#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jut h GLN 3 N 0.00 0.41 0.02 1.64 7.50 -1.99 -0.56 115.11 122.13 1jut h GLN 3 Ca 0.00 -0.02 -0.00 0.00 0.50 0.00 0.00 58.65 59.12 1jut h GLN 3 Cb 0.00 -0.09 0.00 0.00 0.05 0.00 0.00 27.48 27.44 1jut h GLN 3 CO 0.00 0.27 -0.01 -0.92 -1.50 0.00 0.00 178.83 176.67 1jut h TYR 4 N 0.42 -0.02 -0.68 2.96 3.20 -1.99 -1.67 116.97 119.19 1jut h TYR 4 Ca 0.13 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.95 1jut h TYR 4 Cb -0.02 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 1jut h TYR 4 CO -0.07 -0.01 0.24 -0.07 -1.64 0.00 0.00 178.16 176.61 1jut h LEU 5 N -0.03 0.94 -1.57 2.82 3.38 -1.97 -1.42 115.31 117.46 1jut h LEU 5 Ca -0.00 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1jut h LEU 5 Cb 0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1jut h LEU 5 CO 0.00 0.86 -0.20 -0.33 0.09 0.00 0.00 178.44 178.87 1jut h GLU 6 N 0.99 0.02 -0.23 1.13 5.08 -0.86 -1.58 114.58 119.13 1jut h GLU 6 Ca 0.23 -0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.45 1jut h GLU 6 Cb 0.24 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1jut h GLU 6 CO -0.01 0.22 -0.36 1.25 -1.00 0.00 0.00 179.01 179.11 1jut h LEU 7 N 0.02 0.71 0.48 1.33 5.85 -0.33 -2.05 115.31 121.32 1jut h LEU 7 Ca 0.00 -0.52 -0.01 0.00 0.84 0.00 0.00 57.88 58.19 1jut h LEU 7 Cb 0.37 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1jut h LEU 7 CO 0.03 1.09 -0.37 0.24 -0.34 0.00 0.00 178.44 179.09 1jut h MET 8 N 0.35 -0.81 -0.07 1.25 2.86 -0.70 -1.55 114.93 116.25 1jut h MET 8 Ca 0.02 0.06 0.02 0.00 -2.06 0.00 0.00 59.70 57.74 1jut h MET 8 Cb 0.95 0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.79 1jut h MET 8 CO 0.08 -0.54 0.11 0.37 1.06 0.00 0.00 176.91 177.99 1jut h GLN 9 N -0.84 0.00 -0.10 1.72 4.15 -1.32 -0.83 115.11 117.89 1jut h GLN 9 Ca -0.05 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.16 1jut h GLN 9 Cb 0.72 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.42 1jut h GLN 9 CO 0.00 0.00 -0.74 -0.22 -1.93 0.00 0.00 178.83 175.94 1jut h LYS 10 N 0.00 0.68 -0.80 1.69 3.64 -0.56 0.19 116.57 121.41 1jut h LYS 10 Ca 0.03 -0.60 -0.03 0.00 -1.27 0.00 0.00 60.65 58.78 1jut h LYS 10 Cb 0.25 0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 1jut h LYS 10 CO -0.00 1.21 0.38 0.28 -2.27 0.00 0.00 179.45 179.04 1jut h VAL 11 N 0.35 1.25 -0.37 2.00 2.07 -0.28 0.51 116.25 121.78 1jut h VAL 11 Ca -0.07 -0.72 -0.12 0.00 0.82 0.00 0.00 66.70 66.62 1jut h VAL 11 Cb 1.39 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 1jut h VAL 11 CO 0.15 0.30 -0.25 -0.07 0.02 0.00 0.00 177.57 177.72 1jut h LEU 12 N 1.14 0.76 -0.33 2.57 3.38 -1.18 0.49 115.31 122.14 1jut h LEU 12 Ca 0.27 -0.28 -0.20 0.00 0.09 0.00 0.00 57.88 57.76 1jut h LEU 12 Cb 0.13 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 1jut h LEU 12 CO -0.03 0.98 -0.80 0.44 0.09 0.00 0.00 178.44 179.12 1jut h ASP 13 N 0.64 0.49 0.00 -0.43 3.32 0.06 -3.38 116.42 117.12 1jut h ASP 13 Ca 0.08 -0.35 -0.03 0.00 0.02 0.00 0.00 57.03 56.76 1jut h ASP 13 Cb 0.76 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 40.11 1jut h ASP 13 CO 0.06 1.11 -0.49 -1.84 -1.72 0.00 0.00 179.24 176.36 1jut n GLU 14 N -3.80 0.31 -2.03 3.56 0.28 0.11 -5.08 120.64 114.00 1jut n GLU 14 Ca -0.05 -1.56 -0.32 0.00 -0.16 0.00 0.00 57.16 55.07 1jut n GLU 14 Cb 0.75 -0.66 0.01 0.00 1.43 0.00 0.00 31.44 32.97 1jut n GLU 14 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1jut s GLY 15 N -1.61 1.99 -0.12 -1.84 0.00 0.17 -4.80 107.32 101.11 1jut s GLY 15 Ca 0.13 0.25 0.01 0.00 0.00 0.00 0.00 44.72 45.10 1jut s GLY 15 CO -0.02 0.55 -0.13 -1.59 0.00 0.00 0.00 173.10 171.90 1jut s THR 16 N -2.66 3.06 0.17 0.90 2.01 -0.11 -4.73 115.64 114.28 1jut s THR 16 Ca 0.61 -0.67 -0.32 0.00 0.31 0.00 0.00 61.69 61.62 1jut s THR 16 Cb -0.14 -2.27 -0.11 0.00 0.01 0.00 0.00 72.50 69.99 1jut s THR 16 CO 0.40 0.54 1.78 0.00 -0.69 0.00 0.00 174.62 176.65 1jut n GLN 17 N 3.30 2.79 -4.12 4.92 6.02 -1.26 -1.49 117.38 127.54 1jut n GLN 17 Ca -0.18 1.01 -0.15 0.00 -0.01 0.00 0.00 57.00 57.67 1jut n GLN 17 Cb 0.53 -2.88 -0.13 0.00 1.02 0.00 0.00 30.24 28.78 1jut n GLN 17 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1jut s LYS 18 N 1.90 0.53 0.33 -1.09 2.20 0.15 -4.94 119.74 118.82 1jut s LYS 18 Ca 0.78 -0.56 -0.10 0.00 -0.36 0.00 0.00 55.97 55.74 1jut s LYS 18 Cb -0.49 -0.40 -0.07 0.00 -1.51 0.00 0.00 37.83 35.36 1jut s LYS 18 CO 0.34 0.09 0.67 -0.80 -0.36 0.00 0.00 175.35 175.30 1jut s ASN 19 N -1.02 6.58 0.12 1.43 0.01 -1.26 -0.38 114.94 120.42 1jut s ASN 19 Ca -0.05 1.04 -0.03 0.00 -0.71 0.00 0.00 52.86 53.11 1jut s ASN 19 Cb -0.07 -2.28 -0.03 0.00 0.41 0.00 0.00 41.25 39.28 1jut s ASN 19 CO 0.00 -0.25 0.09 1.51 -1.51 0.00 0.00 177.10 176.95 1jut s ASP 20 N -2.79 0.28 0.29 -1.22 -4.77 -1.26 -4.85 116.67 102.35 1jut s ASP 20 Ca 0.50 -1.07 0.12 0.00 -3.30 0.00 0.00 52.55 48.80 1jut s ASP 20 Cb -0.11 0.31 0.96 0.00 -1.09 0.00 0.00 42.92 42.99 1jut s ASP 20 CO 0.26 -0.74 1.32 -1.14 0.70 0.00 0.00 175.17 175.57 1jut n ARG 21 N -0.08 -0.06 0.00 2.11 0.63 -1.26 0.13 116.66 118.13 1jut n ARG 21 Ca -0.08 1.20 0.14 0.00 -0.92 0.00 0.00 57.85 58.19 1jut n ARG 21 Cb 0.63 -2.05 0.63 0.00 0.45 0.00 0.00 32.46 32.12 1jut n ARG 21 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1jut n THR 22 N -5.01 0.00 -1.04 5.15 -2.24 -1.26 -4.91 114.28 104.97 1jut n THR 22 Ca 0.28 -0.01 -0.01 0.00 -2.27 0.00 0.00 64.05 62.03 1jut n THR 22 Cb 0.93 -0.35 -0.01 0.00 -2.10 0.00 0.00 70.33 68.80 1jut n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jut n GLY 23 N 1.38 0.46 0.14 3.38 0.00 0.35 -4.91 105.19 106.00 1jut n GLY 23 Ca 0.11 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.74 1jut n GLY 23 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jut h THR 24 N 0.00 0.96 0.00 2.61 2.02 -1.91 -3.47 112.91 113.11 1jut h THR 24 Ca -0.03 -2.54 0.00 0.00 0.77 0.00 0.00 66.41 64.61 1jut h THR 24 Cb 0.30 2.76 0.00 0.00 -1.74 0.00 0.00 68.15 69.47 1jut h THR 24 CO 0.04 0.85 0.00 0.61 0.37 0.00 0.00 175.52 177.39 1jut n GLY 25 N 1.84 0.75 3.28 2.16 0.00 -1.26 -4.59 105.19 107.37 1jut n GLY 25 Ca -0.24 -1.45 -0.15 0.00 0.00 0.00 0.00 46.02 44.18 1jut n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jut s THR 26 N -1.16 0.65 -0.24 2.61 -4.23 0.49 -1.35 115.64 112.41 1jut s THR 26 Ca 0.00 -1.99 -0.03 0.00 -1.18 0.00 0.00 61.69 58.48 1jut s THR 26 Cb 0.00 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.47 1jut s THR 26 CO 0.00 -0.24 -0.04 -0.22 -0.54 0.00 0.00 174.62 173.58 1jut s LEU 27 N -3.25 3.06 -0.01 4.79 2.96 0.58 -0.67 118.68 126.14 1jut s LEU 27 Ca 0.31 -0.56 0.04 0.00 -0.22 0.00 0.00 54.13 53.69 1jut s LEU 27 Cb 0.07 -1.73 -0.01 0.00 0.50 0.00 0.00 46.19 45.02 1jut s LEU 27 CO 0.09 -0.07 -0.12 -0.55 -1.32 0.00 0.00 176.35 174.38 1jut s SER 28 N 1.44 1.41 0.24 3.68 0.15 -0.56 -0.84 113.70 119.22 1jut s SER 28 Ca 0.04 -0.22 0.11 0.00 0.70 0.00 0.00 55.95 56.58 1jut s SER 28 Cb -0.15 -0.15 -0.05 0.00 -1.71 0.00 0.00 66.02 63.96 1jut s SER 28 CO -0.03 0.14 -0.21 0.27 1.20 0.00 0.00 173.24 174.61 1jut s ILE 29 N -0.30 2.35 -0.14 6.45 -4.36 -0.36 -0.93 121.20 123.91 1jut s ILE 29 Ca 0.04 -2.25 0.01 0.00 -0.26 0.00 0.00 60.65 58.19 1jut s ILE 29 Cb -0.05 -2.20 0.02 0.00 1.25 0.00 0.00 42.46 41.48 1jut s ILE 29 CO -0.00 -0.33 -0.16 0.12 0.24 0.00 0.00 174.94 174.81 1jut s PHE 30 N -2.27 2.26 0.00 1.37 5.36 -1.26 -1.30 117.98 122.15 1jut s PHE 30 Ca 0.26 -1.22 0.00 0.00 -0.96 0.00 0.00 56.93 55.01 1jut s PHE 30 Cb -0.06 -1.62 0.00 0.00 -0.34 0.00 0.00 43.02 41.00 1jut s PHE 30 CO 0.12 -0.63 0.00 0.41 -1.46 0.00 0.00 175.22 173.66 1jut n GLY 31 N 4.51 -1.49 3.43 13.12 0.00 -0.50 -5.02 105.19 119.24 1jut n GLY 31 Ca -0.18 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 1jut n GLY 31 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1jut s HIS 32 N 0.00 -0.54 -0.19 1.61 5.04 -0.97 -4.96 115.29 115.27 1jut s HIS 32 Ca 0.00 0.41 -0.15 0.00 -1.54 0.00 0.00 55.06 53.78 1jut s HIS 32 Cb 0.00 0.53 0.05 0.00 0.04 0.00 0.00 32.58 33.20 1jut s HIS 32 CO 0.00 -0.81 0.50 -1.14 -2.34 0.00 0.00 174.74 170.95 1jut s GLN 33 N -3.42 0.55 0.04 2.88 0.74 -1.26 -0.82 119.66 118.39 1jut s GLN 33 Ca -0.01 0.78 -0.06 0.00 0.05 0.00 0.00 55.36 56.13 1jut s GLN 33 Cb -0.01 0.19 -0.01 0.00 1.10 0.00 0.00 33.01 34.28 1jut s GLN 33 CO -0.10 -0.10 0.10 0.00 -0.55 0.00 0.00 175.29 174.64 1jut s MET 34 N 0.70 0.62 0.09 1.67 0.23 -0.24 -5.00 119.30 117.37 1jut s MET 34 Ca -0.03 -0.79 0.09 0.00 -1.03 0.00 0.00 55.69 53.93 1jut s MET 34 Cb -0.05 0.24 -0.03 0.00 -1.53 0.00 0.00 34.83 33.46 1jut s MET 34 CO -0.05 -0.16 -0.23 0.50 -2.03 0.00 0.00 175.02 173.05 1jut s ARG 35 N -2.78 1.37 -0.16 3.16 3.52 -1.26 -0.77 118.95 122.03 1jut s ARG 35 Ca -0.04 -1.14 -0.01 0.00 -0.13 0.00 0.00 55.73 54.41 1jut s ARG 35 Cb -0.00 -1.64 0.04 0.00 -1.56 0.00 0.00 34.95 31.79 1jut s ARG 35 CO -0.05 0.40 -0.02 -0.06 -0.81 0.00 0.00 175.30 174.76 1jut s PHE 36 N -0.99 1.33 -0.64 5.12 0.40 -0.31 -4.97 117.98 117.92 1jut s PHE 36 Ca 0.09 -0.86 -0.28 0.00 -0.60 0.00 0.00 56.93 55.29 1jut s PHE 36 Cb -0.10 -1.14 0.03 0.00 0.51 0.00 0.00 43.02 42.32 1jut s PHE 36 CO 0.04 -0.56 1.26 1.21 0.70 0.00 0.00 175.22 177.86 1jut s ASN 37 N 1.76 6.29 0.66 1.36 3.84 -1.26 -0.90 114.94 126.69 1jut s ASN 37 Ca 0.01 -0.08 0.35 0.00 0.21 0.00 0.00 52.86 53.35 1jut s ASN 37 Cb -0.15 -2.56 1.93 0.00 -0.55 0.00 0.00 41.25 39.92 1jut s ASN 37 CO -0.07 -1.65 2.10 -0.07 -2.79 0.00 0.00 177.10 174.61 1jut h LEU 38 N 12.52 0.00 -1.24 3.21 3.38 -1.59 0.89 115.31 132.49 1jut h LEU 38 Ca -0.26 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1jut h LEU 38 Cb 1.