#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dub s PHE 33 N 0.00 3.39 -0.02 -2.53 0.08 -1.26 -4.95 117.98 112.69 1dub s PHE 33 Ca 0.00 1.47 -0.21 0.00 0.12 0.00 0.00 56.93 58.31 1dub s PHE 33 Cb 0.00 -3.22 -0.26 0.00 -0.57 0.00 0.00 43.02 38.97 1dub s PHE 33 CO 0.00 -0.39 1.02 0.37 -0.10 0.00 0.00 175.22 176.12 1dub h GLN 34 N 7.36 0.34 -0.00 0.44 4.15 -1.98 -3.39 115.11 122.03 1dub h GLN 34 Ca -0.23 -0.43 0.00 0.00 0.77 0.00 0.00 58.65 58.76 1dub h GLN 34 Cb 1.09 0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.92 1dub h GLN 34 CO 0.93 1.13 -0.90 0.66 -1.93 0.00 0.00 178.83 178.72 1dub n TYR 35 N -4.22 0.00 -4.18 3.99 4.01 -1.26 -4.95 117.16 110.55 1dub n TYR 35 Ca -0.11 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.52 1dub n TYR 35 Cb 0.70 -0.01 -0.10 0.00 -0.31 0.00 0.00 39.34 39.62 1dub n TYR 35 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 1dub s ILE 36 N -2.91 0.58 -0.15 -0.72 -4.36 -1.26 0.88 121.20 113.25 1dub s ILE 36 Ca 0.10 -1.93 0.01 0.00 -0.26 0.00 0.00 60.65 58.57 1dub s ILE 36 Cb 0.16 -1.81 0.02 0.00 1.25 0.00 0.00 42.46 42.09 1dub s ILE 36 CO 0.82 -0.75 -0.18 -0.63 0.24 0.00 0.00 174.94 174.43 1dub s ILE 37 N -3.71 1.85 0.07 8.37 1.01 0.81 -4.72 121.20 124.89 1dub s ILE 37 Ca 0.15 -0.83 0.04 0.00 0.00 0.00 0.00 60.65 60.02 1dub s ILE 37 Cb 0.06 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 1dub s ILE 37 CO -0.03 0.51 -0.00 0.42 0.00 0.00 0.00 174.94 175.84 1dub s THR 38 N 1.21 4.02 0.00 2.92 -4.23 -1.26 0.69 115.64 118.99 1dub s THR 38 Ca 0.01 -0.92 -0.18 0.00 -1.18 0.00 0.00 61.69 59.42 1dub s THR 38 Cb -0.14 -2.89 0.03 0.00 1.34 0.00 0.00 72.50 70.85 1dub s THR 38 CO -0.09 0.17 0.40 -0.70 -0.54 0.00 0.00 174.62 173.86 1dub s GLU 39 N -2.16 0.82 -0.38 3.99 2.12 0.44 -5.00 118.70 118.54 1dub s GLU 39 Ca 0.24 -0.20 -0.08 0.00 0.36 0.00 0.00 54.97 55.30 1dub s GLU 39 Cb -0.12 0.37 0.06 0.00 0.26 0.00 0.00 34.13 34.70 1dub s GLU 39 CO 0.17 -0.25 0.19 0.15 -0.54 0.00 0.00 175.26 174.97 1dub s LYS 40 N -1.75 2.59 0.04 4.30 1.02 -1.26 -0.01 119.74 124.67 1dub s LYS 40 Ca -0.10 -1.34 0.00 0.00 0.02 0.00 0.00 55.97 54.56 1dub s LYS 40 Cb -0.03 -3.63 0.00 0.00 -0.52 0.00 0.00 37.83 33.66 1dub s LYS 40 CO 0.03 -0.82 0.02 1.63 -0.92 0.00 0.00 175.35 175.29 1dub n LYS 41 N 4.86 1.60 -0.34 1.68 5.02 0.17 -4.81 118.16 126.33 1dub n LYS 41 Ca -0.11 -0.30 0.03 0.00 -2.02 0.00 0.00 58.31 55.92 1dub n LYS 41 Cb 0.44 0.05 -0.02 0.00 -0.02 0.00 0.00 35.03 35.48 1dub n LYS 41 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1dub n GLY 42 N 4.46 -2.85 3.57 0.72 0.00 -1.26 -1.13 105.19 108.70 1dub n GLY 42 Ca -0.01 -1.33 -0.50 0.00 0.00 0.00 0.00 46.02 44.18 1dub n GLY 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1dub n LYS 43 N -2.43 1.06 -1.15 1.61 4.81 -1.26 0.61 118.16 121.40 1dub n LYS 43 Ca -0.02 0.38 -0.05 0.00 -0.87 0.00 0.00 58.31 57.74 1dub n LYS 43 Cb 0.15 -1.88 -0.02 0.00 0.02 0.00 0.00 35.03 33.30 1dub n LYS 43 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1dub n ASN 44 N 2.07 -5.18 -3.85 3.14 5.15 -1.26 -2.22 115.26 113.11 1dub n ASN 44 Ca 0.16 0.13 -0.26 0.00 -0.60 0.00 0.00 54.58 54.01 1dub n ASN 44 Cb 0.23 -3.15 0.02 0.00 -0.53 0.00 0.00 39.78 36.35 1dub n ASN 44 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1dub n SER 45 N -0.71 -2.24 0.02 1.20 7.64 0.20 -4.88 113.62 114.85 1dub n SER 45 Ca -0.05 -0.86 0.12 0.00 1.01 0.00 0.00 58.87 59.08 1dub n SER 45 Cb 0.43 -3.71 0.13 0.00 -1.01 0.00 0.00 64.21 60.04 1dub n SER 45 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1dub n SER 46 N -2.95 0.62 -4.62 6.43 3.41 -0.94 -4.48 113.62 111.09 1dub n SER 46 Ca -0.17 -0.26 -0.34 0.00 -0.26 0.00 0.00 58.87 57.84 1dub n SER 46 Cb 0.62 0.49 -0.10 0.00 -0.26 0.00 0.00 64.21 64.96 1dub n SER 46 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1dub s VAL 47 N -3.09 4.63 -0.39 -3.33 1.01 -0.29 -1.03 120.40 117.91 1dub s VAL 47 Ca 0.08 -0.09 -0.11 0.00 0.00 0.00 0.00 61.98 61.86 1dub s VAL 47 Cb 0.16 -3.07 0.05 0.00 0.00 0.00 0.00 36.38 33.51 1dub s VAL 47 CO 0.75 0.47 0.23 -0.83 0.00 0.00 0.00 175.10 175.73 1dub s GLY 48 N 0.30 1.94 -0.15 4.51 0.00 -0.62 0.41 107.32 113.71 1dub s GLY 48 Ca 0.02 -1.87 -0.17 0.00 0.00 0.00 0.00 44.72 42.70 1dub s GLY 48 CO 0.01 0.89 0.45 -2.27 0.00 0.00 0.00 173.10 172.17 1dub s LEU 49 N 1.51 4.23 -0.10 0.66 2.96 0.99 -1.10 118.68 127.83 1dub s LEU 49 Ca 0.02 0.70 0.03 0.00 -0.22 0.00 0.00 54.13 54.66 1dub s LEU 49 Cb -0.21 -2.62 -0.01 0.00 0.50 0.00 0.00 46.19 43.86 1dub s LEU 49 CO 0.05 -0.03 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.22 1dub s ILE 50 N 0.90 2.44 -0.14 6.68 1.01 -0.45 -0.42 121.20 131.22 1dub s ILE 50 Ca 0.23 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 60.00 1dub s ILE 50 Cb -0.15 -1.96 0.02 0.00 0.01 0.00 0.00 42.46 40.38 1dub s ILE 50 CO 0.09 0.55 -0.15 -1.58 0.00 0.00 0.00 174.94 173.85 1dub s GLN 51 N 0.22 2.37 0.23 2.79 0.74 0.22 -1.46 119.66 124.77 1dub s GLN 51 Ca -0.13 -0.59 -0.30 0.00 0.05 0.00 0.00 55.36 54.39 1dub s GLN 51 Cb -0.16 -2.12 -0.09 0.00 1.10 0.00 0.00 33.01 31.74 1dub s GLN 51 CO 0.07 -0.20 1.24 -0.51 -0.55 0.00 0.00 175.29 175.34 1dub s LEU 52 N 1.36 4.45 -0.41 3.68 1.43 -0.05 -0.14 118.68 129.01 1dub s LEU 52 Ca 0.03 2.37 0.07 0.00 -1.03 0.00 0.00 54.13 55.57 1dub s LEU 52 Cb -0.13 -3.62 0.24 0.00 0.03 0.00 0.00 46.19 42.71 1dub s LEU 52 CO -0.09 -0.41 0.51 -3.20 0.23 0.00 0.00 176.35 173.39 1dub n ASN 53 N 2.08 0.28 -2.71 2.29 5.15 0.25 -4.34 115.26 118.28 1dub n ASN 53 Ca 0.03 -2.69 -0.07 0.00 -0.60 0.00 0.00 54.58 51.25 1dub n ASN 53 Cb 0.44 -0.63 0.04 0.00 -0.53 0.00 0.00 39.78 39.09 1dub n ASN 53 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1dub n ARG 54 N 1.54 1.32 0.16 1.20 0.63 -1.25 -4.52 116.66 115.74 1dub n ARG 54 Ca 0.22 -3.33 0.17 0.00 -0.92 0.00 0.00 57.85 54.00 1dub n ARG 54 Cb 0.52 -1.35 0.64 0.00 0.45 0.00 0.00 32.46 32.72 1dub n ARG 54 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1dub h PRO 55 N 2.89 0.00 -0.06 -0.14 0.11 -1.92 -0.39 132.00 132.49 1dub h PRO 55 Ca -0.11 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.98 1dub h PRO 55 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1dub h PRO 55 CO 0.41 0.00 -0.06 0.87 -0.21 0.00 0.00 178.00 179.01 1dub h LYS 56 N 0.00 0.09 -0.23 1.05 1.79 -2.02 -1.80 116.57 115.44 1dub h LYS 56 Ca 0.15 -0.01 -0.18 0.00 -2.18 0.00 0.00 60.65 58.42 1dub h LYS 56 Cb 1.31 -0.02 -0.18 0.00 -1.58 0.00 0.00 32.23 31.76 1dub h LYS 56 CO -0.00 0.16 -0.67 0.00 -1.08 0.00 0.00 179.45 177.86 1dub n ALA 57 N -2.51 3.87 -4.18 3.86 0.00 -0.28 -4.97 120.51 116.30 1dub n ALA 57 Ca -0.02 -3.33 -0.32 0.00 0.00 0.00 0.00 53.44 49.77 1dub n ALA 57 Cb 0.17 -0.40 -0.06 0.00 0.00 0.00 0.00 19.45 19.16 1dub n ALA 57 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1dub n LEU 58 N -0.83 -1.17 -2.14 0.00 4.77 -0.68 0.22 117.00 117.17 1dub n LEU 58 Ca 0.24 -1.22 -0.13 0.00 -0.03 0.00 0.00 56.01 54.88 1dub n LEU 58 Cb 0.82 -1.75 -0.02 0.00 -2.33 0.00 0.00 43.42 40.13 1dub n LEU 58 CO 0.09 0.52 -0.15 0.59 -1.33 0.00 0.00 177.39 177.10 1dub n ASN 59 N -2.79 -3.84 -4.63 -1.43 5.03 -0.49 -1.27 115.26 105.85 1dub n ASN 59 Ca -0.28 0.22 -0.47 0.00 0.87 0.00 0.00 54.58 54.92 1dub n ASN 59 Cb 0.67 -3.34 -0.04 0.00 -1.02 0.00 0.00 39.78 36.05 1dub n ASN 59 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1dub n ALA 60 N -1.46 0.25 -2.31 5.41 0.00 0.13 -4.26 120.51 118.27 1dub n ALA 60 Ca -0.15 0.44 -0.34 0.00 0.00 0.00 0.00 53.44 53.39 1dub n ALA 60 Cb 0.56 -2.17 -0.04 0.00 0.00 0.00 0.00 19.45 17.81 1dub n ALA 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1dub s LEU 61 N 0.40 3.37 0.53 0.00 1.43 0.78 -4.77 118.68 120.42 1dub s LEU 61 Ca 0.72 -1.36 -0.06 0.00 -1.03 0.00 0.00 54.13 52.40 1dub s LEU 61 Cb -0.75 -2.