#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dub s ASN 32 N 0.00 6.23 -0.14 0.00 3.84 -1.26 -5.00 114.94 118.61 1dub s ASN 32 Ca 0.00 -0.59 -0.17 0.00 0.21 0.00 0.00 52.86 52.31 1dub s ASN 32 Cb 0.00 -2.47 -0.04 0.00 -0.55 0.00 0.00 41.25 38.19 1dub s ASN 32 CO 0.00 -1.50 0.44 -0.36 -2.79 0.00 0.00 177.10 172.89 1dub s PHE 33 N 4.56 3.48 -0.06 0.43 0.08 -1.26 -5.00 117.98 120.21 1dub s PHE 33 Ca 0.29 0.81 -0.23 0.00 0.12 0.00 0.00 56.93 57.92 1dub s PHE 33 Cb -0.13 -2.52 -0.31 0.00 -0.57 0.00 0.00 43.02 39.49 1dub s PHE 33 CO 0.15 0.14 0.88 1.96 -0.10 0.00 0.00 175.22 178.26 1dub h GLN 34 N 6.82 0.27 0.00 0.44 4.20 -1.96 -3.40 115.11 121.49 1dub h GLN 34 Ca -0.40 -0.47 0.00 0.00 0.06 0.00 0.00 58.65 57.84 1dub h GLN 34 Cb 1.17 0.17 0.00 0.00 0.30 0.00 0.00 27.48 29.13 1dub h GLN 34 CO 0.75 1.22 -0.99 0.66 -0.67 0.00 0.00 178.83 179.81 1dub n TYR 35 N -4.17 0.00 -4.18 2.96 4.01 -1.26 -4.94 117.16 109.58 1dub n TYR 35 Ca -0.14 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.50 1dub n TYR 35 Cb 0.79 -0.04 -0.10 0.00 -0.31 0.00 0.00 39.34 39.68 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 -2.83 0.56 -0.16 -0.72 -4.36 -1.26 0.20 121.20 112.63 1dub s ILE 36 Ca 0.06 -1.93 0.01 0.00 -0.26 0.00 0.00 60.65 58.53 1dub s ILE 36 Cb 0.14 -1.82 0.02 0.00 1.25 0.00 0.00 42.46 42.05 1dub s ILE 36 CO 0.78 -0.74 -0.18 -0.63 0.24 0.00 0.00 174.94 174.41 1dub s ILE 37 N -3.72 1.82 0.11 8.37 1.01 0.15 -4.68 121.20 124.26 1dub s ILE 37 Ca 0.16 -0.80 0.05 0.00 0.00 0.00 0.00 60.65 60.05 1dub s ILE 37 Cb 0.06 -1.67 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 1dub s ILE 37 CO -0.02 0.50 0.03 0.42 0.00 0.00 0.00 174.94 175.87 1dub s THR 38 N 1.29 4.16 -0.02 2.92 -4.23 -1.26 -0.19 115.64 118.31 1dub s THR 38 Ca 0.03 -0.99 -0.21 0.00 -1.18 0.00 0.00 61.69 59.34 1dub s THR 38 Cb -0.13 -3.02 0.04 0.00 1.34 0.00 0.00 72.50 70.73 1dub s THR 38 CO -0.10 0.07 0.44 -0.70 -0.54 0.00 0.00 174.62 173.79 1dub s GLU 39 N -2.49 0.82 -0.28 3.99 2.12 0.42 -4.99 118.70 118.29 1dub s GLU 39 Ca 0.27 -0.05 -0.06 0.00 0.36 0.00 0.00 54.97 55.49 1dub s GLU 39 Cb -0.11 0.37 0.01 0.00 0.26 0.00 0.00 34.13 34.66 1dub s GLU 39 CO 0.20 -0.24 0.07 0.15 -0.54 0.00 0.00 175.26 174.89 1dub s LYS 40 N -1.37 3.14 0.20 4.30 1.02 -1.26 0.73 119.74 126.50 1dub s LYS 40 Ca -0.12 -0.82 0.01 0.00 0.02 0.00 0.00 55.97 55.06 1dub s LYS 40 Cb -0.03 -3.33 0.01 0.00 -0.52 0.00 0.00 37.83 33.95 1dub s LYS 40 CO 0.06 -0.40 0.04 1.63 -0.92 0.00 0.00 175.35 175.75 1dub n LYS 41 N 4.86 1.44 -0.61 1.68 4.76 0.24 -4.86 118.16 125.67 1dub n LYS 41 Ca -0.15 -1.36 0.08 0.00 -2.87 0.00 0.00 58.31 54.01 1dub n LYS 41 Cb 0.48 0.31 -0.03 0.00 -1.84 0.00 0.00 35.03 33.95 1dub n LYS 41 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1dub n GLY 42 N 2.67 -2.24 3.63 0.72 0.00 -1.26 -1.11 105.19 107.59 1dub n GLY 42 Ca -0.06 -1.33 -0.47 0.00 0.00 0.00 0.00 46.02 44.16 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 -3.26 1.61 -1.61 1.61 4.81 -1.26 0.10 118.16 120.16 1dub n LYS 43 Ca -0.02 0.57 -0.17 0.00 -0.87 0.00 0.00 58.31 57.82 1dub n LYS 43 Cb 0.28 -2.18 -0.07 0.00 0.02 0.00 0.00 35.03 33.09 1dub n LYS 43 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1dub n ASN 44 N 2.28 -4.66 -3.90 3.14 3.02 -1.26 -2.03 115.26 111.85 1dub n ASN 44 Ca 0.14 0.39 -0.28 0.00 -0.03 0.00 0.00 54.58 54.80 1dub n ASN 44 Cb 0.27 -4.16 0.02 0.00 -0.61 0.00 0.00 39.78 35.30 1dub n ASN 44 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1dub n SER 45 N -1.10 -3.32 0.12 6.41 7.64 0.12 -4.89 113.62 118.61 1dub n SER 45 Ca -0.18 -0.84 0.12 0.00 1.01 0.00 0.00 58.87 58.99 1dub n SER 45 Cb 0.58 -3.73 0.16 0.00 -1.01 0.00 0.00 64.21 60.21 1dub n SER 45 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1dub h SER 46 N -1.95 0.00 -3.29 6.43 4.64 -0.85 -3.41 113.55 115.12 1dub h SER 46 Ca -0.59 -0.06 -0.61 0.00 -0.47 0.00 0.00 61.79 60.06 1dub h SER 46 Cb 1.37 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.32 1dub h SER 46 CO 0.65 0.03 -0.54 -0.69 -0.87 0.00 0.00 176.83 175.42 1dub s VAL 47 N -3.23 5.02 -0.41 0.95 1.01 -0.26 -1.32 120.40 122.16 1dub s VAL 47 Ca 0.05 0.05 -0.16 0.00 0.00 0.00 0.00 61.98 61.92 1dub s VAL 47 Cb 0.10 -3.27 0.02 0.00 0.00 0.00 0.00 36.38 33.22 1dub s VAL 47 CO 0.71 0.45 0.38 -0.83 0.00 0.00 0.00 175.10 175.81 1dub s GLY 48 N 0.39 1.94 -0.20 4.51 0.00 -0.60 0.82 107.32 114.17 1dub s GLY 48 Ca 0.05 -1.58 -0.19 0.00 0.00 0.00 0.00 44.72 43.00 1dub s GLY 48 CO -0.01 1.06 0.55 -2.27 0.00 0.00 0.00 173.10 172.43 1dub s LEU 49 N 1.96 4.14 -0.12 0.66 2.96 0.23 -1.03 118.68 127.47 1dub s LEU 49 Ca 0.09 0.70 0.02 0.00 -0.22 0.00 0.00 54.13 54.72 1dub s LEU 49 Cb -0.18 -2.75 -0.00 0.00 0.50 0.00 0.00 46.19 43.76 1dub s LEU 49 CO 0.12 -0.21 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.12 1dub s ILE 50 N 1.76 2.47 -0.14 6.68 1.01 -0.13 -0.44 121.20 132.43 1dub s ILE 50 Ca 0.25 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 60.04 1dub s ILE 50 Cb -0.16 -2.00 0.02 0.00 0.01 0.00 0.00 42.46 40.34 1dub s ILE 50 CO 0.10 0.54 -0.13 -1.58 0.00 0.00 0.00 174.94 173.87 1dub s GLN 51 N 0.45 2.11 0.17 2.79 0.74 0.73 -1.44 119.66 125.21 1dub s GLN 51 Ca -0.13 -0.49 -0.32 0.00 0.05 0.00 0.00 55.36 54.47 1dub s GLN 51 Cb -0.17 -1.97 -0.10 0.00 1.10 0.00 0.00 33.01 31.88 1dub s GLN 51 CO 0.06 -0.23 1.56 -0.51 -0.55 0.00 0.00 175.29 175.62 1dub s LEU 52 N 1.49 4.37 -0.47 3.68 1.43 0.37 -0.67 118.68 128.88 1dub s LEU 52 Ca 0.04 2.61 0.04 0.00 -1.03 0.00 0.00 54.13 55.80 1dub s LEU 52 Cb -0.13 -3.59 0.17 0.00 0.03 0.00 0.00 46.19 42.67 1dub s LEU 52 CO -0.09 -0.82 0.37 -3.20 0.23 0.00 0.00 176.35 172.84 1dub n ASN 53 N 3.95 0.18 -2.73 2.29 5.15 0.13 -4.24 115.26 119.99 1dub n ASN 53 Ca 0.14 -2.53 -0.09 0.00 -0.60 0.00 0.00 54.58 51.50 1dub n ASN 53 Cb 0.39 -0.59 0.08 0.00 -0.53 0.00 0.00 39.78 39.12 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 2.66 1.14 -0.06 1.20 0.63 -1.26 -4.38 116.66 116.59 1dub n ARG 54 Ca 0.28 -2.40 0.24 0.00 -0.92 0.00 0.00 57.85 55.05 1dub n ARG 54 Cb 0.46 -0.67 0.71 0.00 0.45 0.00 0.00 32.46 33.41 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 2.52 0.00 -0.05 -0.14 0.11 -1.93 -1.24 132.00 131.27 1dub h PRO 55 Ca -0.17 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.89 1dub h PRO 55 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 1dub h PRO 55 CO 0.18 0.00 -0.20 0.87 -0.21 0.00 0.00 178.00 178.64 1dub h LYS 56 N 0.00 0.07 -0.56 1.05 1.57 -2.03 -0.72 116.57 115.95 1dub h LYS 56 Ca 0.32 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.96 1dub h LYS 56 Cb 1.32 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.55 1dub h LYS 56 CO -0.00 0.27 0.13 0.00 -0.57 0.00 0.00 179.45 179.28 1dub n ALA 57 N -2.49 4.06 -4.26 3.86 0.00 -0.56 -4.92 120.51 116.20 1dub n ALA 57 Ca -0.02 -2.35 -0.35 0.00 0.00 0.00 0.00 53.44 50.72 1dub n ALA 57 Cb 0.28 -1.05 -0.04 0.00 0.00 0.00 0.00 19.45 18.63 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 -0.20 -1.54 -1.65 0.00 4.32 -0.28 -0.09 117.00 117.57 1dub n LEU 58 Ca 0.33 -1.08 -0.17 0.00 -0.02 0.00 0.00 56.01 55.07 1dub n LEU 58 Cb 1.21 -1.96 -0.04 0.00 -1.62 0.00 0.00 43.42 41.01 1dub n LEU 58 CO 0.33 0.29 -0.19 0.59 -1.22 0.00 0.00 177.39 177.19 1dub n ASN 59 N -2.69 -5.01 -4.67 -1.43 3.02 -0.69 -1.45 115.26 102.35 1dub n ASN 59 Ca -0.02 0.18 -0.45 0.00 -0.03 0.00 0.00 54.58 54.26 1dub n ASN 59 Cb 0.53 -4.05 -0.03 0.00 -0.61 0.00 0.00 39.78 35.62 1dub n ASN 59 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1dub n ALA 60 N -0.43 1.04 -2.51 5.41 0.00 0.88 -4.23 120.51 120.66 1dub n ALA 60 Ca -0.19 0.42 -0.40 0.00 0.00 0.00 0.00 53.44 53.27 1dub n ALA 60 Cb 0.61 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.76 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 0.24 3.30 0.40 0.00 1.43 0.11 -4.78 118.68 119.38 1dub s LEU 61 Ca 0.70 -0.82 0.05 0.00 -1.03 0.00 0.00 54.13 53.03 1dub s LEU 61 Cb -0.67 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 42.99 1dub s LEU 61 CO 0.48 -1.76 0.57 0.00 0.23 0.00 0.00 176.35 175.86 1dub h ASN 63 N 0.64 0.33 -0.45 0.00 2.35 -1.97 -0.66 115.58 115.82 1dub h ASN 63 Ca -0.44 0.14 -0.06 0.00 -0.55 0.00 0.00 56.30 55.39 1dub h ASN 63 Cb 1.26 0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.74 1dub h ASN 63 CO 0.52 0.03 0.06 1.23 -1.65 0.00 0.00 177.43 177.62 1dub h GLY 64 N 0.42 0.82 0.89 2.83 0.00 -1.99 -0.70 103.07 105.34 1dub h GLY 64 Ca 0.53 -0.56 0.02 0.00 0.00 0.00 0.00 47.33 47.32 1dub h GLY 64 CO -0.50 0.52 0.11 -2.00 0.00 