#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mtq s LEU -4 N 0.00 2.64 0.10 1.20 1.43 -1.26 -5.17 118.68 117.62 3mtq s LEU -4 Ca 0.00 -1.37 0.05 0.00 -1.03 0.00 0.00 54.13 51.78 3mtq s LEU -4 Cb 0.00 -1.06 -0.03 0.00 0.03 0.00 0.00 46.19 45.12 3mtq s LEU -4 CO 0.00 -0.88 -0.13 -0.72 0.23 0.00 0.00 176.35 174.85 3mtq s TYR -3 N -2.77 1.24 0.01 0.29 -0.85 -1.26 -5.16 117.35 108.85 3mtq s TYR -3 Ca 0.25 -0.55 0.04 0.00 -0.52 0.00 0.00 57.07 56.29 3mtq s TYR -3 Cb 0.01 -0.67 -0.01 0.00 0.38 0.00 0.00 41.96 41.66 3mtq s TYR -3 CO 0.15 0.08 -0.12 -0.06 -1.52 0.00 0.00 175.55 174.07 3mtq s PHE -2 N -1.95 1.09 -0.64 -3.49 0.40 -1.26 -5.07 117.98 107.06 3mtq s PHE -2 Ca 0.04 -0.25 -0.27 0.00 -0.60 0.00 0.00 56.93 55.86 3mtq s PHE -2 Cb -0.06 -0.68 -0.00 0.00 0.51 0.00 0.00 43.02 42.78 3mtq s PHE -2 CO 0.02 -0.00 1.65 -1.14 0.70 0.00 0.00 175.22 176.44 3mtq s GLN -1 N -0.56 2.87 0.95 0.44 -0.44 -1.26 -4.96 119.66 116.71 3mtq s GLN -1 Ca 0.03 0.37 0.00 0.00 -2.50 0.00 0.00 55.36 53.26 3mtq s GLN -1 Cb -0.06 -4.30 0.00 0.00 -1.64 0.00 0.00 33.01 27.02 3mtq s GLN -1 CO 0.00 -2.47 0.00 0.41 0.50 0.00 0.00 175.29 173.74 3mtq n GLY 0 N 5.56 2.01 3.79 2.59 0.00 -1.26 -4.88 105.19 113.00 3mtq n GLY 0 Ca 0.15 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 3mtq n GLY 0 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mtq s LYS 2 N 0.00 3.97 -0.14 1.61 2.20 -1.26 -5.13 119.74 120.99 3mtq s LYS 2 Ca 0.00 0.07 -0.06 0.00 -0.36 0.00 0.00 55.97 55.62 3mtq s LYS 2 Cb 0.00 -3.32 -0.04 0.00 -1.51 0.00 0.00 37.83 32.96 3mtq s LYS 2 CO 0.00 0.48 0.08 1.03 -0.36 0.00 0.00 175.35 176.57 3mtq s ARG 3 N -0.25 3.59 0.04 4.03 0.52 -1.26 -0.82 118.95 124.80 3mtq s ARG 3 Ca 0.17 -0.28 0.09 0.00 -0.52 0.00 0.00 55.73 55.18 3mtq s ARG 3 Cb -0.13 -3.12 -0.03 0.00 0.52 0.00 0.00 34.95 32.19 3mtq s ARG 3 CO 0.05 0.54 -0.26 -1.01 0.02 0.00 0.00 175.30 174.64 3mtq s HIS 4 N -0.37 2.28 -0.09 -0.53 3.76 -0.22 -4.94 115.29 115.19 3mtq s HIS 4 Ca 0.10 -0.41 0.03 0.00 -0.15 0.00 0.00 55.06 54.62 3mtq s HIS 4 Cb -0.12 -1.37 -0.02 0.00 1.11 0.00 0.00 32.58 32.19 3mtq s HIS 4 CO 0.02 0.12 -0.18 0.71 -0.85 0.00 0.00 174.74 174.56 3mtq s TYR 5 N -0.80 2.66 -0.16 1.40 2.02 0.70 -0.85 117.35 122.31 3mtq s TYR 5 Ca 0.11 -0.57 -0.00 0.00 -0.37 0.00 0.00 57.07 56.24 3mtq s TYR 5 Cb -0.10 -1.71 -0.00 0.00 -0.40 0.00 0.00 41.96 39.75 3mtq s TYR 5 CO 0.02 -0.12 -0.14 0.42 -1.57 0.00 0.00 175.55 174.15 3mtq s ILE 6 N -0.08 2.71 -0.20 2.71 1.01 0.00 0.33 121.20 127.68 3mtq s ILE 6 Ca -0.04 -0.75 -0.15 0.00 0.00 0.00 0.00 60.65 59.71 3mtq s ILE 6 Cb -0.14 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.13 3mtq s ILE 6 CO 0.04 0.51 0.37 -0.36 0.00 0.00 0.00 174.94 175.50 3mtq s PHE 7 N 0.93 3.37 -0.10 3.97 0.08 0.10 -0.59 117.98 125.75 3mtq s PHE 7 Ca -0.03 0.57 0.01 0.00 0.12 0.00 0.00 56.93 57.61 3mtq s PHE 7 Cb -0.15 -2.49 0.02 0.00 -0.57 0.00 0.00 43.02 39.83 3mtq s PHE 7 CO -0.02 0.01 -0.12 0.00 -0.10 0.00 0.00 175.22 174.99 3mtq s ALA 8 N 1.24 1.47 0.07 5.36 0.00 -0.24 -0.11 121.76 129.54 3mtq s ALA 8 Ca 0.18 -0.59 -0.01 0.00 0.00 0.00 0.00 51.96 51.54 3mtq s ALA 8 Cb -0.15 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 3mtq s ALA 8 CO 0.07 -0.11 -0.00 -1.54 0.00 0.00 0.00 175.76 174.18 3mtq s SER 9 N 1.08 0.44 0.14 0.00 1.04 -0.14 -0.88 113.70 115.37 3mtq s SER 9 Ca -0.06 -1.05 -0.30 0.00 0.48 0.00 0.00 55.95 55.02 3mtq s SER 9 Cb -0.15 0.23 -0.08 0.00 0.10 0.00 0.00 66.02 66.13 3mtq s SER 9 CO -0.02 -0.64 1.26 -1.00 0.98 0.00 0.00 173.24 173.82 3mtq s HIS 10 N -3.95 3.36 0.00 5.02 3.76 -1.26 -0.50 115.29 121.71 3mtq s HIS 10 Ca 0.12 1.26 0.00 0.00 -0.15 0.00 0.00 55.06 56.28 3mtq s HIS 10 Cb 0.08 -3.51 0.00 0.00 1.11 0.00 0.00 32.58 30.26 3mtq s HIS 10 CO -0.07 -1.59 0.00 0.41 -0.85 0.00 0.00 174.74 172.64 3mtq n GLY 11 N 2.75 0.14 1.24 -2.22 0.00 0.51 -4.10 105.19 103.50 3mtq n GLY 11 Ca 0.07 -0.97 0.09 0.00 0.00 0.00 0.00 46.02 45.21 3mtq n GLY 11 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mtq n SER 12 N -1.91 3.60 -0.15 1.61 3.41 -1.26 -4.00 113.62 114.93 3mtq n SER 12 Ca 0.00 -2.13 -0.04 0.00 -0.26 0.00 0.00 58.87 56.44 3mtq n SER 12 Cb 0.00 -0.46 0.03 0.00 -0.26 0.00 0.00 64.21 63.52 3mtq n SER 12 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3mtq h PHE 13 N 3.59 -0.24 -0.60 7.33 3.57 -1.93 -1.72 116.94 126.94 3mtq h PHE 13 Ca 0.00 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.60 3mtq h PHE 13 Cb 0.98 0.18 -0.05 0.00 2.79 0.00 0.00 35.95 39.85 3mtq h PHE 13 CO 0.50 -0.20 0.31 0.00 -2.23 0.00 0.00 178.31 176.69 3mtq h ALA 14 N 1.46 