#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tsj s ASP 2 N 0.00 3.93 -0.05 7.83 -4.77 -1.26 -5.07 116.67 117.28 1tsj s ASP 2 Ca 0.00 -0.41 -0.03 0.00 -3.30 0.00 0.00 52.55 48.82 1tsj s ASP 2 Cb 0.00 -1.62 -0.04 0.00 -1.09 0.00 0.00 42.92 40.17 1tsj s ASP 2 CO 0.00 0.08 0.10 0.27 0.70 0.00 0.00 175.17 176.32 1tsj s ILE 3 N 0.84 4.97 0.75 2.11 -4.36 -1.26 -4.98 121.20 119.28 1tsj s ILE 3 Ca -0.04 -0.18 -0.13 0.00 -0.26 0.00 0.00 60.65 60.04 1tsj s ILE 3 Cb -0.15 -3.22 0.05 0.00 1.25 0.00 0.00 42.46 40.39 1tsj s ILE 3 CO 0.00 0.46 1.15 -2.16 0.24 0.00 0.00 174.94 174.63 1tsj s PRO 4 N -1.44 2.16 0.33 0.37 0.04 -1.26 -4.92 135.00 130.28 1tsj s PRO 4 Ca 0.20 1.51 0.10 0.00 0.04 0.00 0.00 61.00 62.85 1tsj s PRO 4 Cb -0.12 -1.86 0.89 0.00 0.04 0.00 0.00 34.50 33.45 1tsj s PRO 4 CO 0.10 -1.77 1.74 1.57 0.04 0.00 0.00 177.00 178.69 1tsj h LYS 5 N -0.61 0.57 -4.47 4.56 -0.00 -1.91 -3.36 116.57 111.35 1tsj h LYS 5 Ca -0.46 -0.03 -0.60 0.00 -0.00 0.00 0.00 60.65 59.56 1tsj h LYS 5 Cb 1.27 -0.13 -0.37 0.00 -0.00 0.00 0.00 32.23 32.99 1tsj h LYS 5 CO 0.50 0.38 -0.81 0.42 -0.00 0.00 0.00 179.45 179.94 1tsj s ILE 6 N -5.75 1.49 -0.14 0.07 1.01 -1.26 -1.92 121.20 114.71 1tsj s ILE 6 Ca -0.11 -0.89 -0.03 0.00 0.00 0.00 0.00 60.65 59.63 1tsj s ILE 6 Cb 0.27 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 41.12 1tsj s ILE 6 CO 0.80 0.17 -0.04 -0.89 0.00 0.00 0.00 174.94 174.98 1tsj s THR 7 N 1.46 3.89 0.12 2.92 2.01 0.21 -4.90 115.64 121.35 1tsj s THR 7 Ca -0.00 -0.37 -0.30 0.00 0.31 0.00 0.00 61.69 61.32 1tsj s THR 7 Cb -0.16 -2.68 -0.06 0.00 0.01 0.00 0.00 72.50 69.61 1tsj s THR 7 CO -0.08 0.52 1.11 -0.89 -0.69 0.00 0.00 174.62 174.59 1tsj s THR 8 N 0.08 4.04 -0.19 -0.82 2.01 -1.26 -0.57 115.64 118.92 1tsj s THR 8 Ca -0.00 1.62 0.01 0.00 0.31 0.00 0.00 61.69 63.63 1tsj s THR 8 Cb -0.13 -4.04 0.03 0.00 0.01 0.00 0.00 72.50 68.37 1tsj s THR 8 CO 0.03 0.21 -0.15 0.12 -0.69 0.00 0.00 174.62 174.15 1tsj s PHE 9 N 0.31 2.63 0.38 4.92 5.36 -0.16 -4.62 117.98 126.81 1tsj s PHE 9 Ca 0.52 -1.66 0.05 0.00 -0.96 0.00 0.00 56.93 54.88 1tsj s PHE 9 Cb -0.28 -1.78 0.05 0.00 -0.34 0.00 0.00 43.02 40.67 1tsj s PHE 9 CO 0.32 -0.77 0.38 1.28 -1.46 0.00 0.00 175.22 174.97 1tsj n LEU 10 N 4.64 0.00 -3.79 6.12 4.32 -1.26 -1.65 117.00 125.38 1tsj n LEU 10 Ca -0.17 -1.86 0.03 0.00 -0.02 0.00 0.00 56.01 53.98 1tsj n LEU 10 Cb 0.48 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 42.15 1tsj n LEU 10 CO 0.23 -0.54 1.13 -0.36 -1.22 0.00 0.00 177.39 176.62 1tsj s PHE 12 N -1.71 -0.00 0.00 -1.77 0.40 -0.41 -0.94 117.98 113.55 1tsj s PHE 12 Ca 0.29 -0.07 0.00 0.00 -0.60 0.00 0.00 56.93 56.55 1tsj s PHE 12 Cb -0.02 0.53 0.00 0.00 0.51 0.00 0.00 43.02 44.04 1tsj s PHE 12 CO 0.18 -0.18 0.31 0.09 0.70 0.00 0.00 175.22 176.33 1tsj n ASN 13 N -0.76 0.00 -3.06 1.36 4.13 -1.26 -4.53 115.26 111.14 1tsj n ASN 13 Ca -0.03 0.42 -0.16 0.00 1.68 0.00 0.00 54.58 56.50 1tsj n ASN 13 Cb 0.61 -0.21 -0.00 0.00 -1.54 0.00 0.00 39.78 38.64 1tsj n ASN 13 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1tsj n ASN 14 N -1.12 -0.19 -0.36 6.41 3.02 -1.25 -4.84 115.26 116.91 1tsj n ASN 14 Ca 0.00 -3.16 0.02 0.00 -0.03 0.00 0.00 54.58 51.41 1tsj n ASN 14 Cb 0.00 0.12 0.03 0.00 -0.61 0.00 0.00 39.78 39.31 1tsj n ASN 14 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1tsj n GLN 15 N 0.49 0.32 -0.03 3.52 6.02 -0.57 -4.89 117.38 122.25 1tsj n GLN 15 Ca 0.19 -1.27 -0.15 0.00 -0.01 0.00 0.00 57.00 55.76 1tsj n GLN 15 Cb 0.65 -0.70 -0.10 0.00 1.02 0.00 0.00 30.24 31.11 1tsj n GLN 15 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1tsj h ALA 16 N 0.00 0.12 -0.78 -1.58 0.00 -1.40 -0.38 119.26 115.24 1tsj h ALA 16 Ca 0.00 -0.46 0.05 0.00 0.00 0.00 0.00 54.91 