#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 3.45 0.91 -1.58 1.02 -1.26 -5.07 119.74 117.21 3jut s LYS 2 Ca 0.00 -0.45 -0.10 0.00 0.02 0.00 0.00 55.97 55.44 3jut s LYS 2 Cb 0.00 -3.01 0.15 0.00 -0.52 0.00 0.00 37.83 34.45 3jut s LYS 2 CO 0.00 0.58 1.13 -1.25 -0.92 0.00 0.00 175.35 174.89 3jut s PRO 3 N -2.68 1.02 -0.05 -1.68 0.04 -1.26 -4.70 135.00 125.70 3jut s PRO 3 Ca 0.35 1.46 -0.05 0.00 0.04 0.00 0.00 61.00 62.81 3jut s PRO 3 Cb -0.13 -1.73 0.01 0.00 0.04 0.00 0.00 34.50 32.69 3jut s PRO 3 CO 0.28 -2.60 0.14 0.15 0.04 0.00 0.00 177.00 175.01 3jut s LYS 4 N -4.67 0.19 0.45 4.56 1.02 0.66 -2.86 119.74 119.09 3jut s LYS 4 Ca 0.66 0.14 -0.20 0.00 0.02 0.00 0.00 55.97 56.59 3jut s LYS 4 Cb -0.22 0.09 -0.10 0.00 -0.52 0.00 0.00 37.83 37.08 3jut s LYS 4 CO 0.58 -0.03 0.98 -0.51 -0.92 0.00 0.00 175.35 175.45 3jut s LEU 5 N -0.06 3.89 -0.26 3.17 1.43 -0.86 -0.51 118.68 125.49 3jut s LEU 5 Ca -0.01 1.76 0.03 0.00 -1.03 0.00 0.00 54.13 54.87 3jut s LEU 5 Cb -0.02 -4.54 0.06 0.00 0.03 0.00 0.00 46.19 41.72 3jut s LEU 5 CO 0.00 -0.51 -0.11 -0.76 0.23 0.00 0.00 176.35 175.20 3jut s LEU 6 N -3.34 3.34 -0.35 1.79 1.43 -1.26 -0.30 118.68 119.98 3jut s LEU 6 Ca 0.63 -1.36 -0.11 0.00 -1.03 0.00 0.00 54.13 52.26 3jut s LEU 6 Cb -0.11 -1.51 0.00 0.00 0.03 0.00 0.00 46.19 44.60 3jut s LEU 6 CO 0.16 -0.19 0.20 -0.47 0.23 0.00 0.00 176.35 176.29 3jut s TYR 7 N 1.13 3.22 -0.20 0.29 5.04 -0.76 -0.85 117.35 125.23 3jut s TYR 7 Ca -0.08 -0.62 -0.27 0.00 -2.44 0.00 0.00 57.07 53.65 3jut s TYR 7 Cb -0.20 -2.43 -0.00 0.00 0.35 0.00 0.00 41.96 39.68 3jut s TYR 7 CO -0.05 -0.51 0.91 0.00 -1.34 0.00 0.00 175.55 174.56 3jut n SER 9 N 5.72 0.21 0.08 0.00 3.41 -1.20 -0.75 113.62 121.08 3jut n SER 9 Ca 0.07 0.53 -0.12 0.00 -0.26 0.00 0.00 58.87 59.09 3jut n SER 9 Cb 0.48 -0.58 -0.05 0.00 -0.26 0.00 0.00 64.21 63.79 3jut n SER 9 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 3jut h ASN 10 N 0.00 -0.92 -0.00 4.04 -1.24 -1.82 -3.33 115.58 112.30 3jut h ASN 10 Ca 0.00 0.12 0.00 0.00 0.71 0.00 0.00 56.30 57.13 3jut h ASN 10 Cb 0.47 0.36 0.00 0.00 0.73 0.00 0.00 38.32 39.88 3jut h ASN 10 CO 0.00 -0.39 -0.01 0.61 -1.29 0.00 0.00 177.43 176.36 3jut n GLY 11 N -1.41 -1.09 1.39 1.57 0.00 -1.25 -4.73 105.19 99.66 3jut n GLY 11 Ca -0.06 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.21 0.86 3.08 -0.02 0.00 0.07 -5.01 105.19 104.38 3jut n GLY 12 Ca 0.02 -0.32 -0.21 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.96 1.09 0.16 1.61 3.76 -1.03 -4.59 115.29 113.33 3jut s HIS 13 Ca 0.00 -0.21 -0.30 0.00 -0.15 0.00 0.00 55.06 54.40 3jut s HIS 13 Cb 0.00 -0.70 -0.07 0.00 1.11 0.00 0.00 32.58 32.92 3jut s HIS 13 CO 0.00 -0.02 1.00 -0.06 -0.85 0.00 0.00 174.74 174.81 3jut s PHE 14 N -0.32 3.79 0.27 1.40 0.08 0.15 -0.08 117.98 123.27 3jut s PHE 14 Ca 0.04 1.77 -0.30 0.00 0.12 0.00 0.00 56.93 58.57 3jut s PHE 14 Cb -0.05 -3.10 -0.10 0.00 -0.57 0.00 0.00 43.02 39.20 3jut s PHE 14 CO -0.00 0.03 1.46 -1.17 -0.10 0.00 0.00 175.22 175.44 3jut s LEU 15 N -0.41 4.38 -0.01 -0.37 2.96 -0.03 -1.76 118.68 123.44 3jut s LEU 15 Ca 0.46 2.74 0.04 0.00 -0.22 0.00 0.00 54.13 57.15 3jut s LEU 15 Cb -0.26 -3.63 -0.01 0.00 0.50 0.00 0.00 46.19 42.79 3jut s LEU 15 CO 0.32 -0.74 -0.14 -0.60 -1.32 0.00 0.00 176.35 173.88 3jut s ARG 16 N -0.57 1.13 -0.30 1.98 3.52 0.36 -4.49 118.95 120.58 3jut s ARG 16 Ca 0.59 -0.49 0.03 0.00 -0.13 0.00 0.00 55.73 55.74 3jut s ARG 16 Cb -0.43 -1.09 0.08 0.00 -1.56 0.00 0.00 34.95 31.96 3jut s ARG 16 CO 0.46 0.28 -0.01 0.42 -0.81 0.00 0.00 175.30 175.64 3jut s ILE 17 N -0.28 2.11 0.50 4.11 1.01 -0.86 -1.84 121.20 125.95 3jut s ILE 17 Ca 0.04 -1.99 -0.13 0.00 0.00 0.00 0.00 60.65 58.58 3jut s ILE 17 Cb -0.06 -2.44 -0.07 0.00 0.01 0.00 0.00 42.46 39.91 3jut s ILE 17 CO -0.00 -0.39 0.91 -0.76 0.00 0.00 0.00 174.94 174.71 3jut s LEU 18 N 1.04 3.62 0.56 2.97 1.43 0.74 -4.81 118.68 124.23 3jut s LEU 18 Ca 0.03 1.37 0.26 0.00 -1.03 0.00 0.00 54.13 54.76 3jut s LEU 18 Cb -0.19 -4.31 1.51 0.00 0.03 0.00 0.00 46.19 43.23 3jut s LEU 18 CO -0.08 -0.57 2.07 -0.65 0.23 0.00 0.00 176.35 177.35 3jut h PRO 19 N 0.78 0.00 0.00 1.29 0.11 -1.98 0.42 132.00 132.62 3jut h PRO 19 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3jut h PRO 19 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3jut h PRO 19 CO 0.62 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.01 3jut n ASP 20 N -4.09 0.00 0.00 -2.05 5.75 -1.26 -4.86 116.55 110.04 3jut n ASP 20 Ca 0.03 0.13 0.00 0.00 -0.01 0.00 0.00 54.79 54.94 3jut n ASP 20 Cb 0.38 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 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 0.79 0.69 3.71 6.12 0.00 0.14 -4.93 105.19 111.71 3jut n GLY 21 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.17 3.66 -0.13 2.61 2.01 -1.26 -1.11 115.64 119.25 3jut s THR 22 Ca 0.00 1.16 -0.02 0.00 0.31 0.00 0.00 61.69 63.14 3jut s THR 22 Cb 0.00 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.74 3jut s THR 22 CO 0.00 0.07 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.23 3jut s VAL 23 N 1.41 3.53 0.00 3.82 1.01 -1.26 -0.19 120.40 128.73 3jut s VAL 23 Ca 0.62 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.11 3jut s VAL 23 Cb -0.33 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.54 3jut s VAL 23 CO 0.29 0.52 0.00 -0.90 0.00 0.00 0.00 175.10 175.01 3jut n ASP 24 N 3.33 0.00 -4.25 3.32 5.75 -0.76 -4.42 116.55 119.53 3jut n ASP 24 Ca -0.18 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.45 3jut n ASP 24 Cb 0.53 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.51 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 1.07 0.02 6.12 0.00 0.14 -0.48 107.32 114.19 3jut s GLY 25 Ca 0.00 -1.44 -0.03 0.00 0.00 0.00 0.00 44.72 43.25 3jut s GLY 25 CO 0.00 -1.53 0.03 -1.08 0.00 0.00 0.00 173.10 170.52 3jut s THR 26 N -3.03 0.12 -2.68 0.90 -1.32 -0.72 -4.84 115.64 104.07 3jut s THR 26 Ca 0.15 -0.96 0.25 0.00 -1.21 0.00 0.00 61.69 59.92 3jut s THR 26 Cb 0.01 -0.50 0.38 0.00 -1.51 0.00 0.00 72.50 70.87 3jut s THR 26 CO 0.01 -0.53 1.49 0.54 -2.21 0.00 0.00 174.62 173.93 3jut n ARG 27 N 1.31 2.03 -2.86 7.08 1.74 -1.26 0.34 116.66 125.04 3jut n ARG 27 Ca -0.22 -1.51 -0.43 0.00 -0.77 0.00 0.00 57.85 54.92 3jut n ARG 27 Cb 0.56 -1.47 -0.04 0.00 -1.02 0.00 0.00 32.46 30.50 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 -1.91 6.20 0.54 0.55 2.15 -1.26 -4.87 116.67 118.07 3jut s ASP 28 Ca 0.33 -0.90 0.36 0.00 0.43 0.00 0.00 52.55 52.77 3jut s ASP 28 Cb 0.20 -2.42 1.84 0.00 -0.30 0.00 0.00 42.92 42.25 3jut s ASP 28 CO 0.31 -1.40 2.10 0.03 -0.17 0.00 0.00 175.17 176.04 3jut h ARG 29 N 9.52 0.00 0.00 4.34 -0.00 -2.03 -1.50 114.38 124.72 3jut h ARG 29 Ca -0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.20 3jut h ARG 29 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.04 3jut h ARG 29 CO 1.16 0.00 0.00 0.43 0.00 0.00 0.00 179.97 181.56 3jut n SER 30 N -2.86 0.00 -4.76 7.04 7.64 -1.26 -4.91 113.62 114.51 3jut n SER 30 Ca -0.01 0.22 -0.36 0.00 1.01 0.00 0.00 58.87 59.73 3jut n SER 30 Cb 0.13 -0.40 0.02 0.00 -1.01 0.00 0.00 64.21 62.95 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 -2.80 5.36 0.03 6.43 2.15 -0.57 -4.90 116.67 122.37 3jut s ASP 31 Ca 0.19 2.32 0.24 0.00 0.43 0.00 0.00 52.55 55.73 3jut s ASP 31 Cb 0.18 -2.59 0.31 0.00 -0.30 0.00 0.00 42.92 40.52 3jut s ASP 31 CO 0.46 -1.47 1.26 0.00 -0.17 0.00 0.00 175.17 175.25 3jut n GLN 32 N -1.51 0.12 -0.58 4.34 1.13 -1.26 -4.14 117.38 115.48 3jut n GLN 32 Ca 0.13 0.01 0.05 0.00 -1.94 0.00 0.00 57.00 55.26 3jut n GLN 32 Cb 0.50 -1.55 0.27 0.00 0.11 0.00 0.00 30.24 29.56 3jut n GLN 32 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 3jut n HIS 33 N -1.71 1.20 0.45 1.08 8.25 -1.26 -4.42 115.22 118.81 3jut n HIS 33 Ca 0.04 -1.00 0.05 0.00 -0.26 0.00 0.00 57.72 56.55 3jut n HIS 33 Cb 0.38 -0.39 -0.05 0.00 1.12 0.00 0.00 29.99 31.05 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 -0.48 0.00 -2.63 1.59 -5.35 -1.26 -2.04 119.36 109.19 3jut n ILE 34 Ca 0.25 -0.29 -0.43 0.00 -0.27 0.00 0.00 62.75 62.02 3jut n ILE 34 Cb 0.99 1.01 -0.02 0.00 -1.74 0.00 0.00 39.64 39.88 