231 N 5.63 3.54 -0.25 2.72 1.13 -1.26 -4.76 117.38 124.14 1tth n GLN 231 Ca 0.14 -2.37 0.33 0.00 -1.94 0.00 0.00 57.00 53.16 1tth n GLN 231 Cb 0.43 -2.91 0.72 0.00 0.11 0.00 0.00 30.24 28.59 1tth n GLN 231 CO 0.00 0.00 0.00 1.57 -1.44 0.00 0.00 177.06 177.19 1tth h LYS 232 N 5.23 0.00 0.00 -1.09 2.10 -1.94 0.31 116.57 121.18 1tth h LYS 232 Ca 0.79 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 59.35 1tth h LYS 232 Cb 0.37 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.69 1tth h LYS 232 CO 1.80 0.00 -0.42 0.93 -2.00 0.00 0.00 179.45 179.76 1tth h GLU 233 N 0.00 0.00 -0.02 0.07 3.07 -2.02 -2.62 114.58 113.06 1tth h GLU 233 Ca 0.51 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.37 1tth h GLU 233 Cb 2.19 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.10 1tth h GLU 233 CO -0.01 0.42 -0.29 0.54 -1.40 0.00 0.00 179.01 178.27 1tth n ARG 234 N -3.67 1.61 -2.03 2.33 1.74 0.10 -4.99 116.66 111.75 1tth n ARG 234 Ca -0.01 -1.31 -0.37 0.00 -0.77 0.00 0.00 57.85 55.39 1tth n ARG 234 Cb 0.51 -1.47 0.03 0.00 -1.02 0.00 0.00 32.46 30.50 1tth n ARG 234 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1tth s LEU 235 N -2.30 3.77 0.10 0.55 1.43 -0.78 -5.03 118.68 116.42 1tth s LEU 235 Ca 0.22 2.43 -0.12 0.00 -1.03 0.00 0.00 54.13 55.64 1tth s LEU 235 Cb 0.19 -4.47 -0.06 0.00 0.03 0.00 0.00 46.19 41.87 1tth s LEU 235 CO 0.47 -1.45 0.46 -0.62 0.23 0.00 0.00 176.35 175.44 1tth s ASP 236 N -1.44 6.73 0.26 2.29 -1.08 -1.26 -4.99 116.67 117.18 1tth s ASP 236 Ca 0.74 0.92 -0.02 0.00 -0.52 0.00 0.00 52.55 53.67 1tth s ASP 236 Cb -0.32 -2.23 0.56 0.00 -1.46 0.00 0.00 42.92 39.48 1tth s ASP 236 CO 0.36 0.16 1.68 -0.65 0.52 0.00 0.00 175.17 177.24 1tth h PRO 237 N 3.76 0.27 -0.20 4.34 0.11 -1.98 0.59 132.00 138.89 1tth h PRO 237 Ca -0.49 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.66 1tth h PRO 237 Cb 1.20 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1tth h PRO 237 CO 0.66 0.18 0.14 0.66 -0.21 0.00 0.00 178.00 179.43 1tth h SER 238 N 0.27 0.00 -0.09 -2.05 4.64 -2.04 0.17 113.55 114.45 1tth h SER 238 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1tth h SER 238 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1tth h SER 238 CO -0.56 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 174.78 1tth n GLU 239 N -4.46 1.53 0.00 4.77 1.02 0.20 -4.13 120.64 119.56 1tth n GLU 239 Ca 0.02 -0.79 0.06 0.00 -0.02 0.00 0.00 57.16 56.43 1tth n GLU 239 Cb 0.28 -1.40 0.26 0.00 -0.02 0.00 0.00 31.44 30.57 1tth n GLU 239 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1tth n TYR 240 N -0.01 0.00 0.15 -0.32 4.01 0.59 -1.85 117.16 119.73 1tth n TYR 240 Ca 0.17 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 58.05 1tth n TYR 240 Cb 0.27 -0.41 0.69 0.00 -0.31 