0.78 -0.68 2.41 0.00 -1.87 0.94 119.26 122.31 3mtq h ALA 14 Ca 0.22 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 3mtq h ALA 14 Cb 0.34 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3mtq h ALA 14 CO -0.47 -0.04 0.17 -0.91 0.00 0.00 0.00 179.25 178.00 3mtq h ASN 15 N 0.57 1.02 -0.52 0.00 4.21 -1.74 -2.23 115.58 116.90 3mtq h ASN 15 Ca 0.27 -0.23 -0.06 0.00 1.21 0.00 0.00 56.30 57.49 3mtq h ASN 15 Cb 0.19 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 37.10 3mtq h ASN 15 CO -0.19 0.99 0.07 1.23 -1.29 0.00 0.00 177.43 178.24 3mtq h GLY 16 N 1.01 0.94 1.04 2.83 0.00 -0.32 -1.52 103.07 107.04 3mtq h GLY 16 Ca 0.21 -0.64 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 3mtq h GLY 16 CO 0.00 0.59 0.30 -2.00 0.00 0.00 0.00 176.54 175.43 3mtq h LEU 17 N 0.75 1.04 -0.90 3.11 5.85 -0.88 -1.96 115.31 122.32 3mtq h LEU 17 Ca 0.16 -0.17 0.09 0.00 0.84 0.00 0.00 57.88 58.80 3mtq h LEU 17 Cb 0.42 -0.27 -0.07 0.00 0.37 0.00 0.00 40.66 41.11 3mtq h LEU 17 CO 0.01 0.93 0.55 0.25 -0.34 0.00 0.00 178.44 179.84 3mtq h LEU 18 N 1.09 0.81 -0.16 2.25 5.85 -1.05 -1.02 115.31 123.08 3mtq h LEU 18 Ca 0.25 0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.04 3mtq h LEU 18 Cb 0.21 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 3mtq h LEU 18 CO -0.02 0.47 -0.03 -1.13 -0.34 0.00 0.00 178.44 177.39 3mtq h ASN 19 N 0.92 -0.12 -0.39 1.25 -0.00 -0.69 -0.48 115.58 116.06 3mtq h ASN 19 Ca 0.43 0.04 0.08 0.00 -0.00 0.00 0.00 56.30 56.85 3mtq h ASN 19 Cb 0.35 0.09 -0.07 0.00 -0.00 0.00 0.00 38.32 38.69 3mtq h ASN 19 CO -0.23 -0.04 -0.06 0.28 -0.00 0.00 0.00 177.43 177.37 3mtq h SER 20 N 0.01 -0.29 -0.83 1.15 0.02 -0.85 -0.90 113.55 111.86 3mtq h SER 20 Ca 0.08 0.11 0.03 0.00 -0.84 0.00 0.00 61.79 61.16 3mtq h SER 20 Cb 0.11 0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.81 3mtq h SER 20 CO -0.15 -0.10 0.54 0.58 -1.14 0.00 0.00 176.83 176.55 3mtq h VAL 21 N 0.03 1.15 -0.00 2.27 2.07 -0.64 -2.54 116.25 118.60 3mtq h VAL 21 Ca 0.19 -0.36 -0.15 0.00 0.82 0.00 0.00 66.70 67.19 3mtq h VAL 21 Cb 0.28 -0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 3mtq h VAL 21 CO -0.37 0.19 -0.72 -0.33 0.02 0.00 0.00 177.57 176.36 3mtq h GLU 22 N 1.06 0.01 0.00 1.57 5.08 -0.67 0.30 114.58 121.93 3mtq h GLU 22 Ca 0.32 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.65 3mtq h GLU 22 Cb -0.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 3mtq h GLU 22 CO -0.10 0.72 -0.15 -0.07 -1.00 0.00 0.00 179.01 178.41 3mtq h LEU 23 N 0.00 0.00 0.00 1.33 3.38 -0.80 -1.66 115.31 117.56 3mtq h LEU 23 Ca -0.01 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.69 3mtq h LEU 23 Cb 1.27 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.98 3mtq h LEU 23 CO 0.09 0.15 -1.91 -0.38 0.09 0.00 0.00 178.44 176.49 3mtq n ILE 24 N -3.48 1.52 -0.33 1.22 5.41 -0.96 -4.74 119.36 118.00 3mtq n ILE 24 Ca -0.01 -0.17 0.09 0.00 1.00 0.00 0.00 62.75 63.67 3mtq n ILE 24 Cb 0.31 -2.08 0.26 0.00 -0.71 0.00 0.00 39.64 37.43 3mtq n ILE 24 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3mtq n LEU 25 N -4.34 3.63 0.00 1.39 4.77 0.10 -5.09 117.00 117.47 3mtq n LEU 25 Ca -0.38 -2.05 0.00 0.00 -0.03 0.00 0.00 56.01 53.56 3mtq n LEU 25 Cb 0.73 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3mtq n LEU 25 CO 0.11 0.88 0.00 0.61 -1.33 0.00 0.00 177.39 177.65 3mtq n GLY 26 N 1.16 -1.31 3.76 -0.72 0.00 -0.63 -4.91 105.19 102.54 3mtq n GLY 26 Ca 0.20 -1.58 -0.39 0.00 0.00 0.00 0.00 46.02 44.24 3mtq n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mtq s LYS 27 N -1.49 3.48 -0.45 1.61 -0.14 -1.26 -4.19 119.74 117.31 3mtq s LYS 27 Ca 0.00 2.34 0.02 0.00 -1.36 0.00 0.00 55.97 56.97 3mtq s LYS 27 Cb 0.00 -2.50 0.14 0.00 -1.68 0.00 0.00 37.83 33.79 3mtq s LYS 27 CO 0.00 -0.95 0.26 -0.65 -0.76 0.00 0.00 175.35 173.25 3mtq s GLN 28 N -2.62 1.27 0.53 1.68 -1.52 -1.26 -5.00 119.66 112.74 3mtq s GLN 28 Ca 0.65 -2.03 0.31 0.00 -1.95 0.00 0.00 55.36 52.33 3mtq s GLN 28 Cb -0.42 -2.26 1.44 0.00 -0.22 0.00 0.00 33.01 31.55 3mtq s GLN 28 CO 0.53 -1.19 2.03 -1.00 -0.25 0.00 0.00 175.29 175.41 3mtq h PRO 29 N 6.61 0.00 -0.64 2.91 0.13 -2.03 -2.98 132.00 135.99 3mtq h PRO 29 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 3mtq h PRO 29 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 3mtq h PRO 29 CO 0.47 0.10 0.00 -0.25 -0.23 0.00 0.00 178.00 178.09 3mtq n ASP 30 N -3.36 4.33 -4.50 1.44 8.00 -1.26 -4.83 116.55 116.37 3mtq n ASP 30 Ca -0.01 -2.52 -0.34 0.00 0.71 0.00 0.00 54.79 52.63 3mtq n ASP 30 Cb 0.28 -0.58 -0.12 0.00 -0.02 0.00 0.00 41.12 40.68 3mtq n ASP 30 