0.00 0.00 176.54 174.66 1dub h LEU 65 N 0.62 0.16 -0.90 3.11 7.12 -1.54 -2.09 115.31 121.79 1dub h LEU 65 Ca 0.13 0.01 -0.00 0.00 0.13 0.00 0.00 57.88 58.16 1dub h LEU 65 Cb 0.41 -0.02 -0.04 0.00 -0.53 0.00 0.00 40.66 40.48 1dub h LEU 65 CO 0.01 0.13 0.56 0.40 -0.13 0.00 0.00 178.44 179.41 1dub h ILE 66 N 0.24 1.24 -0.38 4.05 1.08 -1.00 0.15 117.51 122.89 1dub h ILE 66 Ca 0.10 -0.50 -0.07 0.00 -0.39 0.00 0.00 64.86 64.00 1dub h ILE 66 Cb 0.03 -0.04 -0.02 0.00 -3.07 0.00 0.00 36.82 33.72 1dub h ILE 66 CO -0.07 0.25 -0.06 -0.08 -0.69 0.00 0.00 178.15 177.50 1dub h GLU 67 N 1.23 0.62 0.09 2.37 4.81 -0.96 0.34 114.58 123.07 1dub h GLU 67 Ca 0.32 -0.17 -0.29 0.00 -0.13 0.00 0.00 59.36 59.10 1dub h GLU 67 Cb -0.08 -0.07 0.03 0.00 0.63 0.00 0.00 28.75 29.25 1dub h GLU 67 CO -0.06 0.69 -1.18 0.93 -0.73 0.00 0.00 179.01 178.65 1dub h GLU 68 N 0.58 0.65 -0.32 1.92 5.08 -0.66 -2.41 114.58 119.42 1dub h GLU 68 Ca 0.11 -0.81 0.03 0.00 -1.00 0.00 0.00 59.36 57.69 1dub h GLU 68 Cb 0.46 0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 1dub h GLU 68 CO 0.02 1.37 0.12 1.25 -1.00 0.00 0.00 179.01 180.77 1dub h LEU 69 N 0.30 0.14 -1.25 1.33 5.85 -0.38 0.30 115.31 121.61 1dub h LEU 69 Ca -0.17 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.53 1dub h LEU 69 Cb 1.85 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.87 1dub h LEU 69 CO 0.23 0.12 0.04 0.78 -0.34 0.00 0.00 178.44 179.27 1dub h ASN 70 N 0.26 0.51 -0.06 1.25 2.35 -0.95 -0.35 115.58 118.60 1dub h ASN 70 Ca 0.14 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.80 1dub h ASN 70 Cb 0.10 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 1dub h ASN 70 CO -0.14 0.55 0.01 1.56 -1.65 0.00 0.00 177.43 177.76 1dub h GLN 71 N 0.53 0.10 -0.95 0.81 4.20 -0.75 -1.16 115.11 117.90 1dub h GLN 71 Ca 0.12 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.81 1dub h GLN 71 Cb 0.28 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.00 1dub h GLN 71 CO 0.00 0.34 0.63 0.00 -0.67 0.00 0.00 178.83 179.13 1dub h ALA 72 N 0.76 1.33 -0.04 3.87 0.00 -0.62 -1.09 119.26 123.47 1dub h ALA 72 Ca 0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1dub h ALA 72 Cb 0.29 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1dub h ALA 72 CO 0.00 0.62 0.01 -0.07 0.00 0.00 0.00 179.25 179.81 1dub h LEU 73 N 1.28 0.07 -1.28 0.00 3.38 -0.89 -1.65 115.31 116.22 1dub h LEU 73 Ca 0.35 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1dub h LEU 73 Cb -0.14 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1dub h LEU 73 CO -0.08 0.31 0.37 -0.08 0.09 0.00 0.00 178.44 179.05 1dub h GLU 74 N -0.17 0.86 0.20 1.13 4.57 -0.95 -0.02 114.58 120.20 1dub h GLU 74 Ca 0.01 -0.08 -0.01 0.00 -1.18 0.00 0.00 59.36 58.11 1dub h GLU 74 Cb 0.26 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 1dub h GLU 74 CO 0.00 0.62 -0.10 1.15 -1.18 0.00 0.00 179.01 179.50 1dub h THR 75 N 0.88 0.89 0.00 0.32 2.02 -0.88 0.37 112.91 116.50 1dub h THR 75 Ca 0.23 -0.51 -0.02 0.00 0.77 0.00 0.00 66.41 66.89 1dub h THR 75 Cb -0.01 1.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1dub h THR 75 CO -0.04 0.11 -0.07 -0.26 0.37 0.00 0.00 175.52 175.63 1dub h PHE 76 N -0.52 0.00 -0.36 3.16 0.04 -1.16 -0.45 116.94 117.65 1dub h PHE 76 Ca -0.03 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 60.62 1dub h PHE 76 Cb 0.39 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.53 1dub h PHE 76 CO 0.01 0.07 -0.23 1.49 -0.60 0.00 0.00 178.31 179.05 1dub h GLU 77 N 0.00 0.80 -0.01 1.51 4.57 -0.53 -2.67 114.58 118.24 1dub h GLU 77 Ca -0.00 -0.37 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 1dub h GLU 77 Cb 0.14 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1dub h GLU 77 CO 0.01 1.00 -0.00 0.39 -1.18 0.00 0.00 179.01 179.23 1dub n GLU 78 N -4.24 1.37 -3.06 1.92 1.02 0.08 -4.73 120.64 113.01 1dub n GLU 78 Ca -0.02 -0.54 -0.43 0.00 -0.02 0.00 0.00 57.16 56.14 1dub n GLU 78 Cb 0.45 -1.49 -0.06 0.00 -0.02 0.00 0.00 31.44 30.32 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 -2.00 6.27 0.61 1.62 -1.08 -0.30 -4.91 116.67 116.88 1dub s ASP 79 Ca 0.42 -0.68 0.30 0.00 -0.52 0.00 0.00 52.55 52.07 1dub s ASP 79 Cb 0.21 -2.34 1.62 0.00 -1.46 0.00 0.00 42.92 40.96 1dub s ASP 79 CO 0.35 -0.98 2.00 -0.65 0.52 0.00 0.00 175.17 176.41 1dub h PRO 80 N 9.07 0.00 0.00 4.34 0.11 -1.85 0.21 132.00 143.89 1dub h PRO 80 Ca -0.27 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.76 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 -0.39 0.00 -0.21 0.00 0.00 178.00 178.39 1dub h ALA 81 N 1.58 0.77 -2.50 -0.75 0.00 -1.91 -3.44 119.26 113.01 1dub h ALA 81 Ca 0.11 -0.36 -0.60 0.00 0.00 0.00 0.00 54.91 54.06 1dub h ALA 81 Cb 0.76 -0.06 -0.11 0.00 0.00 0.00 0.00 17.79 18.38 1dub h ALA 81 CO -0.00 0.49 0.17 0.08 0.00 0.00 0.00 179.25 179.98 1dub s VAL 82 N -3.10 4.99 -0.04 0.00 1.01 0.74 -4.10 120.40 119.90 1dub s VAL 82 Ca 0.04 1.18 0.15 0.00 0.00 0.00 0.00 61.98 63.34 1dub s VAL 82 Cb 0.08 -3.95 -0.22 0.00 0.00 0.00 0.00 36.38 32.29 1dub s VAL 82 CO 0.72 0.05 0.28 0.61 0.00 0.00 0.00 175.10 176.76 1dub n GLY 83 N 4.01 -0.68 3.22 4.51 0.00 -0.43 -4.85 105.19 110.96 1dub n GLY 83 Ca -0.00 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.91 -0.75 -0.01 4.61 0.00 -1.23 -4.09 121.76 117.38 1dub s ALA 84 Ca -0.06 0.38 0.05 0.00 0.00 0.00 0.00 51.96 52.33 1dub s ALA 84 Cb 0.09 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 1dub s ALA 84 CO 0.61 -0.24 -0.15 0.42 0.00 0.00 0.00 175.76 176.40 1dub s ILE 85 N -1.10 3.00 -0.18 0.00 1.01 0.05 -1.56 121.20 122.41 1dub s ILE 85 Ca -0.12 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.61 1dub s ILE 85 Cb -0.05 -2.22 0.01 0.00 0.01 0.00 0.00 42.46 40.21 1dub s ILE 85 CO 0.03 0.47 -0.17 -0.69 0.00 0.00 0.00 174.94 174.58 1dub s VAL 86 N -0.84 2.39 -0.14 2.92 1.01 -0.20 -0.68 120.40 124.86 1dub s VAL 86 Ca 0.13 -0.84 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 1dub s VAL 86 Cb -0.11 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.23 1dub s VAL 86 CO 0.03 0.52 -0.00 -0.22 0.00 0.00 0.00 175.10 175.43 1dub s LEU 87 N 1.20 3.49 0.28 3.92 2.96 0.01 -0.95 118.68 129.58 1dub s LEU 87 Ca 0.02 0.00 -0.11 0.00 -0.22 0.00 0.00 54.13 53.82 1dub s LEU 87 Cb -0.14 -1.84 0.00 0.00 0.50 0.00 0.00 46.19 44.71 1dub s LEU 87 CO -0.08 0.23 0.50 0.28 -1.32 0.00 0.00 176.35 175.96 1dub s THR 88 N 0.01 0.00 0.00 3.68 -1.32 -0.52 0.03 115.64 117.51 1dub s THR 88 Ca 0.03 -1.41 0.00 0.00 -1.21 0.00 0.00 61.69 59.10 1dub s THR 88 Cb -0.13 -2.33 0.00 0.00 -1.51 0.00 0.00 72.50 68.53 1dub s THR 88 CO 0.02 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.04 1dub n GLY 89 N -0.43 4.50 4.02 6.08 0.00 -1.26 -0.48 105.19 117.62 1dub n GLY 89 Ca -0.02 -0.84 -0.20 0.00 0.00 0.00 0.00 46.02 44.96 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 0.36 -0.02 0.00 0.53 -4.68 107.32 105.28 1dub s GLY 90 Ca 0.00 -1.92 0.07 0.00 0.00 0.00 0.00 44.72 42.86 1dub s GLY 90 CO 0.00 -1.49 1.89 -2.09 0.00 0.00 0.00 173.10 171.41 1dub h GLU 91 N 0.07 0.39 0.00 2.90 4.81 -1.97 -2.97 114.58 117.80 1dub h GLU 91 Ca -0.34 -0.09 -0.17 0.00 -0.13 0.00 0.00 59.36 58.63 1dub h GLU 91 Cb 1.28 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.58 1dub h GLU 91 CO 0.42 0.48 -1.20 0.87 -0.73 0.00 0.00 179.01 178.85 1dub h LYS 92 N 0.37 0.00 -2.19 1.92 1.79 -1.95 -3.15 116.57 113.36 1dub h LYS 92 Ca 0.08 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.51 1dub h LYS 92 Cb 0.36 0.00 -0.22 0.00 -1.58 0.00 0.00 32.23 30.79 1dub h LYS 92 CO 0.02 0.42 -0.02 0.00 -1.08 0.00 0.00 179.45 178.79 1dub s ALA 93 N -2.88 -1.61 -0.11 3.86 0.00 -1.12 -1.54 121.76 118.35 1dub s ALA 93 Ca -0.01 2.00 -0.25 0.00 0.00 0.00 0.00 51.96 53.70 1dub s ALA 93 Cb 0.08 -1.17 -0.22 0.00 0.00 0.00 0.00 23.12 21.82 1dub s ALA 93 CO 0.80 -0.33 0.74 0.35 0.00 0.00 0.00 175.76 177.33 1dub h PHE 94 N 6.12 -0.02 -0.30 0.00 3.57 0.10 0.15 116.94 126.57 1dub h PHE 94 Ca -0.30 -0.00 0.25 0.00 3.53 0.00 0.00 57.97 61.45 1dub h PHE 94 Cb 1.19 0.01 -0.23 0.00 2.79 0.00 0.00 35.95 39.71 1dub h PHE 94 CO 0.24 0.76 0.28 0.00 -2.23 0.00 0.00 178.31 177.36 1dub s ALA 95 N -2.61 -3.44 -0.35 2.41 0.00 -0.83 -4.33 121.76 112.62 1dub s ALA 95 Ca -0.16 1.55 0.01 0.00 0.00 0.00 0.00 51.96 53.36 1dub s ALA 95 Cb -0.02 -2.43 0.13 0.00 0.00 0.00 0.00 23.12 20.80 1dub s ALA 95 CO 0.59 -1.30 1.01 0.00 0.00 0.00 0.00 175.76 176.06 1dub n ALA 96 N 5.21 2.95 0.00 0.00 0.00 -0.53 -1.71 120.51 126.43 1dub n ALA 96 Ca -0.08 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1dub