#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jut n LYS 2 N 0.00 -2.07 -2.25 -1.58 4.81 -1.26 -5.09 118.16 110.72 3jut n LYS 2 Ca 0.00 1.84 -0.34 0.00 -0.87 0.00 0.00 58.31 58.94 3jut n LYS 2 Cb 0.00 -3.07 -0.00 0.00 0.02 0.00 0.00 35.03 31.98 3jut n LYS 2 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 3jut s PRO 3 N -0.82 3.45 0.35 1.64 0.02 -1.26 -4.92 135.00 133.45 3jut s PRO 3 Ca -0.09 1.39 0.07 0.00 0.02 0.00 0.00 61.00 62.39 3jut s PRO 3 Cb 0.01 -2.04 -0.07 0.00 0.02 0.00 0.00 34.50 32.42 3jut s PRO 3 CO 0.39 -0.73 -0.03 0.15 -0.33 0.00 0.00 177.00 176.45 3jut s LYS 4 N -3.57 1.78 0.09 5.54 1.02 0.12 -4.34 119.74 120.38 3jut s LYS 4 Ca 0.68 -1.95 0.05 0.00 0.02 0.00 0.00 55.97 54.77 3jut s LYS 4 Cb -0.19 -1.45 -0.04 0.00 -0.52 0.00 0.00 37.83 35.63 3jut s LYS 4 CO 0.29 0.02 -0.04 -0.51 -0.92 0.00 0.00 175.35 174.19 3jut s LEU 5 N -3.59 3.31 -0.32 3.17 1.43 -0.38 -0.48 118.68 121.83 3jut s LEU 5 Ca 0.33 -0.24 -0.07 0.00 -1.03 0.00 0.00 54.13 53.13 3jut s LEU 5 Cb 0.06 -2.05 0.02 0.00 0.03 0.00 0.00 46.19 44.25 3jut s LEU 5 CO 0.16 0.19 0.10 -0.76 0.23 0.00 0.00 176.35 176.27 3jut s LEU 6 N -2.19 4.13 -0.25 1.79 1.43 -1.26 -0.93 118.68 121.40 3jut s LEU 6 Ca 0.24 -0.92 -0.10 0.00 -1.03 0.00 0.00 54.13 52.31 3jut s LEU 6 Cb -0.11 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.17 3jut s LEU 6 CO 0.16 -0.27 0.14 -0.47 0.23 0.00 0.00 176.35 176.14 3jut s TYR 7 N 1.46 3.21 -0.24 0.29 5.04 -0.52 -0.01 117.35 126.58 3jut s TYR 7 Ca 0.01 0.02 -0.10 0.00 -2.44 0.00 0.00 57.07 54.56 3jut s TYR 7 Cb -0.18 -2.29 -0.05 0.00 0.35 0.00 0.00 41.96 39.79 3jut s TYR 7 CO 0.03 -0.12 0.14 0.00 -1.34 0.00 0.00 175.55 174.26 3jut h SER 9 N 7.71 0.00 -0.84 0.00 4.64 -1.75 -0.62 113.55 122.68 3jut h SER 9 Ca -0.37 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.52 3jut h SER 9 Cb 1.18 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.20 3jut h SER 9 CO 0.63 0.06 1.13 0.21 -0.87 0.00 0.00 176.83 177.98 3jut s ASN 10 N -5.77 5.72 0.00 4.97 2.47 -1.21 -3.66 114.94 117.46 3jut s ASN 10 Ca -0.00 -1.15 0.00 0.00 0.42 0.00 0.00 52.86 52.12 3jut s ASN 10 Cb 0.10 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.34 3jut s ASN 10 CO 0.55 -2.23 0.00 0.61 -3.72 0.00 0.00 177.10 172.30 3jut n GLY 11 N 6.68 2.37 0.76 1.21 0.00 -1.26 -4.23 105.19 110.72 3jut n GLY 11 Ca 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.40 3jut n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jut n GLY 12 N 0.00 0.82 3.77 -0.02 0.00 -0.27 -5.04 105.19 104.45 3jut n GLY 12 Ca 0.00 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 3jut n GLY 12 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3jut s HIS 13 N -2.45 3.13 0.05 1.61 3.76 -1.05 -4.54 115.29 115.81 3jut s HIS 13 Ca 0.00 0.02 -0.13 0.00 -0.15 0.00 0.00 55.06 54.80 3jut s HIS 13 Cb 0.00 -1.56 -0.06 0.00 1.11 0.00 0.00 32.58 32.07 3jut s HIS 13 CO 0.00 0.52 0.44 -0.06 -0.85 0.00 0.00 174.74 174.78 3jut s PHE 14 N -1.52 3.66 0.04 1.40 0.08 0.05 -0.08 117.98 121.62 3jut s PHE 14 Ca 0.29 0.95 -0.30 0.00 0.12 0.00 0.00 56.93 57.99 3jut s PHE 14 Cb -0.11 -2.27 -0.04 0.00 -0.57 0.00 0.00 43.02 40.03 3jut s PHE 14 CO 0.22 0.56 1.03 -1.17 -0.10 0.00 0.00 175.22 175.77 3jut s LEU 15 N -1.51 4.39 -0.08 -0.37 2.96 0.98 -1.41 118.68 123.65 3jut s LEU 15 Ca 0.29 1.78 0.05 0.00 -0.22 0.00 0.00 54.13 56.04 3jut s LEU 15 Cb -0.16 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 42.95 3jut s LEU 15 CO 0.16 -0.28 -0.24 -0.60 -1.32 0.00 0.00 176.35 174.07 3jut s ARG 16 N 0.81 2.80 -0.38 1.98 3.52 -0.13 -4.45 118.95 123.10 3jut s ARG 16 Ca 0.53 -0.89 -0.03 0.00 -0.13 0.00 0.00 55.73 55.21 3jut s ARG 16 Cb -0.24 -2.23 0.09 0.00 -1.56 0.00 0.00 34.95 31.02 3jut s ARG 16 CO 0.29 0.28 0.15 0.42 -0.81 0.00 0.00 175.30 175.62 3jut s ILE 17 N 0.10 3.23 0.56 4.11 1.01 -0.25 -2.84 121.20 127.12 3jut s ILE 17 Ca -0.11 -1.85 -0.18 0.00 0.00 0.00 0.00 60.65 58.50 3jut s ILE 17 Cb -0.16 -3.11 -0.05 0.00 0.01 0.00 0.00 42.46 39.15 3jut s ILE 17 CO 0.06 -0.52 1.11 -0.76 0.00 0.00 0.00 174.94 174.83 3jut s LEU 18 N 1.18 3.67 0.50 2.97 1.43 0.32 -4.85 118.68 123.90 3jut s LEU 18 Ca 0.05 2.09 0.26 0.00 -1.03 0.00 0.00 54.13 55.49 3jut s LEU 18 Cb -0.22 -4.57 1.34 0.00 0.03 0.00 