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3mtq s ILE 31 N -2.05 4.05 0.07 0.53 1.01 -1.13 -0.22 121.20 123.47 3mtq s ILE 31 Ca 0.43 -0.29 0.09 0.00 0.00 0.00 0.00 60.65 60.88 3mtq s ILE 31 Cb 0.30 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.93 3mtq s ILE 31 CO 0.17 0.46 -0.25 -1.00 0.00 0.00 0.00 174.94 174.32 3mtq s HIS 32 N 0.60 2.18 0.07 3.97 3.76 0.15 -4.98 115.29 121.04 3mtq s HIS 32 Ca -0.01 -0.40 0.08 0.00 -0.15 0.00 0.00 55.06 54.58 3mtq s HIS 32 Cb -0.14 -1.26 -0.03 0.00 1.11 0.00 0.00 32.58 32.25 3mtq s HIS 32 CO 0.02 0.19 -0.19 0.95 -0.85 0.00 0.00 174.74 174.86 3mtq s THR 33 N -0.90 2.73 -0.22 1.30 -4.23 -1.26 0.03 115.64 113.09 3mtq s THR 33 Ca 0.11 -1.31 0.01 0.00 -1.18 0.00 0.00 61.69 59.32 3mtq s THR 33 Cb -0.10 -2.18 0.05 0.00 1.34 0.00 0.00 72.50 71.62 3mtq s THR 33 CO 0.03 0.27 -0.10 -0.22 -0.54 0.00 0.00 174.62 174.06 3mtq s LEU 34 N -1.64 2.59 -0.40 4.79 0.20 0.84 -4.93 118.68 120.14 3mtq s LEU 34 Ca 0.15 -1.05 -0.09 0.00 0.69 0.00 0.00 54.13 53.83 3mtq s LEU 34 Cb -0.10 -1.30 0.06 0.00 -0.43 0.00 0.00 46.19 44.41 3mtq s LEU 34 CO 0.06 -0.17 0.22 0.00 -0.29 0.00 0.00 176.35 176.18 3mtq s ALA 36 N 1.45 3.48 -1.45 0.00 0.00 0.34 -4.15 121.76 121.44 3mtq s ALA 36 Ca 0.02 0.05 -0.09 0.00 0.00 0.00 0.00 51.96 51.94 3mtq s ALA 36 Cb -0.21 -2.70 0.03 0.00 0.00 0.00 0.00 23.12 20.23 3mtq s ALA 36 CO 0.03 0.38 0.91 0.66 0.00 0.00 0.00 175.76 177.74 3mtq n TYR 37 N 0.77 -2.40 0.36 0.00 4.01 -1.26 -0.37 117.16 118.28 3mtq n TYR 37 Ca -0.04 0.80 0.12 0.00 -0.16 0.00 0.00 57.90 58.62 3mtq n TYR 37 Cb 0.51 -4.47 0.21 0.00 -0.31 0.00 0.00 39.34 35.28 3mtq n TYR 37 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 3mtq n VAL 38 N -4.71 0.47 -3.30 -0.72 0.24 -1.26 -4.74 118.33 104.31 3mtq n VAL 38 Ca -0.02 -0.73 -0.06 0.00 -2.04 0.00 0.00 64.34 61.49 3mtq n VAL 38 Cb 0.57 1.02 -0.06 0.00 -1.47 0.00 0.00 33.84 33.90 3mtq n VAL 38 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3mtq s GLU 39 N -1.53 0.41 0.58 7.34 8.01 -1.26 -5.06 118.70 127.19 3mtq s GLU 39 Ca 0.38 0.53 0.28 0.00 0.01 0.00 0.00 54.97 56.18 3mtq s GLU 39 Cb 0.23 -0.23 1.50 0.00 -4.31 0.00 0.00 34.13 31.32 3mtq s GLU 39 CO 0.32 -0.74 1.94 0.93 0.01 0.00 0.00 175.26 177.72 3mtq h GLU 40 N 8.14 0.00 0.00 1.61 4.39 -2.02 -1.57 114.58 125.13 3mtq h GLU 40 Ca -0.17 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.48 3mtq h GLU 40 Cb 1.15 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 3mtq h GLU 40 CO 0.26 0.00 -0.25 1.05 -1.16 0.00 0.00 179.01 178.92 3mtq h GLU 41 N 0.00 0.00 -5.54 2.33 -0.00 -2.01 -3.44 114.58 105.91 3mtq h GLU 41 Ca 0.21 0.00 -0.61 0.00 -0.00 0.00 0.00 59.36 58.96 3mtq h GLU 41 Cb 1.07 0.00 -0.11 0.00 -0.00 0.00 0.00 28.75 29.71 3mtq h GLU 41 CO -0.00 0.25 0.16 0.08 -0.00 0.00 0.00 179.01 179.49 3mtq s VAL 42 N -4.11 4.99 0.13 -1.06 1.01 -0.59 -5.05 120.40 115.72 3mtq s VAL 42 Ca -0.02 1.15 -0.30 0.00 0.00 0.00 0.00 61.98 62.80 3mtq s VAL 42 Cb 0.13 -3.94 -0.06 0.00 0.00 0.00 0.00 36.38 32.51 3mtq s VAL 42 CO 0.66 0.05 1.00 -0.62 0.00 0.00 0.00 175.10 176.18 3mtq s ASP 43 N 1.41 7.44 0.11 3.32 2.15 -1.26 -4.86 116.67 124.98 3mtq s ASP 43 Ca 0.27 1.87 -0.14 0.00 0.43 0.00 0.00 52.55 54.98 3mtq s ASP 43 Cb -0.16 -2.59 -0.07 0.00 -0.30 0.00 0.00 42.92 39.80 3mtq s ASP 43 CO 0.09 -0.11 1.45 0.25 -0.17 0.00 0.00 175.17 176.68 3mtq h LEU 44 N 5.47 0.81 -0.53 -1.34 5.85 -1.99 -1.20 115.31 122.38 3mtq h LEU 44 Ca -0.43 -0.46 0.07 0.00 0.84 0.00 0.00 57.88 57.90 3mtq h LEU 44 Cb 1.21 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.95 3mtq h LEU 44 CO 0.72 1.10 0.21 0.74 -0.34 0.00 0.00 178.44 180.87 3mtq h THR 45 N 0.54 0.85 -0.56 1.05 2.02 -1.98 0.04 112.91 114.86 3mtq h THR 45 Ca 0.06 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 3mtq h THR 45 Cb 0.86 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 3mtq h THR 45 CO 0.07 0.07 0.25 -0.61 0.37 0.00 0.00 175.52 175.67 3mtq h GLN 46 N 0.41 0.83 -0.03 6.66 4.15 -1.90 -0.73 115.11 124.49 3mtq h GLN 46 Ca 0.25 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.54 3mtq h GLN 46 Cb 0.26 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 27.80 3mtq h GLN 46 CO -0.24 0.70 0.02 0.37 -1.93 0.00 0.00 178.83 177.74 3mtq h GLN 47 N 0.77 0.04 -0.04 1.69 4.15 -0.55 0.40 115.11 121.56 3mtq h GLN 47 Ca 0.19 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.59 3mtq h GLN 47 Cb 0.16 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 27.84 3mtq h GLN 47 CO -0.02 0.02 -0.06 0.28 -1.93 0.00 0.00 178.83 177.12 3mtq h VAL 48 N 0.04 1.42 -0.57 2.39 2.07 -0.96 -2.77 116.25 117.87 3mtq h VAL 48 Ca 0.01 -1.34 -0.10 0.00 0.82 0.00 0.00 66.70 66.09 3mtq h VAL 48 Cb -0.00 2.