#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jut s LYS 2 N 0.00 1.07 0.68 -1.58 -0.14 -1.26 -5.15 119.74 113.36 3jut s LYS 2 Ca 0.00 -0.10 -0.11 0.00 -1.36 0.00 0.00 55.97 54.40 3jut s LYS 2 Cb 0.00 -1.22 -0.00 0.00 -1.68 0.00 0.00 37.83 34.93 3jut s LYS 2 CO 0.00 -0.24 1.06 -1.25 -0.76 0.00 0.00 175.35 174.16 3jut s PRO 3 N 1.63 3.05 -0.01 -1.68 0.04 -1.26 -4.62 135.00 132.16 3jut s PRO 3 Ca 0.01 0.79 -0.15 0.00 0.04 0.00 0.00 61.00 61.70 3jut s PRO 3 Cb -0.13 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.42 3jut s PRO 3 CO -0.05 -0.97 0.31 0.15 0.04 0.00 0.00 177.00 176.47 3jut s LYS 4 N -5.14 0.68 0.25 4.56 1.02 -0.63 -3.31 119.74 117.17 3jut s LYS 4 Ca 0.57 -0.22 -0.06 0.00 0.02 0.00 0.00 55.97 56.28 3jut s LYS 4 Cb -0.13 0.30 -0.06 0.00 -0.52 0.00 0.00 37.83 37.43 3jut s LYS 4 CO 0.54 -0.19 0.52 -0.51 -0.92 0.00 0.00 175.35 174.80 3jut s LEU 5 N -1.38 4.12 -0.27 3.17 1.43 -0.83 -0.71 118.68 124.20 3jut s LEU 5 Ca -0.13 0.74 0.02 0.00 -1.03 0.00 0.00 54.13 53.73 3jut s LEU 5 Cb -0.05 -3.53 0.07 0.00 0.03 0.00 0.00 46.19 42.71 3jut s LEU 5 CO 0.04 -0.13 -0.03 -0.76 0.23 0.00 0.00 176.35 175.70 3jut s LEU 6 N -3.23 3.33 -0.37 1.79 1.43 -1.26 -1.59 118.68 118.78 3jut s LEU 6 Ca 0.44 -1.52 -0.12 0.00 -1.03 0.00 0.00 54.13 51.89 3jut s LEU 6 Cb -0.11 -1.37 0.01 0.00 0.03 0.00 0.00 46.19 44.75 3jut s LEU 6 CO 0.27 -0.27 0.23 -0.47 0.23 0.00 0.00 176.35 176.34 3jut s TYR 7 N 1.21 3.23 -0.24 0.29 5.04 -0.58 -0.37 117.35 125.93 3jut s TYR 7 Ca -0.01 -0.60 -0.29 0.00 -2.44 0.00 0.00 57.07 53.73 3jut s TYR 7 Cb -0.19 -2.48 0.00 0.00 0.35 0.00 0.00 41.96 39.64 3jut s TYR 7 CO -0.08 -0.53 1.18 0.00 -1.34 0.00 0.00 175.55 174.79 3jut h SER 9 N 8.25 0.00 -2.88 0.00 0.87 -1.45 -1.16 113.55 117.19 3jut h SER 9 Ca -0.23 0.00 -0.56 0.00 -1.23 0.00 0.00 61.79 59.76 3jut h SER 9 Cb 1.08 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.01 3jut h SER 9 CO 1.00 0.00 0.97 0.21 -0.53 0.00 0.00 176.83 178.48 3jut s ASN 10 N -6.20 6.80 0.00 6.23 2.47 -1.08 -3.69 114.94 119.48 3jut s ASN 10 Ca -0.05 1.71 0.00 0.00 0.42 0.00 0.00 52.86 54.94 3jut s ASN 10 Cb 0.19 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.46 3jut s ASN 10 CO 0.71 -0.88 0.00 0.61 -3.72 0.00 0.00 177.10 173.82 3jut n GLY 11 N 3.91 2.01 2.32 1.21 0.00 -1.26 -4.45 105.19 108.93 3jut n GLY 11 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.88 0.23 3.52 -0.02 0.00 -0.45 -4.98 105.19 102.61 3jut n GLY 12 Ca 0.00 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.15 2.86 0.14 1.61 3.76 -1.16 -4.61 115.29 114.74 3jut s HIS 13 Ca 0.18 -0.11 -0.31 0.00 -0.15 0.00 0.00 55.06 54.67 3jut s HIS 13 Cb -0.08 -1.71 -0.08 0.00 1.11 0.00 0.00 32.58 31.82 3jut s HIS 13 CO 0.32 0.21 1.33 -0.06 -0.85 0.00 0.00 174.74 175.70 3jut s PHE 14 N -0.61 3.28 0.22 1.40 0.08 0.39 0.10 117.98 122.85 3jut s PHE 14 Ca 0.09 1.11 -0.32 0.00 0.12 0.00 0.00 56.93 57.93 3jut s PHE 14 Cb -0.11 -3.61 -0.13 0.00 -0.57 0.00 0.00 43.02 38.60 3jut s PHE 14 CO 0.02 -2.01 1.55 -0.11 -0.10 0.00 0.00 175.22 174.56 3jut n LEU 15 N 3.44 3.48 -3.98 -0.37 7.94 0.50 -1.73 117.00 126.28 3jut n LEU 15 Ca 0.09 1.11 -0.20 0.00 -1.11 0.00 0.00 56.01 55.90 3jut n LEU 15 Cb 0.43 -1.48 -0.16 0.00 0.53 0.00 0.00 43.42 42.74 3jut n LEU 15 CO 0.58 -0.20 -0.43 -0.60 -1.11 0.00 0.00 177.39 175.63 3jut s ARG 16 N 0.24 0.91 -0.34 1.96 3.52 -0.30 -4.35 118.95 120.59 3jut s ARG 16 Ca 0.72 -0.26 0.01 0.00 -0.13 0.00 0.00 55.73 56.07 3jut s ARG 16 Cb -0.61 -0.86 0.09 0.00 -1.56 0.00 0.00 34.95 32.01 3jut s ARG 16 CO 0.43 0.07 0.06 0.42 -0.81 0.00 0.00 175.30 175.47 3jut s ILE 17 N 0.32 2.70 0.71 4.11 1.01 -1.11 -1.81 121.20 127.14 3jut s ILE 17 Ca -0.05 -1.96 -0.12 0.00 0.00 0.00 0.00 60.65 58.52 3jut s ILE 17 Cb -0.09 -2.79 0.02 0.00 0.01 0.00 0.00 42.46 39.61 3jut s ILE 17 CO 0.00 -0.44 1.09 -0.76 0.00 0.00 0.00 174.94 174.84 3jut s LEU 18 N 1.07 3.19 0.67 2.97 1.43 0.19 -4.85 118.68 123.35 3jut s LEU 18 Ca 0.04 1.84 0.42 0.00 -1.03 0.00 0.00 54.13 55.39 3jut s LEU 18 Cb -0.20 -4.53 2.28 0.00 0.03 0.00 0.00 46.19 43.77 3jut s LEU 18 CO -0.05 -1.75 2.29 -0.65 0.23 0.00 0.00 176.35 176.43 