0.00 0.00 39.34 39.59 1tth n TYR 240 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1tth h ALA 241 N 2.46 2.16 -0.43 -0.72 0.00 -1.78 -3.13 119.26 117.82 1tth h ALA 241 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1tth h ALA 241 Cb 0.16 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1tth h ALA 241 CO 0.00 -0.30 0.00 0.09 0.00 0.00 0.00 179.25 179.04 1tth n ASN 242 N -4.36 4.92 0.03 0.00 4.13 -0.77 -4.67 115.26 114.54 1tth n ASN 242 Ca 0.03 -2.98 0.11 0.00 1.68 0.00 0.00 54.58 53.42 1tth n ASN 242 Cb 0.33 -0.62 0.45 0.00 -1.54 0.00 0.00 39.78 38.39 1tth n ASN 242 CO 0.00 0.00 0.00 1.33 0.28 0.00 0.00 177.26 178.87 1tth n VAL 243 N 0.11 0.58 -3.76 2.41 0.24 -1.18 -4.75 118.33 111.98 1tth n VAL 243 Ca 0.25 0.10 -0.28 0.00 -2.04 0.00 0.00 64.34 62.37 1tth n VAL 243 Cb 1.07 -0.80 -0.03 0.00 -1.47 0.00 0.00 33.84 32.60 1tth n VAL 243 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1tth s LYS 244 N -3.05 3.51 0.15 7.34 -0.14 -1.26 -4.95 119.74 121.33 1tth s LYS 244 Ca 0.10 -0.36 -0.31 0.00 -1.36 0.00 0.00 55.97 54.03 1tth s LYS 244 Cb 0.13 -2.88 -0.10 0.00 -1.68 0.00 0.00 37.83 33.29 1tth s LYS 244 CO 0.41 0.45 1.68 0.00 -0.76 0.00 0.00 175.35 177.13 1tth s ALA 245 N -1.78 3.80 -0.11 5.17 0.00 -1.26 -4.88 121.76 122.70 1tth s ALA 245 Ca 0.38 1.41 0.13 0.00 0.00 0.00 0.00 51.96 53.88 1tth s ALA 245 Cb -0.11 -3.68 -0.24 0.00 0.00 0.00 0.00 23.12 19.09 1tth s ALA 245 CO 0.28 -0.97 0.42 0.94 0.00 0.00 0.00 175.76 176.44 1tth n GLN 246 N 4.62 0.66 -4.03 0.00 7.27 -1.26 -4.72 117.38 119.92 1tth n GLN 246 Ca 0.16 0.19 -0.31 0.00 0.07 0.00 0.00 57.00 57.10 1tth n GLN 246 Cb 0.38 -1.69 -0.15 0.00 2.41 0.00 0.00 30.24 31.19 1tth n GLN 246 CO 0.00 0.00 0.00 -0.06 0.07 0.00 0.00 177.06 177.07 1tth s PHE 247 N -2.56 3.15 -0.10 3.69 0.08 -1.26 -5.10 117.98 115.88 1tth s PHE 247 Ca -0.09 -2.31 -0.03 0.00 0.12 0.00 0.00 56.93 54.63 1tth s PHE 247 Cb 0.07 -2.01 -0.03 0.00 -0.57 0.00 0.00 43.02 40.48 1tth s PHE 247 CO 0.82 -0.87 0.01 0.08 -0.10 0.00 0.00 175.22 175.16 1tth s VAL 248 N 1.14 4.42 -0.23 -0.44 1.01 -1.26 -4.84 120.40 120.19 1tth s VAL 248 Ca -0.05 -0.20 -0.10 0.00 0.00 0.00 0.00 61.98 61.63 1tth s VAL 248 Cb -0.20 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.26 1tth s VAL 248 CO -0.06 0.59 0.14 -0.22 0.00 0.00 0.00 175.10 175.55 1tth s LEU 249 N -0.75 4.06 0.14 3.92 2.96 0.11 -4.99 118.68 124.13 1tth s LEU 249 Ca 0.12 0.10 0.07 0.00 -0.22 0.00 0.00 54.13 54.20 1tth s LEU 249 Cb -0.12 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 1tth s LEU 249 CO 0.02 0.08 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.96 1tth s ARG 250 N 0.97 2.30 0.00 1.98 0.52 -1.26 -0.07 118.95 123.38 1tth s ARG 250 Ca 0.07 -1.07 0.12 0.00 -0.52 0.00 0.00 55.73 54.33 1tth s