#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dub s PHE 33 N 0.00 3.73 -0.17 3.10 0.08 -1.26 -5.01 117.98 118.45 2dub s PHE 33 Ca 0.00 1.08 -0.06 0.00 0.12 0.00 0.00 56.93 58.07 2dub s PHE 33 Cb 0.00 -2.36 -0.22 0.00 -0.57 0.00 0.00 43.02 39.87 2dub s PHE 33 CO 0.00 0.60 0.16 0.94 -0.10 0.00 0.00 175.22 176.81 2dub n GLN 34 N 1.62 0.71 -0.00 0.44 7.27 -1.26 -4.64 117.38 121.51 2dub n GLN 34 Ca -0.11 0.26 0.09 0.00 0.07 0.00 0.00 57.00 57.30 2dub n GLN 34 Cb 0.52 -1.65 -0.11 0.00 2.41 0.00 0.00 30.24 31.40 2dub n GLN 34 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2dub n TYR 35 N -3.54 0.00 -4.28 3.69 4.01 -1.26 -4.91 117.16 110.87 2dub n TYR 35 Ca -0.37 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.20 2dub n TYR 35 Cb 0.99 -0.15 -0.10 0.00 -0.31 0.00 0.00 39.34 39.77 2dub n TYR 35 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 2dub s ILE 36 N -2.88 1.44 -0.17 -0.72 -4.36 -1.26 0.24 121.20 113.50 2dub s ILE 36 Ca 0.02 -1.98 0.01 0.00 -0.26 0.00 0.00 60.65 58.44 2dub s ILE 36 Cb 0.13 -1.80 0.02 0.00 1.25 0.00 0.00 42.46 42.07 2dub s ILE 36 CO 0.73 -0.56 -0.16 -0.63 0.24 0.00 0.00 174.94 174.57 2dub s ILE 37 N -2.72 1.78 0.29 8.37 1.01 0.11 -4.68 121.20 125.36 2dub s ILE 37 Ca 0.16 -0.82 0.09 0.00 0.00 0.00 0.00 60.65 60.08 2dub s ILE 37 Cb -0.02 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 2dub s ILE 37 CO 0.04 0.44 0.03 0.42 0.00 0.00 0.00 174.94 175.87 2dub s THR 38 N 1.39 3.29 0.00 2.92 -4.23 -1.26 0.10 115.64 117.85 2dub s THR 38 Ca 0.04 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 2dub s THR 38 Cb -0.13 -2.87 0.00 0.00 1.34 0.00 0.00 72.50 70.84 2dub s THR 38 CO -0.11 -0.32 0.00 -1.84 -0.54 0.00 0.00 174.62 171.81 2dub n GLU 39 N -0.95 0.00 -3.24 3.99 0.28 -0.76 -5.01 120.64 114.94 2dub n GLU 39 Ca -0.06 0.00 -0.39 0.00 -0.16 0.00 0.00 57.16 56.56 2dub n GLU 39 Cb 0.60 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.41 2dub n GLU 39 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2dub s LYS 40 N -1.77 4.27 0.06 3.44 1.02 -1.26 -1.08 119.74 124.42 2dub s LYS 40 Ca 0.00 0.71 0.01 0.00 0.02 0.00 0.00 55.97 56.71 2dub s LYS 40 Cb 0.00 -3.31 -0.00 0.00 -0.52 0.00 0.00 37.83 33.99 2dub s LYS 40 CO 0.00 0.44 0.03 1.63 -0.92 0.00 0.00 175.35 176.54 2dub n LYS 41 N 2.47 0.40 -0.96 1.68 5.02 0.50 -4.91 118.16 122.36 2dub n LYS 41 Ca -0.08 -0.52 0.12 0.00 -2.02 0.00 0.00 58.31 55.81 2dub n LYS 41 Cb 0.51 0.37 -0.04 0.00 -0.02 0.00 0.00 35.03 35.84 2dub n LYS 41 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dub n GLY 42 N 0.71 -2.33 3.62 0.72 0.00 -1.26 -2.05 105.19 104.60 2dub n GLY 42 Ca 0.00 -1.24 -0.52 0.00 0.00 0.00 0.00 46.02 44.27 2dub n GLY 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2dub n LYS 43 N -3.64 1.30 -1.56 1.61 3.00 -1.26 -0.45 118.16 117.16 2dub n LYS 43 Ca -0.02 0.47 -0.19 0.00 -0.00 0.00 0.00 58.31 58.57 2dub n LYS 43 Cb 0.45 -2.14 -0.08 0.00 0.00 0.00 0.00 35.03 33.26 2dub n LYS 43 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2dub n ASN 44 N 3.04 -5.55 -3.76 3.14 3.02 -1.26 -2.38 115.26 111.51 2dub n ASN 44 Ca 0.19 0.47 -0.25 0.00 -0.03 0.00 0.00 54.58 54.97 2dub n ASN 44 Cb 0.20 -4.74 0.04 0.00 -0.61 0.00 0.00 39.78 34.67 2dub n ASN 44 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2dub n SER 45 N -1.33 -3.28 0.07 6.41 7.64 0.40 -4.88 113.62 118.65 2dub n SER 45 Ca -0.19 -0.76 0.12 0.00 1.01 0.00 0.00 58.87 59.05 2dub n SER 45 Cb 0.67 -4.17 0.22 0.00 -1.01 0.00 0.00 64.21 59.92 2dub n SER 45 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2dub h SER 46 N -2.06 0.00 -3.45 6.43 4.64 -1.10 -3.41 113.55 114.61 2dub h SER 46 Ca -0.59 -0.16 -0.63 0.00 -0.47 0.00 0.00 61.79 59.94 2dub h SER 46 Cb 1.37 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.26 2dub h SER 46 CO 0.60 0.08 -0.60 -0.69 -0.87 0.00 0.00 176.83 175.35 2dub s VAL 47 N -3.16 4.47 -0.35 0.95 1.01 -0.87 -0.05 120.40 122.41 2dub s VAL 47 Ca 0.07 -0.14 -0.17 0.00 0.00 0.00 0.00 61.98 61.74 2dub s VAL 47 Cb 0.13 -3.04 -0.01 0.00 0.00 0.00 0.00 36.38 33.46 2dub s VAL 47 CO 0.69 0.41 0.47 -0.83 0.00 0.00 0.00 175.10 175.84 2dub s GLY 48 N 0.87 1.85 -0.22 4.51 0.00 -0.27 -0.37 107.32 113.70 2dub s GLY 48 Ca 0.03 -1.07 -0.09 0.00 0.00 0.00 0.00 44.72 43.59 2dub s GLY 48 CO 0.02 1.18 0.11 -2.27 0.00 0.00 0.00 173.10 172.15 2dub s LEU 49 N 2.27 3.93 -0.15 0.66 2.96 -0.24 -0.34 118.68 127.77 2dub s LEU 49 Ca 0.17 0.07 0.01 0.00 -0.22 0.00 0.00 54.13 54.15 2dub s LEU 49 Cb -0.16 -2.03 0.00 0.00 0.50 0.00 0.00 46.19 44.50 2dub s LEU 49 CO 0.13 0.10 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.45 2dub s ILE 50 N 0.84 2.52 -0.19 6.68 1.01 0.04 -1.84 121.20 130.27 2dub s ILE 50 Ca 0.06 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.89 2dub s ILE 50 Cb -0.13 -2.05 0.02 0.00 0.01 0.00 0.00 42.46 40.31 2dub s ILE 50 CO 0.02 0.53 -0.18 -1.58 0.00 0.00 0.00 174.94 173.73 2dub s GLN 51 N 0.76 2.99 0.16 2.79 0.74 0.12 -1.34 119.66 125.88 2dub s GLN 51 Ca -0.07 -0.83 -0.31 0.00 0.05 0.00 0.00 55.36 54.20 2dub s GLN 51 Cb -0.16 -2.62 -0.10 0.00 1.10 0.00 0.00 33.01 31.24 2dub s GLN 51 CO 0.00 -0.22 1.54 -0.51 -0.55 0.00 0.00 175.29 175.55 2dub s LEU 52 N 1.30 4.37 -0.51 3.68 1.43 0.91 0.09 118.68 129.95 2dub s LEU 52 Ca 0.05 2.58 0.06 0.00 -1.03 0.00 0.00 54.13 55.78 2dub s LEU 52 Cb -0.13 -3.59 0.21 0.00 0.03 0.00 0.00 46.19 42.70 2dub s LEU 52 CO -0.12 -0.79 0.50 -3.20 0.23 0.00 0.00 176.35 172.97 2dub n ASN 53 N 3.90 1.24 -3.04 2.29 4.05 0.66 -4.31 115.26 120.04 2dub n ASN 53 Ca 0.13 -2.84 -0.16 0.00 0.45 0.00 0.00 54.58 52.16 2dub n ASN 53 Cb 0.39 -0.64 0.00 0.00 1.23 0.00 0.00 39.78 40.76 2dub n ASN 53 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 2dub n ARG 54 N 1.88 0.95 -0.06 1.20 0.63 -1.25 -4.42 116.66 115.59 2dub n ARG 54 Ca 0.25 -2.89 0.14 0.00 -0.92 0.00 0.00 57.85 54.44 2dub n ARG 54 Cb 0.45 -1.46 0.55 0.00 0.45 0.00 0.00 32.46 32.46 2dub n ARG 54 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 2dub h PRO 55 N 3.16 0.28 -1.00 -0.14 0.13 -1.94 0.65 132.00 133.15 2dub h PRO 55 Ca 0.03 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 65.16 2dub h PRO 55 Cb 1.00 -0.06 -0.05 0.00 0.13 0.00 0.00 31.00 32.01 2dub h PRO 55 CO 0.39 0.19 0.66 0.87 -0.23 0.00 0.00 178.00 179.87 2dub h LYS 56 N 0.29 1.28 -0.61 0.86 1.57 -2.03 -1.82 116.57 116.11 2dub h LYS 56 Ca 0.27 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2dub h LYS 56 Cb 0.69 -0.29 0.00 0.00 0.08 0.00 0.00 32.23 32.71 2dub h LYS 56 CO -0.06 0.84 0.00 0.00 -0.57 0.00 0.00 179.45 179.66 2dub n ALA 57 N -2.38 3.64 -3.50 3.86 0.00 -0.80 -4.91 120.51 116.42 2dub n ALA 57 Ca 0.12 -1.82 -0.26 0.00 0.00 0.00 0.00 53.44 51.49 2dub n ALA 57 Cb 0.05 -1.10 0.02 0.00 0.00 0.00 0.00 19.45 18.42 2dub n ALA 57 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dub n LEU 58 N 0.81 -2.24 -1.39 0.00 4.77 -0.68 -0.88 117.00 117.39 2dub n LEU 58 Ca 0.27 -0.52 -0.16 0.00 -0.03 0.00 0.00 56.01 55.58 2dub n LEU 58 Cb 1.11 -2.51 -0.05 0.00 -2.33 0.00 0.00 43.42 39.64 2dub n LEU 58 CO 0.30 0.31 -0.17 0.59 -1.33 0.00 0.00 177.39 177.10 2dub n ASN 59 N -2.57 -4.80 -4.63 -1.43 3.02 0.15 -1.04 115.26 103.96 2dub n ASN 59 Ca -0.01 0.25 -0.53 0.00 -0.03 0.00 0.00 54.58 54.26 2dub n ASN 59 Cb 0.55 -3.76 -0.06 0.00 -0.61 0.00 0.00 39.78 35.91 2dub n ASN 59 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dub n ALA 60 N 0.27 -0.60 -1.17 5.41 0.00 -0.05 -4.41 120.51 119.95 2dub n ALA 60 Ca -0.17 0.48 -0.37 0.00 0.00 0.00 0.00 53.44 53.38 2dub n ALA 60 Cb 0.55 -2.14 -0.03 0.00 0.00 0.00 0.00 19.45 17.83 2dub n ALA 60 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dub n LEU 61 N 3.36 5.32 -4.68 0.00 4.77 0.93 -4.78 117.00 121.91 2dub n LEU 61 Ca 0.20 -3.28 -0.30 0.00 -0.03 0.00 0.00 56.01 52.60 2dub n LEU 61 Cb 0.19 -1.26 0.15 0.00 -2.33 0.00 0.00 43.42 40.17 2dub n LEU 61 CO 0.67 0.43 0.66 0.00 -1.33 0.00 0.00 177.39 177.82 2dub h ASN 63 N -1.74 0.44 -0.36 0.00 -1.24 -1.96 -1.90 115.58 108.83 2dub h ASN 63 Ca -0.47 0.01 -0.12 0.00 0.71 0.00 0.00 56.30 56.43 2dub h ASN 63 Cb 1.27 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 40.23 2dub h ASN 63 CO 0.48 0.26 -0.23 1.23 -1.29 0.00 0.00 177.43 177.87 2dub h GLY 64 N 0.49 0.86 1.04 1.57 0.00 -1.98 -2.12 103.07 102.93 2dub h GLY 64 Ca 0.31 -0.81 -0.06 0.00 0.00 0.00 0.00 47.33 46.77 2dub h GLY 64 CO -0.10 0.74 0.21 -2.00 0.00 0.00 0.00 176.54 175.39 2dub h LEU 65 N 0.58 1.02 -0.90 3.11 5.85 -1.77 -2.27 115.31 120.94 2dub h LEU 65 Ca 0.07 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.56 2dub h LEU 65 Cb 0.80 