54.50 1tsj h ALA 16 Cb 1.27 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 1tsj h ALA 16 CO 0.00 0.21 0.48 1.49 0.00 0.00 0.00 179.25 181.43 1tsj h GLU 17 N -0.15 0.86 0.06 0.00 4.81 -1.90 0.66 114.58 118.93 1tsj h GLU 17 Ca -0.03 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1tsj h GLU 17 Cb 1.02 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1tsj h GLU 17 CO 0.07 0.57 -0.03 0.93 -0.73 0.00 0.00 179.01 179.83 1tsj h GLU 18 N 0.89 -0.08 0.33 1.92 5.08 -1.93 -1.22 114.58 119.57 1tsj h GLU 18 Ca 0.33 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1tsj h GLU 18 Cb 0.13 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1tsj h GLU 18 CO -0.16 0.04 -0.42 0.00 -1.00 0.00 0.00 179.01 177.48 1tsj h ALA 19 N 0.75 -0.87 -0.68 3.43 0.00 -0.66 0.37 119.26 121.60 1tsj h ALA 19 Ca -0.01 -0.13 0.14 0.00 0.00 0.00 0.00 54.91 54.92 1tsj h ALA 19 Cb 0.16 0.63 -0.12 0.00 0.00 0.00 0.00 17.79 18.46 1tsj h ALA 19 CO 0.01 -1.04 -0.07 0.28 0.00 0.00 0.00 179.25 178.43 1tsj h VAL 20 N -0.80 0.38 -0.53 0.00 2.07 -0.95 -0.21 116.25 116.21 1tsj h VAL 20 Ca -0.02 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.49 1tsj h VAL 20 Cb 0.74 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1tsj h VAL 20 CO -0.12 0.01 0.35 0.50 0.02 0.00 0.00 177.57 178.34 1tsj h LYS 21 N 0.06 0.66 -0.11 1.57 3.64 -0.84 -0.68 116.57 120.86 1tsj h LYS 21 Ca 0.35 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.59 1tsj h LYS 21 Cb 0.57 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1tsj h LYS 21 CO -0.64 0.43 -0.30 1.25 -2.27 0.00 0.00 179.45 177.93 1tsj h LEU 22 N 0.68 0.46 0.21 5.20 5.85 0.19 -2.53 115.31 125.36 1tsj h LEU 22 Ca 0.20 -0.59 -0.31 0.00 0.84 0.00 0.00 57.88 58.02 1tsj h LEU 22 Cb -0.01 -0.13 0.04 0.00 0.37 0.00 0.00 40.66 40.93 1tsj h LEU 22 CO -0.05 0.97 -1.35 1.88 -0.34 0.00 0.00 178.44 179.54 1tsj h TYR 23 N -0.03 0.95 -0.79 1.25 0.99 -0.61 -2.80 116.97 115.93 1tsj h TYR 23 Ca -0.01 -0.67 0.17 0.00 2.00 0.00 0.00 58.73 60.22 1tsj h TYR 23 Cb 0.91 -0.05 -0.11 0.00 1.00 0.00 0.00 36.73 38.49 1tsj h TYR 23 CO 0.11 1.52 0.29 1.15 -0.00 0.00 0.00 178.16 181.23 1tsj h THR 24 N 0.12 0.57 -0.32 -2.88 2.02 -1.25 -1.89 112.91 109.28 1tsj h THR 24 Ca -0.23 -0.13 -0.10 0.00 0.77 0.00 0.00 66.41 66.72 1tsj h THR 24 Cb 2.05 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 1tsj h THR 24 CO 0.26 0.07 -0.18 0.28 0.37 0.00 0.00 175.52 176.32 1tsj h SER 25 N 0.39 0.72 -0.16 4.18 0.02 -1.45 -3.32 113.55 113.92 1tsj h SER 25 Ca 0.45 -0.42 -0.12 0.00 -0.84 0.00 0.00 61.79 60.86 1tsj h SER 25 Cb 0.75 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.10 1tsj h SER 25 CO -0.47 0.98 -0.38 -0.07 -1.14 0.00 0.00 176.83 175.75 1tsj h LEU 26 N 0.46 0.60-10.04 5.07 3.38 -1.32 -3.45 115.31 110.00 1tsj h LEU 26 Ca 0.07 -0.57 -0.52 0.00 0.09 0.00 0.00 57.88 56.95 1tsj h LEU 26 Cb 0.72 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 1tsj h LEU 26 CO 0.05 1.07 -0.06 -0.36 0.09 0.00 0.00 178.44 179.23 1tsj s PHE 27 N -3.95 3.44 0.00 1.13 0.40 -0.73 -5.04 117.98 113.24 1tsj s PHE 27 Ca -0.13 0.89 0.00 0.00 -0.60 0.00 0.00 56.93 57.09 1tsj s PHE 27 Cb 0.06 -2.29 0.00 0.00 0.51 0.00 0.00 43.02 41.30 1tsj s PHE 27 CO 0.81 0.16 0.04 0.39 0.70 0.00 0.00 175.22 177.33 1tsj n GLU 28 N -0.55 0.00 -1.45 0.44 1.02 -1.26 -4.20 120.64 114.65 1tsj n GLU 28 Ca 0.01 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.75 1tsj n GLU 28 Cb 0.53 -0.30 -0.02 0.00 -0.02 0.00 0.00 31.44 31.63 1tsj n GLU 28 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1tsj n ASP 29 N -0.18 6.30 -4.20 1.62 2.03 -1.26 -4.75 116.55 116.11 1tsj n ASP 29 Ca 0.00 -2.67 -0.14 0.00 0.52 0.00 0.00 54.79 52.50 1tsj n ASP 29 Cb 0.00 -1.56 -0.10 0.00 -0.72 0.00 