ARG 250 Cb -0.13 -2.34 0.70 0.00 0.52 0.00 0.00 34.95 33.70 1tth s ARG 250 CO 0.04 0.48 1.16 0.00 0.02 0.00 0.00 175.30 176.99 1tth n ALA 251 N 0.22 2.14 -0.04 2.13 0.00 -1.26 -2.48 120.51 121.22 1tth n ALA 251 Ca -0.11 -0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.30 1tth n ALA 251 Cb 0.54 -1.19 -0.16 0.00 0.00 0.00 0.00 19.45 18.64 1tth n ALA 251 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1tth n SER 252 N -0.82 0.31 0.07 0.00 3.41 -1.26 -4.27 113.62 111.05 1tth n SER 252 Ca 0.09 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.80 1tth n SER 252 Cb 0.04 1.64 0.43 0.00 -0.26 0.00 0.00 64.21 66.06 1tth n SER 252 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1tth n ASP 253 N -2.36 0.38 -0.03 4.04 8.00 -1.04 -2.62 116.55 122.92 1tth n ASP 253 Ca -0.12 0.58 0.14 0.00 0.71 0.00 0.00 54.79 56.10 1tth n ASP 253 Cb 0.71 -0.67 0.62 0.00 -0.02 0.00 0.00 41.12 41.77 1tth n ASP 253 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1tth n LEU 254 N -1.91 0.20 -0.34 0.64 4.77 -1.26 -4.37 117.00 114.73 1tth n LEU 254 Ca 0.03 0.23 0.15 0.00 -0.03 0.00 0.00 56.01 56.39 1tth n LEU 254 Cb 0.24 -0.31 0.34 0.00 -2.33 0.00 0.00 43.42 41.36 1tth n LEU 254 CO 0.19 0.04 1.16 1.12 -1.33 0.00 0.00 177.39 178.58 1tth h HIS 255 N 0.17 0.99 -0.35 -1.77 2.07 -1.77 -0.89 115.15 113.60 1tth h HIS 255 Ca 0.00 0.04 0.00 0.00 -2.85 0.00 0.00 60.37 57.56 1tth h HIS 255 Cb 0.39 -0.29 0.00 0.00 2.57 0.00 0.00 27.41 30.08 1tth h HIS 255 CO 0.00 0.13 0.00 0.27 -3.07 0.00 0.00 177.93 175.26 1tth n ASN 256 N -4.85 3.30 -4.77 3.10 6.94 -1.26 -5.00 115.26 112.72 1tth n ASN 256 Ca 0.24 -1.95 -0.37 0.00 -0.02 0.00 0.00 54.58 52.49 1tth n ASN 256 Cb 0.65 -0.23 -0.01 0.00 -2.36 0.00 0.00 39.78 37.83 1tth n ASN 256 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1tth s ALA 257 N -1.40 2.93 0.37 -2.53 0.00 -0.34 -4.33 121.76 116.44 1tth s ALA 257 Ca 0.35 0.90 -0.25 0.00 0.00 0.00 0.00 51.96 52.95 1tth s ALA 257 Cb 0.21 -3.37 -0.12 0.00 0.00 0.00 0.00 23.12 19.83 1tth s ALA 257 CO 0.29 -0.65 0.93 1.63 0.00 0.00 0.00 175.76 177.97 1tth n LYS 258 N -0.62 1.22 0.16 0.00 5.02 -1.25 -4.89 118.16 117.80 1tth n LYS 258 Ca 0.08 0.43 0.03 0.00 -2.02 0.00 0.00 58.31 56.83 1tth n LYS 258 Cb 0.49 -1.87 0.23 0.00 -0.02 0.00 0.00 35.03 33.85 1tth n LYS 258 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tth h ALA 259 N 1.60 0.90 0.00 7.82 0.00 -1.96 -2.70 119.26 124.92 1tth h ALA 259 Ca -0.42 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1tth h ALA 259 Cb 1.