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 2dub h LEU 65 CO 0.06 0.97 0.49 0.40 -0.34 0.00 0.00 178.44 180.02 2dub h ILE 66 N 1.03 1.26 -0.74 4.05 1.08 -1.27 0.73 117.51 123.64 2dub h ILE 66 Ca 0.22 -0.64 -0.05 0.00 -0.39 0.00 0.00 64.86 64.00 2dub h ILE 66 Cb 0.32 0.05 -0.03 0.00 -3.07 0.00 0.00 36.82 34.09 2dub h ILE 66 CO -0.00 0.29 0.25 -0.08 -0.69 0.00 0.00 178.15 177.92 2dub h GLU 67 N 1.25 1.14 -0.22 2.37 4.81 -0.99 -1.32 114.58 121.62 2dub h GLU 67 Ca 0.32 -0.23 -0.16 0.00 -0.13 0.00 0.00 59.36 59.15 2dub h GLU 67 Cb 0.03 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.24 2dub h GLU 67 CO -0.05 0.96 -0.50 0.93 -0.73 0.00 0.00 179.01 179.61 2dub h GLU 68 N 1.09 0.74 -0.61 1.92 5.08 -0.98 -2.31 114.58 119.52 2dub h GLU 68 Ca 0.24 -0.49 0.06 0.00 -1.00 0.00 0.00 59.36 58.17 2dub h GLU 68 Cb 0.28 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 2dub h GLU 68 CO -0.01 1.12 0.31 1.25 -1.00 0.00 0.00 179.01 180.68 2dub h LEU 69 N 0.46 0.44 -0.93 1.33 5.85 -0.66 0.17 115.31 121.97 2dub h LEU 69 Ca 0.00 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 2dub h LEU 69 Cb 1.11 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 2dub h LEU 69 CO 0.11 0.29 0.04 0.78 -0.34 0.00 0.00 178.44 179.31 2dub h ASN 70 N 0.58 0.78 0.22 1.25 2.35 -1.19 -0.83 115.58 118.74 2dub h ASN 70 Ca 0.28 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 2dub h ASN 70 Cb 0.21 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2dub h ASN 70 CO -0.20 0.82 -0.10 1.56 -1.65 0.00 0.00 177.43 177.86 2dub h GLN 71 N 0.77 -0.28 -0.93 0.81 4.20 -0.57 -0.66 115.11 118.45 2dub h GLN 71 Ca 0.16 0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.98 2dub h GLN 71 Cb 0.41 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.18 2dub h GLN 71 CO 0.01 -0.06 0.57 0.00 -0.67 0.00 0.00 178.83 178.68 2dub h ALA 72 N 0.28 1.34 -0.06 3.87 0.00 -0.51 0.23 119.26 124.39 2dub h ALA 72 Ca -0.03 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2dub h ALA 72 Cb 0.35 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2dub h ALA 72 CO 0.05 0.23 0.02 -0.07 0.00 0.00 0.00 179.25 179.49 2dub h LEU 73 N 0.96 0.09 -0.95 0.00 3.38 -0.95 -0.93 115.31 116.91 2dub h LEU 73 Ca 0.44 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.26 2dub h LEU 73 Cb 0.34 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 2dub h LEU 73 CO -0.23 0.24 0.62 -0.33 0.09 0.00 0.00 178.44 178.83 2dub h GLU 74 N -0.07 1.21 0.28 1.13 4.39 -0.57 0.97 114.58 121.93 2dub h GLU 74 Ca 0.02 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 2dub h GLU 74 Cb 0.18 -0.27 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 2dub h GLU 74 CO -0.00 0.80 -0.14 1.15 -1.16 0.00 0.00 179.01 179.66 2dub h THR 75 N 1.25 0.76 -0.12 1.13 2.02 -0.78 -1.21 112.91 115.95 2dub h THR 75 Ca 0.36 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 2dub h THR 75 Cb -0.08 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 2dub h THR 75 CO -0.10 0.06 -0.03 -0.26 0.37 0.00 0.00 175.52 175.57 2dub h PHE 76 N -0.53 0.17 -0.50 3.16 0.04 -0.92 -1.52 116.94 116.84 2dub h PHE 76 Ca -0.04 -0.01 -0.09 0.00 2.80 0.00 0.00 57.97 60.63 2dub h PHE 76 Cb 0.39 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.47 2dub h PHE 76 CO -0.02 0.21 -0.06 1.49 -0.60 0.00 0.00 178.31 179.34 2dub h GLU 77 N 0.17 0.88 -0.00 1.51 4.57 -0.46 -2.82 114.58 118.42 2dub h GLU 77 Ca 0.04 -0.28 0.00 0.00 -1.18 0.00 0.00 59.36 57.94 2dub h GLU 77 Cb 0.17 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 2dub h GLU 77 CO 0.01 0.91 -0.15 0.39 -1.18 0.00 0.00 179.01 178.99 2dub n GLU 78 N -4.17 0.58 -2.67 1.92 1.02 -0.49 -4.78 120.64 112.04 2dub n GLU 78 Ca 0.02 -0.22 -0.42 0.00 -0.02 0.00 0.00 57.16 56.52 2dub n GLU 78 Cb 0.35 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.25 2dub n GLU 78 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2dub s ASP 79 N -2.57 6.41 0.44 1.62 -1.08 -0.72 -4.91 116.67 115.86 2dub s ASP 79 Ca 0.25 -0.05 0.23 0.00 -0.52 0.00 0.00 52.55 52.47 2dub s ASP 79 Cb 0.20 -2.51 1.27 0.00 -1.46 0.00 0.00 42.92 40.42 2dub s ASP 79 CO 0.51 -1.40 1.68 1.55 0.52 0.00 0.00 175.17 178.03 2dub h PRO 80 N 9.47 0.00 -0.00 4.34 0.13 -1.87 0.67 132.00 144.74 2dub h PRO 80 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2dub h PRO 80 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2dub h PRO 80 CO 1.15 0.00 -0.57 0.00 -0.23 0.00 0.00 178.00 178.35 2dub n ALA 81 N -1.77 3.73 -2.73 -0.56 0.00 -1.26 -4.86 120.51 113.06 2dub n ALA 81 Ca -0.02 -0.39 -0.36 0.00 0.00 0.00 0.00 53.44 52.67 2dub n ALA 81 Cb 0.21 -1.07 -0.07 0.00 0.00 0.00 0.00 19.45 18.52 2dub n ALA 81 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2dub s VAL 82 N -2.99 5.34 -0.01 0.00 1.01 0.23 -3.99 120.40 119.97 2dub s VAL 82 Ca 0.11 0.43 0.09 0.00 0.00 0.00 0.00 61.98 62.61 2dub s VAL 82 Cb 0.17 -3.56 -0.13 0.00 0.00 0.00 0.00 36.38 32.86 2dub s VAL 82 CO 0.72 0.45 0.19 0.61 0.00 0.00 0.00 175.10 177.07 2dub n GLY 83 N 3.08 -0.39 3.42 4.51 0.00 0.93 -4.90 105.19 111.84 2dub n GLY 83 Ca -0.14 -0.20 -0.16 0.00 0.00 0.00 0.00 46.02 45.52 2dub n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dub s ALA 84 N -2.59 -1.37 -0.02 4.61 0.00 -1.21 -4.25 121.76 116.93 2dub s ALA 84 Ca -0.03 1.02 0.03 0.00 0.00 0.00 0.00 51.96 52.98 2dub s ALA 84 Cb 0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 2dub s ALA 84 CO 0.36 -0.32 -0.11 0.42 0.00 0.00 0.00 175.76 176.11 2dub s ILE 85 N -1.01 3.36 -0.17 0.00 1.01 -0.20 -1.11 121.20 123.07 2dub s ILE 85 Ca -0.10 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.79 2dub s ILE 85 Cb -0.02 -2.40 0.01 0.00 0.01 0.00 0.00 42.46 40.06 2dub s ILE 85 CO 0.07 0.48 -0.18 -0.69 0.00 0.00 0.00 174.94 174.62 2dub s VAL 86 N -0.87 2.31 -0.16 2.92 1.01 0.54 -0.01 120.40 126.15 2dub s VAL 86 Ca 0.14 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 2dub s VAL 86 Cb -0.11 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 2dub s VAL 86 CO 0.04 0.52 -0.01 -0.22 0.00 0.00 0.00 175.10 175.43 2dub s LEU 87 N 1.11 3.39 0.28 3.92 2.96 0.12 -0.78 118.68 129.68 2dub s LEU 87 Ca 0.00 -0.06 -0.08 0.00 -0.22 0.00 0.00 54.13 53.77 2dub s LEU 87 Cb -0.14 -1.82 -0.00 0.00 0.50 0.00 0.00 46.19 44.72 2dub s LEU 87 CO -0.07 0.19 0.44 0.28 -1.32 0.00 0.00 176.35 175.87 2dub s THR 88 N 0.27 0.00 0.00 3.68 -1.32 -0.45 -0.15 115.64 117.67 2dub s THR 88 Ca -0.01 -1.53 0.00 0.00 -1.21 0.00 0.00 61.69 58.94 2dub s THR 88 Cb -0.14 -2.40 0.00 0.00 -1.51 0.00 0.00 72.50 68.45 2dub s THR 88 CO 0.02 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 2dub n GLY 89 N -0.43 3.78 1.43 6.08 0.00 -1.26 -0.07 105.19 114.72 2dub n GLY 89 Ca -0.01 -0.58 -0.08 0.00 0.00 0.00 0.00 46.02 45.35 2dub n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dub n GLY 90 N 3.26 0.98 0.10 -0.02 0.00 -0.25 -4.68 105.19 104.59 2dub n GLY 90 Ca 0.00 -2.02 -0.02 0.00 0.00 0.00 0.00 46.02 43.98 2dub n GLY 90 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2dub h GLU 91 N 0.00 0.00 0.00 1.61 4.81 -1.98 -3.30 114.58 115.72 2dub h GLU 91 Ca -0.12 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 58.93 2dub h GLU 91 Cb 0.45 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 2dub h GLU 91 CO 0.13 0.65 -1.39 -0.22 -0.73 0.00 0.00 179.01 177.45 2dub h LYS 92 N 0.00 0.00 -2.07 1.92 3.64 -1.95 -3.24 116.57 114.87 2dub h LYS 92 Ca -0.03 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2dub h LYS 92 Cb 1.57 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 33.17 2dub h LYS 92 CO 0.09 0.34 -0.05 0.00 -2.27 0.00 0.00 179.45 177.55 2dub s ALA 93 N -2.88 -1.82 -0.04 5.00 0.00 -1.24 -2.06 121.76 118.72 2dub s ALA 93 Ca -0.03 2.30 -0.26 0.00 0.00 0.00 0.00 51.96 53.98 2dub s ALA 93 Cb 0.09 -1.46 -0.21 0.00 0.00 0.00 0.00 23.12 21.54 2dub s ALA 93 CO 0.81 -0.50 1.19 0.35 0.00 0.00 0.00 175.76 177.61 2dub h PHE 94 N 7.26 0.03 -0.26 0.00 3.57 0.42 -0.66 116.94 127.30 2dub h PHE 94 Ca -0.28 -0.01 0.25 0.00 3.53 0.00 0.00 57.97 61.46 2dub h PHE 94 Cb 1.19 -0.01 -0.25 0.00 2.79 0.00 0.00 35.95 39.68 2dub h PHE 94 CO 0.10 0.60 0.39 0.00 -2.23 0.00 0.00 178.31 177.17 2dub s ALA 95 N -3.90 -3.35 -1.36 2.41 0.00 -0.32 -4.36 121.76 110.89 2dub s ALA 95 Ca -0.16 1.68 0.19 0.00 0.00 0.00 0.00 51.96 53.66 2dub s ALA 95 Cb 0.01 -2.35 0.91 0.00 0.00 0.00 0.00 23.12 21.69 2dub s ALA 95 CO 0.68 -1.14 1.57 0.00 0.00 0.00 0.00 175.76 176.87 2dub n ALA 96 N 4.92 1.97 0.00 0.00 0.00 -0.21 -1.71 120.51 125.48 2dub n ALA 96 Ca -0.07 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2dub n ALA 96 Cb 0.55 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.70 