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 -1.83 4.31 -0.04 6.28 1.11 -1.26 -4.27 119.66 123.96 3jut s GLN 35 Ca 0.04 1.42 0.05 0.00 0.01 0.00 0.00 55.36 56.88 3jut s GLN 35 Cb 0.07 -3.62 -0.01 0.00 -1.01 0.00 0.00 33.01 28.45 3jut s GLN 35 CO 0.37 -0.53 -0.18 -0.51 0.01 0.00 0.00 175.29 174.45 3jut s LEU 36 N 2.81 1.95 -0.22 2.90 1.43 0.33 -2.07 118.68 125.82 3jut s LEU 36 Ca 0.47 -0.37 -0.05 0.00 -1.03 0.00 0.00 54.13 53.16 3jut s LEU 36 Cb -0.17 -1.01 -0.02 0.00 0.03 0.00 0.00 46.19 45.02 3jut s LEU 36 CO 0.11 0.17 -0.01 -1.58 0.23 0.00 0.00 176.35 175.27 3jut s GLN 37 N -0.04 3.49 -0.04 1.70 2.00 0.65 -0.25 119.66 127.16 3jut s GLN 37 Ca -0.02 -0.57 -0.08 0.00 -2.00 0.00 0.00 55.36 52.68 3jut s GLN 37 Cb -0.11 -3.07 -0.05 0.00 0.80 0.00 0.00 33.01 30.58 3jut s GLN 37 CO 0.02 -0.13 0.24 -0.51 -0.50 0.00 0.00 175.29 174.41 3jut s LEU 38 N 1.34 4.40 -0.07 3.68 1.02 -1.26 -1.18 118.68 126.61 3jut s LEU 38 Ca 0.04 0.59 -0.05 0.00 0.02 0.00 0.00 54.13 54.73 3jut s LEU 38 Cb -0.14 -2.42 0.03 0.00 0.02 0.00 0.00 46.19 43.67 3jut s LEU 38 CO -0.00 0.33 0.18 -0.94 0.02 0.00 0.00 176.35 175.93 3jut s SER 39 N -1.34 -0.18 -0.34 2.29 1.04 -0.99 -4.98 113.70 109.20 3jut s SER 39 Ca 0.22 0.37 -0.24 0.00 0.48 0.00 0.00 55.95 56.78 3jut s SER 39 Cb -0.13 0.32 0.01 0.00 0.10 0.00 0.00 66.02 66.31 3jut s SER 39 CO 0.11 -0.11 0.83 0.00 0.98 0.00 0.00 173.24 175.05 3jut s ALA 40 N 0.63 3.46 0.04 5.32 0.00 -1.26 -0.91 121.76 129.04 3jut s ALA 40 Ca -0.04 -0.51 -0.28 0.00 0.00 0.00 0.00 51.96 51.13 3jut s ALA 40 Cb -0.06 -3.40 -0.16 0.00 0.00 0.00 0.00 23.12 19.51 3jut s ALA 40 CO -0.03 -1.42 1.34 1.49 0.00 0.00 0.00 175.76 177.14 3jut h GLU 41 N 8.34 -0.98 -5.08 0.00 4.57 -1.42 -3.48 114.58 116.54 3jut h GLU 41 Ca -0.24 0.07 -0.65 0.00 -1.18 0.00 0.00 59.36 57.36 3jut h GLU 41 Cb 1.09 0.22 -0.13 0.00 -0.16 0.00 0.00 28.75 29.77 3jut h GLU 41 CO 0.92 -0.66 -0.50 -1.12 -1.18 0.00 0.00 179.01 176.48 3jut s SER 42 N -3.73 3.66 0.20 1.04 0.01 -1.23 -5.04 113.70 108.61 3jut s SER 42 Ca -0.15 -1.72 -0.11 0.00 1.31 0.00 0.00 55.95 55.28 3jut s SER 42 Cb 0.01 0.66 0.19 0.00 0.21 0.00 0.00 66.02 67.09 3jut s SER 42 CO 0.45 -0.96 1.81 0.58 0.41 0.00 0.00 173.24 175.53 3jut h VAL 43 N 1.46 0.99 -0.22 3.43 2.07 -2.02 -2.82 116.25 119.14 3jut h VAL 43 Ca -0.40 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.90 3jut h VAL 43 Cb 1.31 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 3jut h VAL 43 CO 0.65 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.97 3jut n GLY 44 N -1.27 0.58 2.93 2.17 0.00 -1.26 -4.94 105.19 103.41 3jut n GLY 44 Ca 0.06 -0.48 -0.25 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.72 1.40 0.01 1.61 2.02 -1.07 -0.18 118.70 120.77 3jut s GLU 45 Ca 0.33 -0.26 0.04 0.00 0.02 0.00 0.00 54.97 55.11 3jut s GLU 45 Cb 0.18 -1.35 -0.01 0.00 0.10 0.00 0.00 34.13 33.05 3jut s GLU 45 CO 0.27 -0.13 -0.13 0.14 0.02 0.00 0.00 175.26 175.42 3jut s VAL 46 N 1.22 1.03 0.31 2.63 -7.23 0.08 -0.99 120.40 117.46 3jut s VAL 46 Ca -0.05 -0.74 -0.11 0.00 -1.81 0.00 0.00 61.98 59.28 3jut s VAL 46 Cb -0.14 -0.90 -0.07 0.00 0.56 0.00 0.00 36.38 35.83 3jut s VAL 46 CO -0.02 0.16 0.66 -0.31 -0.31 0.00 0.00 175.10 175.27 3jut s TYR 47 N -0.54 3.43 -0.26 2.82 2.02 -0.09 -2.55 117.35 122.18 3jut s TYR 47 Ca 0.03 0.98 0.02 0.00 -0.37 0.00 0.00 57.07 57.72 3jut s TYR 47 Cb -0.06 -2.36 0.07 0.00 -0.40 0.00 0.00 41.96 39.21 3jut s TYR 47 CO 0.00 0.11 -0.03 0.42 -1.57 0.00 0.00 175.55 174.48 3jut s ILE 48 N -2.04 1.70 -0.08 2.71 1.01 -1.26 -2.35 121.20 120.89 3jut s ILE 48 Ca 0.50 -1.50 0.04 0.00 0.00 0.00 0.00 60.65 59.69 3jut s ILE 48 Cb -0.11 -2.02 -0.00 0.00 0.01 0.00 0.00 42.46 40.35 3jut s ILE 48 CO 0.24 -0.23 -0.22 -0.75 0.00 0.00 0.00 174.94 173.98 3jut s LYS 49 N 1.28 2.63 0.11 2.79 2.20 -0.32 -0.84 119.74 127.58 3jut s LYS 49 Ca -0.02 -0.79 -0.31 0.00 -0.36 0.00 0.00 55.97 54.49 3jut s LYS 49 Cb -0.19 -2.07 -0.10 0.00 -1.51 0.00 0.00 37.83 33.96 3jut s LYS 49 CO -0.08 0.21 1.77 0.45 -0.36 0.00 0.00 175.35 177.33 3jut s SER 50 N 0.25 6.48 