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.88 1dub s LEU 61 CO 0.50 -2.12 0.85 0.00 0.23 0.00 0.00 176.35 175.80 1dub h ASN 63 N 0.03 0.22 -0.45 0.00 2.35 -1.98 -0.59 115.58 115.17 1dub h ASN 63 Ca -0.46 0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.43 1dub h ASN 63 Cb 1.22 0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.73 1dub h ASN 63 CO 0.61 -0.01 0.23 1.23 -1.65 0.00 0.00 177.43 177.84 1dub h GLY 64 N 0.36 0.69 0.82 2.83 0.00 -1.99 0.47 103.07 106.25 1dub h GLY 64 Ca 0.51 -0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.54 1dub h GLY 64 CO -0.52 0.32 0.16 -2.00 0.00 0.00 0.00 176.54 174.49 1dub h LEU 65 N 0.59 0.23 -0.74 3.11 7.12 -1.53 -1.81 115.31 122.29 1dub h LEU 65 Ca 0.16 0.02 -0.04 0.00 0.13 0.00 0.00 57.88 58.14 1dub h LEU 65 Cb 0.10 -0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 40.17 1dub h LEU 65 CO -0.02 0.17 0.29 0.40 -0.13 0.00 0.00 178.44 179.15 1dub h ILE 66 N 0.33 1.25 -0.74 4.05 1.08 -0.66 0.11 117.51 122.93 1dub h ILE 66 Ca 0.14 -0.81 -0.03 0.00 -0.39 0.00 0.00 64.86 63.78 1dub h ILE 66 Cb 0.06 0.40 -0.03 0.00 -3.07 0.00 0.00 36.82 34.18 1dub h ILE 66 CO -0.11 0.32 0.35 -0.08 -0.69 0.00 0.00 178.15 177.95 1dub h GLU 67 N 1.06 1.07 -0.10 2.37 4.81 -0.51 0.78 114.58 124.07 1dub h GLU 67 Ca 0.24 -0.15 -0.20 0.00 -0.13 0.00 0.00 59.36 59.12 1dub h GLU 67 Cb 0.23 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.42 1dub h GLU 67 CO -0.02 0.83 -0.72 0.93 -0.73 0.00 0.00 179.01 179.30 1dub h GLU 68 N 1.06 0.66 -0.21 1.92 5.08 -0.85 -1.93 114.58 120.30 1dub h GLU 68 Ca 0.26 -0.58 0.04 0.00 -1.00 0.00 0.00 59.36 58.08 1dub h GLU 68 Cb 0.12 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 1dub h GLU 68 CO -0.03 1.19 -0.04 1.25 -1.00 0.00 0.00 179.01 180.37 1dub h LEU 69 N 0.32 -0.17 -1.13 1.33 5.85 -0.57 0.91 115.31 121.85 1dub h LEU 69 Ca -0.06 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1dub h LEU 69 Cb 1.36 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.47 1dub h LEU 69 CO 0.15 -0.06 0.59 0.78 -0.34 0.00 0.00 178.44 179.56 1dub h ASN 70 N 0.01 1.01 -0.18 1.25 2.35 -0.82 -0.77 115.58 118.43 1dub h ASN 70 Ca 0.10 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 1dub h ASN 70 Cb 0.15 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1dub h ASN 70 CO -0.21 0.72 0.07 1.56 -1.65 0.00 0.00 177.43 177.92 1dub h GLN 71 N 1.18 0.27 -0.86 0.81 4.20 -0.44 -1.01 115.11 119.26 1dub h GLN 71 Ca 0.34 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 1dub h GLN 71 Cb -0.09 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.61 1dub h GLN 71 CO -0.08 0.36 0.52 0.00 -0.67 0.00 0.00 178.83 178.96 1dub h ALA 72 N 0.90 1.10 0.00 3.87 0.00 -0.50 -0.17 119.26 124.46 1dub h ALA 72 Ca 0.06 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1dub h ALA 72 Cb 0.20 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1dub h ALA 72 CO -0.00 0.57 -0.00 -0.07 0.00 0.00 0.00 179.25 179.74 1dub h LEU 73 N 1.19 -0.00 -1.31 0.00 3.38 -0.97 -0.79 115.31 116.81 1dub h LEU 73 Ca 0.31 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 58.20 1dub h LEU 73 Cb -0.04 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1dub h LEU 73 CO -0.06 0.11 0.49 -0.08 0.09 0.00 0.00 178.44 179.00 1dub h GLU 74 N -0.12 0.88 0.27 1.13 4.57 -0.88 0.90 114.58 121.34 1dub h GLU 74 Ca -0.00 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1dub h GLU 74 Cb 0.12 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 1dub h GLU 74 CO 0.00 0.58 -0.13 1.15 -1.18 0.00 0.00 179.01 179.43 1dub h THR 75 N 0.90 0.76 -0.10 0.32 2.02 -0.57 -0.80 112.91 115.44 1dub h THR 75 Ca 0.29 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1dub h THR 75 Cb 0.05 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 1dub h THR 75 CO -0.08 0.12 0.01 -0.26 0.37 0.00 0.00 175.52 175.68 1dub h PHE 76 N -0.70 0.13 -0.51 3.16 0.04 -0.96 -0.37 116.94 117.73 1dub h PHE 76 Ca -0.04 -0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.69 1dub h PHE 76 Cb 0.48 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.57 1dub h PHE 76 CO 0.02 0.13 0.14 1.49 -0.60 0.00 0.00 178.31 179.49 1dub h GLU 77 N 0.13 0.80 -0.00 1.51 4.57 -0.57 -2.58 114.58 118.45 1dub h GLU 77 Ca 0.03 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 1dub h GLU 77 Cb 0.08 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1dub h GLU 77 CO -0.00 0.76 -0.05 0.39 -1.18 0.00 0.00 179.01 178.93 1dub n GLU 78 N -4.46 0.80 -2.99 1.92 1.02 -0.33 -4.72 120.64 111.87 1dub n GLU 78 Ca 0.02 -0.20 -0.43 0.00 -0.02 0.00 0.00 57.16 56.52 1dub n GLU 78 Cb 0.21 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 30.08 1dub n GLU 78 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1dub s ASP 79 N -2.34 6.33 0.61 1.62 -1.08 -0.27 -4.92 116.67 116.62 1dub s ASP 79 Ca 0.34 -0.39 0.38 0.00 -0.52 0.00 0.00 52.55 52.36 1dub s ASP 79 Cb 0.21 -2.37 2.09 0.00 -1.46 0.00 0.00 42.92 41.38 1dub s ASP 79 CO 0.44 -0.98 2.17 -0.65 0.52 0.00 0.00 175.17 176.67 1dub h PRO 80 N 9.07 0.00 0.00 4.34 0.11 -1.84 0.16 132.00 143.83 1dub h PRO 80 Ca -0.26 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.82 1dub h PRO 80 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1dub h PRO 80 CO 0.99 0.00 -0.77 0.00 -0.21 0.00 0.00 178.00 178.01 1dub h ALA 81 N 1.87 0.66 -2.64 -0.75 0.00 -1.91 -3.45 119.26 113.05 1dub h ALA 81 Ca 0.00 -0.16 -0.58 0.00 0.00 0.00 0.00 54.91 54.17 1dub h ALA 81 Cb 0.12 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 1dub h ALA 81 CO 0.00 0.18 0.11 0.08 0.00 0.00 0.00 179.25 179.63 1dub s VAL 82 N -3.23 5.03 -0.16 0.00 1.01 0.56 -4.10 120.40 119.51 1dub s VAL 82 Ca 0.01 1.31 0.07 0.00 0.00 0.00 0.00 61.98 63.37 1dub s VAL 82 Cb 0.08 -3.99 -0.09 0.00 0.00 0.00 0.00 36.38 32.38 1dub s VAL 82 CO 0.76 0.18 0.22 0.61 0.00 0.00 0.00 175.10 176.86 1dub n GLY 83 N 3.44 0.03 3.39 4.51 0.00 -0.20 -4.86 105.19 111.50 1dub n GLY 83 Ca -0.01 -0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 1dub n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dub s ALA 84 N -2.06 -1.25 -0.04 4.61 0.00 -1.23 -4.20 121.76 117.60 1dub s ALA 84 Ca -0.00 1.15 0.03 0.00 0.00 0.00 0.00 51.96 53.15 1dub s ALA 84 Cb 0.05 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 1dub s ALA 84 CO 0.28 -0.27 -0.11 0.42 0.00 0.00 0.00 175.76 176.07 1dub s ILE 85 N -0.40 3.30 -0.18 0.00 1.01 -0.16 -1.60 121.20 123.17 1dub s ILE 85 Ca -0.05 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.88 1dub s ILE 85 Cb -0.03 -2.34 0.01 0.00 0.01 0.00 0.00 42.46 40.11 1dub s ILE 85 CO 0.03 0.53 -0.17 -0.69 0.00 0.00 0.00 174.94 174.65 1dub s VAL 86 N -0.82 2.35 -0.15 2.92 1.01 -0.25 -0.48 120.40 124.97 1dub s VAL 86 Ca 0.13 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 1dub s VAL 86 Cb -0.11 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 1dub s VAL 86 CO 0.02 0.52 0.03 -0.22 0.00 0.00 0.00 175.10 175.45 1dub s LEU 87 N 1.20 3.64 0.26 3.92 2.96 -0.15 -1.33 118.68 129.18 1dub s LEU 87 Ca 0.02 0.05 -0.10 0.00 -0.22 0.00 0.00 54.13 53.89 1dub s LEU 87 Cb -0.14 -1.89 -0.01 0.00 0.50 0.00 0.00 46.19 44.65 1dub s LEU 87 CO -0.08 0.22 0.44 0.28 -1.32 0.00 0.00 176.35 175.89 1dub s THR 88 N 0.06 0.00 0.00 3.68 -1.32 -0.53 -0.32 115.64 117.21 1dub s THR 88 Ca 0.03 -1.50 0.00 0.00 -1.21 0.00 0.00 61.69 59.01 1dub s THR 88 Cb -0.13 -2.34 0.00 0.00 -1.51 0.00 0.00 72.50 68.52 1dub s THR 88 CO 0.01 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.03 1dub n GLY 89 N -0.41 4.35 4.03 6.08 0.00 -1.26 -0.87 105.19 117.10 1dub n GLY 89 Ca -0.01 -0.82 -0.19 0.00 0.00 0.00 0.00 46.02 45.00 1dub n GLY 89 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dub s GLY 90 N 0.00 1.78 0.32 -0.02 0.00 0.11 -4.73 107.32 104.78 1dub s GLY 90 Ca 0.00 -2.00 0.02 0.00 0.00 0.00 0.00 44.72 42.74 1dub s GLY 90 CO 0.00 -1.60 1.87 -2.09 0.00 0.00 0.00 173.10 171.29 1dub h GLU 91 N 0.22 0.67 0.00 2.90 4.81 -1.98 -2.95 114.58 118.27 1dub h GLU 91 Ca -0.33 -0.13 -0.19 0.00 -0.13 0.00 0.00 59.36 58.59 1dub h GLU 91 Cb 1.29 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 1dub h GLU 91 CO 0.42 0.62 -1.26 -0.22 -0.73 0.00 0.00 179.01 177.84 1dub h LYS 92 N 0.65 0.00 -2.07 1.92 3.64 -1.95 -3.16 116.57 115.60 1dub h LYS 92 Ca 0.15 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1dub h LYS 92 Cb 0.27 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 31.87 1dub h LYS 92 CO -0.00 0.46 0.06 0.00 -2.27 0.00 0.00 179.45 177.70 1dub s ALA 93 N -2.83 -1.73 -0.10 5.00 0.00 -1.11 -1.75 121.76 119.24 1dub s ALA 93 Ca -0.02 2.07 -0.16 0.00 0.00 0.00 0.00 51.96 53.85 1dub s ALA 93 Cb 0.08 -1.21 -0.13 0.00 0.00 0.00 0.00 23.12 21.87 1dub s ALA 93 CO 0.80 -0.34 0.53 0.35 0.00 0.00 0.00 175.76 177.10 1dub h PHE 94 N 5.66 -0.08 -1.29 0.00 3.57 0.56 0.32 116.94 125.69 1dub h PHE 94 Ca -0.29 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.36 1dub h PHE 94 Cb 1.18 0.03 -0.29 0.00 2.79 0.00 0.00 35.95 39.66 1dub h PHE 94 CO 0.29 0.37 0.50 0.00 -2.23 0.00 0.00 178.31 177.24 1dub s ALA 95 N -2.85 -2.47 -2.23 2.41 0.00 -0.92 -4.40 121.76 111.29 1dub s ALA 95 Ca -0.10 2.11 0.26 0.00 0.00 0.00 0.00 51.96 54.23 1dub s ALA 95 Cb -0.01 -1.85 1.26 0.00 0.00 0.00 0.00 23.12 22.52 1dub s ALA 95 CO 0.37 -0.41 1.85 0.00 0.00 0.00 0.00 175.76 177.57 1dub n ALA 96 N 3.63 2.60 0.00 0.00 0.00 -0.39 -2.08 120.51 124.27 1dub n ALA 96 Ca -0.17 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1dub n ALA 96 Cb 0.57 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.74 1dub n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dub n GLY 97 N 1.06 0.66 3.89 0.00 0.00 -0.77 -4.57 105.19 105.45 1dub n GLY 97 Ca 0.19 -2.09 -0.30 0.00 0.00 0.00 0.00 46.02 43.83 1dub n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dub s ALA 98 N -1.43 3.00 -0.45 4.61 0.00 -1.26 -0.16 121.76 126.07 1dub s ALA 98 Ca 0.00 -0.36 -0.29 0.00 0.00 0.00 0.00 51.96 51.31 1dub s ALA 98 Cb 0.00 -2.96 0.03 0.00 0.00 0.00 0.00 23.12 20.18 1dub s ALA 98 CO 0.00 -1.00 1.10 0.34 0.00 0.00 0.00 175.76 176.20 1dub s ASP 99 N -4.32 6.66 0.31 0.00 -1.08 -1.18 -4.59 116.67 112.48 1dub s ASP 99 Ca 0.57 0.51 -0.01 0.00 -0.52 0.00 0.00 52.55 53.10 1dub s ASP 99 Cb -0.11 -2.54 0.48 0.00 -1.46 0.00 0.00 42.92 39.30 1dub s ASP 99 CO 0.51 -1.17 1.95 0.40 0.52 0.00 0.00 175.17 177.38 1dub h ILE 100 N 6.14 1.20 -0.78 4.11 2.04 -1.94 -2.41 117.51 125.87 1dub h ILE 100 Ca -0.23 -0.43 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 1dub h ILE 100 Cb 1.06 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 1dub h ILE 100 CO 1.10 0.21 0.36 0.11 0.00 0.00 0.00 178.15 179.93 1dub h LYS 101 N 1.00 1.12 0.00 2.37 1.57 -2.00 0.28 116.57 120.92 1dub h LYS 101 Ca 0.26 -0.17 -0.11 0.00 -1.87 0.00 0.00 60.65 58.77 1dub h LYS 101 Cb -0.05 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.04 1dub h LYS 101 CO -0.05 0.87 -0.52 0.93 -0.57 0.00 0.00 179.45 180.11 1dub h GLU 102 N 1.11 0.00 0.00 3.15 5.08 -1.87 -3.21 114.58 118.84 1dub h GLU 102 Ca 0.27 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.43 1dub h GLU 102 Cb 0.13 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 1dub h GLU 102 CO -0.03 0.52 -1.34 0.52 -1.00 0.00 0.00 179.01 177.68 1dub h MET 103 N 0.00 0.00 -1.20 2.33 2.86 -0.92 -3.40 114.93 114.60 1dub h MET 103 Ca -0.01 0.00 0.45 0.00 -2.06 0.00 0.00 59.70 58.08 1dub h MET 103 Cb 0.98 0.00 -0.16 0.00 0.06 0.00 0.00 31.60 32.48 1dub h MET 103 CO 0.07 0.41 0.72 0.37 1.06 0.00 0.00 176.91 179.54 1dub h GLN 104 N 0.00 0.01 -0.51 1.72 4.15 -0.47 -1.16 115.11 118.85 1dub h GLN 104 Ca -0.16 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.26 1dub h GLN 104 Cb 1.67 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.36 1dub h GLN 104 CO 0.06 0.01 0.00 0.09 -1.93 0.00 0.00 178.83 177.06 1dub n ASN 105 N -4.99 4.04 -4.80 -0.69 3.02 -1.26 -4.99 115.26 105.59 1dub n ASN 105 Ca 0.39 -2.38 -0.34 0.00 -0.03 0.00 0.00 54.58 52.22 1dub n ASN 105 Cb 1.43 -0.47 -0.04 0.00 -0.61 0.00 0.00 39.78 40.09 1dub n ASN 105 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1dub s ARG 106 N -1.70 3.86 0.54 3.52 1.81 -0.44 -5.07 118.95 121.47 1dub s ARG 106 Ca 0.42 1.34 0.05 0.00 -1.72 0.00 0.00 55.73 55.82 1dub s ARG 106 Cb 0.27 -2.12 0.03 0.00 -0.45 0.00 0.00 34.95 32.68 1dub s ARG 106 CO 0.20 -0.38 0.34 0.95 -0.68 0.00 0.00 175.30 175.73 1dub s THR 107 N -1.99 1.58 0.08 0.02 -4.23 -1.26 -4.99 115.64 104.85 1dub s THR 107 Ca 0.66 -1.57 -0.18 0.00 -1.18 0.00 0.00 61.69 59.42 1dub s THR 107 Cb -0.16 -2.15 -0.09 0.00 1.34 0.00 0.00 72.50 71.45 1dub s THR 107 CO 0.19 0.00 1.48 0.15 -0.54 0.00 0.00 174.62 175.91 1dub h PHE 108 N 0.84 0.54 0.00 3.99 3.57 -2.00 -1.71 116.94 122.18 1dub h PHE 108 Ca -0.38 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 60.97 1dub h PHE 108 Cb 1.30 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.91 1dub h PHE 108 CO 1.07 0.69 -0.19 1.96 -2.23 0.00 0.00 178.31 179.61 1dub h GLN 109 N 0.24 0.00 0.32 1.11 7.50 -1.99 -1.36 115.11 120.93 1dub h GLN 109 Ca 0.07 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.20 1dub h GLN 109 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.05 1dub h GLN 109 CO 0.02 0.19 -0.15 -0.44 -1.50 0.00 0.00 178.83 176.95 1dub h ASP 110 N 0.00 -0.36 -0.40 1.46 3.32 -1.81 -1.89 116.42 116.74 1dub h ASP 110 Ca -0.00 -0.16 0.07 0.00 0.02 0.00 0.00 57.03 56.96 1dub h ASP 110 Cb 0.43 0.09 -0.06 0.00 0.22 0.00 0.00 39.33 40.01 1dub h ASP 110 CO 0.02 -0.01 0.01 0.00 -1.72 0.00 0.00 179.24 177.55 1dub h TYR 112 N 0.12 -0.29 -0.39 0.00 3.20 -1.24 -0.81 116.97 117.55 1dub h TYR 112 Ca 0.20 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.12 1dub h TYR 112 Cb 0.28 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 1dub h TYR 112 CO -0.26 -0.18 0.27 0.77 -1.64 0.00 0.00 178.16 177.12 1dub h SER 113 N -0.42 0.26 -0.13 -2.11 0.02 -1.35 -1.14 113.55 108.67 1dub h SER 113 Ca -0.03 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1dub h SER 113 Cb 0.24 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1dub h SER 113 CO 0.05 0.17 0.00 0.61 -1.14 0.00 0.00 176.83 176.52 1dub n GLY 114 N -1.53 0.27 4.03 -3.77 0.00 0.16 -4.94 105.19 99.40 1dub n GLY 114 Ca 0.05 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 1dub n GLY 114 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1dub n LYS 115 N 0.33 -4.06 -1.52 1.61 5.02 -0.43 -4.82 118.16 114.29 1dub n LYS 115 Ca 0.17 0.47 -0.55 0.00 -2.02 0.00 0.00 58.31 56.37 1dub n LYS 115 Cb 0.35 -5.10 -0.07 0.00 -0.02 0.00 0.00 35.03 30.19 1dub n LYS 115 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1dub n PHE 116 N -4.48 0.80 -1.22 2.13 7.35 -0.43 -1.43 117.46 120.18 1dub n PHE 116 Ca -0.05 0.92 -0.08 0.00 -0.76 0.00 0.00 57.45 57.48 1dub n PHE 116 Cb 0.56 -2.15 -0.03 0.00 0.35 0.00 0.00 39.48 38.21 1dub n PHE 116 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1dub n LEU 117 N 1.83 -0.28 0.24 -2.13 4.77 -1.26 -4.93 117.00 115.23 1dub n LEU 117 Ca 0.19 0.19 0.07 0.00 -0.03 0.00 0.00 56.01 56.42 1dub n LEU 117 Cb 0.14 -1.90 0.56 0.00 -2.33 0.00 0.00 43.42 39.89 1dub n LEU 117 CO 0.61 -0.67 0.95 -1.28 -1.33 0.00 0.00 177.39 175.67 1dub h SER 118 N 0.00 0.00 0.08 -1.43 0.87 -1.59 -2.29 113.55 109.18 1dub h SER 118 Ca -0.15 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1dub h SER 118 Cb 0.76 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1dub h SER 118 CO 0.23 0.14 -0.09 1.41 -0.53 0.00 0.00 176.83 177.98 1dub n HIS 119 N -4.30 0.00 -0.33 2.24 8.25 -1.26 -4.24 115.22 115.58 1dub n HIS 119 Ca -0.03 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.40 1dub n HIS 119 Cb 0.21 -0.05 0.09 0.00 1.12 0.00 0.00 29.99 31.36 1dub n HIS 119 CO 0.00 0.00 0.00 -1.49 0.64 0.00 0.00 176.34 175.49 1dub h TRP 120 N 1.94 1.12 -0.94 4.41 4.06 -1.82 -2.94 115.95 121.79 1dub h TRP 120 Ca 0.00 0.02 -0.52 0.00 2.06 0.00 0.00 58.89 60.45 1dub h TRP 120 Cb 0.51 -0.38 -0.29 0.00 -1.00 0.00 0.00 29.16 28.00 1dub h TRP 120 CO 0.00 0.72 0.66 -0.40 -3.56 0.00 0.00 178.44 175.85 1dub n ASP 121 N -4.46 4.38 0.19 -3.49 5.68 -1.26 -4.37 116.55 113.22 1dub n ASP 121 Ca 0.10 -3.55 0.05 0.00 -0.50 0.00 0.00 54.79 50.88 1dub n ASP 121 Cb 0.02 -0.85 0.35 0.00 -1.14 0.00 0.00 41.12 39.50 1dub n ASP 121 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 1dub h HIS 122 N 1.11 0.00 -0.28 2.11 2.76 -1.79 -2.25 115.15 116.82 1dub h HIS 122 Ca 0.60 0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.85 1dub h HIS 122 Cb 2.43 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 31.38 1dub h HIS 122 CO 1.48 0.39 0.23 0.97 -1.30 0.00 0.00 177.93 179.70 1dub h ILE 123 N 0.00 0.68 0.00 6.26 2.10 -1.84 0.24 117.51 124.95 1dub h ILE 123 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1dub h ILE 123 Cb 0.83 0.83 0.00 0.00 -1.09 0.00 0.00 36.82 37.39 1dub h ILE 123 CO 0.05 0.00 0.00 0.35 -1.08 0.00 0.00 178.15 177.47 1dub n THR 124 N -4.17 0.00 0.40 2.19 -2.24 -0.85 -2.39 114.28 107.22 1dub n THR 124 Ca 0.04 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.92 1dub n THR 124 Cb 0.38 -0.59 -0.14 0.00 -2.10 0.00 0.00 70.33 67.88 1dub n THR 124 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1dub n ARG 125 N -0.98 0.40 -2.24 -0.78 1.74 0.86 -4.92 116.66 110.74 1dub n ARG 125 Ca 0.18 -0.11 -0.42 0.00 -0.77 0.00 0.00 57.85 56.73 1dub n ARG 125 Cb 0.08 -1.52 -0.03 0.00 -1.02 0.00 0.00 32.46 29.97 1dub n ARG 125 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1dub s ILE 126 N -3.31 3.46 -0.35 0.55 -1.09 -1.01 -4.92 121.20 114.53 1dub s ILE 126 Ca -0.01 1.07 0.23 0.00 -2.23 0.00 0.00 60.65 59.70 1dub s ILE 126 Cb 0.15 -3.68 -0.05 0.00 -1.58 0.00 0.00 42.46 37.29 1dub s ILE 126 CO 0.89 0.10 1.03 0.29 -1.23 0.00 0.00 174.94 176.01 1dub n LYS 127 N 3.73 0.50 -2.96 2.79 5.02 -1.26 -4.84 118.16 121.14 1dub n LYS 127 Ca 0.10 0.06 -0.39 0.00 -2.02 0.00 0.00 58.31 56.05 1dub n LYS 127 Cb 0.43 -1.73 -0.06 0.00 -0.02 0.00 0.00 35.03 33.66 1dub n LYS 127 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1dub s LYS 128 N -3.32 4.60 0.44 1.97 1.02 -1.26 -4.50 119.74 118.69 1dub s LYS 128 Ca 0.01 1.20 -0.25 0.00 0.02 0.00 0.00 55.97 56.94 1dub s LYS 128 Cb 0.12 -3.26 -0.09 0.00 -0.52 0.00 0.00 37.83 34.07 1dub s LYS 128 CO 0.79 0.56 1.35 -2.30 -0.92 0.00 0.00 175.35 174.84 1dub n PRO 129 N 1.59 2.08 -4.79 -1.68 -0.02 -1.26 -4.79 135.00 126.13 1dub n PRO 129 Ca -0.05 0.74 -0.31 0.00 -2.02 0.00 0.00 63.50 61.86 1dub n PRO 129 Cb 0.48 -2.50 -0.17 0.00 -0.02 0.00 0.00 33.50 31.30 1dub n PRO 129 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1dub s VAL 130 N -1.20 1.89 -0.17 -1.45 1.01 -1.26 -0.98 120.40 118.24 1dub s VAL 130 Ca 0.61 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 1dub s VAL 130 Cb -0.48 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 1dub s VAL 130 CO 0.58 0.52 -0.09 -0.63 0.00 0.00 0.00 175.10 175.48 1dub s ILE 131 N 0.69 3.22 -0.18 2.22 1.01 0.37 -1.12 121.20 127.41 1dub s ILE 131 Ca -0.11 -0.57 -0.17 0.00 0.00 0.00 0.00 60.65 59.79 1dub s ILE 131 Cb -0.16 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 1dub s ILE 131 CO 0.02 0.48 0.44 0.00 0.00 0.00 0.00 174.94 175.88 1dub s ALA 132 N 0.84 3.54 -0.72 9.38 0.00 0.04 -0.98 121.76 133.86 1dub s ALA 132 Ca -0.03 -0.41 -0.08 0.00 0.00 0.00 0.00 51.96 51.44 1dub s ALA 132 Cb -0.15 -2.67 0.19 0.00 0.00 0.00 0.00 23.12 20.49 1dub s ALA 132 CO 0.01 -0.25 0.59 0.00 0.00 0.00 0.00 175.76 176.11 1dub s ALA 133 N 1.20 3.82 -0.36 0.00 0.00 0.56 -0.41 121.76 126.57 1dub s ALA 133 Ca 0.22 -3.29 -0.23 0.00 0.00 0.00 0.00 51.96 48.66 1dub s ALA 133 Cb -0.15 -3.06 0.01 0.00 0.00 0.00 0.00 23.12 19.92 1dub s ALA 133 CO 0.09 -2.19 0.77 0.08 0.00 0.00 0.00 175.76 174.51 1dub s VAL 134 N 0.04 4.74 -0.07 0.00 1.01 -0.01 -4.29 120.40 121.82 1dub s VAL 134 Ca 0.17 0.86 0.04 0.00 0.00 0.00 0.00 61.98 63.05 1dub s VAL 134 Cb -0.16 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.00 1dub s VAL 134 CO -0.06 -0.43 -0.17 0.20 0.00 0.00 0.00 175.10 174.64 1dub s ASN 135 N 1.84 3.76 0.60 3.32 0.01 -1.26 0.03 114.94 123.24 1dub s ASN 135 Ca 0.31 -0.31 0.00 0.00 -0.71 0.00 0.00 52.86 52.15 1dub s ASN 135 Cb -0.13 -0.99 0.00 0.00 0.41 0.00 0.00 41.25 40.54 1dub s ASN 135 CO 0.17 0.28 0.00 0.61 -1.51 0.00 0.00 177.10 176.65 1dub n GLY 136 N 2.73 1.23 3.75 0.66 0.00 -1.20 -1.65 105.19 110.72 1dub n GLY 136 Ca -0.17 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.74 1dub n GLY 136 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dub s TYR 137 N 0.00 3.16 -0.42 1.61 2.02 -0.72 -0.76 117.35 122.24 1dub s TYR 137 Ca 0.00 1.28 0.04 0.00 -0.37 0.00 0.00 57.07 58.02 1dub s TYR 137 Cb 0.00 -3.65 0.17 0.00 -0.40 0.00 0.00 41.96 38.08 1dub s TYR 137 CO 0.00 -1.94 0.40 0.00 -1.57 0.00 0.00 175.55 172.43 1dub n ALA 138 N 1.86 2.21 -2.48 3.71 0.00 0.32 0.05 120.51 126.17 1dub n ALA 138 Ca 0.04 -2.82 -0.30 0.00 0.00 0.00 0.00 53.44 50.36 1dub n ALA 138 Cb 0.42 -0.85 -0.12 0.00 0.00 0.00 0.00 19.45 18.90 1dub n ALA 138 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1dub s LEU 139 N 0.15 2.65 0.00 0.00 1.43 -0.88 -2.52 118.68 119.51 1dub s LEU 139 Ca 0.33 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 52.86 1dub s LEU 139 Cb 0.04 -1.51 0.00 0.00 0.03 0.00 0.00 46.19 44.75 1dub s LEU 139 CO -0.18 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.20 1dub n GLY 140 N 0.90 3.38 0.38 -3.19 0.00 -0.23 -0.72 105.19 105.69 1dub n GLY 140 Ca -0.16 -0.05 0.20 0.00 0.00 0.00 0.00 46.02 46.00 1dub n GLY 140 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1dub h GLY 141 N 0.00 0.00 0.94 -0.02 0.00 -1.86 1.00 103.07 103.13 1dub h GLY 141 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 1dub h GLY 141 CO 0.00 0.00 -0.23 -1.33 0.00 0.00 0.00 176.54 174.98 1dub h GLY 142 N 0.00 0.72 0.89 4.60 0.00 -1.05 -0.38 103.07 107.84 1dub h GLY 142 Ca 0.17 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 46.76 1dub h GLY 142 CO -0.00 0.63 0.06 0.00 0.00 0.00 0.00 176.54 177.23 1dub h GLU 144 N 0.30 1.05 -0.38 0.00 5.08 -1.26 0.15 114.58 119.52 1dub h GLU 144 Ca 0.09 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1dub h GLU 144 Cb 0.31 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1dub h GLU 144 CO 0.00 0.69 0.09 1.25 -1.00 0.00 0.00 179.01 180.04 1dub h LEU 145 N 1.08 0.58 -0.88 1.33 5.85 -0.86 0.96 115.31 123.36 1dub h LEU 145 Ca 0.40 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 1dub h LEU 145 Cb 0.14 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1dub h LEU 145 CO -0.17 0.67 0.28 0.00 -0.34 0.00 0.00 178.44 178.88 1dub h ALA 146 N 0.93 1.11 0.00 1.25 0.00 -0.72 -2.30 119.26 119.53 1dub h ALA 146 Ca 0.12 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1dub h ALA 146 Cb 0.32 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1dub h ALA 146 CO 0.00 0.63 -0.33 0.52 0.00 0.00 0.00 179.25 180.07 1dub h MET 147 N 1.07 0.00 0.00 0.00 2.86 -0.21 -2.17 114.93 116.48 1dub h MET 147 Ca 0.24 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 1dub h MET 147 Cb 0.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.88 1dub h MET 147 CO -0.02 0.33 0.00 0.52 1.06 0.00 0.00 176.91 178.80 1dub h MET 148 N 0.00 0.00 -7.33 1.72 2.07 -0.24 -3.44 114.93 107.71 1dub h MET 148 Ca -0.00 0.00 -0.51 0.00 -2.07 0.00 0.00 59.70 57.12 1dub h MET 148 Cb 0.83 0.00 0.09 0.00 -1.87 0.00 0.00 31.60 30.65 1dub h MET 148 CO 0.04 0.00 0.37 0.00 1.07 0.00 0.00 176.91 178.39 1dub h ASP 150 N -0.61 0.96 -4.27 0.00 3.32 -1.40 -3.45 116.42 110.96 1dub h ASP 150 Ca -0.44 -0.55 -0.39 0.00 0.02 0.00 0.00 57.03 55.67 1dub h ASP 150 Cb 1.21 -0.28 -0.26 0.00 0.22 0.00 0.00 39.33 40.23 1dub h ASP 150 CO 0.57 1.33 -0.78 -0.63 -1.72 0.00 0.00 179.24 178.01 1dub s ILE 151 N -4.06 0.83 -0.10 0.35 1.01 -1.15 -5.04 121.20 113.03 1dub s ILE 151 Ca -0.11 -0.74 0.02 0.00 0.00 0.00 0.00 60.65 59.82 1dub s ILE 151 Cb 0.10 -0.76 0.01 0.00 0.01 0.00 0.00 42.46 41.82 1dub s ILE 151 CO 0.89 0.02 -0.18 -0.63 0.00 0.00 0.00 174.94 175.04 1dub s ILE 152 N -0.66 1.65 -0.06 2.92 1.01 -1.26 -0.78 121.20 124.02 1dub s ILE 152 Ca 0.00 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 59.92 1dub s ILE 152 Cb -0.06 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 1dub s ILE 152 CO 0.00 0.47 -0.09 -0.31 0.00 0.00 0.00 174.94 175.02 1dub s TYR 153 N 0.75 2.87 0.01 3.97 1.51 0.46 -1.65 117.35 125.27 1dub s TYR 153 Ca -0.11 -0.03 0.06 0.00 -1.01 0.00 0.00 57.07 55.98 1dub s TYR 153 Cb -0.16 -1.68 -0.02 0.00 -0.11 0.00 0.00 41.96 39.99 1dub s TYR 153 CO 0.02 0.30 -0.19 0.00 -1.11 0.00 0.00 175.55 174.57 1dub s ALA 154 N -0.81 1.56 0.66 3.71 0.00 -0.22 -0.83 121.76 125.82 1dub s ALA 154 Ca 0.13 -0.87 -0.13 0.00 0.00 0.00 0.00 51.96 51.09 1dub s ALA 154 Cb -0.11 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 1dub s ALA 154 CO 0.02 0.36 1.06 0.20 0.00 0.00 0.00 175.76 177.40 1dub s GLY 155 N -0.72 1.86 0.55 0.00 0.00 0.11 -0.28 107.32 108.83 1dub s GLY 155 Ca 0.07 0.23 0.23 0.00 0.00 0.00 0.00 44.72 45.25 1dub s GLY 155 CO 0.00 0.55 2.12 0.83 0.00 0.00 0.00 173.10 176.60 1dub h GLU 156 N -0.27 0.00 -0.70 2.90 5.08 -1.42 -0.95 114.58 119.22 1dub h GLU 156 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1dub h GLU 156 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1dub h GLU 156 CO 0.57 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.21 1dub n LYS 157 N -4.26 3.37 -1.96 2.33 4.76 -1.26 -4.62 118.16 116.52 1dub n LYS 157 Ca 0.01 -2.83 -0.35 0.00 -2.87 0.00 0.00 58.31 52.27 1dub n LYS 157 Cb 0.27 -1.78 0.03 0.00 -1.84 0.00 0.00 35.03 31.71 1dub n LYS 157 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1dub s ALA 158 N -1.52 2.53 -0.03 7.82 0.00 -0.36 -4.18 121.76 126.02 1dub s ALA 158 Ca 0.51 0.81 -0.01 0.00 0.00 0.00 0.00 51.96 53.27 1dub s ALA 158 Cb 0.31 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 20.06 1dub s ALA 158 CO 0.29 -1.14 0.06 -0.65 0.00 0.00 0.00 175.76 174.32 1dub s GLN 159 N -3.58 0.02 0.06 0.00 -0.21 0.06 -2.26 119.66 113.75 1dub s GLN 159 Ca 0.73 0.19 0.09 0.00 0.02 0.00 0.00 55.36 56.39 1dub s GLN 159 Cb -0.25 -0.15 -0.03 0.00 1.00 0.00 0.00 33.01 33.58 1dub s GLN 159 CO 0.34 -0.12 -0.24 -0.06 -2.12 0.00 0.00 175.29 173.10 1dub s PHE 160 N 0.78 2.40 -0.08 0.91 0.40 -0.33 -0.53 117.98 121.53 1dub s PHE 160 Ca -0.06 -0.36 -0.32 0.00 -0.60 0.00 0.00 56.93 55.59 1dub s PHE 160 Cb -0.09 -1.39 0.12 0.00 0.51 0.00 0.00 43.02 42.18 1dub s PHE 160 CO -0.03 0.21 1.22 0.20 0.70 0.00 0.00 175.22 177.52 1dub s GLY 161 N -1.46 -0.36 -0.56 4.36 0.00 -1.05 -0.12 107.32 108.13 1dub s GLY 161 Ca 0.13 1.05 0.05 0.00 0.00 0.00 0.00 44.72 45.95 1dub s GLY 161 CO 0.04 0.29 0.43 -1.06 0.00 0.00 0.00 173.10 172.80 1dub n GLN 162 N -0.31 1.05 0.00 2.90 1.13 -1.26 -1.07 117.38 119.81 1dub n GLN 162 Ca -0.05 -3.85 0.00 0.00 -1.94 0.00 0.00 57.00 51.16 1dub n GLN 162 Cb 0.61 -1.98 0.01 0.00 0.11 0.00 0.00 30.24 28.99 1dub n GLN 162 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1dub n PRO 163 N 2.33 0.89 -0.07 -1.09 -0.04 -1.26 -4.22 135.00 131.55 1dub n PRO 163 Ca 0.25 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.87 1dub n PRO 163 Cb 0.42 -1.00 0.58 0.00 -0.04 0.00 0.00 33.50 33.46 1dub n PRO 163 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1dub h GLU 164 N 0.00 0.22 -0.05 0.54 3.07 -1.90 -0.10 114.58 116.37 1dub h GLU 164 Ca 0.00 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.80 