3jut h PRO 19 N -0.59 0.00 -0.01 1.29 0.11 -1.99 -2.43 132.00 128.39 3jut h PRO 19 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3jut h PRO 19 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3jut h PRO 19 CO 0.54 0.00 -0.15 -0.40 -0.21 0.00 0.00 178.00 177.77 3jut n ASP 20 N -3.08 0.69 0.00 -2.05 5.75 -1.26 -4.91 116.55 111.69 3jut n ASP 20 Ca -0.03 -0.72 0.00 0.00 -0.01 0.00 0.00 54.79 54.03 3jut n ASP 20 Cb 0.13 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 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 1.29 0.43 3.73 6.12 0.00 -0.91 -4.95 105.19 110.90 3jut n GLY 21 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 3jut n GLY 21 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jut s THR 22 N -2.00 3.78 -0.15 2.61 2.01 -1.26 -0.35 115.64 120.28 3jut s THR 22 Ca 0.00 1.45 0.02 0.00 0.31 0.00 0.00 61.69 63.47 3jut s THR 22 Cb 0.00 -3.93 0.02 0.00 0.01 0.00 0.00 72.50 68.60 3jut s THR 22 CO 0.00 0.21 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.26 3jut s VAL 23 N 0.13 1.91 0.00 3.82 1.01 -1.26 0.54 120.40 126.54 3jut s VAL 23 Ca 0.53 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.64 3jut s VAL 23 Cb -0.31 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.36 3jut s VAL 23 CO 0.34 0.52 0.00 -0.90 0.00 0.00 0.00 175.10 175.06 3jut n ASP 24 N 4.34 1.71 -3.65 3.32 5.75 -0.75 -4.29 116.55 122.98 3jut n ASP 24 Ca -0.20 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.43 3jut n ASP 24 Cb 0.51 0.00 -0.08 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 0.00 -0.39 0.08 6.12 0.00 -0.46 -1.15 107.32 111.52 3jut s GLY 25 Ca 0.00 1.10 0.01 0.00 0.00 0.00 0.00 44.72 45.84 3jut s GLY 25 CO 0.00 0.84 -0.06 -1.08 0.00 0.00 0.00 173.10 172.80 3jut s THR 26 N -0.71 0.60 -1.81 0.90 -1.32 -0.71 -4.80 115.64 107.80 3jut s THR 26 Ca -0.08 -1.82 0.23 0.00 -1.21 0.00 0.00 61.69 58.82 3jut s THR 26 Cb -0.03 -1.53 0.03 0.00 -1.51 0.00 0.00 72.50 69.46 3jut s THR 26 CO 0.05 -0.84 1.20 0.54 -2.21 0.00 0.00 174.62 173.36 3jut n ARG 27 N 0.15 0.93 -2.42 7.08 1.74 -1.26 -0.46 116.66 122.42 3jut n ARG 27 Ca -0.14 -0.72 -0.43 0.00 -0.77 0.00 0.00 57.85 55.80 3jut n ARG 27 Cb 0.60 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.53 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 -2.57 6.47 0.36 0.55 -1.08 -1.26 -4.86 116.67 114.28 3jut s ASP 28 Ca 0.18 0.84 0.25 0.00 -0.52 0.00 0.00 52.55 53.29 3jut s ASP 28 Cb 0.18 -2.54 0.57 0.00 -1.46 0.00 0.00 42.92 39.67 3jut s ASP 28 CO 0.60 -1.32 1.69 0.03 0.52 0.00 0.00 175.17 176.69 3jut h ARG 29 N 10.10 0.00 0.00 4.34 3.08 -2.02 -2.42 114.38 127.45 3jut h ARG 29 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.79 3jut h ARG 29 Cb 1.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.14 3jut h ARG 29 CO 1.08 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 180.41 3jut n SER 30 N -2.77 0.03 -4.75 7.04 7.64 -1.26 -4.90 113.62 114.65 3jut n SER 30 Ca 0.04 0.51 -0.41 0.00 1.01 0.00 0.00 58.87 60.02 3jut n SER 30 Cb 0.48 -0.51 -0.02 0.00 -1.01 0.00 0.00 64.21 63.15 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 -3.05 6.55 0.55 6.43 2.15 -0.92 -4.83 116.67 123.55 3jut s ASP 31 Ca 0.09 2.78 0.33 0.00 0.43 0.00 0.00 52.55 56.18 3jut s ASP 31 Cb 0.12 -2.63 1.47 0.00 -0.30 0.00 0.00 42.92 41.59 3jut s ASP 31 CO 0.35 -0.77 2.03 1.56 -0.17 0.00 0.00 175.17 178.17 3jut h GLN 32 N 4.80 0.00 -0.50 4.34 1.08 -1.91 -3.28 115.11 119.64 3jut h GLN 32 Ca -0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 3jut h GLN 32 Cb 1.22 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.65 3jut h GLN 32 CO 0.77 0.06 0.00 0.72 -0.95 0.00 0.00 178.83 179.43 3jut n HIS 33 N -3.22 0.65 0.92 2.96 8.25 -1.26 -4.14 115.22 119.37 3jut n HIS 33 Ca -0.00 -0.34 0.11 0.00 -0.26 0.00 0.00 57.72 57.23 3jut n HIS 33 Cb 0.28 -0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.44 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 1.51 0.03 -2.19 1.59 -5.35 -1.24 -2.74 119.36 110.97 3jut n ILE 34 Ca 0.21 -0.05 -0.43 0.00 -0.27 0.00 0.00 62.75 62.22 3jut n ILE 34 Cb 0.60 0.56 -0.02 0.00 -1.74 0.00 0.00 39.64 39.04 