0.54 1.43 0.15 0.15 -0.25 113.70 122.44 3jut s SER 50 Ca -0.14 2.67 0.34 0.00 0.70 0.00 0.00 55.95 59.52 3jut s SER 50 Cb -0.16 -2.57 1.48 0.00 -1.71 0.00 0.00 66.02 63.06 3jut s SER 50 CO 0.06 -0.96 2.01 0.71 1.20 0.00 0.00 173.24 176.26 3jut h THR 51 N 4.71 0.00 0.00 6.45 1.35 -1.76 0.21 112.91 123.87 3jut h THR 51 Ca -0.45 -0.40 -0.12 0.00 -0.55 0.00 0.00 66.41 64.89 3jut h THR 51 Cb 1.21 1.37 -0.02 0.00 -1.73 0.00 0.00 68.15 68.98 3jut h THR 51 CO 0.94 0.00 -0.75 -0.08 -0.25 0.00 0.00 175.52 175.38 3jut h GLU 52 N 0.00 0.00 0.00 4.72 4.57 -1.80 -3.40 114.58 118.68 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 0.42 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 3jut h GLU 52 CO 0.00 0.72 -1.56 0.25 -1.18 0.00 0.00 179.01 177.25 3jut n THR 53 N -4.53 0.00 -1.44 0.32 -2.24 -1.25 -4.97 114.28 100.17 3jut n THR 53 Ca -0.20 -0.29 -0.13 0.00 -2.27 0.00 0.00 64.05 61.16 3jut n THR 53 Cb 0.50 0.43 -0.05 0.00 -2.10 0.00 0.00 70.33 69.11 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 1.37 1.29 3.87 3.38 0.00 0.72 -5.00 105.19 110.83 3jut n GLY 54 Ca -0.01 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.22 3.84 -0.12 1.61 -0.21 -1.25 -4.69 119.66 115.62 3jut s GLN 55 Ca 0.00 0.33 -0.08 0.00 0.02 0.00 0.00 55.36 55.62 3jut s GLN 55 Cb 0.00 -2.67 -0.04 0.00 1.00 0.00 0.00 33.01 31.29 3jut s GLN 55 CO 0.00 0.33 0.17 0.71 -2.12 0.00 0.00 175.29 174.38 3jut s TYR 56 N -1.78 3.59 0.27 0.91 1.51 0.86 0.33 117.35 123.03 3jut s TYR 56 Ca 0.46 0.56 -0.30 0.00 -1.01 0.00 0.00 57.07 56.79 3jut s TYR 56 Cb -0.12 -2.01 -0.10 0.00 -0.11 0.00 0.00 41.96 39.62 3jut s TYR 56 CO 0.21 0.66 1.46 -1.17 -1.11 0.00 0.00 175.55 175.60 3jut s LEU 57 N -0.84 4.38 0.14 -1.29 2.96 -0.02 0.49 118.68 124.51 3jut s LEU 57 Ca 0.15 2.73 -0.12 0.00 -0.22 0.00 0.00 54.13 56.67 3jut s LEU 57 Cb -0.12 -3.63 0.01 0.00 0.50 0.00 0.00 46.19 42.95 3jut s LEU 57 CO 0.04 -0.73 0.33 0.00 -1.32 0.00 0.00 176.35 174.68 3jut s ALA 58 N -0.12 -0.44 -0.07 5.97 0.00 0.03 -4.31 121.76 122.82 3jut s ALA 58 Ca 0.59 -0.51 0.01 0.00 0.00 0.00 0.00 51.96 52.05 3jut s ALA 58 Cb -0.43 0.73 0.02 0.00 0.00 0.00 0.00 23.12 23.45 3jut s ALA 58 CO 0.45 -0.64 -0.06 1.41 0.00 0.00 0.00 175.76 176.92 3jut s MET 59 N -3.89 1.09 0.93 0.00 1.75 -0.86 -0.86 119.30 117.46 3jut s MET 59 Ca 0.10 -0.15 -0.14 0.00 -1.25 0.00 0.00 55.69 54.25 3jut s MET 59 Cb 0.03 -1.12 0.19 0.00 2.84 0.00 0.00 34.83 36.77 3jut s MET 59 CO -0.06 -0.14 1.27 0.16 -0.65 0.00 0.00 175.02 175.60 3jut s ASP 60 N 1.23 3.29 0.08 1.11 1.47 -0.44 -4.85 116.67 118.56 3jut s ASP 60 Ca -0.05 0.15 0.11 0.00 1.18 0.00 0.00 52.55 53.94 3jut s ASP 60 Cb -0.14 -0.24 0.51 0.00 -0.34 0.00 0.00 42.92 42.71 3jut s ASP 60 CO -0.02 -2.61 1.35 0.35 0.68 0.00 0.00 175.17 174.92 3jut n THR 61 N -3.63 1.36 1.09 2.11 -2.24 -1.26 -1.28 114.28 110.43 3jut n THR 61 Ca 0.15 0.40 0.12 0.00 -2.27 0.00 0.00 64.05 62.46 3jut n THR 61 Cb 0.60 -1.31 0.17 0.00 -2.10 0.00 0.00 70.33 67.69 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 -1.70 2.53 0.00 3.42 8.00 -1.26 -4.95 116.55 122.59 3jut n ASP 62 Ca 0.01 -1.80 0.00 0.00 0.71 0.00 0.00 54.79 53.71 3jut n ASP 62 Cb 0.10 0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 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 1.33 0.74 3.75 0.44 0.00 -0.41 -4.66 105.19 106.38 3jut n GLY 63 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 4.45 0.20 0.99 0.20 -1.26 -0.69 118.68 122.57 3jut s LEU 64 Ca 0.00 1.41 -0.30 0.00 0.69 0.00 0.00 54.13 55.93 3jut s LEU 64 Cb 0.00 -3.19 -0.08 0.00 -0.43 0.00 0.00 46.19 42.49 3jut s LEU 64 CO 0.00 0.03 1.08 -0.76 -0.29 0.00 0.00 176.35 176.41 3jut s LEU 65 N -0.09 4.52 0.10 -0.68 1.43 -1.26 -1.33 118.68 121.37 3jut s LEU 65 Ca 0.37 2.10 -0.09 0.00 -1.03 0.00 0.00 54.13 55.49 3jut s LEU 65 Cb -0.20 -3.61 -0.00 0.00 0.03 0.00 0.00 46.19 42.41 3jut s LEU 65 CO 0.22 -0.16 0.21 -0.72 0.23 0.00 0.00 176.35 176.13 3jut s TYR 66 N -0.51 0.19 -0.29 0.29 -0.85 -0.03 -4.28 117.35 111.85 3jut s TYR 66 Ca 0.47 -0.60 -0.09 0.00 -0.52 0.00 0.00 57.07 56.33 