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1tth h ALA 259 CO 0.57 0.61 0.00 0.27 0.00 0.00 0.00 179.25 180.70 1tth n ASN 260 N -3.53 0.00 -4.77 0.00 6.94 -1.26 -4.88 115.26 107.76 1tth n ASN 260 Ca -0.00 0.29 -0.39 0.00 -0.02 0.00 0.00 54.58 54.46 1tth n ASN 260 Cb 0.59 -0.43 -0.02 0.00 -2.36 0.00 0.00 39.78 37.56 1tth n ASN 260 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1tth s MET 261 N -2.86 4.24 -0.02 -3.83 0.23 -1.02 -4.88 119.30 111.16 1tth s MET 261 Ca 0.18 1.95 0.05 0.00 -1.03 0.00 0.00 55.69 56.84 1tth s MET 261 Cb 0.19 -2.88 -0.01 0.00 -1.53 0.00 0.00 34.83 30.60 1tth s MET 261 CO 0.49 -0.19 -0.17 0.15 -2.03 0.00 0.00 175.02 173.27 1tth s LYS 262 N -2.00 1.51 -0.31 3.16 -0.14 -1.04 -4.62 119.74 116.31 1tth s LYS 262 Ca 0.52 -0.60 -0.17 0.00 -1.36 0.00 0.00 55.97 54.37 1tth s LYS 262 Cb -0.34 -1.40 -0.02 0.00 -1.68 0.00 0.00 37.83 34.39 1tth s LYS 262 CO 0.43 0.31 0.46 0.08 -0.76 0.00 0.00 175.35 175.87 1tth s VAL 263 N -0.21 5.09 0.30 3.17 1.01 0.02 -2.53 120.40 127.25 1tth s VAL 263 Ca 0.02 0.50 0.08 0.00 0.00 0.00 0.00 61.98 62.59 1tth s VAL 263 Cb -0.09 -3.84 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1tth s VAL 263 CO 0.00 -0.03 0.11 -0.76 0.00 0.00 0.00 175.10 174.42 1tth s LEU 264 N 2.24 3.34 -0.30 3.92 1.43 -0.85 -1.55 118.68 126.92 1tth s LEU 264 Ca 0.17 -0.63 -0.14 0.00 -1.03 0.00 0.00 54.13 52.51 1tth s LEU 264 Cb -0.16 -1.85 0.14 0.00 0.03 0.00 0.00 46.19 44.35 1tth s LEU 264 CO 0.11 -0.15 0.86 -2.28 0.23 0.00 0.00 176.35 175.12 1tth s HIS 265 N -2.34 -0.88 0.41 0.29 2.46 -1.26 -1.43 115.29 112.54 1tth s HIS 265 Ca 0.35 1.59 0.12 0.00 0.47 0.00 0.00 55.06 57.59 1tth s HIS 265 Cb -0.05 0.53 0.87 0.00 -0.13 0.00 0.00 32.58 33.80 1tth s HIS 265 CO 0.22 -0.44 1.94 -1.00 -2.47 0.00 0.00 174.74 172.99 1tth h PRO 266 N 7.28 0.11 -0.20 2.88 0.13 -1.95 -3.46 132.00 136.79 1tth h PRO 266 Ca -0.21 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1tth h PRO 266 Cb 1.14 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1tth h PRO 266 CO 0.12 0.29 -0.06 1.28 -0.23 0.00 0.00 178.00 179.40 1tth n LEU 267 N -4.28 -0.09 -4.91 1.56 4.77 -1.26 -5.00 117.00 107.79 1tth n LEU 267 Ca -0.02 0.15 -0.28 0.00 -0.03 0.00 0.00 56.01 55.84 1tth n LEU 267 Cb 0.27 0.59 0.07 0.00 -2.33 0.00 0.00 43.42 42.03 1tth n LEU 267 CO 0.37 -0.06 0.70 -2.16 -1.33 0.00 0.00 177.39 174.92 1tth s PRO 268 N -3.89 2.22 -0.02 3.23 0.05 -1.26 -5.04 135.00 130.29 1tth s PRO 268 Ca 0.00 0.01 0.05 0.00 0.05 0.00 0.00 61.00 61.10 1tth s PRO 268 Cb 0.00 -2.06 -0.03 0.00 0.05 0.00 0.00 34.50 32.46 1tth s PRO 268 CO 0.00 -1.34 -0.16 -0.98 0.05 0.00 0.00 177.00 174.57 1tth s ARG 269 N -5.39 2.36 0.00 4.56 1.04 -1.26 -4.59 118.95 115.67 1tth s ARG 269 Ca 0.60 -0.79 0.00 0.00 -1.04 0.00 0.00 55.73 54.51 1tth s ARG 269 Cb -0.11 -2.30 0.00 0.00 -2.04 0.00 0.00 34.95 30.50 1tth s ARG 269 CO 0.47 0.60 0.00 0.28 -0.04 0.00 0.00 175.30 176.61 1tth n VAL 270 N 2.13 0.00 -0.52 4.99 0.31 -1.26 -4.94 118.33 119.04 1tth n VAL 270 