0.00 41.12 38.74 1tsj n ASP 29 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1tsj s SER 30 N 2.77 1.53 -0.29 1.67 1.04 -1.26 -1.11 113.70 118.05 1tsj s SER 30 Ca 0.58 -0.92 -0.25 0.00 0.48 0.00 0.00 55.95 55.85 1tsj s SER 30 Cb 0.16 0.02 0.14 0.00 0.10 0.00 0.00 66.02 66.43 1tsj s SER 30 CO -0.06 -0.32 1.12 -0.70 0.98 0.00 0.00 173.24 174.25 1tsj s GLU 31 N -3.30 0.41 -0.36 4.02 2.12 -1.12 -4.92 118.70 115.56 1tsj s GLU 31 Ca 0.11 0.49 -0.29 0.00 0.36 0.00 0.00 54.97 55.64 1tsj s GLU 31 Cb 0.00 0.20 0.00 0.00 0.26 0.00 0.00 34.13 34.59 1tsj s GLU 31 CO -0.01 -0.05 1.37 0.42 -0.54 0.00 0.00 175.26 176.46 1tsj s ILE 32 N 0.23 3.99 -0.25 -3.70 1.01 -1.26 -0.99 121.20 120.23 1tsj s ILE 32 Ca 0.04 1.07 0.23 0.00 0.00 0.00 0.00 60.65 61.98 1tsj s ILE 32 Cb -0.05 -4.16 0.02 0.00 0.01 0.00 0.00 42.46 38.28 1tsj s ILE 32 CO -0.08 -0.62 1.08 0.16 0.00 0.00 0.00 174.94 175.48 1tsj h ILE 33 N 6.24 0.00 -2.68 2.92 -0.00 -0.87 -3.49 117.51 119.63 1tsj h ILE 33 Ca -0.27 -1.00 0.12 0.00 -0.00 0.00 0.00 64.86 63.71 1tsj h ILE 33 Cb 1.10 1.53 -0.06 0.00 -0.00 0.00 0.00 36.82 39.39 1tsj h ILE 33 CO 1.06 0.00 0.35 -0.89 -0.00 0.00 0.00 178.15 178.68 1tsj s THR 34 N -3.35 0.00 -0.30 0.16 2.01 -0.76 -4.92 115.64 108.48 1tsj s THR 34 Ca -0.00 -0.84 -0.17 0.00 0.31 0.00 0.00 61.69 60.99 1tsj s THR 34 Cb 0.09 -2.01 0.21 0.00 0.01 0.00 0.00 72.50 70.80 1tsj s THR 34 CO 0.78 0.00 1.27 0.00 -0.69 0.00 0.00 174.62 175.98 1tsj s ALA 36 N -3.60 -2.84 0.34 7.40 0.00 0.19 -0.91 121.76 122.34 1tsj s ALA 36 Ca 0.12 1.93 0.02 0.00 0.00 0.00 0.00 51.96 54.03 1tsj s ALA 36 Cb -0.04 -2.07 -0.02 0.00 0.00 0.00 0.00 23.12 20.98 1tsj s ALA 36 CO 0.05 -0.49 0.52 0.15 0.00 0.00 0.00 175.76 175.98 1tsj s LYS 37 N 1.32 3.35 0.09 0.00 -0.14 -1.26 0.12 119.74 123.21 1tsj s LYS 37 Ca -0.06 -0.55 -0.30 0.00 -1.36 0.00 0.00 55.97 53.70 1tsj s LYS 37 Cb -0.02 -2.71 -0.06 0.00 -1.68 0.00 0.00 37.83 33.36 1tsj s LYS 37 CO -0.11 0.12 1.13 0.71 -0.76 0.00 0.00 175.35 176.44 1tsj s TYR 38 N -2.27 3.52 -1.60 3.18 4.12 0.90 -4.71 117.35 120.51 1tsj s TYR 38 Ca 0.41 1.46 0.03 0.00 0.02 0.00 0.00 57.07 58.99 1tsj s TYR 38 Cb -0.10 -3.32 0.18 0.00 -1.52 0.00 0.00 41.96 37.20 1tsj s TYR 38 CO 0.34 -0.86 0.86 0.41 0.02 0.00 0.00 175.55 176.32 1tsj n GLY 39 N 2.79 -0.31 3.62 0.71 0.00 -1.26 -1.28 105.19 109.46 1tsj n GLY 39 Ca 0.06 -0.02 -0.65 0.00 0.00 0.00 0.00 46.02 45.42 1tsj n GLY 39 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1tsj n ASP 45 N -1.20 0.96 -4.77 1.61 9.92 -1.26 -4.68 116.55 117.13 1tsj n ASP 45 Ca 0.02 1.16 -0.38 0.00 -0.53 0.00 0.00 54.79 55.06 1tsj n ASP 45 Cb 0.02 -0.87 -0.05 0.00 -0.64 0.00 0.00 41.12 39.58 1tsj n ASP 45 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1tsj s PRO 46 N 2.38 4.54 0.00 -0.24 0.04 -1.26 -2.13 135.00 138.33 1tsj s PRO 46 Ca 1.00 1.54 0.00 0.00 0.04 0.00 0.00 61.00 63.58 1tsj s PRO 46 Cb -1.43 -2.93 0.00 0.00 0.04 0.00 0.00 34.50 30.18 1tsj s PRO 46 CO 0.76 0.19 0.00 0.41 0.04 0.00 0.00 177.00 178.40 1tsj n GLY 47 N 0.85 3.23 3.76 0.56 0.00 -0.40 -4.92 105.19 108.28 1tsj n GLY 47 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1tsj n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1tsj s THR 48 N -1.98 3.07 0.08 2.61 2.01 -0.91 -4.73 115.64 115.79 1tsj s THR 48 Ca 0.00 0.49 -0.30 0.00 0.31 0.00 0.00 61.69 62.19 1tsj s THR 48 Cb 0.00 -3.00 -0.05 0.00 0.01 0.00 0.00 72.50 69.45 1tsj s THR 48 CO 0.00 -0.32 1.04 -0.69 -0.69 0.00 0.00 174.62 173.97 1tsj s VAL 49 N -2.32 4.39 -0.24 3.82 1.01 -1.26 -0.07 120.40 125.73 1tsj s VAL 49 Ca 0.68 1.85 0.04 0.00 0.00 0.00 0.00 61.98 64.55 1tsj s VAL 49 Cb -0.22 -4.18 -0.18 0.00 0.00 0.00 0.00 36.38 31.80 1tsj s VAL 49 CO 0.43 0.22 -0.17 1.67 0.00 0.00 0.00 175.10 