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 1jut h LEU 38 CO 1.22 0.00 -0.06 1.56 0.09 0.00 0.00 178.44 181.25 1jut h GLN 39 N 0.00 0.00 0.00 1.13 1.08 -1.79 -2.17 115.11 113.35 1jut h GLN 39 Ca 0.01 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.14 1jut h GLN 39 Cb 0.42 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 1jut h GLN 39 CO -0.00 0.06 -0.32 -0.44 -0.95 0.00 0.00 178.83 177.19 1jut h ASP 40 N 0.00 0.00 -2.65 1.46 3.32 -1.20 -3.48 116.42 113.86 1jut h ASP 40 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jut h ASP 40 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 1jut h ASP 40 CO 0.01 0.32 0.00 0.61 -1.72 0.00 0.00 179.24 178.45 1jut n GLY 41 N 0.13 2.58 3.66 2.75 0.00 -0.82 -4.86 105.19 108.62 1jut n GLY 41 Ca -0.00 -1.54 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 1jut n GLY 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jut s PHE 42 N -1.93 2.92 -0.73 1.61 5.36 0.04 -4.57 117.98 120.68 1jut s PHE 42 Ca 0.00 1.07 -0.06 0.00 -0.96 0.00 0.00 56.93 56.98 1jut s PHE 42 Cb 0.00 -3.47 -0.05 0.00 -0.34 0.00 0.00 43.02 39.15 1jut s PHE 42 CO 0.00 -1.52 1.89 -0.35 -1.46 0.00 0.00 175.22 173.77 1jut n PRO 43 N 6.58 1.64 -3.75 10.12 -0.04 -1.26 -3.87 135.00 144.43 1jut n PRO 43 Ca 0.14 -1.29 -0.36 0.00 -0.04 0.00 0.00 63.50 61.94 1jut n PRO 43 Cb 0.45 -2.39 -0.11 0.00 -0.04 0.00 0.00 33.50 31.41 1jut n PRO 43 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1jut s LEU 44 N 0.14 3.83 0.05 1.53 2.96 -1.26 -4.16 118.68 121.76 1jut s LEU 44 Ca 0.33 -0.02 -0.37 0.00 -0.22 0.00 0.00 54.13 53.86 1jut s LEU 44 Cb 0.09 -2.03 -0.16 0.00 0.50 0.00 0.00 46.19 44.59 1jut s LEU 44 CO -0.01 0.03 1.45 0.52 -1.32 0.00 0.00 176.35 177.01 1jut n VAL 45 N 4.52 0.06 0.53 1.68 0.31 -1.26 -4.77 118.33 119.39 1jut n VAL 45 Ca -0.15 -0.01 0.07 0.00 -0.01 0.00 0.00 64.34 64.23 1jut n VAL 45 Cb 0.52 -1.03 -0.09 0.00 -0.91 0.00 0.00 33.84 32.33 1jut n VAL 45 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1jut n THR 46 N 3.02 0.00 1.66 2.52 -2.24 -1.26 -4.42 114.28 113.55 1jut n THR 46 Ca 0.19 -0.20 0.13 0.00 -2.27 0.00 0.00 64.05 61.90 1jut n THR 46 Cb 0.20 0.83 0.78 0.00 -2.10 0.00 0.00 70.33 70.04 1jut n THR 46 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1jut n THR 47 N -1.47 0.00 -3.50 4.28 -2.24 -1.26 0.27 114.28 110.35 1jut n THR 47 Ca 0.02 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.64 1jut n THR 47 Cb 0.25 -0.58 -0.05 0.00 -2.10 0.00 0.00 70.33 67.85 1jut n THR 47 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1jut s LYS 48 N -2.00 1.04 -0.02 -0.78 -2.85 -1.26 -4.53 119.74 109.34 1jut s LYS 48 Ca 0.39 0.06 -0.30 0.00 -1.00 0.00 0.00 55.97 55.12 1jut s LYS 48 Cb 0.18 0.49 -0.03 0.00 -2.06 0.00 0.00 37.83 36.41 1jut s LYS 48 CO 0.30 -0.37 0.98 0.50 0.10 0.00 0.00 175.35 176.87 1jut s ARG 49 N -1.83 4.53 0.07 1.78 3.52 -0.92 -4.53 118.95 121.56 1jut s ARG 49 Ca -0.07 1.41 0.06 0.00 -0.13 0.00 0.00 55.73 57.00 1jut s ARG 49 Cb -0.00 -3.48 -0.04 0.00 -1.56 0.00 0.00 34.95 29.87 1jut s ARG 49 CO 0.03 -0.10 -0.09 0.00 -0.81 0.00 0.00 175.30 174.33 1jut s HIS 51 N -1.13 2.69 0.19 0.00 2.46 -1.26 -4.85 115.29 113.40 1jut s HIS 51 Ca 0.20 -1.13 -0.11 0.00 0.47 0.00 0.00 55.06 54.48 1jut s HIS 51 Cb -0.11 -4.65 0.21 0.00 -0.13 0.00 0.00 32.58 27.90 1jut s HIS 51 CO 0.11 -1.84 1.76 1.25 -2.47 0.00 0.00 174.74 173.55 1jut h LEU 52 N 12.35 0.25 -0.79 8.88 6.46 -2.00 -2.45 115.31 138.02 1jut h LEU 52 Ca 0.26 0.06 0.19 0.00 -0.12 0.00 0.00 57.88 58.26 1jut h LEU 52 Cb 0.97 0.03 -0.13 0.00 -0.73 0.00 0.00 40.66 40.80 1jut h LEU 52 CO 1.39 0.16 0.06 -0.09 -0.62 0.00 0.00 178.44 179.34 1jut h ARG 53 N 0.42 0.12 -0.34 1.25 1.12 -2.00 0.64 114.38 115.59 1jut h ARG 53 Ca 0.27 -0.01 -0.14 0.00 -1.11 0.00 0.00 59.98 58.99 1jut h ARG 53 Cb 0.28 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.20 1jut h ARG 53 CO -0.25 0.08 -0.35 0.77 -3.11 0.00 0.00 179.97 177.11 1jut h SER 54 N 0.13 0.82 0.15 -3.80 0.02 -1.84 -2.36 113.55 106.67 1jut h SER 54 Ca 0.45 -0.36 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1jut h SER 54 Cb 0.82 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1jut h SER 54 CO -0.67 1.09 -0.07 0.40 -1.14 0.00 0.00 176.83 176.45 1jut h ILE 55 N 0.65 0.90 0.01 3.27 2.04 -0.70 -1.66 117.51 122.02 1jut h ILE 55 Ca 0.06 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.74 1jut h ILE 55 Cb 0.90 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 1jut h ILE 55 CO 0.08 0.05 -0.09 0.40 0.00 0.00 0.00 178.15 178.59 1jut h ILE 56 N -0.29 0.78 -0.86 -0.67 2.04 -1.10 -2.41 117.51 115.00 1jut h ILE 56 Ca -0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.89 1jut h ILE 56 Cb 0.23 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 1jut h ILE 56 CO 0.03 0.00 0.56 0.45 0.00 0.00 0.00 178.15 179.20 1jut h HIS 57 N -0.15 1.00 -0.39 1.37 3.86 -1.35 -0.77 115.15 118.72 1jut h HIS 57 Ca 0.03 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1jut h HIS 57 Cb 0.19 -0.33 -0.02 0.00 1.06 0.00 0.00 27.41 28.31 1jut h HIS 57 CO -0.15 0.54 0.20 1.49 0.86 0.00 0.00 177.93 180.88 1jut h GLU 58 N 1.00 0.55 -0.61 2.45 4.81 -0.95 -0.73 114.58 121.10 1jut h GLU 58 Ca 0.36 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.48 1jut h GLU 58 Cb 0.15 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 1jut h GLU 58 CO -0.12 0.46 0.23 1.25 -0.73 0.00 0.00 179.01 180.10 1jut h LEU 59 N 0.49 0.85 -0.94 1.64 5.85 -0.87 0.01 115.31 122.34 1jut h LEU 59 Ca 0.13 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1jut h LEU 59 Cb 0.08 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 1jut h LEU 59 CO -0.02 0.80 0.56 -0.07 -0.34 0.00 0.00 178.44 179.37 1jut h LEU 60 N 0.85 1.14 -0.28 2.25 4.07 -0.91 -1.27 115.31 121.16 1jut h LEU 60 Ca 0.20 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.09 1jut h LEU 60 Cb 0.22 -0.29 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 1jut h LEU 60 CO -0.01 0.88 0.18 -0.25 -1.08 0.00 0.00 178.44 178.16 1jut h TRP 61 N 1.30 0.35 0.22 1.13 7.01 -0.35 -1.96 115.95 123.65 1jut h TRP 61 Ca 0.34 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.35 1jut h TRP 61 Cb -0.05 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 26.88 1jut h TRP 61 CO 0.01 0.23 -0.20 0.74 -2.79 0.00 0.00 178.44 176.42 1jut h PHE 62 N 0.38 -0.53 -0.03 2.65 0.04 -0.47 -2.52 116.94 116.46 1jut h PHE 62 Ca 0.10 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.88 1jut h PHE 62 Cb -0.04 0.20 -0.00 0.00 2.20 0.00 0.00 35.95 38.31 1jut h PHE 62 CO -0.06 -0.30 0.08 -0.07 -0.60 0.00 0.00 178.31 177.36 1jut h LEU 63 N -0.45 0.00 0.00 1.54 3.38 -1.01 0.40 115.31 119.18 1jut h LEU 63 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jut h LEU 63 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1jut h LEU 63 CO -0.04 0.00 -0.15 0.00 0.09 0.00 0.00 178.44 178.34 1jut n GLN 64 N -3.37 0.05 -0.93 1.13 1.13 -0.76 -4.90 117.38 109.73 1jut n GLN 64 Ca -0.02 0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 1jut n GLN 64 Cb 0.16 -1.55 0.00 0.00 0.11 0.00 0.00 30.24 28.96 1jut n GLN 64 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jut n GLY 65 N 1.47 0.43 3.83 1.08 0.00 0.14 -5.04 105.19 107.10 1jut n GLY 65 Ca 0.06 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 1jut n GLY 65 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jut s ASP 66 N -2.87 6.89 0.00 1.61 -1.08 -1.00 -3.78 116.67 116.44 1jut s ASP 66 Ca 0.00 1.43 0.00 0.00 -0.52 0.00 0.00 52.55 53.46 1jut s ASP 66 Cb 0.00 -2.43 0.00 0.00 -1.46 0.00 0.00 42.92 39.03 1jut s ASP 66 CO 0.00 -0.19 0.38 0.35 0.52 0.00 0.00 175.17 176.23 1jut n THR 67 N -0.18 0.11 -4.37 1.71 -2.24 -1.26 -4.23 114.28 103.81 1jut n THR 67 Ca 0.03 -0.15 -0.34 0.00 -2.27 0.00 0.00 64.05 61.32 1jut n THR 67 Cb 0.53 1.30 -0.10 0.00 -2.10 0.00 0.00 70.33 69.96 1jut n THR 67 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1jut s ASN 68 N -0.11 5.09 0.00 3.42 3.84 -1.26 -1.96 114.94 123.96 1jut s ASN 68 Ca 0.00 0.04 0.21 0.00 0.21 0.00 0.00 52.86 53.32 1jut s ASN 68 Cb 0.00 -1.58 1.15 0.00 -0.55 