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 1tth n VAL 270 Cb 0.52 -0.66 0.00 0.00 -0.91 0.00 0.00 33.84 32.79 1tth n VAL 270 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1tth n ASP 271 N -0.84 0.54 0.00 4.52 5.75 -1.26 -4.72 116.55 120.54 1tth n ASP 271 Ca 0.00 -1.06 0.10 0.00 -0.01 0.00 0.00 54.79 53.82 1tth n ASP 271 Cb 0.00 0.00 0.49 0.00 -1.03 0.00 0.00 41.12 40.58 1tth n ASP 271 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1tth n GLU 272 N -0.03 0.16 -3.87 0.11 0.00 -1.26 -4.38 120.64 111.37 1tth n GLU 272 Ca 0.00 0.11 -0.27 0.00 0.00 0.00 0.00 57.16 57.00 1tth n GLU 272 Cb 0.16 -1.50 -0.17 0.00 0.00 0.00 0.00 31.44 29.93 1tth n GLU 272 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1tth s ILE 273 N -2.77 0.96 0.26 3.84 1.01 -1.26 -0.71 121.20 122.54 1tth s ILE 273 Ca 0.15 -0.41 -0.30 0.00 0.00 0.00 0.00 60.65 60.10 1tth s ILE 273 Cb 0.14 -1.10 -0.09 0.00 0.01 0.00 0.00 42.46 41.42 1tth s ILE 273 CO 0.35 0.21 1.12 0.00 0.00 0.00 0.00 174.94 176.62 1tth s ALA 274 N 1.71 3.41 0.64 9.38 0.00 0.90 -4.91 121.76 132.88 1tth s ALA 274 Ca 0.03 0.91 0.34 0.00 0.00 0.00 0.00 51.96 53.24 1tth s ALA 274 Cb -0.14 -3.34 1.89 0.00 0.00 0.00 0.00 23.12 21.52 1tth s ALA 274 CO -0.08 -0.20 2.13 1.79 0.00 0.00 0.00 175.76 179.40 1tth h THR 275 N 3.22 0.19 0.00 0.00 1.35 -1.96 0.26 112.91 115.97 1tth h THR 275 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1tth h THR 275 Cb 1.21 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 1tth h THR 275 CO 0.68 0.00 0.00 -2.24 -0.25 0.00 0.00 175.52 173.71 1tth h ASP 276 N 0.00 0.00 -0.08 5.36 2.03 -1.94 -2.67 116.42 119.12 1tth h ASP 276 Ca 0.04 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.19 1tth h ASP 276 Cb 0.40 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.89 1tth h ASP 276 CO -0.00 0.00 -0.44 0.58 -1.03 0.00 0.00 179.24 178.35 1tth h VAL 277 N 0.00 1.30 -1.43 4.15 2.07 -0.81 -3.23 116.25 118.30 1tth h VAL 277 Ca 0.00 -1.62 0.45 0.00 0.82 0.00 0.00 66.70 66.35 1tth h VAL 277 Cb 0.50 1.58 -0.11 0.00 -1.52 0.00 0.00 31.29 31.73 1tth h VAL 277 CO 0.00 0.51 0.96 0.44 0.02 0.00 0.00 177.57 179.50 1tth h ASP 278 N 0.50 0.18 0.19 0.57 5.19 -1.60 0.16 116.42 121.61 1tth h ASP 278 Ca 0.04 0.10 -0.35 0.00 -0.62 0.00 0.00 57.03 56.20 1tth h ASP 278 Cb 0.96 0.09 0.01 0.00 0.18 0.00 0.00 39.33 40.58 1tth h ASP 278 CO 0.09 -0.14 -1.73 0.11 -3.12 0.00 0.00 179.24 174.45 1tth h LYS 279 N 0.07 0.40 -6.63 3.56 6.56 -1.72 -3.45 116.57 115.35 1tth h LYS 279 Ca 0.83 -0.68 -0.58 0.00 -1.06 0.00 0.00 60.65 59.16 1tth h LYS 279 Cb 2.77 0.25 0.15 0.00 -0.57 0.00 0.00 32.23 34.83 1tth h LYS 279 CO -0.32 1.32 -0.03 0.25 -2.06 0.00 0.00 179.45 178.61 1tth n THR 280 N -3.62 2.66 1.55 -0.16 -2.24 0.55 -4.83 114.28 108.20 