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 -3.04 4.20 -0.06 6.28 1.11 -1.26 -4.35 119.66 122.55 3jut s GLN 35 Ca 0.08 1.96 0.03 0.00 0.01 0.00 0.00 55.36 57.44 3jut s GLN 35 Cb 0.16 -3.89 0.01 0.00 -1.01 0.00 0.00 33.01 28.28 3jut s GLN 35 CO 0.79 -0.78 -0.14 -0.51 0.01 0.00 0.00 175.29 174.65 3jut s LEU 36 N 3.79 1.77 -0.26 2.90 1.43 0.11 -2.24 118.68 126.18 3jut s LEU 36 Ca 0.65 -0.33 -0.18 0.00 -1.03 0.00 0.00 54.13 53.25 3jut s LEU 36 Cb -0.28 -0.89 -0.03 0.00 0.03 0.00 0.00 46.19 45.01 3jut s LEU 36 CO 0.23 0.08 0.50 -1.58 0.23 0.00 0.00 176.35 175.81 3jut s GLN 37 N 0.43 4.07 -0.19 1.70 2.00 0.30 -1.60 119.66 126.38 3jut s GLN 37 Ca -0.11 0.30 -0.10 0.00 -2.00 0.00 0.00 55.36 53.45 3jut s GLN 37 Cb -0.14 -3.64 -0.05 0.00 0.80 0.00 0.00 33.01 29.97 3jut s GLN 37 CO 0.04 -0.33 0.14 -0.51 -0.50 0.00 0.00 175.29 174.13 3jut s LEU 38 N 2.23 4.24 -0.01 3.68 1.02 -1.26 0.52 118.68 129.09 3jut s LEU 38 Ca 0.21 0.28 0.01 0.00 0.02 0.00 0.00 54.13 54.64 3jut s LEU 38 Cb -0.16 -2.10 0.01 0.00 0.02 0.00 0.00 46.19 43.96 3jut s LEU 38 CO 0.09 0.21 -0.02 -0.94 0.02 0.00 0.00 176.35 175.71 3jut s SER 39 N 0.15 0.46 -0.46 2.29 1.04 -0.96 -4.98 113.70 111.25 3jut s SER 39 Ca 0.09 -0.06 -0.20 0.00 0.48 0.00 0.00 55.95 56.27 3jut s SER 39 Cb -0.11 -0.14 0.03 0.00 0.10 0.00 0.00 66.02 65.91 3jut s SER 39 CO -0.01 -0.01 0.63 0.00 0.98 0.00 0.00 173.24 174.83 3jut s ALA 40 N 0.36 3.35 0.06 5.32 0.00 -1.26 -1.42 121.76 128.17 3jut s ALA 40 Ca -0.04 -1.41 -0.35 0.00 0.00 0.00 0.00 51.96 50.17 3jut s ALA 40 Cb -0.07 -3.32 -0.19 0.00 0.00 0.00 0.00 23.12 19.55 3jut s ALA 40 CO -0.01 -1.87 1.53 1.49 0.00 0.00 0.00 175.76 176.90 3jut h GLU 41 N 8.92 -1.19 0.00 0.00 4.81 -1.15 -3.46 114.58 122.51 3jut h GLU 41 Ca -0.26 0.08 -0.30 0.00 -0.13 0.00 0.00 59.36 58.75 3jut h GLU 41 Cb 1.10 0.27 -0.05 0.00 0.63 0.00 0.00 28.75 30.70 3jut h GLU 41 CO 0.92 -0.80 -0.20 0.43 -0.73 0.00 0.00 179.01 178.63 3jut n SER 42 N -5.40 2.44 -0.00 1.04 7.64 -1.22 -5.02 113.62 113.10 3jut n SER 42 Ca -0.15 -2.00 -0.00 0.00 1.01 0.00 0.00 58.87 57.73 3jut n SER 42 Cb 0.49 0.12 -0.00 0.00 -1.01 0.00 0.00 64.21 63.81 3jut n SER 42 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3jut h VAL 43 N 0.98 0.00 -0.40 0.44 2.07 -2.03 -2.96 116.25 114.35 3jut h VAL 43 Ca -0.19 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3jut h VAL 43 Cb 0.59 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 3jut h VAL 43 CO 0.31 0.00 0.01 0.61 0.02 0.00 0.00 177.57 178.52 3jut n GLY 44 N -1.01 2.55 3.16 2.17 0.00 -1.26 -4.85 105.19 105.94 3jut n GLY 44 Ca -0.00 -0.63 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 3jut n GLY 44 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3jut s GLU 45 N -2.21 2.44 0.17 1.61 2.02 -1.12 -1.40 118.70 120.22 3jut s GLU 45 Ca 0.37 -1.25 0.09 0.00 0.02 0.00 0.00 54.97 54.20 3jut s GLU 45 Cb 0.29 -3.11 -0.04 0.00 0.10 0.00 0.00 34.13 31.37 3jut s GLU 45 CO 0.11 -0.59 -0.09 0.14 0.02 0.00 0.00 175.26 174.86 3jut s VAL 46 N 1.24 3.25 0.05 2.63 -7.23 0.48 -0.52 120.40 120.29 3jut s VAL 46 Ca -0.05 -1.61 0.02 0.00 -1.81 0.00 0.00 61.98 58.53 3jut s VAL 46 Cb -0.19 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.10 3jut s VAL 46 CO -0.02 -0.10 0.07 -0.31 -0.31 0.00 0.00 175.10 174.43 3jut s TYR 47 N -1.67 3.20 -0.26 2.82 2.02 -0.50 -1.47 117.35 121.48 3jut s TYR 47 Ca 0.25 0.11 0.01 0.00 -0.37 0.00 0.00 57.07 57.07 3jut s TYR 47 Cb -0.09 -1.66 0.05 0.00 -0.40 0.00 0.00 41.96 39.87 3jut s TYR 47 CO 0.15 0.52 -0.08 0.42 -1.57 0.00 0.00 175.55 175.00 3jut s ILE 48 N -1.31 2.47 -0.10 2.71 1.01 -1.26 -2.26 121.20 122.47 3jut s ILE 48 Ca 0.27 -1.45 0.01 0.00 0.00 0.00 0.00 60.65 59.48 3jut s ILE 48 Cb -0.12 -2.39 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 3jut s ILE 48 CO 0.19 0.02 -0.14 -0.75 0.00 0.00 0.00 174.94 174.26 3jut s LYS 49 N 1.18 3.06 0.13 2.79 2.20 0.18 -1.26 119.74 128.03 3jut s LYS 49 Ca -0.06 -0.69 -0.31 0.00 -0.36 0.00 0.00 55.97 54.55 3jut s LYS 49 Cb -0.19 -2.54 -0.11 0.00 -1.51 0.00 0.00 37.83 33.49 3jut s LYS 49 CO -0.04 0.36 1.82 0.45 -0.36 0.00 0.00 175.35 177.58 3jut s SER 50 N -0.05 