2dub n ALA 96 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dub n GLY 97 N 0.31 0.68 3.76 0.00 0.00 -0.95 -4.40 105.19 104.59 2dub n GLY 97 Ca 0.08 -1.87 -0.30 0.00 0.00 0.00 0.00 46.02 43.93 2dub n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dub s ALA 98 N -1.06 1.45 -0.63 4.61 0.00 -1.26 -0.05 121.76 124.81 2dub s ALA 98 Ca 0.00 -0.94 -0.22 0.00 0.00 0.00 0.00 51.96 50.80 2dub s ALA 98 Cb 0.00 -2.88 0.08 0.00 0.00 0.00 0.00 23.12 20.32 2dub s ALA 98 CO 0.00 -2.89 0.89 0.34 0.00 0.00 0.00 175.76 174.10 2dub s ASP 99 N -4.28 6.18 0.21 0.00 -1.08 -1.25 -4.41 116.67 112.05 2dub s ASP 99 Ca 0.70 -1.07 -0.09 0.00 -0.52 0.00 0.00 52.55 51.58 2dub s ASP 99 Cb -0.09 -2.39 0.28 0.00 -1.46 0.00 0.00 42.92 39.27 2dub s ASP 99 CO 0.54 -1.34 1.78 0.40 0.52 0.00 0.00 175.17 177.08 2dub h ILE 100 N 5.96 0.87 -0.97 4.11 1.08 -1.97 -1.24 117.51 125.35 2dub h ILE 100 Ca -0.29 -0.20 0.15 0.00 -0.39 0.00 0.00 64.86 64.13 2dub h ILE 100 Cb 1.08 0.25 -0.09 0.00 -3.07 0.00 0.00 36.82 34.99 2dub h ILE 100 CO 1.15 0.10 0.61 0.11 -0.69 0.00 0.00 178.15 179.44 2dub h LYS 101 N 0.57 0.82 0.00 2.37 1.57 -2.00 0.23 116.57 120.13 2dub h LYS 101 Ca 0.32 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.97 2dub h LYS 101 Cb 0.30 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 2dub h LYS 101 CO -0.24 0.54 -0.35 0.93 -0.57 0.00 0.00 179.45 179.75 2dub h GLU 102 N 0.84 0.00 0.00 3.15 5.08 -1.64 -3.26 114.58 118.75 2dub h GLU 102 Ca 0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 2dub h GLU 102 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2dub h GLU 102 CO -0.27 0.35 -1.30 -1.33 -1.00 0.00 0.00 179.01 175.46 2dub n MET 103 N -3.50 0.94 -0.34 2.33 0.00 -0.56 -4.61 117.12 111.37 2dub n MET 103 Ca -0.00 -0.08 0.09 0.00 0.00 0.00 0.00 57.70 57.71 2dub n MET 103 Cb 0.50 -1.36 0.20 0.00 0.00 0.00 0.00 33.22 32.56 2dub n MET 103 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 2dub n GLN 104 N -1.76 -0.08 -0.06 0.03 7.27 0.71 -0.55 117.38 122.94 2dub n GLN 104 Ca 0.00 1.48 0.12 0.00 0.07 0.00 0.00 57.00 58.67 2dub n GLN 104 Cb 0.36 -2.27 0.37 0.00 2.41 0.00 0.00 30.24 31.11 2dub n GLN 104 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2dub n ASN 105 N -5.52 1.98 -4.77 1.69 3.02 -1.26 -4.94 115.26 105.45 2dub n ASN 105 Ca 0.19 -1.71 -0.34 0.00 -0.03 0.00 0.00 54.58 52.68 2dub n ASN 105 Cb 0.59 -0.08 0.02 0.00 -0.61 0.00 0.00 39.78 39.69 2dub n ASN 105 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2dub s ARG 106 N -1.83 3.17 0.43 3.52 1.81 0.29 -5.05 118.95 121.29 2dub s ARG 106 Ca 0.34 1.54 0.07 0.00 -1.72 0.00 0.00 55.73 55.96 2dub s ARG 106 Cb 0.19 -1.99 -0.04 0.00 -0.45 0.00 0.00 34.95 32.67 2dub s ARG 106 CO 0.29 -0.98 0.22 0.95 -0.68 0.00 0.00 175.30 175.11 2dub s THR 107 N -1.96 2.25 0.16 0.02 -4.23 -1.26 -4.99 115.64 105.64 2dub s THR 107 Ca 0.71 -1.64 -0.15 0.00 -1.18 0.00 0.00 61.69 59.43 2dub s THR 107 Cb -0.23 -2.89 0.03 0.00 1.34 0.00 0.00 72.50 70.75 2dub s THR 107 CO 0.32 0.00 1.82 0.15 -0.54 0.00 0.00 174.62 176.37 2dub h PHE 108 N 1.30 0.55 -0.16 3.99 3.57 -2.00 -1.75 116.94 122.45 2dub h PHE 108 Ca -0.42 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.06 2dub h PHE 108 Cb 1.26 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 2dub h PHE 108 CO 0.68 0.35 -0.04 1.96 -2.23 0.00 0.00 178.31 179.02 2dub h GLN 109 N 0.60 0.23 -0.32 1.11 7.50 -1.95 -2.04 115.11 120.24 2dub h GLN 109 Ca 0.16 -0.04 -0.03 0.00 0.50 0.00 0.00 58.65 59.25 2dub h GLN 109 Cb -0.06 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 27.41 2dub h GLN 109 CO -0.04 0.29 0.08 -0.44 -1.50 0.00 0.00 178.83 177.22 2dub h ASP 110 N 0.23 0.48 -0.76 1.46 3.32 -1.73 -2.27 116.42 117.16 2dub h ASP 110 Ca 0.05 -0.23 0.21 0.00 0.02 0.00 0.00 57.03 57.08 2dub h ASP 110 Cb 0.23 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 2dub h ASP 110 CO 0.01 0.59 0.54 0.00 -1.72 0.00 0.00 179.24 178.66 2dub n TYR 112 N -4.35 3.04 -2.15 0.00 4.02 -0.86 -5.12 117.16 111.74 2dub n TYR 112 Ca 0.15 -2.85 -0.03 0.00 -0.01 0.00 0.00 57.90 55.16 2dub n TYR 112 Cb 0.78 -1.38 -0.04 0.00 -0.02 0.00 0.00 39.34 38.68 2dub n TYR 112 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2dub n SER 113 N -0.74 -0.36 -3.49 7.72 7.64 0.80 -5.02 113.62 120.17 2dub n SER 113 Ca 0.59 -1.97 -0.28 0.00 1.01 0.00 0.00 58.87 58.21 2dub n SER 113 Cb 0.60 0.11 -0.07 0.00 -1.01 0.00 0.00 64.21 63.83 2dub n SER 113 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 2dub n HIS 119 N 0.15 3.54 -0.08 1.43 -0.00 -1.26 -5.09 115.22 113.92 2dub n HIS 119 Ca -0.17 -4.03 0.02 0.00 -0.00 0.00 0.00 57.72 53.55 2dub n HIS 119 Cb 0.83 -0.62 0.34 0.00 -0.00 0.00 0.00 29.99 30.54 2dub n HIS 119 CO 0.00 0.00 0.00 -1.49 -0.00 0.00 0.00 176.34 174.85 2dub h TRP 120 N 4.32 0.67 -1.23 4.41 -0.00 -2.02 -3.11 115.95 118.99 2dub h TRP 120 Ca 0.20 0.00 -0.61 0.00 -0.00 0.00 0.00 58.89 58.48 2dub h TRP 120 Cb 0.66 -0.22 -0.39 0.00 -0.00 0.00 0.00 29.16 29.21 2dub h TRP 120 CO 0.74 0.46 -0.35 -0.40 -0.00 0.00 0.00 178.44 178.89 2dub n ASP 121 N -4.43 5.49 0.16 -3.49 5.75 -1.26 -4.67 116.55 114.11 2dub n ASP 121 Ca 0.05 -3.75 0.03 0.00 -0.01 0.00 0.00 54.79 51.11 2dub n ASP 121 Cb 0.08 -0.55 0.17 0.00 -1.03 0.00 0.00 41.12 39.78 2dub n ASP 121 CO 0.00 0.00 0.00 -0.74 -0.11 0.00 0.00 177.20 176.35 2dub h HIS 122 N 2.42 0.00 -0.07 2.11 2.76 -1.99 -2.99 115.15 117.39 2dub h HIS 122 Ca 0.40 0.00 0.02 0.00 -2.20 0.00 0.00 60.37 58.59 2dub h HIS 122 Cb 1.03 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.98 2dub h HIS 122 CO 0.95 0.47 0.13 0.97 -1.30 0.00 0.00 177.93 179.15 2dub h ILE 123 N 0.00 0.27 -0.00 6.26 2.10 -1.86 0.24 117.51 124.52 2dub h ILE 123 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 2dub h ILE 123 Cb 1.18 0.89 0.00 0.00 -1.09 0.00 0.00 36.82 37.79 2dub h ILE 123 CO 0.06 0.00 -0.04 0.35 -1.08 0.00 0.00 178.15 177.44 2dub n THR 124 N -3.46 0.00 1.03 2.19 -2.24 -1.13 -3.16 114.28 107.51 2dub n THR 124 Ca -0.01 -0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.88 2dub n THR 124 Cb 0.22 -0.43 0.19 0.00 -2.10 0.00 0.00 70.33 68.21 2dub n THR 124 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2dub n ARG 125 N -1.43 0.12 -2.41 -0.78 3.00 0.85 -4.90 116.66 111.12 2dub n ARG 125 Ca 0.09 -0.08 -0.42 0.00 -0.01 0.00 0.00 57.85 57.43 2dub n ARG 125 Cb 0.31 -1.50 -0.03 0.00 0.00 0.00 0.00 32.46 31.25 2dub n ARG 125 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2dub s ILE 126 N -2.93 4.06 0.12 0.55 -1.09 -1.19 -4.95 121.20 115.77 2dub s ILE 126 Ca 0.12 1.46 0.02 0.00 -2.23 0.00 0.00 60.65 60.02 2dub s ILE 126 Cb 0.17 -3.93 -0.22 0.00 -1.58 0.00 0.00 42.46 36.90 2dub s ILE 126 CO 0.71 0.07 1.26 0.11 -1.23 0.00 0.00 174.94 175.85 2dub h LYS 127 N 7.10 0.14 -7.04 2.79 1.57 -1.91 -3.46 116.57 115.77 2dub h LYS 127 Ca -0.39 -0.21 -0.46 0.00 -1.87 0.00 0.00 60.65 57.71 2dub h LYS 127 Cb 1.19 0.08 0.01 0.00 0.08 0.00 0.00 32.23 33.59 2dub h LYS 127 CO 0.84 1.06 0.37 0.15 -0.57 0.00 0.00 179.45 181.31 2dub s LYS 128 N -2.82 4.02 0.53 3.15 1.02 -1.26 -4.61 119.74 119.78 2dub s LYS 128 Ca -0.02 1.32 -0.22 0.00 0.02 0.00 0.00 55.97 57.07 2dub s LYS 128 Cb 0.09 -2.23 -0.05 0.00 -0.52 0.00 0.00 37.83 35.12 2dub s LYS 128 CO 0.84 -0.23 1.34 -2.14 -0.92 0.00 0.00 175.35 174.24 2dub s PRO 129 N -3.04 3.23 -0.09 -1.68 0.02 -1.26 -4.84 135.00 127.33 2dub s PRO 129 Ca 0.63 2.20 0.01 0.00 0.02 0.00 0.00 61.00 63.86 2dub s PRO 129 Cb -0.15 -2.29 0.02 0.00 0.02 0.00 0.00 34.50 32.10 2dub s PRO 129 CO 0.19 -1.11 -0.10 0.08 -0.33 0.00 0.00 177.00 175.74 2dub s VAL 130 N -1.32 1.08 -0.12 3.83 1.01 -1.26 -1.03 120.40 122.59 2dub s VAL 130 Ca 0.70 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 62.29 2dub s VAL 130 Cb -0.39 -1.