#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a74 n LEU 3 N 0.00 0.00 -4.86 0.00 0.00 -1.26 -4.97 117.00 105.91 1a74 n LEU 3 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 56.01 55.70 1a74 n LEU 3 Cb 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 43.42 43.45 1a74 n LEU 3 CO 0.00 -0.16 0.55 0.42 0.00 0.00 0.00 177.39 178.21 1a74 s THR 4 N -1.31 4.66 0.42 1.96 -4.23 -1.26 -4.92 115.64 110.95 1a74 s THR 4 Ca 0.00 0.92 0.09 0.00 -1.18 0.00 0.00 61.69 61.52 1a74 s THR 4 Cb 0.00 -3.72 0.29 0.00 1.34 0.00 0.00 72.50 70.41 1a74 s THR 4 CO 0.00 -0.58 2.03 0.78 -0.54 0.00 0.00 174.62 176.31 1a74 h ASN 5 N 1.15 0.44 0.23 3.99 2.35 -1.99 -0.69 115.58 121.06 1a74 h ASN 5 Ca -0.47 -0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.17 1a74 h ASN 5 Cb 1.19 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.44 1a74 h ASN 5 CO 0.63 0.30 -0.39 0.00 -1.65 0.00 0.00 177.43 176.32 1a74 h ALA 6 N 1.73 1.15 0.01 -0.83 0.00 -1.99 -1.24 119.26 118.08 1a74 h ALA 6 Ca 0.19 -0.40 -0.19 0.00 0.00 0.00 0.00 54.91 54.52 1a74 h ALA 6 Cb 0.14 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1a74 h ALA 6 CO -0.05 0.57 -0.88 1.96 0.00 0.00 0.00 179.25 180.85 1a74 h GLN 7 N 0.19 0.08 -0.06 0.00 4.20 -1.55 -2.58 115.11 115.39 1a74 h GLN 7 Ca 0.02 -0.10 -0.17 0.00 0.06 0.00 0.00 58.65 58.46 1a74 h GLN 7 Cb 0.78 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 1a74 h GLN 7 CO 0.06 0.91 -0.71 0.82 -0.67 0.00 0.00 178.83 179.24 1a74 h ILE 8 N 0.04 1.40 -0.59 2.54 1.08 -1.03 -1.93 117.51 119.02 1a74 h ILE 8 Ca -0.03 -2.16 -0.05 0.00 -0.39 0.00 0.00 64.86 62.23 1a74 h ILE 8 Cb 1.54 2.13 -0.03 0.00 -3.07 0.00 0.00 36.82 37.39 1a74 h ILE 8 CO 0.12 0.64 0.18 -0.07 -0.69 0.00 0.00 178.15 178.34 1a74 h LEU 9 N 0.22 0.87 -0.96 1.44 3.38 -1.17 -0.01 115.31 119.08 1a74 h LEU 9 Ca -0.02 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 1a74 h LEU 9 Cb 1.27 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 1a74 h LEU 9 CO 0.12 0.85 0.18 0.00 0.09 0.00 0.00 178.44 179.67 1a74 h ALA 10 N 1.05 1.16 -0.53 1.53 0.00 -1.29 0.89 119.26 122.07 1a74 h ALA 10 Ca 0.19 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1a74 h ALA 10 Cb 0.29 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1a74 h ALA 10 CO -0.01 0.58 0.03 0.28 0.00 0.00 0.00 179.25 180.13 1a74 h VAL 11 N 0.91 1.26 -0.49 0.00 2.07 -0.81 -1.92 116.25 117.27 1a74 h VAL 11 Ca 0.20 -1.06 -0.04 0.00 0.82 0.00 0.00 66.70 66.62 1a74 h VAL 11 Cb 0.27 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1a74 h VAL 11 CO -0.01 0.38 0.14 0.40 0.02 0.00 0.00 177.57 178.50 1a74 h ILE 12 N 0.80 1.23 -0.64 4.57 2.04 -0.39 -2.08 117.51 123.04 1a74 h ILE 12 Ca 0.15 -0.80 0.01 0.00 1.00 0.00 0.00 64.86 65.23 1a74 h ILE 12 Cb 0.49 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1a74 h ILE 12 CO 0.02 0.29 0.41 0.44 0.00 0.00 0.00 178.15 179.32 1a74 h ASP 13 N 0.66 0.71 0.68 1.72 3.32 -0.68 -0.59 116.42 122.24 1a74 h ASP 13 Ca 0.16 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.11 1a74 h ASP 13 Cb 0.30 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1a74 h ASP 13 CO -0.00 0.51 -0.40 0.77 -1.72 0.00 0.00 179.24 178.40 1a74 h SER 14 N 0.84 0.00 -0.11 6.45 4.64 -1.24 -1.48 113.55 122.66 1a74 h SER 14 Ca 0.24 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.47 1a74 h SER 14 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1a74 h SER 14 CO -0.07 0.40 -0.28 -0.25 -0.87 0.00 0.00 176.83 175.76 1a74 h TRP 15 N 0.00 0.49 -0.74 4.77 7.01 -0.82 -2.33 115.95 124.34 1a74 h TRP 15 Ca -0.00 -0.19 -0.04 0.00 2.11 0.00 0.00 58.89 60.76 1a74 h TRP 15 Cb 0.85 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 27.79 1a74 h TRP 15 CO 0.00 0.90 0.29 0.93 -2.79 0.00 0.00 178.44 177.77 1a74 h GLU 16 N -0.06 1.10 -0.48 2.65 5.08 -0.97 0.31 114.58 122.20 1a74 h GLU 16 Ca -0.01 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1a74 h GLU 16 Cb 0.89 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1a74 h GLU 16 CO 0.06 0.89 0.28 0.93 -1.00 0.00 0.00 179.01 180.18 1a74 h GLU 17 N 1.07 0.65 -0.10 2.33 4.39 -1.25 0.11 114.58 121.79 1a74 h GLU 17 Ca 0.25 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.77 1a74 h GLU 17 Cb 0.21 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1a74 h GLU 17 CO -0.02 0.48 -0.40 1.15 -1.16 0.00 0.00 179.01 179.06 1a74 h THR 18 N 0.64 1.39 -0.16 1.13 2.02 -1.11 -3.22 112.91 113.59 1a74 h THR 18 Ca 0.17 -1.75 -0.08 0.00 0.77 0.00 0.00 66.41 65.52 1a74 h THR 18 Cb 0.00 2.