n ALA 96 Cb 0.54 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 0.18 2.36 3.75 0.00 0.00 -0.78 -4.73 105.19 105.97 1dub n GLY 97 Ca 0.09 -2.16 -0.30 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.87 1.44 -0.51 4.61 0.00 -1.26 0.04 121.76 124.21 1dub s ALA 98 Ca 0.00 -0.93 -0.19 0.00 0.00 0.00 0.00 51.96 50.84 1dub s ALA 98 Cb 0.00 -2.89 0.06 0.00 0.00 0.00 0.00 23.12 20.29 1dub s ALA 98 CO 0.00 -2.88 0.63 0.34 0.00 0.00 0.00 175.76 173.84 1dub s ASP 99 N -4.26 6.22 0.29 0.00 -1.08 -1.16 -4.39 116.67 112.29 1dub s ASP 99 Ca 0.70 -0.94 -0.02 0.00 -0.52 0.00 0.00 52.55 51.77 1dub s ASP 99 Cb -0.09 -2.29 0.42 0.00 -1.46 0.00 0.00 42.92 39.50 1dub s ASP 99 CO 0.54 -0.90 1.95 0.40 0.52 0.00 0.00 175.17 177.68 1dub h ILE 100 N 5.87 1.19 -0.92 4.11 1.08 -1.94 -0.55 117.51 126.34 1dub h ILE 100 Ca -0.28 -0.40 0.12 0.00 -0.39 0.00 0.00 64.86 63.91 1dub h ILE 100 Cb 1.09 -0.07 -0.07 0.00 -3.07 0.00 0.00 36.82 34.71 1dub h ILE 100 CO 0.97 0.21 0.59 0.11 -0.69 0.00 0.00 178.15 179.35 1dub h LYS 101 N 1.16 0.84 0.00 2.37 6.56 -2.00 0.41 116.57 125.91 1dub h LYS 101 Ca 0.34 -0.05 -0.08 0.00 -1.06 0.00 0.00 60.65 59.80 1dub h LYS 101 Cb -0.07 -0.19 -0.01 0.00 -0.57 0.00 0.00 32.23 31.39 1dub h LYS 101 CO -0.09 0.55 -0.38 0.93 -2.06 0.00 0.00 179.45 178.41 1dub h GLU 102 N 0.86 0.00 0.00 3.15 5.08 -1.52 -3.07 114.58 119.08 1dub h GLU 102 Ca 0.45 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.52 1dub h GLU 102 Cb 0.52 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 1dub h GLU 102 CO -0.21 0.38 -1.75 -1.33 -1.00 0.00 0.00 179.01 175.10 1dub n MET 103 N -3.95 0.64 -0.55 2.33 2.81 -0.24 -4.59 117.12 113.56 1dub n MET 103 Ca -0.02 0.27 0.43 0.00 -1.81 0.00 0.00 57.70 56.57 1dub n MET 103 Cb 0.43 -1.77 0.68 0.00 -0.71 0.00 0.00 33.22 31.85 1dub n MET 103 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1dub n GLN 104 N -3.01 -0.01 -0.36 0.03 7.27 0.13 -1.40 117.38 120.03 1dub n GLN 104 Ca -0.18 1.02 0.08 0.00 0.07 0.00 0.00 57.00 58.00 1dub n GLN 104 Cb 1.05 -2.22 0.23 0.00 2.41 0.00 0.00 30.24 31.70 1dub n GLN 104 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1dub n ASN 105 N -4.01 3.55 -4.86 1.69 3.02 -1.26 -5.02 115.26 108.37 1dub n ASN 105 Ca 0.38 -2.86 -0.31 0.00 -0.03 0.00 0.00 54.58 51.76 1dub n ASN 105 Cb 1.65 -0.48 -0.04 0.00 -0.61 0.00 0.00 39.78 40.31 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 -2.54 3.85 0.48 3.52 0.52 -0.50 -5.09 118.95 119.19 1dub s ARG 106 Ca 0.38 0.62 0.06 0.00 -0.52 0.00 0.00 55.73 56.26 1dub s ARG 106 Cb 0.30 -2.33 -0.01 0.00 0.52 0.00 0.00 34.95 33.43 1dub s ARG 106 CO 0.09 -0.07 0.24 0.95 0.02 0.00 0.00 175.30 176.53 1dub s THR 107 N -2.39 1.88 0.10 0.02 -4.23 -1.26 -5.00 115.64 104.76 1dub s THR 107 Ca 0.54 -1.65 -0.21 0.00 -1.18 0.00 0.00 61.69 59.18 1dub s THR 107 Cb -0.10 -2.53 -0.11 0.00 1.34 0.00 0.00 72.50 71.10 1dub s THR 107 CO 0.30 0.00 1.74 0.15 -0.54 0.00 0.00 174.62 176.27 1dub h PHE 108 N 1.13 0.13 -0.19 3.99 3.57 -1.99 -0.98 116.94 122.60 1dub h PHE 108 Ca -0.41 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.07 1dub h PHE 108 Cb 1.28 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.97 1dub h PHE 108 CO 0.91 0.10 -0.01 1.96 -2.23 0.00 0.00 178.31 179.04 1dub h GLN 109 N 0.13 0.28 -0.11 1.11 7.50 -1.98 0.31 115.11 122.34 1dub h GLN 109 Ca 0.04 -0.04 -0.01 0.00 0.50 0.00 0.00 58.65 59.13 1dub h GLN 109 Cb 0.01 -0.05 -0.00 0.00 0.05 0.00 0.00 27.48 27.48 1dub h GLN 109 CO -0.01 0.32 0.02 -0.44 -1.50 0.00 0.00 178.83 177.22 1dub h ASP 110 N 0.27 0.17 -0.15 1.46 3.32 -1.80 -0.42 116.42 119.29 1dub h ASP 110 Ca 0.06 -0.26 0.04 0.00 0.02 0.00 0.00 57.03 56.89 1dub h ASP 110 Cb 0.21 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 1dub h ASP 110 CO 0.01 0.39 -0.08 0.00 -1.72 0.00 0.00 179.24 177.83 1dub h TYR 112 N -0.08 -0.65 0.00 0.00 3.20 -0.88 -1.96 116.97 116.60 1dub h TYR 112 Ca 0.09 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1dub h TYR 112 Cb 0.21 0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 1dub h TYR 112 CO -0.22 -0.41 -0.04 0.77 -1.64 0.00 0.00 178.16 176.62 1dub h SER 113 N -0.87 0.00 -0.45 -2.11 0.02 -1.06 -2.21 113.55 106.88 1dub h SER 113 Ca -0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1dub h SER 113 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1dub h SER 113 CO 0.12 0.04 0.00 0.61 -1.14 0.00 0.00 176.83 176.46 1dub n GLY 114 N -1.31 1.35 4.04 -3.77 0.00 0.75 -4.94 105.19 101.29 1dub n GLY 114 Ca -0.03 -0.58 -0.27 0.00 0.00 0.00 0.00 46.02 45.14 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 1.03 -2.92 -1.61 1.61 5.02 -0.83 -4.80 118.16 115.65 1dub n LYS 115 Ca 0.18 0.35 -0.51 0.00 -2.02 0.00 0.00 58.31 56.31 1dub n LYS 115 Cb 0.46 -4.44 -0.06 0.00 -0.02 0.00 0.00 35.03 30.98 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 -4.43 1.71 -1.06 2.13 7.35 -0.79 -1.72 117.46 120.64 1dub n PHE 116 Ca -0.28 0.55 -0.02 0.00 -0.76 0.00 0.00 57.45 56.94 1dub n PHE 116 Cb 0.67 -2.39 -0.01 0.00 0.35 0.00 0.00 39.48 38.11 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 2.85 0.19 0.29 -2.13 4.77 -1.26 -4.93 117.00 116.79 1dub n LEU 117 Ca 0.18 0.05 0.18 0.00 -0.03 0.00 0.00 56.01 56.40 1dub n LEU 117 Cb 0.21 -1.45 0.81 0.00 -2.33 0.00 0.00 43.42 40.66 1dub n LEU 117 CO 0.63 -0.47 1.03 0.77 -1.33 0.00 0.00 177.39 178.03 1dub h SER 118 N 0.00 0.00 -0.14 -1.43 4.64 -1.69 -1.65 113.55 113.28 1dub h SER 118 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 1dub h SER 118 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1dub h SER 118 CO 0.07 0.02 0.00 1.41 -0.87 0.00 0.00 176.83 177.45 1dub n HIS 119 N -3.14 0.17 -0.14 4.77 8.25 -1.26 -4.19 115.22 119.68 1dub n HIS 119 Ca -0.00 -0.09 -0.08 0.00 -0.26 0.00 0.00 57.72 57.28 1dub n HIS 119 Cb 0.25 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.42 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 3.00 1.03 -0.71 4.41 4.06 -1.70 -3.14 115.95 122.89 1dub h TRP 120 Ca 0.00 -0.21 -0.28 0.00 2.06 0.00 0.00 58.89 60.46 1dub h TRP 120 Cb 0.65 -0.26 -0.17 0.00 -1.00 0.00 0.00 29.16 28.39 1dub h TRP 120 CO 0.09 0.98 0.35 -0.40 -3.56 0.00 0.00 178.44 175.90 1dub n ASP 121 N -4.14 4.13 0.10 -3.49 5.68 -1.26 -4.50 116.55 113.06 1dub n ASP 121 Ca 0.01 -3.14 0.02 0.00 -0.50 0.00 0.00 54.79 51.18 1dub n ASP 121 Cb 0.40 -0.74 0.37 0.00 -1.14 0.00 0.00 41.12 40.01 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 1.75 0.29 -0.35 2.11 2.76 -1.81 -2.05 115.15 117.84 1dub h HIS 122 Ca 0.34 -0.03 0.10 0.00 -2.20 0.00 0.00 60.37 58.58 1dub h HIS 122 Cb 2.28 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 31.14 1dub h HIS 122 CO 1.19 0.40 0.40 0.97 -1.30 0.00 0.00 177.93 179.59 1dub h ILE 123 N 0.26 0.38 0.00 6.26 2.10 -1.86 0.32 117.51 124.96 1dub h ILE 123 Ca 0.05 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.99 1dub h ILE 123 Cb 0.39 0.68 0.00 0.00 -1.09 0.00 0.00 36.82 36.80 1dub h ILE 123 CO 0.02 0.00 0.00 0.35 -1.08 0.00 0.00 178.15 177.44 1dub n THR 124 N -3.70 0.26 1.04 2.19 -2.24 -0.77 -2.43 114.28 108.65 1dub n THR 124 Ca 0.06 0.07 0.11 0.00 -2.27 0.00 0.00 64.05 62.02 1dub n THR 124 Cb 0.56 -0.67 0.06 0.00 -2.10 0.00 0.00 70.33 68.19 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 -1.33 0.58 -2.45 -0.78 1.74 0.11 -4.91 116.66 109.63 1dub n ARG 125 Ca 0.10 -0.45 -0.42 0.00 -0.77 0.00 0.00 57.85 56.31 1dub n ARG 125 Cb 0.21 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.13 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 -2.72 4.23 0.16 0.55 -1.09 -1.02 -4.94 121.20 116.37 1dub s ILE 126 Ca 0.15 1.56 0.01 0.00 -2.23 0.00 0.00 60.65 60.15 1dub s ILE 126 Cb 0.18 -4.00 -0.15 0.00 -1.58 0.00 0.00 42.46 36.90 1dub s ILE 126 CO 0.68 0.01 1.37 0.11 -1.23 0.00 0.00 174.94 175.87 1dub h LYS 127 N 7.41 0.23 -7.00 2.79 1.79 -1.90 -3.46 116.57 116.43 1dub h LYS 127 Ca -0.35 -0.25 -0.50 0.00 -2.18 0.00 0.00 60.65 57.37 1dub h LYS 127 Cb 1.17 0.07 0.05 0.00 -1.58 0.00 0.00 32.23 31.94 1dub h LYS 127 CO 0.87 0.97 0.46 0.15 -1.08 0.00 0.00 179.45 180.82 1dub s LYS 128 N -3.23 3.82 0.47 3.15 1.02 -1.26 -4.59 119.74 119.11 1dub s LYS 128 Ca -0.03 1.67 -0.24 0.00 0.02 0.00 0.00 55.97 57.39 1dub s LYS 128 Cb 0.10 -2.38 -0.07 0.00 -0.52 0.00 0.00 37.83 34.96 1dub s LYS 128 CO 0.83 -0.48 1.27 -2.14 -0.92 0.00 0.00 175.35 173.92 1dub s PRO 129 N -2.74 3.64 -0.10 -1.68 0.02 -1.26 -4.84 135.00 128.04 1dub s PRO 129 Ca 0.63 2.05 0.03 0.00 0.02 0.00 0.00 61.00 63.73 1dub s PRO 129 Cb -0.26 -2.48 0.01 0.00 0.02 0.00 0.00 34.50 31.79 1dub s