177.25 1tsj n GLN 50 N 3.27 0.66 -3.67 2.72 7.27 0.32 -0.55 117.38 127.39 1tsj n GLN 50 Ca 0.05 0.12 -0.09 0.00 0.07 0.00 0.00 57.00 57.15 1tsj n GLN 50 Cb 0.49 -1.50 -0.10 0.00 2.41 0.00 0.00 30.24 31.54 1tsj n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 1tsj s HIS 51 N -2.49 -0.76 -0.01 3.69 5.04 -0.77 -4.76 115.29 115.23 1tsj s HIS 51 Ca -0.29 1.51 0.03 0.00 -1.54 0.00 0.00 55.06 54.76 1tsj s HIS 51 Cb 0.08 0.33 -0.01 0.00 0.04 0.00 0.00 32.58 33.03 1tsj s HIS 51 CO 0.61 -0.44 -0.10 0.45 -2.34 0.00 0.00 174.74 172.92 1tsj s SER 52 N 2.04 1.22 -0.11 9.88 0.15 -0.73 0.55 113.70 126.71 1tsj s SER 52 Ca -0.06 -0.19 0.01 0.00 0.70 0.00 0.00 55.95 56.41 1tsj s SER 52 Cb -0.10 -0.15 0.02 0.00 -1.71 0.00 0.00 66.02 64.08 1tsj s SER 52 CO -0.14 0.12 -0.12 -0.63 1.20 0.00 0.00 173.24 173.68 1tsj s ILE 53 N -0.22 1.27 0.17 6.45 1.01 -0.09 -2.24 121.20 127.56 1tsj s ILE 53 Ca 0.04 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.21 1tsj s ILE 53 Cb -0.04 -1.20 -0.05 0.00 0.01 0.00 0.00 42.46 41.18 1tsj s ILE 53 CO -0.00 0.40 0.02 0.72 0.00 0.00 0.00 174.94 176.08 1tsj s PHE 54 N 1.22 1.18 0.05 3.97 -0.71 -0.92 -0.13 117.98 122.63 1tsj s PHE 54 Ca -0.03 -1.08 0.03 0.00 -1.04 0.00 0.00 56.93 54.81 1tsj s PHE 54 Cb -0.14 -0.67 -0.04 0.00 -1.21 0.00 0.00 43.02 40.96 1tsj s PHE 54 CO -0.04 -0.29 0.01 0.99 -1.34 0.00 0.00 175.22 174.55 1tsj s THR 55 N -3.75 4.12 -0.10 -4.49 2.01 -0.16 -0.93 115.64 112.34 1tsj s THR 55 Ca 0.26 -0.81 -0.03 0.00 0.31 0.00 0.00 61.69 61.41 1tsj s THR 55 Cb 0.07 -2.91 0.05 0.00 0.01 0.00 0.00 72.50 69.71 1tsj s THR 55 CO 0.05 0.22 0.11 -0.76 -0.69 0.00 0.00 174.62 173.55 1tsj s LEU 56 N -2.02 0.10 -1.50 4.42 1.43 0.16 -2.78 118.68 118.49 1tsj s LEU 56 Ca 0.24 -0.05 -0.12 0.00 -1.03 0.00 0.00 54.13 53.16 1tsj s LEU 56 Cb -0.12 0.01 0.08 0.00 0.03 0.00 0.00 46.19 46.19 1tsj s LEU 56 CO 0.15 -0.28 0.89 0.59 0.23 0.00 0.00 176.35 177.93 1tsj n ASN 57 N 5.30 -4.86 0.00 2.29 3.02 -1.19 -1.37 115.26 118.45 1tsj n ASN 57 Ca -0.05 -0.67 0.00 0.00 -0.03 0.00 0.00 54.58 53.84 1tsj n ASN 57 Cb 0.50 -3.89 0.00 0.00 -0.61 0.00 0.00 39.78 35.77 1tsj n ASN 57 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1tsj n GLY 58 N -1.61 0.40 3.62 7.41 0.00 -0.27 -4.85 105.19 109.89 1tsj n GLY 58 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1tsj n GLY 58 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tsj s GLN 59 N -0.59 3.44 -0.19 1.61 -0.21 -0.47 -5.04 119.66 118.22 1tsj s GLN 59 Ca 0.00 -0.42 -0.29 0.00 0.02 0.00 0.00 55.36 54.67 1tsj s GLN 59 Cb 0.00 -2.94 -0.00 0.00 1.00 0.00 0.00 33.01 31.07 1tsj s GLN 59 CO 0.00 0.46 1.13 0.08 -2.12 0.00 0.00 175.29 174.84 1tsj s VAL 60 N -0.21 4.51 0.00 1.09 1.01 -1.26 -0.67 120.40 124.87 1tsj s VAL 60 Ca 0.05 1.82 0.00 0.00 0.00 0.00 0.00 61.98 63.85 1tsj s VAL 60 Cb -0.12 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.08 1tsj s VAL 60 CO 0.02 -0.14 0.00 0.49 0.00 0.00 0.00 175.10 175.47 1tsj n PHE 61 N 6.28 0.00 -3.60 5.22 3.01 -0.11 -4.43 117.46 123.83 1tsj n PHE 61 Ca 0.12 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.51 1tsj n PHE 61 Cb 0.46 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.88 1tsj n PHE 61 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1tsj s ALA 63 N -2.00 -2.01 0.23 4.37 0.00 -0.95 -2.18 121.76 119.23 1tsj s ALA 63 Ca 0.00 1.71 0.00 0.00 0.00 0.00 0.00 51.96 53.67 1tsj s ALA 63 Cb 0.00 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 1tsj s ALA 63 CO 0.00 -0.27 0.12 0.96 0.00 0.00 0.00 175.76 176.57 1tsj s ILE 64 N -0.92 0.23 0.00 0.00 -4.36 -0.12 -1.77 121.20 114.27 1tsj s ILE 64 Ca 0.02 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.41 1tsj s ILE 64 Cb -0.01 -2.56 0.00 0.00 1.25 0.00 