0.00 0.00 41.25 40.28 1jut s ASN 68 CO 0.00 0.30 1.65 2.30 -2.79 0.00 0.00 177.10 178.56 1jut n ILE 69 N 2.69 0.19 -0.20 -5.21 -5.35 -0.01 -3.98 119.36 107.49 1jut n ILE 69 Ca -0.18 0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 1jut n ILE 69 Cb 0.53 -0.71 0.09 0.00 -1.74 0.00 0.00 39.64 37.81 1jut n ILE 69 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jut h ALA 70 N 3.15 0.60 -0.52 -1.28 0.00 -1.92 -0.22 119.26 119.06 1jut h ALA 70 Ca 0.00 0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.16 1jut h ALA 70 Cb 0.09 0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1jut h ALA 70 CO 0.00 -0.38 0.19 -0.92 0.00 0.00 0.00 179.25 178.14 1jut h TYR 71 N 0.13 0.34 -0.54 0.00 3.20 -2.00 0.72 116.97 118.82 1jut h TYR 71 Ca 0.31 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.17 1jut h TYR 71 Cb 0.49 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 1jut h TYR 71 CO -0.34 0.11 0.21 -0.07 -1.64 0.00 0.00 178.16 176.42 1jut h LEU 72 N 0.37 0.72 -0.31 2.82 3.38 -1.44 -2.57 115.31 118.29 1jut h LEU 72 Ca 0.25 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 1jut h LEU 72 Cb 0.27 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1jut h LEU 72 CO -0.25 0.66 -0.10 0.45 0.09 0.00 0.00 178.44 179.29 1jut h HIS 73 N 0.78 0.70 -0.96 1.13 3.86 0.40 0.19 115.15 121.24 1jut h HIS 73 Ca 0.19 -0.16 0.22 0.00 -1.16 0.00 0.00 60.37 59.46 1jut h HIS 73 Cb 0.17 -0.17 -0.08 0.00 1.06 0.00 0.00 27.41 28.40 1jut h HIS 73 CO 0.01 0.81 0.63 0.93 0.86 0.00 0.00 177.93 181.17 1jut h GLU 74 N 0.38 0.42 -0.84 2.45 5.08 -0.54 -0.48 114.58 121.06 1jut h GLU 74 Ca 0.08 -0.03 -0.50 0.00 -1.00 0.00 0.00 59.36 57.91 1jut h GLU 74 Cb 0.60 -0.09 -0.27 0.00 0.50 0.00 0.00 28.75 29.48 1jut h GLU 74 CO 0.04 0.28 0.42 0.09 -1.00 0.00 0.00 179.01 178.83 1jut n ASN 75 N -4.56 4.90 -4.22 1.42 3.02 -0.93 -4.96 115.26 109.92 1jut n ASN 75 Ca 0.22 -3.72 -0.36 0.00 -0.03 0.00 0.00 54.58 50.68 1jut n ASN 75 Cb 0.75 -0.79 -0.03 0.00 -0.61 0.00 0.00 39.78 39.11 1jut n ASN 75 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1jut n ASN 76 N -1.02 -3.35 -4.26 6.41 3.02 -0.19 -4.95 115.26 110.91 1jut n ASN 76 Ca 0.54 -1.01 -0.34 0.00 -0.03 0.00 0.00 54.58 53.74 1jut n ASN 76 Cb 1.14 -2.77 -0.15 0.00 -0.61 0.00 0.00 39.78 37.38 1jut n ASN 76 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1jut s VAL 77 N -3.28 2.79 -0.13 2.41 1.01 0.63 -4.99 120.40 118.84 1jut s VAL 77 Ca 0.74 -0.71 0.11 0.00 0.00 0.00 0.00 61.98 62.12 1jut s VAL 77 Cb -0.41 -2.20 0.19 0.00 0.00 0.00 0.00 36.38 33.96 1jut s VAL 77 CO 0.93 0.50 1.11 0.35 0.00 0.00 0.00 175.10 177.99 1jut n THR 78 N 4.29 1.51 0.20 3.92 -2.24 -1.26 -3.86 114.28 116.84 1jut n THR 78 Ca -0.19 -1.65 0.05 0.00 -2.27 0.00 0.00 64.05 59.98 1jut n THR 78 Cb 0.51 0.10 0.23 0.00 -2.10 0.00 0.00 70.33 69.07 1jut n THR 78 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1jut n ILE 79 N -0.88 1.46 -0.02 2.28 -5.35 -1.26 -2.34 119.36 113.25 1jut n ILE 79 Ca 0.10 0.44 0.02 0.00 -0.27 0.00 0.00 62.75 63.04 1jut n ILE 79 Cb 0.49 -1.37 0.05 0.00 -1.74 0.00 0.00 39.64 37.07 1jut n ILE 79 CO 0.00 0.00 0.00 0.79 -1.76 0.00 0.00 176.55 175.58 1jut n TRP 80 N -1.70 0.13 -0.18 4.28 7.02 -1.26 -4.77 117.44 120.96 1jut n TRP 80 Ca 0.01 -0.40 -0.03 0.00 -1.02 0.00 0.00 57.50 56.07 1jut n TRP 80 Cb 0.07 -0.03 0.07 0.00 -2.42 0.00 0.00 31.31 29.00 1jut n TRP 80 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1jut h ASP 81 N 0.73 0.31 -0.44 -0.99 5.19 -1.82 -3.01 116.42 116.38 1jut h ASP 81 Ca 0.00 0.05 0.13 0.00 -0.62 0.00 0.00 57.03 56.59 1jut h ASP 81 Cb 0.49 -0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.98 1jut h ASP 81 CO 0.00 0.21 0.39 -0.33 -3.12 0.00 0.00 179.24 176.39 1jut h GLU 82 N 0.46 0.00 -0.01 3.56 3.07 -1.86 -2.70 114.58 117.10 1jut h GLU 82 Ca 0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.11 1jut h GLU 82 Cb 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 1jut h GLU 82 CO -0.21 0.00 -0.14 0.91 -1.40 0.00 0.00 179.01 178.16 1jut n TRP 83 N -4.01 0.00 -2.79 4.33 8.01 -1.14 -5.00 117.44 116.85 1jut n TRP 83 Ca 0.08 0.00 -0.39 0.00 -1.31 0.00 0.00 57.50 55.88 1jut n TRP 83 Cb 0.58 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.82 1jut n TRP 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1jut s ALA 84 N -1.45 3.33 0.97 6.99 0.00 -1.02 -4.78 121.76 125.79 1jut s ALA 84 Ca 0.14 0.57 -0.16 0.00 0.00 0.00 0.00 51.96 52.51 1jut s ALA 84 Cb 0.12 -3.17 0.20 0.00 0.00 0.00 0.00 23.12 20.26 1jut s ALA 84 CO 0.26 0.21 1.32 0.16 0.00 0.00 0.00 175.76 177.72 1jut s ASP 85 N -1.27 3.08 0.61 0.00 1.47 -0.46 -4.79 116.67 115.31 1jut s ASP 85 Ca 0.42 0.28 0.25 0.00 1.18 0.00 0.00 52.55 54.69 1jut s ASP 85 Cb -0.24 -0.33 1.14 0.00 -0.34 0.00 0.00 42.92 43.15 1jut s ASP 85 CO 0.30 -2.76 1.58 -0.08 0.68 0.00 0.00 175.17 174.89 1jut h GLU 86 N -1.66 0.00 -0.03 2.11 4.81 -1.97 0.45 114.58 118.30 1jut h GLU 86 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1jut h GLU 86 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1jut h GLU 86 CO 0.38 0.00 -0.06 0.09 -0.73 0.00 0.00 179.01 178.69 1jut n ASN 87 N -3.31 2.73 0.00 1.04 5.03 -1.26 -4.95 115.26 114.54 1jut n ASN 87 Ca 0.12 -1.86 0.00 0.00 0.87 0.00 0.00 54.58 53.71 1jut n ASN 87 Cb 1.00 0.07 0.00 0.00 -1.02 0.00 0.00 39.78 39.83 1jut n ASN 87 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jut n GLY 88 N 1.27 0.75 3.82 7.41 0.00 0.16 -4.91 105.19 113.68 1jut n GLY 88 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1jut n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jut s ASP 89 N -2.56 6.99 0.00 1.61 1.01 -1.26 -0.83 116.67 121.62 1jut s ASP 89 Ca 0.00 1.24 0.09 0.00 0.71 0.00 0.00 52.55 54.59 1jut s ASP 89 Cb 0.00 -2.35 0.02 0.00 1.01 0.00 0.00 42.92 41.59 1jut s ASP 89 CO 0.00 0.16 0.65 0.18 0.21 0.00 0.00 175.17 176.37 1jut n LEU 90 N 1.17 1.30 0.00 1.23 4.77 -0.83 -1.35 117.00 123.29 1jut n LEU 90 Ca -0.07 -0.82 0.00 0.00 -0.03 0.00 0.00 56.01 55.09 1jut n LEU 90 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1jut n LEU 90 CO 0.42 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 1jut n GLY 91 N 0.78 -3.08 2.67 -0.72 0.00 -1.26 -0.40 105.19 103.17 1jut n GLY 91 Ca 0.04 -1.84 -0.27 0.00 0.00 0.00 0.00 46.02 43.95 1jut n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jut n PRO 92 N -0.34 2.15 -0.06 1.61 -0.04 -1.26 -4.82 135.00 132.24 1jut n PRO 92 Ca 0.00 -1.62 0.00 0.00 -0.04 0.00 0.00 63.50 61.84 1jut n PRO 92 Cb 0.00 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 30.88 1jut n PRO 92 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1jut n VAL 93 N 4.47 0.00 -0.03 0.52 0.24 -1.26 -4.47 118.33 117.80 1jut n VAL 93 Ca 0.48 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.78 1jut n VAL 93 Cb 0.19 -1.89 -0.01 0.00 -1.47 0.00 0.00 33.84 30.66 1jut n VAL 93 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1jut n TYR 94 N -1.01 -0.03 0.05 6.34 4.01 -1.26 -1.23 117.16 124.03 1jut n TYR 94 Ca 0.00 0.08 -0.12 0.00 -0.16 0.00 0.00 57.90 57.70 1jut n TYR 94 Cb 0.00 -0.32 -0.05 0.00 -0.31 0.00 0.00 39.34 38.66 1jut n TYR 94 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1jut h GLY 95 N 0.00 -0.55 0.95 2.72 0.00 -1.77 -0.58 103.07 103.84 1jut h GLY 95 Ca 0.01 0.41 0.07 0.00 0.00 0.00 0.00 47.33 47.81 1jut h GLY 95 CO -0.06 -0.23 0.53 1.70 0.00 0.00 0.00 176.54 178.47 1jut h LYS 96 N -0.47 0.85 0.00 4.80 1.63 -1.26 -1.06 116.57 121.05 1jut h LYS 96 Ca 0.07 -0.05 -0.20 0.00 -0.85 0.00 0.00 60.65 59.61 1jut h LYS 96 Cb 0.57 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 32.00 1jut h LYS 96 CO -0.29 0.56 -0.88 1.96 -3.45 0.00 0.00 179.45 177.34 1jut h GLN 97 N 0.87 0.24 -0.19 1.90 1.08 -1.14 0.19 115.11 118.05 1jut h GLN 97 Ca 0.35 -0.26 -0.05 0.00 -1.45 0.00 0.00 58.65 57.25 1jut h GLN 97 Cb 0.24 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.74 1jut h GLN 97 CO -0.12 0.98 -0.06 -1.49 -0.95 0.00 0.00 178.83 177.19 1jut h TRP 98 N 0.13 0.42 0.00 2.96 4.06 -0.47 -3.26 115.95 119.80 1jut h TRP 98 Ca -0.05 -0.10 -0.15 0.00 2.06 0.00 0.00 58.89 60.66 1jut h TRP 98 Cb 1.51 -0.10 -0.03 0.00 -1.00 0.00 0.00 29.16 29.54 1jut h TRP 98 CO 0.03 0.64 -1.62 0.54 -3.56 0.00 0.00 178.44 174.48 1jut n ARG 99 N -4.62 0.64 -2.94 0.49 5.12 -0.46 -0.67 116.66 114.22 1jut n ARG 99 Ca -0.05 0.10 -0.15 0.00 -1.93 0.00 0.00 57.85 55.82 1jut n ARG 99 Cb 0.29 -1.71 0.00 0.00 -1.16 0.00 0.00 32.46 29.87 1jut n ARG 99 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jut n ALA 100 N -2.40 0.22 -2.26 7.54 0.00 0.65 -3.57 120.51 120.69 1jut n ALA 100 Ca -0.11 -2.25 -0.43 0.00 0.00 0.00 0.00 53.44 50.66 1jut n ALA 100 Cb 0.81 -1.11 -0.02 0.00 0.00 0.00 0.00 19.45 19.12 1jut n ALA 100 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1jut s TRP 101 N -0.13 2.48 0.01 0.00 -0.11 -0.75 -4.62 118.94 115.84 1jut s TRP 101 Ca 0.33 0.70 -0.30 0.00 1.22 0.00 0.00 56.10 58.05 1jut s TRP 101 Cb 0.21 -3.73 -0.04 0.00 -1.50 0.00 0.00 33.47 28.42 1jut s TRP 101 CO -0.19 -2.48 1.03 -1.25 -4.62 0.00 0.00 176.95 169.45 1jut s PRO 102 N 3.88 4.53 0.48 5.86 0.04 -1.26 -0.69 135.00 147.84 1jut s PRO 102 Ca 0.62 1.51 -0.02 0.00 0.04 0.00 0.00 61.00 63.15 1jut s PRO 102 Cb -0.25 -3.43 -0.01 0.00 0.04 0.00 0.00 34.50 30.85 1jut s PRO 102 CO 0.22 -0.10 0.74 0.95 0.04 0.00 0.00 177.00 178.84 1jut s THR 103 N 1.03 4.12 -1.17 1.26 -4.23 -0.34 -4.99 115.64 111.32 1jut s THR 103 Ca 0.54 -0.27 0.20 0.00 -1.18 0.00 0.00 61.69 60.97 1jut s THR 103 Cb -0.23 -3.55 0.24 0.00 1.34 0.00 0.00 72.50 70.30 1jut s THR 103 CO 0.28 -0.45 1.64 -0.81 -0.54 0.00 0.00 174.62 174.74 1jut n PRO 104 N -2.21 0.11 -0.78 3.99 -0.04 -1.26 -3.17 135.00 131.64 1jut n PRO 104 Ca 0.02 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1jut n PRO 104 Cb 0.57 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.81 1jut n PRO 104 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1jut n ASP 105 N -1.42 4.21 0.00 3.54 5.68 -1.26 -4.95 116.55 122.35 1jut n ASP 105 Ca 0.07 -3.22 0.00 0.00 -0.50 0.00 0.00 54.79 51.14 1jut n ASP 105 Cb 0.21 -0.65 0.00 0.00 -1.14 0.00 0.00 41.12 39.53 1jut n ASP 105 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jut n GLY 106 N -0.38 0.75 4.01 6.12 0.00 -1.19 -5.07 105.19 109.44 1jut n GLY 106 Ca 0.32 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.15 1jut n GLY 106 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jut s ARG 107 N -0.48 2.57 -0.01 1.61 6.06 -1.26 -4.93 118.95 122.52 1jut s ARG 107 Ca 0.00 -1.28 0.02 0.00 -2.50 0.00 0.00 55.73 51.97 1jut s ARG 107 Cb 0.00 -2.66 -0.00 0.00 0.06 0.00 0.00 34.95 32.34 1jut s ARG 107 CO 0.00 -0.57 -0.06 -1.01 -2.50 0.00 0.00 175.30 171.16 1jut s HIS 108 N -2.54 0.59 -0.18 5.12 3.76 -1.26 -1.20 115.29 119.57 1jut s HIS 108 Ca 0.58 -0.11 -0.05 0.00 -0.15 0.00 0.00 55.06 55.33 1jut s HIS 108 Cb -0.09 -0.38 -0.03 0.00 1.11 0.00 0.00 32.58 33.20 1jut s HIS 108 CO 0.36 -0.01 -0.01 0.42 -0.85 0.00 0.00 174.74 174.65 1jut s ILE 109 N -0.14 3.95 -0.72 0.60 -1.09 0.13 -4.84 121.20 119.09 1jut s ILE 109 Ca 0.02 -0.32 -0.20 0.00 -2.23 0.00 0.00 60.65 57.92 1jut s ILE 109 Cb -0.03 -2.77 0.11 0.00 -1.58 0.00 0.00 42.46 38.19 1jut s ILE 109 CO -0.00 0.45 0.91 -0.62 -1.23 0.00 0.00 174.94 174.45 1jut s ASP 110 N 0.75 6.33 0.47 3.58 -1.08 -1.23 -1.80 116.67 123.68 1jut s ASP 110 Ca -0.00 -1.52 0.25 0.00 -0.52 0.00 0.00 52.55 50.75 1jut s ASP 110 Cb -0.14 -2.36 1.12 0.00 -1.46 0.00 0.00 42.92 40.07 1jut s ASP 110 CO 0.02 -1.18 1.92 1.56 0.52 0.00 0.00 175.17 178.01 1jut h GLN 111 N 9.14 0.00 0.02 4.34 4.20 -1.12 -2.22 115.11 129.46 1jut h GLN 111 Ca -0.15 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.56 1jut h GLN 111 Cb 1.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.84 1jut h GLN 111 CO 1.11 0.20 -0.01 0.82 -0.67 0.00 0.00 178.83 180.28 1jut h ILE 112 N 0.00 1.40 -0.46 2.54 1.08 -1.87 -1.95 117.51 118.25 1jut h ILE 112 Ca -0.00 -1.30 -0.05 0.00 -0.39 0.00 0.00 64.86 63.11 1jut h ILE 112 Cb 0.59 2.27 -0.02 0.00 -3.07 0.00 0.00 36.82 36.59 1jut h ILE 112 CO 0.03 0.33 0.06 0.74 -0.69 0.00 0.00 178.15 178.61 1jut h THR 113 N -0.59 1.22 -0.36 -0.27 2.02 -1.88 -1.06 112.91 111.99 1jut h THR 113 Ca -0.00 -0.84 0.04 0.00 0.77 0.00 0.00 66.41 66.37 1jut h THR 113 Cb 0.56 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.75 1jut h THR 113 CO 0.00 0.30 0.15 0.74 0.37 0.00 0.00 175.52 177.09 1jut h THR 114 N 0.68 0.93 -0.54 3.16 2.02 -1.37 0.73 112.91 118.53 1jut h THR 114 Ca 0.15 -0.11 -0.04 0.00 0.77 0.00 0.00 66.41 67.18 1jut h THR 114 Cb 0.34 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 1jut h THR 114 CO 0.01 0.06 0.20 0.58 0.37 0.00 0.00 175.52 176.73 1jut h VAL 115 N 0.32 1.23 -0.25 3.16 2.07 -0.87 -1.03 116.25 120.88 1jut h VAL 115 Ca 0.16 -0.73 0.03 0.00 0.82 0.00 0.00 66.70 66.98 1jut h VAL 115 Cb 0.11 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1jut h VAL 115 CO -0.14 0.28 0.06 -0.07 0.02 0.00 0.00 177.57 177.72 1jut h LEU 116 N 0.74 0.05 -1.48 2.57 3.38 -0.47 -0.33 115.31 119.77 1jut h LEU 116 Ca 0.18 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 1jut h LEU 116 Cb 0.23 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1jut h LEU 116 CO -0.01 0.06 -0.20 0.78 0.09 0.00 0.00 178.44 179.16 1jut h ASN 117 N 0.17 0.08 -0.18 -0.43 -0.26 -0.64 -1.95 115.58 112.37 1jut h ASN 117 Ca 0.11 -0.02 -0.19 0.00 -0.56 0.00 0.00 56.30 55.65 1jut h ASN 117 Cb 0.10 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.34 1jut h ASN 117 CO -0.13 0.29 -0.59 1.56 -1.06 0.00 0.00 177.43 177.50 1jut h GLN 118 N 0.08 0.78 -0.06 0.81 4.20 -0.32 -0.20 115.11 120.41 1jut h GLN 118 Ca 0.01 -0.52 -0.10 0.00 0.06 0.00 0.00 58.65 58.10 1jut h GLN 118 Cb 0.40 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1jut h GLN 118 CO 0.03 1.14 -0.43 -0.07 -0.67 0.00 0.00 178.83 178.83 1jut h LEU 119 N 0.59 0.14 0.15 1.46 3.38 -0.65 0.24 115.31 120.63 1jut h LEU 119 Ca 0.00 -0.06 -0.21 0.00 0.09 0.00 0.00 57.88 57.70 1jut h LEU 119 Cb 1.18 -0.04 0.02 0.00 0.09 0.00 0.00 40.66 41.91 1jut h LEU 119 CO 0.12 0.56 -0.93 0.11 0.09 0.00 0.00 178.44 178.40 1jut h LYS 120 N 0.11 0.32 0.00 1.13 1.57 -1.30 -3.32 116.57 115.08 1jut h LYS 120 Ca 0.01 -0.54 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 1jut h LYS 120 Cb 0.82 0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.33 1jut h LYS 120 CO 0.06 1.26 -1.33 0.09 -0.57 0.00 0.00 179.45 178.96 1jut n ASN 121 N -4.07 0.57 -2.72 0.86 4.13 -0.09 -4.71 115.26 109.23 1jut n ASN 121 Ca -0.15 -0.46 -0.08 0.00 1.68 0.00 0.00 54.58 55.56 1jut n ASN 121 Cb 0.86 1.27 0.10 0.00 -1.54 0.00 0.00 39.78 40.47 1jut n ASN 121 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1jut n ASP 122 N -1.87 -2.03 0.27 6.41 2.03 0.74 -5.00 116.55 117.10 1jut n ASP 122 Ca 0.01 -3.01 0.17 0.00 0.52 0.00 0.00 54.79 52.48 1jut n ASP 122 Cb 0.44 1.38 0.80 0.00 -0.72 0.00 0.00 41.12 43.01 1jut n ASP 122 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1jut h PRO 123 N 2.46 0.00 -0.27 -0.67 0.13 -1.33 -0.79 132.00 131.51 1jut h PRO 123 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 1jut h PRO 123 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1jut h PRO 123 CO 0.03 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.55 1jut n ASP 124 N -3.14 1.55 -4.77 1.44 9.92 -1.26 -4.06 116.55 116.23 1jut n ASP 124 Ca 0.01 -1.96 -0.37 0.00 -0.53 0.00 0.00 54.79 51.94 1jut n ASP 124 Cb 0.44 -0.18 -0.00 0.00 -0.64 0.00 0.00 41.12 40.74 1jut n ASP 124 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1jut s SER 125 N -1.07 6.00 -0.01 -2.24 0.15 -0.31 -4.92 113.70 111.29 1jut s SER 125 Ca 0.21 2.33 0.21 0.00 0.70 0.00 0.00 55.95 59.41 1jut s SER 125 Cb 0.11 -2.60 0.64 0.00 -1.71 0.00 0.00 66.02 62.45 1jut s SER 125 CO 0.15 -1.04 1.53 0.54 1.20 0.00 0.00 173.24 175.62 1jut n ARG 126 N -0.68 2.86 -0.42 5.44 1.74 -1.26 -4.30 116.66 120.04 1jut n ARG 126 Ca 0.08 -2.66 0.06 0.00 -0.77 0.00 0.00 57.85 54.57 1jut n ARG 126 Cb 0.48 -1.59 0.21 0.00 -1.02 0.00 0.00 32.46 30.55 1jut n ARG 126 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1jut n ARG 127 N 1.51 2.20 -2.65 5.56 1.74 -1.26 -4.92 116.66 118.84 1jut n ARG 127 Ca 0.24 -2.86 -0.42 0.00 -0.77 0.00 0.00 57.85 54.03 1jut n ARG 127 Cb 0.64 -1.74 -0.02 0.00 -1.02 0.00 0.00 32.46 30.32 1jut n ARG 127 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1jut s ILE 128 N -2.95 4.16 -0.01 0.55 1.01 -1.26 -4.93 121.20 117.78 1jut s ILE 128 Ca 0.40 -1.22 0.02 0.00 0.00 0.00 0.00 60.65 59.85 1jut s ILE 128 Cb 0.34 -5.03 -0.01 0.00 0.01 0.00 0.00 42.46 37.78 1jut s ILE 128 CO 0.05 -1.86 -0.07 -0.63 0.00 0.00 0.00 174.94 172.42 1jut s ILE 129 N 4.24 0.59 -0.14 2.92 1.01 -1.26 -1.37 121.20 127.19 1jut s ILE 129 Ca 0.45 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.79 1jut s ILE 129 Cb -0.00 -0.50 0.00 0.00 0.01 0.00 0.00 42.46 41.97 1jut s ILE 129 CO -0.06 0.16 -0.19 -0.69 0.00 0.00 0.00 174.94 174.16 1jut s VAL 130 N -0.19 2.42 -0.04 2.92 1.01 -0.53 -4.94 120.40 121.06 1jut s VAL 130 Ca 0.03 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.19 1jut s VAL 130 Cb -0.03 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 1jut s VAL 130 CO -0.00 0.53 -0.21 -0.55 0.00 0.00 0.00 175.10 174.88 1jut s SER 131 N 0.65 2.53 -0.02 3.32 0.15 -1.26 -1.75 113.70 117.32 1jut s SER 131 Ca -0.09 -0.41 0.19 0.00 0.70 0.00 0.00 55.95 56.34 1jut s SER 131 Cb -0.16 -0.60 -0.29 0.00 -1.71 0.00 0.00 66.02 63.26 1jut s SER 131 CO 0.02 0.21 0.48 0.00 1.20 0.00 0.00 173.24 175.15 1jut n ALA 132 N 2.94 2.98 -1.86 5.45 0.00 -0.37 -4.66 120.51 125.00 1jut n ALA 132 Ca -0.17 -0.47 -0.40 0.00 0.00 0.00 0.00 53.44 52.40 1jut n ALA 132 Cb 0.53 -0.67 -0.03 0.00 0.00 0.00 0.00 19.45 19.28 1jut n ALA 132 