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 3mtq h VAL 48 CO -0.01 0.36 -0.05 -0.33 0.02 0.00 0.00 177.57 177.56 3mtq h GLU 49 N -0.41 1.03 -0.66 1.57 5.08 -1.18 -1.52 114.58 118.50 3mtq h GLU 49 Ca 0.00 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 57.98 3mtq h GLU 49 Cb 0.62 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 3mtq h GLU 49 CO 0.01 1.04 0.27 0.00 -1.00 0.00 0.00 179.01 179.33 3mtq h ALA 50 N 0.99 0.86 -0.41 3.43 0.00 -0.99 -1.96 119.26 121.19 3mtq h ALA 50 Ca 0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3mtq h ALA 50 Cb 0.61 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3mtq h ALA 50 CO 0.04 0.48 0.12 1.25 0.00 0.00 0.00 179.25 181.13 3mtq h LEU 51 N 0.94 0.61 -0.78 0.00 5.85 -1.29 -2.94 115.31 117.70 3mtq h LEU 51 Ca 0.22 -0.22 -0.11 0.00 0.84 0.00 0.00 57.88 58.61 3mtq h LEU 51 Cb 0.20 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3mtq h LEU 51 CO -0.02 0.67 -0.31 0.58 -0.34 0.00 0.00 178.44 179.02 3mtq h VAL 52 N 0.53 1.28 0.00 1.05 2.07 -1.16 -2.86 116.25 117.16 3mtq h VAL 52 Ca 0.13 -1.41 -0.01 0.00 0.82 0.00 0.00 66.70 66.23 3mtq h VAL 52 Cb 0.28 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 3mtq h VAL 52 CO -0.00 0.45 -0.05 0.00 0.02 0.00 0.00 177.57 177.99 3mtq h ALA 53 N 1.17 1.04 0.00 1.67 0.00 -1.21 -2.65 119.26 119.28 3mtq h ALA 53 Ca 0.06 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3mtq h ALA 53 Cb 0.78 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3mtq h ALA 53 CO 0.06 0.06 -0.24 0.00 0.00 0.00 0.00 179.25 179.13 3mtq h ARG 54 N 0.00 0.00 -6.50 0.00 3.08 -1.33 -3.45 114.38 106.17 3mtq h ARG 54 Ca -0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 3mtq h ARG 54 Cb 0.44 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 3mtq h ARG 54 CO 0.01 0.24 0.25 -0.06 -1.07 0.00 0.00 179.97 179.34 3mtq s PHE 55 N -3.67 3.84 0.27 3.04 0.40 -1.00 -5.00 117.98 115.87 3mtq s PHE 55 Ca 0.00 1.68 -0.30 0.00 -0.60 0.00 0.00 56.93 57.71 3mtq s PHE 55 Cb 0.10 -2.89 -0.13 0.00 0.51 0.00 0.00 43.02 40.61 3mtq s PHE 55 CO 0.64 0.35 1.44 -2.30 0.70 0.00 0.00 175.22 176.05 3mtq n PRO 56 N 2.26 2.23 0.16 0.24 -0.02 -1.26 -4.87 135.00 133.73 3mtq n PRO 56 Ca -0.02 0.79 0.12 0.00 -2.02 0.00 0.00 63.50 62.37 3mtq n PRO 56 Cb 0.49 -2.47 0.58 0.00 -0.02 0.00 0.00 33.50 32.08 3mtq n PRO 56 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mtq h ALA 57 N 4.05 1.00 -0.00 3.55 0.00 -1.95 -2.78 119.26 123.13 3mtq h ALA 57 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3mtq h ALA 57 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3mtq h ALA 57 CO 0.74 0.00 -0.37 0.00 0.00 0.00 0.00 179.25 179.62 3mtq n GLN 58 N -2.34 0.15 -3.89 0.00 10.64 -1.26 -4.88 117.38 115.81 3mtq n GLN 58 Ca 0.00 -0.08 -0.21 0.00 -1.83 0.00 0.00 57.00 54.89 3mtq n GLN 58 Cb 0.15 -1.50 -0.02 0.00 -0.86 0.00 0.00 30.24 28.01 3mtq n GLN 58 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3mtq s ASP 59 N -2.90 5.93 0.01 2.61 1.01 -1.05 -4.79 116.67 117.49 3mtq s ASP 59 Ca 0.14 -0.13 -0.22 0.00 0.71 0.00 0.00 52.55 53.06 3mtq s ASP 59 Cb 0.18 -1.52 -0.05 0.00 1.01 0.00 0.00 42.92 42.54 3mtq s ASP 59 CO 0.64 -0.17 0.65 -1.61 0.21 0.00 0.00 175.17 174.89 3mtq s GLU 60 N -3.99 4.37 -0.23 8.23 2.02 -0.00 -4.83 118.70 124.27 3mtq s GLU 60 Ca 0.37 0.84 0.02 0.00 0.02 0.00 0.00 54.97 56.21 3mtq s GLU 60 Cb -0.08 -3.35 0.05 0.00 0.10 0.00 0.00 34.13 30.84 3mtq s GLU 60 CO 0.28 0.33 -0.13 -1.17 0.02 0.00 0.00 175.26 174.60 3mtq s LEU 61 N -0.13 2.85 -0.35 1.80 2.96 -0.46 -1.06 118.68 124.31 3mtq s LEU 61 Ca 0.33 -1.10 -0.07 0.00 -0.22 0.00 0.00 54.13 53.07 3mtq s LEU 61 Cb -0.19 -1.46 0.04 0.00 0.50 0.00 0.00 46.19 45.08 3mtq s LEU 61 CO 0.19 -0.13 0.13 -0.63 -1.32 0.00 0.00 176.35 174.58 3mtq s ILE 62 N 1.22 3.91 -0.20 6.68 1.01 -0.03 -0.54 121.20 133.23 3mtq s ILE 62 Ca -0.04 -1.12 -0.10 0.00 0.00 0.00 0.00 60.65 59.39 3mtq s ILE 62 Cb -0.17 -3.22 -0.05 0.00 0.01 0.00 0.00 42.46 39.02 3mtq s ILE 62 CO -0.08 -0.21 0.13 -0.69 0.00 0.00 0.00 174.94 174.09 3mtq s VAL 63 N 1.42 5.35 -0.25 2.92 1.01 0.45 -0.82 120.40 130.47 3mtq s VAL 63 Ca -0.01 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.15 3mtq s VAL 63 Cb -0.20 -3.45 0.05 0.00 0.00 0.00 0.00 36.38 32.78 3mtq s VAL 63 CO 0.03 0.43 -0.10 -0.63 0.00 0.00 0.00 175.10 174.83 3mtq s ILE 64 N 0.45 2.37 0.26 2.22 1.09 0.25 0.21 121.20 128.05 3mtq s ILE 64 Ca 0.08 -1.39 0.03 0.00 -1.10 0.00 0.00 60.65 58.26 3mtq s ILE 64 Cb -0.11 -2.30 -0.03 