0.00 42.46 41.14 1tsj s ILE 64 CO -0.03 0.00 0.00 0.47 0.24 0.00 0.00 174.94 175.62 1tsj n ASP 65 N -0.40 0.00 0.03 4.36 9.92 0.28 -1.29 116.55 129.45 1tsj n ASP 65 Ca 0.01 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.26 1tsj n ASP 65 Cb 0.66 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 41.13 1tsj n ASP 65 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 1tsj h PRO 77 N 0.00 -0.11 -0.43 -0.24 0.11 -1.96 -0.42 132.00 128.94 1tsj h PRO 77 Ca 0.00 0.01 -0.25 0.00 0.11 0.00 0.00 66.00 65.87 1tsj h PRO 77 Cb 0.00 0.02 -0.34 0.00 0.11 0.00 0.00 31.00 30.80 1tsj h PRO 77 CO 0.00 -0.07 -0.93 1.51 -0.21 0.00 0.00 178.00 178.30 1tsj n ILE 78 N -3.16 0.90 -0.56 4.15 3.06 -1.25 -4.68 119.36 117.82 1tsj n ILE 78 Ca -0.01 -2.49 -0.10 0.00 -2.50 0.00 0.00 62.75 57.64 1tsj n ILE 78 Cb 0.04 1.11 0.10 0.00 0.54 0.00 0.00 39.64 41.44 1tsj n ILE 78 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 1tsj n SER 79 N -0.68 -2.74 -4.28 9.51 3.41 -0.66 -4.29 113.62 113.90 1tsj n SER 79 Ca 0.02 -0.30 -0.33 0.00 -0.26 0.00 0.00 58.87 58.00 1tsj n SER 79 Cb 0.82 -0.67 -0.15 0.00 -0.26 0.00 0.00 64.21 63.96 1tsj n SER 79 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1tsj s LEU 80 N 0.00 2.52 -0.34 1.04 1.43 -0.31 -0.98 118.68 122.05 1tsj s LEU 80 Ca 0.23 -0.45 -0.06 0.00 -1.03 0.00 0.00 54.13 52.82 1tsj s LEU 80 Cb -0.04 -1.58 0.04 0.00 0.03 0.00 0.00 46.19 44.64 1tsj s LEU 80 CO 0.19 0.09 0.09 0.12 0.23 0.00 0.00 176.35 177.07 1tsj s PHE 81 N 0.81 3.26 -0.35 0.29 5.36 0.26 0.13 117.98 127.73 1tsj s PHE 81 Ca -0.05 -1.48 -0.12 0.00 -0.96 0.00 0.00 56.93 54.32 1tsj s PHE 81 Cb -0.15 -2.27 0.00 0.00 -0.34 0.00 0.00 43.02 40.26 1tsj s PHE 81 CO 0.00 -0.74 0.22 0.08 -1.46 0.00 0.00 175.22 173.32 1tsj s VAL 82 N 1.39 4.94 -0.54 3.12 1.01 0.60 -0.62 120.40 130.30 1tsj s VAL 82 Ca -0.02 -0.49 -0.28 0.00 0.00 0.00 0.00 61.98 61.19 1tsj s VAL 82 Cb -0.20 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.58 1tsj s VAL 82 CO 0.02 -0.09 1.42 -0.89 0.00 0.00 0.00 175.10 175.56 1tsj s THR 83 N 1.65 3.80 0.19 3.92 2.01 -0.81 0.34 115.64 126.74 1tsj s THR 83 Ca 0.05 0.70 -0.23 0.00 0.31 0.00 0.00 61.69 62.51 1tsj s THR 83 Cb -0.18 -4.41 -0.08 0.00 0.01 0.00 0.00 72.50 67.84 1tsj s THR 83 CO 0.08 -1.12 0.76 -0.69 -0.69 0.00 0.00 174.62 172.96 1tsj s VAL 84 N 6.01 4.45 -0.01 3.82 1.01 -0.64 -4.82 120.40 130.21 1tsj s VAL 84 Ca 0.53 1.54 0.14 0.00 0.00 0.00 0.00 61.98 64.19 1tsj s VAL 84 Cb -0.11 -4.02 0.02 0.00 0.00 0.00 0.00 36.38 32.27 1tsj s VAL 84 CO 0.26 0.40 1.48 0.07 0.00 0.00 0.00 175.10 177.30 1tsj h LYS 85 N 3.96 0.00 -2.69 2.72 -0.00 -1.95 -3.40 116.57 115.21 1tsj h LYS 85 Ca -0.47 0.00 0.05 0.00 -0.00 0.00 0.00 60.65 60.23 1tsj h LYS 85 Cb 1.20 0.00 -0.12 0.00 -0.00 0.00 0.00 32.23 33.31 1tsj h LYS 85 CO 0.65 0.58 0.34 -0.51 -0.00 0.00 0.00 179.45 180.51 1tsj s ASP 86 N -6.52 -0.43 0.31 7.07 1.01 -1.26 -5.00 116.67 111.84 1tsj s ASP 86 Ca 0.02 -0.09 0.05 0.00 0.71 0.00 0.00 52.55 53.24 1tsj s ASP 86 Cb 0.09 0.53 0.70 0.00 1.01 0.00 0.00 42.92 45.24 1tsj s ASP 86 CO 0.75 -0.88 1.81 0.00 0.21 0.00 0.00 175.17 177.06 1tsj h THR 87 N 2.00 0.80 -0.08 -1.27 1.03 -2.02 -3.07 112.91 110.30 1tsj h THR 87 Ca -0.28 -0.28 -0.04 0.00 -0.01 0.00 0.00 66.41 65.80 1tsj h THR 87 Cb 1.27 -0.10 -0.00 0.00 -1.07 0.00 0.00 68.15 68.25 1tsj h THR 87 CO 0.33 0.15 -0.11 0.40 -0.01 0.00 0.00 175.52 176.28 1tsj h ILE 88 N 0.83 1.38 0.00 0.00 5.03 -2.02 -1.39 117.51 121.33 1tsj h ILE 88 Ca 0.53 -1.33 0.00 0.00 -0.12 0.00 0.00 64.86 63.94 1tsj h ILE 88 Cb 0.74 2.07 0.00 0.00 -3.03 0.00 0.00 36.82 36.60 1tsj h ILE 88 CO -0.31 0.37 0.00 -1.84 -0.68 0.00 0.00 178.15 175.69 1tsj n GLU 89 N -4.65 0.00 0.00 2.37 -0.00 -1.16 -1.46 120.64 115.75 