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.62 1a74 h THR 18 CO -0.03 0.52 -0.25 0.58 0.37 0.00 0.00 175.52 176.71 1a74 h VAL 19 N 0.01 1.24 -0.13 3.16 2.07 -0.90 -2.54 116.25 119.16 1a74 h VAL 19 Ca -0.02 -1.15 0.04 0.00 0.82 0.00 0.00 66.70 66.39 1a74 h VAL 19 Cb 1.04 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1a74 h VAL 19 CO 0.08 0.35 0.17 1.23 0.02 0.00 0.00 177.57 179.43 1a74 h GLY 20 N 0.98 0.00 -1.50 2.17 0.00 -0.78 0.83 103.07 104.77 1a74 h GLY 20 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1a74 h GLY 20 CO 0.04 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.52 1a74 n GLN 21 N -3.67 2.10 -2.30 4.80 6.02 -0.96 -4.92 117.38 118.46 1a74 n GLN 21 Ca 0.00 -1.64 -0.35 0.00 -0.01 0.00 0.00 57.00 55.00 1a74 n GLN 21 Cb 0.28 -1.45 -0.01 0.00 1.02 0.00 0.00 30.24 30.08 1a74 n GLN 21 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1a74 s PHE 22 N -1.72 2.77 0.10 1.08 0.40 0.28 -4.90 117.98 116.00 1a74 s PHE 22 Ca 0.35 1.55 -0.35 0.00 -0.60 0.00 0.00 56.93 57.88 1a74 s PHE 22 Cb 0.20 -3.29 -0.14 0.00 0.51 0.00 0.00 43.02 40.30 1a74 s PHE 22 CO 0.29 -1.46 1.56 -2.30 0.70 0.00 0.00 175.22 174.02 1a74 n PRO 23 N -1.02 1.87 -3.30 0.24 -0.02 -1.25 -4.66 135.00 126.86 1a74 n PRO 23 Ca 0.10 0.68 -0.41 0.00 -2.02 0.00 0.00 63.50 61.85 1a74 n PRO 23 Cb 0.50 -2.42 -0.08 0.00 -0.02 0.00 0.00 33.50 31.48 1a74 n PRO 23 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1a74 s VAL 24 N 1.26 5.08 -0.15 -1.45 1.01 -1.26 -1.79 120.40 123.10 1a74 s VAL 24 Ca 0.82 0.35 -0.04 0.00 0.00 0.00 0.00 61.98 63.12 1a74 s VAL 24 Cb -0.76 -3.88 -0.03 0.00 0.00 0.00 0.00 36.38 31.71 1a74 s VAL 24 CO 0.43 -0.10 -0.02 -0.63 0.00 0.00 0.00 175.10 174.77 1a74 s ILE 25 N 2.25 4.05 -0.24 2.22 -1.09 0.16 -4.90 121.20 123.65 1a74 s ILE 25 Ca 0.17 -0.31 -0.20 0.00 -2.23 0.00 0.00 60.65 58.08 1a74 s ILE 25 Cb -0.16 -2.77 -0.02 0.00 -1.58 0.00 0.00 42.46 37.93 1a74 s ILE 25 CO 0.12 0.51 0.61 -0.89 -1.23 0.00 0.00 174.94 174.06 1a74 s THR 26 N 0.17 5.01 -0.04 2.92 2.01 -1.26 -0.78 115.64 123.66 1a74 s THR 26 Ca -0.01 1.11 0.07 0.00 0.31 0.00 0.00 61.69 63.17 1a74 s THR 26 Cb -0.13 -3.92 -0.02 0.00 0.01 0.00 0.00 72.50 68.44 1a74 s THR 26 CO 0.02 0.06 -0.24 -1.00 -0.69 0.00 0.00 174.62 172.78 1a74 s HIS 27 N 2.30 2.43 -0.28 4.92 3.76 0.12 -4.98 115.29 123.56 1a74 s HIS 27 Ca 0.26 -0.47 -0.11 0.00 -0.15 0.00 0.00 55.06 54.58 1a74 s HIS 27 Cb -0.16 -1.55 -0.05 0.00 1.11 0.00 0.00 32.58 31.93 1a74 s HIS 27 CO 0.09 -0.05 0.20 -1.01 -0.85 0.00 0.00 174.74 173.11 1a74 s HIS 28 N -0.49 3.23 0.14 1.40 3.76 -1.26 -0.90 115.29 121.17 1a74 s HIS 28 Ca 0.06 0.15 0.07 0.00 -0.15 0.00 0.00 55.06 55.19 1a74 s HIS 28 Cb -0.11 -2.38 -0.04 0.00 1.11 0.00 0.00 32.58 31.16 1a74 s HIS 28 CO 0.01 -0.14 -0.16 0.14 -0.85 0.00 0.00 174.74 173.74 1a74 s VAL 29 N 1.71 1.54 0.16 -0.90 -7.23 -0.32 -4.94 120.40 110.42 1a74 s VAL 29 Ca 0.08 -1.84 -0.30 0.00 -1.81 0.00 0.00 61.98 58.11 1a74 s VAL 29 Cb -0.16 -1.70 -0.07 0.00 0.56 0.00 0.00 36.38 35.02 1a74 s VAL 29 CO 0.10 -0.40 1.01 -2.16 -0.31 0.00 0.00 175.10 173.34 1a74 s PRO 30 N -2.82 4.69 0.00 4.82 0.04 -1.26 0.44 135.00 140.91 1a74 s PRO 30 Ca 0.13 1.55 0.16 0.00 0.04 0.00 0.00 61.00 62.88 1a74 s PRO 30 Cb -0.05 -3.33 -0.11 0.00 0.04 0.00 0.00 34.50 31.06 1a74 s PRO 30 CO 0.04 0.21 0.76 1.28 0.04 0.00 0.00 177.00 179.33 1a74 n LEU 31 N 2.43 1.12 0.00 -3.56 4.77 -0.50 -0.04 117.00 121.22 1a74 n LEU 31 Ca 0.02 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 1a74 n LEU 31 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1a74 n LEU 31 CO 0.52 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 1a74 n GLY 32 N 1.30 2.30 2.26 -0.72 0.00 -1.25 -0.65 105.19 108.43 1a74 n GLY 32 Ca 0.05 -1.88 -0.12 0.00 0.00 0.00 0.00 46.02 44.06 1a74 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a74 n GLY 33 N 1.81 0.24 3.49 -0.02 0.00 -1.19 -2.44 105.19 107.08 1a74 n GLY 33 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1a74 n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a74 n GLY 34 N -1.13 0.60 3.84 -0.02 0.00 -1.26 -4.98 105.19 102.23 1a74 n GLY 34 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 1a74 n GLY 34 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a74 s LEU 35 N 0.00 4.07 -0.00 0.99 1.43 -1.02 -5.00 118.68 119.15 1a74 s LEU 35 Ca 0.00 1.34 0.07 0.00 -1.03 0.00 0.00 54.13 54.51 1a74 s LEU 35 Cb 0.00 -4.09 -0.03 0.00 0.03 0.00 0.00 46.19 42.10 1a74 s LEU 35 CO 0.00 -0.20 -0.22 -1.10 0.23 0.00 0.00 176.35 175.06 1a74 s GLN 36 N -2.92 2.13 0.28 1.70 -1.52 -1.26 -1.41 119.66 116.66 1a74 s GLN 36 Ca 0.54 -0.92 0.02 0.00 -1.95 0.00 0.00 55.36 53.05 1a74 s GLN 36 Cb -0.11 -2.13 -0.01 0.00 -0.22 0.00 0.00 33.01 30.54 1a74 s GLN 36 CO 0.17 0.56 0.08 0.41 -0.25 0.00 0.00 175.29 176.27 1a74 n GLY 37 N 2.12 3.57 3.04 3.09 0.00 0.17 -4.89 105.19 112.29 1a74 n GLY 37 Ca -0.16 -2.09 -0.23 0.00 0.00 0.00 0.00 46.02 43.53 1a74 n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a74 s THR 38 N -2.51 1.06 -0.03 2.61 2.01 -1.26 -1.17 115.64 116.34 1a74 s THR 38 Ca 0.12 -0.49 0.04 0.00 0.31 0.00 0.00 61.69 61.67 1a74 s THR 38 Cb 0.01 -0.94 -0.00 0.00 0.01 0.00 0.00 72.50 71.57 1a74 s THR 38 CO 0.08 0.32 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.43 1a74 s LEU 39 N 0.30 1.90 -0.38 4.42 1.02 -0.08 -4.97 118.68 120.89 1a74 s LEU 39 Ca -0.07 -0.30 -0.05 0.00 0.02 0.00 0.00 54.13 53.73 1a74 s LEU 39 Cb -0.12 -0.84 0.08 0.00 0.02 0.00 0.00 46.19 45.34 1a74 s LEU 39 CO 0.02 0.14 0.17 -1.00 0.02 0.00 0.00 176.35 175.70 1a74 s HIS 40 N 0.01 3.41 -0.09 0.29 3.76 -1.26 -0.70 115.29 120.70 1a74 s HIS 40 Ca -0.02 -1.93 -0.14 0.00 -0.15 0.00 0.00 55.06 52.82 1a74 s HIS 40 Cb -0.10 -2.83 -0.05 0.00 1.11 0.00 0.00 32.58 30.72 1a74 s HIS 40 CO 0.01 -0.88 