6.42 0.28 1.43 0.15 0.40 0.11 113.70 122.45 3jut s SER 50 Ca -0.03 2.77 0.25 0.00 0.70 0.00 0.00 55.95 59.64 3jut s SER 50 Cb -0.14 -2.57 0.54 0.00 -1.71 0.00 0.00 66.02 62.14 3jut s SER 50 CO 0.04 -1.00 1.63 0.71 1.20 0.00 0.00 173.24 175.82 3jut h THR 51 N 4.59 0.00 0.18 6.45 1.35 -1.79 -0.76 112.91 122.92 3jut h THR 51 Ca -0.46 -0.70 -0.33 0.00 -0.55 0.00 0.00 66.41 64.37 3jut h THR 51 Cb 1.22 1.63 0.01 0.00 -1.73 0.00 0.00 68.15 69.27 3jut h THR 51 CO 0.95 0.00 -1.64 -0.08 -0.25 0.00 0.00 175.52 174.50 3jut h GLU 52 N 0.00 0.38 0.00 4.72 4.57 -1.81 -3.41 114.58 119.03 3jut h GLU 52 Ca 0.00 -0.65 0.00 0.00 -1.18 0.00 0.00 59.36 57.53 3jut h GLU 52 Cb 0.85 0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.68 3jut h GLU 52 CO 0.00 1.31 -0.65 0.25 -1.18 0.00 0.00 179.01 178.74 3jut n THR 53 N -3.68 0.00 -1.24 0.32 -2.24 -1.25 -4.96 114.28 101.23 3jut n THR 53 Ca -0.24 -0.25 -0.08 0.00 -2.27 0.00 0.00 64.05 61.21 3jut n THR 53 Cb 1.04 0.88 -0.04 0.00 -2.10 0.00 0.00 70.33 70.11 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 1.35 0.90 3.79 3.38 0.00 -0.29 -5.01 105.19 109.31 3jut n GLY 54 Ca 0.01 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.45 4.47 -0.04 1.61 -0.21 -1.26 -4.75 119.66 117.04 3jut s GLN 55 Ca 0.00 1.09 -0.15 0.00 0.02 0.00 0.00 55.36 56.32 3jut s GLN 55 Cb 0.00 -3.07 -0.05 0.00 1.00 0.00 0.00 33.01 30.89 3jut s GLN 55 CO 0.00 0.47 0.41 0.71 -2.12 0.00 0.00 175.29 174.76 3jut s TYR 56 N -1.34 3.66 0.38 0.91 1.51 0.49 -0.45 117.35 122.51 3jut s TYR 56 Ca 0.40 0.93 -0.28 0.00 -1.01 0.00 0.00 57.07 57.12 3jut s TYR 56 Cb -0.20 -2.34 -0.11 0.00 -0.11 0.00 0.00 41.96 39.20 3jut s TYR 56 CO 0.24 0.52 1.48 -1.17 -1.11 0.00 0.00 175.55 175.51 3jut s LEU 57 N -0.60 4.31 0.22 -1.29 2.96 -0.39 0.28 118.68 124.16 3jut s LEU 57 Ca 0.23 3.04 -0.06 0.00 -0.22 0.00 0.00 54.13 57.12 3jut s LEU 57 Cb -0.16 -3.69 -0.02 0.00 0.50 0.00 0.00 46.19 42.82 3jut s LEU 57 CO 0.12 -0.89 0.28 0.00 -1.32 0.00 0.00 176.35 174.54 3jut s ALA 58 N -1.13 0.52 -0.05 5.97 0.00 0.78 -4.38 121.76 123.48 3jut s ALA 58 Ca 0.53 -1.31 -0.02 0.00 0.00 0.00 0.00 51.96 51.16 3jut s ALA 58 Cb -0.46 1.22 0.03 0.00 0.00 0.00 0.00 23.12 23.91 3jut s ALA 58 CO 0.63 -0.70 0.07 1.41 0.00 0.00 0.00 175.76 177.16 3jut s MET 59 N -4.09 -0.07 0.83 0.00 1.75 -0.84 -1.43 119.30 115.45 3jut s MET 59 Ca 0.31 0.38 -0.10 0.00 -1.25 0.00 0.00 55.69 55.03 3jut s MET 59 Cb 0.04 -0.53 0.18 0.00 2.84 0.00 0.00 34.83 37.36 3jut s MET 59 CO 0.10 -0.34 1.14 -0.40 -0.65 0.00 0.00 175.02 174.87 3jut n ASP 60 N 5.30 0.54 0.10 1.11 5.75 -0.72 -4.81 116.55 123.82 3jut n ASP 60 Ca -0.03 -1.69 0.06 0.00 -0.01 0.00 0.00 54.79 53.12 3jut n ASP 60 Cb 0.50 -0.83 0.32 0.00 -1.03 0.00 0.00 41.12 40.08 3jut n ASP 60 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3jut n THR 61 N -3.37 1.29 0.54 2.12 -2.24 -1.26 -1.34 114.28 110.01 3jut n THR 61 Ca 0.16 0.64 0.10 0.00 -2.27 0.00 0.00 64.05 62.68 3jut n THR 61 Cb 0.55 -1.64 -0.14 0.00 -2.10 0.00 0.00 70.33 66.99 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 -1.90 0.55 0.00 3.42 8.00 -1.26 -4.97 116.55 120.39 3jut n ASP 62 Ca -0.01 -0.55 0.00 0.00 0.71 0.00 0.00 54.79 54.95 3jut n ASP 62 Cb 0.08 1.45 0.00 0.00 -0.02 0.00 0.00 41.12 42.63 3jut n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3jut n GLY 63 N 1.39 0.96 3.79 0.44 0.00 -0.45 -4.54 105.19 106.78 3jut n GLY 63 Ca 0.00 -0.01 -0.39 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 4.53 0.25 0.99 2.96 -1.26 -1.43 118.68 124.71 3jut s LEU 64 Ca 0.00 1.60 -0.20 0.00 -0.22 0.00 0.00 54.13 55.31 3jut s LEU 64 Cb 0.00 -3.37 -0.09 0.00 0.50 0.00 0.00 46.19 43.24 3jut s LEU 64 CO 0.00 0.17 0.76 -0.76 -1.32 0.00 0.00 176.35 175.19 3jut s LEU 65 N -1.34 4.31 0.25 -0.68 1.43 -1.26 -1.75 118.68 119.65 3jut s LEU 65 Ca 0.37 1.46 -0.04 0.00 -1.03 0.00 0.00 54.13 54.90 3jut s LEU 65 Cb -0.22 -3.69 -0.02 0.00 0.03 0.00 0.00 46.19 42.29 3jut s LEU 65 CO 0.25 -0.01 0.31 -0.72 0.23 0.00 0.00 176.35 176.42 3jut s TYR 66 N -1.58 0.97 -0.29 0.29 -0.85 -0.51 -4.51 117.35 110.87 3jut s TYR 66 Ca 0.45 -1.20 -0.10 0.00 -0.52 0.00 0.00 57.07 55.70 