PRO 129 CO 0.31 -0.73 -0.19 0.08 -0.33 0.00 0.00 177.00 176.15 1dub s VAL 130 N -1.37 1.68 -0.14 3.83 1.01 -1.26 -0.77 120.40 123.38 1dub s VAL 130 Ca 0.64 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 1dub s VAL 130 Cb -0.36 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 1dub s VAL 130 CO 0.44 0.48 -0.11 -0.63 0.00 0.00 0.00 175.10 175.27 1dub s ILE 131 N 0.65 3.22 -0.21 2.22 1.01 0.15 -0.85 121.20 127.39 1dub s ILE 131 Ca -0.13 -0.60 -0.13 0.00 0.00 0.00 0.00 60.65 59.79 1dub s ILE 131 Cb -0.16 -2.36 -0.05 0.00 0.01 0.00 0.00 42.46 39.90 1dub s ILE 131 CO 0.04 0.52 0.25 0.00 0.00 0.00 0.00 174.94 175.75 1dub s ALA 132 N 0.37 3.60 -0.65 9.38 0.00 0.47 -0.81 121.76 134.12 1dub s ALA 132 Ca -0.09 -0.68 -0.10 0.00 0.00 0.00 0.00 51.96 51.09 1dub s ALA 132 Cb -0.16 -2.41 0.17 0.00 0.00 0.00 0.00 23.12 20.72 1dub s ALA 132 CO 0.05 -0.14 0.54 0.00 0.00 0.00 0.00 175.76 176.21 1dub s ALA 133 N 0.95 3.71 -0.43 0.00 0.00 0.10 -0.59 121.76 125.51 1dub s ALA 133 Ca 0.13 -3.03 -0.23 0.00 0.00 0.00 0.00 51.96 48.83 1dub s ALA 133 Cb -0.13 -3.06 0.02 0.00 0.00 0.00 0.00 23.12 19.95 1dub s ALA 133 CO 0.05 -2.11 0.76 0.08 0.00 0.00 0.00 175.76 174.55 1dub s VAL 134 N 0.53 4.69 -0.09 0.00 1.01 0.25 -4.28 120.40 122.51 1dub s VAL 134 Ca 0.13 0.49 0.02 0.00 0.00 0.00 0.00 61.98 62.62 1dub s VAL 134 Cb -0.19 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 31.89 1dub s VAL 134 CO -0.04 -0.63 -0.15 0.20 0.00 0.00 0.00 175.10 174.47 1dub s ASN 135 N 2.05 3.90 0.39 3.32 0.01 -1.26 -0.17 114.94 123.18 1dub s ASN 135 Ca 0.29 -0.31 0.00 0.00 -0.71 0.00 0.00 52.86 52.14 1dub s ASN 135 Cb -0.13 -1.27 0.00 0.00 0.41 0.00 0.00 41.25 40.26 1dub s ASN 135 CO 0.21 0.24 0.00 0.61 -1.51 0.00 0.00 177.10 176.64 1dub n GLY 136 N 3.05 0.67 3.76 0.66 0.00 -1.19 -1.70 105.19 110.43 1dub n GLY 136 Ca -0.18 -0.83 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 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 3.30 -0.40 1.61 2.02 -0.59 -1.13 117.35 122.15 1dub s TYR 137 Ca 0.00 1.50 0.03 0.00 -0.37 0.00 0.00 57.07 58.23 1dub s TYR 137 Cb 0.00 -3.51 0.16 0.00 -0.40 0.00 0.00 41.96 38.22 1dub s TYR 137 CO 0.00 -1.33 0.36 0.00 -1.57 0.00 0.00 175.55 173.01 1dub s ALA 138 N -0.93 0.76 0.14 3.71 0.00 -0.48 0.56 121.76 125.53 1dub s ALA 138 Ca 0.48 -1.98 0.10 0.00 0.00 0.00 0.00 51.96 50.56 1dub s ALA 138 Cb -0.36 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 20.97 1dub s ALA 138 CO 0.46 -2.04 -0.19 -0.51 0.00 0.00 0.00 175.76 173.47 1dub s LEU 139 N 0.49 2.64 0.00 0.00 1.43 -0.70 -2.61 118.68 119.93 1dub s LEU 139 Ca 0.28 -0.65 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 1dub s LEU 139 Cb -0.04 -1.44 0.00 0.00 0.03 0.00 0.00 46.19 44.74 1dub s LEU 139 CO -0.12 0.16 0.00 0.61 0.23 0.00 0.00 176.35 177.22 1dub n GLY 140 N 0.59 3.35 0.34 -3.19 0.00 -0.26 -0.56 105.19 105.46 1dub n GLY 140 Ca -0.15 0.05 0.19 0.00 0.00 0.00 0.00 46.02 46.11 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 1.39 -0.02 0.00 -1.90 0.48 103.07 103.02 1dub h GLY 141 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 1dub h GLY 141 CO 0.00 0.00 -1.00 -1.33 0.00 0.00 0.00 176.54 174.21 1dub h GLY 142 N 0.00 0.61 0.96 4.60 0.00 -0.95 -2.00 103.07 106.28 1dub h GLY 142 Ca 0.02 -1.08 -0.10 0.00 0.00 0.00 0.00 47.33 46.17 1dub h GLY 142 CO -0.00 0.95 -0.21 0.00 0.00 0.00 0.00 176.54 177.28 1dub h GLU 144 N 0.46 1.10 -0.54 0.00 5.08 -1.45 0.95 114.58 120.19 1dub h GLU 144 Ca 0.06 -0.19 -0.08 0.00 -1.00 0.00 0.00 59.36 58.15 1dub h GLU 144 Cb 0.76 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1dub h GLU 144 CO 0.06 0.89 0.02 1.25 -1.00 0.00 0.00 179.01 180.23 1dub h LEU 145 N 1.06 0.91 -0.72 1.33 5.85 -1.32 -0.20 115.31 122.23 1dub h LEU 145 Ca 0.25 -0.30 -0.07 0.00 0.84 0.00 0.00 57.88 58.60 1dub h LEU 145 Cb 0.19 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1dub h LEU 145 CO -0.02 0.98 0.15 0.00 -0.34 0.00 0.00 178.44 179.21 1dub h ALA 146 N 0.96 0.94 0.00 1.25 0.00 -0.87 -2.56 119.26 118.98 1dub h ALA 146 Ca 0.16 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1dub h ALA 146 Cb 0.50 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1dub h ALA 146 CO 0.02 0.67 -0.23 0.52 0.00 0.00 0.00 179.25 180.24 1dub h MET 147 N 1.06 0.00 0.00 0.00 2.86 -0.41 -1.84 114.93 116.60 1dub h MET 147 Ca 0.22 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.84 1dub h MET 147 Cb 0.40 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 1dub h MET 147 CO 0.01 0.23 -0.09 0.52 1.06 0.00 0.00 176.91 178.63 1dub h MET 148 N 0.00 0.00 -7.28 1.72 2.07 -0.62 -3.44 114.93 107.38 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 0.75 0.00 0.11 0.00 -1.87 0.00 0.00 31.60 30.59 1dub h MET 148 CO 0.03 0.09 0.35 0.00 1.07 0.00 0.00 176.91 178.45 1dub h ASP 150 N -0.60 0.75 -4.39 0.00 3.32 -1.28 -3.45 116.42 110.78 1dub h ASP 150 Ca -0.45 -0.56 -0.40 0.00 0.02 0.00 0.00 57.03 55.64 1dub h ASP 150 Cb 1.23 -0.23 -0.24 0.00 0.22 0.00 0.00 39.33 40.31 1dub h ASP 150 CO 0.53 1.35 -0.78 -0.63 -1.72 0.00 0.00 179.24 178.00 1dub s ILE 151 N -3.46 0.97 -0.10 0.35 1.01 -1.10 -5.04 121.20 113.84 1dub s ILE 151 Ca -0.08 -1.00 0.02 0.00 0.00 0.00 0.00 60.65 59.58 1dub s ILE 151 Cb 0.08 -0.91 0.01 0.00 0.01 0.00 0.00 42.46 41.66 1dub s ILE 151 CO 0.89 -0.09 -0.15 -0.63 0.00 0.00 0.00 174.94 174.97 1dub s ILE 152 N -0.95 1.42 -0.06 2.92 1.01 -1.26 -0.39 121.20 123.89 1dub s ILE 152 Ca -0.01 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 60.06 1dub s ILE 152 Cb -0.08 -1.30 -0.03 0.00 0.01 0.00 0.00 42.46 41.06 1dub s ILE 152 CO 0.01 0.42 -0.12 -0.31 0.00 0.00 0.00 174.94 174.94 1dub s TYR 153 N 0.88 2.76 0.02 3.97 1.51 0.24 -1.57 117.35 125.17 1dub s TYR 153 Ca -0.09 -0.13 0.08 0.00 -1.01 0.00 0.00 57.07 55.92 1dub s TYR 153 Cb -0.15 -1.66 -0.02 0.00 -0.11 0.00 0.00 41.96 40.02 1dub s TYR 153 CO 0.00 0.21 -0.25 0.00 -1.11 0.00 0.00 175.55 174.41 1dub s ALA 154 N -0.71 2.07 0.72 3.71 0.00 -0.43 -0.58 121.76 126.54 1dub s ALA 154 Ca 0.11 -1.14 -0.11 0.00 0.00 0.00 0.00 51.96 50.82 1dub s ALA 154 Cb -0.11 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.56 1dub s ALA 154 CO 0.01 0.50 1.07 0.20 0.00 0.00 0.00 175.76 177.53 1dub s GLY 155 N -0.94 1.65 0.53 0.00 0.00 0.76 -0.30 107.32 109.03 1dub s GLY 155 Ca 0.10 -0.02 0.21 0.00 0.00 0.00 0.00 44.72 45.01 1dub s GLY 155 CO 0.01 0.32 2.11 0.83 0.00 0.00 0.00 173.10 176.37 1dub h GLU 156 N -0.79 0.00 -0.68 2.90 5.08 -1.51 -1.36 114.58 118.22 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 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1dub h GLU 156 CO 0.58 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.22 1dub n LYS 157 N -4.39 3.58 -2.16 2.33 4.76 -1.26 -4.62 118.16 116.40 1dub n LYS 157 Ca 0.01 -2.87 -0.36 0.00 -2.87 0.00 0.00 58.31 52.22 1dub n LYS 157 Cb 0.27 -1.85 0.01 0.00 -1.84 0.00 0.00 35.03 31.62 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 -1.69 2.73 -0.02 7.82 0.00 -0.52 -4.14 121.76 125.95 1dub s ALA 158 Ca 0.52 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.41 1dub s ALA 158 Cb 0.32 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 20.06 1dub s ALA 158 CO 0.27 -0.88 0.01 -0.65 0.00 0.00 0.00 175.76 174.51 1dub s GLN 159 N -3.12 0.12 0.11 0.00 -0.21 -0.28 -1.79 119.66 114.49 1dub s GLN 159 Ca 0.72 0.12 0.08 0.00 0.02 0.00 0.00 55.36 56.29 1dub s GLN 159 Cb -0.28 -0.34 -0.04 0.00 1.00 0.00 0.00 33.01 33.35 1dub s GLN 159 CO 0.32 -0.14 -0.12 -0.06 -2.12 0.00 0.00 175.29 173.17 1dub s PHE 160 N 0.96 2.69 -0.23 0.91 0.40 0.05 -1.38 117.98 121.38 1dub s PHE 160 Ca -0.09 -0.18 -0.35 0.00 -0.60 0.00 0.00 56.93 55.71 1dub s PHE 160 Cb -0.12 -1.41 0.15 0.00 0.51 0.00 0.00 43.02 42.15 1dub s PHE 160 CO -0.02 0.42 1.28 0.20 0.70 0.00 0.00 175.22 177.80 1dub s GLY 161 N -2.21 -0.22 -0.63 4.36 0.00 -1.07 -0.43 107.32 107.11 1dub s GLY 161 Ca 0.21 1.86 0.05 0.00 0.00 0.00 0.00 44.72 46.84 1dub s GLY 161 CO 0.13 0.65 0.46 -1.06 0.00 0.00 0.00 173.10 173.28 1dub n GLN 162 N 0.03 1.42 0.00 2.90 1.13 -1.26 -1.10 117.38 120.50 1dub n GLN 162 Ca 0.02 -4.15 0.00 0.00 -1.94 0.00 0.00 57.00 50.92 1dub n GLN 162 Cb 0.58 -2.13 0.00 0.00 0.11 0.00 0.00 30.24 28.80 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 2.17 0.96 -0.25 -1.09 -0.04 -1.26 -4.27 135.00 131.21 1dub n PRO 163 Ca 0.23 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.78 1dub n PRO 163 Cb 0.38 -1.11 0.36 0.00 -0.04 0.00 0.00 33.50 33.09 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 0.01 0.72 -0.44 0.54 3.07 -1.90 -1.02 114.58 115.56 1dub h GLU 164 Ca 0.00 -0.04 0.03 0.00 -0.50 0.00 0.00 59.36 58.85 1dub h GLU 164 Cb 0.11 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 27.83 1dub h GLU 164 CO 0.00 0.48 0.29 0.97 -1.40 0.00 0.00 179.01 179.35 1dub h ILE 165 N 0.74 1.04 0.00 3.13 6.09 -1.60 0.11 117.51 127.01 1dub h ILE 165 Ca 0.41 -0.16 0.00 0.00 -1.37 0.00 0.00 64.86 63.74 1dub h ILE 165 Cb 0.55 0.52 0.00 0.00 0.47 0.00 0.00 36.82 38.36 1dub h ILE 165 CO -0.17 0.09 0.00 -0.07 -3.07 0.00 0.00 178.15 174.92 1dub h LEU 166 N 0.48 0.00 -2.79 2.19 3.38 -1.45 -1.78 115.31 115.34 1dub h LEU 166 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1dub h LEU 166 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1dub h LEU 166 CO -0.04 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.67 1dub n LEU 167 N -2.68 3.39 -0.24 1.67 4.77 0.30 -4.94 117.00 119.28 1dub n LEU 167 Ca 0.00 -1.97 -0.03 0.00 -0.03 0.00 0.00 56.01 53.98 1dub n LEU 167 Cb 0.19 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 1dub n LEU 167 CO 0.20 0.84 -0.03 0.61 -1.33 0.00 0.00 177.39 177.69 1dub n GLY 168 N 1.05 0.61 2.45 -0.72 0.00 -0.67 -5.02 105.19 102.90 1dub n GLY 168 Ca 0.18 -0.94 -0.16 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.92 0.00 -4.57 2.61 5.66 -0.79 -5.01 114.28 109.25 1dub n THR 169 Ca -0.03 -1.84 -0.26 0.00 -3.05 0.00 0.00 64.05 58.87 1dub n THR 169 Cb 0.11 0.86 -0.11 0.00 -1.55 0.00 0.00 70.33 69.64 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 -2.96 1.88 0.31 1.09 -4.36 -1.26 -2.09 121.20 113.81 1dub s ILE 170 Ca 0.27 -2.04 -0.29 0.00 -0.26 0.00 0.00 60.65 58.33 1dub s ILE 170 Cb 0.01 -2.89 -0.11 0.00 1.25 0.00 0.00 42.46 40.72 1dub s ILE 170 CO 0.19 -0.04 1.52 -2.84 0.24 0.00 0.00 174.94 174.00 1dub s PRO 171 N -3.73 4.16 -0.05 0.37 0.02 -1.26 -4.91 135.00 129.60 1dub s PRO 171 Ca 0.35 2.51 0.08 0.00 0.02 0.00 0.00 61.00 63.95 1dub s PRO 171 Cb 0.08 -3.02 0.13 0.00 0.02 0.00 0.00 34.50 31.71 1dub s PRO 171 CO 0.17 -0.54 1.07 0.41 -0.33 0.00 0.00 177.00 177.79 1dub n GLY 172 N 1.55 3.69 2.78 0.52 0.00 -1.26 -4.65 105.19 107.83 1dub n GLY 172 Ca 0.05 -0.45 -0.03 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.80 2.87 -0.38 4.61 0.00 -1.26 -4.95 120.51 120.60 1dub n ALA 173 Ca 0.07 -2.88 0.00 0.00 0.00 0.00 0.00 53.44 50.62 1dub n ALA 173 Cb 0.41 -0.89 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 -0.43 0.80 0.20 0.00 0.00 -1.26 -4.79 105.19 99.71 1dub n GLY 174 Ca 0.08 -0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.08 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 0.83 -0.02 0.00 -1.93 0.23 103.07 102.18 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 -0.55 -1.30 0.00 0.00 0.00 176.54 174.69 1dub n THR 176 N -3.66 0.00 -0.06 4.70 -2.24 -1.26 -3.94 114.28 107.81 1dub n THR 176 Ca -0.01 -0.01 -0.11 0.00 -2.27 0.00 0.00 64.05 61.65 1dub n THR 176 Cb 0.43 0.36 -0.04 0.00 -2.10 0.00 0.00 70.33 68.98 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 -1.46 0.38 0.10 -0.78 1.13 -0.80 -4.16 117.38 111.80 1dub n GLN 177 Ca 0.06 0.16 -0.04 0.00 -1.94 0.00 0.00 57.00 55.23 1dub n GLN 177 Cb 0.34 -1.16 0.10 0.00 0.11 0.00 0.00 30.24 29.63 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 -0.70 0.13 0.02 -1.09 3.08 -1.23 -2.13 114.38 112.47 1dub h ARG 178 Ca -0.17 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 59.77 1dub h ARG 178 Cb 0.95 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.02 1dub h ARG 178 CO -0.10 0.76 -0.01 1.25 -1.07 0.00 0.00 179.97 180.79 1dub h LEU 179 N 0.09 -0.03 -0.53 3.04 5.85 -1.68 -2.15 115.31 119.91 1dub h LEU 179 Ca -0.01 -0.30 0.04 0.00 0.84 0.00 0.00 57.88 58.45 1dub h LEU 179 Cb 1.21 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 1dub h LEU 179 CO 0.10 0.29 0.27 0.74 -0.34 0.00 0.00 178.44 179.50 1dub h THR 180 N -0.35 0.97 0.00 1.05 2.02 -1.71 0.32 112.91 115.21 1dub h THR 180 Ca -0.00 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 1dub h THR 180 Cb 0.33 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1dub h THR 180 CO 0.01 0.10 -0.02 0.03 0.37 0.00 0.00 175.52 176.01 1dub h ARG 181 N 0.53 0.00 0.00 6.66 3.08 -1.31 0.18 114.38 123.53 1dub h ARG 181 Ca 0.23 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.90 1dub h ARG 181 Cb 0.13 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.11 1dub h ARG 181 CO -0.15 0.02 -2.41 0.00 -1.07 0.00 0.00 179.97 176.35 1dub n ALA 182 N -2.11 1.47 0.21 0.04 0.00 -0.54 -4.68 120.51 114.90 1dub n ALA 182 Ca -0.01 -1.22 0.07 0.00 0.00 0.00 0.00 53.44 52.28 1dub n ALA 182 Cb 0.22 -0.17 -0.10 0.00 0.00 0.00 0.00 19.45 19.40 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 -2.98 0.00 0.00 0.00 0.31 0.10 -4.45 118.33 111.30 1dub n VAL 183 Ca -0.38 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 63.67 1dub n VAL 183 Cb 1.08 0.44 0.00 0.00 -0.91 0.00 0.00 33.84 34.45 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 1.56 1.96 0.14 2.92 0.00 0.62 -4.58 105.19 107.81 1dub n GLY 184 Ca -0.01 -1.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.05 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 0.38 0.13 1.61 3.64 -1.95 -2.03 116.57 118.35 1dub h LYS 185 Ca 0.00 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1dub h LYS 185 Cb 0.00 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1dub h LYS 185 CO 0.00 0.30 -0.06 1.03 -2.27 0.00 0.00 179.45 178.45 1dub h SER 186 N 0.34 -0.15 -0.43 4.20 0.87 -1.97 0.29 113.55 116.70 1dub h SER 186 Ca 0.10 -0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.52 1dub h SER 186 Cb 0.03 0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 1dub h SER 186 CO -0.02 -0.08 -0.17 0.25 -0.53 0.00 0.00 176.83 176.28 1dub h LEU 187 N -0.20 0.93 -0.28 2.23 5.85 -1.81 -1.54 115.31 120.49 1dub h LEU 187 Ca -0.02 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.35 1dub h LEU 187 Cb 0.16 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1dub h LEU 187 CO 0.03 1.09 0.10 0.00 -0.34 0.00 0.00 178.44 179.31 1dub h ALA 188 N 0.99 0.37 -0.45 1.25 0.00 -1.23 0.10 119.26 120.29 1dub h ALA 188 Ca 0.12 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1dub h ALA 188 Cb 0.72 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1dub h ALA 188 CO 0.06 -0.01 0.30 0.52 0.00 0.00 0.00 179.25 180.12 1dub h MET 189 N 0.30 0.60 -0.76 0.00 2.86 -0.89 0.41 114.93 117.46 1dub h MET 189 Ca 0.09 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 1dub h MET 189 Cb 0.22 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.71 1dub h MET 189 CO -0.00 0.40 0.38 1.49 1.06 0.00 0.00 176.91 180.24 1dub h GLU 190 N 0.62 1.08 -0.18 1.72 4.81 -0.89 0.20 114.58 121.93 1dub h GLU 190 Ca 0.17 -0.15 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 1dub h GLU 190 Cb -0.07 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.11 1dub h GLU 190 CO -0.04 0.83 -0.22 0.52 -0.73 0.00 0.00 179.01 179.37 1dub h MET 191 N 1.06 0.48 -0.06 1.92 2.86 -0.38 -2.29 114.93 118.51 1dub h MET 191 Ca 0.26 -0.27 -0.17 0.00 -2.06 0.00 0.00 59.70 57.46 1dub h MET 191 Cb 0.09 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1dub h MET 191 CO -0.04 0.85 -0.72 0.28 1.06 0.00 0.00 176.91 178.35 1dub h VAL 192 N 0.13 1.40 0.00 -2.22 2.07 -0.81 -0.33 116.25 116.50 1dub h VAL 192 Ca 0.02 -2.18 -0.18 0.00 0.82 0.00 0.00 66.70 65.19 1dub h VAL 192 Cb 0.78 2.14 -0.03 0.00 -1.52 0.00 0.00 31.29 32.67 1dub h VAL 192 CO 0.05 0.65 -1.09 -0.07 0.02 0.00 0.00 177.57 177.14 1dub h LEU 193 N 0.22 0.00 0.00 2.57 3.38 -0.67 -3.39 115.31 117.42 1dub h LEU 193 Ca -0.03 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.78 1dub h LEU 193 Cb 1.28 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 1dub h LEU 193 CO 0.12 0.73 -1.92 0.35 0.09 0.00 0.00 178.44 177.80 1dub n THR 194 N -3.13 0.63 -0.69 0.22 -2.24 -0.86 -4.97 114.28 103.24 1dub n THR 194 Ca -0.05 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1dub n THR 194 Cb 0.87 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 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 1.88 0.75 3.74 3.38 0.00 -0.13 -4.84 105.19 109.97 1dub n GLY 195 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.51 4.84 0.17 1.61 1.01 -1.24 -4.31 116.67 116.24 1dub s ASP 196 Ca 0.00 2.36 0.03 0.00 0.71 0.00 0.00 52.55 55.66 1dub s ASP 196 Cb 0.00 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.30 1dub s ASP 196 CO 0.00 -1.83 0.29 -0.13 0.21 0.00 0.00 175.17 173.72 1dub s ARG 197 N -3.57 3.41 0.14 8.23 0.52 -1.26 -4.41 118.95 122.01 1dub s ARG 197 Ca 0.76 -0.65 