0.00 -1.06 0.00 0.00 42.46 38.96 3mtq s ILE 64 CO -0.01 0.09 0.42 0.42 -0.10 0.00 0.00 174.94 175.76 3mtq s THR 65 N 1.19 5.21 0.15 2.92 -4.23 0.60 -1.08 115.64 120.40 3mtq s THR 65 Ca -0.05 -0.72 -0.16 0.00 -1.18 0.00 0.00 61.69 59.58 3mtq s THR 65 Cb -0.18 -3.83 0.01 0.00 1.34 0.00 0.00 72.50 69.84 3mtq s THR 65 CO -0.06 -0.36 1.80 -2.24 -0.54 0.00 0.00 174.62 173.22 3mtq h ASP 66 N 1.22 0.38 -3.56 3.99 2.03 -1.34 0.51 116.42 119.65 3mtq h ASP 66 Ca -0.50 0.00 -0.06 0.00 -0.73 0.00 0.00 57.03 55.74 3mtq h ASP 66 Cb 1.22 -0.08 -0.23 0.00 -0.83 0.00 0.00 39.33 39.41 3mtq h ASP 66 CO 0.63 0.27 -0.07 -0.51 -1.03 0.00 0.00 179.24 178.53 3mtq s ILE 67 N -6.16 -0.01 0.16 4.15 2.07 -1.26 -3.37 121.20 116.78 3mtq s ILE 67 Ca -0.13 0.02 -0.16 0.00 -1.41 0.00 0.00 60.65 58.97 3mtq s ILE 67 Cb 0.11 -0.82 0.02 0.00 0.13 0.00 0.00 42.46 41.90 3mtq s ILE 67 CO 0.72 0.01 1.82 0.15 -1.91 0.00 0.00 174.94 175.72 3mtq h PHE 68 N 6.05 0.52 0.00 3.50 3.57 -1.88 -2.91 116.94 125.78 3mtq h PHE 68 Ca -0.30 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.21 3mtq h PHE 68 Cb 1.19 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.75 3mtq h PHE 68 CO 0.28 0.32 0.00 0.00 -2.23 0.00 0.00 178.31 176.68 3mtq n ALA 69 N -2.21 1.47 -2.01 2.41 0.00 -1.26 -4.56 120.51 114.35 3mtq n ALA 69 Ca 0.01 -0.04 -0.18 0.00 0.00 0.00 0.00 53.44 53.23 3mtq n ALA 69 Cb 0.02 -1.15 0.03 0.00 0.00 0.00 0.00 19.45 18.35 3mtq n ALA 69 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3mtq s GLY 70 N -2.91 1.87 0.40 0.00 0.00 -1.10 -4.93 107.32 100.66 3mtq s GLY 70 Ca 0.06 -1.79 0.07 0.00 0.00 0.00 0.00 44.72 43.05 3mtq s GLY 70 CO 0.17 -1.51 2.05 1.76 0.00 0.00 0.00 173.10 175.56 3mtq h SER 71 N 0.44 0.50 0.13 1.64 0.02 -1.89 -1.24 113.55 113.15 3mtq h SER 71 Ca -0.37 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.56 3mtq h SER 71 Cb 1.28 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.70 3mtq h SER 71 CO 0.44 0.36 -0.06 0.58 -1.14 0.00 0.00 176.83 177.01 3mtq h VAL 72 N 0.58 1.04 0.16 2.27 2.07 -1.95 -2.78 116.25 117.64 3mtq h VAL 72 Ca 0.17 -1.12 0.01 0.00 0.82 0.00 0.00 66.70 66.58 3mtq h VAL 72 Cb -0.03 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 3mtq h VAL 72 CO -0.04 0.25 -0.26 -1.13 0.02 0.00 0.00 177.57 176.41 3mtq h ASN 73 N -0.74 -0.72 -1.10 0.57 -1.24 -1.70 -2.35 115.58 108.30 3mtq h ASN 73 Ca -0.02 0.08 0.34 0.00 0.71 0.00 0.00 56.30 57.41 3mtq h ASN 73 Cb 0.54 0.27 -0.13 0.00 0.73 0.00 0.00 38.32 39.73 3mtq h ASN 73 CO 0.03 -0.36 0.67 0.78 -1.29 0.00 0.00 177.43 177.27 3mtq h ASN 74 N -0.49 0.43 0.44 1.15 2.35 -1.25 0.30 115.58 118.51 3mtq h ASN 74 Ca 0.02 0.15 -0.06 0.00 -0.55 0.00 0.00 56.30 55.85 3mtq h ASN 74 Cb 0.50 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 3mtq h ASN 74 CO -0.12 -0.08 -0.30 -0.33 -1.65 0.00 0.00 177.43 174.95 3mtq h GLU 75 N 0.29 0.00 0.00 0.81 4.39 -1.13 -2.89 114.58 116.05 3mtq h GLU 75 Ca 0.72 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.42 3mtq h GLU 75 Cb 1.86 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.51 3mtq h GLU 75 CO -0.47 0.30 -0.54 0.74 -1.16 0.00 0.00 179.01 177.89 3mtq h PHE 76 N 0.00 0.00 -0.76 4.33 0.04 -0.41 -3.35 116.94 116.79 3mtq h PHE 76 Ca -0.00 0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.85 3mtq h PHE 76 Cb 0.60 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.70 3mtq h PHE 76 CO 0.00 0.00 0.50 0.28 -0.60 0.00 0.00 178.31 178.49 3mtq h VAL 77 N 0.00 0.98 -0.66 -0.55 2.07 -1.25 -0.87 116.25 115.98 3mtq h VAL 77 Ca 0.00 -0.25 0.19 0.00 0.82 0.00 0.00 66.70 67.46 3mtq h VAL 77 Cb 0.80 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3mtq h VAL 77 CO 0.00 0.14 0.55 0.08 0.02 0.00 0.00 177.57 178.36 3mtq h ARG 78 N 0.74 0.00 -0.02 1.57 0.11 -1.76 -2.41 114.38 112.62 3mtq h ARG 78 Ca 0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.42 3mtq h ARG 78 Cb 0.36 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.44 3mtq h ARG 78 CO -0.12 0.00 0.00 1.19 0.10 0.00 0.00 179.97 181.14 3mtq n PHE 79 N -4.02 0.01 0.20 4.08 3.72 -0.33 -4.15 117.46 116.97 3mtq n PHE 79 Ca 0.13 -0.01 0.16 0.00 -0.05 0.00 0.00 57.45 57.68 3mtq n PHE 79 Cb 0.80 0.00 0.78 0.00 -0.94 0.00 0.00 39.48 40.12 3mtq n PHE 79 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 3mtq h LEU 80 N 1.41 0.00 -0.82 4.37 3.38 -1.57 -0.03 115.31 122.05 3mtq h LEU 80 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mtq h LEU 80 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3mtq h LEU 80 CO 0.00 0.00 -0.22 -1.54 0.09 0.00 0.00 178.44 176.77 3mtq n SER 81 N -4.04 1.50 -4.72 -0.43 