0.35 0.00 -0.85 0.00 0.00 174.74 173.37 1a74 s TYR 42 N -0.19 3.44 -0.15 0.00 1.51 -1.26 0.39 117.35 121.10 1a74 s TYR 42 Ca 0.20 -1.56 -0.18 0.00 -1.01 0.00 0.00 57.07 54.52 1a74 s TYR 42 Cb -0.14 -3.84 -0.04 0.00 -0.11 0.00 0.00 41.96 37.83 1a74 s TYR 42 CO 0.08 -1.04 0.48 -1.21 -1.11 0.00 0.00 175.55 172.75 1a74 s GLU 43 N 1.11 4.29 0.25 -0.62 2.02 -0.74 -0.36 118.70 124.65 1a74 s GLU 43 Ca 0.11 0.41 -0.30 0.00 0.02 0.00 0.00 54.97 55.21 1a74 s GLU 43 Cb -0.21 -3.48 -0.09 0.00 0.10 0.00 0.00 34.13 30.45 1a74 s GLU 43 CO -0.02 0.06 1.29 -1.50 0.02 0.00 0.00 175.26 175.11 1a74 s ILE 44 N 0.95 3.06 0.75 -1.63 2.07 -0.05 -3.86 121.20 122.49 1a74 s ILE 44 Ca 0.25 0.95 -0.16 0.00 -1.41 0.00 0.00 60.65 60.28 1a74 s ILE 44 Cb -0.15 -3.61 -0.03 0.00 0.13 0.00 0.00 42.46 38.80 1a74 s ILE 44 CO 0.10 0.18 0.51 -2.65 -1.91 0.00 0.00 174.94 171.16 1a74 n PRO 45 N 1.85 0.24 0.25 3.50 -0.02 -1.26 -4.90 135.00 134.67 1a74 n PRO 45 Ca 0.03 0.12 0.14 0.00 -2.02 0.00 0.00 63.50 61.78 1a74 n PRO 45 Cb 0.43 -1.83 0.58 0.00 -0.02 0.00 0.00 33.50 32.66 1a74 n PRO 45 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1a74 h LEU 46 N -0.50 0.00 -7.86 2.45 3.38 -1.93 -3.46 115.31 107.39 1a74 h LEU 46 Ca -0.45 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.45 1a74 h LEU 46 Cb 1.34 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.97 1a74 h LEU 46 CO 0.42 0.08 -0.20 0.00 0.09 0.00 0.00 178.44 178.83 1a74 s ALA 47 N -3.65 -0.39 0.50 1.53 0.00 -1.26 -5.15 121.76 113.34 1a74 s ALA 47 Ca 0.01 -0.58 -0.23 0.00 0.00 0.00 0.00 51.96 51.16 1a74 s ALA 47 Cb 0.09 0.80 -0.07 0.00 0.00 0.00 0.00 23.12 23.94 1a74 s ALA 47 CO 0.58 -0.67 1.38 0.00 0.00 0.00 0.00 175.76 177.05 1a74 n ALA 48 N -0.23 1.73 -1.90 0.00 0.00 -1.26 -4.32 120.51 114.53 1a74 n ALA 48 Ca -0.10 0.18 -0.32 0.00 0.00 0.00 0.00 53.44 53.20 1a74 n ALA 48 Cb 0.63 -2.36 -0.05 0.00 0.00 0.00 0.00 19.45 17.66 1a74 n ALA 48 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1a74 s PRO 49 N -2.66 4.05 -0.22 0.00 0.04 -1.26 -5.14 135.00 129.81 1a74 s PRO 49 Ca 0.67 0.94 0.10 0.00 0.04 0.00 0.00 61.00 62.74 1a74 s PRO 49 Cb -0.44 -2.21 -0.20 0.00 0.04 0.00 0.00 34.50 31.69 1a74 s PRO 49 CO 0.53 -0.11 -0.07 0.66 0.04 0.00 0.00 177.00 178.05 1a74 n TYR 50 N -1.06 0.00 0.00 0.56 4.01 -1.26 -4.80 117.16 114.61 1a74 n TYR 50 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 1a74 n TYR 50 Cb 0.54 -0.97 0.00 0.00 -0.31 0.00 0.00 39.34 38.60 1a74 n TYR 50 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1a74 n GLY 51 N 2.04 3.64 3.67 2.72 0.00 -1.26 -4.58 105.19 111.42 1a74 n GLY 51 Ca -0.38 -1.08 -0.49 0.00 0.00 0.00 0.00 46.02 44.07 1a74 n GLY 51 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1a74 n VAL 52 N -1.36 0.55 -0.13 1.61 0.31 -1.26 -1.18 118.33 116.87 1a74 n VAL 52 Ca 0.00 -0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 1a74 n VAL 52 Cb 0.00 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.07 1a74 n VAL 52 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a74 n GLY 53 N 4.55 0.90 3.78 2.92 0.00 -1.26 -4.97 105.19 111.11 1a74 n GLY 53 Ca 0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.90 1a74 n GLY 53 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a74 s PHE 54 N -2.48 3.42 -0.07 1.61 0.40 -0.32 -0.44 117.98 120.10 1a74 s PHE 54 Ca 0.00 0.36 -0.08 0.00 -0.60 0.00 0.00 56.93 56.61 1a74 s PHE 54 Cb 0.00 -1.95 0.02 0.00 0.51 0.00 0.00 43.02 41.60 1a74 s PHE 54 CO 0.00 0.54 0.21 0.00 0.70 0.00 0.00 175.22 176.67 1a74 s ALA 55 N -0.63 -0.52 -0.22 5.36 0.00 -0.88 -4.56 121.76 120.31 1a74 s ALA 55 Ca 0.12 0.52 -0.22 0.00 0.00 0.00 0.00 51.96 52.38 1a74 s ALA 55 Cb -0.12 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 1a74 s ALA 55 CO 0.02 -0.12 0.70 0.21 0.00 0.00 0.00 175.76 176.58 1a74 s LYS 56 N -0.08 4.18 0.00 0.00 2.20 -1.26 -1.06 119.74 123.72 1a74 s LYS 56 Ca -0.02 0.73 0.16 0.00 -0.36 0.00 0.00 55.97 56.48 1a74 s LYS 56 Cb -0.02 -3.62 -0.00 0.00 -1.51 0.00 0.00 37.83 32.68 1a74 s LYS 56 CO 0.01 -0.38 0.86 0.27 -0.36 0.00 0.00 175.35 175.75 1a74 n ASN 57 N 5.52 1.64 -3.57 1.43 2.04 -0.64 -4.99 115.26 116.70 1a74 n ASN 57 Ca 0.01 -1.32 -0.09 0.00 -0.44 0.00 0.00 54.58 52.74 1a74 n ASN 57 Cb 0.49 0.47 -0.02 0.00 -2.53 0.00 0.00 39.78 38.19 1a74 n ASN 57 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 1a74 s GLY 58 N -1.91 -0.43 0.30 4.83 0.00 -1.03 -4.93 107.32 104.15 1a74 s GLY 58 Ca 0.13 0.37 0.04 0.00 0.00 0.00 0.00 44.72 45.26 1a74 s GLY 58 CO 0.41 0.12 1.50 -1.05 0.00 0.00 0.00 173.10 174.08 1a74 n PRO 59 N -0.38 -0.07 -2.64 2.90 -0.02 -1.26 -1.63 135.00 131.90 1a74 n PRO 59 Ca -0.11 1.42 -0.08 0.00 -2.02 0.00 0.00 63.50 62.71 1a74 n PRO 59 Cb 0.63 -2.29 0.04 0.00 -0.02 0.00 0.00 33.50 31.86 1a74 n PRO 59 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1a74 n THR 60 N -5.40 1.51 -4.52 3.45 -2.24 -1.26 -5.05 114.28 100.77 1a74 n THR 60 Ca 0.24 -3.31 -0.22 0.00 -2.27 0.00 0.00 64.05 58.49 1a74 n THR 60 Cb 0.79 0.58 -0.16 0.00 -2.10 0.00 0.00 70.33 69.44 1a74 n THR 60 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1a74 s ARG 61 N -3.61 1.24 0.11 -0.78 1.81 -0.64 -4.97 118.95 112.10 1a74 s ARG 61 Ca 0.33 -0.39 0.01 0.00 -1.72 0.00 0.00 55.73 53.96 1a74 s ARG 61 Cb 0.37 -1.12 -0.04 0.00 -0.45 0.00 0.00 34.95 33.71 1a74 s ARG 61 CO -0.02 0.13 -0.05 -1.58 -0.68 0.00 0.00 175.30 173.11 1a74 s TRP 62 N 0.22 0.91 0.07 -0.53 0.51 -1.26 -1.61 118.94 117.25 1a74 s TRP 62 Ca -0.05 -0.95 0.04 0.00 -2.12 0.00 0.00 56.10 53.01 1a74 s TRP 62 Cb -0.10 -0.53 -0.03 0.00 -0.81 0.00 0.00 33.47 32.00 1a74 s TRP 62 CO 0.01 -0.19 -0.11 -0.65 -0.51 0.00 0.00 176.95 175.50 1a74 s GLN 63 N -3.86 0.72 -0.10 4.98 -0.21 -0.22 -0.19 119.66 120.77 1a74 s GLN 63 Ca 0.14 -0.93 0.01 0.00 0.02 0.00 0.00 55.36 54.60 1a74 s GLN 63 Cb 0.06 -0.55 -0.02 0.00 1.00 0.00 0.00 33.01 33.50 1a74 s GLN 63 CO -0.04 0.11 -0.14 -0.47 -2.12 0.00 0.00 175.29 172.63 1a74 s TYR 64 N -1.61 2.76 -0.02 0.91 5.04 0.94 -2.06 117.35 123.31 1a74 s TYR 64 Ca -0.03 -0.52 0.03 0.00 -2.44 0.00 0.00 57.07 54.11 1a74 s TYR 64 Cb -0.08 -1.77 -0.00 0.00 0.35 0.00 0.00 41.96 40.46 1a74 s TYR 64 CO 0.01 -0.10 -0.11 0.21 -1.34 0.00 0.00 175.55 174.22 1a74 s LYS 65 N 0.02 1.09 -0.00 4.97 2.20 0.41 -0.84 119.74 127.59 1a74 s LYS 65 Ca -0.05 -0.39 -0.01 0.00 -0.36 0.00 0.00 55.97 55.17 1a74 s LYS 65 Cb -0.14 -1.01 -0.00 0.00 -1.51 0.00 0.00 37.83 35.16 1a74 s LYS 65 CO 0.04 0.17 0.02 1.03 -0.36 0.00 0.00 175.35 176.26 1a74 s ARG 66 N 0.03 0.13 -0.33 4.03 1.81 -0.55 -4.58 118.95 119.49 1a74 s ARG 66 Ca -0.01 -0.15 -0.06 0.00 -1.72 0.00 0.00 55.73 53.79 1a74 s ARG 66 Cb -0.08 0.05 0.04 0.00 -0.45 0.00 0.00 34.95 34.51 1a74 s ARG 66 CO 0.00 -0.02 0.09 0.99 -0.68 0.00 0.00 175.30 175.68 1a74 s THR 67 N -0.44 3.71 0.00 0.02 2.01 -1.26 -0.87 115.64 118.82 1a74 s THR 67 Ca -0.05 -1.13 0.00 0.00 0.31 0.00 0.00 61.69 60.82 1a74 s THR 67 Cb -0.03 -3.09 0.00 0.00 0.01 0.00 0.00 72.50 69.39 1a74 s THR 67 CO -0.00 -0.16 0.00 -0.38 -0.69 0.00 0.00 174.62 173.39 1a74 n ILE 68 N 4.80 0.00 -3.09 1.82 -0.00 -1.12 -4.68 119.36 117.09 1a74 n ILE 68 Ca -0.13 0.38 -0.26 0.00 -0.00 0.00 0.00 62.75 62.75 1a74 n ILE 68 Cb 0.45 -1.16 -0.05 0.00 -0.00 0.00 0.00 39.64 38.88 1a74 n ILE 68 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 1a74 n ASN 69 N -1.66 3.60 0.00 4.38 3.02 -1.26 -4.85 115.26 118.49 1a74 n ASN 69 Ca 0.00 -3.49 0.00 0.00 -0.03 0.00 0.00 54.58 51.06 1a74 n ASN 69 Cb 0.00 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.57 1a74 n ASN 69 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a74 n GLN 70 N 0.15 0.00 -4.28 3.52 6.02 -1.26 -4.99 117.38 116.54 1a74 n GLN 70 Ca 0.29 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.94 1a74 n GLN 70 Cb 0.44 -1.61 -0.11 0.00 1.02 0.00 0.00 30.24 29.98 1a74 n GLN 70 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1a74 s VAL 71 N -2.72 4.23 0.18 5.09 0.11 -1.26 -5.09 120.40 120.94 1a74 s VAL 71 Ca 0.00 -0.24 -0.30 0.00 -2.93 0.00 0.00 61.98 58.51 1a74 s VAL 71 Cb 0.00 -2.86 -0.07 0.00 -1.53 0.00 0.00 36.38 31.92 1a74 s VAL 71 CO 0.00 0.50 1.04 -0.69 -3.33 0.00 0.00 175.10 172.62 1a74 s VAL 72 N 0.17 4.03 -0.04 2.04 1.01 -1.26 -2.78 120.40 123.57 1a74 s VAL 72 Ca 0.01 1.80 0.05 0.00 0.00 0.00 0.00 61.98 63.83 1a74 s VAL 72 Cb -0.13 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 1a74 s VAL 72 CO 0.02 0.33 -0.19 -1.00 0.00 0.00 0.00 175.10 174.26 1a74 s HIS 73 N -0.40 1.84 -0.03 5.22 3.76 -0.05 -5.00 115.29 120.64 1a74 s HIS 73 Ca 0.47 -0.51 0.02 0.00 -0.15 0.00 0.00 55.06 54.89 1a74 s HIS 73 Cb -0.27 -1.23 0.01 0.00 1.11 0.00 0.00 32.58 32.20 1a74 s HIS 73 CO 0.34 -0.16 -0.07 0.50 -0.85 0.00 0.00 174.74 174.49 1a74 s ARG 74 N -0.05 0.85 0.09 1.40 3.52 -1.26 -1.48 118.95 122.01 1a74 s ARG 74 Ca -0.03 -0.24 0.03 0.00 -0.13 0.00 0.00 55.73 55.36 1a74 s ARG 74 Cb -0.11 -0.81 -0.04 0.00 -1.56 0.00 0.00 34.95 32.43 1a74 s ARG 74 CO 0.02 0.07 -0.09 -1.58 -0.81 0.00 0.00 175.30 172.91 1a74 s TRP 75 N 0.30 0.99 0.52 5.12 0.51 -0.02 -4.97 118.94 121.39 1a74 s TRP 75 Ca -0.04 -0.67 -0.22 0.00 -2.12 0.00 0.00 56.10 53.05 1a74 s TRP 75 Cb -0.09 -0.55 -0.05 0.00 -0.81 0.00 0.00 33.47 31.97 1a74 s TRP 75 CO 0.00 -0.03 1.32 0.20 -0.51 0.00 0.00 176.95 177.93 1a74 s GLY 76 N -2.41 2.87 0.26 0.98 0.00 -1.26 -0.04 107.32 107.71 1a74 s GLY 76 Ca 0.04 1.26 -0.04 0.00 0.00 0.00 0.00 44.72 45.98 1a74 s GLY 76 CO -0.01 1.77 1.64 0.23 0.00 0.00 0.00 173.10 176.73 1a74 h SER 77 N 1.61 -0.24 -0.03 1.64 0.87 -0.86 -2.35 113.55 114.19 1a74 h SER 77 Ca -0.51 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 1a74 h SER 77 Cb 1.29 0.32 0.00 0.00 -0.44 0.00 0.00 62.40 63.57 1a74 h SER 77 CO 0.58 -0.17 0.00 1.41 -0.53 0.00 0.00 176.83 178.12 1a74 n HIS 78 N -5.31 0.02 0.49 2.24 8.25 -1.26 -4.26 115.22 115.39 1a74 n HIS 78 Ca 0.16 -0.01 0.12 0.00 -0.26 0.00 0.00 57.72 57.73 1a74 n HIS 78 Cb 0.54 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.79 1a74 n HIS 78 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1a74 h THR 79 N 3.04 0.00 -0.88 1.59 1.35 -1.78 -3.40 112.91 112.83 1a74 h THR 79 Ca 0.00 -0.59 0.14 0.00 -0.55 0.00 0.00 66.41 65.42 1a74 h THR 79 Cb 0.65 1.16 -0.09 0.00 -1.73 0.00 0.00 68.15 68.13 1a74 h THR 79 CO 0.00 0.00 0.49 0.58 -0.25 0.00 0.00 175.52 176.34 