1dub h GLU 164 Cb 0.00 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 1dub h GLU 164 CO 0.00 0.15 -0.18 0.97 -1.40 0.00 0.00 179.01 178.55 1dub h ILE 165 N 0.23 1.15 0.00 3.13 6.09 -1.61 -0.90 117.51 125.60 1dub h ILE 165 Ca 0.29 -0.70 0.00 0.00 -1.37 0.00 0.00 64.86 63.08 1dub h ILE 165 Cb 0.83 1.32 0.00 0.00 0.47 0.00 0.00 36.82 39.43 1dub h ILE 165 CO -0.06 0.21 0.00 -0.07 -3.07 0.00 0.00 178.15 175.16 1dub h LEU 166 N 0.07 0.00 -2.19 2.19 3.38 -1.27 -2.34 115.31 115.14 1dub h LEU 166 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1dub h LEU 166 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1dub h LEU 166 CO 0.02 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.73 1dub n LEU 167 N -2.42 3.05 0.00 1.67 4.77 -0.44 -4.95 117.00 118.68 1dub n LEU 167 Ca 0.02 -1.42 0.00 0.00 -0.03 0.00 0.00 56.01 54.58 1dub n LEU 167 Cb 0.26 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1dub n LEU 167 CO 0.22 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 1dub n GLY 168 N 1.18 0.39 3.10 -0.72 0.00 -0.88 -5.03 105.19 103.23 1dub n GLY 168 Ca 0.15 -1.05 -0.20 0.00 0.00 0.00 0.00 46.02 44.92 1dub n GLY 168 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1dub n THR 169 N -3.11 0.00 -4.49 2.61 5.66 -0.65 -5.02 114.28 109.28 1dub n THR 169 Ca 0.00 -2.33 -0.24 0.00 -3.05 0.00 0.00 64.05 58.43 1dub n THR 169 Cb 0.07 1.12 -0.10 0.00 -1.55 0.00 0.00 70.33 69.86 1dub n THR 169 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 1dub s ILE 170 N -3.26 2.03 0.29 1.09 -4.36 -1.26 -2.19 121.20 113.54 1dub s ILE 170 Ca 0.36 -2.19 -0.30 0.00 -0.26 0.00 0.00 60.65 58.26 1dub s ILE 170 Cb 0.02 -2.54 -0.12 0.00 1.25 0.00 0.00 42.46 41.07 1dub s ILE 170 CO 0.25 -0.26 1.49 -2.65 0.24 0.00 0.00 174.94 174.01 1dub n PRO 171 N -0.70 2.43 -0.10 0.37 -0.02 -1.26 -4.90 135.00 130.83 1dub n PRO 171 Ca -0.05 0.86 0.04 0.00 -2.02 0.00 0.00 63.50 62.33 1dub n PRO 171 Cb 0.63 -2.58 0.09 0.00 -0.02 0.00 0.00 33.50 31.62 1dub n PRO 171 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dub n GLY 172 N 1.82 3.36 2.73 -1.23 0.00 -1.26 -4.67 105.19 105.95 1dub n GLY 172 Ca 0.08 -0.38 -0.05 0.00 0.00 0.00 0.00 46.02 45.67 1dub n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dub n ALA 173 N -0.41 3.08 -0.40 4.61 0.00 -1.26 -4.96 120.51 121.17 1dub n ALA 173 Ca 0.08 -2.98 0.00 0.00 0.00 0.00 0.00 53.44 50.54 1dub n ALA 173 Cb 0.42 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1dub n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dub n GLY 174 N -0.32 0.80 0.20 0.00 0.00 -1.26 -4.81 105.19 99.80 1dub n GLY 174 Ca 0.09 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.12 1dub n GLY 174 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1dub h GLY 175 N 0.00 0.00 0.65 -0.02 0.00 -1.93 0.14 103.07 101.92 1dub h GLY 175 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1dub h GLY 175 CO 0.00 0.00 -0.47 -1.30 0.00 0.00 0.00 176.54 174.77 1dub n THR 176 N -3.48 0.00 -0.07 4.70 -2.24 -1.26 -4.01 114.28 107.93 1dub n THR 176 Ca -0.00 -0.04 -0.10 0.00 -2.27 0.00 0.00 64.05 61.63 1dub n THR 176 Cb 0.49 0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 69.07 1dub n THR 176 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dub n GLN 177 N -1.23 0.40 0.12 -0.78 1.13 -0.68 -4.19 117.38 112.14 1dub n GLN 177 Ca 0.07 0.16 -0.03 0.00 -1.94 0.00 0.00 57.00 55.27 1dub n GLN 177 Cb 0.34 -1.19 0.14 0.00 0.11 0.00 0.00 30.24 29.65 1dub n GLN 177 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1dub h ARG 178 N -0.73 0.06 0.31 -1.09 3.08 -1.01 -1.98 114.38 113.02 1dub h ARG 178 Ca -0.13 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 1dub h ARG 178 Cb 0.91 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1dub h ARG 178 CO -0.08 0.68 -0.15 1.25 -1.07 0.00 0.00 179.97 180.60 1dub h LEU 179 N 0.04 -0.35 -0.68 3.04 5.85 -1.69 -2.38 115.31 119.14 1dub h LEU 179 Ca -0.01 -0.16 0.11 0.00 0.84 0.00 0.00 57.88 58.66 1dub h LEU 179 Cb 1.13 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 42.17 1dub h LEU 179 CO 0.09 -0.00 0.27 0.74 -0.34 0.00 0.00 178.44 179.19 1dub h THR 180 N -0.74 0.74 0.00 1.05 2.02 -1.71 0.19 112.91 114.46 1dub h THR 180 Ca -0.04 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 66.96 1dub h THR 180 Cb 0.50 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1dub h THR 180 CO 0.07 0.08 -0.12 0.03 0.37 0.00 0.00 175.52 175.96 1dub h ARG 181 N 0.45 0.00 0.01 6.66 3.08 -1.32 -0.49 114.38 122.77 1dub h ARG 181 Ca 0.35 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 60.03 1dub h ARG 181 Cb 0.46 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.44 1dub h ARG 181 CO -0.33 0.12 -2.32 0.00 -1.07 0.00 0.00 179.97 176.36 1dub n ALA 182 N -2.22 1.42 -0.02 0.04 0.00 -0.11 -4.68 120.51 114.95 1dub n ALA 182 Ca -0.01 -1.13 0.07 0.00 0.00 0.00 0.00 53.44 52.37 1dub n ALA 182 Cb 0.28 -0.26 -0.14 0.00 0.00 0.00 0.00 19.45 19.33 1dub n ALA 182 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1dub n VAL 183 N -3.03 0.14 0.00 0.00 0.31 0.47 -4.50 118.33 111.72 1dub n VAL 183 Ca -0.36 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.52 1dub n VAL 183 Cb 1.08 0.01 0.00 0.00 -0.91 0.00 0.00 33.84 34.01 1dub n VAL 183 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1dub n GLY 184 N 1.54 2.42 0.24 2.92 0.00 -0.20 -4.63 105.19 107.48 1dub n GLY 184 Ca -0.06 -1.87 -0.06 0.00 0.00 0.00 0.00 46.02 44.03 1dub n GLY 184 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1dub h LYS 185 N 0.00 0.79 0.34 1.61 3.64 -1.95 -1.50 116.57 119.50 1dub h LYS 185 Ca 0.00 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1dub h LYS 185 Cb 0.00 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1dub h LYS 185 CO 0.00 0.53 -0.16 1.03 -2.27 0.00 0.00 179.45 178.58 1dub h SER 186 N 0.80 -0.39 -0.30 4.20 0.87 -1.96 0.18 113.55 116.95 1dub h SER 186 Ca 0.22 -0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.70 1dub h SER 186 Cb -0.08 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1dub h SER 186 CO -0.05 -0.23 -0.02 0.25 -0.53 0.00 0.00 176.83 176.26 1dub h LEU 187 N -0.51 0.54 -0.06 2.23 5.85 -1.82 -0.69 115.31 120.86 1dub h LEU 187 Ca -0.05 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.38 1dub h LEU 187 Cb 0.39 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 1dub h LEU 187 CO 0.08 0.73 -0.14 0.00 -0.34 0.00 0.00 178.44 178.77 1dub h ALA 188 N 0.83 -0.12 -0.77 1.25 0.00 -1.23 0.12 119.26 119.35 1dub h ALA 188 Ca 0.08 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1dub h ALA 188 Cb 0.46 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 1dub h ALA 188 CO 0.02 -0.62 0.47 0.52 0.00 0.00 0.00 179.25 179.64 1dub h MET 189 N -0.21 0.85 -0.44 0.00 2.86 -0.54 1.00 114.93 118.45 1dub h MET 189 Ca 0.07 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 1dub h MET 189 Cb 0.30 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 1dub h MET 189 CO -0.18 0.56 0.18 1.49 1.06 0.00 0.00 176.91 180.02 1dub h GLU 190 N 0.87 0.66 -0.26 1.72 4.81 -0.37 -0.38 114.58 121.62 1dub h GLU 190 Ca 0.33 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.38 1dub h GLU 190 Cb 0.13 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1dub h GLU 190 CO -0.16 0.59 -0.10 0.52 -0.73 0.00 0.00 179.01 179.14 1dub h MET 191 N 0.57 0.53 -0.15 1.92 2.86 -0.10 -1.58 114.93 118.98 1dub h MET 191 Ca 0.15 -0.22 -0.18 0.00 -2.06 0.00 0.00 59.70 57.39 1dub h MET 191 Cb 0.18 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 1dub h MET 191 CO -0.01 0.76 -0.65 0.28 1.06 0.00 0.00 176.91 178.35 1dub h VAL 192 N 0.26 1.33 0.03 -2.22 2.07 -0.80 -0.56 116.25 116.36 1dub h VAL 192 Ca 0.06 -1.94 -0.24 0.00 0.82 0.00 0.00 66.70 65.40 1dub h VAL 192 Cb 0.59 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 32.25 1dub h VAL 192 CO 0.03 0.60 -1.22 -0.07 0.02 0.00 0.00 177.57 176.94 1dub h LEU 193 N 0.41 0.10 0.00 2.57 3.38 -1.09 -3.38 115.31 117.30 1dub h LEU 193 Ca -0.02 -0.12 -0.31 0.00 0.09 0.00 0.00 57.88 57.52 1dub h LEU 193 Cb 1.23 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.89 1dub h LEU 193 CO 0.12 1.09 -2.26 0.35 0.09 0.00 0.00 178.44 177.84 1dub n THR 194 N -3.33 1.24 -0.58 0.22 -2.24 -0.60 -4.97 114.28 104.02 1dub n THR 194 Ca -0.06 -0.81 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 1dub n THR 194 Cb 0.98 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1dub n THR 194 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dub n GLY 195 N 1.67 0.77 3.73 3.38 0.00 -0.22 -4.85 105.19 109.67 1dub n GLY 195 Ca -0.28 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 1dub n GLY 195 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dub s ASP 196 N -2.77 4.35 0.12 1.61 1.01 -1.24 -4.28 116.67 115.47 1dub s ASP 196 Ca 0.00 2.28 0.02 0.00 0.71 