3.41 -1.26 -4.88 113.62 103.20 3mtq n SER 81 Ca 0.01 -1.24 -0.42 0.00 -0.26 0.00 0.00 58.87 56.96 3mtq n SER 81 Cb 0.29 0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.37 3mtq n SER 81 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3mtq s ARG 82 N -2.35 4.43 0.26 4.33 3.52 -0.03 -4.97 118.95 124.15 3mtq s ARG 82 Ca 0.26 1.85 -0.30 0.00 -0.13 0.00 0.00 55.73 57.41 3mtq s ARG 82 Cb 0.19 -3.30 -0.14 0.00 -1.56 0.00 0.00 34.95 30.14 3mtq s ARG 82 CO 0.47 -0.24 1.23 -2.30 -0.81 0.00 0.00 175.30 173.65 3mtq n PRO 83 N 3.56 1.70 -1.76 5.12 -0.02 -1.26 -2.49 135.00 139.84 3mtq n PRO 83 Ca 0.08 0.60 -0.18 0.00 -2.02 0.00 0.00 63.50 61.98 3mtq n PRO 83 Cb 0.45 -2.13 -0.06 0.00 -0.02 0.00 0.00 33.50 31.74 3mtq n PRO 83 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3mtq n HIS 84 N 1.06 -0.25 -3.87 6.00 8.25 -1.26 -4.89 115.22 120.25 3mtq n HIS 84 Ca 0.10 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.21 3mtq n HIS 84 Cb 0.31 -3.19 -0.08 0.00 1.12 0.00 0.00 29.99 28.16 3mtq n HIS 84 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3mtq s PHE 85 N -2.73 3.42 -0.08 4.41 5.36 -1.04 -1.35 117.98 125.98 3mtq s PHE 85 Ca 0.00 0.33 0.01 0.00 -0.96 0.00 0.00 56.93 56.31 3mtq s PHE 85 Cb 0.00 -2.05 0.02 0.00 -0.34 0.00 0.00 43.02 40.65 3mtq s PHE 85 CO 0.00 0.41 -0.09 -1.01 -1.46 0.00 0.00 175.22 173.08 3mtq s HIS 86 N -0.15 1.29 -0.14 10.12 3.76 0.29 -4.89 115.29 125.57 3mtq s HIS 86 Ca 0.09 -0.51 0.02 0.00 -0.15 0.00 0.00 55.06 54.51 3mtq s HIS 86 Cb -0.12 -1.02 0.01 0.00 1.11 0.00 0.00 32.58 32.56 3mtq s HIS 86 CO 0.01 -0.33 -0.20 -1.17 -0.85 0.00 0.00 174.74 172.19 3mtq s LEU 87 N 1.08 2.04 -0.01 0.89 2.96 -1.26 -0.42 118.68 123.97 3mtq s LEU 87 Ca -0.07 -0.59 0.08 0.00 -0.22 0.00 0.00 54.13 53.33 3mtq s LEU 87 Cb -0.14 -1.39 -0.02 0.00 0.50 0.00 0.00 46.19 45.13 3mtq s LEU 87 CO -0.01 0.05 -0.25 -0.76 -1.32 0.00 0.00 176.35 174.06 3mtq s LEU 88 N 0.96 2.07 0.07 -0.68 1.02 0.13 -5.00 118.68 117.25 3mtq s LEU 88 Ca -0.04 -0.48 0.09 0.00 0.02 0.00 0.00 54.13 53.73 3mtq s LEU 88 Cb -0.15 -1.29 -0.03 0.00 0.02 0.00 0.00 46.19 44.74 3mtq s LEU 88 CO -0.04 0.30 -0.26 -0.55 0.02 0.00 0.00 176.35 175.82 3mtq s SER 89 N -0.70 3.11 0.00 2.29 0.15 -1.26 -0.29 113.70 117.00 3mtq s SER 89 Ca 0.10 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.13 3mtq s SER 89 Cb -0.10 -0.26 0.00 0.00 -1.71 0.00 0.00 66.02 63.95 3mtq s SER 89 CO -0.00 0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.27 3mtq n GLY 90 N 1.56 0.60 3.36 9.45 0.00 0.15 -4.85 105.19 115.46 3mtq n GLY 90 Ca -0.17 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.32 3mtq n GLY 90 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mtq n LEU 91 N 0.00 -0.50 -3.53 0.99 4.77 0.64 -4.97 117.00 114.41 3mtq n LEU 91 Ca 0.00 1.11 -0.08 0.00 -0.03 0.00 0.00 56.01 57.01 3mtq n LEU 91 Cb 0.00 -0.90 -0.02 0.00 -2.33 0.00 0.00 43.42 40.17 3mtq n LEU 91 CO 0.00 -2.28 0.63 0.54 -1.33 0.00 0.00 177.39 174.95 3mtq s ASN 92 N -0.40 -0.38 -0.01 -1.43 2.20 -1.26 -4.93 114.94 108.74 3mtq s ASN 92 Ca 0.78 -0.06 -0.25 0.00 -0.94 0.00 0.00 52.86 52.38 3mtq s ASN 92 Cb -1.10 0.45 -0.19 0.00 -2.00 0.00 0.00 41.25 38.41 3mtq s ASN 92 CO 0.55 -0.74 1.32 0.25 -2.94 0.00 0.00 177.10 175.54 3mtq h LEU 93 N 2.00 0.04 -1.13 3.54 5.85 -1.96 -2.96 115.31 120.68 3mtq h LEU 93 Ca -0.25 -0.44 0.06 0.00 0.84 0.00 0.00 57.88 58.10 3mtq h LEU 93 Cb 1.25 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.21 3mtq h LEU 93 CO 0.31 0.47 0.60 1.55 -0.34 0.00 0.00 178.44 181.03 3mtq h PRO 94 N -0.39 1.02 -0.16 5.25 0.13 -1.98 -0.80 132.00 135.06 3mtq h PRO 94 Ca 0.00 -0.06 0.05 0.00 -0.87 0.00 0.00 66.00 65.12 3mtq h PRO 94 Cb 0.46 -0.23 -0.06 0.00 0.13 0.00 0.00 31.00 31.30 3mtq h PRO 94 CO 0.00 0.67 -0.25 1.25 -0.23 0.00 0.00 178.00 179.45 3mtq h LEU 95 N 1.05 -0.77 -0.47 1.56 5.85 -1.82 -1.14 115.31 119.57 3mtq h LEU 95 Ca 0.39 0.13 -0.06 0.00 0.84 0.00 0.00 57.88 59.18 3mtq h LEU 95 Cb 0.20 0.35 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 3mtq h LEU 95 CO -0.15 -0.29 0.05 0.40 -0.34 0.00 0.00 178.44 178.11 3mtq h ILE 96 N -0.30 1.25 -0.48 4.05 1.08 -1.15 -2.30 117.51 119.66 3mtq h ILE 96 Ca 0.11 -0.96 0.03 0.00 -0.39 0.00 0.00 64.86 63.65 3mtq h ILE 96 Cb 0.46 0.97 -0.04 0.00 -3.07 0.00 0.00 36.82 35.14 3mtq h ILE 96 CO -0.33 0.34 0.26 0.40 -0.69 0.00 0.00 178.15 178.13 3mtq h ILE 97 N 0.65 1.00 -0.29 -0.67 1.08 -1.06 -1.11 117.51 117.11 3mtq h ILE 97 Ca 0.14 -0.18 -0.02 0.00 -0.39 0.00 0.00 64.86 64.42 3mtq h ILE 97 Cb 0.43 0.44 -0.01 0.00 -3.07 0.00 0.00 36.82 34.60 3mtq h ILE 97 CO 