3jut s TYR 66 Cb -0.29 -0.05 -0.02 0.00 0.38 0.00 0.00 41.96 41.98 3jut s TYR 66 CO 0.36 -0.58 0.14 0.20 -1.52 0.00 0.00 175.55 174.15 3jut s GLY 67 N -2.88 1.85 -0.04 5.49 0.00 -0.27 -0.79 107.32 110.69 3jut s GLY 67 Ca 0.07 -1.29 -0.16 0.00 0.00 0.00 0.00 44.72 43.33 3jut s GLY 67 CO -0.09 0.66 0.44 -0.45 0.00 0.00 0.00 173.10 173.66 3jut s SER 68 N 1.63 6.78 0.45 1.64 0.15 0.18 -4.46 113.70 120.08 3jut s SER 68 Ca 0.05 0.93 0.25 0.00 0.70 0.00 0.00 55.95 57.88 3jut s SER 68 Cb -0.16 -2.27 0.72 0.00 -1.71 0.00 0.00 66.02 62.60 3jut s SER 68 CO 0.06 0.20 1.74 1.56 1.20 0.00 0.00 173.24 178.01 3jut h GLN 69 N 5.46 0.00 -4.47 5.44 4.20 -1.91 0.24 115.11 124.07 3jut h GLN 69 Ca -0.47 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 57.98 3jut h GLN 69 Cb 1.20 0.00 -0.21 0.00 0.30 0.00 0.00 27.48 28.77 3jut h GLN 69 CO 0.67 0.10 -0.73 0.95 -0.67 0.00 0.00 178.83 179.15 3jut s THR 70 N -3.40 0.47 0.65 -0.54 -4.23 -1.26 -4.84 115.64 102.49 3jut s THR 70 Ca 0.04 -1.05 -0.15 0.00 -1.18 0.00 0.00 61.69 59.34 3jut s THR 70 Cb 0.07 -0.55 -0.01 0.00 1.34 0.00 0.00 72.50 73.36 3jut s THR 70 CO 0.63 -0.40 1.11 -2.16 -0.54 0.00 0.00 174.62 173.27 3jut s PRO 71 N -1.55 2.86 0.15 3.99 0.04 -1.26 -4.89 135.00 134.34 3jut s PRO 71 Ca -0.11 1.42 -0.14 0.00 0.04 0.00 0.00 61.00 62.21 3jut s PRO 71 Cb -0.10 -1.96 0.05 0.00 0.04 0.00 0.00 34.50 32.53 3jut s PRO 71 CO 0.00 -1.21 0.67 0.27 0.04 0.00 0.00 177.00 176.77 3jut n ASN 72 N -2.29 -1.24 0.31 6.66 2.04 -1.26 -5.03 115.26 114.44 3jut n ASN 72 Ca 0.10 -1.70 0.19 0.00 -0.44 0.00 0.00 54.58 52.73 3jut n ASN 72 Cb 0.52 2.03 1.02 0.00 -2.53 0.00 0.00 39.78 40.81 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 0.00 -0.00 -3.83 4.11 -1.99 -2.13 114.58 110.73 3jut h GLU 73 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.24 3jut h GLU 73 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 3jut h GLU 73 CO 0.25 0.02 -0.09 0.39 0.07 0.00 0.00 179.01 179.65 3jut n GLU 74 N -3.40 0.26 0.00 1.06 1.02 -1.26 -3.68 120.64 114.64 3jut n GLU 74 Ca -0.03 -0.05 0.13 0.00 -0.02 0.00 0.00 57.16 57.19 3jut n GLU 74 Cb 0.12 -1.50 0.30 0.00 -0.02 0.00 0.00 31.44 30.34 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 -2.32 4.43 0.01 0.00 2.01 -1.24 -4.46 118.68 117.10 3jut s LEU 76 Ca 0.27 0.71 0.01 0.00 0.01 0.00 0.00 54.13 55.12 3jut s LEU 76 Cb 0.19 -2.37 -0.01 0.00 0.01 0.00 0.00 46.19 44.02 3jut s LEU 76 CO 0.46 0.35 -0.03 -0.36 1.01 0.00 0.00 176.35 177.79 3jut s PHE 77 N -1.08 0.27 -0.24 0.29 0.08 -1.06 -1.90 117.98 114.34 3jut s PHE 77 Ca 0.20 -0.20 -0.14 0.00 0.12 0.00 0.00 56.93 56.91 3jut s PHE 77 Cb -0.14 -0.18 -0.04 0.00 -0.57 0.00 0.00 43.02 42.09 3jut s PHE 77 CO 0.09 -0.05 0.32 -0.51 -0.10 0.00 0.00 175.22 174.98 3jut s LEU 78 N -0.56 4.10 -0.18 -0.37 1.43 0.52 -0.74 118.68 122.88 3jut s LEU 78 Ca -0.04 0.31 -0.09 0.00 -1.03 0.00 0.00 54.13 53.28 3jut s LEU 78 Cb -0.04 -2.37 -0.05 0.00 0.03 0.00 0.00 46.19 43.76 3jut s LEU 78 CO -0.00 -0.08 0.13 -0.70 0.23 0.00 0.00 176.35 175.93 3jut s GLU 79 N 1.55 4.00 0.02 1.70 2.12 0.75 -1.89 118.70 126.95 3jut s GLU 79 Ca 0.14 -0.20 0.05 0.00 0.36 0.00 0.00 54.97 55.33 3jut s GLU 79 Cb -0.15 -3.36 -0.02 0.00 0.26 0.00 0.00 34.13 30.86 3jut s GLU 79 CO 0.08 0.42 -0.16 1.03 -0.54 0.00 0.00 175.26 176.09 3jut s ARG 80 N 0.01 1.14 -0.18 4.30 1.81 -0.67 -4.88 118.95 120.49 3jut s ARG 80 Ca 0.10 -0.72 -0.22 0.00 -1.72 0.00 0.00 55.73 53.17 3jut s ARG 80 Cb -0.11 -1.16 -0.02 0.00 -0.45 0.00 0.00 34.95 33.21 3jut s ARG 80 CO -0.00 0.30 0.69 -1.17 -0.68 0.00 0.00 175.30 174.44 3jut s LEU 81 N -0.86 4.17 0.55 2.53 0.20 -1.26 -0.86 118.68 123.15 3jut s LEU 81 Ca 0.04 0.96 0.08 0.00 0.69 0.00 0.00 54.13 55.90 3jut s LEU 81 Cb -0.07 -3.00 0.06 0.00 -0.43 0.00 0.00 46.19 42.74 3jut s LEU 81 CO 0.01 -0.29 0.59 -1.61 -0.29 0.00 0.00 176.35 174.76 3jut s GLU 82 N 1.86 2.31 0.00 1.98 0.41 0.74 -4.94 118.70 121.06 3jut s GLU 82 Ca 0.32 -1.79 0.00 0.00 -0.41 0.00 0.00 54.97 53.09 3jut s GLU 82 Cb -0.16 -2.40 0.00 0.00 -1.78 0.00 0.00 34.13 29.79 3jut s GLU 82 CO 