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1jut n TRP 133 N -2.06 3.18 -2.99 0.00 -0.00 -1.18 -4.86 117.44 109.52 1jut n TRP 133 Ca -0.02 -2.28 -0.44 0.00 -0.00 0.00 0.00 57.50 54.75 1jut n TRP 133 Cb 0.47 -2.36 -0.03 0.00 -0.00 0.00 0.00 31.31 29.40 1jut n TRP 133 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1jut s ASN 134 N 4.68 6.62 0.59 5.87 3.04 -1.26 -4.89 114.94 129.59 1jut s ASN 134 Ca 0.56 -2.09 0.29 0.00 0.04 0.00 0.00 52.86 51.66 1jut s ASN 134 Cb 0.08 -2.37 1.43 0.00 -1.54 0.00 0.00 41.25 38.86 1jut s ASN 134 CO 0.06 -1.00 1.84 -0.37 -3.04 0.00 0.00 177.10 174.59 1jut h VAL 135 N 5.67 0.32 0.00 -5.21 -1.51 -2.01 0.15 116.25 113.66 1jut h VAL 135 Ca 0.12 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.59 1jut h VAL 135 Cb 1.03 0.55 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 1jut h VAL 135 CO 1.05 0.00 0.00 1.23 -1.23 0.00 0.00 177.57 178.62 1jut h GLY 136 N 0.00 0.00 -0.11 5.19 0.00 -2.00 -3.28 103.07 102.87 1jut h GLY 136 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1jut h GLY 136 CO -0.00 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.72 1jut n GLU 137 N -2.63 2.94 -0.32 4.80 1.02 0.49 -4.72 120.64 122.22 1jut n GLU 137 Ca 0.04 -1.58 0.02 0.00 -0.02 0.00 0.00 57.16 55.62 1jut n GLU 137 Cb 0.44 -1.04 0.16 0.00 -0.02 0.00 0.00 31.44 30.98 1jut n GLU 137 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1jut h LEU 138 N 0.17 0.84 0.00 -4.62 5.85 -1.51 -2.20 115.31 113.84 1jut h LEU 138 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1jut h LEU 138 Cb 0.54 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1jut h LEU 138 CO 0.00 0.52 0.00 0.47 -0.34 0.00 0.00 178.44 179.09 1jut n ASP 139 N -4.63 0.00 -0.75 1.25 9.92 -1.26 -2.20 116.55 118.88 1jut n ASP 139 Ca 0.14 0.14 0.12 0.00 -0.53 0.00 0.00 54.79 54.66 1jut n ASP 139 Cb 0.21 -0.35 0.11 0.00 -0.64 0.00 0.00 41.12 40.46 1jut n ASP 139 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1jut n LYS 140 N -1.35 1.87 -3.46 -1.24 5.02 -0.83 -4.94 118.16 113.23 1jut n LYS 140 Ca 0.08 -1.51 -0.37 0.00 -2.02 0.00 0.00 58.31 54.49 1jut n LYS 140 Cb 0.19 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.67 1jut n LYS 140 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1jut s MET 141 N -2.17 3.93 0.20 1.97 -1.94 -0.93 -4.14 119.30 116.22 1jut s MET 141 Ca 0.26 0.42 -0.11 0.00 -1.71 0.00 0.00 55.69 54.55 1jut s MET 141 Cb 0.19 -3.13 0.13 0.00 2.01 0.00 0.00 34.83 34.03 1jut s MET 141 CO 0.39 0.63 1.85 0.00 -0.01 0.00 0.00 175.02 177.88 1jut h ALA 142 N 4.30 0.89 -3.52 3.03 0.00 -1.05 -3.42 119.26 119.49 1jut h ALA 142 Ca -0.50 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.13 1jut h ALA 142 Cb 1.21 -0.28 -0.28 0.00 0.00 0.00 0.00 17.79 18.44 1jut h ALA 142 CO 0.63 0.34 -0.63 -1.17 0.00 0.00 0.00 179.25 178.42 1jut s LEU 143 N -10.08 1.62 0.43 0.00 2.96 -1.26 -5.07 118.68 107.27 1jut s LEU 143 Ca -0.13 0.17 -0.24 0.00 -0.22 0.00 0.00 54.13 53.71 1jut s LEU 143 Cb 0.14 0.27 -0.08 0.00 0.50 0.00 0.00 46.19 47.02 1jut s LEU 143 CO 0.78 -0.04 1.14 0.00 -1.32 0.00 0.00 176.35 176.91 1jut s ALA 144 N 0.14 3.06 0.12 5.97 0.00 -1.26 -4.92 121.76 124.86 1jut s ALA 144 Ca -0.01 0.90 -0.36 0.00 0.00 0.00 0.00 51.96 52.50 1jut s ALA 144 Cb -0.02 -3.36 -0.16 0.00 0.00 0.00 0.00 23.12 19.59 1jut s ALA 144 CO -0.00 -0.53 1.44 -2.30 0.00 0.00 0.00 175.76 174.37 1jut n PRO 145 N -0.21 1.55 -0.09 0.00 -0.02 -1.26 -4.91 135.00 130.07 1jut n PRO 145 Ca 0.06 0.56 -0.12 0.00 -2.02 0.00 0.00 63.50 61.97 1jut n PRO 145 Cb 0.48 -2.25 -0.06 0.00 -0.02 0.00 0.00 33.50 31.65 1jut n PRO 145 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jut s HIS 147 N -2.31 2.80 -0.13 0.00 0.00 -1.26 -1.63 115.29 112.77 1jut s HIS 147 Ca -0.21 -0.76 0.22 0.00 -3.00 0.00 0.00 55.06 51.31 1jut s HIS 147 Cb 0.04 -4.24 -0.21 0.00 -4.00 0.00 0.00 32.58 24.17 1jut s HIS 147 CO 0.38 -1.56 0.69 0.00 -1.00 0.00 0.00 174.74 173.25 1jut n ALA 148 N 7.27 2.75 -3.66 -1.38 0.00 -1.06 -4.85 120.51 119.59 1jut n ALA 148 Ca -0.01 -0.42 -0.08 0.00 0.00 0.00 0.00 53.44 52.94 1jut n ALA 148 Cb 0.45 -0.88 -0.08 0.00 0.00 0.00 0.00 19.45 18.95 1jut n ALA 148 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1jut s PHE 149 N -3.45 -0.94 0.02 0.00 2.19 -1.16 -1.24 117.98 113.39 1jut s PHE 149 Ca -0.05 1.90 0.01 0.00 0.33 0.00 0.00 56.93 59.11 1jut s PHE 149 Cb 0.13 0.54 -0.02 0.00 -1.31 0.00 0.00 43.02 42.35 1jut s PHE 149 CO 0.87 -0.48 -0.04 -0.59 1.83 0.00 0.00 175.22 176.80 1jut s PHE 150 N 1.63 0.35 0.03 10.12 -0.71 -0.72 0.15 117.98 128.83 1jut s PHE 150 Ca -0.10 -0.49 0.06 0.00 -1.04 0.00 0.00 56.93 55.37 1jut s PHE 150 Cb -0.06 -0.23 -0.02 0.00 -1.21 0.00 0.00 43.02 41.49 1jut s PHE 150 CO -0.18 -0.15 -0.19 -1.14 -1.34 0.00 0.00 175.22 172.22 1jut s GLN 151 N -1.40 1.30 0.23 1.99 0.74 0.45 -1.45 119.66 121.52 1jut s GLN 151 Ca -0.14 -0.85 0.07 0.00 0.05 0.00 0.00 55.36 54.49 1jut s GLN 151 Cb -0.09 -1.36 -0.04 0.00 1.10 0.00 0.00 33.01 32.62 1jut s GLN 151 CO -0.01 0.35 0.18 -0.06 -0.55 0.00 0.00 175.29 175.21 1jut s PHE 152 N -0.75 3.12 -0.20 1.67 0.08 -0.47 -0.19 117.98 121.24 1jut s PHE 152 Ca 0.06 -0.09 -0.18 0.00 0.12 0.00 0.00 56.93 56.85 1jut s PHE 152 Cb -0.08 -1.43 0.05 0.00 -0.57 0.00 0.00 43.02 40.99 1jut s PHE 152 CO 0.01 0.52 0.52 -0.47 -0.10 0.00 0.00 175.22 175.71 1jut s TYR 153 N -2.03 -0.60 -0.09 0.36 6.14 -0.28 -4.67 117.35 116.18 1jut s TYR 153 Ca 0.32 1.43 0.04 0.00 0.64 0.00 0.00 57.07 59.50 1jut s TYR 153 Cb -0.08 0.22 0.00 0.00 0.42 0.00 0.00 41.96 42.51 1jut s TYR 153 CO 0.25 -0.29 -0.23 0.08 0.64 0.00 0.00 175.55 176.00 1jut s VAL 154 N 0.40 1.94 -0.14 3.14 1.01 -1.26 -0.01 120.40 125.48 1jut s VAL 154 Ca -0.01 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 1jut s VAL 154 Cb -0.04 -1.68 0.04 0.00 0.00 0.00 0.00 36.38 34.71 1jut s VAL 154 CO -0.01 0.53 0.36 0.00 0.00 0.00 0.00 175.10 175.98 1jut s ALA 155 N 0.31 -0.89 -1.50 5.51 0.00 -0.89 -4.84 121.76 119.46 1jut s ALA 155 Ca -0.16 1.18 -0.02 0.00 0.00 0.00 0.00 51.96 52.95 1jut s ALA 155 Cb -0.17 -0.71 0.02 0.00 0.00 0.00 0.00 23.12 22.26 1jut s ALA 155 CO 0.08 -0.20 0.29 -0.25 0.00 0.00 0.00 175.76 175.67 1jut n ASP 156 N 3.52 -0.09 -0.75 0.00 8.00 -1.26 -1.09 116.55 124.88 1jut n ASP 156 Ca -0.18 -1.12 -0.10 0.00 0.71 0.00 0.00 54.79 54.10 1jut n ASP 156 Cb 0.56 -2.41 -0.04 0.00 -0.02 0.00 0.00 41.12 39.21 1jut n ASP 156 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jut n GLY 157 N -2.14 1.06 3.28 0.44 0.00 -1.26 -4.99 105.19 101.57 1jut n GLY 157 Ca -0.27 -0.24 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 1jut n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jut s LYS 158 N -2.63 2.35 -0.29 1.61 1.02 -0.25 -0.59 119.74 120.96 1jut s LYS 158 Ca 0.00 -0.90 -0.13 0.00 0.02 0.00 0.00 55.97 54.96 1jut s LYS 158 Cb 0.00 -2.09 -0.04 0.00 -0.52 0.00 0.00 37.83 35.19 1jut s LYS 158 CO 0.00 0.44 0.30 -1.17 -0.92 0.00 0.00 175.35 174.00 1jut s LEU 159 N -0.32 4.12 0.34 3.17 2.96 0.34 -2.08 118.68 127.20 1jut s LEU 159 Ca 0.01 0.06 0.08 0.00 -0.22 0.00 0.00 54.13 54.07 1jut s LEU 159 Cb -0.12 -2.28 -0.05 0.00 0.50 0.00 0.00 46.19 44.24 1jut s LEU 159 CO 0.02 -0.16 0.10 -0.44 -1.32 0.00 0.00 176.35 174.55 1jut s SER 160 N 1.70 4.51 -0.14 3.68 0.01 0.98 -0.01 113.70 124.43 1jut s SER 160 Ca 0.11 -0.86 -0.13 0.00 1.31 0.00 0.00 55.95 56.38 1jut s SER 160 Cb -0.16 -0.65 0.04 0.00 0.21 0.00 0.00 66.02 65.46 1jut s SER 160 CO 0.11 -0.30 0.38 0.00 0.41 0.00 0.00 173.24 173.84 1jut s GLN 162 N 0.24 2.62 -0.05 0.00 0.74 0.74 0.54 119.66 124.49 1jut s GLN 162 Ca -0.00 -0.87 0.04 0.00 0.05 0.00 0.00 55.36 54.58 1jut s GLN 162 Cb -0.03 -2.15 -0.02 0.00 1.10 0.00 0.00 33.01 31.91 1jut s GLN 162 CO 0.00 0.31 -0.17 -1.17 -0.55 0.00 0.00 175.29 173.71 1jut s LEU 163 N -0.00 2.56 -0.31 3.68 2.96 0.35 -0.41 118.68 127.51 1jut s LEU 163 Ca -0.08 -0.28 -0.05 0.00 -0.22 0.00 0.00 54.13 53.51 1jut s LEU 163 Cb -0.15 -1.51 0.03 0.00 0.50 0.00 0.00 46.19 45.07 1jut s LEU 163 CO 0.05 0.32 0.05 -0.47 -1.32 0.00 0.00 176.35 174.99 1jut s TYR 164 N -0.60 3.21 -0.43 5.38 5.04 0.12 -0.87 117.35 129.20 1jut s TYR 164 Ca 0.09 -1.47 -0.13 0.00 -2.44 0.00 0.00 57.07 53.13 1jut s TYR 164 Cb -0.11 -2.20 0.06 0.00 0.35 0.00 0.00 41.96 40.06 1jut s TYR 164 CO 0.01 -0.72 0.31 -1.14 -1.34 0.00 0.00 175.55 172.67 1jut s GLN 165 N 1.37 2.83 0.52 4.97 0.74 0.05 -2.57 119.66 127.57 1jut s GLN 165 Ca -0.02 -1.30 0.26 0.00 0.05 0.00 0.00 55.36 54.35 1jut s GLN 165 Cb -0.19 -3.93 1.41 0.00 1.10 0.00 0.00 33.01 31.40 1jut s GLN 165 CO 0.01 -0.92 2.07 0.07 -0.55 0.00 0.00 175.29 175.97 1jut h ARG 166 N 8.57 0.00 -3.32 1.67 -0.00 -1.61 0.12 114.38 119.82 1jut h ARG 166 Ca -0.26 0.00 -0.25 0.00 -0.00 0.00 0.00 59.98 59.47 1jut h ARG 166 Cb 1.10 0.00 -0.32 0.00 -0.00 0.00 0.00 29.97 30.76 1jut h ARG 166 CO 0.79 0.12 -0.62 0.45 -0.00 0.00 0.00 179.97 180.71 1jut s