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 2dub s VAL 130 CO 0.47 0.36 -0.02 -0.63 0.00 0.00 0.00 175.10 175.28 2dub s ILE 131 N 1.27 4.12 -0.27 2.22 1.01 0.99 -1.32 121.20 129.21 2dub s ILE 131 Ca -0.03 -0.30 -0.11 0.00 0.00 0.00 0.00 60.65 60.21 2dub s ILE 131 Cb -0.14 -2.76 -0.05 0.00 0.01 0.00 0.00 42.46 39.52 2dub s ILE 131 CO -0.04 0.55 0.18 0.00 0.00 0.00 0.00 174.94 175.64 2dub s ALA 132 N -0.30 3.53 -0.77 9.38 0.00 0.63 0.11 121.76 134.34 2dub s ALA 132 Ca 0.06 -1.06 -0.14 0.00 0.00 0.00 0.00 51.96 50.82 2dub s ALA 132 Cb -0.12 -2.44 0.20 0.00 0.00 0.00 0.00 23.12 20.76 2dub s ALA 132 CO 0.02 -0.49 0.71 0.00 0.00 0.00 0.00 175.76 176.00 2dub s ALA 133 N 1.64 3.99 -0.44 0.00 0.00 0.79 -0.42 121.76 127.32 2dub s ALA 133 Ca 0.07 -3.18 -0.22 0.00 0.00 0.00 0.00 51.96 48.63 2dub s ALA 133 Cb -0.16 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.54 2dub s ALA 133 CO 0.10 -2.23 0.74 0.08 0.00 0.00 0.00 175.76 174.45 2dub s VAL 134 N 0.42 4.71 -0.07 0.00 1.01 0.92 -4.33 120.40 123.05 2dub s VAL 134 Ca 0.15 0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.50 2dub s VAL 134 Cb -0.14 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 31.94 2dub s VAL 134 CO -0.07 -0.67 -0.13 0.20 0.00 0.00 0.00 175.10 174.44 2dub s ASN 135 N 2.08 4.11 0.70 3.32 0.01 -1.26 0.15 114.94 124.04 2dub s ASN 135 Ca 0.28 -0.21 0.00 0.00 -0.71 0.00 0.00 52.86 52.22 2dub s ASN 135 Cb -0.13 -1.09 0.00 0.00 0.41 0.00 0.00 41.25 40.44 2dub s ASN 135 CO 0.21 0.30 0.00 0.61 -1.51 0.00 0.00 177.10 176.71 2dub n GLY 136 N 2.63 1.90 3.71 0.66 0.00 -1.23 -1.90 105.19 110.96 2dub n GLY 136 Ca -0.17 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 2dub n GLY 136 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dub s TYR 137 N 0.00 3.28 -0.44 1.61 2.02 -0.87 -0.54 117.35 122.41 2dub s TYR 137 Ca 0.00 1.11 0.05 0.00 -0.37 0.00 0.00 57.07 57.85 2dub s TYR 137 Cb 0.00 -3.55 0.19 0.00 -0.40 0.00 0.00 41.96 38.20 2dub s TYR 137 CO 0.00 -1.84 0.40 0.00 -1.57 0.00 0.00 175.55 172.54 2dub n ALA 138 N 4.18 2.86 -2.58 3.71 0.00 -0.33 0.14 120.51 128.49 2dub n ALA 138 Ca 0.10 -3.32 -0.30 0.00 0.00 0.00 0.00 53.44 49.92 2dub n ALA 138 Cb 0.44 -0.79 -0.10 0.00 0.00 0.00 0.00 19.45 19.01 2dub n ALA 138 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2dub s LEU 139 N -0.36 3.06 0.00 0.00 1.43 -0.69 -3.08 118.68 119.04 2dub s LEU 139 Ca 0.33 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 2dub s LEU 139 Cb 0.06 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.43 2dub s LEU 139 CO -0.18 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.20 2dub n GLY 140 N 0.80 3.32 0.43 -3.19 0.00 -0.10 -0.33 105.19 106.13 2dub n GLY 140 Ca -0.14 0.04 0.23 0.00 0.00 0.00 0.00 46.02 46.16 2dub n GLY 140 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2dub h GLY 141 N 0.00 0.32 1.03 -0.02 0.00 -1.87 0.15 103.07 102.68 2dub h GLY 141 Ca 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 47.33 47.18 2dub h GLY 141 CO 0.00 -0.00 -0.01 -1.33 0.00 0.00 0.00 176.54 175.19 2dub h GLY 142 N 0.15 0.99 1.12 4.60 0.00 -0.80 0.07 103.07 109.20 2dub h GLY 142 Ca 0.41 -0.74 -0.12 0.00 0.00 0.00 0.00 47.33 46.88 2dub h GLY 142 CO -0.07 0.68 -0.17 0.00 0.00 0.00 0.00 176.54 176.98 2dub h GLU 144 N 0.88 0.82 -0.37 0.00 5.08 -0.92 -1.18 114.58 118.88 2dub h GLU 144 Ca 0.12 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 2dub h GLU 144 Cb 0.74 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 2dub h GLU 144 CO 0.06 0.82 0.13 1.25 -1.00 0.00 0.00 179.01 180.27 2dub h LEU 145 N 0.76 0.53 -0.65 1.33 5.85 -0.84 -1.38 115.31 120.91 2dub h LEU 145 Ca 0.15 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2dub h LEU 145 Cb 0.46 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 2dub h LEU 145 CO 0.02 0.58 0.39 0.00 -0.34 0.00 0.00 178.44 179.08 2dub h ALA 146 N 0.97 0.83 0.00 1.25 0.00 -1.18 -2.00 119.26 119.13 2dub h ALA 146 Ca 0.12 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2dub h ALA 146 Cb 0.23 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2dub h ALA 146 CO -0.01 0.31 -0.01 0.52 0.00 0.00 0.00 179.25 180.07 2dub h MET 147 N 0.88 0.00 0.00 0.00 2.86 -0.93 -1.18 114.93 116.57 2dub h MET 147 Ca 0.23 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.87 2dub h MET 147 Cb -0.01 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.65 2dub h MET 147 CO -0.04 0.01 -0.01 0.52 1.06 0.00 0.00 176.91 178.45 2dub h MET 148 N 0.00 0.00 -7.20 1.72 2.07 -0.48 -3.44 114.93 107.59 2dub h MET 148 Ca -0.00 0.00 -0.50 0.00 -2.07 0.00 0.00 59.70 57.13 2dub h MET 148 Cb 0.39 0.00 0.08 0.00 -1.87 0.00 0.00 31.60 30.20 2dub h MET 148 CO 0.00 0.01 0.38 0.00 1.07 0.00 0.00 176.91 178.36 2dub h ASP 150 N 0.20 0.85 -4.34 0.00 3.32 -1.49 -3.45 116.42 111.51 2dub h ASP 150 Ca -0.47 -0.41 -0.46 0.00 0.02 0.00 0.00 57.03 55.71 2dub h ASP 150 Cb 1.23 -0.24 -0.24 0.00 0.22 0.00 0.00 39.33 40.31 2dub h ASP 150 CO 0.56 1.07 -0.80 -0.63 -1.72 0.00 0.00 179.24 177.72 2dub s ILE 151 N -4.60 1.20 -0.10 0.35 1.01 -1.15 -5.05 121.20 112.86 2dub s ILE 151 Ca -0.12 -1.10 0.01 0.00 0.00 0.00 0.00 60.65 59.44 2dub s ILE 151 Cb 0.10 -1.09 0.02 0.00 0.01 0.00 0.00 42.46 41.50 2dub s ILE 151 CO 0.84 -0.02 -0.12 -0.63 0.00 0.00 0.00 174.94 175.02 2dub s ILE 152 N -0.93 1.25 -0.09 2.92 1.01 -1.26 -0.27 121.20 123.83 2dub s ILE 152 Ca 0.02 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.20 2dub s ILE 152 Cb -0.08 -1.18 -0.02 0.00 0.01 0.00 0.00 42.46 41.18 2dub s ILE 152 CO 0.02 0.40 -0.11 -0.31 0.00 0.00 0.00 174.94 174.93 2dub s TYR 153 N 1.21 2.83 -0.01 3.97 1.51 0.44 -2.00 117.35 125.30 2dub s TYR 153 Ca -0.03 -0.28 0.08 0.00 -1.01 0.00 0.00 57.07 55.83 2dub s TYR 153 Cb -0.14 -1.75 -0.02 0.00 -0.11 0.00 0.00 41.96 39.94 2dub s TYR 153 CO -0.04 0.08 -0.25 0.00 -1.11 0.00 0.00 175.55 174.23 2dub s ALA 154 N -0.30 2.24 0.63 3.71 0.00 -0.06 -0.05 121.76 127.93 2dub s ALA 154 Ca 0.03 -1.13 -0.14 0.00 0.00 0.00 0.00 51.96 50.72 2dub s ALA 154 Cb -0.13 -0.59 -0.02 0.00 0.00 0.00 0.00 23.12 22.38 2dub s ALA 154 CO 0.03 0.53 1.05 0.20 0.00 0.00 0.00 175.76 177.57 2dub s GLY 155 N -0.72 1.95 0.46 0.00 0.00 0.12 -0.88 107.32 108.25 2dub s GLY 155 Ca 0.10 0.27 0.28 0.00 0.00 0.00 0.00 44.72 45.38 2dub s GLY 155 CO -0.00 0.58 1.74 -2.09 0.00 0.00 0.00 173.10 173.33 2dub h GLU 156 N 0.04 0.18 -0.47 2.90 4.81 -0.95 -0.76 114.58 120.32 2dub h GLU 156 Ca -0.46 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 58.59 2dub h GLU 156 Cb 1.21 -0.04 -0.10 0.00 0.63 0.00 0.00 28.75 30.45 2dub h GLU 156 CO 0.57 0.12 0.10 1.63 -0.73 0.00 0.00 179.01 180.70 2dub n LYS 157 N -4.46 2.54 -1.37 1.92 5.02 -1.26 -4.64 118.16 115.91 2dub n LYS 157 Ca 0.29 -3.05 -0.31 0.00 -2.02 0.00 0.00 58.31 53.21 2dub n LYS 157 Cb 1.17 -1.94 0.08 0.00 -0.02 0.00 0.00 35.03 34.32 2dub n LYS 157 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dub s ALA 158 N -3.09 2.30 -0.07 7.82 0.00 -0.29 -3.89 121.76 124.54 2dub s ALA 158 Ca 0.47 0.32 -0.03 0.00 0.00 0.00 0.00 51.96 52.72 2dub s ALA 158 Cb 0.40 -3.28 0.04 0.00 0.00 0.00 0.00 23.12 20.28 2dub s ALA 158 CO 0.06 -1.66 0.16 -0.65 0.00 0.00 0.00 175.76 173.67 2dub s GLN 159 N -4.74 0.11 0.06 0.00 -0.21 0.30 -2.94 119.66 112.25 2dub s GLN 159 Ca 0.62 0.38 0.08 0.00 0.02 0.00 0.00 55.36 56.46 2dub s GLN 159 Cb -0.18 -0.15 -0.03 0.00 1.00 0.00 0.00 33.01 33.64 2dub s GLN 159 CO 0.53 -0.16 -0.18 -0.06 -2.12 0.00 0.00 175.29 173.30 2dub s PHE 160 N 1.11 2.55 -0.18 0.91 0.40 -0.60 -1.18 117.98 120.98 2dub s PHE 160 Ca -0.09 -0.26 -0.35 0.00 -0.60 0.00 0.00 56.93 55.63 2dub s PHE 160 Cb -0.11 -1.43 0.14 0.00 0.51 0.00 0.00 43.02 42.14 2dub s PHE 160 CO -0.06 0.29 1.27 0.20 0.70 0.00 0.00 175.22 177.62 2dub s GLY 161 N -1.63 -0.30 -0.51 4.36 0.00 -1.18 -0.50 107.32 107.57 2dub s GLY 161 Ca 0.15 1.51 0.03 0.00 0.00 0.00 0.00 44.72 46.42 2dub s GLY 161 CO 0.07 0.48 0.33 1.20 0.00 0.00 0.00 173.10 175.17 2dub s GLN 162 N -2.31 1.57 0.00 2.90 -1.52 -1.26 -0.92 119.66 118.12 2dub s GLN 162 Ca 0.11 -2.42 0.03 0.00 -1.95 0.00 0.00 55.36 51.14 2dub s GLN 162 Cb 0.00 -2.51 0.13 0.00 -0.22 0.00 0.00 33.01 30.42 2dub s GLN 162 CO -0.04 -1.23 1.10 -0.35 -0.25 0.00 0.00 175.29 174.51 2dub n PRO 163 N 2.97 1.18 -0.34 2.91 -0.04 -1.26 -4.19 135.00 136.23 2dub n PRO 163 Ca 0.15 -0.27 0.21 0.00 -0.04 0.00 0.00 63.50 63.55 2dub n PRO 163 Cb 0.37 -1.08 0.43 0.00 -0.04 0.00 0.00 33.50 33.19 2dub n PRO 163 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2dub h GLU 164 N 0.45 0.44 -0.68 0.54 3.07 -1.90 0.22 114.58 116.73 2dub h GLU 164 Ca 0.00 -0.03 0.03 0.00 -0.50 0.00 0.00 59.36 58.86 2dub h GLU 164 Cb 0.10 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 27.88 2dub h GLU 164 CO 0.00 0.29 0.45 0.97 -1.40 0.00 0.00 179.01 179.32 2dub h ILE 165 N 0.46 1.11 0.00 3.13 6.09 -1.55 -0.23 117.51 126.52 2dub h ILE 165 Ca 0.68 -0.29 0.00 0.00 -1.37 0.00 0.00 64.86 63.89 2dub h ILE 165 Cb 1.46 0.20 0.00 0.00 0.47 0.00 0.00 36.82 38.95 2dub h ILE 165 CO -0.52 0.15 0.00 -0.07 -3.07 0.00 0.00 178.15 174.64 2dub h LEU 166 N 0.84 0.00 -2.80 2.19 3.38 -1.22 -1.82 115.31 115.89 2dub h LEU 166 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 2dub h LEU 166 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2dub h LEU 166 CO -0.07 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.64 2dub n LEU 167 N -2.41 3.63 -0.58 1.67 4.77 -0.17 -4.94 117.00 118.97 2dub n LEU 167 Ca 0.01 -2.00 -0.06 0.00 -0.03 0.00 0.00 56.01 53.93 2dub n LEU 167 Cb 0.19 -0.41 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 2dub n LEU 167 CO 0.19 0.91 -0.07 0.61 -1.33 0.00 0.00 177.39 177.70 2dub n GLY 168 N 1.28 0.46 3.36 -0.72 0.00 -0.68 -5.02 105.19 103.87 2dub n GLY 168 Ca 0.20 -0.71 -0.17 0.00 0.00 0.00 0.00 46.02 45.35 2dub n GLY 168 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2dub s THR 169 N -2.26 0.00 0.29 2.61 -1.32 -0.78 -5.02 115.64 109.17 2dub s THR 169 Ca 0.00 -1.84 0.11 0.00 -1.21 0.00 0.00 61.69 58.75 2dub s THR 169 Cb 0.00 -2.55 -0.05 0.00 -1.51 0.00 0.00 72.50 68.38 2dub s THR 169 CO 0.00 0.00 -0.18 0.27 -2.21 0.00 0.00 174.62 172.50 2dub s ILE 170 N -3.34 2.42 0.26 5.08 -4.36 -1.26 -1.82 121.20 118.19 2dub s ILE 170 Ca 0.37 -2.36 -0.31 0.00 -0.26 0.00 0.00 60.65 58.09 2dub s ILE 170 Cb 0.02 -2.38 -0.13 0.00 1.25 0.00 0.00 42.46 41.22 2dub s ILE 170 CO 0.24 -0.36 1.43 -2.65 0.24 0.00 0.00 174.94 173.84 2dub n PRO 171 N -0.66 2.18 -0.05 0.37 -0.02 -1.26 -4.90 135.00 130.66 2dub n PRO 171 Ca -0.05 0.77 0.02 0.00 -2.02 0.00 0.00 63.50 62.23 2dub n PRO 171 Cb 0.61 -2.45 0.05 0.00 -0.02 0.00 0.00 33.50 31.69 2dub n PRO 171 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dub n GLY 172 N 1.97 3.22 2.59 -1.23 0.00 -1.26 -4.66 105.19 105.83 2dub n GLY 172 Ca 0.10 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 2dub n GLY 172 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dub n ALA 173 N -0.45 3.90 -0.69 4.61 0.00 -1.26 -4.92 120.51 121.69 2dub n ALA 173 Ca 0.04 -3.48 0.00 0.00 0.00 0.00 0.00 53.44 50.01 2dub n ALA 173 Cb 0.34 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.01 2dub n ALA 173 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dub n GLY 174 N -0.27 0.75 0.31 0.00 0.00 -1.26 -4.81 105.19 99.92 2dub n GLY 174 Ca 0.19 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.25 2dub n GLY 174 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2dub h GLY 175 N 0.00 0.63 1.02 -0.02 0.00 -1.91 0.13 103.07 102.92 2dub h GLY 175 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2dub h GLY 175 CO 0.00 0.23 -0.43 -1.30 0.00 0.00 0.00 176.54 175.04 2dub n THR 176 N -4.47 0.00 -0.11 4.70 -2.24 -1.26 -3.53 114.28 107.37 2dub n THR 176 Ca 0.04 -0.01 -0.20 0.00 -2.27 0.00 0.00 64.05 61.61 2dub n THR 176 Cb 0.06 0.19 -0.07 0.00 -2.10 0.00 0.00 70.33 68.41 2dub n THR 176 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dub n GLN 177 N -1.42 0.55 0.07 -0.78 1.13 -0.66 -4.08 117.38 112.19 2dub n GLN 177 Ca 0.06 0.23 -0.07 0.00 -1.94 0.00 0.00 57.00 55.29 2dub n GLN 177 Cb 0.34 -1.44 0.09 0.00 0.11 0.00 0.00 30.24 29.33 2dub n GLN 177 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2dub h ARG 178 N -0.98 0.29 -0.06 -1.09 3.08 -0.99 -2.21 114.38 112.42 2dub h ARG 178 Ca -0.38 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.44 2dub h ARG 178 Cb 1.32 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.41 2dub h ARG 178 CO -0.23 0.84 -0.01 1.25 -1.07 0.00 0.00 179.97 180.75 2dub h LEU 179 N 0.21 0.12 -0.08 3.04 5.85 -1.69 -2.30 115.31 120.46 2dub h LEU 179 Ca -0.01 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 58.36 2dub h LEU 179 Cb 1.18 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 2dub h LEU 179 CO 0.10 0.44 0.03 0.74 -0.34 0.00 0.00 178.44 179.42 2dub h THR 180 N -0.21 0.99 0.00 1.05 2.02 -1.70 0.22 112.91 115.28 2dub h THR 180 Ca 0.02 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 2dub h THR 180 Cb 0.39 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2dub h THR 180 CO 0.01 0.01 -0.00 0.03 0.37 0.00 0.00 175.52 175.93 2dub h ARG 181 N 0.07 0.00 0.04 6.66 3.08 -1.39 0.24 114.38 123.08 2dub h ARG 181 Ca 0.03 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.73 2dub h ARG 181 Cb 0.01 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.01 2dub h ARG 181 CO -0.03 0.00 -2.14 0.00 -1.07 0.00 0.00 179.97 176.74 2dub n ALA 182 N -2.36 1.31 0.50 0.04 0.00 -0.87 -4.60 120.51 114.53 2dub n ALA 182 Ca -0.03 -0.93 0.09 0.00 0.00 0.00 0.00 53.44 52.57 2dub n ALA 182 Cb 0.09 -0.47 -0.12 0.00 0.00 0.00 0.00 19.45 18.95 2dub n ALA 182 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2dub n VAL 183 N -3.16 0.00 0.00 0.00 0.31 0.73 -4.43 118.33 111.79 2dub n VAL 183 Ca -0.32 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 63.80 2dub n VAL 183 Cb 1.06 0.64 0.00 0.00 -0.91 0.00 0.00 33.84 34.63 2dub n VAL 183 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2dub n GLY 184 N 1.44 0.73 0.16 2.92 0.00 0.83 -4.55 105.19 106.72 2dub n GLY 184 Ca 0.01 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.22 2dub n GLY 184 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2dub h LYS 185 N 0.00 0.45 0.38 1.61 3.64 -1.95 -2.10 116.57 118.60 2dub h LYS 185 Ca 0.00 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2dub h LYS 185 Cb 0.00 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 2dub h LYS 185 CO 0.00 0.35 -0.45 1.03 -2.27 0.00 0.00 179.45 178.11 2dub h SER 186 N 0.42 -1.24 -0.60 4.20 0.87 -1.97 0.12 113.55 115.35 2dub h SER 186 Ca 0.12 0.11 -0.09 0.00 -1.23 0.00 0.00 61.79 60.70 2dub h SER 186 Cb 0.02 0.42 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 2dub h SER 186 CO -0.02 -0.58 0.02 0.25 -0.53 0.00 0.00 176.83 175.97 2dub h LEU 187 N -0.86 1.03 -0.59 2.23 5.85 -1.80 -1.73 115.31 119.44 2dub h LEU 187 Ca -0.03 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.40 2dub h LEU 187 Cb 0.78 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 2dub h LEU 187 CO -0.10 1.07 0.38 0.00 -0.34 0.00 0.00 178.44 179.45 2dub h ALA 188 N 0.99 0.75 -0.60 1.25 0.00 -1.20 -0.53 119.26 119.93 2dub h ALA 188 Ca 0.17 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2dub h ALA 188 Cb 0.53 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 2dub h ALA 188 CO 0.03 0.15 0.26 0.52 0.00 0.00 0.00 179.25 180.21 2dub h MET 189 N 0.76 0.88 -0.28 0.00 2.86 -0.59 -0.59 114.93 117.98 2dub h MET 189 Ca 0.22 -0.15 0.01 0.00 -2.06 0.00 0.00 59.70 57.73 2dub h MET 189 Cb -0.05 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.45 2dub h MET 189 CO -0.07 0.73 0.17 1.49 1.06 0.00 0.00 176.91 180.29 2dub h GLU 190 N 0.82 0.33 -0.07 1.72 4.81 -0.78 -0.40 114.58 121.01 2dub h GLU 190 Ca 0.20 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.40 2dub h GLU 190 Cb 0.17 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 2dub h GLU 190 CO -0.02 0.22 -0.02 0.52 -0.73 0.00 0.00 179.01 178.98 2dub h MET 191 N 0.34 0.14 -0.43 1.92 2.86 -0.92 -2.45 114.93 116.39 2dub h MET 191 Ca 0.11 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.59 2dub h MET 191 Cb -0.01 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 2dub h MET 191 CO -0.04 0.47 -0.16 0.28 1.06 0.00 0.00 176.91 178.51 2dub h VAL 192 N -0.20 1.27 0.00 -2.22 2.07 -1.08 0.18 116.25 116.27 2dub h VAL 192 Ca 0.02 -1.26 -0.06 0.00 0.82 0.00 0.00 66.70 66.22 2dub h VAL 192 Cb 0.42 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2dub h VAL 192 CO 0.01 0.43 -0.47 -0.07 0.02 0.00 0.00 177.57 177.48 2dub h LEU 193 N 0.72 0.00 0.00 2.57 3.38 -1.12 -3.37 115.31 117.49 2dub h LEU 193 Ca 0.11 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 2dub h LEU 193 Cb 0.67 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 2dub h LEU 193 CO 0.05 0.25 -1.61 0.35 0.09 0.00 0.00 178.44 177.56 2dub n THR 194 N -3.07 0.41 -0.91 0.22 -2.24 -0.92 -4.98 114.28 102.79 2dub n THR 194 Ca 0.01 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 2dub n THR 194 Cb 0.64 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 2dub n THR 194 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dub n GLY 195 N 2.17 0.53 3.76 3.38 0.00 0.65 -4.83 105.19 110.85 2dub n GLY 195 Ca -0.11 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 2dub n GLY 195 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dub s ASP 196 N -2.12 5.20 0.17 1.61 1.11 -1.24 -4.41 116.67 116.99 2dub s ASP 196 Ca 0.00 2.29 0.02 0.00 0.18 0.00 0.00 52.55 55.05 2dub s ASP 196 Cb 0.00 -2.59 -0.04 0.00 1.07 0.00 0.00 42.92 41.37 2dub s ASP 196 CO 0.00 -1.58 0.31 -0.13 1.18 0.00 0.00 175.17 174.95 2dub s ARG 197 N -3.46 3.45 0.13 8.23 0.52 -1.26 -4.43 118.95 122.13 2dub s ARG 197 Ca 0.75 -0.58 0.09 0.00 -0.52 0.00 0.00 55.73 55.47 2dub s ARG 197 Cb -0.28 -2.94 -0.04 0.00 0.52 0.00 0.00 34.95 32.22 2dub s ARG 197 CO 0.34 0.49 -0.22 0.96 0.02 0.00 0.00 175.30 176.89 2dub s ILE 198 N -1.79 1.91 0.93 1.52 -4.36 0.35 -4.95 121.20 114.81 2dub s ILE 198 Ca 0.35 -1.69 -0.14 0.00 -0.26 0.00 0.00 60.65 58.91 2dub s ILE 198 Cb -0.11 -1.75 0.15 