1tsj n GLU 89 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.09 1tsj n GLU 89 Cb 0.34 -0.65 0.00 0.00 -0.00 0.00 0.00 31.44 31.13 1tsj n GLU 89 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1tsj n GLU 91 N 0.22 0.00 -0.12 3.44 -0.58 -0.53 -1.58 120.64 121.49 1tsj n GLU 91 Ca 0.00 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.67 1tsj n GLU 91 Cb 0.00 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1tsj n GLU 91 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1tsj h ARG 92 N 0.00 -0.20 -0.27 3.49 3.08 -1.54 0.47 114.38 119.41 1tsj h ARG 92 Ca 0.00 0.01 -0.15 0.00 0.07 0.00 0.00 59.98 59.92 1tsj h ARG 92 Cb 0.00 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1tsj h ARG 92 CO 0.00 -0.13 -0.41 -0.07 -1.07 0.00 0.00 179.97 178.29 1tsj h LEU 93 N -0.20 0.83 0.56 3.04 4.07 -1.56 -0.54 115.31 121.50 1tsj h LEU 93 Ca 0.19 -0.51 -0.02 0.00 0.08 0.00 0.00 57.88 57.62 1tsj h LEU 93 Cb 0.50 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.99 1tsj h LEU 93 CO -0.52 1.18 -0.48 0.15 -1.08 0.00 0.00 178.44 177.69 1tsj h PHE 94 N 0.51 -1.30 -0.48 1.13 3.57 -1.74 0.73 116.94 119.36 1tsj h PHE 94 Ca 0.03 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 1tsj h PHE 94 Cb 1.00 0.50 -0.02 0.00 2.79 0.00 0.00 35.95 40.21 1tsj h PHE 94 CO 0.08 -0.66 0.18 -0.91 -2.23 0.00 0.00 178.31 174.77 1tsj h ASN 95 N -1.02 0.62 -0.40 0.41 2.35 -0.91 -0.41 115.58 116.21 1tsj h ASN 95 Ca -0.07 -0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 1tsj h ASN 95 Cb 0.87 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.06 1tsj h ASN 95 CO -0.02 0.57 0.22 1.23 -1.65 0.00 0.00 177.43 177.78 1tsj h GLY 96 N 0.83 0.61 1.36 2.83 0.00 -0.74 -3.30 103.07 104.67 1tsj h GLY 96 Ca 0.16 -0.28 -0.20 0.00 0.00 0.00 0.00 47.33 47.02 1tsj h GLY 96 CO -0.01 0.27 -1.25 1.41 0.00 0.00 0.00 176.54 176.95 1tsj h LEU 97 N 0.52 0.00 -1.47 3.11 3.38 -0.55 -3.32 115.31 116.98 1tsj h LEU 97 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1tsj h LEU 97 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1tsj h LEU 97 CO -0.02 0.77 0.00 0.50 0.09 0.00 0.00 178.44 179.77 1tsj h LYS 98 N 0.00 0.00 -6.30 1.13 3.11 -1.15 -3.37 116.57 109.99 1tsj h LYS 98 Ca -0.14 0.00 -0.66 0.00 -2.81 0.00 0.00 60.65 57.04 1tsj h LYS 98 Cb 1.71 0.00 0.04 0.00 -1.00 0.00 0.00 32.23 32.98 1tsj h LYS 98 CO 0.08 0.00 0.70 -3.47 -2.81 0.00 0.00 179.45 173.94 1tsj n ASP 99 N -3.00 2.33 -1.84 4.20 -0.08 -1.25 0.50 116.55 117.41 1tsj n ASP 99 Ca 0.01 1.08 -0.06 0.00 -1.51 0.00 0.00 54.79 54.31 1tsj n ASP 99 Cb 0.28 -1.25 -0.01 0.00 2.34 0.00 0.00 41.12 42.48 1tsj n ASP 99 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1tsj n GLU 100 N 3.78 -1.91 -3.55 -0.67 1.02 -1.26 -3.55 120.64 114.51 1tsj n GLU 100 Ca 0.20 0.32 -0.21 0.00 -0.02 0.00 0.00 57.16 57.45 1tsj n GLU 100 Cb 0.21 -4.65 -0.03 0.00 -0.02 0.00 0.00 31.44 26.95 1tsj n GLU 100 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1tsj s GLY 101 N -1.77 2.10 -0.06 0.62 0.00 0.18 -4.13 107.32 104.25 1tsj s GLY 101 Ca 0.00 -1.85 -0.15 0.00 0.00 0.00 0.00 44.72 42.72 1tsj s GLY 101 CO 0.00 -1.68 0.38 0.00 0.00 0.00 0.00 173.10 171.80 1tsj s ALA 102 N -2.45 3.65 -0.44 3.20 0.00 0.77 -4.97 121.76 121.51 1tsj s ALA 102 Ca 0.48 -0.29 -0.19 0.00 0.00 0.00 0.00 51.96 51.96 1tsj s ALA 102 Cb -0.04 -2.41 0.03 0.00 0.00 0.00 0.00 23.12 20.70 1tsj s ALA 102 CO 0.28 0.32 0.56 0.42 0.00 0.00 0.00 175.76 177.34 1tsj s ILE 103 N -0.43 4.94 -1.89 0.00 1.01 -1.26 -0.05 121.20 123.52 1tsj s ILE 103 Ca 0.22 -0.16 0.31 0.00 0.00 0.00 0.00 60.65 61.02 1tsj s ILE 103 Cb -0.15 -4.15 0.73 0.00 0.01 0.00 0.00 42.46 38.90 1tsj s ILE 103 CO 0.10 -0.56 2.09 0.18 0.00 0.00 0.00 174.94 176.76 1tsj n LEU 104 N 5.98 