0.00 46.19 42.77 3jut s LEU 18 CO -0.03 -1.25 1.90 -0.65 0.23 0.00 0.00 176.35 176.55 3jut h PRO 19 N 0.94 0.12 0.00 1.29 0.11 -1.98 -2.51 132.00 129.98 3jut h PRO 19 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3jut h PRO 19 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3jut h PRO 19 CO 0.57 0.08 0.00 -0.40 -0.21 0.00 0.00 178.00 178.04 3jut n ASP 20 N -4.37 0.00 0.00 -2.05 5.75 -1.26 -4.84 116.55 109.78 3jut n ASP 20 Ca 0.17 -0.20 0.00 0.00 -0.01 0.00 0.00 54.79 54.75 3jut n ASP 20 Cb 0.80 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 3jut n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3jut n GLY 21 N 1.25 2.67 3.71 6.12 0.00 -0.94 -4.97 105.19 113.02 3jut n GLY 21 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3jut n GLY 21 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3jut n THR 22 N -1.46 0.14 -5.12 2.61 -1.04 -1.26 -0.06 114.28 108.10 3jut n THR 22 Ca 0.00 -0.03 -0.32 0.00 -2.04 0.00 0.00 64.05 61.66 3jut n THR 22 Cb 0.00 -2.04 -0.16 0.00 -1.82 0.00 0.00 70.33 66.31 3jut n THR 22 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3jut s VAL 23 N 1.78 2.33 0.00 12.58 1.01 -1.26 -0.52 120.40 136.31 3jut s VAL 23 Ca 0.78 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.82 3jut s VAL 23 Cb -0.50 -1.90 0.00 0.00 0.00 0.00 0.00 36.38 33.98 3jut s VAL 23 CO 0.34 0.56 0.00 -0.90 0.00 0.00 0.00 175.10 175.10 3jut n ASP 24 N 3.32 0.00 -4.29 3.32 5.75 -1.13 -4.42 116.55 119.10 3jut n ASP 24 Ca -0.18 0.00 -0.16 0.00 -0.01 0.00 0.00 54.79 54.44 3jut n ASP 24 Cb 0.53 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.52 3jut n ASP 24 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3jut s GLY 25 N -0.17 1.27 -0.11 6.12 0.00 0.10 -0.96 107.32 113.58 3jut s GLY 25 Ca 0.00 -1.60 -0.09 0.00 0.00 0.00 0.00 44.72 43.03 3jut s GLY 25 CO 0.00 -1.64 0.28 -1.08 0.00 0.00 0.00 173.10 170.65 3jut s THR 26 N -3.29 -0.01 -0.71 0.90 -1.32 -0.50 -4.87 115.64 105.84 3jut s THR 26 Ca 0.21 0.03 0.21 0.00 -1.21 0.00 0.00 61.69 60.93 3jut s THR 26 Cb 0.03 -0.40 0.21 0.00 -1.51 0.00 0.00 72.50 70.83 3jut s THR 26 CO 0.04 0.01 1.66 0.54 -2.21 0.00 0.00 174.62 174.66 3jut n ARG 27 N 3.18 0.13 -2.38 7.08 1.74 -1.26 -0.77 116.66 124.37 3jut n ARG 27 Ca -0.15 0.31 -0.43 0.00 -0.77 0.00 0.00 57.85 56.81 3jut n ARG 27 Cb 0.57 -1.72 -0.02 0.00 -1.02 0.00 0.00 32.46 30.27 3jut n ARG 27 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3jut s ASP 28 N -3.79 6.59 0.35 0.55 2.15 -1.26 -4.90 116.67 116.35 3jut s ASP 28 Ca 0.07 1.18 0.24 0.00 0.43 0.00 0.00 52.55 54.47 3jut s ASP 28 Cb 0.10 -2.54 0.54 0.00 -0.30 0.00 0.00 42.92 40.73 3jut s ASP 28 CO 0.39 -1.15 1.68 -0.09 -0.17 0.00 0.00 175.17 175.82 3jut h ARG 29 N 9.65 0.00 -0.00 4.34 2.43 -2.01 -3.21 114.38 125.57 3jut h ARG 29 Ca -0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 3jut h ARG 29 Cb 1.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 3jut h ARG 29 CO 1.04 0.00 -0.02 0.43 -1.51 0.00 0.00 179.97 179.91 3jut n SER 30 N -2.76 0.18 -4.68 -3.80 7.64 -1.26 -4.90 113.62 104.04 3jut n SER 30 Ca 0.05 -0.70 -0.42 0.00 1.01 0.00 0.00 58.87 58.80 3jut n SER 30 Cb 0.49 -0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.56 3jut n SER 30 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3jut s ASP 31 N -2.26 6.95 0.49 6.43 2.15 -1.22 -4.92 116.67 124.30 3jut s ASP 31 Ca 0.38 1.92 0.33 0.00 0.43 0.00 0.00 52.55 55.61 3jut s ASP 31 Cb 0.21 -2.56 1.60 0.00 -0.30 0.00 0.00 42.92 41.87 3jut s ASP 31 CO 0.41 -0.66 1.99 1.56 -0.17 0.00 0.00 175.17 178.30 3jut h GLN 32 N 7.75 0.00 -0.32 4.34 1.08 -1.93 -3.06 115.11 122.96 3jut h GLN 32 Ca -0.35 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.85 3jut h GLN 32 Cb 1.