3jut s TYR 66 Cb -0.16 -0.27 -0.03 0.00 0.38 0.00 0.00 41.96 41.89 3jut s TYR 66 CO 0.21 -0.86 0.14 0.20 -1.52 0.00 0.00 175.55 173.72 3jut s GLY 67 N -3.16 1.86 -0.10 5.49 0.00 0.52 -0.16 107.32 111.79 3jut s GLY 67 Ca 0.33 -1.23 -0.13 0.00 0.00 0.00 0.00 44.72 43.69 3jut s GLY 67 CO 0.14 0.64 0.31 -0.45 0.00 0.00 0.00 173.10 173.74 3jut s SER 68 N 1.66 6.56 0.33 1.64 0.15 0.14 -4.59 113.70 119.60 3jut s SER 68 Ca 0.06 0.67 0.15 0.00 0.70 0.00 0.00 55.95 57.53 3jut s SER 68 Cb -0.16 -2.19 0.55 0.00 -1.71 0.00 0.00 66.02 62.52 3jut s SER 68 CO 0.07 0.24 1.69 1.56 1.20 0.00 0.00 173.24 178.00 3jut h GLN 69 N 5.65 0.00 -5.09 5.44 4.20 -1.91 0.14 115.11 123.53 3jut h GLN 69 Ca -0.48 0.00 -0.45 0.00 0.06 0.00 0.00 58.65 57.78 3jut h GLN 69 Cb 1.20 0.00 -0.29 0.00 0.30 0.00 0.00 27.48 28.69 3jut h GLN 69 CO 0.67 0.47 -0.80 0.95 -0.67 0.00 0.00 178.83 179.45 3jut s THR 70 N -3.66 0.97 0.61 -0.54 -4.23 -1.26 -4.77 115.64 102.76 3jut s THR 70 Ca -0.01 -0.53 -0.19 0.00 -1.18 0.00 0.00 61.69 59.79 3jut s THR 70 Cb 0.12 -0.81 -0.03 0.00 1.34 0.00 0.00 72.50 73.12 3jut s THR 70 CO 0.72 0.28 1.25 -2.16 -0.54 0.00 0.00 174.62 174.17 3jut s PRO 71 N -0.28 2.84 0.18 3.99 0.04 -1.26 -4.93 135.00 135.57 3jut s PRO 71 Ca 0.05 1.94 -0.05 0.00 0.04 0.00 0.00 61.00 62.98 3jut s PRO 71 Cb -0.05 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.59 3jut s PRO 71 CO -0.00 -1.34 0.32 0.27 0.04 0.00 0.00 177.00 176.29 3jut n ASN 72 N -1.65 -0.93 -0.34 6.66 2.04 -1.26 -5.04 115.26 114.74 3jut n ASN 72 Ca 0.14 -1.78 0.06 0.00 -0.44 0.00 0.00 54.58 52.56 3jut n ASN 72 Cb 0.49 1.59 0.24 0.00 -2.53 0.00 0.00 39.78 39.57 3jut n ASN 72 CO 0.00 0.00 0.00 1.05 -0.44 0.00 0.00 177.26 177.87 3jut h GLU 73 N 0.00 1.00 0.00 -3.83 4.11 -1.99 -2.33 114.58 111.54 3jut h GLU 73 Ca -0.15 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.22 3jut h GLU 73 Cb 0.57 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3jut h GLU 73 CO 0.19 0.66 0.00 0.39 0.07 0.00 0.00 179.01 180.32 3jut n GLU 74 N -4.55 0.14 -0.11 1.06 1.02 -1.26 -3.02 120.64 113.92 3jut n GLU 74 Ca 0.17 0.63 0.10 0.00 -0.02 0.00 0.00 57.16 58.04 3jut n GLU 74 Cb 0.28 -1.96 0.15 0.00 -0.02 0.00 0.00 31.44 29.90 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 -1.50 4.24 0.08 0.00 2.96 -1.17 -4.48 118.68 118.80 3jut s LEU 76 Ca 0.31 0.46 0.07 0.00 -0.22 0.00 0.00 54.13 54.75 3jut s LEU 76 Cb 0.19 -2.33 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 3jut s LEU 76 CO 0.27 0.11 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.87 3jut s PHE 77 N 0.47 1.58 -0.32 5.38 0.08 -0.54 -1.97 117.98 122.65 3jut s PHE 77 Ca 0.15 -0.41 -0.11 0.00 0.12 0.00 0.00 56.93 56.68 3jut s PHE 77 Cb -0.13 -0.89 -0.02 0.00 -0.57 0.00 0.00 43.02 41.41 3jut s PHE 77 CO 0.03 0.13 0.20 -0.51 -0.10 0.00 0.00 175.22 174.97 3jut s LEU 78 N -1.65 4.27 -0.24 -0.37 1.43 -0.87 -0.39 118.68 120.86 3jut s LEU 78 Ca 0.04 -0.37 -0.11 0.00 -1.03 0.00 0.00 54.13 52.66 3jut s LEU 78 Cb -0.10 -2.09 -0.05 0.00 0.03 0.00 0.00 46.19 43.99 3jut s LEU 78 CO 0.03 -0.18 0.18 -0.70 0.23 0.00 0.00 176.35 175.90 3jut s GLU 79 N 1.69 4.06 -0.08 1.70 2.12 -0.49 -2.86 118.70 124.84 3jut s GLU 79 Ca 0.06 -0.25 0.03 0.00 0.36 0.00 0.00 54.97 55.17 3jut s GLU 79 Cb -0.17 -3.55 -0.02 0.00 0.26 0.00 0.00 34.13 30.65 3jut s GLU 79 CO 0.09 0.02 -0.17 1.03 -0.54 0.00 0.00 175.26 175.70 3jut s ARG 80 N 1.16 2.79 -0.07 4.30 1.81 -0.97 -4.90 118.95 123.08 3jut s ARG 80 Ca 0.08 -0.75 -0.30 0.00 -1.72 0.00 0.00 55.73 53.04 3jut s ARG 80 Cb -0.14 -2.39 -0.02 0.00 -0.45 0.00 0.00 34.95 31.94 3jut s ARG 80 CO 0.05 0.43 1.08 -1.17 -0.68 0.00 0.00 175.30 175.01 3jut s LEU 81 N -0.23 4.27 0.00 2.53 2.96 -1.26 -1.93 118.68 125.02 3jut s LEU 81 Ca 0.00 1.66 0.00 0.00 -0.22 0.00 0.00 54.13 55.57 3jut s LEU 81 Cb -0.13 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.00 3jut s LEU 81 CO 0.03 -0.48 0.00 -0.62 -1.32 0.00 0.00 176.35 173.96 3jut n GLU 82 N 4.97 2.39 0.13 1.98 -0.58 0.15 -4.97 120.64 124.70 3jut n GLU 82 Ca 0.09 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.62 3jut n GLU 82 Cb 0.48 0.00 -0.15 0.00 -0.57 0.00 