0.23 -4.41 2.97 4.77 0.13 -4.96 117.00 121.70 1tsj n LEU 104 Ca -0.05 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.71 1tsj n LEU 104 Cb 0.47 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 41.40 1tsj n LEU 104 CO 0.51 0.04 -0.16 -2.16 -1.33 0.00 0.00 177.39 174.28 1tsj s PRO 106 N -2.18 1.83 0.08 3.23 0.04 -1.26 -4.93 135.00 131.81 1tsj s PRO 106 Ca 0.41 -2.09 -0.31 0.00 0.04 0.00 0.00 61.00 59.05 1tsj s PRO 106 Cb 0.21 -0.22 -0.09 0.00 0.04 0.00 0.00 34.50 34.45 1tsj s PRO 106 CO 0.40 -0.54 1.75 0.15 0.04 0.00 0.00 177.00 178.80 1tsj s LYS 107 N -3.63 4.17 -0.15 4.56 1.02 -1.26 -4.51 119.74 119.94 1tsj s LYS 107 Ca 0.31 2.46 -0.11 0.00 0.02 0.00 0.00 55.97 58.65 1tsj s LYS 107 Cb 0.03 -3.65 0.05 0.00 -0.52 0.00 0.00 37.83 33.73 1tsj s LYS 107 CO 0.19 -0.80 0.39 0.99 -0.92 0.00 0.00 175.35 175.20 1tsj s THR 108 N 2.86 -0.01 0.41 2.17 2.01 -0.66 -4.94 115.64 117.47 1tsj s THR 108 Ca 0.78 0.05 -0.10 0.00 0.31 0.00 0.00 61.69 62.73 1tsj s THR 108 Cb -0.42 -0.56 -0.06 0.00 0.01 0.00 0.00 72.50 71.46 1tsj s THR 108 CO 0.34 0.02 0.77 0.21 -0.69 0.00 0.00 174.62 175.28 1tsj s ASN 109 N 0.83 6.52 0.08 3.53 3.04 -1.26 -0.45 114.94 127.23 1tsj s ASN 109 Ca -0.05 1.14 0.06 0.00 0.04 0.00 0.00 52.86 54.05 1tsj s ASN 109 Cb -0.06 -2.33 -0.03 0.00 -1.54 0.00 0.00 41.25 37.30 1tsj s ASN 109 CO -0.06 -0.41 -0.16 -2.84 -3.04 0.00 0.00 177.10 170.59 1tsj s PRO 111 N -3.87 0.94 0.00 0.43 0.02 -1.26 -4.98 135.00 126.28 1tsj s PRO 111 Ca 0.51 -1.00 0.00 0.00 0.02 0.00 0.00 61.00 60.53 1tsj s PRO 111 Cb -0.10 -1.03 0.00 0.00 0.02 0.00 0.00 34.50 33.38 1tsj s PRO 111 CO 0.32 0.24 0.34 -0.35 -0.33 0.00 0.00 177.00 177.22 1tsj n PRO 112 N 1.30 0.56 -4.06 5.54 -0.04 -1.26 -5.08 135.00 131.95 1tsj n PRO 112 Ca -0.20 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.92 1tsj n PRO 112 Cb 0.54 -1.26 -0.07 0.00 -0.04 0.00 0.00 33.50 32.67 1tsj n PRO 112 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1tsj s TYR 113 N -0.66 3.38 0.30 0.54 1.51 -1.26 -4.77 117.35 116.39 1tsj s TYR 113 Ca 0.00 0.30 -0.01 0.00 -1.01 0.00 0.00 57.07 56.35 1tsj s TYR 113 Cb 0.00 -1.80 0.49 0.00 -0.11 0.00 0.00 41.96 40.53 1tsj s TYR 113 CO 0.00 0.59 1.95 -0.09 -1.11 0.00 0.00 175.55 176.89 1tsj h ARG 114 N 4.40 1.04 -2.72 -0.62 1.12 0.64 -3.46 114.38 114.78 1tsj h ARG 114 Ca -0.51 -0.06 -0.06 0.00 -1.11 0.00 0.00 59.98 58.24 1tsj h ARG 114 Cb 1.19 -0.24 -0.16 0.00 -0.01 0.00 0.00 29.97 30.76 1tsj h ARG 114 CO 0.61 0.69 0.05 -2.00 -3.11 0.00 0.00 179.97 176.21 1tsj s GLU 115 N -5.91 1.04 -0.13 0.20 2.12 -1.16 -4.19 118.70 110.67 1tsj s GLU 115 Ca -0.11 -0.20 -0.20 0.00 0.36 0.00 0.00 54.97 54.81 1tsj s GLU 115 Cb 0.19 0.48 0.05 0.00 0.26 0.00 0.00 34.13 35.10 1tsj s GLU 115 CO 0.79 -0.37 0.51 0.12 -0.54 0.00 0.00 175.26 175.78 1tsj s PHE 116 N -2.37 -0.51 0.07 5.30 5.36 0.40 -0.46 117.98 125.77 1tsj s PHE 116 Ca -0.06 1.11 -0.10 0.00 -0.96 0.00 0.00 56.93 56.92 1tsj s PHE 116 Cb -0.01 0.22 0.01 0.00 -0.34 0.00 0.00 43.02 42.90 1tsj s PHE 116 CO -0.01 -0.37 0.23 0.00 -1.46 0.00 0.00 175.22 173.61 1tsj s ALA 117 N -0.38 -0.41 -0.12 11.12 0.00 -0.09 -1.65 121.76 130.23 1tsj s ALA 117 Ca -0.05 -0.36 -0.03 0.00 0.00 0.00 0.00 51.96 51.51 1tsj s ALA 117 Cb -0.03 0.42 0.04 0.00 0.00 0.00 0.00 23.12 23.55 1tsj s ALA 117 CO 0.03 -0.46 0.05 -0.46 0.00 0.00 0.00 175.76 174.92 1tsj s TRP 118 N -3.28 0.42 -0.07 0.00 -0.11 -1.26 -1.06 118.94 113.58 1tsj s TRP 118 Ca 0.00 -0.22 0.03 0.00 1.22 0.00 0.00 56.10 57.13 1tsj s TRP 118 Cb 0.02 -0.72 0.01 0.00 -1.50 0.00 0.00 33.47 31.28 1tsj s TRP 118 CO -0.08 -0.40 -0.15 0.08 -4.62 0.00 0.00 176.95 171.79 1tsj s VAL 119 N 2.06 1.32 -0.20 5.86 1.01 -0.77 0.17 120.40 129.85 1tsj s VAL 119 Ca 0.03 -0.59 -0.16 0.00 