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.59 3jut h GLN 32 CO 0.90 0.00 0.00 0.72 -0.95 0.00 0.00 178.83 179.50 3jut n HIS 33 N -2.75 0.42 0.89 2.96 8.25 -1.26 -3.75 115.22 119.97 3jut n HIS 33 Ca -0.01 -0.21 0.12 0.00 -0.26 0.00 0.00 57.72 57.37 3jut n HIS 33 Cb 0.16 0.00 0.20 0.00 1.12 0.00 0.00 29.99 31.47 3jut n HIS 33 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 3jut n ILE 34 N 0.94 0.15 -3.12 1.59 -5.35 -1.16 -1.09 119.36 111.33 3jut n ILE 34 Ca 0.18 -0.53 -0.41 0.00 -0.27 0.00 0.00 62.75 61.72 3jut n ILE 34 Cb 0.47 1.18 -0.07 0.00 -1.74 0.00 0.00 39.64 39.48 3jut n ILE 34 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3jut s GLN 35 N -1.85 3.86 0.14 6.28 -0.21 -1.25 -4.41 119.66 122.22 3jut s GLN 35 Ca 0.32 0.25 0.09 0.00 0.02 0.00 0.00 55.36 56.04 3jut s GLN 35 Cb 0.21 -3.74 -0.04 0.00 1.00 0.00 0.00 33.01 30.44 3jut s GLN 35 CO 0.31 -0.59 -0.21 -0.51 -2.12 0.00 0.00 175.29 172.16 3jut s LEU 36 N 2.61 2.37 -0.22 2.90 1.43 0.37 -1.61 118.68 126.54 3jut s LEU 36 Ca 0.25 -0.79 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 3jut s LEU 36 Cb -0.15 -0.96 0.03 0.00 0.03 0.00 0.00 46.19 45.14 3jut s LEU 36 CO 0.12 0.05 -0.13 -1.58 0.23 0.00 0.00 176.35 175.05 3jut s GLN 37 N -2.36 2.83 -0.46 1.70 0.74 0.58 0.13 119.66 122.82 3jut s GLN 37 Ca 0.13 -0.96 -0.17 0.00 0.05 0.00 0.00 55.36 54.41 3jut s GLN 37 Cb -0.08 -2.80 0.05 0.00 1.10 0.00 0.00 33.01 31.29 3jut s GLN 37 CO 0.06 -0.34 0.46 -0.51 -0.55 0.00 0.00 175.29 174.42 3jut s LEU 38 N 1.28 5.23 -0.07 3.68 1.43 -1.26 -0.56 118.68 128.41 3jut s LEU 38 Ca 0.01 -1.03 0.04 0.00 -1.03 0.00 0.00 54.13 52.11 3jut s LEU 38 Cb -0.16 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.77 3jut s LEU 38 CO -0.08 -0.68 -0.19 -0.94 0.23 0.00 0.00 176.35 174.69 3jut s SER 39 N 2.37 2.44 -0.26 2.29 1.04 -0.70 -4.99 113.70 115.89 3jut s SER 39 Ca 0.09 -0.42 -0.25 0.00 0.48 0.00 0.00 55.95 55.84 3jut s SER 39 Cb -0.21 -1.00 0.00 0.00 0.10 0.00 0.00 66.02 64.91 3jut s SER 39 CO 0.10 0.12 0.87 0.00 0.98 0.00 0.00 173.24 175.31 3jut s ALA 40 N 0.36 3.62 0.00 5.32 0.00 -1.26 -1.39 121.76 128.41 3jut s ALA 40 Ca -0.13 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.69 3jut s ALA 40 Cb -0.16 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.61 3jut s ALA 40 CO 0.05 -1.04 0.00 -1.91 0.00 0.00 0.00 175.76 172.86 3jut n GLU 41 N 6.16 0.00 -1.01 0.00 4.07 -1.14 -4.98 120.64 123.74 3jut n GLU 41 Ca 0.07 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.87 3jut n GLU 41 Cb 0.47 0.00 0.23 0.00 -0.06 0.00 0.00 31.44 32.08 3jut n GLU 41 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 3jut s SER 42 N -1.49 1.23 0.20 4.31 0.15 -1.26 -4.94 113.70 111.90 3jut s SER 42 Ca 0.00 0.86 -0.08 0.00 0.70 0.00 0.00 55.95 57.43 3jut s SER 42 Cb 0.00 -1.28 0.13 0.00 -1.71 0.00 0.00 66.02 63.16 3jut s SER 42 CO 0.00 -3.96 1.74 0.58 1.20 0.00 0.00 173.24 172.80 3jut h VAL 43 N -2.46 1.26 -0.84 4.45 2.07 -2.04 -2.95 116.25 115.74 3jut h VAL 43 Ca -0.49 -0.92 0.01 0.00 0.82 0.00 0.00 66.70 66.12 3jut h VAL 43 Cb 1.31 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 3jut h VAL 43 CO 0.42 0.36 0.55 1.23 0.02 0.00 0.00 177.57 180.16 3jut h GLY 44 N 1.10 1.18 -2.21 2.17 0.00 -1.94 -3.48 103.07 99.89 3jut h GLY 44 Ca 0.24 -0.43 -0.60 0.00 0.00 0.00 0.00 47.33 46.53 3jut h GLY 44 CO -0.01 0.42 -0.71 -0.54 0.00 0.00 0.00 176.54 175.71 3jut s GLU 45 N -5.93 1.87 0.02 4.80 2.02 -1.12 -2.19 118.70 118.18 3jut s GLU 45 Ca -0.12 -1.73 0.00 0.00 0.02 0.00 0.00 54.97 53.15 3jut s GLU 45 Cb 0.18 -1.85 -0.02 0.00 0.10 0.00 0.00 34.13 32.54 3jut s GLU 45 CO 0.79 0.28 -0.04 0.14 0.02 0.00 0.00 175.26 176.45 3jut s VAL 46 N -2.50 0.18 -0.05 2.63 -7.23 0.32 -2.87 120.40 110.88 3jut s VAL 46 Ca 0.31 -0.91 -0.13 0.00 -1.81 0.00 0.00 61.98 59.44 3jut s VAL 46 Cb -0.03 -0.31 -0.05 0.00 0.56 0.00 0.00 36.38 36.55 3jut s VAL 46 CO 0.17 -0.47 0.33 -0.31 -0.31 0.00 0.00 175.10 174.51 3jut s TYR 47 N -1.41 3.66 -0.27 2.82 2.02 -0.48 -1.62 117.35 122.06 3jut s TYR 47 Ca -0.15 0.83 -0.04 0.00 -0.37 0.00 0.00 57.07 57.34 3jut s TYR 47 Cb -0.10 -2.22 0.02 0.00 -0.40 0.00 0.00 41.96 39.26 3jut s TYR 47 CO -0.01 0.60 0.01 0.42 -1.57 0.00 0.00 175.55 175.00 3jut s ILE 48 N -0.81 3.45 -0.08 2.71 1.01 -1.26 -1.71 121.20 124.50 3jut s ILE 48 Ca 0.21 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 60.06 3jut s ILE 48 Cb -0.15 -2.75 0.01 0.00 0.01 0.00 0.00 42.46 39.57 3jut s ILE 48 CO 0.10 0.15 -0.16 -0.75 0.00 0.00 0.00 174.94 174.28 3jut s LYS 49 N 1.42 2.14 0.13 2.79 2.20 0.28 -1.12 119.74 127.58 3jut s LYS 49 Ca 0.02 -0.57 -0.33 0.00 -0.36 0.00 0.00 55.97 54.73 3jut s LYS 49 Cb -0.17 -1.70 -0.12 0.00 -1.51 0.00 0.00 37.83 34.33 3jut s LYS 49 CO -0.01 0.08 1.71 0.45 -0.36 