#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 3.93 -0.20 1.20 0.08 -1.26 -4.98 117.98 116.76 2dub s PHE 33 Ca 0.00 1.88 0.04 0.00 0.12 0.00 0.00 56.93 58.97 2dub s PHE 33 Cb 0.00 -3.01 -0.21 0.00 -0.57 0.00 0.00 43.02 39.23 2dub s PHE 33 CO 0.00 0.35 0.05 0.94 -0.10 0.00 0.00 175.22 176.46 2dub n GLN 34 N 1.70 0.68 -0.00 0.44 7.27 -1.26 -4.67 117.38 121.54 2dub n GLN 34 Ca -0.01 0.16 0.06 0.00 0.07 0.00 0.00 57.00 57.28 2dub n GLN 34 Cb 0.47 -1.59 -0.09 0.00 2.41 0.00 0.00 30.24 31.44 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 -3.21 0.00 -4.29 3.69 4.01 -1.26 -4.93 117.16 111.17 2dub n TYR 35 Ca -0.38 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.19 2dub n TYR 35 Cb 1.04 -0.13 -0.10 0.00 -0.31 0.00 0.00 39.34 39.84 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 -2.53 1.49 -0.16 -0.72 -4.36 -1.26 0.16 121.20 113.81 2dub s ILE 36 Ca 0.01 -2.04 0.01 0.00 -0.26 0.00 0.00 60.65 58.37 2dub s ILE 36 Cb 0.09 -1.86 0.02 0.00 1.25 0.00 0.00 42.46 41.97 2dub s ILE 36 CO 0.55 -0.58 -0.16 -0.63 0.24 0.00 0.00 174.94 174.36 2dub s ILE 37 N -2.83 1.74 0.29 8.37 1.01 0.79 -4.70 121.20 125.87 2dub s ILE 37 Ca 0.17 -0.75 0.09 0.00 0.00 0.00 0.00 60.65 60.17 2dub s ILE 37 Cb -0.01 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 2dub s ILE 37 CO 0.04 0.48 0.00 0.42 0.00 0.00 0.00 174.94 175.88 2dub s THR 38 N 1.42 3.21 0.00 2.92 -4.23 -1.26 0.12 115.64 117.82 2dub s THR 38 Ca 0.05 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 2dub s THR 38 Cb -0.13 -2.81 0.00 0.00 1.34 0.00 0.00 72.50 70.90 2dub s THR 38 CO -0.11 -0.33 0.00 -1.84 -0.54 0.00 0.00 174.62 171.80 2dub n GLU 39 N -0.92 0.00 -3.19 3.99 0.28 -0.81 -5.01 120.64 114.98 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 -1.73 4.31 0.24 3.44 1.02 -1.26 -1.06 119.74 124.70 2dub s LYS 40 Ca 0.00 0.86 0.06 0.00 0.02 0.00 0.00 55.97 56.91 2dub s LYS 40 Cb 0.00 -3.23 -0.02 0.00 -0.52 0.00 0.00 37.83 34.05 2dub s LYS 40 CO 0.00 0.61 0.20 1.63 -0.92 0.00 0.00 175.35 176.87 2dub n LYS 41 N 1.65 0.30 -0.38 1.68 5.02 0.22 -4.92 118.16 121.73 2dub n LYS 41 Ca -0.09 -2.39 0.05 0.00 -2.02 0.00 0.00 58.31 53.86 2dub n LYS 41 Cb 0.50 1.95 -0.02 0.00 -0.02 0.00 0.00 35.03 37.44 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 -0.44 -1.76 3.56 0.72 0.00 -1.26 -0.99 105.19 105.01 2dub n GLY 42 Ca 0.05 -1.42 -0.53 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.39 0.85 -3.01 1.61 0.00 -1.26 -0.72 118.16 113.23 2dub n LYS 43 Ca -0.00 0.30 -0.15 0.00 0.00 0.00 0.00 58.31 58.46 2dub n LYS 43 Cb 0.18 -1.89 -0.01 0.00 0.00 0.00 0.00 35.03 33.30 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 2.21 -2.38 -4.03 3.14 3.02 -1.26 -1.79 115.26 114.17 2dub n ASN 44 Ca 0.18 -0.05 -0.29 0.00 -0.03 0.00 0.00 