0.12 -0.70 0.44 -1.91 -0.49 0.00 0.00 175.26 172.71 3jut n GLU 83 N -1.98 0.00 -0.86 1.61 0.00 -1.26 -3.32 120.64 114.82 3jut n GLU 83 Ca 0.07 0.42 -0.12 0.00 0.00 0.00 0.00 57.16 57.53 3jut n GLU 83 Cb 0.63 -0.94 -0.02 0.00 0.00 0.00 0.00 31.44 31.11 3jut n GLU 83 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3jut n ASN 84 N -0.85 5.94 0.00 4.31 5.03 -1.26 -4.65 115.26 123.77 3jut n ASN 84 Ca 0.00 -2.79 0.00 0.00 0.87 0.00 0.00 54.58 52.66 3jut n ASN 84 Cb 0.00 -1.16 0.00 0.00 -1.02 0.00 0.00 39.78 37.60 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 1.10 0.00 -2.40 3.10 8.25 -1.21 -5.02 115.22 119.03 3jut n HIS 85 Ca 0.25 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.33 3jut n HIS 85 Cb 0.60 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.68 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 -3.92 3.23 0.27 4.41 2.02 -1.26 -4.42 117.35 117.68 3jut s TYR 86 Ca 0.00 1.61 0.07 0.00 -0.37 0.00 0.00 57.07 58.38 3jut s TYR 86 Cb 0.00 -3.29 -0.03 0.00 -0.40 0.00 0.00 41.96 38.23 3jut s TYR 86 CO 0.00 -0.96 0.21 -0.80 -1.57 0.00 0.00 175.55 172.43 3jut s ASN 87 N -1.21 5.47 0.30 2.29 0.01 0.22 -0.18 114.94 121.83 3jut s ASN 87 Ca 0.55 -0.30 0.10 0.00 -0.71 0.00 0.00 52.86 52.50 3jut s ASN 87 Cb -0.28 -1.31 -0.05 0.00 0.41 0.00 0.00 41.25 40.01 3jut s ASN 87 CO 0.36 -0.10 -0.06 0.42 -1.51 0.00 0.00 177.10 176.20 3jut s THR 88 N -2.17 2.78 -0.18 1.60 -4.23 -0.03 -1.14 115.64 112.26 3jut s THR 88 Ca 0.34 -2.10 -0.05 0.00 -1.18 0.00 0.00 61.69 58.70 3jut s THR 88 Cb -0.07 -2.65 0.06 0.00 1.34 0.00 0.00 72.50 71.18 3jut s THR 88 CO 0.25 -0.31 0.09 -0.31 -0.54 0.00 0.00 174.62 173.80 3jut s TYR 89 N -2.47 0.32 -0.06 3.99 1.51 -1.26 -1.67 117.35 117.72 3jut s TYR 89 Ca 0.32 -0.43 0.01 0.00 -1.01 0.00 0.00 57.07 55.96 3jut s TYR 89 Cb -0.03 -0.75 -0.03 0.00 -0.11 0.00 0.00 41.96 41.03 3jut s TYR 89 CO 0.18 -0.55 -0.05 -1.50 -1.11 0.00 0.00 175.55 172.52 3jut s ILE 90 N 2.10 3.81 0.04 2.71 2.07 -0.79 -1.55 121.20 129.58 3jut s ILE 90 Ca 0.02 -0.50 -0.30 0.00 -1.41 0.00 0.00 60.65 58.46 3jut s ILE 90 Cb -0.16 -2.59 -0.08 0.00 0.13 0.00 0.00 42.46 39.77 3jut s ILE 90 CO -0.11 0.56 1.66 -0.55 -1.91 0.00 0.00 174.94 174.59 3jut s SER 91 N -0.96 6.62 0.10 4.50 0.15 -0.56 -0.35 113.70 123.20 3jut s SER 91 Ca 0.14 2.42 -0.28 0.00 0.70 0.00 0.00 55.95 58.93 3jut s SER 91 Cb -0.11 -2.55 -0.11 0.00 -1.71 0.00 0.00 66.02 61.53 3jut s SER 91 CO 0.03 -0.90 1.65 0.50 1.20 0.00 0.00 173.24 175.72 3jut h LYS 92 N 8.69 -0.48 -0.15 5.44 3.64 -1.70 0.17 116.57 132.18 3jut h LYS 92 Ca -0.42 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.04 3jut h LYS 92 Cb 1.20 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 3jut h LYS 92 CO 0.93 -0.32 0.18 -0.22 -2.27 0.00 0.00 179.45 177.75 3jut h LYS 93 N -0.50 0.00 -0.42 1.90 3.64 -1.77 0.72 116.57 120.14 3jut h LYS 93 Ca 0.00 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.07 3jut h LYS 93 Cb 0.47 0.00 -0.31 0.00 -0.41 0.00 0.00 32.23 31.98 3jut h LYS 93 CO -0.06 0.00 -0.81 0.72 -2.27 0.00 0.00 179.45 177.03 3jut n HIS 94 N -3.79 1.47 0.24 1.91 8.25 -1.12 -4.84 115.22 117.34 3jut n HIS 94 Ca 0.01 -1.84 0.08 0.00 -0.26 0.00 0.00 57.72 55.71 3jut n HIS 94 Cb 0.29 -0.28 0.58 0.00 1.12 0.00 0.00 29.99 31.70 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 1.82 1.60 0.00 -1.41 0.00 0.18 -2.82 119.26 118.64 3jut h ALA 95 Ca 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3jut h ALA 95 Cb 1.39 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.15 3jut h ALA 95 CO 0.39 0.20 -0.11 1.05 0.00 0.00 0.00 179.25 180.78 3jut h GLU 96 N 0.00 0.00 0.00 0.00 9.09 -1.86 -1.57 114.58 120.25 3jut h GLU 96 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3jut h GLU 96 Cb 0.30 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.40 3jut h GLU 96 CO 0.02 0.11 -1.07 1.63 0.05 0.00 0.00 179.01 179.74 3jut n LYS 97 N -3.70 0.37 -2.90 1.06 5.02 -1.07 -4.97 118.16 111.97 3jut n LYS 97 Ca -0.02 0.01 -0.09 0.00 -2.02 0.00 0.00 58.31 56.18 3jut n LYS 97 Cb 0.22 -1.63 0.03 0.00 -0.02 0.00 