0.00 0.00 52.55 55.57 1dub s ASP 196 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 1dub s ASP 196 CO 0.00 -2.15 0.20 -0.13 0.21 0.00 0.00 175.17 173.30 1dub s ARG 197 N -3.95 3.24 0.20 8.23 0.52 -1.26 -4.37 118.95 121.55 1dub s ARG 197 Ca 0.73 -0.63 0.11 0.00 -0.52 0.00 0.00 55.73 55.42 1dub s ARG 197 Cb -0.27 -2.88 -0.04 0.00 0.52 0.00 0.00 34.95 32.27 1dub s ARG 197 CO 0.45 0.54 -0.22 0.96 0.02 0.00 0.00 175.30 177.05 1dub s ILE 198 N -1.63 2.49 0.90 1.52 -4.36 0.82 -4.94 121.20 115.99 1dub s ILE 198 Ca 0.33 -1.99 -0.14 0.00 -0.26 0.00 0.00 60.65 58.59 1dub s ILE 198 Cb -0.11 -2.20 0.16 0.00 1.25 0.00 0.00 42.46 41.55 1dub s ILE 198 CO 0.26 -0.13 1.26 -0.94 0.24 0.00 0.00 174.94 175.63 1dub s SER 199 N -2.73 3.63 0.17 4.36 1.04 -1.26 -1.19 113.70 117.71 1dub s SER 199 Ca 0.22 0.41 -0.14 0.00 0.48 0.00 0.00 55.95 56.92 1dub s SER 199 Cb -0.08 -0.62 0.06 0.00 0.10 0.00 0.00 66.02 65.49 1dub s SER 199 CO 0.11 -2.42 1.78 0.00 0.98 0.00 0.00 173.24 173.69 1dub h ALA 200 N -1.40 0.68 -0.48 5.32 0.00 -1.71 -0.35 119.26 121.32 1dub h ALA 200 Ca -0.45 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 1dub h ALA 200 Cb 1.27 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1dub h ALA 200 CO 0.47 0.20 0.23 1.96 0.00 0.00 0.00 179.25 182.11 1dub h GLN 201 N 0.72 0.70 -0.80 0.00 7.50 -1.89 0.40 115.11 121.74 1dub h GLN 201 Ca 0.19 -0.11 -0.03 0.00 0.50 0.00 0.00 58.65 59.21 1dub h GLN 201 Cb 0.04 -0.12 -0.04 0.00 0.05 0.00 0.00 27.48 27.41 1dub h GLN 201 CO -0.03 0.59 0.40 -0.44 -1.50 0.00 0.00 178.83 177.85 1dub h ASP 202 N 0.64 1.04 -0.57 1.46 3.32 -1.80 0.44 116.42 120.95 1dub h ASP 202 Ca 0.17 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 1dub h ASP 202 Cb 0.13 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 1dub h ASP 202 CO -0.02 0.88 0.27 0.00 -1.72 0.00 0.00 179.24 178.65 1dub h ALA 203 N 1.21 0.74 -0.12 3.45 0.00 -0.50 -0.83 119.26 123.21 1dub h ALA 203 Ca 0.28 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1dub h ALA 203 Cb 0.10 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1dub h ALA 203 CO -0.04 0.31 -0.18 -0.22 0.00 0.00 0.00 179.25 179.12 1dub h LYS 204 N 0.78 0.34 -0.82 0.00 3.64 -0.56 0.17 116.57 120.12 1dub h LYS 204 Ca 0.20 -0.20 0.13 0.00 -1.27 0.00 0.00 60.65 59.51 1dub h LYS 204 Cb 0.12 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 31.87 1dub h LYS 204 CO -0.02 0.78 0.42 1.96 -2.27 0.00 0.00 179.45 180.31 1dub h GLN 205 N -0.07 0.60 0.00 1.90 4.20 -0.78 0.19 115.11 121.15 1dub h GLN 205 Ca 0.01 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1dub h GLN 205 Cb 0.74 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1dub h GLN 205 CO 0.04 0.40 0.00 0.00 -0.67 0.00 0.00 178.83 178.60 1dub n ALA 206 N -2.43 2.35 -0.71 3.87 0.00 -0.33 -4.94 120.51 118.33 1dub n ALA 206 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1dub n ALA 206 Cb 0.40 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1dub n ALA 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dub n GLY 207 N 1.43 0.63 0.19 0.00 0.00 0.05 -4.18 105.19 103.32 1dub n GLY 207 Ca 0.08 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 1dub n GLY 207 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1dub h LEU 208 N 0.00 0.65 -8.66 0.99 5.85 -0.93 -3.45 115.31 109.76 1dub h LEU 208 Ca 0.00 -0.43 -0.52 0.00 0.84 0.00 0.00 57.88 57.78 1dub h LEU 208 Cb 0.00 -0.19 -0.21 0.00 0.37 0.00 0.00 40.66 40.63 1dub h LEU 208 CO 0.00 1.19 -0.80 0.68 -0.34 0.00 0.00 178.44 179.16 1dub s VAL 209 N -3.67 1.61 -0.93 1.05 -7.23 -1.16 -4.67 120.40 105.42 1dub s VAL 209 Ca -0.07 -1.61 0.18 0.00 -1.81 0.00 0.00 61.98 58.67 1dub s VAL 209 Cb 0.10 -1.55 -0.18 0.00 0.56 0.00 0.00 36.38 35.31 1dub s VAL 209 CO 0.86 -0.17 0.79 -1.54 -0.31 0.00 0.00 175.10 174.73 1dub n SER 210 N 0.89 0.93 -3.69 4.85 3.41 -0.66 -4.23 113.62 115.12 1dub n SER 210 Ca -0.18 -0.97 -0.14 0.00 -0.26 0.00 0.00 58.87 57.32 1dub n SER 210 Cb 0.55 0.96 -0.08 0.00 -0.26 0.00 0.00 64.21 65.37 1dub n SER 210 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1dub s LYS 211 N -2.68 0.70 -0.07 4.33 2.47 -1.25 -5.08 119.74 118.17 1dub s LYS 211 Ca 0.08 0.35 0.05 0.00 -1.56 0.00 0.00 55.97 54.89 1dub s LYS 211 Cb 0.14 0.33 -0.01 0.00 -1.46 0.00 0.00 37.83 36.82 1dub s LYS 211 CO 0.73 -0.15 -0.23 0.42 0.16 0.00 0.00 175.35 176.27 1dub s ILE 212 N -0.48 2.22 0.08 5.43 1.01 -1.26 -1.06 121.20 127.14 1dub s ILE 212 Ca -0.06 -1.00 0.02 0.00 0.00 0.00 0.00 60.65 59.61 1dub s ILE 212 Cb -0.03 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.58 1dub s ILE 212 CO 0.04 0.57 -0.08 -0.36 0.00 0.00 0.00 174.94 175.11 1dub s PHE 213 N -0.13 0.83 0.43 3.97 0.08 0.61 -4.94 117.98 118.83 1dub s PHE 213 Ca -0.04 -0.71 -0.24 0.00 0.12 0.00 0.00 56.93 56.05 1dub s PHE 213 Cb -0.14 -0.48 -0.10 0.00 -0.57 0.00 0.00 43.02 41.73 1dub s PHE 213 CO 0.04 -0.10 1.16 -2.30 -0.10 0.00 0.00 175.22 173.92 1dub n PRO 214 N 0.66 1.64 -0.31 0.24 -0.02 -1.26 -1.16 135.00 134.78 1dub n PRO 214 Ca -0.17 0.59 0.16 0.00 -2.02 0.00 0.00 63.50 62.05 1dub n PRO 214 Cb 0.58 -2.24 0.34 0.00 -0.02 0.00 0.00 33.50 32.15 1dub n PRO 214 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1dub h VAL 215 N 1.76 0.37 -0.22 -1.45 2.07 -1.93 0.14 116.25 117.00 1dub h VAL 215 Ca -0.47 -0.11 -0.20 0.00 0.82 0.00 0.00 66.70 66.75 1dub h VAL 215 Cb 1.32 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1dub h VAL 215 CO 0.58 0.06 -0.64 -0.33 0.02 0.00 0.00 177.57 177.25 1dub h GLU 216 N 0.31 0.79 -0.01 1.57 3.07 -2.02 -3.26 114.58 115.04 1dub h GLU 216 Ca 0.60 -0.56 0.00 0.00 -0.50 0.00 0.00 59.36 58.90 1dub h GLU 216 Cb 1.23 0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.23 1dub h GLU 216 CO -0.60 1.18 -0.25 0.25 -1.40 0.00 0.00 179.01 178.19 1dub n THR 217 N -3.97 0.00 0.01 1.13 -2.24 -0.71 -4.61 114.28 103.89 1dub n THR 217 Ca -0.05 -0.20 -0.10 0.00 -2.27 0.00 0.00 64.05 61.43 1dub n THR 217 Cb 0.68 0.67 -0.06 0.00 -2.10 0.00 0.00 70.33 69.51 1dub n THR 217 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1dub h LEU 218 N 1.86 -1.07 -1.15 3.22 5.85 -1.04 0.10 115.31 123.08 1dub h LEU 218 Ca 0.00 0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.89 1dub h LEU 218 Cb 0.59 0.41 -0.05 0.00 0.37 0.00 0.00 40.66 41.98 1dub h LEU 218 CO 0.00 -0.31 0.58 0.58 -0.34 0.00 0.00 178.44 178.95 1dub h VAL 219 N -0.39 1.11 -0.31 1.05 2.07 -1.82 0.76 116.25 118.72 1dub h VAL 219 Ca 0.01 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1dub h VAL 219 Cb 0.44 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 1dub h VAL 219 CO -0.25 0.19 0.20 -0.08 0.02 0.00 0.00 177.57 177.65 1dub h GLU 220 N 1.07 0.41 -0.47 1.57 4.81 -1.79 0.21 114.58 120.38 1dub h GLU 220 Ca 0.37 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.50 1dub h GLU 220 Cb 0.10 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1dub h GLU 220 CO -0.12 0.29 0.03 0.93 -0.73 0.00 0.00 179.01 179.40 1dub h GLU 221 N 0.41 0.76 -0.46 1.92 4.39 0.07 -1.08 114.58 120.61 1dub h GLU 221 Ca 0.11 -0.19 -0.14 0.00 0.34 0.00 0.00 59.36 59.49 1dub h GLU 221 Cb -0.03 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 1dub h GLU 221 CO -0.02 0.75 -0.25 0.00 -1.16 0.00 0.00 179.01 178.33 1dub h ALA 222 N 1.31 0.68 -0.57 3.43 0.00 -0.49 -2.53 119.26 121.09 1dub h ALA 222 Ca 0.15 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1dub h ALA 222 Cb 0.40 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1dub h ALA 222 CO 0.01 0.67 0.17 0.82 0.00 0.00 0.00 179.25 180.93 1dub h ILE 223 N 0.83 1.22 -0.82 0.00 2.04 -0.37 0.22 117.51 120.62 1dub h ILE 223 Ca 0.10 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 1dub h ILE 223 Cb 0.83 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 1dub h ILE 223 CO 0.07 0.30 0.43 1.56 0.00 0.00 0.00 178.15 180.51 1dub h GLN 224 N 0.84 1.16 0.01 2.37 4.20 -0.99 0.32 115.11 123.01 1dub h GLN 224 Ca 0.19 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 1dub h GLN 224 Cb 0.26 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1dub h GLN 224 CO -0.01 0.86 -0.00 0.00 -0.67 0.00 0.00 178.83 179.01 1dub h ALA 226 N 0.62 2.05 0.13 0.00 0.00 -0.26 -1.13 119.26 120.68 1dub h ALA 226 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1dub h ALA 226 Cb 0.36 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1dub h ALA 226 CO 0.00 -0.14 -0.06 1.49 0.00 0.00 0.00 179.25 180.54 1dub h GLU 227 N 0.25 -0.17 -0.70 0.00 4.81 -0.12 0.14 114.58 118.78 1dub h GLU 227 Ca 0.18 0.01 0.13 0.00 -0.13 0.00 0.00 59.36 59.55 1dub h GLU 227 Cb 0.39 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.71 1dub h GLU 227 CO -0.03 0.21 0.23 0.87 -0.73 0.00 0.00 179.01 179.56 1dub h LYS 228 N -0.59 0.36 -0.34 1.92 1.57 -0.20 0.18 116.57 119.47 1dub h LYS 228 Ca -0.02 