0.10 0.00 -0.52 0.00 0.00 55.73 55.42 1dub s ARG 197 Cb -0.30 -2.93 -0.04 0.00 0.52 0.00 0.00 34.95 32.20 1dub s ARG 197 CO 0.38 0.50 -0.22 0.96 0.02 0.00 0.00 175.30 176.94 1dub s ILE 198 N -1.80 1.98 0.93 1.52 -4.36 0.42 -4.95 121.20 114.95 1dub s ILE 198 Ca 0.34 -1.78 -0.15 0.00 -0.26 0.00 0.00 60.65 58.80 1dub s ILE 198 Cb -0.11 -1.84 0.17 0.00 1.25 0.00 0.00 42.46 41.94 1dub s ILE 198 CO 0.28 -0.11 1.27 -0.94 0.24 0.00 0.00 174.94 175.69 1dub s SER 199 N -2.29 3.42 0.21 4.36 1.04 -1.26 -0.77 113.70 118.40 1dub s SER 199 Ca 0.13 0.45 -0.09 0.00 0.48 0.00 0.00 55.95 56.92 1dub s SER 199 Cb -0.08 -0.64 0.15 0.00 0.10 0.00 0.00 66.02 65.55 1dub s SER 199 CO 0.06 -2.56 1.78 0.00 0.98 0.00 0.00 173.24 173.50 1dub h ALA 200 N -1.52 1.00 -0.45 5.32 0.00 -1.61 -0.72 119.26 121.28 1dub h ALA 200 Ca -0.45 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.24 1dub h ALA 200 Cb 1.27 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1dub h ALA 200 CO 0.46 0.61 0.15 1.96 0.00 0.00 0.00 179.25 182.43 1dub h GLN 201 N 1.11 0.69 -0.64 0.00 7.50 -1.88 0.13 115.11 122.01 1dub h GLN 201 Ca 0.26 -0.14 -0.06 0.00 0.50 0.00 0.00 58.65 59.21 1dub h GLN 201 Cb 0.19 -0.10 -0.03 0.00 0.05 0.00 0.00 27.48 27.59 1dub h GLN 201 CO -0.02 0.66 0.18 -0.44 -1.50 0.00 0.00 178.83 177.71 1dub h ASP 202 N 0.58 0.95 -0.55 1.46 3.32 -1.87 0.60 116.42 120.91 1dub h ASP 202 Ca 0.15 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 1dub h ASP 202 Cb 0.25 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 1dub h ASP 202 CO -0.01 0.92 0.19 0.00 -1.72 0.00 0.00 179.24 178.62 1dub h ALA 203 N 1.07 1.23 -0.05 3.45 0.00 -0.67 -0.10 119.26 124.19 1dub h ALA 203 Ca 0.20 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 1dub h ALA 203 Cb 0.32 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1dub h ALA 203 CO -0.00 0.55 -0.56 -0.22 0.00 0.00 0.00 179.25 179.02 1dub h LYS 204 N 0.86 0.46 -0.78 0.00 3.64 -0.57 0.25 116.57 120.44 1dub h LYS 204 Ca 0.20 -0.43 0.11 0.00 -1.27 0.00 0.00 60.65 59.25 1dub h LYS 204 Cb 0.24 0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 32.09 1dub h LYS 204 CO -0.01 1.08 0.41 1.96 -2.27 0.00 0.00 179.45 180.62 1dub h GLN 205 N 0.00 0.64 0.00 1.90 7.50 -0.63 -1.02 115.11 123.50 1dub h GLN 205 Ca -0.06 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.06 1dub h GLN 205 Cb 1.24 -0.14 0.00 0.00 0.05 0.00 0.00 27.48 28.62 1dub h GLN 205 CO 0.11 0.42 -0.06 0.00 -1.50 0.00 0.00 178.83 177.80 1dub n ALA 206 N -2.41 2.39 -0.36 3.87 0.00 -0.07 -4.94 120.51 118.98 1dub n ALA 206 Ca 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1dub n ALA 206 Cb 0.32 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 1.38 0.82 0.25 0.00 0.00 -0.39 -4.27 105.19 102.98 1dub n GLY 207 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 0.95 -8.69 0.99 5.85 -0.78 -3.45 115.31 110.18 1dub h LEU 208 Ca 0.00 -0.47 -0.59 0.00 0.84 0.00 0.00 57.88 57.66 1dub h LEU 208 Cb 0.00 -0.27 -0.23 0.00 0.37 0.00 0.00 40.66 40.53 1dub h LEU 208 CO 0.00 1.27 -0.84 0.68 -0.34 0.00 0.00 178.44 179.21 1dub s VAL 209 N -4.24 1.81 -0.70 1.05 -7.23 -1.11 -4.67 120.40 105.30 1dub s VAL 209 Ca -0.10 -1.52 0.20 0.00 -1.81 0.00 0.00 61.98 58.74 1dub s VAL 209 Cb 0.11 -1.62 -0.24 0.00 0.56 0.00 0.00 36.38 35.18 1dub s VAL 209 CO 0.88 0.01 0.74 -1.54 -0.31 0.00 0.00 175.10 174.89 1dub n SER 210 N 1.19 0.77 -3.74 4.85 3.41 -0.61 -4.26 113.62 115.23 1dub n SER 210 Ca -0.19 -0.72 -0.14 0.00 -0.26 0.00 0.00 58.87 57.57 1dub n SER 210 Cb 0.53 1.25 -0.09 0.00 -0.26 0.00 0.00 64.21 65.64 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 -3.03 0.64 -0.05 4.33 2.47 -1.24 -5.08 119.74 117.78 1dub s LYS 211 Ca 0.04 -0.02 0.06 0.00 -1.56 0.00 0.00 55.97 54.48 1dub s LYS 211 Cb 0.15 0.29 -0.01 0.00 -1.46 0.00 0.00 37.83 36.80 1dub s LYS 211 CO 0.83 -0.17 -0.23 0.42 0.16 0.00 0.00 175.35 176.37 1dub s ILE 212 N -1.01 1.85 0.07 5.43 1.01 -1.26 -1.31 121.20 125.99 1dub s ILE 212 Ca -0.11 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 59.60 1dub s ILE 212 Cb -0.04 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 1dub s ILE 212 CO 0.04 0.52 -0.06 -0.36 0.00 0.00 0.00 174.94 175.08 1dub s PHE 213 N -0.15 0.74 0.54 3.97 0.08 0.59 -4.94 117.98 118.81 1dub s PHE 213 Ca -0.02 -0.85 -0.21 0.00 0.12 0.00 0.00 56.93 55.97 1dub s PHE 213 Cb -0.13 -0.45 -0.06 0.00 -0.57 0.00 0.00 43.02 41.81 1dub s PHE 213 CO 0.03 -0.19 1.05 -2.30 -0.10 0.00 0.00 175.22 173.71 1dub n PRO 214 N 0.35 1.19 -0.28 0.24 -0.02 -1.26 -1.40 135.00 133.82 1dub n PRO 214 Ca -0.15 0.44 0.09 0.00 -2.02 0.00 0.00 63.50 61.86 1dub n PRO 214 Cb 0.59 -2.21 0.24 0.00 -0.02 0.00 0.00 33.50 32.10 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 0.97 0.56 -0.41 -1.45 2.07 -1.93 -1.00 116.25 115.07 1dub h VAL 215 Ca -0.48 -0.14 -0.08 0.00 0.82 0.00 0.00 66.70 66.81 1dub h VAL 215 Cb 1.34 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1dub h VAL 215 CO 0.54 0.08 -0.07 -0.33 0.02 0.00 0.00 177.57 177.80 1dub h GLU 216 N 0.42 0.77 -0.02 1.57 4.39 -2.01 -3.26 114.58 116.44 1dub h GLU 216 Ca 0.48 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1dub h GLU 216 Cb 0.83 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1dub h GLU 216 CO -0.47 0.89 -0.11 0.25 -1.16 0.00 0.00 179.01 178.41 1dub n THR 217 N -4.35 0.00 0.08 1.13 -2.24 -0.93 -4.67 114.28 103.30 1dub n THR 217 Ca -0.01 -0.30 -0.14 0.00 -2.27 0.00 0.00 64.05 61.33 1dub n THR 217 Cb 0.35 0.87 -0.08 0.00 -2.10 0.00 0.00 70.33 69.36 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 2.85 -1.35 -1.17 3.22 5.85 -1.24 0.58 115.31 124.05 1dub h LEU 218 Ca 0.00 0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.91 1dub h LEU 218 Cb 0.68 0.50 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 1dub h LEU 218 CO 0.00 -0.46 0.57 0.58 -0.34 0.00 0.00 178.44 178.79 1dub h VAL 219 N -0.61 1.11 -0.40 1.05 2.07 -1.83 -0.20 116.25 117.45 1dub h VAL 219 Ca -0.00 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1dub h VAL 219 Cb 0.62 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1dub h VAL 219 CO -0.26 0.19 0.19 -0.08 0.02 0.00 0.00 177.57 177.63 1dub h GLU 220 N 1.04 0.57 -0.50 1.57 4.81 -1.75 0.42 114.58 120.74 1dub h GLU 220 Ca 0.36 -0.09 -0.09 0.00 -0.13 0.00 0.00 59.36 59.41 1dub h GLU 220 Cb 0.10 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1dub h GLU 220 CO -0.12 0.51 -0.05 0.93 -0.73 0.00 0.00 179.01 179.55 1dub h GLU 221 N 0.50 0.87 -0.54 1.92 4.39 -0.24 -1.45 114.58 120.02 1dub h GLU 221 Ca 0.14 -0.27 -0.12 0.00 0.34 0.00 0.00 59.36 59.45 1dub h GLU 221 Cb 0.12 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 1dub h GLU 221 CO -0.02 0.90 -0.11 0.00 -1.16 0.00 0.00 179.01 178.62 1dub h ALA 222 N 1.15 0.77 -0.27 3.43 0.00 -0.77 -2.39 119.26 121.18 1dub h ALA 222 Ca 0.14 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1dub h ALA 222 Cb 0.55 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1dub h ALA 222 CO 0.03 0.67 -0.05 0.82 0.00 0.00 0.00 179.25 180.72 1dub h ILE 223 N 0.91 1.19 -0.47 0.00 2.04 -0.38 -0.62 117.51 120.19 1dub h ILE 223 Ca 0.14 -0.79 -0.04 0.00 1.00 0.00 0.00 64.86 65.17 1dub h ILE 223 Cb 0.68 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 1dub h ILE 223 CO 0.05 0.26 0.12 1.56 0.00 0.00 0.00 178.15 180.14 1dub h GLN 224 N 0.41 0.75 -0.13 2.37 1.08 -0.98 0.14 115.11 118.75 1dub h GLN 224 Ca 0.09 -0.18 -0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1dub h GLN 224 Cb 0.35 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.67 1dub h GLN 224 CO 0.01 0.73 0.08 0.00 -0.95 0.00 0.00 178.83 178.71 1dub h ALA 226 N 1.01 1.49 -0.15 0.00 0.00 -0.90 -1.80 119.26 118.91 1dub h ALA 226 Ca 0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1dub h ALA 226 Cb 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1dub h ALA 226 CO -0.01 0.37 0.03 1.49 0.00 0.00 0.00 179.25 181.14 1dub h GLU 227 N 0.46 0.24 -0.72 0.00 4.81 -0.09 0.30 114.58 119.58 1dub h GLU 227 Ca 0.11 -0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.37 1dub h GLU 227 Cb 0.23 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.51 1dub h GLU 227 CO 0.00 0.40 0.36 0.87 -0.73 0.00 0.00 179.01 179.91 1dub h LYS 228 N 0.04 0.59 -0.29 1.92 1.57 -0.55 -0.21 116.57 119.64 1dub h LYS 228 Ca 0.05 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.64 1dub h LYS 228 Cb 0.27 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1dub h LYS 228 CO 0.00 0.39 -0.42 0.82 -0.57 0.00 0.00 179.45 179.67 1dub h ILE 229 N 0.61 1.29 0.00 1.86 2.04 -0.86 -2.90 117.51 119.56 1dub h ILE 229 Ca 0.35 -1.60 -0.08 0.00 1.00 0.00 0.00 64.86 64.53 1dub h ILE 229 Cb 0.37 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 1dub h ILE 229 CO -0.27 0.52 -0.37 0.00 0.00 0.00 0.00 178.15 178.03 1dub h ALA 230 N 0.95 1.19 -0.01 1.87 0.00 0.49 -2.50 119.26 121.25 1dub h ALA 230 Ca 0.04 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1dub h ALA 230 Cb 0.97 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1dub h ALA 230 CO 0.09 0.46 0.01 -0.91 0.00 0.00 0.00 179.25 178.90 1dub h ASN 231 N 0.00 0.00 -4.06 0.00 2.35 -0.85 -3.43 115.58 109.59 1dub h ASN 231 Ca -0.00 0.00 -0.46 0.00 -0.55 0.00 0.00 56.30 55.29 1dub h ASN 231 Cb 0.75 0.00 0.09 0.00 0.05 0.00 0.00 38.32 39.21 1dub h ASN 231 CO 0.05 0.00 0.29 0.20 -1.65 0.00 0.00 177.43 176.32 1dub s ASN 232 N -6.54 4.69 0.09 5.81 0.01 -0.94 -4.79 114.94 113.27 1dub s ASN 232 Ca -0.05 0.57 -0.31 0.00 -0.71 0.00 0.00 52.86 52.36 1dub s ASN 232 Cb 0.16 -1.15 -0.08 0.00 0.41 0.00 0.00 41.25 40.59 1dub s ASN 232 CO 0.60 -1.72 1.54 -0.55 -1.51 0.00 0.00 177.10 175.46 1dub s SER 233 N -4.54 6.68 0.17 -1.22 0.15 -1.26 -4.91 113.70 108.76 1dub s SER 233 Ca 0.61 2.43 -0.14 0.00 0.70 0.00 0.00 55.95 59.54 1dub s SER 233 Cb -0.11 -2.57 0.07 0.00 -1.71 0.00 0.00 66.02 61.70 1dub s SER 233 CO 0.46 -0.80 1.82 0.11 1.20 0.00 0.00 173.24 176.03 1dub h LYS 234 N 7.60 0.62 -0.78 5.44 1.57 -1.87 0.43 116.57 129.58 1dub h LYS 234 Ca -0.42 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.30 1dub h LYS 234 Cb 1.20 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.33 1dub h LYS 234 CO 0.91 0.41 0.39 0.97 -0.57 0.00 0.00 179.45 181.56 1dub h ILE 235 N 0.64 1.24 -0.10 1.86 2.10 -1.91 0.81 117.51 122.15 1dub h ILE 235 Ca 0.19 -0.66 -0.04 0.00 1.08 0.00 0.00 64.86 65.43 1dub h ILE 235 Cb -0.04 0.24 -0.00 0.00 -1.09 0.00 0.00 36.82 35.93 1dub h ILE 235 CO -0.06 0.28 -0.09 0.40 -1.08 0.00 0.00 178.15 177.60 1dub h ILE 236 N 1.10 1.35 -0.93 2.19 1.08 -1.86 -2.30 117.51 118.14 1dub h ILE 236 Ca 0.27 -1.23 0.10 0.00 -0.39 0.00 0.00 64.86 63.61 1dub h ILE 236 Cb 0.09 1.94 -0.07 0.00 -3.07 0.00 0.00 36.82 35.72 1dub h ILE 236 CO -0.04 0.35 0.60 0.58 -0.69 0.00 0.00 178.15 178.95 1dub h VAL 237 N -0.16 0.97 0.00 1.67 2.07 -0.68 0.13 116.25 120.25 1dub h VAL 237 Ca 0.02 -0.32 -0.10 0.00 0.82 0.00 0.00 66.70 67.12 1dub h VAL 237 Cb 0.60 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1dub h VAL 237 CO 0.02 0.17 -0.46 0.00 0.02 0.00 0.00 177.57 177.32 1dub h ALA 238 N 1.54 1.15 -0.08 1.67 0.00 -0.69 -1.31 119.26 121.53 1dub h ALA 238 Ca 0.43 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1dub h ALA 238 Cb 0.40 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1dub h ALA 238 CO -0.20 0.58 -0.40 0.52 0.00 0.00 0.00 179.25 179.75 1dub h MET 239 N 0.00 0.42 -0.25 0.00 2.07 -0.35 -2.58 114.93 114.23 1dub h MET 239 Ca -0.00 -0.34 0.01 0.00 -2.07 0.00 0.00 59.70 57.29 1dub h MET 239 Cb 0.86 0.07 -0.01 0.00 -1.87 0.00 0.00 31.60 30.65 1dub h MET 239 CO 0.06 0.98 0.16 0.00 1.07 0.00 0.00 176.91 179.17 1dub h ALA 240 N 0.45 0.31 -0.39 6.32 0.00 -0.56 0.13 119.26 125.52 1dub h ALA 240 Ca -0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1dub h ALA 240 Cb 1.05 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1dub h ALA 240 CO 0.08 -0.23 0.06 -0.22 0.00 0.00 0.00 179.25 178.95 1dub h LYS 241 N 0.32 0.58 -0.07 0.00 3.64 -1.31 -0.01 116.57 119.72 1dub h LYS 241 Ca 0.10 -0.11 -0.14 0.00 -1.27 0.00 0.00 60.65 59.22 1dub h LYS 241 Cb -0.02 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 1dub h LYS 241 CO -0.03 0.56 -0.59 1.49 -2.27 0.00 0.00 179.45 178.61 1dub h GLU 242 N 0.57 0.23 -0.00 1.90 4.81 -0.94 -1.66 114.58 119.48 1dub h GLU 242 Ca 0.13 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1dub h GLU 242 Cb 0.27 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 1dub h GLU 242 CO 0.00 0.75 -0.00 1.03 -0.73 0.00 0.00 179.01 180.06 1dub h SER 243 N 0.17 0.00 -0.55 1.04 0.87 0.20 -2.50 113.55 112.79 1dub h SER 243 Ca -0.00 -0.52 0.04 0.00 -1.23 0.00 0.00 61.79 60.07 1dub h SER 243 Cb 1.08 -0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.00 1dub h SER 243 CO 0.09 0.52 0.30 0.58 -0.53 0.00 0.00 176.83 177.79 1dub h VAL 244 N -0.52 0.99 -0.54 2.23 2.07 -1.00 -2.01 116.25 117.47 1dub h VAL 244 Ca 0.00 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.34 1dub h VAL 244 Cb 0.52 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1dub h VAL 244 CO 0.00 0.11 0.36 0.78 0.02 0.00 0.00 177.57 178.84 1dub h ASN 245 N 0.58 0.59 0.00 0.57 2.35 -1.29 -0.93 115.58 117.45 1dub h ASN 245 Ca 0.24 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1dub h ASN 245 Cb 0.10 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1dub h ASN 245 CO -0.14 0.42 0.02 0.00 -1.65 0.00 0.00 177.43 176.08 1dub h ALA 246 N 1.67 1.02 0.00 -0.83 0.00 -0.88 -1.97 119.26 118.27 1dub h ALA 246 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1dub h ALA 246 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1dub h ALA 246 CO -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.18 1dub n ALA 247 N -1.94 1.17 0.08 0.00 0.00 -0.36 -0.95 120.51 118.51 1dub n ALA 247 Ca -0.02 0.12 0.05 0.00 0.00 0.00 0.00 53.44 53.59 1dub n ALA 247 Cb 0.08 -1.25 0.10 0.00 0.00 0.00 0.00 19.45 18.38 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 -2.03 0.25 -0.01 0.00 3.72 -0.74 -4.51 117.46 114.14 1dub n PHE 248 Ca -0.00 -0.30 0.00 0.00 -0.05 0.00 0.00 57.45 57.10 1dub n PHE 248 Cb 0.06 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 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 0.48 0.34 -4.04 -1.08 -0.58 -0.13 -5.09 120.64 110.54 1dub n GLU 249 Ca 0.09 -0.41 -0.11 0.00 -0.42 0.00 0.00 57.16 56.31 1dub n GLU 249 Cb 0.34 -0.91 -0.06 0.00 -0.57 0.00 0.00 31.44 30.25 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 -0.17 1.57 0.68 3.49 -1.94 -1.11 -5.10 119.30 116.73 1dub s MET 250 Ca 0.00 -1.41 -0.12 0.00 -1.71 0.00 0.00 55.69 52.45 1dub s MET 250 Cb 0.00 0.44 0.00 0.00 2.01 0.00 0.00 34.83 37.28 1dub s MET 250 CO 0.00 -0.64 1.06 0.95 -0.01 0.00 0.00 175.02 176.39 1dub s THR 251 N -3.84 3.88 0.39 2.05 -4.23 -1.26 -4.74 115.64 107.89 1dub s THR 251 Ca 0.26 0.68 0.09 0.00 -1.18 0.00 0.00 61.69 61.55 1dub s THR 251 Cb 0.01 -3.33 0.30 0.00 1.34 0.00 0.00 72.50 70.82 1dub s THR 251 CO 0.12 -0.73 1.97 0.25 -0.54 0.00 0.00 174.62 175.68 1dub h LEU 252 N -0.45 0.55 -0.12 4.79 5.85 -1.97 0.48 115.31 124.44 1dub h LEU 252 Ca -0.45 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1dub h LEU 252 Cb 1.22 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.13 1dub h LEU 252 CO 0.56 0.35 0.07 0.74 -0.34 0.00 0.00 178.44 179.82 1dub h THR 253 N 0.62 1.02 -0.01 1.05 2.02 -1.99 0.06 112.91 115.68 1dub h THR 253 Ca 0.30 -0.05 -0.15 0.00 0.77 0.00 0.00 66.41 67.28 1dub h THR 253 Cb 0.37 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 1dub h THR 253 CO -0.10 0.03 -0.71 -0.33 0.37 0.00 0.00 175.52 174.78 1dub h GLU 254 N 0.14 0.05 -0.27 6.66 4.39 -1.76 -2.27 114.58 121.52 1dub h GLU 254 Ca 0.04 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 1dub h GLU 254 Cb -0.01 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1dub h GLU 254 CO -0.02 0.74 0.03 0.78 -1.16 0.00 0.00 179.01 179.38 1dub h GLY 255 N 2.00 0.50 1.57 -3.84 0.00 -0.53 -0.12 103.07 102.64 1dub h GLY 255 Ca -0.01 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 1dub h GLY 255 CO 0.10 0.31 -0.01 3.43 0.00 0.00 0.00 176.54 180.38 1dub h ASN 256 N 0.27 0.51 -0.16 0.19 2.35 -0.96 -0.17 115.58 117.60 1dub h ASN 256 Ca 0.08 -0.10 -0.21 0.00 -0.55 0.00 0.00 56.30 55.52 1dub h ASN 256 Cb 0.36 -0.13 0.01 0.00 0.05 0.00 0.00 38.32 38.60 1dub h ASN 256 CO 0.01 0.58 -0.74 0.11 -1.65 0.00 0.00 177.43 175.74 1dub h LYS 257 N 0.52 0.79 -0.12 0.81 1.57 -1.01 -1.60 116.57 117.53 1dub h LYS 257 Ca 0.11 -0.63 -0.01 0.00 -1.87 0.00 0.00 60.65 58.25 1dub h LYS 257 Cb 0.34 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1dub h LYS 257 CO 0.01 1.24 0.04 1.25 -0.57 0.00 0.00 179.45 181.42 1dub h LEU 258 N 0.52 0.17 -0.77 2.94 5.85 -0.81 -1.85 115.31 121.36 1dub h LEU 258 Ca -0.05 -0.19 0.12 0.00 0.84 0.00 0.00 57.88 58.61 1dub h LEU 258 Cb 1.37 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 42.27 1dub h LEU 258 CO 0.15 0.31 0.37 -0.08 -0.34 0.00 0.00 178.44 178.86 1dub h GLU 259 N 0.01 0.57 -0.77 1.25 4.81 -1.01 0.26 114.58 119.70 1dub h GLU 259 Ca 0.04 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1dub h GLU 259 Cb 