0.01 0.09 0.12 -0.78 -0.69 0.00 0.00 178.15 176.90 3mtq h ASP 98 N 0.51 0.39 -0.65 1.72 3.58 -1.09 -1.04 116.42 119.85 3mtq h ASP 98 Ca 0.20 -0.16 0.10 0.00 0.42 0.00 0.00 57.03 57.59 3mtq h ASP 98 Cb 0.08 -0.10 -0.07 0.00 1.72 0.00 0.00 39.33 40.95 3mtq h ASP 98 CO -0.12 0.45 0.27 -0.07 -2.88 0.00 0.00 179.24 176.89 3mtq h LEU 99 N 0.31 0.30 -0.04 2.28 3.38 -1.10 -1.40 115.31 119.05 3mtq h LEU 99 Ca 0.10 0.08 -0.26 0.00 0.09 0.00 0.00 57.88 57.88 3mtq h LEU 99 Cb 0.18 0.04 0.02 0.00 0.09 0.00 0.00 40.66 40.98 3mtq h LEU 99 CO -0.01 0.17 -1.02 -0.07 0.09 0.00 0.00 178.44 177.60 3mtq h LEU 100 N 0.47 0.83 -1.95 1.67 3.38 -0.90 -2.81 115.31 116.01 3mtq h LEU 100 Ca 0.33 -0.67 -0.02 0.00 0.09 0.00 0.00 57.88 57.61 3mtq h LEU 100 Cb 0.40 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3mtq h LEU 100 CO -0.30 1.47 -0.09 0.40 0.09 0.00 0.00 178.44 180.01 3mtq h ILE 101 N 0.36 0.37 -0.45 1.22 2.04 -1.07 -2.92 117.51 117.06 3mtq h ILE 101 Ca -0.12 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.26 3mtq h ILE 101 Cb 1.67 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 39.10 3mtq h ILE 101 CO 0.20 0.08 0.00 -1.20 0.00 0.00 0.00 178.15 177.23 3mtq n SER 102 N -3.44 3.60 0.31 1.72 7.64 -0.54 -4.70 113.62 118.22 3mtq n SER 102 Ca -0.01 -2.25 0.21 0.00 1.01 0.00 0.00 58.87 57.83 3mtq n SER 102 Cb 0.24 -0.39 1.13 0.00 -1.01 0.00 0.00 64.21 64.18 3mtq n SER 102 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mtq h ALA 103 N 2.74 1.00 0.00 -0.43 0.00 -1.29 -0.58 119.26 120.70 3mtq h ALA 103 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3mtq h ALA 103 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3mtq h ALA 103 CO 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.33 3mtq h ALA 104 N 2.00 1.00 -1.85 0.00 0.00 -1.86 -3.42 119.26 115.13 3mtq h ALA 104 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.31 3mtq h ALA 104 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3mtq h ALA 104 CO 0.00 0.00 1.43 -1.91 0.00 0.00 0.00 179.25 178.77 3mtq n GLU 105 N -3.05 1.90 0.07 0.00 4.07 -0.23 -4.88 120.64 118.52 3mtq n GLU 105 Ca 0.02 0.56 0.13 0.00 -0.06 0.00 0.00 57.16 57.80 3mtq n GLU 105 Cb 0.36 -3.02 0.32 0.00 -0.06 0.00 0.00 31.44 29.03 3mtq n GLU 105 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 3mtq n ASP 106 N 10.58 0.69 -4.57 4.31 5.75 -1.26 -4.64 116.55 127.41 3mtq n ASP 106 Ca 0.31 0.35 -0.42 0.00 -0.01 0.00 0.00 54.79 55.01 3mtq n ASP 106 Cb 0.39 -0.34 -0.03 0.00 -1.03 0.00 0.00 41.12 40.11 3mtq n ASP 106 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3mtq s ASN 107 N -4.21 6.36 0.33 -1.12 3.84 -1.26 -4.89 114.94 113.98 3mtq s ASN 107 Ca 0.09 -0.09 0.13 0.00 0.21 0.00 0.00 52.86 53.20 3mtq s ASN 107 Cb 0.14 -2.55 0.57 0.00 -0.55 0.00 0.00 41.25 38.86 3mtq s ASN 107 CO 0.65 -1.57 1.72 0.74 -2.79 0.00 0.00 177.10 175.85 3mtq h THR 108 N 6.11 1.26 -0.07 -5.21 2.02 -2.00 -1.12 112.91 113.91 3mtq h THR 108 Ca -0.26 -1.67 -0.19 0.00 0.77 0.00 0.00 66.41 65.05 3mtq h THR 108 Cb 1.06 1.92 -0.00 0.00 -1.74 0.00 0.00 68.15 69.38 3mtq h THR 108 CO 1.21 0.47 -0.77 -0.33 0.37 0.00 0.00 175.52 176.46 3mtq h GLU 109 N 0.00 0.44 -0.10 6.66 3.07 -1.97 -1.73 114.58 120.95 3mtq h GLU 109 Ca -0.00 -0.38 -0.01 0.00 -0.50 0.00 0.00 59.36 58.47 3mtq h GLU 109 Cb 0.88 0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 28.87 3mtq h GLU 109 CO 0.06 1.02 0.03 -0.22 -1.40 0.00 0.00 179.01 178.51 3mtq h LYS 110 N 0.29 0.16 -0.06 2.33 3.64 -1.89 -1.23 116.57 119.81 3mtq h LYS 110 Ca -0.04 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3mtq h LYS 110 Cb 1.36 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 33.11 3mtq h LYS 110 CO 0.14 0.30 -0.28 1.25 -2.27 0.00 0.00 179.45 178.58 3mtq h LEU 111 N -0.02 -0.86 -0.40 5.20 5.85 -1.03 -1.53 115.31 122.52 3mtq h LEU 111 Ca 0.03 0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.77 3mtq h LEU 111 Cb 0.21 0.36 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 3mtq h LEU 111 CO -0.00 -0.34 -0.15 0.40 -0.34 0.00 0.00 178.44 178.01 3mtq h ILE 112 N -0.40 1.28 -0.05 4.05 2.04 -1.35 -0.94 117.51 122.14 3mtq h ILE 112 Ca 0.08 -1.27 -0.17 0.00 1.00 0.00 0.00 64.86 64.50 3mtq h ILE 112 Cb 0.51 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 3mtq h ILE 112 CO -0.28 0.43 -0.71 0.71 0.00 0.00 0.00 178.15 178.29 3mtq h THR 113 N 0.62 1.42 -0.52 -0.27 1.35 -1.04 -1.67 112.91 112.80 3mtq h THR 113 Ca 0.09 -2.22 -0.09 0.00 -0.55 0.00 0.00 66.41 63.65 3mtq h THR 113 Cb 0.70 2.17 -0.02 0.00 -1.73 0.00 0.00 68.15 69.27 3mtq h THR 113 CO 0.05 0.65 -0.04 -0.33 -0.25 0.00 0.00 