0.00 0.00 175.35 177.22 3jut n SER 50 N 3.71 3.54 0.14 1.43 2.88 -0.57 -0.31 113.62 124.45 3jut n SER 50 Ca -0.22 1.04 0.12 0.00 -1.33 0.00 0.00 58.87 58.49 3jut n SER 50 Cb 0.52 -1.48 0.28 0.00 -0.75 0.00 0.00 64.21 62.78 3jut n SER 50 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 3jut h THR 51 N 4.13 0.00 0.03 2.46 1.35 -1.63 -1.44 112.91 117.81 3jut h THR 51 Ca -0.45 -0.69 -0.00 0.00 -0.55 0.00 0.00 66.41 64.71 3jut h THR 51 Cb 1.24 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.28 3jut h THR 51 CO 0.92 0.00 -0.01 -0.08 -0.25 0.00 0.00 175.52 176.10 3jut h GLU 52 N 0.00 -0.04 -0.00 4.72 4.57 -1.82 -3.42 114.58 118.59 3jut h GLU 52 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3jut h GLU 52 Cb 0.85 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.45 3jut h GLU 52 CO 0.00 0.65 -0.23 0.25 -1.18 0.00 0.00 179.01 178.50 3jut n THR 53 N -4.72 0.00 -1.41 0.32 -2.24 -1.25 -5.01 114.28 99.97 3jut n THR 53 Ca -0.08 -0.39 -0.11 0.00 -2.27 0.00 0.00 64.05 61.21 3jut n THR 53 Cb 0.34 1.01 -0.04 0.00 -2.10 0.00 0.00 70.33 69.54 3jut n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jut n GLY 54 N 1.06 1.08 3.88 3.38 0.00 -0.54 -5.00 105.19 109.05 3jut n GLY 54 Ca 0.01 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.21 3jut n GLY 54 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jut s GLN 55 N -3.09 3.63 -0.17 1.61 -0.21 -1.26 -4.84 119.66 115.33 3jut s GLN 55 Ca 0.00 0.63 -0.01 0.00 0.02 0.00 0.00 55.36 56.00 3jut s GLN 55 Cb 0.00 -2.17 -0.01 0.00 1.00 0.00 0.00 33.01 31.83 3jut s GLN 55 CO 0.00 -0.44 -0.10 0.71 -2.12 0.00 0.00 175.29 173.34 3jut s TYR 56 N -3.00 2.87 0.19 0.91 1.51 0.70 -1.52 117.35 119.01 3jut s TYR 56 Ca 0.53 -0.81 -0.33 0.00 -1.01 0.00 0.00 57.07 55.46 3jut s TYR 56 Cb -0.11 -1.94 -0.13 0.00 -0.11 0.00 0.00 41.96 39.67 3jut s TYR 56 CO 0.49 -0.37 1.66 -0.11 -1.11 0.00 0.00 175.55 176.11 3jut n LEU 57 N 4.05 3.57 -3.86 -1.29 7.94 -0.28 0.27 117.00 127.41 3jut n LEU 57 Ca -0.18 1.07 -0.10 0.00 -1.11 0.00 0.00 56.01 55.68 3jut n LEU 57 Cb 0.52 -1.50 -0.09 0.00 0.53 0.00 0.00 43.42 42.88 3jut n LEU 57 CO 0.30 -0.04 -0.12 0.00 -1.11 0.00 0.00 177.39 176.42 3jut s ALA 58 N 1.05 -0.33 -0.04 1.96 0.00 -0.50 -4.23 121.76 119.67 3jut s ALA 58 Ca 0.77 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 52.45 3jut s ALA 58 Cb -0.59 0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.81 3jut s ALA 58 CO 0.35 -0.34 -0.04 1.41 0.00 0.00 0.00 175.76 177.14 3jut s MET 59 N -2.41 0.79 0.68 0.00 1.75 0.45 -0.48 119.30 120.07 3jut s MET 59 Ca -0.06 -0.09 -0.04 0.00 -1.25 0.00 0.00 55.69 54.24 3jut s MET 59 Cb -0.02 -0.81 0.07 0.00 2.84 0.00 0.00 34.83 36.91 3jut s MET 59 CO -0.03 -0.08 0.96 0.16 -0.65 0.00 0.00 175.02 175.38 3jut s ASP 60 N 0.91 4.79 0.00 1.11 1.47 -0.21 -4.74 116.67 120.00 3jut s ASP 60 Ca -0.11 0.21 0.00 0.00 1.18 0.00 0.00 52.55 53.82 3jut s ASP 60 Cb -0.14 -0.86 0.00 0.00 -0.34 0.00 0.00 42.92 41.58 3jut s ASP 60 CO 0.00 -1.56 0.34 0.35 0.68 0.00 0.00 175.17 174.98 3jut n THR 61 N -2.79 0.00 -0.25 2.11 -2.24 -1.26 -0.46 114.28 109.39 3jut n THR 61 Ca 0.09 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.89 3jut n THR 61 Cb 0.60 -0.85 0.03 0.00 -2.10 0.00 0.00 70.33 68.01 3jut n THR 61 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3jut n ASP 62 N -0.84 2.05 0.00 3.42 9.92 -1.26 -4.99 116.55 124.85 3jut n ASP 62 Ca 0.00 -2.23 0.00 0.00 -0.53 0.00 0.00 54.79 52.03 3jut n ASP 62 Cb 0.00 -0.09 0.00 0.00 -0.64 0.00 0.00 41.12 40.39 3jut n ASP 62 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3jut n GLY 63 N -0.70 0.58 3.77 0.44 0.00 0.39 -4.58 105.19 105.10 3jut n GLY 63 Ca 0.03 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 3jut n GLY 63 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3jut s LEU 64 N 0.00 4.30 0.07 0.99 0.20 -1.26 0.26 118.68 123.24 3jut s LEU 64 Ca 0.00 0.51 -0.22 0.00 0.69 0.00 0.00 54.13 55.11 3jut s LEU 64 Cb 0.00 -2.30 -0.06 0.00 -0.43 0.00 0.00 46.19 43.40 3jut s LEU 64 CO 0.00 0.20 0.65 -0.76 -0.29 0.00 0.00 176.35 176.15 3jut s LEU 65 N -0.04 4.50 0.22 -0.68 1.43 -1.26 -1.04 118.68 121.81 3jut s LEU 65 Ca 0.16 1.35 -0.08 0.00 -1.03 0.00 0.00 54.13 54.53 3jut s LEU 65 Cb -0.13 -3.04 -0.02 0.00 