1tth n THR 280 Ca -0.25 -0.50 0.05 0.00 -2.27 0.00 0.00 64.05 61.09 1tth n THR 280 Cb 1.07 -0.98 0.31 0.00 -2.10 0.00 0.00 70.33 68.63 1tth n THR 280 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1tth n PRO 281 N -0.15 0.78 -0.00 -0.78 -0.02 -1.26 -1.95 135.00 131.61 1tth n PRO 281 Ca 0.11 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.44 1tth n PRO 281 Cb 0.43 -1.21 -0.14 0.00 -0.02 0.00 0.00 33.50 32.56 1tth n PRO 281 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1tth h HIS 282 N 0.00 0.27 -2.06 6.00 3.86 -1.85 -3.46 115.15 117.90 1tth h HIS 282 Ca 0.00 -0.20 -0.60 0.00 -1.16 0.00 0.00 60.37 58.42 1tth h HIS 282 Cb 0.00 -0.01 0.02 0.00 1.06 0.00 0.00 27.41 28.47 1tth h HIS 282 CO 0.00 1.40 1.17 0.00 0.86 0.00 0.00 177.93 181.36 1tth n ALA 283 N -2.77 1.10 -0.71 2.45 0.00 -0.82 -0.80 120.51 118.97 1tth n ALA 283 Ca -0.24 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1tth n ALA 283 Cb 1.05 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 17.93 1tth n ALA 283 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1tth n TRP 284 N 7.33 0.00 -0.12 0.00 -0.00 -0.60 -4.87 117.44 119.19 1tth n TRP 284 Ca 0.23 -0.17 -0.06 0.00 -0.00 0.00 0.00 57.50 57.50 1tth n TRP 284 Cb 0.33 -0.02 0.11 0.00 -0.00 0.00 0.00 31.31 31.73 1tth n TRP 284 CO 0.00 0.00 0.00 0.10 -0.00 0.00 0.00 177.69 177.79 1tth h TYR 285 N 0.00 0.91 -0.01 5.87 -0.00 -1.84 -2.63 116.97 119.27 1tth h TYR 285 Ca 0.00 -0.16 -0.16 0.00 -0.00 0.00 0.00 58.73 58.41 1tth h TYR 285 Cb 0.85 -0.24 -0.02 0.00 -0.00 0.00 0.00 36.73 37.33 1tth h TYR 285 CO 0.00 0.87 -0.75 0.74 -0.00 0.00 0.00 178.16 179.02 1tth h PHE 286 N 0.76 0.09 -0.20 0.10 0.04 -1.90 -2.50 116.94 113.33 1tth h PHE 286 Ca 0.13 -0.04 -0.11 0.00 2.80 0.00 0.00 57.97 60.75 1tth h PHE 286 Cb 0.57 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.71 1tth h PHE 286 CO 0.03 0.79 -0.29 1.96 -0.60 0.00 0.00 178.31 180.20 1tth h GLN 287 N 0.04 0.54 -0.45 1.51 7.50 -1.91 -2.91 115.11 119.43 1tth h GLN 287 Ca -0.01 -0.32 0.00 0.00 0.50 0.00 0.00 58.65 58.82 1tth h GLN 287 Cb 1.33 0.03 -0.02 0.00 0.05 0.00 0.00 27.48 28.86 1tth h GLN 287 CO 0.10 0.92 0.29 0.37 -1.50 0.00 0.00 178.83 179.01 1tth h GLN 288 N 0.21 0.60 -0.42 1.46 4.15 -1.40 -1.15 115.11 118.56 1tth h GLN 288 Ca 0.02 -0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.42 1tth h GLN 288 Cb 0.86 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.40 1tth h GLN 288 CO 0.07 0.41 0.28 0.00 -1.93 0.00 0.00 178.83 177.66 1tth h ALA 289 N 1.70 1.81 -0.46 3.38 0.00 -1.25 -2.22 119.26 122.21 1tth h ALA 289 Ca 0.17 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1tth h ALA 289 Cb -0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1tth h ALA 289 CO -0.03 0.15 0.11 0.78 0.00 0.00 