0.20 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 1dub h GLU 259 CO -0.00 0.38 0.29 -0.22 -0.73 0.00 0.00 179.01 178.73 1dub h LYS 260 N 0.59 1.15 -0.21 1.92 1.63 -1.09 0.96 116.57 121.52 1dub h LYS 260 Ca 0.40 -0.21 -0.11 0.00 -0.85 0.00 0.00 60.65 59.88 1dub h LYS 260 Cb 0.51 -0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 31.95 1dub h LYS 260 CO -0.33 0.94 -0.34 0.87 -3.45 0.00 0.00 179.45 177.14 1dub h LYS 261 N 1.12 0.43 -0.23 1.90 1.57 -0.17 0.99 116.57 122.19 1dub h LYS 261 Ca 0.25 -0.19 -0.20 0.00 -1.87 0.00 0.00 60.65 58.64 1dub h LYS 261 Cb 0.23 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1dub h LYS 261 CO -0.02 0.72 -0.64 -0.07 -0.57 0.00 0.00 179.45 178.87 1dub h LEU 262 N 0.37 0.93 -0.53 2.94 3.38 -0.60 -1.98 115.31 119.82 1dub h LEU 262 Ca 0.04 -0.55 0.02 0.00 0.09 0.00 0.00 57.88 57.49 1dub h LEU 262 Cb 0.78 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 1dub h LEU 262 CO 0.06 1.34 0.32 0.15 0.09 0.00 0.00 178.44 180.41 1dub h PHE 263 N 0.60 0.61 -0.82 1.13 3.57 -0.42 -1.15 116.94 120.45 1dub h PHE 263 Ca -0.01 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.47 1dub h PHE 263 Cb 1.26 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.76 1dub h PHE 263 CO 0.08 0.35 0.38 1.88 -2.23 0.00 0.00 178.31 178.76 1dub h TYR 264 N 0.65 1.20 -0.36 0.41 0.05 -0.65 -2.75 116.97 115.53 1dub h TYR 264 Ca 0.21 -0.07 0.03 0.00 0.05 0.00 0.00 58.73 58.95 1dub h TYR 264 Cb 0.01 -0.37 -0.02 0.00 1.01 0.00 0.00 36.73 37.36 1dub h TYR 264 CO -0.06 0.88 0.24 0.77 -1.05 0.00 0.00 178.16 178.94 1dub h SER 265 N 1.18 0.32 0.03 3.88 0.02 -0.47 -1.16 113.55 117.35 1dub h SER 265 Ca 0.28 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1dub h SER 265 Cb 0.15 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 1dub h SER 265 CO -0.03 0.23 -0.02 0.71 -1.14 0.00 0.00 176.83 176.58 1dub h THR 266 N 0.38 0.64 0.00 -2.27 1.35 -0.97 0.18 112.91 112.22 1dub h THR 266 Ca 0.14 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.94 1dub h THR 266 Cb 0.11 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 1dub h THR 266 CO -0.03 0.01 0.00 0.49 -0.25 0.00 0.00 175.52 175.74 1dub n PHE 267 N -3.98 0.00 1.45 4.73 3.01 -0.44 -1.64 117.46 120.59 1dub n PHE 267 Ca -0.03 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.57 1dub n PHE 267 Cb 0.10 -0.49 0.51 0.00 -0.01 0.00 0.00 39.48 39.58 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 -1.49 2.70 -2.77 4.37 0.00 0.65 -4.91 120.51 119.05 1dub n ALA 268 Ca 0.04 -0.42 -0.22 0.00 0.00 0.00 0.00 53.44 52.84 1dub n ALA 268 Cb 0.21 -1.17 -0.05 0.00 0.00 0.00 0.00 19.45 18.44 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 -2.13 4.23 0.15 0.00 -4.23 -0.65 -5.03 115.64 107.97 1dub s THR 269 Ca 0.35 -1.47 0.04 0.00 -1.18 0.00 0.00 61.69 59.43 1dub s THR 269 Cb 0.21 -3.31 -0.17 0.00 1.34 0.00 0.00 72.50 70.56 1dub s THR 269 CO 0.38 -0.34 1.34 0.44 -0.54 0.00 0.00 174.62 175.91 1dub h ASP 270 N 1.52 0.17 -0.13 3.99 3.32 -1.66 -3.28 116.42 120.35 1dub h ASP 270 Ca -0.48 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.38 1dub h ASP 270 Cb 1.24 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 1dub h ASP 270 CO 0.60 1.01 -0.05 0.44 -1.72 0.00 0.00 179.24 179.52 1dub h ASP 271 N 0.06 0.38 -0.11 6.45 3.32 -1.02 -0.83 116.42 124.67 1dub h ASP 271 Ca -0.04 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.93 1dub h ASP 271 Cb 1.61 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 41.06 1dub h ASP 271 CO 0.14 0.48 0.03 -0.09 -1.72 0.00 0.00 179.24 178.08 1dub h ARG 272 N 0.38 0.17 -0.07 3.56 1.12 -1.76 0.28 114.38 118.06 1dub h ARG 272 Ca 0.08 -0.04 0.03 0.00 -1.11 0.00 0.00 59.98 58.94 1dub h ARG 272 Cb 0.34 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 30.25 1dub h ARG 272 CO 0.01 0.32 -0.09 -0.09 -3.11 0.00 0.00 179.97 177.02 1dub h ARG 273 N -0.02 -0.11 -0.46 0.20 2.43 -1.51 -0.86 114.38 114.05 1dub h ARG 273 Ca 0.03 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.26 1dub h ARG 273 Cb 0.22 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 1dub h ARG 273 CO -0.00 -0.08 0.21 1.49 -1.51 0.00 0.00 179.97 180.09 1dub h GLU 274 N -0.12 0.41 -0.59 0.20 4.57 -0.91 0.31 114.58 118.46 1dub h GLU 274 Ca 0.06 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.14 1dub h GLU 274 Cb 0.20 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 1dub h GLU 274 CO -0.14 0.27 0.08 0.78 -1.18 0.00 0.00 179.01 178.82 1dub h GLY 275 N 0.43 1.03 1.11 1.92 0.00 0.07 -0.95 103.07 106.68 1dub h GLY 275 Ca 0.21 -0.67 -0.21 0.00 0.00 0.00 0.00 47.33 46.66 1dub h GLY 275 CO -0.16 0.62 -0.72 -0.33 0.00 0.00 0.00 176.54 175.95 1dub h MET 276 N 0.90 0.74 -0.40 4.80 2.86 -0.77 -2.97 114.93 120.10 1dub h MET 276 Ca 0.18 -0.60 0.01 0.00 -2.06 0.00 0.00 59.70 57.22 1dub h MET 276 Cb 0.42 0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 1dub h MET 276 CO 0.01 1.22 0.26 0.77 1.06 0.00 0.00 176.91 180.22 1dub h SER 277 N 0.45 0.44 -0.82 1.22 0.02 -0.88 -2.17 113.55 111.81 1dub h SER 277 Ca -0.05 -0.01 0.14 0.00 -0.84 0.00 0.00 61.79 61.03 1dub h SER 277 Cb 1.35 -0.11 -0.06 0.00 0.14 0.00 0.00 62.40 63.73 1dub h SER 277 CO 0.15 0.32 0.54 0.00 -1.14 0.00 0.00 176.83 176.69 1dub h ALA 278 N 1.15 1.95 -0.02 3.77 0.00 -1.17 1.28 119.26 126.22 1dub h ALA 278 Ca 0.15 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1dub h ALA 278 Cb -0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1dub h ALA 278 CO -0.04 -0.17 -0.03 0.35 0.00 0.00 0.00 179.25 179.37 1dub h PHE 279 N 0.57 0.06 -0.06 0.00 3.57 -1.27 0.16 116.94 119.97 1dub h PHE 279 Ca 0.40 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.89 1dub h PHE 279 Cb 0.74 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 1dub h PHE 279 CO -0.00 0.58 -0.02 0.28 -2.23 0.00 0.00 178.31 176.92 1dub h VAL 280 N -0.47 0.93 0.00 1.41 2.07 -0.51 -1.41 116.25 118.27 1dub h VAL 280 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1dub h VAL 280 Cb 0.57 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1dub h VAL 280 CO 0.01 0.00 0.00 -0.62 0.02 0.00 0.00 177.57 176.98 1dub n GLU 281 N -5.13 0.88 -4.04 1.57 1.02 0.42 -4.90 120.64 110.47 1dub n GLU 281 Ca -0.06 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.79 1dub n GLU 281 Cb 0.06 -1.21 -0.02 0.00 -0.02 0.00 0.00 31.44 30.26 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 -0.71 -3.59 -4.40 3.49 5.02 -0.49 -4.96 118.16 112.52 1dub n LYS 282 Ca 0.09 0.42 -0.23 0.00 -2.02 0.00 0.00 58.31 56.58 1dub n LYS 282 Cb 0.04 -4.87 -0.08 0.00 -0.02 0.00 0.00 35.03 30.10 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 -6.68 1.84 0.14 1.97 1.70 0.43 -5.03 118.95 113.32 1dub s ARG 283 Ca 0.35 -2.10 -0.24 0.00 -0.47 0.00 0.00 55.73 53.27 1dub s ARG 283 Cb -0.19 -0.15 -0.08 0.00 -0.57 0.00 0.00 34.95 33.96 1dub s ARG 283 CO 0.89 -0.56 0.75 0.21 -1.08 0.00 0.00 175.30 175.51 1dub s LYS 284 N -3.60 4.51 0.41 3.89 2.20 -1.26 -4.36 119.74 121.53 1dub s LYS 284 Ca 0.32 1.09 -0.23 0.00 -0.36 0.00 0.00 55.97 56.79 1dub s LYS 284 Cb 0.02 -3.27 -0.10 0.00 -1.51 0.00 0.00 37.83 32.98 1dub s LYS 284 CO 0.20 0.55 0.98 0.00 -0.36 0.00 0.00 175.35 176.73 1dub s ALA 285 N -1.03 3.06 -0.53 3.13 0.00 -1.26 -4.93 121.76 120.19 1dub s ALA 285 Ca 0.35 0.52 0.04 0.00 0.00 0.00 0.00 51.96 52.87 1dub s ALA 285 Cb -0.22 -3.20 0.13 0.00 0.00 0.00 0.00 23.12 19.83 1dub s ALA 285 CO 0.25 -0.01 0.28 1.21 0.00 0.00 0.00 175.76 177.50 1dub s ASN 286 N -1.90 4.31 0.54 0.00 3.04 -1.26 -5.07 114.94 114.61 1dub s ASN 286 Ca 0.59 -3.08 -0.17 0.00 0.04 0.00 0.00 52.86 50.24 1dub s ASN 286 Cb -0.15 -1.59 -0.06 0.00 -1.54 0.00 0.00 41.25 37.91 1dub s ASN 286 CO 0.19 -0.22 1.04 -0.36 -3.04 0.00 0.00 177.10 174.72 1dub s PHE 287 N -0.38 3.05 0.00 0.43 0.08 -1.26 -4.95 117.98 114.95 1dub s PHE 287 Ca 0.18 1.53 0.00 0.00 0.12 0.00 0.00 56.93 58.76 1dub s PHE 287 Cb -0.23 -3.00 0.00 0.00 -0.57 0.00 0.00 43.02 39.22 1dub s PHE 287 CO -0.02 -0.91 0.63 1.63 -0.10 0.00 0.00 175.22 176.45 1dub n LYS 288 N -1.59 0.89 -3.56 0.44 5.02 -1.26 -5.01 118.16 113.09 1dub n LYS 288 Ca 0.09 -0.78 -0.23 0.00 -2.02 0.00 0.00 58.31 55.36 1dub n LYS 288 Cb 0.53 -0.66 0.08 0.00 -0.02 0.00 0.00 35.03 34.96 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 -0.15 -5.95 0.00 4.39 8.00 -1.26 -5.02 116.55 116.55 1dub n ASP 289 Ca 0.00 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 54.97 1dub n ASP 289 Cb 0.40 -4.95 0.00 0.00 -0.02 0.00 0.00 41.12 36.56 1dub n ASP 289 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38