0.00 31.44 31.20 3jut n GLU 82 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 3jut h GLU 83 N 0.00 0.43 -2.17 3.49 4.57 -1.97 -3.26 114.58 115.67 3jut h GLU 83 Ca 0.00 -0.73 -0.55 0.00 -1.18 0.00 0.00 59.36 56.90 3jut h GLU 83 Cb 0.00 0.27 -0.41 0.00 -0.16 0.00 0.00 28.75 28.45 3jut h GLU 83 CO 0.00 1.35 -0.85 0.09 -1.18 0.00 0.00 179.01 178.41 3jut n ASN 84 N -3.64 3.03 0.00 1.04 5.03 -1.26 -4.97 115.26 114.49 3jut n ASN 84 Ca -0.13 -3.41 0.00 0.00 0.87 0.00 0.00 54.58 51.91 3jut n ASN 84 Cb 1.07 -0.59 0.00 0.00 -1.02 0.00 0.00 39.78 39.24 3jut n ASN 84 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 3jut n HIS 85 N 0.02 0.00 -3.11 3.10 8.25 -1.23 -5.02 115.22 117.23 3jut n HIS 85 Ca 0.29 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.43 3jut n HIS 85 Cb 0.49 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.55 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 -3.27 3.41 0.24 4.41 2.02 -1.26 -4.74 117.35 118.16 3jut s TYR 86 Ca 0.00 1.09 0.08 0.00 -0.37 0.00 0.00 57.07 57.87 3jut s TYR 86 Cb 0.00 -2.45 -0.04 0.00 -0.40 0.00 0.00 41.96 39.07 3jut s TYR 86 CO 0.00 0.07 0.09 -0.80 -1.57 0.00 0.00 175.55 173.34 3jut s ASN 87 N -2.56 5.04 0.17 2.29 0.01 0.36 0.30 114.94 120.54 3jut s ASN 87 Ca 0.52 -0.42 0.10 0.00 -0.71 0.00 0.00 52.86 52.35 3jut s ASN 87 Cb -0.10 -1.13 -0.04 0.00 0.41 0.00 0.00 41.25 40.38 3jut s ASN 87 CO 0.22 0.00 -0.17 0.42 -1.51 0.00 0.00 177.10 176.07 3jut s THR 88 N -2.13 2.81 -0.18 1.60 -4.23 -0.81 -1.06 115.64 111.64 3jut s THR 88 Ca 0.31 -1.75 -0.01 0.00 -1.18 0.00 0.00 61.69 59.06 3jut s THR 88 Cb -0.08 -2.36 0.05 0.00 1.34 0.00 0.00 72.50 71.46 3jut s THR 88 CO 0.22 -0.06 -0.01 -0.31 -0.54 0.00 0.00 174.62 173.92 3jut s TYR 89 N -1.55 1.43 -0.11 3.99 1.51 -1.26 -2.29 117.35 119.06 3jut s TYR 89 Ca 0.22 -1.00 -0.02 0.00 -1.01 0.00 0.00 57.07 55.26 3jut s TYR 89 Cb -0.09 -1.18 -0.03 0.00 -0.11 0.00 0.00 41.96 40.55 3jut s TYR 89 CO 0.12 -0.61 -0.03 -1.50 -1.11 0.00 0.00 175.55 172.42 3jut s ILE 90 N 1.72 3.96 -0.08 2.71 2.07 -1.14 0.33 121.20 130.79 3jut s ILE 90 Ca -0.01 -0.36 -0.31 0.00 -1.41 0.00 0.00 60.65 58.56 3jut s ILE 90 Cb -0.16 -2.69 -0.09 0.00 0.13 0.00 0.00 42.46 39.65 3jut s ILE 90 CO -0.07 0.55 2.00 -0.24 -1.91 0.00 0.00 174.94 175.27 3jut n SER 91 N 2.83 3.64 0.02 4.50 2.88 0.35 -2.06 113.62 125.78 3jut n SER 91 Ca -0.18 0.78 -0.10 0.00 -1.33 0.00 0.00 58.87 58.04 3jut n SER 91 Cb 0.53 -1.46 -0.04 0.00 -0.75 0.00 0.00 64.21 62.49 3jut n SER 91 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3jut h LYS 92 N 11.01 -0.14 0.00 -1.46 3.64 -1.71 0.15 116.57 128.06 3jut h LYS 92 Ca -0.47 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 3jut h LYS 92 Cb 1.26 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 3jut h LYS 92 CO 0.95 -0.09 0.08 1.17 -2.27 0.00 0.00 179.45 179.29 3jut n LYS 93 N -5.25 0.13 -2.74 1.90 4.81 -1.26 -3.09 118.16 112.66 3jut n LYS 93 Ca -0.04 0.62 -0.10 0.00 -0.87 0.00 0.00 58.31 57.92 3jut n LYS 93 Cb 0.17 -2.00 0.02 0.00 0.02 0.00 0.00 35.03 33.24 3jut n LYS 93 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 3jut n HIS 94 N -2.21 0.92 -0.01 5.64 8.25 0.43 -4.90 115.22 123.35 3jut n HIS 94 Ca -0.01 -2.92 -0.01 0.00 -0.26 0.00 0.00 57.72 54.52 3jut n HIS 94 Cb 0.11 -0.34 -0.12 0.00 1.12 0.00 0.00 29.99 30.77 3jut n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3jut n ALA 95 N -0.02 1.96 0.29 -1.41 0.00 -0.71 -2.74 120.51 117.88 3jut n ALA 95 Ca 0.11 -0.73 0.10 0.00 0.00 0.00 0.00 53.44 52.92 3jut n ALA 95 Cb 0.80 -0.74 0.47 0.00 0.00 0.00 0.00 19.45 19.98 3jut n ALA 95 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 3jut n GLU 96 N -2.76 0.14 -0.04 0.00 0.00 -1.26 -2.25 120.64 114.48 3jut n GLU 96 Ca -0.14 0.49 0.02 0.00 0.00 0.00 0.00 57.16 57.53 3jut n GLU 96 Cb 0.88 -1.84 -0.15 0.00 0.00 0.00 0.00 31.44 30.32 3jut n GLU 96 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3jut n LYS 97 N -2.13 0.76 -3.09 3.44 5.02 -1.12 -5.01 118.16 116.04 3jut n LYS 97 Ca 0.01 -0.11 -0.13 0.00 -2.02 0.00 0.00 58.31 56.05 3jut n LYS 97 Cb 0.14 -1.47 0.04 0.00 -0.02 0.00 0.00 35.03 33.72 