SER 167 N -6.27 -0.08 -0.06 0.08 0.15 -1.25 -1.44 113.70 104.83 1jut s SER 167 Ca -0.03 0.25 -0.01 0.00 0.70 0.00 0.00 55.95 56.86 1jut s SER 167 Cb 0.14 0.15 0.03 0.00 -1.71 0.00 0.00 66.02 64.62 1jut s SER 167 CO 0.60 -0.13 0.01 0.00 1.20 0.00 0.00 173.24 174.91 1jut s ASP 169 N 1.84 6.22 0.25 0.00 -1.08 -1.26 -0.62 116.67 122.02 1jut s ASP 169 Ca 0.03 -1.14 -0.04 0.00 -0.52 0.00 0.00 52.55 50.88 1jut s ASP 169 Cb -0.12 -2.41 0.38 0.00 -1.46 0.00 0.00 42.92 39.31 1jut s ASP 169 CO -0.04 -1.37 1.85 0.58 0.52 0.00 0.00 175.17 176.70 1jut h VAL 170 N 5.96 1.01 0.01 1.11 2.07 -1.47 -1.80 116.25 123.15 1jut h VAL 170 Ca -0.24 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 1jut h VAL 170 Cb 1.07 -0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1jut h VAL 170 CO 1.17 0.18 -0.01 0.15 0.02 0.00 0.00 177.57 179.08 1jut h PHE 171 N 0.97 -0.02 0.00 1.57 3.57 -1.91 -3.38 116.94 117.74 1jut h PHE 171 Ca 0.40 -0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.74 1jut h PHE 171 Cb 0.24 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1jut h PHE 171 CO -0.03 0.69 -0.93 -0.07 -2.23 0.00 0.00 178.31 175.74 1jut h LEU 172 N -0.75 0.00 0.13 0.59 4.07 -1.96 -3.42 115.31 113.97 1jut h LEU 172 Ca -0.00 -0.50 -0.20 0.00 0.08 0.00 0.00 57.88 57.26 1jut h LEU 172 Cb 0.71 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.47 1jut h LEU 172 CO 0.00 1.29 -0.90 1.23 -1.08 0.00 0.00 178.44 178.98 1jut h GLY 173 N -1.00 0.32 -0.23 0.83 0.00 -1.62 -3.39 103.07 97.98 1jut h GLY 173 Ca -0.24 -0.83 0.19 0.00 0.00 0.00 0.00 47.33 46.46 1jut h GLY 173 CO -0.14 0.72 0.22 -2.00 0.00 0.00 0.00 176.54 175.34 1jut h LEU 174 N -0.38 0.04 -0.56 3.11 5.85 -1.53 0.10 115.31 121.95 1jut h LEU 174 Ca -0.17 0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.74 1jut h LEU 174 Cb 1.65 0.22 -0.04 0.00 0.37 0.00 0.00 40.66 42.86 1jut h LEU 174 CO 0.13 -0.07 0.34 -0.65 -0.34 0.00 0.00 178.44 177.84 1jut h PRO 175 N 0.27 0.65 0.10 5.25 0.11 -1.77 -0.63 132.00 135.97 1jut h PRO 175 Ca 0.48 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.55 1jut h PRO 175 Cb 0.89 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.86 1jut h PRO 175 CO -0.57 0.43 -0.05 0.74 -0.21 0.00 0.00 178.00 178.34 1jut h PHE 176 N 0.67 -0.12 -0.76 0.65 -1.00 -1.26 -2.65 116.94 112.47 1jut h PHE 176 Ca 0.23 -0.00 0.11 0.00 2.81 0.00 0.00 57.97 61.11 1jut h PHE 176 Cb 0.03 0.04 -0.08 0.00 3.61 0.00 0.00 35.95 39.55 1jut h PHE 176 CO -0.06 0.11 0.38 -0.91 -1.61 0.00 0.00 178.31 176.22 1jut h ASN 177 N -0.34 0.49 0.25 2.17 -0.26 -0.64 0.25 115.58 117.50 1jut h ASN 177 Ca -0.01 0.07 -0.01 0.00 -0.56 0.00 0.00 56.30 55.78 1jut h ASN 177 Cb 0.28 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.53 1jut h ASN 177 CO 0.02 0.26 -0.12 0.40 -1.06 0.00 0.00 177.43 176.94 1jut h ILE 178 N 0.62 0.81 -0.88 2.81 2.04 -1.10 -2.29 117.51 119.53 1jut h ILE 178 Ca 0.38 -0.54 0.05 0.00 1.00 0.00 0.00 64.86 65.75 1jut h ILE 178 Cb 0.43 1.11 -0.06 0.00 -0.74 0.00 0.00 36.82 37.56 1jut h ILE 178 CO -0.29 0.11 0.56 0.00 0.00 0.00 0.00 178.15 178.53 1jut h ALA 179 N 0.04 1.18 -0.31 1.87 0.00 -1.12 -1.65 119.26 119.27 1jut h ALA 179 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1jut h ALA 179 Cb 0.44 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1jut h ALA 179 CO 0.06 0.36 0.20 1.03 0.00 0.00 0.00 179.25 180.90 1jut h SER 180 N 1.05 0.36 0.32 0.00 0.87 -0.42 -1.51 113.55 114.22 1jut h SER 180 Ca 0.37 -0.02 -0.14 0.00 -1.23 0.00 0.00 61.79 60.77 1jut h SER 180 Cb 0.09 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1jut h SER 180 CO -0.14 0.27 -0.56 1.88 -0.53 0.00 0.00 176.83 177.75 1jut h TYR 181 N 0.41 0.31 -0.43 2.24 -1.99 -0.99 -1.96 116.97 114.56 1jut h TYR 181 Ca 0.11 -0.11 -0.04 0.00 2.00 0.00 0.00 58.73 60.69 1jut h TYR 181 Cb -0.03 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 38.62 1jut h TYR 181 CO -0.05 0.75 0.11 0.00 -0.00 0.00 0.00 178.16 178.96 1jut h ALA 182 N 1.23 1.39 -0.10 3.88 0.00 -1.03 0.08 119.26 124.71 1jut h ALA 182 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1jut h ALA 182 Cb 1.04 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1jut h ALA 182 CO 0.09 0.44 0.03 1.25 0.00 0.00 0.00 179.25 181.06 1jut h LEU 183 N 0.62 0.15 -1.02 0.00 5.85 -0.88 -2.12 115.31 117.91 1jut h LEU 183 Ca 0.14 -0.22 0.06 0.00 0.84 0.00 0.00 57.88 58.71 1jut h LEU 183 Cb 0.23 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.16 1jut h LEU 183 CO -0.00 0.33 0.65 0.25 -0.34 0.00 0.00 178.44 179.32 1jut h LEU 184 N -0.04 1.05 -1.02 2.25 5.85 -0.59 -0.94 115.31 121.88 1jut h LEU 184 Ca 0.03 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1jut h LEU 184 Cb 0.23 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1jut h LEU 184 CO -0.00 0.68 0.18 0.58 -0.34 0.00 0.00 178.44 179.54 1jut h VAL 185 N 1.19 1.23 -0.51 1.05 2.07 -0.72 -1.00 116.25 119.55 1jut h VAL 185 Ca 0.43 -0.78 -0.11 0.00 0.82 0.00 0.00 66.70 67.06 1jut h VAL 185 Cb 0.14 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1jut h VAL 185 CO -0.16 0.30 -0.11 0.45 0.02 0.00 0.00 177.57 178.06 1jut h HIS 186 N 0.87 1.11 0.05 1.57 3.86 -0.54 -1.50 115.15 120.56 1jut h HIS 186 Ca 0.20 -0.23 -0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1jut h HIS 186 Cb 0.25 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.45 1jut h HIS 186 CO 0.02 1.04 -0.02 0.52 0.86 0.00 0.00 177.93 180.34 1jut h MET 187 N 0.85 -0.07 -0.13 2.45 2.07 -0.80 -0.57 114.93 118.73 1jut h MET 187 Ca 0.13 0.00 0.04 0.00 -2.07 0.00 0.00 59.70 57.80 1jut h MET 187 Cb 0.68 0.01 -0.04 0.00 -1.87 0.00 0.00 31.60 30.38 1jut h MET 187 CO 0.05 0.19 -0.12 0.52 1.07 0.00 0.00 176.91 178.63 1jut h MET 188 N -0.32 -0.13 -0.79 1.72 2.86 -1.19 -1.34 114.93 115.75 1jut h MET 188 Ca -0.01 0.01 0.07 0.00 -2.06 0.00 0.00 59.70 57.71 1jut h MET 188 Cb 0.29 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.93 1jut h MET 188 CO 0.01 -0.09 0.52 0.00 1.06 0.00 0.00 176.91 178.41 1jut h ALA 189 N 0.96 1.65 -0.32 6.32 0.00 -1.16 -0.92 119.26 125.78 1jut h ALA 189 Ca 0.09 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1jut h ALA 189 Cb 0.26 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1jut h ALA 189 CO -0.21 0.22 -0.30 0.37 0.00 0.00 0.00 179.25 179.32 1jut h GLN 190 N 0.84 0.68 0.00 0.00 4.15 -0.18 -0.62 115.11 119.98 1jut h GLN 190 Ca 0.35 -0.30 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1jut h GLN 190 Cb 0.27 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 27.94 1jut h GLN 190 CO -0.12 0.90 0.00 1.96 -1.93 0.00 0.00 178.83 179.64 1jut h GLN 191 N 0.58 0.00 -0.18 1.69 1.08 -0.15 -3.12 115.11 115.02 1jut h GLN 191 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1jut h GLN 191 Cb 0.80 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.23 1jut h GLN 191 CO 0.07 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.95 1jut n ASP 193 N -0.05 -2.62 -4.66 0.00 8.00 -0.80 -4.97 116.55 111.45 1jut n ASP 193 Ca 0.07 -0.89 -0.25 0.00 0.71 0.00 0.00 54.79 54.43 1jut n ASP 193 Cb 0.38 -3.52 -0.09 0.00 -0.02 0.00 0.00 41.12 37.87 1jut n ASP 193 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1jut s LEU 194 N -7.07 3.01 0.19 0.64 1.43 -0.30 -5.05 118.68 111.52 1jut s LEU 194 Ca 0.37 -1.08 0.04 0.00 -1.03 0.00 0.00 54.13 52.42 1jut s LEU 194 Cb -0.19 -1.30 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 1jut s LEU 194 CO 0.86 -0.37 0.32 -1.61 0.23 0.00 0.00 176.35 175.77 1jut s GLU 195 N -3.77 3.44 0.14 1.70 0.41 0.24 -4.50 118.70 116.36 1jut s GLU 195 Ca 0.37 -0.67 -0.30 0.00 -0.41 0.00 0.00 54.97 53.96 1jut s GLU 195 Cb 0.03 -2.93 -0.07 0.00 -1.78 0.00 0.00 34.13 29.38 1jut s GLU 195 CO 0.20 0.48 1.03 0.14 -0.49 0.00 0.00 175.26 176.62 1jut s VAL 196 N -1.84 4.21 0.00 2.63 -7.23 -1.26 0.12 120.40 117.03 1jut s VAL 196 Ca 0.34 1.86 0.00 0.00 -1.81 0.00 0.00 61.98 62.37 1jut s VAL 196 Cb -0.10 -4.19 0.00 0.00 0.56 0.00 0.00 36.38 32.65 1jut s VAL 196 CO 0.29 0.30 0.00 0.61 -0.31 0.00 0.00 175.10 175.98 1jut n GLY 197 N 2.19 0.75 3.74 2.32 0.00 0.98 -4.52 105.19 110.66 1jut n GLY 197 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1jut n GLY 197 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jut s ASP 198 N -0.57 5.43 -0.29 1.61 1.01 -1.26 -1.75 116.67 120.85 1jut s ASP 198 Ca 0.00 0.04 -0.07 0.00 0.71 0.00 0.00 52.55 53.23 1jut s ASP 198 Cb 0.00 -1.48 0.00 0.00 1.01 0.00 0.00 42.92 42.46 1jut s ASP 198 CO 0.00 0.24 0.07 0.12 0.21 0.00 0.00 175.17 175.82 1jut s PHE 199 N -1.22 3.13 -0.30 4.23 5.36 -0.08 -0.82 117.98 128.29 1jut s PHE 199 Ca 0.24 -0.90 -0.10 0.00 -0.96 0.00 0.00 56.93 55.21 1jut s PHE 199 Cb -0.12 -2.25 -0.02 0.00 -0.34 0.00 0.00 43.02 40.30 1jut s PHE 199 CO 0.15 -0.55 0.16 0.08 -1.46 0.00 0.00 175.22 173.61 1jut s VAL 200 N 1.52 4.82 -0.22 3.12 1.01 0.19 -1.16 120.40 129.67 1jut s VAL 200 Ca 0.03 