1a74 h VAL 80 N 0.00 0.77 0.00 6.82 2.07 -1.74 -1.86 116.25 122.32 1a74 h VAL 80 Ca 0.00 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1a74 h VAL 80 Cb 0.79 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1a74 h VAL 80 CO 0.00 0.13 0.00 -0.65 0.02 0.00 0.00 177.57 177.07 1a74 h PRO 81 N 0.71 0.00 -0.33 1.57 0.11 -1.91 -2.85 132.00 129.31 1a74 h PRO 81 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 1a74 h PRO 81 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.74 1a74 h PRO 81 CO -0.34 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.64 1a74 n PHE 82 N -2.66 1.08 0.32 0.65 3.72 -0.70 -4.62 117.46 115.26 1a74 n PHE 82 Ca -0.00 -0.81 0.21 0.00 -0.05 0.00 0.00 57.45 56.80 1a74 n PHE 82 Cb 0.16 -0.31 1.08 0.00 -0.94 0.00 0.00 39.48 39.47 1a74 n PHE 82 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1a74 h LEU 83 N 2.23 0.00 -2.93 4.37 4.07 -1.50 -2.11 115.31 119.44 1a74 h LEU 83 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1a74 h LEU 83 Cb 1.46 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.20 1a74 h LEU 83 CO 0.24 0.00 0.00 0.18 -1.08 0.00 0.00 178.44 177.78 1a74 n LEU 84 N -3.12 3.82 -4.70 1.67 4.32 -1.26 -4.98 117.00 112.75 1a74 n LEU 84 Ca -0.02 -2.19 -0.23 0.00 -0.02 0.00 0.00 56.01 53.55 1a74 n LEU 84 Cb 0.13 -0.43 -0.07 0.00 -1.62 0.00 0.00 43.42 41.43 1a74 n LEU 84 CO 0.22 0.84 -0.25 -1.61 -1.22 0.00 0.00 177.39 175.37 1a74 s GLU 85 N -1.35 2.35 0.48 3.23 0.41 -0.79 -5.09 118.70 117.94 1a74 s GLU 85 Ca 0.41 -1.50 -0.23 0.00 -0.41 0.00 0.00 54.97 53.24 1a74 s GLU 85 Cb 0.24 -2.17 -0.08 0.00 -1.78 0.00 0.00 34.13 30.34 1a74 s GLU 85 CO 0.23 0.21 1.21 -2.30 -0.49 0.00 0.00 175.26 174.13 1a74 n PRO 86 N -1.05 1.63 -0.10 0.39 -0.02 -1.26 -4.90 135.00 129.69 1a74 n PRO 86 Ca -0.04 0.59 0.12 0.00 -2.02 0.00 0.00 63.50 62.15 1a74 n PRO 86 Cb 0.60 -2.35 0.23 0.00 -0.02 0.00 0.00 33.50 31.96 1a74 n PRO 86 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1a74 n ASP 87 N -0.21 2.89 -3.74 2.55 5.75 -1.26 -4.90 116.55 117.63 1a74 n ASP 87 Ca 0.09 -1.91 -0.10 0.00 -0.01 0.00 0.00 54.79 52.86 1a74 n ASP 87 Cb 0.42 -0.13 -0.06 0.00 -1.03 0.00 0.00 41.12 40.32 1a74 n ASP 87 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1a74 s ASN 88 N -1.70 -0.06 -0.18 -1.12 4.22 -1.26 -0.70 114.94 114.13 1a74 s ASN 88 Ca 0.34 -0.47 -0.15 0.00 -2.14 0.00 0.00 52.86 50.44 1a74 s ASN 88 Cb 0.21 0.41 0.05 0.00 1.28 0.00 0.00 41.25 43.20 1a74 s ASN 88 CO 0.31 -0.79 0.48 -0.51 -2.04 0.00 0.00 177.10 174.55 1a74 s ILE 89 N -3.79 -0.00 -1.23 0.54 1.10 0.42 -4.88 121.20 113.36 1a74 s ILE 89 Ca 0.04 0.02 -0.07 0.00 -0.51 0.00 0.00 60.65 60.13 1a74 s ILE 89 Cb 0.03 -0.67 0.05 0.00 0.15 0.00 0.00 42.46 42.02 1a74 s ILE 89 CO -0.11 0.01 0.38 0.59 -2.11 0.00 0.00 174.94 173.69 1a74 n ASN 90 N 3.15 -3.88 -0.18 4.50 5.03 -1.26 0.24 115.26 122.86 1a74 n ASN 90 Ca -0.15 -0.23 -0.02 0.00 0.87 0.00 0.00 54.58 55.04 1a74 n ASN 90 Cb 0.57 -3.22 -0.01 0.00 -1.02 0.00 0.00 39.78 36.09 1a74 n ASN 90 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1a74 n GLY 91 N -1.11 0.56 3.33 7.41 0.00 -1.26 -5.02 105.19 109.10 1a74 n GLY 91 Ca -0.05 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.24 1a74 n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a74 s LYS 92 N -1.40 2.05 0.25 1.61 1.02 0.14 -5.11 119.74 118.30 1a74 s LYS 92 Ca 0.00 -0.96 -0.30 0.00 0.02 0.00 0.00 55.97 54.73 1a74 s LYS 92 Cb 0.00 -2.04 -0.10 0.00 -0.52 0.00 0.00 37.83 35.17 1a74 s LYS 92 CO 0.00 0.55 1.34 0.99 -0.92 0.00 0.00 175.35 177.31 1a74 s THR 93 N -0.67 2.92 0.19 2.17 2.01 -1.26 -0.43 115.64 120.56 1a74 s THR 93 Ca 0.11 0.81 -0.29 0.00 0.31 0.00 0.00 61.69 62.63 1a74 s THR 93 Cb -0.10 -3.52 -0.08 0.00 0.01 0.00 0.00 72.50 68.81 1a74 s THR 93 CO -0.00 0.15 0.90 0.00 -0.69 0.00 0.00 174.62 174.98 1a74 s THR 95 N -0.88 1.26 -0.35 0.00 -4.23 0.36 -4.86 115.64 106.94 1a74 s THR 95 Ca 0.41 -1.67 -0.29 0.00 -1.18 0.00 0.00 61.69 58.96 1a74 s THR 95 Cb -0.25 -1.47 0.01 0.00 1.34 0.00 0.00 72.50 72.14 1a74 s THR 95 CO 0.30 -0.42 1.22 0.00 -0.54 0.00 0.00 174.62 175.18 1a74 s ALA 96 N -2.11 3.33 -0.29 3.99 0.00 -1.26 -2.01 121.76 123.42 1a74 s ALA 96 Ca 0.07 -0.07 -0.09 0.00 0.00 0.00 0.00 51.96 51.88 1a74 s ALA 96 Cb -0.05 -3.78 -0.02 0.00 0.00 0.00 0.00 23.12 19.27 1a74 s ALA 96 CO 0.02 -1.83 0.14 0.45 0.00 0.00 0.00 175.76 174.54 1a74 s SER 97 N 2.52 5.51 -0.41 0.00 0.15 0.24 -4.94 113.70 116.76 1a74 s SER 97 Ca 0.52 -0.35 -0.29 0.00 0.70 0.00 0.00 55.95 56.53 1a74 s SER 97 Cb -0.13 -2.00 0.01 0.00 -1.71 0.00 0.00 66.02 62.19 1a74 s SER 97 CO 0.23 -0.13 1.34 -1.00 1.20 0.00 0.00 173.24 174.89 1a74 s HIS 98 N 1.64 2.52 0.27 3.44 3.76 -1.26 -1.44 115.29 124.22 1a74 s HIS 98 Ca 0.06 0.70 0.22 0.00 -0.15 0.00 0.00 55.06 55.89 1a74 s HIS 98 Cb -0.16 -4.29 1.00 0.00 1.11 0.00 0.00 32.58 30.23 1a74 s HIS 98 CO 0.06 -1.80 1.88 -0.07 -0.85 0.00 0.00 174.74 173.96 1a74 h LEU 99 N 11.86 0.00 0.00 0.89 4.07 0.40 -2.59 115.31 129.93 1a74 h LEU 99 Ca -0.26 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.70 1a74 h LEU 99 Cb 1.