175.52 175.60 3mtq h GLU 114 N 0.16 0.91 -0.23 4.72 5.08 -1.27 -0.84 114.58 123.12 3mtq h GLU 114 Ca -0.02 -0.28 -0.11 0.00 -1.00 0.00 0.00 59.36 57.95 3mtq h GLU 114 Cb 1.27 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 3mtq h GLU 114 CO 0.11 0.93 -0.28 0.00 -1.00 0.00 0.00 179.01 178.77 3mtq h ALA 115 N 1.12 0.34 -0.07 3.43 0.00 -0.97 -0.21 119.26 122.90 3mtq h ALA 115 Ca 0.15 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.68 3mtq h ALA 115 Cb 0.55 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3mtq h ALA 115 CO 0.03 0.34 -0.04 -0.07 0.00 0.00 0.00 179.25 179.51 3mtq h LEU 116 N 0.28 -0.13 -0.63 0.00 3.38 -1.24 0.15 115.31 117.12 3mtq h LEU 116 Ca 0.03 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.10 3mtq h LEU 116 Cb 0.84 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.61 3mtq h LEU 116 CO 0.07 -0.06 0.31 0.74 0.09 0.00 0.00 178.44 179.59 3mtq h THR 117 N -0.04 0.90 -0.47 0.22 2.02 -1.11 -0.07 112.91 114.36 3mtq h THR 117 Ca 0.04 -0.19 -0.05 0.00 0.77 0.00 0.00 66.41 66.98 3mtq h THR 117 Cb 0.10 0.28 -0.02 0.00 -1.74 0.00 0.00 68.15 66.77 3mtq h THR 117 CO -0.10 0.10 0.09 0.78 0.37 0.00 0.00 175.52 176.77 3mtq h ASN 118 N 0.56 0.73 -0.46 4.18 -0.26 -0.82 -2.54 115.58 116.97 3mtq h ASN 118 Ca 0.29 -0.25 0.05 0.00 -0.56 0.00 0.00 56.30 55.83 3mtq h ASN 118 Cb 0.26 -0.19 -0.04 0.00 -1.06 0.00 0.00 38.32 37.28 3mtq h ASN 118 CO -0.22 0.79 0.21 0.00 -1.06 0.00 0.00 177.43 177.14 3mtq h ALA 119 N 0.96 0.58 0.00 -0.83 0.00 -0.40 -1.92 119.26 117.65 3mtq h ALA 119 Ca 0.14 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3mtq h ALA 119 Cb 0.36 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3mtq h ALA 119 CO 0.01 -0.16 -0.36 0.87 0.00 0.00 0.00 179.25 179.61 3mtq h LYS 120 N 0.41 0.00 0.00 0.00 1.57 -0.83 -1.29 116.57 116.44 3mtq h LYS 120 Ca 0.21 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.80 3mtq h LYS 120 Cb 0.15 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3mtq h LYS 120 CO -0.17 0.36 -0.86 1.49 -0.57 0.00 0.00 179.45 179.69 3mtq h GLU 121 N 0.00 0.13 0.00 3.15 4.81 -1.14 -3.21 114.58 118.31 3mtq h GLU 121 Ca -0.00 -0.15 -0.16 0.00 -0.13 0.00 0.00 59.36 58.92 3mtq h GLU 121 Cb 0.69 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 3mtq h GLU 121 CO 0.05 0.91 -0.76 1.03 -0.73 0.00 0.00 179.01 179.51 3mtq h SER 122 N 0.07 0.00 -2.89 1.04 0.87 -0.91 -3.42 113.55 108.31 3mtq h SER 122 Ca -0.03 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.96 3mtq h SER 122 Cb 1.49 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.42 3mtq h SER 122 CO 0.13 0.76 1.13 -0.63 -0.53 0.00 0.00 176.83 177.68 3mtq s ILE 123 N -3.15 3.74 0.13 2.23 1.01 -0.53 -4.96 121.20 119.67 3mtq s ILE 123 Ca 0.00 0.81 -0.20 0.00 0.00 0.00 0.00 60.65 61.26 3mtq s ILE 123 Cb 0.11 -3.84 0.05 0.00 0.01 0.00 0.00 42.46 38.79 3mtq s ILE 123 CO 0.78 -0.43 0.50 0.00 0.00 0.00 0.00 174.94 175.79 3mtq s GLN 124 N 4.87 1.15 -0.52 2.79 -2.07 -1.26 -4.94 119.66 119.68 3mtq s GLN 124 Ca 0.69 -0.54 -0.18 0.00 -1.82 0.00 0.00 55.36 53.52 3mtq s GLN 124 Cb -0.21 0.52 0.07 0.00 -1.09 0.00 0.00 33.01 32.30 3mtq s GLN 124 CO 0.30 -0.47 0.59 -0.47 -1.32 0.00 0.00 175.29 173.91 3mtq s TYR 125 N -3.58 3.09 0.27 9.60 5.04 -1.26 -4.96 117.35 125.55 3mtq s TYR 125 Ca 0.01 -0.75 0.21 0.00 -2.44 0.00 0.00 57.07 54.09 3mtq s TYR 125 Cb 0.00 -3.57 0.93 0.00 0.35 0.00 0.00 41.96 39.67 3mtq s TYR 125 CO -0.11 -1.04 1.86 0.00 -1.34 0.00 0.00 175.55 174.92 3mtq h ASN 127 N 0.00 0.00 0.17 0.00 4.21 -1.93 -0.19 115.58 117.85 3mtq h ASN 127 Ca -0.00 0.00 -0.35 0.00 1.21 0.00 0.00 56.30 57.15 3mtq h ASN 127 Cb 0.68 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.84 3mtq h ASN 127 CO 0.04 0.00 -2.06 0.00 -1.29 0.00 0.00 177.43 174.12 3mtq n GLN 128 N -4.43 0.70 0.08 0.81 6.02 -0.68 -4.52 117.38 115.37 3mtq n GLN 128 Ca 0.00 0.22 0.04 0.00 -0.01 0.00 0.00 57.00 57.25 3mtq n GLN 128 Cb 0.21 -1.68 -0.03 0.00 1.02 0.00 0.00 30.24 29.77 3mtq n GLN 128 CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 3mtq h THR 129 N 0.04 0.43 -3.15 5.09 1.35 -1.14 -3.33 112.91 112.18 3mtq h THR 129 Ca -0.43 -1.76 -0.79 0.00 -0.55 0.00 0.00 66.41 62.88 3mtq h THR 129 Cb 2.02 1.98 -0.29 0.00 -1.73 0.00 0.00 68.15 70.13 3mtq h THR 129 CO 0.05 0.24 0.56 -0.38 -0.25 0.00 0.00 175.52 175.74 3mtq n ILE 130 N -2.91 4.80 0.00 6.82 5.41 -0.10 -5.07 119.36 128.31 3mtq n ILE 130 Ca -0.05 -5.66 0.00 0.00 1.00 0.00 0.00 62.75 58.05 3mtq n ILE 130 Cb 0.74 -2.29 0.00 0.00 -0.71 0.00 0.00 39.64 37.38 3mtq n ILE 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55