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 61.67 1jut s VAL 200 Cb -0.17 -3.41 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 1jut s VAL 200 CO 0.02 0.12 0.17 0.86 0.00 0.00 0.00 175.10 176.27 1jut s TRP 201 N 1.66 3.35 -0.04 5.22 -0.00 0.05 -0.50 118.94 128.68 1jut s TRP 201 Ca 0.06 0.28 0.06 0.00 -0.00 0.00 0.00 56.10 56.50 1jut s TRP 201 Cb -0.17 -2.25 -0.01 0.00 -0.00 0.00 0.00 33.47 31.04 1jut s TRP 201 CO 0.08 0.13 -0.23 0.99 -0.00 0.00 0.00 176.95 177.92 1jut s THR 202 N 0.86 1.83 0.07 5.86 2.01 -0.05 -1.08 115.64 125.14 1jut s THR 202 Ca 0.08 -0.96 0.07 0.00 0.31 0.00 0.00 61.69 61.20 1jut s THR 202 Cb -0.13 -1.54 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 1jut s THR 202 CO 0.03 0.51 -0.20 -0.83 -0.69 0.00 0.00 174.62 173.44 1jut s GLY 203 N -0.28 1.14 0.00 4.40 0.00 0.00 -0.77 107.32 111.82 1jut s GLY 203 Ca 0.01 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.60 1jut s GLY 203 CO 0.01 -1.10 0.00 0.61 0.00 0.00 0.00 173.10 172.62 1jut n GLY 204 N 1.45 0.85 3.53 0.20 0.00 0.42 -2.30 105.19 109.35 1jut n GLY 204 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 1jut n GLY 204 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jut s ASP 205 N -1.00 6.21 -0.32 1.61 -1.08 -0.52 -1.41 116.67 120.17 1jut s ASP 205 Ca 0.00 -0.69 -0.11 0.00 -0.52 0.00 0.00 52.55 51.23 1jut s ASP 205 Cb 0.00 -2.54 -0.01 0.00 -1.46 0.00 0.00 42.92 38.91 1jut s ASP 205 CO 0.00 -1.72 0.18 -0.89 0.52 0.00 0.00 175.17 173.26 1jut s THR 206 N 5.32 4.83 0.18 1.71 2.01 -0.42 -0.32 115.64 128.96 1jut s THR 206 Ca 0.34 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 62.02 1jut s THR 206 Cb -0.08 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 1jut s THR 206 CO 0.11 0.06 0.06 -1.38 -0.69 0.00 0.00 174.62 172.78 1jut s HIS 207 N 1.65 1.15 -0.13 4.92 -3.43 0.21 -1.22 115.29 118.43 1jut s HIS 207 Ca 0.05 -1.19 0.02 0.00 -0.80 0.00 0.00 55.06 53.15 1jut s HIS 207 Cb -0.17 -0.64 0.01 0.00 -1.43 0.00 0.00 32.58 30.35 1jut s HIS 207 CO 0.08 -0.41 -0.20 -1.17 -2.00 0.00 0.00 174.74 171.03 1jut s LEU 208 N -3.16 2.00 0.35 5.38 2.96 -0.02 -1.03 118.68 125.17 1jut s LEU 208 Ca 0.29 -0.56 -0.27 0.00 -0.22 0.00 0.00 54.13 53.38 1jut s LEU 208 Cb 0.07 -1.35 -0.09 0.00 0.50 0.00 0.00 46.19 45.32 1jut s LEU 208 CO 0.07 0.06 1.12 -0.31 -1.32 0.00 0.00 176.35 175.96 1jut s TYR 209 N 0.90 3.30 0.37 5.38 2.02 -1.26 -0.31 117.35 127.75 1jut s TYR 209 Ca -0.06 1.62 0.13 0.00 -0.37 0.00 0.00 57.07 58.40 1jut s TYR 209 Cb -0.15 -3.30 0.96 0.00 -0.40 0.00 0.00 41.96 39.06 1jut s TYR 209 CO -0.03 -0.89 1.80 0.66 -1.57 0.00 0.00 175.55 175.52 1jut h SER 210 N 3.06 0.57 -0.27 2.29 4.64 -1.47 0.70 113.55 123.07 1jut h SER 210 Ca -0.48 0.08 -0.08 0.00 -0.47 0.00 0.00 61.79 60.84 1jut h SER 210 Cb 1.22 -0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 63.24 1jut h SER 210 CO 0.64 0.18 0.10 -0.46 -0.87 0.00 0.00 176.83 176.42 1jut n ASN 211 N -4.64 2.95 0.00 4.97 6.94 -1.26 -3.19 115.26 121.03 1jut n ASN 211 Ca 0.23 -2.44 0.00 0.00 -0.02 0.00 0.00 54.58 52.35 1jut n ASN 211 Cb 0.70 -0.59 0.00 0.00 -2.36 0.00 0.00 39.78 37.53 1jut n ASN 211 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1jut n HIS 212 N 0.09 0.00 0.08 -2.53 8.25 0.24 -4.75 115.22 116.61 1jut n HIS 212 Ca 0.15 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.49 1jut n HIS 212 Cb 0.73 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.79 1jut n HIS 212 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1jut h MET 213 N 0.00 -0.40 0.55 -0.41 2.86 -1.60 0.07 114.93 115.99 1jut h MET 213 Ca 0.00 0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 1jut h MET 213 Cb 0.10 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1jut h MET 213 CO 0.00 -0.27 -0.38 -0.44 1.06 0.00 0.00 176.91 176.89 1jut h ASP 214 N -0.42 -0.96 -0.28 1.22 3.32 -1.88 -1.68 116.42 115.74 1jut h ASP 214 Ca 0.05 0.06 0.08 0.00 0.02 0.00 0.00 57.03 57.24 1jut h ASP 214 Cb 0.47 0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 1jut h ASP 214 CO -0.19 -0.57 0.22 0.06 -1.72 0.00 0.00 179.24 177.05 1jut h GLN 215 N -0.89 0.00 -0.24 3.56 -0.00 -1.90 -0.97 115.11 114.67 1jut h GLN 215 Ca -0.06 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.54 1jut h GLN 215 Cb 0.74 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.21 1jut h GLN 215 CO 0.04 0.00 -0.05 1.15 -0.00 0.00 0.00 178.83 179.97 1jut h THR 216 N 0.00 1.28 0.00 1.86 2.02 -0.10 -2.00 112.91 115.97 1jut h THR 216 Ca 0.13 -1.03 -0.09 0.00 0.77 0.00 0.00 66.41 66.19 1jut h THR 216 Cb 0.57 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 1jut h THR 216 CO -0.00 0.32 -0.41 0.45 0.37 0.00 0.00 175.52 176.25 1jut h HIS 217 N 0.20 0.00 -0.07 3.16 3.86 -0.74 -0.75 115.15 120.81 1jut h HIS 217 Ca 0.06 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1jut h HIS 217 Cb 0.50 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.97 1jut h HIS 217 CO 0.05 0.41 0.01 1.25 0.86 0.00 0.00 177.93 180.51 1jut h LEU 218 N 0.00 0.12 -0.79 2.43 7.12 -1.07 -2.38 115.31 120.74 1jut h LEU 218 Ca -0.00 -0.25 -0.04 0.00 0.13 0.00 0.00 57.88 57.72 1jut h LEU 218 Cb 0.98 -0.03 -0.04 0.00 -0.53 0.00 0.00 40.66 41.04 1jut h LEU 218 CO 0.05 0.33 0.35 -0.61 -0.13 0.00 0.00 178.44 178.44 1jut h GLN 219 N -0.11 1.15 -0.00 1.25 4.15 -1.21 -2.23 115.11 118.12 1jut h GLN 219 Ca 0.02 -0.19 0.00 0.00 0.77 0.00 0.00 58.65 59.26 1jut h GLN 219 Cb 0.26 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 27.75 1jut h GLN 219 CO 0.00 0.91 0.03 1.25 -1.93 0.00 0.00 178.83 179.09 1jut h LEU 220 N 1.13 0.00 -1.14 -2.39 5.85 -0.82 -1.28 115.31 116.66 1jut h LEU 220 Ca 0.27 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.99 1jut h LEU 220 Cb 0.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.19 1jut h LEU 220 CO -0.03 0.00 0.00 -1.54 -0.34 0.00 0.00 178.44 176.53 1jut n SER 221 N -3.09 1.67 -4.80 1.25 3.41 -0.84 -4.90 113.62 106.33 1jut n SER 221 Ca -0.03 -1.87 -0.28 0.00 -0.26 0.00 0.00 58.87 56.43 1jut n SER 221 Cb 0.10 -0.17 -0.06 0.00 -0.26 0.00 0.00 64.21 63.82 1jut n SER 221 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1jut s ARG 222 N -1.66 2.95 -0.16 4.33 0.52 -0.48 -5.10 118.95 119.36 1jut s ARG 222 Ca 0.26 -0.75 -0.18 0.00 -0.52 0.00 0.00 55.73 54.54 1jut s ARG 222 Cb 0.14 -2.72 -0.04 0.00 0.52 0.00 0.00 34.95 32.85 1jut s ARG 222 CO 0.19 0.53 0.47 -2.00 0.02 0.00 0.00 175.30 174.51 1jut s GLU 223 N -2.77 4.27 0.68 3.54 2.56 -1.26 -5.03 118.70 120.69 1jut s GLU 223 Ca 0.31 0.38 -0.17 0.00 0.00 0.00 0.00 54.97 55.49 1jut s GLU 223 Cb -0.11 -3.49 0.01 0.00 2.00 0.00 0.00 34.13 32.54 1jut s GLU 223 CO 0.23 0.05 1.27 -2.14 -0.56 0.00 0.00 175.26 174.11 1jut s PRO 224 N 1.00 2.36 0.50 4.30 0.02 -1.26 -4.83 135.00 137.08 1jut s PRO 224 Ca 0.24 1.97 0.08 0.00 0.02 0.00 0.00 61.00 63.31 1jut s PRO 224 Cb -0.15 -1.83 0.03 0.00 0.02 0.00 0.00 34.50 32.56 1jut s PRO 224 CO 0.09 -1.72 0.51 1.03 -0.33 0.00 0.00 177.00 176.58 1jut s ARG 225 N -3.56 2.42 0.50 5.54 0.52 -1.26 -5.06 118.95 118.04 1jut s ARG 225 Ca 0.80 -1.68 -0.23 0.00 -0.52 0.00 0.00 55.73 54.11 1jut s ARG 225 Cb -0.35 -2.40 -0.06 0.00 0.52 0.00 0.00 34.95 32.65 1jut s ARG 225 CO 0.42 -0.50 1.29 -2.14 0.02 0.00 0.00 175.30 174.39 1jut s PRO 226 N -4.34 3.46 0.37 3.54 0.02 -1.26 -4.94 135.00 131.85 1jut s PRO 226 Ca 0.48 2.08 -0.27 0.00 0.02 0.00 0.00 61.00 63.31 1jut s PRO 226 Cb -0.04 -2.38 -0.09 0.00 0.02 0.00 0.00 34.50 32.01 1jut s PRO 226 CO 0.29 -0.88 1.26 -0.51 -0.33 0.00 0.00 177.00 176.83 1jut s LEU 227 N -3.20 4.31 1.01 -5.54 1.02 -1.26 -4.80 118.68 110.22 1jut s LEU 227 Ca 0.67 2.57 -0.14 0.00 0.02 0.00 0.00 54.13 57.25 1jut s LEU 227 Cb -0.36 -3.81 0.19 0.00 0.02 0.00 0.00 46.19 42.23 1jut s LEU 227 CO 0.44 -0.64 1.13 -2.16 0.02 0.00 0.00 176.35 175.13 1jut s PRO 228 N -2.03 0.34 -0.04 1.29 0.04 -1.25 -4.74 135.00 128.61 1jut s PRO 228 Ca 0.53 0.26 0.04 0.00 0.04 0.00 0.00 61.00 61.87 1jut s PRO 228 Cb -0.37 -1.75 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 1jut s PRO 228 CO 0.48 -2.74 -0.15 0.15 0.04 0.00 0.00 177.00 174.78 1jut s LYS 229 N -5.21 2.46 -0.21 4.56 -0.14 0.29 -0.78 119.74 120.71 1jut s LYS 229 Ca 0.66 -0.72 -0.08 0.00 -1.36 0.00 0.00 55.97 54.47 1jut s LYS 229 Cb -0.15 -2.36 -0.04 0.00 -1.68 0.00 0.00 37.83 33.61 1jut s LYS 229 CO 0.56 0.62 0.09 -1.17 -0.76 0.00 0.00 175.35 174.68 1jut s LEU 230 N -0.80 3.87 -0.16 3.17 1.98 -1.26 -0.35 118.68 125.14 1jut s LEU 230 Ca 0.12 0.06 0.02 0.00 -2.89 0.00 0.00 54.13 51.44 1jut s LEU 230 Cb -0.11 -2.00 0.02 0.00 0.66 0.00 0.00 46.19 44.76 1jut s LEU 230 CO 0.01 0.12 -0.20 -0.63 -1.89 0.00 0.00 176.35 173.76 1jut s ILE 231 N 0.70 1.97 -0.27 6.68 -1.09 0.57 -5.01 121.20 124.75 1jut s ILE 231 Ca 0.05 -0.90 -0.10 0.00 -2.23 0.00 0.00 60.65 57.47 1jut s ILE 231 Cb -0.13 -1.77 -0.04 0.00 -1.58 0.00 0.00 42.46 38.94 1jut s ILE 231 CO 0.02 0.53 0.15 -0.63 -1.23 