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.83 1a74 h LEU 99 CO 1.09 0.26 -0.57 0.00 -1.08 0.00 0.00 178.44 178.14 1a74 n HIS 101 N -2.07 -0.75 -4.05 0.00 8.25 -0.98 -4.99 115.22 110.64 1a74 n HIS 101 Ca 0.04 0.01 -0.32 0.00 -0.26 0.00 0.00 57.72 57.19 1a74 n HIS 101 Cb 0.43 -3.20 -0.15 0.00 1.12 0.00 0.00 29.99 28.19 1a74 n HIS 101 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1a74 s ASN 102 N -2.32 4.57 0.22 0.41 3.84 -1.26 -5.01 114.94 115.38 1a74 s ASN 102 Ca 0.01 -1.70 -0.08 0.00 0.21 0.00 0.00 52.86 51.30 1a74 s ASN 102 Cb -0.00 -1.57 0.29 0.00 -0.55 0.00 0.00 41.25 39.41 1a74 s ASN 102 CO 0.01 -0.27 1.81 0.74 -2.79 0.00 0.00 177.10 176.60 1a74 h THR 103 N 6.70 0.95 0.00 -5.21 2.02 -1.97 -2.18 112.91 113.22 1a74 h THR 103 Ca -0.13 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1a74 h THR 103 Cb 1.03 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1a74 h THR 103 CO 0.48 0.13 0.00 0.03 0.37 0.00 0.00 175.52 176.54 1a74 h ARG 104 N 0.73 0.00 -6.66 6.66 3.08 -1.93 -3.44 114.38 112.82 1a74 h ARG 104 Ca 0.33 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.86 1a74 h ARG 104 Cb 0.24 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.31 1a74 h ARG 104 CO -0.21 0.00 0.54 0.00 -1.07 0.00 0.00 179.97 179.23 1a74 n HIS 106 N 2.51 0.00 -1.78 0.00 8.25 0.52 -4.95 115.22 119.77 1a74 n HIS 106 Ca 0.04 -0.58 -0.42 0.00 -0.26 0.00 0.00 57.72 56.50 1a74 n HIS 106 Cb 0.45 -0.07 -0.03 0.00 1.12 0.00 0.00 29.99 31.46 1a74 n HIS 106 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 1a74 s ASN 107 N -1.41 6.36 0.41 0.41 3.84 -1.25 -4.84 114.94 118.46 1a74 s ASN 107 Ca 0.08 2.37 0.29 0.00 0.21 0.00 0.00 52.86 55.82 1a74 s ASN 107 Cb 0.07 -2.53 1.31 0.00 -0.55 0.00 0.00 41.25 39.55 1a74 s ASN 107 CO 0.01 -1.17 1.87 1.55 -2.79 0.00 0.00 177.10 176.58 1a74 h PRO 108 N 10.98 0.00 0.00 0.43 0.13 -1.95 -0.67 132.00 140.92 1a74 h PRO 108 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1a74 h PRO 108 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1a74 h PRO 108 CO 0.95 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 180.00 1a74 n LEU 109 N -2.63 0.00 -0.34 1.56 4.77 -1.26 -2.85 117.00 116.25 1a74 n LEU 109 Ca 0.01 0.07 0.03 0.00 -0.03 0.00 0.00 56.01 56.08 1a74 n LEU 109 Cb 0.21 -0.07 0.08 0.00 -2.33 0.00 0.00 43.42 41.31 1a74 n LEU 109 CO 0.21 -0.00 0.56 1.41 -1.33 0.00 0.00 177.39 178.24 1a74 n HIS 110 N -1.07 0.24 -4.20 -1.77 8.25 -0.26 -5.00 115.22 111.41 1a74 n HIS 110 Ca 0.21 -0.48 -0.19 0.00 -0.26 0.00 0.00 57.72 57.00 1a74 n HIS 110 Cb 0.13 -0.04 -0.12 0.00 1.12 0.00 0.00 29.99 31.09 1a74 n HIS 110 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1a74 s LEU 111 N -0.98 2.32 0.20 2.41 1.43 -1.13 0.11 118.68 123.04 1a74 s LEU 111 Ca 0.12 -0.69 0.01 0.00 -1.03 0.00 0.00 54.13 52.54 1a74 s LEU 111 Cb 0.06 -0.55 -0.05 0.00 0.03 0.00 0.00 46.19 45.69 1a74 s LEU 111 CO 0.08 -0.09 0.07 0.00 0.23 0.00 0.00 176.35 176.64 1a74 s TRP 113 N -3.84 3.30 0.34 0.00 -0.00 -1.26 -0.59 118.94 116.88 1a74 s TRP 113 Ca 0.31 -1.91 -0.11 0.00 -0.00 0.00 0.00 56.10 54.39 1a74 s TRP 113 Cb 0.07 -2.23 0.02 0.00 -0.00 0.00 0.00 33.47 31.33 1a74 s TRP 113 CO 0.08 -0.82 0.62 -1.83 -0.00 0.00 0.00 176.95 175.00 1a74 s GLU 114 N 1.25 1.97 0.84 5.86 -1.05 -0.85 -4.85 118.70 121.87 1a74 s GLU 114 Ca -0.04 -1.50 -0.11 0.00 -0.15 0.00 0.00 54.97 53.18 1a74 s GLU 114 Cb -0.20 0.53 0.10 0.00 -0.44 0.00 0.00 34.13 34.12 1a74 s GLU 114 CO -0.01 -0.87 1.11 -1.54 0.95 0.00 0.00 175.26 174.89 1a74 s SER 115 N -3.11 3.83 0.28 0.83 1.04 -1.26 0.14 113.70 115.44 1a74 s SER 115 Ca 0.22 1.89 -0.03 0.00 0.48 0.00 0.00 55.95 58.51 1a74 s SER 115 Cb -0.03 -2.49 0.38 0.00 0.10 0.00 0.00 66.02 63.98 1a74 s SER 115 CO 0.14 -2.48 1.95 0.25 0.98 0.00 0.00 173.24 174.08 1a74 h LEU 116 N -1.44 1.03 0.02 2.42 6.46 -1.93 0.32 115.31 122.19 1a74 h LEU 116 Ca -0.44 -0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.29 1a74 h LEU 116 Cb 1.25 -0.25 0.00 0.00 -0.73 0.00 0.00 40.66 40.93 1a74 h LEU 116 CO 0.49 0.74 -0.01 0.44 -0.62 0.00 0.00 178.44 179.47 1a74 h ASP 117 N 1.21 -0.03 -0.51 1.25 3.32 -1.95 0.16 116.42 119.87 1a74 h ASP 117 Ca 0.34 -0.15 0.02 0.00 0.02 0.00 0.00 57.03 57.26 1a74 h ASP 117 Cb -0.11 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1a74 h ASP 117 CO -0.08 0.13 0.31 0.44 -1.72 0.00 0.00 179.24 178.33 1a74 h ASP 118 N -0.18 0.52 0.25 6.45 3.32 -1.86 -1.26 116.42 123.65 1a74 h ASP 118 Ca -0.00 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.05 1a74 h ASP 118 Cb 0.17 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 1a74 h ASP 118 CO 0.01 0.37 -0.42 -1.13 -1.72 0.00 0.00 179.24 176.34 1a74 h ASN 119 N 0.63 -1.21 -0.54 6.45 -0.73 -0.66 -3.02 115.58 116.50 1a74 h ASN 119 Ca 0.20 0.12 0.03 0.00 1.87 0.00 0.00 56.30 58.52 1a74 h ASN 119 Cb -0.00 0.43 -0.04 0.00 0.27 0.00 0.00 38.32 38.98 1a74 h ASN 119 CO -0.08 -0.53 0.31 0.11 -0.37 0.00 0.00 177.43 176.88 1a74 h LYS 120 N -0.75 0.60 -0.55 6.67 1.57 -0.48 -2.98 116.57 120.66 1a74 h LYS 120 Ca -0.01 -0.04 0.16 0.00 -1.87 0.00 0.00 60.65 58.90 1a74 h LYS 120 Cb 0.72 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1a74 h LYS 120 CO -0.17 0.40 0.46 0.78 -0.57 