0.03 0.00 0.00 46.19 43.03 3jut s LEU 65 CO 0.04 0.17 0.33 -0.72 0.23 0.00 0.00 176.35 176.40 3jut s TYR 66 N -0.71 0.65 -0.33 0.29 -0.85 0.36 -4.47 117.35 112.30 3jut s TYR 66 Ca 0.32 -0.97 -0.11 0.00 -0.52 0.00 0.00 57.07 55.80 3jut s TYR 66 Cb -0.20 -0.11 0.00 0.00 0.38 0.00 0.00 41.96 42.03 3jut s TYR 66 CO 0.21 -0.83 0.18 0.20 -1.52 0.00 0.00 175.55 173.79 3jut s GLY 67 N -3.06 1.90 -0.18 5.49 0.00 0.92 -1.41 107.32 110.98 3jut s GLY 67 Ca 0.28 -1.47 -0.07 0.00 0.00 0.00 0.00 44.72 43.45 3jut s GLY 67 CO 0.09 0.75 0.05 -0.45 0.00 0.00 0.00 173.10 173.54 3jut s SER 68 N 1.62 5.54 0.34 1.64 0.15 0.14 -4.44 113.70 118.68 3jut s SER 68 Ca 0.04 0.05 0.09 0.00 0.70 0.00 0.00 55.95 56.84 3jut s SER 68 Cb -0.18 -1.95 0.61 0.00 -1.71 0.00 0.00 66.02 62.80 3jut s SER 68 CO 0.07 0.17 1.78 1.56 1.20 0.00 0.00 173.24 178.02 3jut h GLN 69 N 6.75 0.15 -6.04 5.44 4.20 -1.89 2.07 115.11 125.78 3jut h GLN 69 Ca -0.36 -0.06 -0.68 0.00 0.06 0.00 0.00 58.65 57.61 3jut h GLN 69 Cb 1.17 -0.01 -0.20 0.00 0.30 0.00 0.00 27.48 28.74 3jut h GLN 69 CO 0.69 0.48 -0.70 0.95 -0.67 0.00 0.00 178.83 179.58 3jut s THR 70 N -4.26 3.62 0.46 -0.54 -4.23 -1.26 -4.71 115.64 104.71 3jut s THR 70 Ca -0.04 -0.50 -0.25 0.00 -1.18 0.00 0.00 61.69 59.72 3jut s THR 70 Cb 0.14 -2.48 -0.08 0.00 1.34 0.00 0.00 72.50 71.42 3jut s THR 70 CO 0.75 0.58 1.41 -2.16 -0.54 0.00 0.00 174.62 174.66 3jut s PRO 71 N -0.63 3.64 0.22 3.99 0.04 -1.26 -4.88 135.00 136.13 3jut s PRO 71 Ca 0.09 2.37 -0.13 0.00 0.04 0.00 0.00 61.00 63.37 3jut s PRO 71 Cb -0.12 -2.61 0.05 0.00 0.04 0.00 0.00 34.50 31.86 3jut s PRO 71 CO 0.02 -0.84 0.66 0.27 0.04 0.00 0.00 177.00 177.15 3jut n ASN 72 N -0.28 -1.51 -0.09 6.66 2.04 -1.26 -5.04 115.26 115.78 3jut n ASN 72 Ca 0.06 -1.95 0.18 0.00 -0.44 0.00 0.00 54.58 52.42 3jut n ASN 72 Cb 0.42 2.49 0.59 0.00 -2.53 0.00 0.00 39.78 40.76 3jut n ASN 72 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 3jut h GLU 73 N 0.00 0.21 -0.01 -3.83 4.81 -2.00 -2.30 114.58 111.46 3jut h GLU 73 Ca -0.23 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 3jut h GLU 73 Cb 0.90 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.23 3jut h GLU 73 CO 0.29 0.14 -0.09 0.39 -0.73 0.00 0.00 179.01 179.01 3jut n GLU 74 N -4.43 1.12 -0.12 1.92 1.02 -1.26 -3.73 120.64 115.16 3jut n GLU 74 Ca 0.12 -0.54 0.11 0.00 -0.02 0.00 0.00 57.16 56.83 3jut n GLU 74 Cb 0.57 -1.49 0.30 0.00 -0.02 0.00 0.00 31.44 30.81 3jut n GLU 74 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3jut s LEU 76 N -1.51 4.24 -0.01 0.00 2.96 -1.24 -4.41 118.68 118.71 3jut s LEU 76 Ca 0.34 0.29 0.04 0.00 -0.22 0.00 0.00 54.13 54.58 3jut s LEU 76 Cb 0.19 -2.11 -0.01 0.00 0.50 0.00 0.00 46.19 44.76 3jut s LEU 76 CO 0.28 0.21 -0.15 -0.36 -1.32 0.00 0.00 176.35 175.01 3jut s PHE 77 N 0.16 1.32 -0.24 5.38 0.08 -0.64 -1.88 117.98 122.15 3jut s PHE 77 Ca 0.10 -0.26 -0.24 0.00 0.12 0.00 0.00 56.93 56.65 3jut s PHE 77 Cb -0.11 -0.85 -0.01 0.00 -0.57 0.00 0.00 43.02 41.48 3jut s PHE 77 CO -0.01 -0.03 0.80 -0.51 -0.10 0.00 0.00 175.22 175.38 3jut s LEU 78 N -0.31 4.08 -0.23 -0.37 1.43 0.95 -0.53 118.68 123.71 3jut s LEU 78 Ca 0.05 1.00 -0.18 0.00 -1.03 0.00 0.00 54.13 53.97 3jut s LEU 78 Cb -0.06 -3.15 -0.03 0.00 0.03 0.00 0.00 46.19 42.98 3jut s LEU 78 CO -0.00 -0.49 0.50 -0.70 0.23 0.00 0.00 176.35 175.89 3jut s GLU 79 N 2.77 4.13 0.00 1.70 2.12 -0.93 -2.41 118.70 126.07 3jut s GLU 79 Ca 0.34 0.34 0.04 0.00 0.36 0.00 0.00 54.97 56.05 3jut s GLU 79 Cb -0.15 -3.60 -0.01 0.00 0.26 0.00 0.00 34.13 30.62 3jut s GLU 79 CO 0.08 -0.24 -0.12 1.03 -0.54 0.00 0.00 175.26 175.47 3jut s ARG 80 N 1.93 0.90 -0.16 4.30 1.81 -0.98 -4.89 118.95 121.86 3jut s ARG 80 Ca 0.22 -0.48 -0.14 0.00 -1.72 0.00 0.00 55.73 53.61 3jut s ARG 80 Cb -0.15 -0.87 -0.05 0.00 -0.45 0.00 0.00 34.95 33.43 3jut s ARG 80 CO 0.09 0.23 0.32 -1.17 -0.68 0.00 0.00 175.30 174.09 3jut s LEU 81 N -0.47 4.23 0.00 2.53 2.96 -1.26 -1.83 118.68 124.84 3jut s LEU 81 Ca 0.03 0.52 0.05 0.00 -0.22 0.00 0.00 54.13 54.52 3jut s LEU 81 Cb -0.05 -2.41 0.07 0.00 0.50 0.00 0.00 46.19 44.30 3jut s LEU 81 CO -0.00 0.07 0.58 -0.62 -1.32 0.00 0.00 176.35 175.06 3jut n GLU 82 N 3.71 0.61 -0.04 1.98 1.02 -0.36 -4.98 120.64 122.57 3jut n GLU 82 Ca -0.11 -2.11 -0.05 0.00 -0.02 0.00 0.00 57.16 54.87 3jut n GLU 82 Cb 0.52 -0.22 0.16 0.00 -0.02 0.00 0.00 31.44 31.88 3jut n GLU 82 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 3jut h GLU 83 N 0.00 0.63 0.00 3.49 4.57 -1.99 -2.24 114.58 119.05 3jut h GLU 83 Ca -0.19 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 57.76 3jut h GLU 83 Cb 0.86 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.40 3jut h GLU 83 CO 0.26 0.78 0.00 -1.71 -1.18 0.00 0.00 179.01 177.17 3jut n ASN 84 N -4.14 0.00 -1.35 1.04 4.05 -1.26 -4.91 115.26 108.69 3jut n ASN 84 Ca 0.00 -1.71 -0.11 0.00 0.45 0.00 0.00 54.58 53.21 3jut n ASN 84 Cb 0.39 0.00 -0.00 0.00 1.23 0.00 0.00 39.78 41.40 3jut n ASN 84 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 3jut n HIS 85 N -0.61 -0.63 -3.09 1.20 8.25 -0.84 -5.03 115.22 114.46 3jut n HIS 85 Ca 0.05 0.06 -0.29 0.00 -0.26 0.00 0.00 57.72 57.28 3jut n HIS 85 Cb 0.02 -2.63 -0.03 0.00 1.12 0.00 0.00 29.99 28.48 3jut n HIS 85 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3jut s TYR 86 N -2.62 3.48 0.03 4.41 2.02 -1.26 -4.91 117.35 118.50 3jut s TYR 86 Ca 0.03 0.82 -0.15 0.00 -0.37 0.00 0.00 57.07 57.40 3jut s TYR 86 Cb -0.01 -2.26 -0.06 0.00 -0.40 0.00 0.00 41.96 39.23 3jut s TYR 86 CO 0.04 0.03 0.45 -0.80 -1.57 0.00 0.00 175.55 173.70 3jut s ASN 87 N -3.22 6.86 0.29 2.29 0.01 0.21 -1.23 114.94 120.14 3jut s ASN 87 Ca 0.47 1.02 0.10 0.00 -0.71 0.00 0.00 52.86 53.74 3jut s ASN 87 Cb -0.10 -2.27 -0.06 0.00 0.41 0.00 0.00 41.25 39.23 3jut s ASN 87 CO 0.31 0.29 -0.13 0.42 -1.51 0.00 0.00 177.10 176.48 3jut s THR 88 N -1.13 2.14 -0.06 1.60 -4.23 -0.76 0.32 115.64 113.53 3jut s THR 88 Ca 0.26 -2.26 -0.02 0.00 -1.18 0.00 0.00 61.69 58.49 3jut s THR 88 Cb -0.17 -2.41 0.03 0.00 1.34 0.00 0.00 72.50 71.30 3jut s THR 88 CO 0.15 -0.34 0.07 -0.31 -0.54 0.00 0.00 174.62 173.65 3jut s TYR 89 N -2.70 0.06 0.14 3.99 1.51 -1.26 -2.32 117.35 116.78 3jut s TYR 89 Ca 0.30 0.21 0.11 0.00 -1.01 0.00 0.00 57.07 56.68 3jut s TYR 89 Cb -0.00 -0.49 -0.04 0.00 -0.11 0.00 0.00 41.96 41.31 3jut s TYR 89 CO 0.14 -0.23 -0.24 0.96 -1.11 0.00 0.00 175.55 175.07 3jut s ILE 90 N 2.17 2.41 0.06 2.71 -4.36 -1.01 -1.21 121.20 121.96 3jut s ILE 90 Ca 0.05 -1.77 -0.31 0.00 -0.26 0.00 0.00 60.65 58.36 3jut s ILE 90 Cb -0.12 -2.10 -0.07 0.00 1.25 0.00 0.00 42.46 41.42 3jut s ILE 90 CO -0.04 0.04 1.38 -0.55 0.24 0.00 0.00 174.94 176.01 3jut s SER 91 N -2.22 6.86 0.10 4.36 0.15 -0.17 -0.03 113.70 122.75 3jut s SER 91 Ca 0.16 2.20 -0.25 0.00 0.70 0.00 0.00 55.95 58.76 3jut s SER 91 Cb -0.10 -2.57 -0.11 0.00 -1.71 0.00 0.00 66.02 61.53 3jut s SER 91 CO 0.08 -0.66 1.68 0.50 1.20 0.00 0.00 173.24 176.04 3jut h LYS 92 N 7.28 -0.27 -0.97 5.44 3.64 -1.71 -1.30 116.57 128.69 3jut h LYS 92 Ca -0.40 0.02 0.25 0.00 -1.27 0.00 0.00 60.65 59.24 3jut h LYS 92 Cb 1.20 0.06 -0.13 0.00 -0.41 0.00 0.00 32.23 32.95 3jut h LYS 92 CO 0.88 -0.18 0.52 -0.22 -2.27 0.00 0.00 179.45 178.17 3jut h LYS 93 N -0.28 0.47 -0.62 1.90 3.64 -1.81 -2.28 116.57 117.59 3jut h LYS 93 Ca 0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3jut h LYS 93 Cb 0.29 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3jut h LYS 93 CO -0.06 0.31 0.00 0.72 -2.27 0.00 0.00 179.45 178.15 3jut n HIS 94 N -4.97 0.91 -0.31 1.91 8.25 -1.03 -4.78 115.22 115.21 3jut n HIS 94 Ca 0.26 -0.52 0.15 0.00 -0.26 0.00 0.00 57.72 57.35 3jut n HIS 94 Cb 0.75 -0.04 0.31 0.00 1.12 0.00 0.00 29.99 32.13 3jut n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3jut h ALA 95 N 3.63 1.31 -0.62 -1.41 0.00 -0.63 -2.37 119.26 119.17 3jut h ALA 95 Ca 0.00 0.27 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 3jut h ALA 95 Cb 0.99 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 3jut h ALA 95 CO 0.03 -0.55 0.09 1.05 0.00 0.00 0.00 179.25 179.87 3jut h GLU 96 N 0.12 1.04 -1.00 0.00 9.09 -1.86 -1.93 114.58 120.02 3jut h GLU 96 Ca 0.59 -0.28 -0.09 0.00 0.05 0.00 0.00 59.36 59.63 3jut h GLU 96 Cb 1.25 -0.12 -0.05 0.00 -1.65 0.00 0.00 28.75 28.18 3jut h GLU 96 CO -0.75 0.97 0.11 1.63 0.05 0.00 0.00 179.01 181.02 3jut n LYS 97 N -4.26 1.21 -1.54 1.06 5.02 -0.89 -4.93 118.16 113.82 3jut n LYS 97 Ca 0.03 -0.50 -0.03 0.00 -2.02 0.00 0.00 58.31 55.80 3jut n LYS 97 Cb 0.29 