0.00 179.25 180.25 1tth h GLY 290 N 0.47 0.80 2.00 0.00 0.00 -1.10 -2.94 103.07 102.30 1tth h GLY 290 Ca 0.17 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1tth h GLY 290 CO -0.04 0.47 0.00 0.70 0.00 0.00 0.00 176.54 177.67 1tth n ASN 291 N -4.49 0.54 -0.10 0.19 5.03 -0.84 -1.32 115.26 114.27 1tth n ASN 291 Ca 0.01 0.70 0.04 0.00 0.87 0.00 0.00 54.58 56.20 1tth n ASN 291 Cb 0.22 -0.79 0.37 0.00 -1.02 0.00 0.00 39.78 38.57 1tth n ASN 291 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1tth h GLY 292 N 0.93 0.78 0.66 7.41 0.00 -1.43 -0.34 103.07 111.08 1tth h GLY 292 Ca 0.00 -0.27 0.04 0.00 0.00 0.00 0.00 47.33 47.09 1tth h GLY 292 CO 0.00 0.24 0.00 -2.22 0.00 0.00 0.00 176.54 174.57 1tth h ILE 293 N 0.70 0.84 0.07 2.60 1.08 -1.40 0.39 117.51 121.79 1tth h ILE 293 Ca 0.23 -0.03 -0.00 0.00 -0.39 0.00 0.00 64.86 64.67 1tth h ILE 293 Cb 0.06 0.76 0.00 0.00 -3.07 0.00 0.00 36.82 34.57 1tth h ILE 293 CO -0.06 0.01 -0.03 -0.26 -0.69 0.00 0.00 178.15 177.12 1tth h PHE 294 N 0.07 -0.09 -0.78 1.37 0.04 -1.53 -0.67 116.94 115.35 1tth h PHE 294 Ca 0.11 -0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.92 1tth h PHE 294 Cb 0.13 0.03 -0.05 0.00 2.20 0.00 0.00 35.95 38.26 1tth h PHE 294 CO -0.18 0.33 0.51 0.00 -0.60 0.00 0.00 178.31 178.37 1tth h ALA 295 N 0.35 1.59 -0.09 2.45 0.00 -1.11 -1.00 119.26 121.44 1tth h ALA 295 Ca -0.01 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1tth h ALA 295 Cb 0.46 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1tth h ALA 295 CO 0.02 0.31 -0.27 0.00 0.00 0.00 0.00 179.25 179.31 1tth h ARG 296 N 0.90 0.34 0.28 0.00 3.08 -0.80 -0.27 114.38 117.91 1tth h ARG 296 Ca 0.32 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1tth h ARG 296 Cb 0.14 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 1tth h ARG 296 CO -0.10 0.87 -0.42 1.96 -1.07 0.00 0.00 179.97 181.20 1tth h GLN 297 N -0.12 -0.73 -0.72 0.04 4.20 -1.03 -1.99 115.11 114.75 1tth h GLN 297 Ca -0.01 0.05 0.15 0.00 0.06 0.00 0.00 58.65 58.91 1tth h GLN 297 Cb 0.89 0.17 -0.14 0.00 0.30 0.00 0.00 27.48 28.70 1tth h GLN 297 CO 0.06 -0.49 -0.15 0.00 -0.67 0.00 0.00 178.83 177.58 1tth n ALA 298 N -2.77 0.20 0.32 3.87 0.00 -0.39 -0.51 120.51 121.23 1tth n ALA 298 Ca -0.09 0.79 -0.12 0.00 0.00 0.00 0.00 53.44 54.02 1tth n ALA 298 Cb 0.39 -0.49 -0.06 0.00 0.00 0.00 0.00 19.45 19.29 1tth n ALA 298 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1tth h LEU 299 N 0.00 -0.69 -0.99 0.00 5.85 -0.62 -2.78 115.31 116.09 1tth h LEU 299 Ca 0.36 0.02 0.34 0.00 0.84 0.00 0.00 57.88 59.45 1tth h LEU 299 Cb 0.59 0.18 -0.16 0.00 0.37 0.00 0.00 40.66 41.64 1tth h LEU 299 CO -0.74 -0.45 0.48 -0.07 -0.34 0.00 0.00 178.44 177.32 1tth h LEU 300 N -0.89 0.32 0.26 2.25 3.38 -0.06 -0.77 115.31 119.79 