0.00 0.00 179.45 180.35 1a74 h GLY 121 N 0.62 0.00 2.00 3.86 0.00 -1.11 -0.58 103.07 107.86 1a74 h GLY 121 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1a74 h GLY 121 CO -0.11 0.00 0.00 3.21 0.00 0.00 0.00 176.54 179.64 1a74 h ARG 122 N 0.00 0.00 0.00 4.80 3.08 -1.50 -1.36 114.38 119.41 1a74 h ARG 122 Ca 0.26 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.29 1a74 h ARG 122 Cb 1.18 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.23 1a74 h ARG 122 CO -0.00 0.00 -0.11 -0.91 -1.07 0.00 0.00 179.97 177.88 1a74 h ASN 123 N 0.00 0.00 -0.21 7.04 2.35 -1.30 -2.81 115.58 120.65 1a74 h ASN 123 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1a74 h ASN 123 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 1a74 h ASN 123 CO 0.00 0.11 0.00 0.79 -1.65 0.00 0.00 177.43 176.68 1a74 n TRP 124 N -3.63 0.28 -2.26 1.19 8.01 -0.51 -0.73 117.44 119.79 1a74 n TRP 124 Ca -0.02 -0.32 -0.38 0.00 -1.31 0.00 0.00 57.50 55.48 1a74 n TRP 124 Cb 0.23 -0.02 -0.02 0.00 -2.01 0.00 0.00 31.31 29.50 1a74 n TRP 124 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1a74 h PRO 126 N 2.46 0.00 0.00 0.00 0.11 -1.85 -3.23 132.00 129.48 1a74 h PRO 126 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1a74 h PRO 126 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1a74 h PRO 126 CO 0.62 0.07 0.00 0.41 -0.21 0.00 0.00 178.00 178.89 1a74 n GLY 127 N -0.39 2.22 0.32 -0.55 0.00 -1.21 -3.76 105.19 101.83 1a74 n GLY 127 Ca -0.01 -2.03 0.21 0.00 0.00 0.00 0.00 46.02 44.18 1a74 n GLY 127 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a74 h PRO 128 N 0.00 0.00 -0.24 1.61 0.13 -1.64 -0.17 132.00 131.69 1a74 h PRO 128 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1a74 h PRO 128 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1a74 h PRO 128 CO 0.00 0.01 0.00 0.09 -0.23 0.00 0.00 178.00 177.87 1a74 n ASN 129 N -3.20 2.61 -0.00 1.44 3.02 0.17 -4.59 115.26 114.72 1a74 n ASN 129 Ca -0.02 -1.94 0.00 0.00 -0.03 0.00 0.00 54.58 52.58 1a74 n ASN 129 Cb 0.12 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 1a74 n ASN 129 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a74 n GLY 130 N 0.29 1.69 0.00 7.41 0.00 -0.75 -3.15 105.19 110.67 1a74 n GLY 130 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1a74 n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a74 n GLY 131 N -0.39 1.37 3.61 -0.02 0.00 -1.15 -4.71 105.19 103.91 1a74 n GLY 131 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.54 1a74 n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a74 n VAL 133 N 2.21 1.02 -2.04 0.00 0.24 -1.26 -4.94 118.33 113.56 1a74 n VAL 133 Ca 0.16 -1.02 -0.42 0.00 -2.04 0.00 0.00 64.34 61.02 1a74 n VAL 133 Cb 0.25 0.49 -0.03 0.00 -1.47 0.00 0.00 33.84 33.08 1a74 n VAL 133 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1a74 s HIS 134 N -1.03 3.02 0.19 6.34 3.76 -1.26 -4.91 115.29 121.40 1a74 s HIS 134 Ca 0.10 0.71 -0.11 0.00 -0.15 0.00 0.00 55.06 55.60 1a74 s HIS 134 Cb 0.05 -3.83 0.21 0.00 1.11 0.00 0.00 32.58 30.13 1a74 s HIS 134 CO 0.06 -3.05 1.75 0.00 -0.85 0.00 0.00 174.74 172.65 1a74 h ALA 135 N 7.09 0.69 -2.15 -1.40 0.00 -2.05 -2.84 119.26 118.61 1a74 h ALA 135 Ca -0.42 0.07 -0.72 0.00 0.00 0.00 0.00 54.91 53.84 1a74 h ALA 135 Cb 1.20 0.03 -0.21 0.00 0.00 0.00 0.00 17.79 18.82 1a74 h ALA 135 CO 0.90 -0.19 0.32 0.08 0.00 0.00 0.00 179.25 180.36 1a74 s VAL 136 N -6.11 5.00 0.52 0.00 1.01 -1.26 -5.01 120.40 114.54 1a74 s VAL 136 Ca -0.13 -1.55 -0.20 0.00 0.00 0.00 0.00 61.98 60.10 1a74 s VAL 136 Cb 0.16 -4.57 -0.09 0.00 0.00 0.00 0.00 36.38 31.88 1a74 s VAL 136 CO 0.74 -1.21 0.76 0.55 0.00 0.00 0.00 175.10 175.93 1a74 n VAL 137 N 5.12 2.60 -2.40 2.92 3.14 -1.07 -4.99 118.33 123.64 1a74 n VAL 137 Ca 0.06 -0.50 -0.34 0.00 -2.96 0.00 0.00 64.34 60.60 1a74 n VAL 137 Cb 0.46 -0.90 -0.02 0.00 -1.06 0.00 0.00 33.84 32.32 1a74 n VAL 137 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1a74 h LEU 139 N 1.30 0.00 -8.29 0.00 3.38 -1.95 -3.36 115.31 106.39 1a74 h LEU 139 Ca -0.49 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.36 1a74 h LEU 139 Cb 1.23 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.90 1a74 h LEU 139 CO 0.58 0.40 -0.08 0.00 0.09 0.00 0.00 178.44 179.43 1a74 s ARG 140 N -3.06 1.76 0.00 1.13 1.04 -1.26 -4.81 118.95 113.75 1a74 s ARG 140 Ca -0.01 -1.43 0.00 0.00 -1.04 0.00 0.00 55.73 53.25 1a74 s ARG 140 Cb 0.09 0.49 0.00 0.00 -2.04 0.00 0.00 34.95 33.48 1a74 s ARG 140 CO 0.80 -0.75 0.33 0.94 -0.04 0.00 0.00 175.30 176.57 1a74 n GLN 141 N -0.46 0.00 0.00 3.89 7.27 0.95 -4.34 117.38 124.69 1a74 n GLN 141 Ca -0.02 0.21 0.00 0.00 0.07 0.00 0.00 57.00 57.26 1a74 n GLN 141 Cb 0.61 -0.83 0.00 0.00 2.41 0.00 0.00 30.24 32.44 1a74 n GLN 141 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1a74 n GLY 142 N -0.54 3.02 0.33 1.69 0.00 -1.22 -3.36 105.19 105.12 1a74 n GLY 142 Ca 0.00 -0.05 0.17 0.00 0.00 0.00 0.00 46.02 46.14 1a74 n GLY 142 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1a74 h PRO 143 N 0.00 0.00 -0.01 1.61 0.11 -1.83 -2.36 132.00 129.53 1a74 h PRO 143 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1a74 h PRO 143 