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1dub h LYS 228 Cb 0.46 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1dub h LYS 228 CO 0.03 0.24 0.08 0.82 -0.57 0.00 0.00 179.45 180.05 1dub h ILE 229 N 0.37 1.22 -0.03 1.86 2.04 -1.04 -2.36 117.51 119.56 1dub h ILE 229 Ca 0.38 -0.75 0.01 0.00 1.00 0.00 0.00 64.86 65.50 1dub h ILE 229 Cb 0.58 1.07 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1dub h ILE 229 CO -0.41 0.25 0.03 0.00 0.00 0.00 0.00 178.15 178.01 1dub h ALA 230 N 0.92 1.99 -0.44 1.87 0.00 0.87 -2.11 119.26 122.37 1dub h ALA 230 Ca 0.11 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1dub h ALA 230 Cb 0.30 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1dub h ALA 230 CO 0.00 -0.04 0.13 -0.91 0.00 0.00 0.00 179.25 178.43 1dub h ASN 231 N 0.00 0.59 -4.53 0.00 2.35 -0.16 -3.45 115.58 110.38 1dub h ASN 231 Ca 0.02 -0.08 -0.47 0.00 -0.55 0.00 0.00 56.30 55.22 1dub h ASN 231 Cb 0.07 -0.15 0.10 0.00 0.05 0.00 0.00 38.32 38.39 1dub h ASN 231 CO -0.00 0.57 0.39 0.20 -1.65 0.00 0.00 177.43 176.94 1dub s ASN 232 N -6.65 4.40 0.23 5.81 0.01 -0.79 -4.78 114.94 113.16 1dub s ASN 232 Ca -0.09 0.86 -0.32 0.00 -0.71 0.00 0.00 52.86 52.60 1dub s ASN 232 Cb 0.16 -1.39 -0.13 0.00 0.41 0.00 0.00 41.25 40.30 1dub s ASN 232 CO 0.77 -1.98 1.58 -0.24 -1.51 0.00 0.00 177.10 175.72 1dub n SER 233 N -3.38 3.47 0.05 -1.22 2.88 -1.26 -4.88 113.62 109.27 1dub n SER 233 Ca 0.08 1.11 -0.07 0.00 -1.33 0.00 0.00 58.87 58.66 1dub n SER 233 Cb 0.60 -1.51 0.10 0.00 -0.75 0.00 0.00 64.21 62.65 1dub n SER 233 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1dub h LYS 234 N 5.38 0.39 -0.28 -1.46 1.57 -1.89 -1.35 116.57 118.93 1dub h LYS 234 Ca -0.45 -0.25 -0.09 0.00 -1.87 0.00 0.00 60.65 57.99 1dub h LYS 234 Cb 1.24 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 1dub h LYS 234 CO 0.84 0.85 -0.19 0.97 -0.57 0.00 0.00 179.45 181.35 1dub h ILE 235 N 0.30 1.30 -0.37 1.86 2.10 -1.90 -1.59 117.51 119.21 1dub h ILE 235 Ca 0.00 -1.32 -0.07 0.00 1.08 0.00 0.00 64.86 64.55 1dub h ILE 235 Cb 1.08 1.55 -0.01 0.00 -1.09 0.00 0.00 36.82 38.35 1dub h ILE 235 CO 0.10 0.42 -0.05 0.40 -1.08 0.00 0.00 178.15 177.93 1dub h ILE 236 N 0.35 1.27 -0.81 2.19 1.08 -1.94 -1.69 117.51 117.96 1dub h ILE 236 Ca 0.05 -1.09 0.01 0.00 -0.39 0.00 0.00 64.86 63.45 1dub h ILE 236 Cb 0.73 1.24 -0.04 0.00 -3.07 0.00 0.00 36.82 35.67 1dub h ILE 236 CO 0.05 0.36 0.54 0.58 -0.69 0.00 0.00 178.15 178.99 1dub h VAL 237 N 0.49 1.20 -0.21 1.67 2.07 -1.20 0.42 116.25 120.68 1dub h VAL 237 Ca 0.10 -0.37 -0.12 0.00 0.82 0.00 0.00 66.70 67.12 1dub h VAL 237 Cb 0.54 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1dub h VAL 237 CO 0.03 0.20 -0.39 0.00 0.02 0.00 0.00 177.57 177.42 1dub h ALA 238 N 1.50 0.92 -0.25 1.67 0.00 -0.97 -1.44 119.26 120.69 1dub h ALA 238 Ca 0.30 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1dub h ALA 238 Cb -0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1dub h ALA 238 CO -0.07 0.63 -0.12 0.52 0.00 0.00 0.00 179.25 180.21 1dub h MET 239 N 0.41 0.52 -0.38 0.00 2.07 -0.30 -2.07 114.93 115.17 1dub h MET 239 Ca 0.04 -0.23 0.02 0.00 -2.07 0.00 0.00 59.70 57.46 1dub h MET 239 Cb 0.87 -0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 30.56 1dub h MET 239 CO 0.07 0.78 0.22 0.00 1.07 0.00 0.00 176.91 179.06 1dub h ALA 240 N 0.72 0.48 -0.75 6.32 0.00 -0.78 -0.45 119.26 124.80 1dub h ALA 240 Ca 0.05 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1dub h ALA 240 Cb 0.63 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1dub h ALA 240 CO 0.04 -0.12 0.23 -0.22 0.00 0.00 0.00 179.25 179.18 1dub h LYS 241 N 0.45 1.16 -0.09 0.00 3.64 -1.29 -0.38 116.57 120.07 1dub h LYS 241 Ca 0.15 -0.25 -0.09 0.00 -1.27 0.00 0.00 60.65 59.18 1dub h LYS 241 Cb 0.01 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1dub h LYS 241 CO -0.07 0.99 -0.37 1.49 -2.27 0.00 0.00 179.45 179.22 1dub h GLU 242 N 1.11 0.19 -0.09 1.90 4.81 -0.83 -1.45 114.58 120.23 1dub h GLU 242 Ca 0.24 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1dub h GLU 242 Cb 0.31 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1dub h GLU 242 CO -0.01 0.54 -0.24 1.03 -0.73 0.00 0.00 179.01 179.60 1dub h SER 243 N 0.16 0.36 -0.36 1.04 0.87 -0.32 -2.69 113.55 112.62 1dub h SER 243 Ca 0.02 -0.60 0.00 0.00 -1.23 0.00 0.00 61.79 59.98 1dub h SER 243 Cb 0.73 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.57 1dub h SER 243 CO 0.06 0.90 0.23 0.58 -0.53 0.00 0.00 176.83 178.06 1dub h VAL 244 N -0.15 1.10 -0.29 2.23 2.07 -0.99 -1.40 116.25 118.83 1dub h VAL 244 Ca -0.01 -0.21 0.08 0.00 0.82 0.00 0.00 66.70 67.39 1dub h VAL 244 Cb 0.86 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1dub h VAL 244 CO 0.05 0.10 0.21 0.78 0.02 0.00 0.00 177.57 178.73 1dub h ASN 245 N 0.48 0.00 0.59 0.57 2.35 -1.26 -0.72 115.58 117.59 1dub h ASN 245 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1dub h ASN 245 Cb -0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1dub h ASN 245 CO -0.03 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.75 1dub h ALA 246 N 1.85 1.00 0.00 -0.83 0.00 -0.90 -2.14 119.26 118.24 1dub h ALA 246 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1dub h ALA 246 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1dub h ALA 246 CO -0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1dub n ALA 247 N -1.88 1.27 0.03 0.00 0.00 -0.27 -1.10 120.51 118.55 1dub n ALA 247 Ca 0.01 0.13 0.06 0.00 0.00 0.00 0.00 53.44 53.64 1dub n ALA 247 Cb 0.19 -1.31 0.14 0.00 0.00 0.00 0.00 19.45 18.47 1dub n ALA 247 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1dub n PHE 248 N -2.15 0.37 -0.21 0.00 3.72 -0.80 -4.56 117.46 113.82 1dub n PHE 248 Ca 0.00 -0.34 0.00 0.00 -0.05 0.00 0.00 57.45 57.06 1dub n PHE 248 Cb 0.10 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 1dub n PHE 248 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1dub n GLU 249 N 0.70 -0.53 -4.02 -1.08 -0.58 -0.26 -5.08 120.64 109.78 1dub n GLU 249 Ca 0.12 -0.47 -0.11 0.00 -0.42 0.00 0.00 57.16 56.28 1dub n GLU 249 Cb 0.41 -0.90 -0.04 0.00 -0.57 0.00 0.00 31.44 30.35 1dub n GLU 249 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1dub s MET 250 N -0.07 1.72 0.68 3.49 -1.94 -1.17 -5.09 119.30 116.93 1dub s MET 250 Ca 0.00 -1.45 -0.11 0.00 -1.71 0.00 0.00 55.69 52.42 1dub s MET 250 Cb 0.00 0.47 -0.00 0.00 2.01 0.00 0.00 34.83 37.31 1dub s MET 250 CO 0.00 -0.72 1.05 0.95 -0.01 0.00 0.00 175.02 176.29 1dub s THR 251 N -3.54 4.15 0.33 2.05 -4.23 -1.26 -4.76 115.64 108.38 1dub s THR 251 Ca 0.25 0.70 0.02 0.00 -1.18 0.00 0.00 61.69 61.49 1dub s THR 251 Cb -0.01 -3.49 0.28 0.00 1.34 0.00 0.00 72.50 70.63 1dub s THR 251 CO 0.13 -0.91 1.95 0.25 -0.54 0.00 0.00 174.62 175.50 1dub h LEU 252 N -0.63 0.81 -0.10 4.79 5.85 -1.97 0.59 115.31 124.64 1dub h LEU 252 Ca -0.44 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.30 1dub h LEU 252 Cb 1.21 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 1dub h LEU 252 CO 0.58 0.54 -0.05 0.74 -0.34 0.00 0.00 178.44 179.91 1dub h THR 253 N 0.92 0.85 -0.18 1.05 2.02 -1.99 0.15 112.91 115.73 1dub h THR 253 Ca 0.33 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.36 1dub h THR 253 Cb 0.14 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1dub h THR 253 CO -0.11 0.00 -0.52 -0.33 0.37 0.00 0.00 175.52 174.93 1dub h GLU 254 N -0.04 0.51 -0.21 6.66 4.39 -1.80 -1.96 114.58 122.13 1dub h GLU 254 Ca 0.05 -0.31 -0.00 0.00 0.34 0.00 0.00 59.36 59.44 1dub h GLU 254 Cb 0.12 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1dub h GLU 254 CO -0.12 0.91 0.12 0.78 -1.16 0.00 0.00 179.01 179.53 1dub h GLY 255 N 1.11 0.31 0.96 -3.84 0.00 -0.61 0.57 103.07 101.57 1dub h GLY 255 Ca 0.01 -0.14 0.02 0.00 0.00 0.00 0.00 47.33 47.22 1dub h GLY 255 CO 0.10 0.13 0.62 3.43 0.00 0.00 0.00 176.54 180.82 1dub h ASN 256 N 0.23 1.06 -0.55 0.19 2.35 -0.90 0.21 115.58 118.18 1dub h ASN 256 Ca 0.07 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.69 1dub h ASN 256 Cb 0.06 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 1dub h ASN 256 CO -0.01 0.76 -0.08 0.11 -1.65 0.00 0.00 177.43 176.55 1dub h LYS 257 N 1.25 1.03 -0.14 0.81 1.57 -0.87 -0.75 116.57 119.47 1dub h LYS 257 Ca 0.36 -0.37 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1dub h LYS 257 Cb -0.09 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1dub h LYS 257 CO -0.09 1.06 0.01 1.25 -0.57 0.00 0.00 179.45 181.11 1dub h LEU 258 N 0.91 0.24 -0.83 2.94 5.85 -0.41 -2.07 115.31 121.94 1dub h LEU 258 Ca 0.15 -0.29 0.12 0.00 0.84 0.00 0.00 57.88 58.69 1dub h LEU 258 Cb 0.65 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.53 1dub h LEU 258 CO 0.04 0.47 0.46 -0.08 -0.34 0.00 0.00 178.44 178.99 1dub h GLU 259 N -0.00 0.70 -0.70 1.25 4.81 -0.43 -0.71 114.58 119.49 1dub