0.00 35.03 33.63 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 -2.11 -3.71 -4.70 4.39 5.03 -0.59 -5.00 115.26 108.57 3jut n ASN 98 Ca 0.01 -0.20 -0.40 0.00 0.87 0.00 0.00 54.58 54.85 3jut n ASN 98 Cb 0.46 -2.29 -0.04 0.00 -1.02 0.00 0.00 39.78 36.89 3jut n ASN 98 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 3jut s TRP 99 N -3.09 3.56 0.14 3.10 0.52 -1.22 -4.77 118.94 117.18 3jut s TRP 99 Ca 0.22 1.32 0.07 0.00 0.02 0.00 0.00 56.10 57.73 3jut s TRP 99 Cb -0.10 -2.90 -0.04 0.00 -1.15 0.00 0.00 33.47 29.28 3jut s TRP 99 CO 0.27 0.00 -0.04 -0.06 0.02 0.00 0.00 176.95 177.15 3jut s PHE 100 N 1.12 2.82 0.18 -1.98 0.40 -1.26 -1.50 117.98 117.76 3jut s PHE 100 Ca 0.40 -0.13 -0.32 0.00 -0.60 0.00 0.00 56.93 56.28 3jut s PHE 100 Cb -0.18 -1.42 -0.11 0.00 0.51 0.00 0.00 43.02 41.82 3jut s PHE 100 CO 0.19 0.48 1.71 0.08 0.70 0.00 0.00 175.22 178.37 3jut s VAL 101 N -1.49 2.26 0.02 -0.44 1.01 -0.59 -4.30 120.40 116.87 3jut s VAL 101 Ca 0.25 0.12 -0.27 0.00 0.00 0.00 0.00 61.98 62.08 3jut s VAL 101 Cb -0.10 -3.08 0.07 0.00 0.00 0.00 0.00 36.38 33.26 3jut s VAL 101 CO 0.17 0.01 0.62 -0.83 0.00 0.00 0.00 175.10 175.06 3jut s GLY 102 N 1.46 -0.55 -0.03 4.51 0.00 -1.26 -4.34 107.32 107.11 3jut s GLY 102 Ca 0.75 0.95 0.04 0.00 0.00 0.00 0.00 44.72 46.46 3jut s GLY 102 CO 0.33 0.62 -0.14 1.08 0.00 0.00 0.00 173.10 174.98 3jut s LEU 103 N -1.72 1.88 1.24 0.66 1.43 -0.50 -1.84 118.68 119.83 3jut s LEU 103 Ca -0.07 -0.29 -0.18 0.00 -1.03 0.00 0.00 54.13 52.56 3jut s LEU 103 Cb -0.01 -0.82 0.30 0.00 0.03 0.00 0.00 46.19 45.69 3jut s LEU 103 CO 0.02 0.13 1.03 -0.54 0.23 0.00 0.00 176.35 177.22 3jut s LYS 104 N 0.05 -1.50 0.53 1.70 1.02 0.24 -4.45 119.74 117.33 3jut s LYS 104 Ca -0.03 0.25 0.32 0.00 0.02 0.00 0.00 55.97 56.53 3jut s LYS 104 Cb -0.10 -1.54 1.20 0.00 -0.52 0.00 0.00 37.83 36.88 3jut s LYS 104 CO 0.01 -3.96 1.92 0.87 -0.92 0.00 0.00 175.35 173.28 3jut h LYS 105 N -2.77 0.00 -0.00 1.68 1.57 -1.87 -2.67 116.57 112.51 3jut h LYS 105 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 3jut h LYS 105 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 3jut h LYS 105 CO 0.39 0.02 -0.03 0.27 -0.57 0.00 0.00 179.45 179.53 3jut n ASN 106 N -3.11 0.49 0.00 0.86 0.23 -1.26 -4.49 115.26 107.98 3jut n ASN 106 Ca 0.01 -0.96 0.00 0.00 -0.53 0.00 0.00 54.58 53.10 3jut n ASN 106 Cb 0.34 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 38.01 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 1.13 1.13 3.74 4.83 0.00 -1.01 -4.95 105.19 110.05 3jut n GLY 107 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.94 4.44 0.26 1.61 0.01 -1.26 0.25 113.70 116.08 3jut s SER 108 Ca 0.00 2.21 -0.29 0.00 1.31 0.00 0.00 55.95 59.19 3jut s SER 108 Cb 0.00 -2.57 -0.09 0.00 0.21 0.00 0.00 66.02 63.56 3jut s SER 108 CO 0.00 -2.09 0.93 0.00 0.41 0.00 0.00 173.24 172.49 3jut s LYS 110 N -1.43 4.23 0.53 0.00 2.20 -0.77 -4.68 119.74 119.82 3jut s LYS 110 Ca 0.43 0.11 -0.16 0.00 -0.36 0.00 0.00 55.97 55.99 3jut s LYS 110 Cb -0.24 -3.46 -0.07 0.00 -1.51 0.00 0.00 37.83 32.55 3jut s LYS 110 CO 0.29 0.15 1.00 1.03 -0.36 0.00 0.00 175.35 177.47 3jut s ARG 111 N 0.72 3.84 0.23 4.03 0.52 -1.26 -4.26 118.95 122.77 3jut s ARG 111 Ca 0.17 1.00 -0.17 0.00 -0.52 0.00 0.00 55.73 56.21 3jut s ARG 111 Cb -0.14 -2.12 0.25 0.00 0.52 0.00 0.00 34.95 33.47 3jut s ARG 111 CO 0.05 -0.36 1.56 0.78 0.02 0.00 0.00 175.30 177.34 3jut h GLY 112 N 0.82 0.12 2.00 -3.53 0.00 -1.09 -1.79 103.07 99.60 3jut h GLY 112 Ca -0.47 0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3jut h GLY 112 CO 0.61 -0.22 0.00 -0.56 0.00 0.00 0.00 176.54 176.37 3jut h PRO 113 N -0.01 0.00 -0.21 4.80 0.13 -1.86 -1.58 132.00 133.27 3jut h PRO 113 Ca 0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.48 3jut h PRO 113 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 3jut h PRO 113 CO -0.97 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 177.34 3jut n ARG 114 N -2.41 1.84 -3.98 0.86 5.12 -0.68 -4.90 116.66 112.51 3jut n ARG 114 Ca 0.02 -1.27 -0.23 0.00 -1.93 0.00 0.00 57.85 54.44 3jut