0.00 1.25 0.00 0.00 42.46 42.00 2dub s ILE 198 CO 0.29 -0.07 1.19 -0.94 0.24 0.00 0.00 174.94 175.65 2dub s SER 199 N -2.12 3.40 0.18 4.36 1.04 -1.26 -1.56 113.70 117.75 2dub s SER 199 Ca 0.11 0.72 -0.10 0.00 0.48 0.00 0.00 55.95 57.16 2dub s SER 199 Cb -0.09 -1.12 0.09 0.00 0.10 0.00 0.00 66.02 65.01 2dub s SER 199 CO 0.05 -2.59 1.71 0.00 0.98 0.00 0.00 173.24 173.39 2dub h ALA 200 N -1.53 0.85 -0.84 5.32 0.00 -1.79 0.14 119.26 121.41 2dub h ALA 200 Ca -0.47 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 2dub h ALA 200 Cb 1.30 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 2dub h ALA 200 CO 0.55 0.54 0.50 1.96 0.00 0.00 0.00 179.25 182.80 2dub h GLN 201 N 0.95 1.14 -0.15 0.00 7.50 -1.90 0.03 115.11 122.68 2dub h GLN 201 Ca 0.21 -0.11 -0.02 0.00 0.50 0.00 0.00 58.65 59.23 2dub h GLN 201 Cb 0.32 -0.24 -0.01 0.00 0.05 0.00 0.00 27.48 27.60 2dub h GLN 201 CO -0.00 0.80 0.01 -0.44 -1.50 0.00 0.00 178.83 177.70 2dub h ASP 202 N 1.15 0.24 -0.90 1.46 3.32 -1.81 -1.08 116.42 118.80 2dub h ASP 202 Ca 0.30 -0.28 0.03 0.00 0.02 0.00 0.00 57.03 57.09 2dub h ASP 202 Cb -0.04 -0.07 -0.05 0.00 0.22 0.00 0.00 39.33 39.40 2dub h ASP 202 CO -0.06 0.46 0.60 0.00 -1.72 0.00 0.00 179.24 178.52 2dub h ALA 203 N 0.79 1.40 -0.08 3.45 0.00 -0.57 -0.31 119.26 123.94 2dub h ALA 203 Ca 0.04 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2dub h ALA 203 Cb 0.33 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2dub h ALA 203 CO 0.00 0.52 -0.16 -0.22 0.00 0.00 0.00 179.25 179.39 2dub h LYS 204 N 1.16 0.25 -0.62 0.00 3.64 -0.88 0.39 116.57 120.52 2dub h LYS 204 Ca 0.35 -0.16 0.04 0.00 -1.27 0.00 0.00 60.65 59.60 2dub h LYS 204 Cb -0.03 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.77 2dub h LYS 204 CO -0.10 0.75 0.41 0.37 -2.27 0.00 0.00 179.45 178.62 2dub h GLN 205 N -0.21 0.69 0.00 1.90 5.75 -0.93 -1.22 115.11 121.08 2dub h GLN 205 Ca 0.00 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 2dub h GLN 205 Cb 0.75 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.14 2dub h GLN 205 CO 0.04 0.45 -0.10 0.00 -2.65 0.00 0.00 178.83 176.57 2dub n ALA 206 N -2.46 2.39 -0.26 3.38 0.00 -0.15 -4.93 120.51 118.48 2dub n ALA 206 Ca 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2dub n ALA 206 Cb 0.15 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.18 2dub n ALA 206 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dub n GLY 207 N 1.33 0.83 0.25 0.00 0.00 -0.46 -4.26 105.19 102.88 2dub n GLY 207 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 2dub n GLY 207 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2dub h LEU 208 N 0.00 0.98 -8.61 0.99 5.85 -0.47 -3.45 115.31 110.60 2dub h LEU 208 Ca 0.00 -0.50 -0.54 0.00 0.84 0.00 0.00 57.88 57.68 2dub h LEU 208 Cb 0.00 -0.28 -0.22 0.00 0.37 0.00 0.00 40.66 40.53 2dub h LEU 208 CO 0.00 1.28 -0.82 0.68 -0.34 0.00 0.00 178.44 179.24 2dub s VAL 209 N -4.28 1.62 -0.75 1.05 -7.23 -1.07 -4.72 120.40 105.02 2dub s VAL 209 Ca -0.11 -1.45 0.22 0.00 -1.81 0.00 0.00 61.98 58.83 2dub s VAL 209 Cb 0.10 -1.47 -0.20 0.00 0.56 0.00 0.00 36.38 35.37 2dub s VAL 209 CO 0.88 -0.04 0.90 -1.54 -0.31 0.00 0.00 175.10 174.99 2dub n SER 210 N 1.25 0.70 -3.80 4.85 3.41 -0.85 -4.15 113.62 115.03 2dub n SER 210 Ca -0.19 -0.60 -0.12 0.00 -0.26 0.00 0.00 58.87 57.70 2dub n SER 210 Cb 0.54 1.07 -0.09 0.00 -0.26 0.00 0.00 64.21 65.46 2dub n SER 210 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2dub s LYS 211 N -3.13 0.64 -0.09 4.33 -0.14 -1.25 -5.08 119.74 115.02 2dub s LYS 211 Ca 0.05 -0.32 0.01 0.00 -1.36 0.00 0.00 55.97 54.35 2dub s LYS 211 Cb 0.15 0.28 0.02 0.00 -1.68 0.00 0.00 37.83 36.60 2dub s LYS 211 CO 0.85 -0.18 -0.12 0.42 -0.76 0.00 0.00 175.35 175.57 2dub s ILE 212 N -1.58 1.18 0.16 2.17 1.01 -1.26 -0.88 121.20 122.00 2dub s ILE 212 Ca -0.12 -0.46 0.06 0.00 0.00 0.00 0.00 60.65 60.13 2dub s ILE 212 Cb -0.05 -1.11 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 2dub s ILE 212 CO 0.02 0.38 -0.14 -0.36 0.00 0.00 0.00 174.94 174.84 2dub s PHE 213 N 1.00 1.51 0.55 3.97 0.08 -0.06 -4.93 117.98 120.10 2dub s PHE 213 Ca -0.08 -0.60 -0.21 0.00 0.12 0.00 0.00 56.93 56.16 2dub s PHE 213 Cb -0.15 -0.75 -0.05 0.00 -0.57 0.00 0.00 43.02 41.50 2dub s PHE 213 CO -0.01 0.22 1.25 -2.30 -0.10 0.00 0.00 175.22 174.29 2dub n PRO 214 N 0.03 1.49 -0.27 0.24 -0.02 -1.26 -0.34 135.00 134.87 2dub n PRO 214 Ca -0.12 0.55 0.08 0.00 -2.02 0.00 0.00 63.50 61.99 2dub n PRO 214 Cb 0.59 -2.45 0.21 0.00 -0.02 0.00 0.00 33.50 31.83 2dub n PRO 214 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2dub h VAL 215 N 1.22 0.43 -0.01 -1.45 2.07 -1.94 -1.05 116.25 115.52 2dub h VAL 215 Ca -0.50 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 66.87 2dub h VAL 215 Cb 1.32 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2dub h VAL 215 CO 0.56 0.04 -0.31 -0.33 0.02 0.00 0.00 177.57 177.54 2dub h GLU 216 N 0.23 0.02 -0.01 1.57 3.07 -2.01 -3.23 114.58 114.21 2dub h GLU 216 Ca 0.46 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.31 2dub h GLU 216 Cb 0.83 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.74 2dub h GLU 216 CO -0.58 0.33 -0.14 0.25 -1.40 0.00 0.00 179.01 177.48 2dub n THR 217 N -4.16 0.00 -0.10 1.13 -2.24 -0.85 -4.72 114.28 103.35 2dub n THR 217 Ca -0.02 -0.43 -0.12 0.00 -2.27 0.00 0.00 64.05 61.21 2dub n THR 217 Cb 0.36 1.23 -0.07 0.00 -2.10 0.00 0.00 70.33 69.76 2dub n THR 217 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2dub h LEU 218 N 2.21 -1.58 -1.44 3.22 5.85 -1.23 0.54 115.31 122.89 2dub h LEU 218 Ca 0.00 0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 2dub h LEU 218 Cb 0.54 0.66 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 2dub h LEU 218 CO 0.00 -0.40 0.18 0.58 -0.34 0.00 0.00 178.44 178.45 2dub h VAL 219 N -0.41 1.15 -0.11 1.05 2.07 -1.84 -0.64 116.25 117.51 2dub h VAL 219 Ca 0.10 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.18 2dub h VAL 219 Cb 0.61 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2dub h VAL 219 CO -0.54 0.17 0.03 -0.08 0.02 0.00 0.00 177.57 177.17 2dub h GLU 220 N 0.56 0.18 -0.83 1.57 4.81 -1.62 -1.63 114.58 117.61 2dub h GLU 220 Ca 0.14 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 2dub h GLU 220 Cb 0.09 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 2dub h GLU 220 CO -0.02 0.35 0.49 0.93 -0.73 0.00 0.00 179.01 180.03 2dub h GLU 221 N -0.02 1.12 -0.15 1.92 4.39 -0.35 -1.00 114.58 120.48 2dub h GLU 221 Ca 0.04 -0.10 -0.09 0.00 0.34 0.00 0.00 59.36 59.54 2dub h GLU 221 Cb 0.25 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 2dub h GLU 221 CO 0.00 0.79 -0.30 0.00 -1.16 0.00 0.00 179.01 178.34 2dub h ALA 222 N 1.40 1.21 -0.23 3.43 0.00 -0.97 -2.11 119.26 121.99 2dub h ALA 222 Ca 0.30 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 2dub h ALA 222 Cb -0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2dub h ALA 222 CO -0.05 0.52 -0.45 0.82 0.00 0.00 0.00 179.25 180.09 2dub h ILE 223 N 0.26 1.31 -0.70 0.00 2.04 -0.31 -1.26 117.51 118.86 2dub h ILE 223 Ca 0.04 -1.64 -0.04 0.00 1.00 0.00 0.00 64.86 64.22 2dub h ILE 223 Cb 0.66 1.61 -0.03 0.00 -0.74 0.00 0.00 36.82 38.33 2dub h ILE 223 CO 0.05 0.52 0.28 1.56 0.00 0.00 0.00 178.15 180.55 2dub h GLN 224 N 0.47 1.04 -0.61 2.37 4.20 -0.76 0.95 115.11 122.77 2dub h GLN 224 Ca 0.03 -0.19 -0.09 0.00 0.06 0.00 0.00 58.65 58.46 2dub h GLN 224 Cb 0.96 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 2dub h GLN 224 CO 0.09 0.86 0.04 0.00 -0.67 0.00 0.00 178.83 179.15 2dub h ALA 226 N 1.00 1.51 0.77 0.00 0.00 -0.62 -2.36 119.26 119.55 2dub h ALA 226 Ca 0.18 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2dub h ALA 226 Cb 0.51 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.25 2dub h ALA 226 CO 0.02 0.36 -0.37 0.93 0.00 0.00 0.00 179.25 180.20 2dub h GLU 227 N 0.09 -0.99 -0.60 0.00 5.08 -0.35 -0.18 114.58 117.62 2dub h GLU 227 Ca 0.02 0.07 0.12 0.00 -1.00 0.00 0.00 59.36 58.56 2dub h GLU 227 Cb 0.47 0.23 -0.12 0.00 0.50 0.00 0.00 28.75 29.83 2dub h GLU 227 CO 0.03 -0.65 -0.23 0.87 -1.00 0.00 0.00 179.01 178.04 2dub h LYS 228 N -1.12 -0.07 -0.62 2.33 1.57 -1.16 0.22 116.57 117.71 2dub h LYS 228 Ca -0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2dub h LYS 228 Cb 0.81 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.10 2dub h LYS 228 CO 0.17 -0.05 0.40 0.82 -0.57 0.00 0.00 179.45 180.22 2dub h ILE 229 N -0.08 1.17 0.00 1.86 2.04 -1.34 -1.73 117.51 119.44 2dub h ILE 229 Ca 0.28 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.80 2dub h ILE 229 Cb 0.51 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2dub h