1tth h LEU 300 Ca -0.08 0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1tth h LEU 300 Cb 0.62 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1tth h LEU 300 CO 0.14 -0.25 -0.12 0.00 0.09 0.00 0.00 178.44 178.29 1tth h ALA 301 N 1.90 -0.35 -0.16 1.53 0.00 -0.90 -2.84 119.26 118.45 1tth h ALA 301 Ca 0.74 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.51 1tth h ALA 301 Cb 1.77 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 1tth h ALA 301 CO -0.69 -0.61 0.06 -0.07 0.00 0.00 0.00 179.25 177.94 1tth h LEU 302 N -0.52 0.19 0.19 0.00 3.38 -0.86 -2.17 115.31 115.51 1tth h LEU 302 Ca -0.04 -0.01 -0.33 0.00 0.09 0.00 0.00 57.88 57.60 1tth h LEU 302 Cb 0.39 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.10 1tth h LEU 302 CO 0.06 0.18 -1.58 0.58 0.09 0.00 0.00 178.44 177.77 1tth h VAL 303 N 0.22 1.05 -0.06 1.22 2.07 -1.48 -2.44 116.25 116.84 1tth h VAL 303 Ca 0.06 -2.53 0.00 0.00 0.82 0.00 0.00 66.70 65.05 1tth h VAL 303 Cb 0.06 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 1tth h VAL 303 CO -0.01 0.81 0.00 0.18 0.02 0.00 0.00 177.57 178.58 1tth n LEU 304 N -3.71 1.89 -3.77 2.57 4.77 -1.07 -0.17 117.00 117.51 1tth n LEU 304 Ca -0.23 -0.67 -0.25 0.00 -0.03 0.00 0.00 56.01 54.83 1tth n LEU 304 Cb 1.03 -0.03 -0.17 0.00 -2.33 0.00 0.00 43.42 41.93 1tth n LEU 304 CO 0.51 0.33 -0.38 0.20 -1.33 0.00 0.00 177.39 176.72 1tth s ASN 305 N -1.91 2.23 0.20 -1.43 0.01 -0.82 -5.02 114.94 108.19 1tth s ASN 305 Ca 0.35 -0.43 -0.11 0.00 -0.71 0.00 0.00 52.86 51.96 1tth s ASN 305 Cb 0.20 -0.54 0.19 0.00 0.41 0.00 0.00 41.25 41.51 1tth s ASN 305 CO 0.32 -0.24 1.79 0.03 -1.51 0.00 0.00 177.10 177.49 1tth h ARG 306 N 8.28 0.56 -3.39 -0.60 3.08 -1.87 -3.40 114.38 117.05 1tth h ARG 306 Ca -0.19 -0.03 -0.52 0.00 0.07 0.00 0.00 59.98 59.30 1tth h ARG 306 Cb 1.12 -0.13 -0.40 0.00 0.08 0.00 0.00 29.97 30.65 1tth h ARG 306 CO 0.31 0.37 -0.76 0.34 -1.07 0.00 0.00 179.97 179.16 1tth s ASP 307 N -5.53 3.15 -0.08 7.04 -1.08 -1.26 -1.93 116.67 116.97 1tth s ASP 307 Ca -0.13 -1.02 -0.16 0.00 -0.52 0.00 0.00 52.55 50.72 1tth s ASP 307 Cb 0.15 -0.57 -0.05 0.00 -1.46 0.00 0.00 42.92 40.99 1tth s ASP 307 CO 0.75 -0.35 0.43 -0.76 0.52 0.00 0.00 175.17 175.75 1tth s LEU 308 N 1.88 4.34 -0.22 -1.34 1.43 -1.26 -5.08 118.68 118.43 1tth s LEU 308 Ca 0.03 0.82 -0.03 0.00 -1.03 0.00 0.00 54.13 53.92 1tth s LEU 308 Cb -0.17 -2.61 0.07 0.00 0.03 0.00 0.00 46.19 43.51 1tth s LEU 308 CO -0.15 0.12 0.07 0.54 0.23 0.00 0.00 176.35 177.16 1tth s VAL 309 N 0.04 0.31 0.00 -1.59 0.11 -1.26 -5.13 120.40 112.88 1tth s VAL 309 Ca 0.24 -0.60 0.00 0.00 -2.93 0.00 0.00 61.98 58.69 1tth s VAL 309 Cb -0.15 -0.98 0.00 0.00 -1.53 0.00 0.00 36.38 33.71 1tth s VAL 309 CO 0.10 -0.37 0.22 0.18 -3.33 0.00 0.00 175.10 171.90