h GLU 259 Ca 0.04 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1dub h GLU 259 Cb 0.34 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1dub h GLU 259 CO 0.01 0.46 0.20 -0.22 -0.73 0.00 0.00 179.01 178.72 1dub h LYS 260 N 0.72 1.09 -0.46 1.92 1.63 -0.90 0.05 116.57 120.60 1dub h LYS 260 Ca 0.43 -0.24 -0.11 0.00 -0.85 0.00 0.00 60.65 59.88 1dub h LYS 260 Cb 0.49 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.95 1dub h LYS 260 CO -0.30 0.94 -0.15 0.87 -3.45 0.00 0.00 179.45 177.36 1dub h LYS 261 N 1.04 0.88 -0.45 1.90 1.57 -0.46 0.14 116.57 121.18 1dub h LYS 261 Ca 0.22 -0.33 -0.12 0.00 -1.87 0.00 0.00 60.65 58.56 1dub h LYS 261 Cb 0.32 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1dub h LYS 261 CO -0.00 0.97 -0.18 -0.07 -0.57 0.00 0.00 179.45 179.59 1dub h LEU 262 N 0.78 0.94 -0.39 2.94 3.38 -0.96 -1.56 115.31 120.44 1dub h LEU 262 Ca 0.12 -0.39 0.05 0.00 0.09 0.00 0.00 57.88 57.75 1dub h LEU 262 Cb 0.68 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1dub h LEU 262 CO 0.05 1.12 0.10 0.15 0.09 0.00 0.00 178.44 179.95 1dub h PHE 263 N 0.76 0.17 -0.50 1.13 3.57 -0.65 -0.38 116.94 121.03 1dub h PHE 263 Ca 0.11 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.58 1dub h PHE 263 Cb 0.75 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.45 1dub h PHE 263 CO 0.05 0.04 0.10 1.88 -2.23 0.00 0.00 178.31 178.15 1dub h TYR 264 N 0.23 0.80 -0.24 0.41 0.05 -0.76 -2.49 116.97 114.98 1dub h TYR 264 Ca 0.18 -0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 1dub h TYR 264 Cb 0.20 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.69 1dub h TYR 264 CO -0.18 0.69 0.09 0.77 -1.05 0.00 0.00 178.16 178.49 1dub h SER 265 N 0.75 0.30 0.07 3.88 0.02 -0.08 -0.94 113.55 117.54 1dub h SER 265 Ca 0.16 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1dub h SER 265 Cb 0.31 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.78 1dub h SER 265 CO 0.00 0.28 -0.02 0.71 -1.14 0.00 0.00 176.83 176.66 1dub h THR 266 N 0.33 0.40 0.00 -2.27 1.35 -0.76 0.19 112.91 112.16 1dub h THR 266 Ca 0.09 -0.08 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1dub h THR 266 Cb 0.08 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1dub h THR 266 CO -0.01 0.02 0.00 0.49 -0.25 0.00 0.00 175.52 175.77 1dub n PHE 267 N -3.63 0.18 1.50 4.73 3.01 -0.36 -1.64 117.46 121.26 1dub n PHE 267 Ca -0.03 0.06 0.14 0.00 1.01 0.00 0.00 57.45 58.63 1dub n PHE 267 Cb 0.10 -0.60 0.53 0.00 -0.01 0.00 0.00 39.48 39.50 1dub n PHE 267 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1dub n ALA 268 N -1.56 2.58 -2.84 4.37 0.00 0.67 -4.90 120.51 118.83 1dub n ALA 268 Ca 0.05 -0.44 -0.22 0.00 0.00 0.00 0.00 53.44 52.82 1dub n ALA 268 Cb 0.25 -1.17 -0.04 0.00 0.00 0.00 0.00 19.45 18.49 1dub n ALA 268 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1dub s THR 269 N -2.00 4.53 0.12 0.00 -4.23 -0.65 -5.02 115.64 108.39 1dub s THR 269 Ca 0.38 -1.36 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 1dub s THR 269 Cb 0.21 -3.45 -0.22 0.00 1.34 0.00 0.00 72.50 70.39 1dub s THR 269 CO 0.33 -0.34 1.26 0.44 -0.54 0.00 0.00 174.62 175.77 1dub h ASP 270 N 1.48 0.28 -0.98 3.99 3.32 -1.61 -3.30 116.42 119.60 1dub h ASP 270 Ca -0.49 -0.27 0.08 0.00 0.02 0.00 0.00 57.03 56.37 1dub h ASP 270 Cb 1.24 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 40.63 1dub h ASP 270 CO 0.61 1.16 0.62 0.44 -1.72 0.00 0.00 179.24 180.35 1dub h ASP 271 N 0.08 0.98 0.11 6.45 3.32 -0.30 -1.25 116.42 125.81 1dub h ASP 271 Ca -0.07 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1dub h ASP 271 Cb 1.75 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 41.12 1dub h ASP 271 CO 0.16 0.60 -0.05 -0.09 -1.72 0.00 0.00 179.24 178.14 1dub h ARG 272 N 1.10 -0.14 -0.67 3.56 1.12 -1.77 0.42 114.38 118.01 1dub h ARG 272 Ca 0.44 0.01 0.10 0.00 -1.11 0.00 0.00 59.98 59.42 1dub h ARG 272 Cb 0.24 0.03 -0.08 0.00 -0.01 0.00 0.00 29.97 30.15 1dub h ARG 272 CO -0.19 0.01 0.28 -0.09 -3.11 0.00 0.00 179.97 176.87 1dub h ARG 273 N -0.27 0.46 -0.05 0.20 9.65 -1.57 0.87 114.38 123.69 1dub h ARG 273 Ca -0.01 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1dub h ARG 273 Cb 0.22 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 28.69 1dub h ARG 273 CO 0.02 0.31 0.02 1.49 2.80 0.00 0.00 179.97 184.61 1dub h GLU 274 N 0.48 0.07 -0.77 0.20 4.57 -0.93 0.84 114.58 119.04 1dub h GLU 274 Ca 0.34 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.49 1dub h GLU 274 Cb 0.42 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.96 1dub h GLU 274 CO -0.31 0.23 0.41 0.78 -1.18 0.00 0.00 179.01 178.94 1dub h GLY 275 N -0.10 1.15 1.76 1.92 0.00 0.63 -0.44 103.07 107.99 1dub h GLY 275 Ca 0.02 -0.52 -0.23 0.00 0.00 0.00 0.00 47.33 46.60 1dub h GLY 275 CO -0.00 0.50 -1.01 -0.33 0.00 0.00 0.00 176.54 175.69 1dub h MET 276 N 1.07 0.20 -0.31 4.80 2.86 -0.62 -3.10 114.93 119.84 1dub h MET 276 Ca 0.27 -0.27 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1dub h MET 276 Cb 0.04 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 1dub h MET 276 CO -0.04 1.05 0.07 0.77 1.06 0.00 0.00 176.91 179.82 1dub h SER 277 N 0.09 0.48 -0.99 1.22 0.02 -0.65 -2.58 113.55 111.15 1dub h SER 277 Ca -0.07 -0.24 0.20 0.00 -0.84 0.00 0.00 61.79 60.84 1dub h SER 277 Cb 1.70 -0.13 -0.10 0.00 0.14 0.00 0.00 62.40 64.01 1dub h SER 277 CO 0.16 0.60 0.62 0.00 -1.14 0.00 0.00 176.83 177.07 1dub h ALA 278 N 0.90 1.84 0.25 3.77 0.00 -1.06 1.17 119.26 126.13 1dub h ALA 278 Ca 0.10 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1dub h ALA 278 Cb 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1dub h ALA 278 CO 0.00 -0.21 -0.12 0.35 0.00 0.00 0.00 179.25 179.28 1dub h PHE 279 N 0.65 -0.31 0.20 0.00 3.57 -1.44 0.31 116.94 119.93 1dub h PHE 279 Ca 0.56 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 62.07 1dub h PHE 279 Cb 1.04 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.85 1dub h PHE 279 CO -0.00 0.07 -0.26 0.28 -2.23 0.00 0.00 178.31 176.17 1dub h VAL 280 N -0.82 0.44 0.00 1.41 2.07 -0.92 -1.31 116.25 117.13 1dub h VAL 280 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1dub h VAL 280 Cb 0.51 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1dub h VAL 280 CO 0.06 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 177.03 1dub n GLU 281 N -5.38 0.61 -4.23 1.57 1.02 0.40 -4.85 120.64 109.78 1dub n GLU 281 Ca -0.08 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.74 1dub n GLU 281 Cb 0.29 -1.08 -0.07 0.00 -0.02 0.00 0.00 31.44 30.55 1dub n GLU 281 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1dub n LYS 282 N -0.58 -1.18 -4.28 3.49 5.02 0.09 -4.93 118.16 115.78 1dub n LYS 282 Ca 0.02 0.14 -0.16 0.00 -2.02 0.00 0.00 58.31 56.28 1dub n LYS 282 Cb 0.01 -3.59 -0.09 0.00 -0.02 0.00 0.00 35.03 31.34 1dub n LYS 282 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1dub s ARG 283 N -7.27 1.47 0.19 1.97 1.70 0.87 -5.03 118.95 112.85 1dub s ARG 283 Ca 0.07 -1.82 -0.30 0.00 -0.47 0.00 0.00 55.73 53.21 1dub s ARG 283 Cb -0.04 0.05 -0.08 0.00 -0.57 0.00 0.00 34.95 34.32 1dub s ARG 283 CO 0.98 -0.44 0.98 0.21 -1.08 0.00 0.00 175.30 175.96 1dub s LYS 284 N -3.90 4.75 0.30 3.89 2.20 -1.26 -4.36 119.74 121.35 1dub s LYS 284 Ca 0.38 1.53 -0.27 0.00 -0.36 0.00 0.00 55.97 57.25 1dub s LYS 284 Cb 0.06 -3.31 -0.10 0.00 -1.51 0.00 0.00 37.83 32.97 1dub s LYS 284 CO 0.17 0.32 0.95 0.00 -0.36 0.00 0.00 175.35 176.42 1dub s ALA 285 N -0.61 3.25 -0.35 3.13 0.00 -1.26 -4.90 121.76 121.02 1dub s ALA 285 Ca 0.45 0.56 0.02 0.00 0.00 0.00 0.00 51.96 52.99 1dub s ALA 285 Cb -0.26 -3.20 0.10 0.00 0.00 0.00 0.00 23.12 19.77 1dub s ALA 285 CO 0.32 0.17 0.09 -0.80 0.00 0.00 0.00 175.76 175.55 1dub s ASN 286 N -1.47 4.41 0.29 0.00 0.01 -1.26 -5.06 114.94 111.85 1dub s ASN 286 Ca 0.47 -2.08 -0.19 0.00 -0.71 0.00 0.00 52.86 50.36 1dub s ASN 286 Cb -0.21 -1.33 -0.09 0.00 0.41 0.00 0.00 41.25 40.03 1dub s ASN 286 CO 0.27 -0.37 0.78 -0.36 -1.51 0.00 0.00 177.10 175.91 1dub s PHE 287 N 1.02 3.53 -0.02 2.20 0.08 -1.26 -4.96 117.98 118.56 1dub s PHE 287 Ca 0.11 1.42 0.04 0.00 0.12 0.00 0.00 56.93 58.62 1dub s PHE 287 Cb -0.19 -2.66 0.05 0.00 -0.57 0.00 0.00 43.02 39.65 1dub s PHE 287 CO -0.13 0.20 0.96 1.63 -0.10 0.00 0.00 175.22 177.78 1dub n LYS 288 N 0.22 2.14 -3.45 0.44 5.02 -1.26 -4.98 118.16 116.29 1dub n LYS 288 Ca 0.01 -1.54 -0.23 0.00 -2.02 0.00 0.00 58.31 54.53 1dub n LYS 288 Cb 0.52 -1.00 0.07 0.00 -0.02 0.00 0.00 35.03 34.59 1dub n LYS 288 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1dub n ASP 289 N -0.59 -6.21 0.00 4.39 8.00 -1.26 -5.00 116.55 115.89 1dub n ASP 289 Ca 0.03 -0.48 0.00 0.00 0.71 0.00 0.00 54.79 55.05 1dub n ASP 289 Cb 0.38 -4.87 0.00 0.00 -0.02 0.00 0.00 41.12 36.61 1dub n ASP 289 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81