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1a74 h PRO 143 CO 0.00 0.00 -0.47 1.28 -0.21 0.00 0.00 178.00 178.60 1a74 n LEU 144 N -3.92 1.57 -4.77 2.35 4.32 0.09 -4.95 117.00 111.69 1a74 n LEU 144 Ca 0.02 -0.55 -0.40 0.00 -0.02 0.00 0.00 56.01 55.05 1a74 n LEU 144 Cb 0.33 -0.05 0.00 0.00 -1.62 0.00 0.00 43.42 42.09 1a74 n LEU 144 CO 0.29 0.30 1.09 -0.47 -1.22 0.00 0.00 177.39 177.38 1a74 s TYR 145 N -2.56 2.59 -5.00 -1.77 5.04 -0.89 -4.83 117.35 109.92 1a74 s TYR 145 Ca 0.19 1.24 0.00 0.00 -2.44 0.00 0.00 57.07 56.06 1a74 s TYR 145 Cb 0.18 -3.94 0.00 0.00 0.35 0.00 0.00 41.96 38.56 1a74 s TYR 145 CO 0.59 -2.83 0.00 0.41 -1.34 0.00 0.00 175.55 172.38 1a74 n GLY 146 N 0.54 -0.76 0.29 8.97 0.00 -1.26 -4.92 105.19 108.06 1a74 n GLY 146 Ca 0.03 -1.64 0.18 0.00 0.00 0.00 0.00 46.02 44.58 1a74 n GLY 146 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1a74 h PRO 147 N 3.30 0.00 0.00 1.61 0.11 -2.04 -3.49 132.00 131.50 1a74 h PRO 147 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1a74 h PRO 147 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1a74 h PRO 147 CO 0.00 0.04 0.00 0.41 -0.21 0.00 0.00 178.00 178.24 1a74 n GLY 148 N -0.41 -2.70 2.26 -0.55 0.00 -1.26 -4.77 105.19 97.76 1a74 n GLY 148 Ca -0.01 -1.66 -0.23 0.00 0.00 0.00 0.00 46.02 44.12 1a74 n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a74 n ALA 149 N -0.58 2.67 -2.41 4.61 0.00 -1.26 -5.10 120.51 118.45 1a74 n ALA 149 Ca 0.00 -3.66 -0.42 0.00 0.00 0.00 0.00 53.44 49.36 1a74 n ALA 149 Cb 0.00 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 1a74 n ALA 149 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1a74 s THR 150 N -1.85 4.16 0.01 0.00 2.01 -1.26 -4.95 115.64 113.76 1a74 s THR 150 Ca 0.38 1.60 -0.18 0.00 0.31 0.00 0.00 61.69 63.80 1a74 s THR 150 Cb 0.22 -4.03 -0.30 0.00 0.01 0.00 0.00 72.50 68.40 1a74 s THR 150 CO -0.09 0.15 1.02 0.58 -0.69 0.00 0.00 174.62 175.60 1a74 h VAL 151 N 4.41 1.37 -3.26 3.82 2.07 -2.03 -3.46 116.25 119.16 1a74 h VAL 151 Ca -0.42 -2.47 -0.20 0.00 0.82 0.00 0.00 66.70 64.44 1a74 h VAL 151 Cb 1.21 2.89 -0.28 0.00 -1.52 0.00 0.00 31.29 33.60 1a74 h VAL 151 CO 0.78 0.73 -0.52 0.00 0.02 0.00 0.00 177.57 178.58 1a74 s ALA 152 N -2.79 -0.42 0.36 1.67 0.00 -1.26 -5.17 121.76 114.15 1a74 s ALA 152 Ca -0.11 0.59 0.04 0.00 0.00 0.00 0.00 51.96 52.48 1a74 s ALA 152 Cb 0.04 -0.36 0.06 0.00 0.00 0.00 0.00 23.12 22.85 1a74 s ALA 152 CO 0.89 -0.11 0.44 0.41 0.00 0.00 0.00 175.76 177.39 1a74 n GLY 153 N 3.34 1.66 3.68 0.00 0.00 -1.26 -5.02 105.19 107.58 1a74 n GLY 153 Ca -0.16 -2.14 -0.45 0.00 0.00 0.00 0.00 46.02 43.27 1a74 n GLY 153 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1a74 n PRO 154 N -1.72 2.15 -3.52 1.61 -0.02 -1.26 -4.97 135.00 127.27 1a74 n PRO 154 Ca 0.08 0.77 -0.15 0.00 -2.02 0.00 0.00 63.50 62.18 1a74 n PRO 154 Cb 0.31 -2.50 -0.05 0.00 -0.02 0.00 0.00 33.50 31.24 1a74 n PRO 154 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1a74 s GLN 155 N 0.30 0.98 0.01 -0.52 -2.07 -1.26 -5.18 119.66 111.93 1a74 s GLN 155 Ca 0.74 0.11 -0.00 0.00 -1.82 0.00 0.00 55.36 54.38 1a74 s GLN 155 Cb -0.65 0.46 -0.01 0.00 -1.09 0.00 0.00 33.01 31.72 1a74 s GLN 155 CO 0.43 -0.33 -0.01 1.14 -1.32 0.00 0.00 175.29 175.20 1a74 s GLN 156 N -1.61 0.22 0.03 9.60 -2.07 -1.26 -5.05 119.66 119.51 1a74 s GLN 156 Ca -0.07 -0.41 -0.06 0.00 -1.82 0.00 0.00 55.36 53.00 1a74 s GLN 156 Cb -0.00 0.08 -0.30 0.00 -1.09 0.00 0.00 33.01 31.70 1a74 s GLN 156 CO 0.04 -0.04 0.98 0.00 -1.32 0.00 0.00 175.29 174.96 1a74 h ARG 157 N 5.11 0.32 0.00 9.60 3.08 -2.04 -3.47 114.38 126.98 1a74 h ARG 157 Ca -0.29 -0.55 0.00 0.00 0.07 0.00 0.00 59.98 59.21 1a74 h ARG 157 Cb 1.21 0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.46 1a74 h ARG 157 CO 0.44 1.23 0.00 0.41 -1.07 0.00 0.00 179.97 180.98 1a74 n GLY 158 N 1.64 2.19 1.60 0.04 0.00 -1.26 -5.07 105.19 104.33 1a74 n GLY 158 Ca -0.14 -1.05 0.02 0.00 0.00 0.00 0.00 46.02 44.85 1a74 n GLY 158 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a74 n SER 159 N 0.00 0.69 0.18 1.61 3.41 -1.26 -4.86 113.62 113.39 1a74 n SER 159 Ca 0.00 -2.01 0.13 0.00 -0.26 0.00 0.00 58.87 56.74 1a74 n SER 159 Cb 0.00 -0.20 0.40 0.00 -0.26 0.00 0.00 64.21 64.15 1a74 n SER 159 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1a74 h HIS 160 N 1.03 0.00 -1.81 7.33 3.86 -1.99 -3.46 115.15 120.10 1a74 h HIS 160 Ca -0.28 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.33 1a74 h HIS 160 Cb 1.74 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 30.09 1a74 h HIS 160 CO 0.15 0.00 -0.61 -0.06 0.86 0.00 0.00 177.93 178.28 1a74 s PHE 161 N -3.29 2.52 -0.05 2.45 0.08 -1.26 -5.14 117.98 113.29 1a74 s PHE 161 Ca 0.06 -0.53 -0.11 0.00 0.12 0.00 0.00 56.93 56.47 1a74 s PHE 161 Cb 0.09 -1.62 0.02 0.00 -0.57 0.00 0.00 43.02 40.94 1a74 s PHE 161 CO 0.58 0.44 0.27 0.54 -0.10 0.00 0.00 175.22 176.95 1a74 s VAL 162 N -2.60 0.04 -2.00 -0.44 0.11 -1.26 -5.15 120.40 109.10 1a74 s VAL 162 Ca 0.35 -0.30 0.10 0.00 -2.93 0.00 0.00 61.98 59.20 1a74 s VAL 162 Cb 0.04 -0.49 0.29 0.00 -1.53 0.00 0.00 36.38 34.69 1a74 s VAL 162 CO 0.19 -0.17 1.05 0.52 -3.33 0.00 0.00 175.10 173.36