ILE 229 CO -0.66 0.17 0.00 0.00 0.00 0.00 0.00 178.15 177.66 2dub h ALA 230 N 1.21 1.00 -0.53 1.87 0.00 0.84 -2.33 119.26 121.33 2dub h ALA 230 Ca 0.23 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 2dub h ALA 230 Cb -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2dub h ALA 230 CO -0.05 0.00 -0.03 -0.91 0.00 0.00 0.00 179.25 178.26 2dub h ASN 231 N 0.00 0.89 -3.95 0.00 2.35 -0.10 -3.45 115.58 111.32 2dub h ASN 231 Ca 0.00 -0.25 -0.44 0.00 -0.55 0.00 0.00 56.30 55.06 2dub h ASN 231 Cb 0.26 -0.24 0.16 0.00 0.05 0.00 0.00 38.32 38.56 2dub h ASN 231 CO 0.00 0.97 0.33 0.20 -1.65 0.00 0.00 177.43 177.28 2dub s ASN 232 N -6.63 2.65 0.12 5.81 0.01 -0.88 -4.84 114.94 111.18 2dub s ASN 232 Ca -0.10 0.47 -0.31 0.00 -0.71 0.00 0.00 52.86 52.21 2dub s ASN 232 Cb 0.14 -0.65 -0.08 0.00 0.41 0.00 0.00 41.25 41.06 2dub s ASN 232 CO 0.83 -3.04 1.47 -0.55 -1.51 0.00 0.00 177.10 174.31 2dub s SER 233 N -4.51 6.73 0.22 -1.22 0.15 -1.26 -4.92 113.70 108.89 2dub s SER 233 Ca 0.71 2.42 -0.05 0.00 0.70 0.00 0.00 55.95 59.73 2dub s SER 233 Cb -0.07 -2.58 0.21 0.00 -1.71 0.00 0.00 66.02 61.86 2dub s SER 233 CO 0.54 -0.73 1.71 0.11 1.20 0.00 0.00 173.24 176.06 2dub h LYS 234 N 7.01 0.95 -0.59 5.44 1.57 -1.89 0.49 116.57 129.54 2dub h LYS 234 Ca -0.42 -0.27 -0.10 0.00 -1.87 0.00 0.00 60.65 57.99 2dub h LYS 234 Cb 1.20 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 2dub h LYS 234 CO 0.89 0.92 -0.04 0.97 -0.57 0.00 0.00 179.45 181.62 2dub h ILE 235 N 0.88 1.27 -0.21 1.86 2.10 -1.91 -0.99 117.51 120.50 2dub h ILE 235 Ca 0.17 -1.20 -0.18 0.00 1.08 0.00 0.00 64.86 64.73 2dub h ILE 235 Cb 0.48 0.84 -0.00 0.00 -1.09 0.00 0.00 36.82 37.05 2dub h ILE 235 CO 0.02 0.43 -0.60 0.40 -1.08 0.00 0.00 178.15 177.33 2dub h ILE 236 N 0.97 1.30 -0.68 2.19 1.08 -1.91 -2.46 117.51 118.00 2dub h ILE 236 Ca 0.16 -1.83 -0.05 0.00 -0.39 0.00 0.00 64.86 62.76 2dub h ILE 236 Cb 0.60 1.77 -0.03 0.00 -3.07 0.00 0.00 36.82 36.10 2dub h ILE 236 CO 0.04 0.58 0.24 0.58 -0.69 0.00 0.00 178.15 178.90 2dub h VAL 237 N 0.52 1.24 -0.52 1.67 2.07 -0.72 -0.63 116.25 119.89 2dub h VAL 237 Ca -0.00 -0.80 -0.07 0.00 0.82 0.00 0.00 66.70 66.65 2dub h VAL 237 Cb 1.18 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 2dub h VAL 237 CO 0.12 0.32 0.04 0.00 0.02 0.00 0.00 177.57 178.07 2dub h ALA 238 N 1.26 1.11 -0.32 1.67 0.00 -1.02 -1.21 119.26 120.74 2dub h ALA 238 Ca 0.23 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2dub h ALA 238 Cb 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2dub h ALA 238 CO -0.01 0.58 -0.22 0.52 0.00 0.00 0.00 179.25 180.12 2dub h MET 239 N 0.79 0.72 -0.37 0.00 2.07 -0.95 -2.04 114.93 115.14 2dub h MET 239 Ca 0.16 -0.34 -0.01 0.00 -2.07 0.00 0.00 59.70 57.44 2dub h MET 239 Cb 0.41 -0.01 -0.02 0.00 -1.87 0.00 0.00 31.60 30.12 2dub h MET 239 CO 0.01 0.95 0.18 0.00 1.07 0.00 0.00 176.91 179.13 2dub h ALA 240 N 0.75 0.48 -0.91 6.32 0.00 -0.86 -0.87 119.26 124.18 2dub h ALA 240 Ca 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2dub h ALA 240 Cb 0.77 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 2dub h ALA 240 CO 0.06 0.04 0.50 -0.22 0.00 0.00 0.00 179.25 179.62 2dub h LYS 241 N 0.47 1.26 -0.41 0.00 3.64 -1.21 -0.60 116.57 119.72 2dub h LYS 241 Ca 0.13 -0.15 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 2dub h LYS 241 Cb 0.11 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 2dub h LYS 241 CO -0.02 0.92 -0.04 1.49 -2.27 0.00 0.00 179.45 179.53 2dub h GLU 242 N 1.27 0.69 -0.02 1.90 4.81 -1.00 -1.66 114.58 120.58 2dub h GLU 242 Ca 0.32 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2dub h GLU 242 Cb 0.03 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 2dub h GLU 242 CO -0.05 0.73 -0.00 1.03 -0.73 0.00 0.00 179.01 179.99 2dub h SER 243 N 0.64 0.03 -0.91 1.04 0.87 -0.37 -2.11 113.55 112.75 2dub h SER 243 Ca 0.12 -0.38 0.03 0.00 -1.23 0.00 0.00 61.79 60.34 2dub h SER 243 Cb 0.46 -0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.36 2dub h SER 243 CO 0.02 0.40 0.59 0.58 -0.53 0.00 0.00 176.83 177.89 2dub h VAL 244 N -0.34 1.15 -0.43 2.23 2.07 -1.05 -1.76 116.25 118.12 2dub h VAL 244 Ca 0.00 -0.39 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 2dub h VAL 244 Cb 0.39 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 2dub h VAL 244 CO 0.00 0.21 0.17 0.78 0.02 0.00 0.00 177.57 178.75 2dub h ASN 245 N 1.14 0.55 0.17 0.57 2.35 -1.20 -1.74 115.58 117.43 2dub h ASN 245 Ca 0.36 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 2dub h ASN 245 Cb 0.00 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.23 2dub h ASN 245 CO -0.12 0.51 0.00 0.00 -1.65 0.00 0.00 177.43 176.17 2dub h ALA 246 N 1.58 1.00 0.00 -0.83 0.00 -0.61 -2.16 119.26 118.24 2dub h ALA 246 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2dub h ALA 246 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2dub h ALA 246 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.24 2dub h ALA 247 N 2.02 1.00 -0.20 0.00 0.00 -1.31 -1.30 119.26 119.47 2dub h ALA 247 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2dub h ALA 247 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2dub h ALA 247 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.44 2dub n PHE 248 N -2.43 0.25 0.02 0.00 3.72 -0.81 -4.58 117.46 113.63 2dub n PHE 248 Ca -0.02 -0.22 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 2dub n PHE 248 Cb 0.05 -0.01 0.01 0.00 -0.94 0.00 0.00 39.48 38.59 2dub n PHE 248 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2dub n GLU 249 N 0.80 0.53 -3.82 -1.08 -0.58 -0.49 -5.08 120.64 110.91 2dub n GLU 249 Ca 0.11 -0.91 -0.05 0.00 -0.42 0.00 0.00 57.16 55.88 2dub n GLU 249 Cb 0.41 -1.02 -0.02 0.00 -0.57 0.00 0.00 31.44 30.24 2dub n GLU 249 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dub s MET 250 N -0.41 1.55 0.84 3.49 0.23 -1.20 -5.08 119.30 118.71 2dub s MET 250 Ca 0.01 -0.87 -0.10 0.00 -1.03 0.00 0.00 55.69 53.71 2dub s MET 250 Cb 0.01 0.52 0.10 0.00 -1.53 0.00 0.00 34.83 33.93 2dub s MET 250 CO 0.01 -0.71 1.12 0.95 -2.03 0.00 0.00 175.02 174.36 2dub s THR 251 N -3.58 2.76 0.24 3.16 -4.23 -1.26 -4.71 115.64 108.01 2dub s THR 251 Ca 0.12 0.25 -0.05 0.00 -1.18 0.00 0.00 61.69 60.82 2dub s THR 251 Cb -0.04 -2.52 0.20 0.00 1.34 0.00 0.00 72.50 71.47 2dub s THR 251 CO 0.05 -0.32 1.80 0.25 -0.54 0.00 0.00 174.62 175.86 2dub h LEU 252 N -1.47 0.58 0.10 4.79 5.85 -1.97 0.16 115.31 123.34 2dub h LEU 252 Ca -0.43 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.36 2dub h LEU 252 Cb 1.25 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 2dub h LEU 252 CO 0.47 0.33 -0.25 0.74 -0.34 0.00 0.00 178.44 179.39 2dub h THR 253 N 0.70 0.45 -0.19 1.05 2.02 -1.99 0.27 112.91 115.21 2dub h THR 253 Ca 0.38 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.44 2dub h THR 253 Cb 0.37 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2dub h THR 253 CO -0.26 0.00 -0.40 -0.33 0.37 0.00 0.00 175.52 174.90 2dub h GLU 254 N -0.44 0.44 -0.54 6.66 4.39 -1.83 -2.09 114.58 121.17 2dub h GLU 254 Ca 0.03 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.52 2dub h GLU 254 Cb 0.48 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 2dub h GLU 254 CO -0.15 0.77 0.34 0.78 -1.16 0.00 0.00 179.01 179.59 2dub h GLY 255 N 1.12 0.77 1.46 -3.84 0.00 -0.34 0.69 103.07 102.92 2dub h GLY 255 Ca 0.03 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 47.00 2dub h GLY 255 CO 0.07 0.29 0.02 3.43 0.00 0.00 0.00 176.54 180.35 2dub h ASN 256 N 0.72 0.63 -0.41 0.19 2.35 -0.76 0.20 115.58 118.51 2dub h ASN 256 Ca 0.19 -0.13 -0.09 0.00 -0.55 0.00 0.00 56.30 55.72 2dub h ASN 256 Cb -0.05 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 2dub h ASN 256 CO -0.04 0.69 -0.11 0.11 -1.65 0.00 0.00 177.43 176.43 2dub h LYS 257 N 0.64 0.80 -0.39 0.81 1.57 -0.67 -0.80 116.57 118.52 2dub h LYS 257 Ca 0.13 -0.31 -0.03 0.00 -1.87 0.00 0.00 60.65 58.57 2dub h LYS 257 Cb 0.37 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 2dub h LYS 257 CO 0.01 0.93 0.11 1.25 -0.57 0.00 0.00 179.45 181.18 2dub h LEU 258 N 0.61 0.58 -0.88 2.94 5.85 -0.53 -1.83 115.31 122.05 2dub h LEU 258 Ca 0.10 -0.22 0.07 0.00 0.84 0.00 0.00 57.88 58.68 2dub h LEU 258 Cb 0.64 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.45 2dub h LEU 258 CO 0.04 0.65 0.55 -0.08 -0.34 0.00 0.00 178.44 179.26 2dub h GLU 259 N 0.49 0.94 -0.10 1.25 4.81 -0.82 -1.38 114.58 119.76 2dub h GLU 259 Ca 0.13 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2dub h GLU 259 Cb 0.28 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2dub h GLU 259 CO -0.00 0.62 0.06 -0.22 -0.73 