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 3jut n LYS 97 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3jut n ASN 98 N 0.23 -0.37 -4.56 4.39 4.13 -0.73 -4.92 115.26 113.43 3jut n ASN 98 Ca 0.10 -0.03 -0.39 0.00 1.68 0.00 0.00 54.58 55.94 3jut n ASN 98 Cb 0.69 -0.11 -0.11 0.00 -1.54 0.00 0.00 39.78 38.72 3jut n ASN 98 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 3jut s TRP 99 N -0.60 3.22 0.12 3.10 0.52 -1.26 -4.76 118.94 119.29 3jut s TRP 99 Ca 0.02 -0.02 -0.01 0.00 0.02 0.00 0.00 56.10 56.11 3jut s TRP 99 Cb -0.00 -2.44 -0.04 0.00 -1.15 0.00 0.00 33.47 29.83 3jut s TRP 99 CO 0.06 -0.26 0.30 -0.06 0.02 0.00 0.00 176.95 177.02 3jut s PHE 100 N 1.76 3.49 0.01 -1.98 0.40 -1.26 -1.00 117.98 119.41 3jut s PHE 100 Ca 0.07 0.33 -0.30 0.00 -0.60 0.00 0.00 56.93 56.43 3jut s PHE 100 Cb -0.17 -1.83 -0.05 0.00 0.51 0.00 0.00 43.02 41.48 3jut s PHE 100 CO 0.11 0.49 1.24 0.08 0.70 0.00 0.00 175.22 177.84 3jut s VAL 101 N -1.66 4.04 -0.11 -0.44 1.01 -0.35 -4.34 120.40 118.55 3jut s VAL 101 Ca 0.37 1.42 -0.23 0.00 0.00 0.00 0.00 61.98 63.55 3jut s VAL 101 Cb -0.12 -3.91 0.05 0.00 0.00 0.00 0.00 36.38 32.40 3jut s VAL 101 CO 0.27 0.05 0.56 -0.83 0.00 0.00 0.00 175.10 175.15 3jut s GLY 102 N 1.37 -0.43 -0.14 4.51 0.00 -1.26 -4.52 107.32 106.85 3jut s GLY 102 Ca 0.59 1.23 -0.01 0.00 0.00 0.00 0.00 44.72 46.53 3jut s GLY 102 CO 0.26 0.96 -0.10 1.08 0.00 0.00 0.00 173.10 175.30 3jut s LEU 103 N -0.62 2.85 1.01 0.66 1.43 -0.65 -1.79 118.68 121.57 3jut s LEU 103 Ca -0.07 -0.29 -0.12 0.00 -1.03 0.00 0.00 54.13 52.62 3jut s LEU 103 Cb -0.03 -1.66 0.15 0.00 0.03 0.00 0.00 46.19 44.68 3jut s LEU 103 CO 0.05 0.15 0.79 0.29 0.23 0.00 0.00 176.35 177.86 3jut n LYS 104 N 3.63 -1.00 0.14 1.70 5.02 0.22 -4.58 118.16 123.29 3jut n LYS 104 Ca -0.18 -0.25 0.18 0.00 -2.02 0.00 0.00 58.31 56.05 3jut n LYS 104 Cb 0.52 -2.11 0.77 0.00 -0.02 0.00 0.00 35.03 34.19 3jut n LYS 104 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3jut h LYS 105 N -2.01 0.00 -0.14 1.97 1.57 -1.86 -2.23 116.57 113.87 3jut h LYS 105 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3jut h LYS 105 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 3jut h LYS 105 CO 0.41 0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.56 3jut n ASN 106 N -3.95 2.79 0.00 0.86 0.23 -1.26 -4.63 115.26 109.30 3jut n ASN 106 Ca 0.04 -1.90 0.00 0.00 -0.53 0.00 0.00 54.58 52.19 3jut n ASN 106 Cb 0.44 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 38.06 3jut n ASN 106 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3jut n GLY 107 N 1.35 2.95 3.89 4.83 0.00 -0.84 -5.00 105.19 112.37 3jut n GLY 107 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3jut n GLY 107 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3jut s SER 108 N -1.28 6.48 0.23 1.61 1.04 -1.26 0.03 113.70 120.54 3jut s SER 108 Ca 0.00 1.01 -0.31 0.00 0.48 0.00 0.00 55.95 57.14 3jut s SER 108 Cb 0.00 -2.27 -0.10 0.00 0.10 0.00 0.00 66.02 63.74 3jut s SER 108 CO 0.00 -0.37 1.52 0.00 0.98 0.00 0.00 173.24 175.37 3jut s LYS 110 N 0.16 3.76 0.42 0.00 -0.14 -0.74 -4.71 119.74 118.48 3jut s LYS 110 Ca 0.64 2.12 -0.24 0.00 -1.36 0.00 0.00 55.97 57.13 3jut s LYS 110 Cb -0.44 -2.60 -0.09 0.00 -1.68 0.00 0.00 37.83 33.03 3jut s LYS 110 CO 0.40 -0.65 1.08 1.03 -0.76 0.00 0.00 175.35 176.44 3jut s ARG 111 N -2.46 4.05 0.28 1.68 0.52 -1.26 -4.62 118.95 117.13 3jut s ARG 111 Ca 0.61 1.57 -0.06 0.00 -0.52 0.00 0.00 55.73 57.33 3jut s ARG 111 Cb -0.37 -2.49 0.50 0.00 0.52 0.00 0.00 34.95 33.11 3jut s ARG 111 CO 0.47 -0.26 1.51 0.41 0.02 0.00 0.00 175.30 177.44 3jut n GLY 112 N 0.33 -1.56 0.04 -3.53 0.00 0.74 -1.19 105.19 100.03 3jut n GLY 112 Ca 0.06 1.02 0.05 0.00 0.00 0.00 0.00 46.02 47.15 3jut n GLY 112 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3jut n PRO 113 N -5.55 0.04 0.00 1.61 -0.02 -1.26 -2.75 135.00 127.08 3jut n PRO 113 Ca 0.17 0.44 0.06 0.00 -2.02 0.00 0.00 63.50 62.15 3jut n PRO 113 Cb 0.53 -1.62 -0.00 0.00 -0.02 0.00 0.00 33.50 32.39 3jut n PRO 113 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3jut n ARG 114 N -1.71 1.91 -2.73 -0.52 5.12 -0.33 -4.94 116.66 113.46 3jut n ARG 114 Ca 0.01 -0.69 -0.36 0.00 -1.93 0.00 0.00 57.85 54.89 3jut n ARG 114 Cb 0.08 -1.17 -0.06 0.00 -1.16 