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 -2.38 -4.29 -4.64 4.39 4.13 -0.95 -4.98 115.26 106.53 3jut n ASN 98 Ca -0.14 -0.30 -0.43 0.00 1.68 0.00 0.00 54.58 55.39 3jut n ASN 98 Cb 0.75 -3.03 -0.02 0.00 -1.54 0.00 0.00 39.78 35.93 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 -3.18 2.82 0.12 3.10 0.52 -1.16 -4.75 118.94 116.40 3jut s TRP 99 Ca 0.31 0.98 0.04 0.00 0.02 0.00 0.00 56.10 57.45 3jut s TRP 99 Cb -0.13 -3.69 -0.04 0.00 -1.15 0.00 0.00 33.47 28.46 3jut s TRP 99 CO 0.41 -1.58 0.09 -0.06 0.02 0.00 0.00 176.95 175.83 3jut s PHE 100 N 3.90 3.15 0.10 -1.98 0.40 -1.26 -0.49 117.98 121.80 3jut s PHE 100 Ca 0.54 0.03 -0.31 0.00 -0.60 0.00 0.00 56.93 56.59 3jut s PHE 100 Cb -0.18 -1.56 -0.09 0.00 0.51 0.00 0.00 43.02 41.69 3jut s PHE 100 CO 0.18 0.52 1.62 0.08 0.70 0.00 0.00 175.22 178.31 3jut s VAL 101 N -1.54 2.91 0.12 -0.44 1.01 0.15 -4.46 120.40 118.15 3jut s VAL 101 Ca 0.30 0.49 -0.18 0.00 0.00 0.00 0.00 61.98 62.58 3jut s VAL 101 Cb -0.11 -3.31 0.04 0.00 0.00 0.00 0.00 36.38 33.00 3jut s VAL 101 CO 0.22 0.01 0.45 -0.83 0.00 0.00 0.00 175.10 174.95 3jut s GLY 102 N 1.94 -0.36 0.03 4.51 0.00 -1.26 -4.35 107.32 107.85 3jut s GLY 102 Ca 0.72 0.13 0.06 0.00 0.00 0.00 0.00 44.72 45.64 3jut s GLY 102 CO 0.32 -0.14 -0.17 1.08 0.00 0.00 0.00 173.10 174.18 3jut s LEU 103 N -2.67 2.15 0.98 0.66 1.43 -0.67 -1.29 118.68 119.27 3jut s LEU 103 Ca 0.01 -0.46 -0.13 0.00 -1.03 0.00 0.00 54.13 52.52 3jut s LEU 103 Cb 0.01 -0.79 0.18 0.00 0.03 0.00 0.00 46.19 45.61 3jut s LEU 103 CO -0.11 0.11 1.12 -0.54 0.23 0.00 0.00 176.35 177.16 3jut s LYS 104 N -1.04 0.56 0.45 1.70 1.02 0.58 -4.54 119.74 118.47 3jut s LYS 104 Ca 0.05 0.35 0.15 0.00 0.02 0.00 0.00 55.97 56.53 3jut s LYS 104 Cb -0.08 -1.77 1.01 0.00 -0.52 0.00 0.00 37.83 36.47 3jut s LYS 104 CO 0.01 -2.60 1.99 0.87 -0.92 0.00 0.00 175.35 174.70 3jut h LYS 105 N -1.79 0.00 0.00 1.68 1.57 -1.86 -1.89 116.57 114.27 3jut h LYS 105 Ca -0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 3jut h LYS 105 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 3jut h LYS 105 CO 0.58 0.19 0.00 0.27 -0.57 0.00 0.00 179.45 179.92 3jut n ASN 106 N -4.27 0.00 0.00 0.86 6.94 -1.26 -4.60 115.26 112.93 3jut n ASN 106 Ca -0.02 -1.15 0.00 0.00 -0.02 0.00 0.00 54.58 53.38 3jut n ASN 106 Cb 0.25 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.67 3jut n ASN 106 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3jut n GLY 107 N 0.83 0.79 3.79 4.83 0.00 -0.71 -4.99 105.19 109.73 3jut n GLY 107 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 3jut n GLY 107 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3jut s SER 108 N -2.61 4.93 0.25 1.61 0.01 -1.26 -1.35 113.70 115.27 3jut s SER 108 Ca 0.00 1.75 -0.25 0.00 1.31 0.00 0.00 55.95 58.76 3jut s SER 108 Cb 0.00 -2.51 -0.09 0.00 0.21 0.00 0.00 66.02 63.63 3jut s SER 108 CO 0.00 -1.75 0.85 0.00 0.41 0.00 0.00 173.24 172.75 3jut s LYS 110 N -1.71 4.21 0.62 0.00 2.20 -0.41 -4.65 119.74 120.00 3jut s LYS 110 Ca 0.44 -0.01 -0.16 0.00 -0.36 0.00 0.00 55.97 55.87 3jut s LYS 110 Cb -0.20 -3.45 -0.02 0.00 -1.51 0.00 0.00 37.83 32.64 3jut s LYS 110 CO 0.25 0.19 1.11 1.03 -0.36 0.00 0.00 175.35 177.57 3jut s ARG 111 N 0.64 3.02 0.29 4.03 0.52 -1.26 -4.31 118.95 121.87 3jut s ARG 111 Ca 0.14 1.42 -0.00 0.00 -0.52 0.00 0.00 55.73 56.77 3jut s ARG 111 Cb -0.13 -1.98 0.49 0.00 0.52 0.00 0.00 34.95 33.86 3jut s ARG 111 CO 0.03 -1.08 1.89 0.78 0.02 0.00 0.00 175.30 176.94 3jut h GLY 112 N 0.40 1.43 1.56 -3.53 0.00 -1.46 0.53 103.07 102.00 3jut h GLY 112 Ca -0.48 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 46.41 3jut h GLY 112 CO 0.55 0.30 0.26 -2.55 0.00 0.00 0.00 176.54 175.10 3jut h PRO 113 N 1.08 0.59 0.00 4.80 0.11 -1.86 -2.35 132.00 134.37 3jut h PRO 113 Ca 0.42 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.48 3jut h PRO 113 Cb 0.22 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.21 3jut h PRO 113 CO -0.17 0.42 0.00 0.54 -0.21 0.00 0.00 178.00 178.58 3jut n ARG 114 N -4.44 0.80 -3.95 1.05 5.12 0.18 -4.84 116.66 110.57 3jut n ARG 114 Ca 0.03 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.66 