0.00 0.00 179.01 178.74 2dub h LYS 260 N 0.97 0.14 -0.79 1.92 1.63 -0.69 0.24 116.57 119.98 2dub h LYS 260 Ca 0.40 -0.01 0.04 0.00 -0.85 0.00 0.00 60.65 60.22 2dub h LYS 260 Cb 0.23 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 31.79 2dub h LYS 260 CO -0.19 0.12 0.52 0.87 -3.45 0.00 0.00 179.45 177.32 2dub h LYS 261 N 0.12 0.95 -0.24 1.90 1.79 -0.73 0.88 116.57 121.23 2dub h LYS 261 Ca 0.04 -0.06 -0.17 0.00 -2.18 0.00 0.00 60.65 58.28 2dub h LYS 261 Cb 0.01 -0.21 -0.00 0.00 -1.58 0.00 0.00 32.23 30.45 2dub h LYS 261 CO -0.01 0.63 -0.55 -0.07 -1.08 0.00 0.00 179.45 178.37 2dub h LEU 262 N 0.97 0.81 -0.47 2.94 3.38 -0.80 -1.95 115.31 120.21 2dub h LEU 262 Ca 0.32 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2dub h LEU 262 Cb 0.05 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2dub h LEU 262 CO -0.09 1.20 0.28 0.15 0.09 0.00 0.00 178.44 180.06 2dub h PHE 263 N 0.56 0.62 -0.79 1.13 3.57 0.56 -2.24 116.94 120.36 2dub h PHE 263 Ca 0.01 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 2dub h PHE 263 Cb 1.13 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.63 2dub h PHE 263 CO 0.06 0.44 0.38 1.88 -2.23 0.00 0.00 178.31 178.84 2dub h TYR 264 N 0.62 1.13 -0.96 0.41 0.05 -0.78 -2.71 116.97 114.73 2dub h TYR 264 Ca 0.17 -0.05 0.05 0.00 0.05 0.00 0.00 58.73 58.94 2dub h TYR 264 Cb 0.01 -0.35 -0.06 0.00 1.01 0.00 0.00 36.73 37.33 2dub h TYR 264 CO -0.03 0.82 0.62 0.77 -1.05 0.00 0.00 178.16 179.29 2dub h SER 265 N 1.12 1.01 -0.26 3.88 0.02 -0.79 -1.85 113.55 116.67 2dub h SER 265 Ca 0.27 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.30 2dub h SER 265 Cb 0.12 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 2dub h SER 265 CO -0.03 0.67 0.32 0.71 -1.14 0.00 0.00 176.83 177.35 2dub h THR 266 N 1.17 0.38 0.00 -2.27 1.35 -1.07 0.26 112.91 112.72 2dub h THR 266 Ca 0.40 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.26 2dub h THR 266 Cb 0.08 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 67.24 2dub h THR 266 CO -0.15 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.61 2dub n PHE 267 N -3.68 0.00 0.67 4.73 3.01 -0.70 -2.06 117.46 119.44 2dub n PHE 267 Ca 0.04 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.60 2dub n PHE 267 Cb 0.45 -0.47 0.27 0.00 -0.01 0.00 0.00 39.48 39.73 2dub n PHE 267 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2dub n ALA 268 N -1.47 2.45 -2.64 4.37 0.00 0.90 -4.92 120.51 119.21 2dub n ALA 268 Ca 0.06 -0.79 -0.25 0.00 0.00 0.00 0.00 53.44 52.46 2dub n ALA 268 Cb 0.23 -0.98 -0.08 0.00 0.00 0.00 0.00 19.45 18.62 2dub n ALA 268 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2dub s THR 269 N -1.54 3.54 0.15 0.00 -4.23 -0.87 -5.03 115.64 107.65 2dub s THR 269 Ca 0.35 -1.66 -0.03 0.00 -1.18 0.00 0.00 61.69 59.17 2dub s THR 269 Cb 0.19 -2.82 -0.16 0.00 1.34 0.00 0.00 72.50 71.05 2dub s THR 269 CO 0.27 -0.22 1.35 0.44 -0.54 0.00 0.00 174.62 175.91 2dub h ASP 270 N 2.39 0.49 -0.17 3.99 3.32 -1.45 -3.21 116.42 121.78 2dub h ASP 270 Ca -0.46 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.21 2dub h ASP 270 Cb 1.22 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 2dub h ASP 270 CO 0.58 1.15 0.09 0.44 -1.72 0.00 0.00 179.24 179.79 2dub h ASP 271 N 0.23 0.24 -0.11 6.45 3.32 -0.58 0.39 116.42 126.36 2dub h ASP 271 Ca -0.06 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.89 2dub h ASP 271 Cb 1.49 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.99 2dub h ASP 271 CO 0.15 0.21 -0.26 -0.09 -1.72 0.00 0.00 179.24 177.52 2dub h ARG 272 N 0.27 0.37 -0.31 3.56 2.43 -1.75 0.23 114.38 119.19 2dub h ARG 272 Ca 0.07 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 2dub h ARG 272 Cb 0.03 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 2dub h ARG 272 CO -0.01 0.86 0.20 -0.09 -1.51 0.00 0.00 179.97 179.42 2dub h ARG 273 N -0.07 0.41 -0.50 0.20 2.43 -1.42 -0.39 114.38 115.03 2dub h ARG 273 Ca -0.00 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.15 2dub h ARG 273 Cb 0.87 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.30 2dub h ARG 273 CO 0.06 0.28 0.32 1.49 -1.51 0.00 0.00 179.97 180.61 2dub h GLU 274 N 0.41 0.64 -0.14 0.20 4.57 -0.20 -0.60 114.58 119.45 2dub h GLU 274 Ca 0.11 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 2dub h GLU 274 Cb -0.03 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.41 2dub h GLU 274 CO -0.02 0.42 0.06 0.78 -1.18 0.00 0.00 179.01 179.07 2dub h GLY 275 N 0.66 0.23 0.92 1.92 0.00 -0.19 0.34 103.07 106.95 2dub h GLY 275 Ca 0.19 -0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.36 2dub h GLY 275 CO -0.05 0.11 0.09 -0.33 0.00 0.00 0.00 176.54 176.35 2dub h MET 276 N 0.09 0.60 -0.22 4.80 2.86 -0.98 -2.46 114.93 119.62 2dub h MET 276 Ca 0.05 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 2dub h MET 276 Cb 0.14 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 2dub h MET 276 CO -0.01 0.64 0.15 0.77 1.06 0.00 0.00 176.91 179.52 2dub h SER 277 N 0.46 0.25 -0.97 1.22 0.02 -1.04 -1.00 113.55 112.49 2dub h SER 277 Ca 0.12 -0.01 0.08 0.00 -0.84 0.00 0.00 61.79 61.14 2dub h SER 277 Cb 0.31 -0.06 -0.07 0.00 0.14 0.00 0.00 62.40 62.73 2dub h SER 277 CO 0.00 0.18 0.62 0.00 -1.14 0.00 0.00 176.83 176.50 2dub h ALA 278 N 1.08 1.49 -0.15 3.77 0.00 -0.84 0.52 119.26 125.13 2dub h ALA 278 Ca 0.08 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2dub h ALA 278 Cb -0.03 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 2dub h ALA 278 CO -0.02 0.34 -0.06 0.35 0.00 0.00 0.00 179.25 179.85 2dub h PHE 279 N 1.06 0.36 -0.15 0.00 3.57 -0.97 0.13 116.94 120.94 2dub h PHE 279 Ca 0.43 -0.09 0.02 0.00 3.53 0.00 0.00 57.97 61.86 2dub h PHE 279 Cb 0.28 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 2dub h PHE 279 CO -0.00 0.63 0.04 0.28 -2.23 0.00 0.00 178.31 177.03 2dub h VAL 280 N -0.01 0.95 0.00 1.41 2.07 -0.52 -2.14 116.25 118.01 2dub h VAL 280 Ca 0.04 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2dub h VAL 280 Cb 0.53 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2dub h VAL 280 CO 0.02 0.02 0.00 -0.62 0.02 0.00 0.00 177.57 177.01 2dub n GLU 281 N -5.06 0.99 -4.18 1.57 1.02 0.18 -4.90 120.64 110.25 2dub n GLU 281 Ca -0.04 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.79 2dub n GLU 281 Cb 0.07 -1.24 -0.08 0.00 -0.02 0.00 0.00 31.44 30.16 2dub n GLU 281 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2dub n LYS 282 N -0.25 -0.84 -4.19 3.49 4.76 -0.79 -4.94 118.16 115.40 2dub n LYS 282 Ca 0.00 0.07 -0.11 0.00 -2.87 0.00 0.00 58.31 55.40 2dub n LYS 282 Cb 0.12 -3.18 -0.10 0.00 -1.84 0.00 0.00 35.03 30.03 2dub n LYS 282 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2dub s ARG 283 N -7.14 1.01 0.28 1.97 1.70 0.38 -5.04 118.95 112.12 2dub s ARG 283 Ca 0.07 -1.49 -0.29 0.00 -0.47 0.00 0.00 55.73 53.55 2dub s ARG 283 Cb -0.04 0.04 -0.10 0.00 -0.57 0.00 0.00 34.95 34.29 2dub s ARG 283 CO 0.93 -0.22 1.18 0.21 -1.08 0.00 0.00 175.30 176.32 2dub s LYS 284 N -4.00 4.53 0.21 3.89 2.20 -1.26 -4.29 119.74 121.02 2dub s LYS 284 Ca 0.25 1.94 -0.26 0.00 -0.36 0.00 0.00 55.97 57.54 2dub s LYS 284 Cb 0.07 -3.16 -0.09 0.00 -1.51 0.00 0.00 37.83 33.14 2dub s LYS 284 CO 0.03 0.05 0.83 0.00 -0.36 0.00 0.00 175.35 175.90 2dub s ALA 285 N -0.99 3.39 -0.57 3.13 0.00 -1.26 -4.92 121.76 120.53 2dub s ALA 285 Ca 0.47 0.42 0.01 0.00 0.00 0.00 0.00 51.96 52.86 2dub s ALA 285 Cb -0.34 -3.03 0.15 0.00 0.00 0.00 0.00 23.12 19.89 2dub s ALA 285 CO 0.44 0.26 0.35 -0.80 0.00 0.00 0.00 175.76 176.01 2dub s ASN 286 N -1.29 4.73 0.34 0.00 0.01 -1.26 -5.08 114.94 112.38 2dub s ASN 286 Ca 0.40 -2.97 -0.26 0.00 -0.71 0.00 0.00 52.86 49.32 2dub s ASN 286 Cb -0.22 -1.74 -0.09 0.00 0.41 0.00 0.00 41.25 39.61 2dub s ASN 286 CO 0.26 -0.29 1.03 -0.36 -1.51 0.00 0.00 177.10 176.23 2dub s PHE 287 N -0.23 3.49 -0.05 2.20 0.08 -1.26 -4.96 117.98 117.25 2dub s PHE 287 Ca 0.17 1.71 0.08 0.00 0.12 0.00 0.00 56.93 59.01 2dub s PHE 287 Cb -0.23 -3.10 0.12 0.00 -0.57 0.00 0.00 43.02 39.24 2dub s PHE 287 CO -0.02 -0.33 1.00 1.63 -0.10 0.00 0.00 175.22 177.40 2dub n LYS 288 N 0.46 1.42 -3.52 0.44 4.76 -1.26 -5.01 118.16 115.45 2dub n LYS 288 Ca 0.02 -1.72 -0.20 0.00 -2.87 0.00 0.00 58.31 53.54 2dub n LYS 288 Cb 0.49 -1.05 0.08 0.00 -1.84 0.00 0.00 35.03 32.71 2dub n LYS 288 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2dub n ASP 289 N -0.73 -4.02 0.00 4.39 8.00 -1.26 -5.02 116.55 117.91 2dub n ASP 289 Ca 0.06 -0.59 0.00 0.00 0.71 0.00 0.00 54.79 54.98 2dub n ASP 289 Cb 0.52 -5.06 0.00 0.00 -0.02 0.00 0.00 41.12 36.55 2dub n ASP 289 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81