54.58 54.40 2dub n ASN 44 Cb 0.17 -2.07 -0.02 0.00 -0.61 0.00 0.00 39.78 37.25 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 -1.90 -1.47 -0.15 6.41 7.64 0.10 -4.87 113.62 119.37 2dub n SER 45 Ca -0.01 -1.00 0.13 0.00 1.01 0.00 0.00 58.87 59.00 2dub n SER 45 Cb 0.52 -3.01 0.39 0.00 -1.01 0.00 0.00 64.21 61.11 2dub n SER 45 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dub n SER 46 N -2.88 0.75 -4.46 6.43 3.41 -0.74 -4.53 113.62 111.60 2dub n SER 46 Ca -0.18 -0.61 -0.36 0.00 -0.26 0.00 0.00 58.87 57.47 2dub n SER 46 Cb 0.62 0.10 -0.12 0.00 -0.26 0.00 0.00 64.21 64.55 2dub n SER 46 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2dub s VAL 47 N -2.65 4.20 -0.38 -3.33 1.01 -0.17 -0.05 120.40 119.03 2dub s VAL 47 Ca 0.21 -0.22 -0.19 0.00 0.00 0.00 0.00 61.98 61.78 2dub s VAL 47 Cb 0.19 -2.93 0.01 0.00 0.00 0.00 0.00 36.38 33.65 2dub s VAL 47 CO 0.56 0.39 0.57 -0.83 0.00 0.00 0.00 175.10 175.79 2dub s GLY 48 N 1.26 1.78 -0.24 4.51 0.00 -0.69 0.73 107.32 114.68 2dub s GLY 48 Ca 0.04 -1.07 -0.11 0.00 0.00 0.00 0.00 44.72 43.58 2dub s GLY 48 CO 0.02 1.39 0.16 -2.27 0.00 0.00 0.00 173.10 172.40 2dub s LEU 49 N 2.57 4.12 -0.15 0.66 2.96 -0.22 -0.89 118.68 127.73 2dub s LEU 49 Ca 0.21 0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 54.22 2dub s LEU 49 Cb -0.15 -2.11 -0.01 0.00 0.50 0.00 0.00 46.19 44.42 2dub s LEU 49 CO 0.15 0.07 -0.12 -0.63 -1.32 0.00 0.00 176.35 174.50 2dub s ILE 50 N 1.05 3.04 -0.20 6.68 1.01 -0.12 -1.93 121.20 130.73 2dub s ILE 50 Ca 0.08 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 60.09 2dub s ILE 50 Cb -0.13 -2.30 0.03 0.00 0.01 0.00 0.00 42.46 40.07 2dub s ILE 50 CO 0.04 0.50 -0.16 -1.58 0.00 0.00 0.00 174.94 173.75 2dub s GLN 51 N 0.68 2.58 0.12 2.79 0.74 0.12 -1.40 119.66 125.29 2dub s GLN 51 Ca -0.06 -0.95 -0.31 0.00 0.05 0.00 0.00 55.36 54.09 2dub s GLN 51 Cb -0.15 -2.59 -0.10 0.00 1.10 0.00 0.00 33.01 31.27 2dub s GLN 51 CO 0.02 -0.34 1.65 -0.51 -0.55 0.00 0.00 175.29 175.56 2dub s LEU 52 N 1.27 4.37 -0.53 3.68 1.43 0.47 -0.15 118.68 129.23 2dub s LEU 52 Ca 0.00 2.60 0.06 0.00 -1.03 0.00 0.00 54.13 55.76 2dub s LEU 52 Cb -0.15 -3.58 0.21 0.00 0.03 0.00 0.00 46.19 42.70 2dub s LEU 52 CO -0.10 -0.89 0.52 -3.20 0.23 0.00 0.00 176.35 172.91 2dub n ASN 53 N 4.90 1.49 -3.07 2.29 5.15 0.42 -4.22 115.26 122.21 2dub n ASN 53 Ca 0.15 -2.90 -0.16 0.00 -0.60 0.00 0.00 54.58 51.07 2dub n ASN 53 Cb 0.39 -0.65 -0.02 0.00 -0.53 0.00 0.00 39.78 38.97 2dub n ASN 53 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 2dub n ARG 54 N 1.81 1.03 -0.33 1.20 0.63 -1.25 -4.54 116.66 115.21 2dub n ARG 54 Ca 0.25 -3.36 0.21 0.00 -0.92 0.00 0.00 57.85 54.02 2dub n ARG 54 Cb 0.45 -1.61 0.46 0.00 0.45 0.00 0.00 32.46 32.21 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 