0.00 0.00 174.94 173.77 1jut s ILE 232 N 1.12 4.90 -2.23 2.92 1.01 -1.26 -1.32 121.20 126.34 1jut s ILE 232 Ca -0.00 -0.02 0.30 0.00 0.00 0.00 0.00 60.65 60.93 1jut s ILE 232 Cb -0.14 -3.34 0.70 0.00 0.01 0.00 0.00 42.46 39.69 1jut s ILE 232 CO -0.08 0.25 1.96 0.29 0.00 0.00 0.00 174.94 177.37 1jut n LYS 233 N 5.01 1.31 -3.56 2.79 5.02 0.03 -4.89 118.16 123.87 1jut n LYS 233 Ca -0.15 -0.49 -0.17 0.00 -2.02 0.00 0.00 58.31 55.48 1jut n LYS 233 Cb 0.51 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.97 1jut n LYS 233 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1jut s ARG 234 N -2.03 0.97 -0.53 1.97 3.52 -1.26 -5.08 118.95 116.51 1jut s ARG 234 Ca 0.42 0.50 -0.06 0.00 -0.13 0.00 0.00 55.73 56.45 1jut s ARG 234 Cb 0.21 0.46 0.14 0.00 -1.56 0.00 0.00 34.95 34.20 1jut s ARG 234 CO 0.36 -0.25 0.38 0.21 -0.81 0.00 0.00 175.30 175.19 1jut s LYS 235 N -0.65 2.49 0.78 5.12 2.20 -1.26 -5.07 119.74 123.34 1jut s LYS 235 Ca -0.07 -2.05 -0.12 0.00 -0.36 0.00 0.00 55.97 53.37 1jut s LYS 235 Cb -0.02 -3.84 0.06 0.00 -1.51 0.00 0.00 37.83 32.53 1jut s LYS 235 CO 0.07 -1.17 1.12 -2.14 -0.36 0.00 0.00 175.35 172.87 1jut s PRO 236 N 0.82 2.05 0.47 4.03 0.02 -1.26 -4.92 135.00 136.21 1jut s PRO 236 Ca 0.10 1.37 0.12 0.00 0.02 0.00 0.00 61.00 62.62 1jut s PRO 236 Cb -0.22 -1.86 1.09 0.00 0.02 0.00 0.00 34.50 33.52 1jut s PRO 236 CO -0.03 -1.83 2.10 1.49 -0.33 0.00 0.00 177.00 178.40 1jut h GLU 237 N -0.99 0.20 -4.22 5.54 4.57 -1.98 -3.44 114.58 114.26 1jut h GLU 237 Ca -0.44 -0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 57.60 1jut h GLU 237 Cb 1.25 -0.04 -0.15 0.00 -0.16 0.00 0.00 28.75 29.65 1jut h GLU 237 CO 0.49 0.15 -0.66 -1.54 -1.18 0.00 0.00 179.01 176.27 1jut s SER 238 N -6.93 0.47 0.37 1.04 1.04 -1.26 -5.02 113.70 103.41 1jut s SER 238 Ca -0.06 -0.98 0.27 0.00 0.48 0.00 0.00 55.95 55.66 1jut s SER 238 Cb 0.17 0.21 1.26 0.00 0.10 0.00 0.00 66.02 67.76 1jut s SER 238 CO 0.70 -0.61 1.82 -0.29 0.98 0.00 0.00 173.24 175.84 1jut h ILE 239 N 3.13 0.00 -0.29 -1.02 2.10 -1.95 -0.16 117.51 119.32 1jut h ILE 239 Ca -0.34 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.42 1jut h ILE 239 Cb 1.14 0.92 0.00 0.00 -1.09 0.00 0.00 36.82 37.79 1jut h ILE 239 CO 0.65 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 178.21 1jut n PHE 240 N -2.48 0.38 -0.32 2.19 3.72 -1.26 -4.07 117.46 115.63 1jut n PHE 240 Ca 0.00 -0.19 0.09 0.00 -0.05 0.00 0.00 57.45 57.30 1jut n PHE 240 Cb 0.17 0.00 0.26 0.00 -0.94 0.00 0.00 39.48 38.97 1jut n PHE 240 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1jut n ASP 241 N 0.61 3.62 -4.83 4.37 9.92 -0.07 -4.99 116.55 125.19 1jut n ASP 241 Ca 0.15 -2.03 -0.33 0.00 -0.53 0.00 0.00 54.79 52.06 1jut n ASP 241 Cb 0.37 -0.40 -0.03 0.00 -0.64 0.00 0.00 41.12 40.42 1jut n ASP 241 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1jut s TYR 242 N -1.05 3.28 0.13 1.24 2.02 -1.26 -4.87 117.35 116.84 1jut s TYR 242 Ca 0.40 1.50 0.06 0.00 -0.37 0.00 0.00 57.07 58.66 1jut s TYR 242 Cb 0.21 -2.88 -0.04 0.00 -0.40 0.00 0.00 41.96 38.86 1jut s TYR 242 CO 0.26 -0.57 -0.15 1.03 -1.57 0.00 0.00 175.55 174.56 1jut s ARG 243 N -3.91 1.06 0.20 -0.62 0.52 -1.26 -5.05 118.95 109.90 1jut s ARG 243 Ca 0.61 -1.27 -0.17 0.00 -0.52 0.00 0.00 55.73 54.38 1jut s ARG 243 Cb -0.12 -0.98 0.19 0.00 0.52 0.00 0.00 34.95 34.56 1jut s ARG 243 CO 0.30 0.19 1.60 0.35 0.02 0.00 0.00 175.30 177.76 1jut h PHE 244 N 3.48 -0.70 0.00 -0.53 3.57 -1.97 -0.30 116.94 120.49 1jut h PHE 244 Ca -0.40 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.17 1jut h PHE 244 Cb 1.20 0.40 0.00 0.00 2.79 0.00 0.00 35.95 40.34 1jut h PHE 244 CO 0.66 -0.35 0.13 0.93 -2.23 0.00 0.00 178.31 177.45 1jut h GLU 245 N -0.10 0.00 0.00 1.11 3.07 -2.03 -2.23 114.58 114.40 1jut h GLU 245 Ca 0.27 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.13 1jut h GLU 245 Cb 0.54 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 1jut h GLU 245 CO -0.70 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 176.66 1jut n ASP 246 N -2.27 0.35 -4.65 1.42 8.00 -0.12 -4.77 116.55 114.51 1jut n ASP 246 Ca -0.01 0.56 -0.35 0.00 0.71 0.00 0.00 54.79 55.70 1jut n ASP 246 Cb 0.16 -0.64 -0.10 0.00 -0.02 0.00 0.00 41.12 40.52 1jut n ASP 246 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1jut s PHE 247 N -3.10 3.15 -0.05 1.24 0.08 -0.84 -0.79 117.98 117.68 1jut s PHE 247 Ca 0.09 0.12 -0.02 0.00 0.12 0.00 0.00 56.93 57.24 1jut s PHE 247 Cb 0.13 -1.84 0.03 0.00 -0.57 0.00 0.00 43.02 40.77 1jut s PHE 247 CO 0.45 0.37 0.09 -2.00 -0.10 0.00 0.00 175.22 174.03 1jut s GLU 248 N -0.59 -0.04 -0.18 0.44 2.56 -0.44 -5.01 118.70 115.45 1jut s GLU 248 Ca 0.10 0.41 -0.13 0.00 0.00 0.00 0.00 54.97 55.34 1jut s GLU 248 Cb -0.12 -0.41 -0.05 0.00 2.00 0.00 0.00 34.13 35.56 1jut s GLU 248 CO 0.02 -0.30 0.27 0.42 -0.56 0.00 0.00 175.26 175.12 1jut s ILE 249 N 2.04 5.31 0.12 -3.70 -1.09 -1.26 -0.32 121.20 122.31 1jut s ILE 249 Ca 0.02 0.49 0.09 0.00 -2.23 0.00 0.00 60.65 59.02 1jut s ILE 249 Cb -0.12 -3.61 -0.04 0.00 -1.58 0.00 0.00 42.46 37.10 1jut s ILE 249 CO -0.04 0.37 -0.15 -1.61 -1.23 0.00 0.00 174.94 172.28 1jut s GLU 250 N 0.62 1.89 -1.33 2.79 0.41 0.53 -4.72 118.70 118.89 1jut s GLU 250 Ca 0.15 -1.16 -0.06 0.00 -0.41 0.00 0.00 54.97 53.49 1jut s GLU 250 Cb -0.13 -2.16 0.01 0.00 -1.78 0.00 0.00 34.13 30.07 1jut s GLU 250 CO 0.04 0.48 0.79 0.41 -0.49 0.00 0.00 175.26 176.48 1jut n GLY 251 N 0.65 -0.40 3.39 -1.39 0.00 -1.26 -0.55 105.19 105.63 1jut n GLY 251 Ca -0.14 0.10 -0.45 0.00 0.00 0.00 0.00 46.02 45.53 1jut n GLY 251 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jut s TYR 252 N -3.20 3.15 -0.66 1.61 5.04 -1.26 -4.28 117.35 117.75 1jut s TYR 252 Ca 0.39 -0.88 0.05 0.00 -2.44 0.00 0.00 57.07 54.19 1jut s TYR 252 Cb -0.17 -3.50 0.18 0.00 0.35 0.00 0.00 41.96 38.82 1jut s TYR 252 CO 0.48 -0.97 0.52 -3.47 -1.34 0.00 0.00 175.55 170.77 1jut n ASP 253 N 5.65 2.74 -4.55 4.32 2.03 -1.26 -5.11 116.55 120.37 1jut n ASP 253 Ca -0.11 -3.16 -0.28 0.00 0.52 0.00 0.00 54.79 51.77 1jut n ASP 253 Cb 0.43 -0.72 0.13 0.00 -0.72 0.00 0.00 41.12 40.24 1jut n ASP 253 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1jut s PRO 254 N -1.46 1.41 0.74 -0.67 0.04 -1.26 -4.87 135.00 128.92 1jut s PRO 254 Ca 0.28 -0.32 -0.08 0.00 0.04 0.00 0.00 61.00 60.92 1jut s PRO 254 Cb -0.00 -1.99 0.08 0.00 0.04 0.00 0.00 34.50 32.62 1jut s PRO 254 CO -0.15 -1.87 1.07 -1.01 0.04 0.00 0.00 177.00 175.08 1jut s HIS 255 N -3.60 2.78 0.54 0.56 3.76 0.14 -4.89 115.29 114.57 1jut s HIS 255 Ca 0.67 0.46 -0.22 0.00 -0.15 0.00 0.00 55.06 55.83 1jut s HIS 255 Cb -0.07 -3.31 -0.06 0.00 1.11 0.00 0.00 32.58 30.25 1jut s HIS 255 CO 0.49 -1.58 1.26 -2.30 -0.85 0.00 0.00 174.74 171.77 1jut n PRO 256 N -3.05 1.56 -0.92 8.40 -0.02 -1.26 -2.17 135.00 137.53 1jut n PRO 256 Ca 0.09 0.57 -0.29 0.00 -2.02 0.00 0.00 63.50 61.85 1jut n PRO 256 Cb 0.60 -2.46 0.20 0.00 -0.02 0.00 0.00 33.50 31.83 1jut n PRO 256 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1jut s GLY 257 N -0.92 1.57 -0.10 -1.23 0.00 -1.26 -3.81 107.32 101.56 1jut s GLY 257 Ca 0.71 -0.22 -0.03 0.00 0.00 0.00 0.00 44.72 45.17 1jut s GLY 257 CO 0.50 0.42 0.07 -0.42 0.00 0.00 0.00 173.10 173.67 1jut s ILE 258 N -2.76 -0.07 0.37 0.90 1.01 -1.26 -4.83 121.20 114.56 1jut s ILE 258 Ca 0.66 0.15 -0.25 0.00 0.00 0.00 0.00 60.65 61.21 1jut s ILE 258 Cb -0.21 -0.36 -0.09 0.00 0.01 0.00 0.00 42.46 41.81 1jut s ILE 258 CO 0.60 -0.02 1.04 -0.54 0.00 0.00 0.00 174.94 176.02 1jut s LYS 259 N 2.14 4.28 -0.22 2.79 1.02 -1.26 -5.06 119.74 123.43 1jut s LYS 259 Ca 0.04 1.53 -0.20 0.00 0.02 0.00 0.00 55.97 57.35 1jut s LYS 259 Cb -0.14 -2.66 0.06 0.00 -0.52 0.00 0.00 37.83 34.57 1jut s LYS 259 CO -0.06 -0.04 0.59 0.00 -0.92 0.00 0.00 175.35 174.92 1jut s ALA 260 N -1.59 -1.46 0.13 5.17 0.00 -1.26 -4.96 121.76 117.78 1jut s ALA 260 Ca 0.55 1.67 -0.30 0.00 0.00 0.00 0.00 51.96 53.88 1jut s ALA 260 Cb -0.23 -0.97 -0.07 0.00 0.00 0.00 0.00 23.12 21.85 1jut s ALA 260 CO 0.29 -0.28 1.25 -1.25 0.00 0.00 0.00 175.76 175.77 1jut s PRO 261 N 0.33 4.42 -0.10 0.00 0.04 -1.26 -5.01 135.00 133.42 1jut s PRO 261 Ca -0.00 1.90 -0.25 0.00 0.04 0.00 0.00 61.00 62.69 1jut s PRO 261 Cb -0.04 -3.27 -0.03 0.00 0.04 0.00 0.00 34.50 31.20 1jut s PRO 261 CO 0.01 -0.24 0.81 0.54 0.04 0.00 0.00 177.00 178.15 1jut s VAL 262 N 0.60 4.94 -0.06 -0.36 0.11 -1.26 -5.00 120.40 119.37 1jut s VAL 262 Ca 0.58 1.64 -0.30 0.00 -2.93 0.00 0.00 61.98 60.97 1jut s VAL 262 Cb -0.33 -4.13 -0.03 0.00 -1.53 0.00 0.00 36.38 30.36 1jut s VAL 262 CO 0.33 0.13 1.19 0.00 -3.33 0.00 0.00 175.10 173.42 1jut s ALA 263 N 1.46 3.49 -2.94 1.54 0.00 -1.26 -5.21 121.76 118.84 1jut s ALA 263 Ca 0.40 0.61 0.24 0.00 0.00 0.00 0.00 51.96 53.22 1jut s ALA 263 Cb -0.18 -3.51 0.29 0.00 0.00 0.00 0.00 23.12 19.72 1jut s ALA 263 CO 0.17 -0.75 1.32 -0.89 0.00 0.00 0.00 175.76 175.60