3jut n ARG 114 Cb 0.08 -1.33 -0.04 0.00 -1.16 0.00 0.00 32.46 30.01 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 -2.00 5.19 0.03 0.55 -4.23 -0.88 -4.97 115.64 109.33 3jut s THR 115 Ca 0.25 -0.56 -0.24 0.00 -1.18 0.00 0.00 61.69 59.97 3jut s THR 115 Cb 0.12 -3.57 0.05 0.00 1.34 0.00 0.00 72.50 70.44 3jut s THR 115 CO 0.19 0.07 0.54 -2.28 -0.54 0.00 0.00 174.62 172.60 3jut s HIS 116 N -1.56 -0.46 0.31 3.99 5.04 -1.26 -4.90 115.29 116.44 3jut s HIS 116 Ca 0.34 0.59 -0.29 0.00 -1.54 0.00 0.00 55.06 54.16 3jut s HIS 116 Cb -0.12 0.35 -0.12 0.00 0.04 0.00 0.00 32.58 32.72 3jut s HIS 116 CO 0.27 -0.62 1.38 0.98 -2.34 0.00 0.00 174.74 174.41 3jut n TYR 117 N 0.55 2.40 -0.00 3.88 9.36 -1.26 -2.58 117.16 129.51 3jut n TYR 117 Ca -0.19 0.47 0.00 0.00 3.32 0.00 0.00 57.90 61.50 3jut n TYR 117 Cb 0.59 -2.46 0.00 0.00 -0.63 0.00 0.00 39.34 36.84 3jut n TYR 117 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3jut n GLY 118 N 1.29 0.20 3.79 2.98 0.00 -1.26 -5.05 105.19 107.14 3jut n GLY 118 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.94 4.20 0.41 1.61 -0.21 -1.07 -4.95 119.66 118.72 3jut s GLN 119 Ca 0.00 1.39 0.25 0.00 0.02 0.00 0.00 55.36 57.02 3jut s GLN 119 Cb 0.00 -2.46 0.62 0.00 1.00 0.00 0.00 33.01 32.17 3jut s GLN 119 CO 0.00 -0.09 1.71 0.87 -2.12 0.00 0.00 175.29 175.66 3jut h LYS 120 N 2.38 0.00 -0.72 2.91 1.57 -1.96 -3.31 116.57 117.43 3jut h LYS 120 Ca -0.48 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.47 3jut h LYS 120 Cb 1.21 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.47 3jut h LYS 120 CO 0.62 0.00 0.50 0.00 -0.57 0.00 0.00 179.45 180.00 3jut h ALA 121 N 2.10 2.38 -0.55 3.86 0.00 -1.93 -2.77 119.26 122.35 3jut h ALA 121 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3jut h ALA 121 Cb 0.85 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3jut h ALA 121 CO 0.00 -0.58 0.00 0.44 0.00 0.00 0.00 179.25 179.11 3jut n ILE 122 N -4.42 1.32 -3.81 0.00 -5.35 -1.25 -1.67 119.36 104.19 3jut n ILE 122 Ca 0.14 -1.12 -0.36 0.00 -0.27 0.00 0.00 62.75 61.14 3jut n ILE 122 Cb 0.65 0.34 -0.13 0.00 -1.74 0.00 0.00 39.64 38.76 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 -1.37 3.25 -0.10 7.28 1.43 -1.07 -4.27 118.68 123.84 3jut s LEU 123 Ca 0.41 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 53.25 3jut s LEU 123 Cb 0.24 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.62 3jut s LEU 123 CO 0.24 -0.03 -0.14 -0.36 0.23 0.00 0.00 176.35 176.29 3jut s PHE 124 N 1.57 1.81 -0.36 0.29 0.40 -0.23 -1.55 117.98 119.91 3jut s PHE 124 Ca 0.06 -0.81 -0.18 0.00 -0.60 0.00 0.00 56.93 55.40 3jut s PHE 124 Cb -0.15 -1.32 0.00 0.00 0.51 0.00 0.00 43.02 42.06 3jut s PHE 124 CO 0.01 -0.43 0.50 -1.17 0.70 0.00 0.00 175.22 174.84 3jut s LEU 125 N 0.96 4.42 0.10 -0.37 2.96 -0.77 0.13 118.68 126.10 3jut s LEU 125 Ca -0.08 -0.13 -0.30 0.00 -0.22 0.00 0.00 54.13 53.40 3jut s LEU 125 Cb -0.15 -2.56 -0.06 0.00 0.50 0.00 0.00 46.19 43.92 3jut s LEU 125 CO -0.01 -0.50 1.14 -2.16 -1.32 0.00 0.00 176.35 173.50 3jut s PRO 126 N 2.37 4.51 -0.11 0.98 0.04 -1.26 -1.52 135.00 140.01 3jut s PRO 126 Ca 0.18 1.71 0.02 0.00 0.04 0.00 0.00 61.00 62.95 3jut s PRO 126 Cb -0.16 -3.33 0.01 0.00 0.04 0.00 0.00 34.50 31.06 3jut s PRO 126 CO 0.14 -0.11 -0.17 -0.51 0.04 0.00 0.00 177.00 176.39 3jut s LEU 127 N 0.50 1.80 -0.40 -3.56 2.01 -0.62 -4.98 118.68 113.43 3jut s LEU 127 Ca 0.54 -0.46 -0.29 0.00 0.01 0.00 0.00 54.13 53.94 3jut s LEU 127 Cb -0.28 -1.15 0.01 0.00 0.01 0.00 0.00 46.19 44.78 3jut s LEU 127 CO 0.31 0.03 1.31 -2.84 1.01 0.00 0.00 176.35 176.17 3jut s PRO 128 N 0.93 3.71 -0.24 1.29 0.02 -1.26 -1.95 135.00 137.49 3jut s PRO 128 Ca -0.07 0.93 -0.29 0.00 0.02 0.00 0.00 61.00 61.59 3jut s PRO 128 Cb -0.15 -3.95 -0.03 0.00 0.02 0.00 0.00 34.50 30.39 3jut s PRO 128 CO -0.01 -1.38 1.86 0.54 -0.33 0.00 0.00 177.00 177.67 3jut s VAL 129 N 4.87 3.39 0.00 3.83 0.11 -1.21 -4.98 120.40 126.40 3jut s VAL 129 Ca 0.56 0.42 0.00 0.00 -2.93 0.00 0.00 61.98 60.03 3jut s VAL 129 Cb -0.13 -3.46 0.00 0.00 -1.53 0.00 0.00 36.38 31.26 3jut s VAL 129 CO 0.29 -0.25 0.00 -1.20 -3.33 0.00 0.00 175.10 170.61