n ARG 114 Cb 0.26 -1.40 -0.03 0.00 -1.16 0.00 0.00 32.46 30.13 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 -1.73 5.17 -0.11 0.55 -4.23 -0.59 -4.90 115.64 109.79 3jut s THR 115 Ca 0.32 -0.93 -0.30 0.00 -1.18 0.00 0.00 61.69 59.60 3jut s THR 115 Cb 0.18 -3.75 0.09 0.00 1.34 0.00 0.00 72.50 70.36 3jut s THR 115 CO 0.26 -0.24 0.82 -2.28 -0.54 0.00 0.00 174.62 172.64 3jut s HIS 116 N -1.90 -0.54 0.19 3.99 5.04 -1.26 -4.88 115.29 115.93 3jut s HIS 116 Ca 0.34 0.95 -0.33 0.00 -1.54 0.00 0.00 55.06 54.48 3jut s HIS 116 Cb -0.10 0.42 -0.13 0.00 0.04 0.00 0.00 32.58 32.81 3jut s HIS 116 CO 0.28 -0.48 1.59 0.98 -2.34 0.00 0.00 174.74 174.77 3jut n TYR 117 N 0.93 2.41 0.00 3.88 9.36 -1.26 -2.66 117.16 129.82 3jut n TYR 117 Ca -0.15 0.24 0.00 0.00 3.32 0.00 0.00 57.90 61.31 3jut n TYR 117 Cb 0.57 -2.57 0.00 0.00 -0.63 0.00 0.00 39.34 36.72 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 3.28 1.97 3.82 2.98 0.00 -1.26 -5.10 105.19 110.88 3jut n GLY 118 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.46 3.60 0.24 1.61 -0.21 -1.09 -4.97 119.66 118.39 3jut s GLN 119 Ca 0.00 1.13 0.22 0.00 0.02 0.00 0.00 55.36 56.73 3jut s GLN 119 Cb 0.00 -2.08 0.06 0.00 1.00 0.00 0.00 33.01 32.00 3jut s GLN 119 CO 0.00 -0.57 1.16 0.87 -2.12 0.00 0.00 175.29 174.63 3jut h LYS 120 N 0.74 0.00 -0.41 2.91 1.57 -1.96 -3.30 116.57 116.12 3jut h LYS 120 Ca -0.47 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.43 3jut h LYS 120 Cb 1.21 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 3jut h LYS 120 CO 0.59 0.05 0.35 0.00 -0.57 0.00 0.00 179.45 179.87 3jut h ALA 121 N 1.92 2.22 -0.02 3.86 0.00 -1.94 -2.37 119.26 122.93 3jut h ALA 121 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3jut h ALA 121 Cb 1.07 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3jut h ALA 121 CO 0.01 -0.56 -0.02 0.44 0.00 0.00 0.00 179.25 179.12 3jut n ILE 122 N -4.04 0.00 -3.29 0.00 -5.35 -1.24 -1.41 119.36 104.03 3jut n ILE 122 Ca 0.07 -0.49 -0.40 0.00 -0.27 0.00 0.00 62.75 61.66 3jut n ILE 122 Cb 0.54 1.38 -0.08 0.00 -1.74 0.00 0.00 39.64 39.74 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 -1.58 4.06 -0.18 7.28 1.43 -0.90 -4.44 118.68 124.36 3jut s LEU 123 Ca 0.21 0.46 0.01 0.00 -1.03 0.00 0.00 54.13 53.78 3jut s LEU 123 Cb 0.15 -2.59 0.04 0.00 0.03 0.00 0.00 46.19 43.82 3jut s LEU 123 CO 0.24 -0.24 -0.11 -0.36 0.23 0.00 0.00 176.35 176.11 3jut s PHE 124 N 2.15 2.27 -0.47 0.29 0.40 -0.29 -3.23 117.98 119.09 3jut s PHE 124 Ca 0.19 -1.43 -0.26 0.00 -0.60 0.00 0.00 56.93 54.83 3jut s PHE 124 Cb -0.16 -1.59 0.03 0.00 0.51 0.00 0.00 43.02 41.81 3jut s PHE 124 CO 0.09 -0.71 0.96 -1.17 0.70 0.00 0.00 175.22 175.09 3jut s LEU 125 N 1.45 3.96 -0.21 -0.37 2.96 -0.72 0.69 118.68 126.44 3jut s LEU 125 Ca 0.01 0.13 -0.29 0.00 -0.22 0.00 0.00 54.13 53.75 3jut s LEU 125 Cb -0.15 -3.21 -0.02 0.00 0.50 0.00 0.00 46.19 43.30 3jut s LEU 125 CO -0.09 -1.10 1.49 -2.16 -1.32 0.00 0.00 176.35 173.17 3jut s PRO 126 N 3.88 3.93 -0.60 0.98 0.04 -1.26 -1.82 135.00 140.14 3jut s PRO 126 Ca 0.38 1.61 -0.05 0.00 0.04 0.00 0.00 61.00 62.98 3jut s PRO 126 Cb -0.10 -3.95 0.16 0.00 0.04 0.00 0.00 34.50 30.65 3jut s PRO 126 CO 0.27 -1.12 0.44 -0.51 0.04 0.00 0.00 177.00 176.12 3jut s LEU 127 N 4.62 5.52 -0.12 -3.56 2.01 0.58 -4.97 118.68 122.76 3jut s LEU 127 Ca 0.65 -2.60 -0.35 0.00 0.01 0.00 0.00 54.13 51.85 3jut s LEU 127 Cb -0.23 -1.92 -0.12 0.00 0.01 0.00 0.00 46.19 43.93 3jut s LEU 127 CO 0.26 -0.46 1.88 -0.81 1.01 0.00 0.00 176.35 178.22 3jut n PRO 128 N 3.89 2.04 -2.84 1.29 -0.04 -1.26 -2.03 135.00 136.05 3jut n PRO 128 Ca 0.05 0.74 -0.42 0.00 -0.04 0.00 0.00 63.50 63.83 3jut n PRO 128 Cb 0.40 -2.59 -0.04 0.00 -0.04 0.00 0.00 33.50 31.23 3jut n PRO 128 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3jut s VAL 129 N 4.19 4.65 0.00 0.52 0.11 -1.13 -4.94 120.40 123.79 3jut s VAL 129 Ca 0.94 1.20 0.00 0.00 -2.93 0.00 0.00 61.98 61.19 3jut s VAL 129 Cb -0.73 -4.28 0.00 0.00 -1.53 0.00 0.00 36.38 29.84 3jut s VAL 129 CO 0.53 -0.45 0.00 -1.20 -3.33 0.00 0.00 175.10 170.65