0.00 0.00 32.46 30.16 3jut n ARG 114 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3jut s THR 115 N -1.59 4.13 0.24 0.55 -4.23 -1.02 -4.96 115.64 108.76 3jut s THR 115 Ca 0.10 1.57 -0.22 0.00 -1.18 0.00 0.00 61.69 61.97 3jut s THR 115 Cb 0.10 -3.78 0.04 0.00 1.34 0.00 0.00 72.50 70.20 3jut s THR 115 CO 0.32 -0.05 0.68 -1.38 -0.54 0.00 0.00 174.62 173.65 3jut s HIS 116 N -1.81 -0.31 0.54 3.99 -3.43 -1.26 -4.82 115.29 108.19 3jut s HIS 116 Ca 0.56 -0.06 -0.22 0.00 -0.80 0.00 0.00 55.06 54.54 3jut s HIS 116 Cb -0.16 0.66 -0.05 0.00 -1.43 0.00 0.00 32.58 31.59 3jut s HIS 116 CO 0.21 -1.10 1.36 0.71 -2.00 0.00 0.00 174.74 173.92 3jut s TYR 117 N -3.86 2.29 0.00 0.38 1.51 -1.26 -3.08 117.35 113.34 3jut s TYR 117 Ca 0.08 1.36 0.00 0.00 -1.01 0.00 0.00 57.07 57.50 3jut s TYR 117 Cb -0.04 -3.81 0.00 0.00 -0.11 0.00 0.00 41.96 38.00 3jut s TYR 117 CO 0.00 -2.91 0.00 0.41 -1.11 0.00 0.00 175.55 171.94 3jut n GLY 118 N 0.71 1.28 3.73 0.71 0.00 -1.26 -5.05 105.19 105.31 3jut n GLY 118 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3jut n GLY 118 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jut s GLN 119 N -0.47 4.62 0.51 1.61 -0.21 -1.18 -4.95 119.66 119.59 3jut s GLN 119 Ca 0.00 1.33 0.33 0.00 0.02 0.00 0.00 55.36 57.04 3jut s GLN 119 Cb 0.00 -3.39 1.77 0.00 1.00 0.00 0.00 33.01 32.39 3jut s GLN 119 CO 0.00 0.18 1.99 0.87 -2.12 0.00 0.00 175.29 176.21 3jut h LYS 120 N 5.86 0.00 0.00 2.91 1.79 -1.97 -3.07 116.57 122.09 3jut h LYS 120 Ca -0.43 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 3jut h LYS 120 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 3jut h LYS 120 CO 0.72 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 179.09 3jut h ALA 121 N 1.90 1.00 -0.12 3.86 0.00 -1.93 -3.16 119.26 120.82 3jut h ALA 121 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3jut h ALA 121 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3jut h ALA 121 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.69 3jut n ILE 122 N -2.37 0.25 -3.41 0.00 -5.35 -1.16 -1.64 119.36 105.68 3jut n ILE 122 Ca 0.05 -0.63 -0.40 0.00 -0.27 0.00 0.00 62.75 61.50 3jut n ILE 122 Cb 0.41 1.08 -0.09 0.00 -1.74 0.00 0.00 39.64 39.29 3jut n ILE 122 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 3jut s LEU 123 N -1.06 4.24 0.05 7.28 1.43 -1.20 -4.34 118.68 125.09 3jut s LEU 123 Ca 0.18 -0.02 0.09 0.00 -1.03 0.00 0.00 54.13 53.35 3jut s LEU 123 Cb 0.12 -2.35 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 3jut s LEU 123 CO 0.17 -0.26 -0.24 -0.36 0.23 0.00 0.00 176.35 175.89 3jut s PHE 124 N 2.02 2.14 -0.24 0.29 0.40 0.15 -3.17 117.98 119.56 3jut s PHE 124 Ca 0.13 -0.40 -0.03 0.00 -0.60 0.00 0.00 56.93 56.03 3jut s PHE 124 Cb -0.16 -1.27 0.01 0.00 0.51 0.00 0.00 43.02 42.12 3jut s PHE 124 CO 0.11 0.13 -0.04 -1.17 0.70 0.00 0.00 175.22 174.95 3jut s LEU 125 N -1.30 3.14 0.25 -0.37 2.96 -0.44 -0.62 118.68 122.30 3jut s LEU 125 Ca 0.10 -0.69 -0.30 0.00 -0.22 0.00 0.00 54.13 53.02 3jut s LEU 125 Cb -0.10 -1.71 -0.11 0.00 0.50 0.00 0.00 46.19 44.78 3jut s LEU 125 CO 0.02 -0.10 1.51 -2.84 -1.32 0.00 0.00 176.35 173.63 3jut s PRO 126 N 1.40 4.21 0.16 0.98 0.02 -1.26 -1.43 135.00 139.07 3jut s PRO 126 Ca 0.03 2.41 0.06 0.00 0.02 0.00 0.00 61.00 63.52 3jut s PRO 126 Cb -0.16 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.24 3jut s PRO 126 CO -0.04 -0.52 -0.12 -0.51 -0.33 0.00 0.00 177.00 175.48 3jut s LEU 127 N -0.23 2.50 0.76 -5.54 1.43 -0.11 -4.93 118.68 112.57 3jut s LEU 127 Ca 0.62 -0.96 -0.11 0.00 -1.03 0.00 0.00 54.13 52.65 3jut s LEU 127 Cb -0.44 -0.50 0.04 0.00 0.03 0.00 0.00 46.19 45.32 3jut s LEU 127 CO 0.43 -0.23 1.08 -2.84 0.23 0.00 0.00 176.35 175.02 3jut s PRO 128 N -3.41 2.43 -0.48 1.29 0.02 -1.26 -1.25 135.00 132.35 3jut s PRO 128 Ca 0.16 0.82 -0.16 0.00 0.02 0.00 0.00 61.00 61.84 3jut s PRO 128 Cb -0.01 -1.94 0.07 0.00 0.02 0.00 0.00 34.50 32.64 3jut s PRO 128 CO 0.03 -1.42 0.45 0.54 -0.33 0.00 0.00 177.00 176.27 3jut s VAL 129 N -3.08 5.15 -2.62 3.83 0.11 -1.26 -4.64 120.40 117.89 3jut s VAL 129 Ca 0.60 -0.94 0.27 0.00 -2.93 0.00 0.00 61.98 58.98 3jut s VAL 129 Cb -0.15 -4.17 0.47 0.00 -1.53 0.00 0.00 36.38 31.00 3jut s VAL 129 CO 0.55 -0.64 1.63 -0.24 -3.33 0.00 0.00 175.10 173.07