0.00 0.00 0.00 61.98 61.27 1tsj s VAL 119 Cb -0.14 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 1tsj s VAL 119 CO -0.06 0.40 0.39 -1.58 0.00 0.00 0.00 175.10 174.24 1tsj s GLN 120 N 0.59 4.18 0.95 2.72 0.74 0.93 -1.35 119.66 128.43 1tsj s GLN 120 Ca -0.15 0.19 -0.15 0.00 0.05 0.00 0.00 55.36 55.29 1tsj s GLN 120 Cb -0.16 -3.53 0.20 0.00 1.10 0.00 0.00 33.01 30.62 1tsj s GLN 120 CO 0.05 -0.01 1.31 0.16 -0.55 0.00 0.00 175.29 176.24 1tsj s ASP 121 N 0.99 3.16 0.60 6.67 1.47 -0.95 -0.17 116.67 128.44 1tsj s ASP 121 Ca 0.19 0.21 0.31 0.00 1.18 0.00 0.00 52.55 54.44 1tsj s ASP 121 Cb -0.15 -0.26 1.86 0.00 -0.34 0.00 0.00 42.92 44.03 1tsj s ASP 121 CO 0.08 -2.70 2.27 0.07 0.68 0.00 0.00 175.17 175.56 1tsj h LYS 122 N -1.59 0.00 -0.14 2.11 2.10 -1.71 0.23 116.57 117.56 1tsj h LYS 122 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1tsj h LYS 122 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1tsj h LYS 122 CO 0.37 0.00 0.00 1.19 -2.00 0.00 0.00 179.45 179.01 1tsj n PHE 123 N -3.81 0.16 -0.11 0.07 3.01 -1.26 -4.96 117.46 110.56 1tsj n PHE 123 Ca -0.03 -0.08 0.00 0.00 1.01 0.00 0.00 57.45 58.35 1tsj n PHE 123 Cb 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.55 1tsj n PHE 123 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1tsj n GLY 124 N 1.30 0.54 3.80 1.37 0.00 0.80 -5.05 105.19 107.95 1tsj n GLY 124 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 1tsj n GLY 124 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1tsj s VAL 125 N -2.23 5.11 -0.05 1.61 1.01 -1.26 -4.77 120.40 119.82 1tsj s VAL 125 Ca 0.00 0.81 -0.20 0.00 0.00 0.00 0.00 61.98 62.60 1tsj s VAL 125 Cb 0.00 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 1tsj s VAL 125 CO 0.00 0.50 0.56 -0.44 0.00 0.00 0.00 175.10 175.72 1tsj s SER 126 N -0.49 6.87 -0.14 3.32 0.01 -1.26 -2.23 113.70 119.79 1tsj s SER 126 Ca 0.23 1.04 0.02 0.00 1.31 0.00 0.00 55.95 58.55 1tsj s SER 126 Cb -0.16 -2.34 0.00 0.00 0.21 0.00 0.00 66.02 63.74 1tsj s SER 126 CO 0.11 0.05 -0.20 -0.36 0.41 0.00 0.00 173.24 173.26 1tsj s PHE 127 N 0.15 2.69 -0.21 2.43 0.40 -0.46 -1.16 117.98 121.83 1tsj s PHE 127 Ca 0.30 -1.15 -0.09 0.00 -0.60 0.00 0.00 56.93 55.38 1tsj s PHE 127 Cb -0.17 -1.82 -0.05 0.00 0.51 0.00 0.00 43.02 41.49 1tsj s PHE 127 CO 0.15 -0.51 0.12 -0.65 0.70 0.00 0.00 175.22 175.03 1tsj s GLN 128 N 0.70 4.10 -0.27 0.44 -0.21 0.12 -1.84 119.66 122.70 1tsj s GLN 128 Ca -0.09 -0.26 -0.05 0.00 0.02 0.00 0.00 55.36 54.97 1tsj s GLN 128 Cb -0.16 -3.40 0.01 0.00 1.00 0.00 0.00 33.01 30.46 1tsj s GLN 128 CO 0.01 0.23 0.03 -0.51 -2.12 0.00 0.00 175.29 172.93 1tsj s LEU 129 N 0.54 3.55 -0.15 2.90 1.43 -0.22 0.22 118.68 126.95 1tsj s LEU 129 Ca 0.07 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.50 1tsj s LEU 129 Cb -0.12 -1.82 0.03 0.00 0.03 0.00 0.00 46.19 44.31 1tsj s LEU 129 CO 0.00 -0.14 -0.11 0.00 0.23 0.00 0.00 176.35 176.33 1tsj s ALA 130 N 1.47 1.70 -0.42 4.21 0.00 0.15 -0.91 121.76 127.96 1tsj s ALA 130 Ca 0.03 -0.86 -0.15 0.00 0.00 0.00 0.00 51.96 50.97 1tsj s ALA 130 Cb -0.17 -1.07 0.03 0.00 0.00 0.00 0.00 23.12 21.91 1tsj s ALA 130 CO 0.00 -0.53 0.34 -1.17 0.00 0.00 0.00 175.76 174.40 1tsj s LEU 131 N 1.55 5.12 0.07 0.00 0.20 0.39 -1.62 118.68 124.40 1tsj s LEU 131 Ca 0.03 -0.91 -0.24 0.00 0.69 0.00 0.00 54.13 53.70 1tsj s LEU 131 Cb -0.14 -2.20 -0.16 0.00 -0.43 0.00 0.00 46.19 43.26 1tsj s LEU 131 CO -0.09 -0.50 1.64 -0.65 -0.29 0.00 0.00 176.35 176.46 1tsj h PRO 132 N 8.66 -0.05 0.00 0.98 0.11 -1.85 0.71 132.00 140.56 1tsj h PRO 132 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1tsj h PRO 132 Cb 1.12 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1tsj h PRO 132 CO 0.76 0.06 0.00 -0.85 -0.21 0.00 0.00 178.00 177.76