3.00 0.46 -0.43 -0.14 0.13 -1.93 0.15 132.00 133.23 2dub h PRO 55 Ca 0.06 -0.03 0.06 0.00 -0.87 0.00 0.00 66.00 65.22 2dub h PRO 55 Cb 1.01 -0.10 -0.06 0.00 0.13 0.00 0.00 31.00 31.99 2dub h PRO 55 CO 0.50 0.30 0.10 -0.22 -0.23 0.00 0.00 178.00 178.46 2dub h LYS 56 N 0.47 0.24 -0.65 0.86 3.64 -2.02 -1.85 116.57 117.25 2dub h LYS 56 Ca 0.61 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.97 2dub h LYS 56 Cb 1.39 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 2dub h LYS 56 CO -0.35 0.16 0.00 0.00 -2.27 0.00 0.00 179.45 176.99 2dub n ALA 57 N -2.44 3.50 -3.59 5.00 0.00 -0.39 -4.90 120.51 117.69 2dub n ALA 57 Ca 0.03 -1.54 -0.27 0.00 0.00 0.00 0.00 53.44 51.67 2dub n ALA 57 Cb 0.19 -1.09 0.02 0.00 0.00 0.00 0.00 19.45 18.58 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 0.64 -2.39 -1.94 0.00 4.77 -0.70 -1.30 117.00 116.08 2dub n LEU 58 Ca 0.23 -0.57 -0.19 0.00 -0.03 0.00 0.00 56.01 55.45 2dub n LEU 58 Cb 0.98 -2.57 -0.03 0.00 -2.33 0.00 0.00 43.42 39.47 2dub n LEU 58 CO 0.26 0.36 -0.22 0.59 -1.33 0.00 0.00 177.39 177.05 2dub n ASN 59 N -2.66 -5.38 -4.65 -1.43 3.02 -0.10 -1.47 115.26 102.60 2dub n ASN 59 Ca -0.00 0.12 -0.48 0.00 -0.03 0.00 0.00 54.58 54.19 2dub n ASN 59 Cb 0.55 -4.46 -0.05 0.00 -0.61 0.00 0.00 39.78 35.21 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 -0.97 0.61 -2.18 5.41 0.00 -0.42 -4.33 120.51 118.64 2dub n ALA 60 Ca -0.21 0.46 -0.36 0.00 0.00 0.00 0.00 53.44 53.33 2dub n ALA 60 Cb 0.65 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.80 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 3.28 4.10 -4.83 0.00 4.77 0.97 -4.74 117.00 120.55 2dub n LEU 61 Ca 0.18 -3.50 -0.31 0.00 -0.03 0.00 0.00 56.01 52.35 2dub n LEU 61 Cb 0.26 -1.69 0.06 0.00 -2.33 0.00 0.00 43.42 39.71 2dub n LEU 61 CO 0.64 -0.77 0.72 0.00 -1.33 0.00 0.00 177.39 176.64 2dub h ASN 63 N -0.77 0.58 -0.39 0.00 -1.24 -1.96 -1.69 115.58 110.11 2dub h ASN 63 Ca -0.45 0.05 -0.06 0.00 0.71 0.00 0.00 56.30 56.55 2dub h ASN 63 Cb 1.23 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 40.20 2dub h ASN 63 CO 0.59 0.26 0.00 1.23 -1.29 0.00 0.00 177.43 178.22 2dub h GLY 64 N 0.59 0.74 1.01 1.57 0.00 -1.99 -1.95 103.07 103.04 2dub h GLY 64 Ca 0.47 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 2dub h GLY 64 CO -0.22 0.50 0.28 -2.00 0.00 0.00 0.00 176.54 175.10 2dub h LEU 65 N 0.51 0.90 -0.99 3.11 5.85 -1.74 -2.18 115.31 120.78 2dub h LEU 65 Ca 0.11 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.67 2dub h LEU 65 Cb 0.47 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 2dub h LEU 65 CO 0.02 0.81 0.64 0.40 -0.34 0.00 0.00 178.44 179.97 2dub h ILE 66 N 0.93 1.26 -0.65 4.05 1.08 -1.19 0.92 117.51 123.91 2dub h ILE 66 Ca 0.22 -0.50 -0.08 0.00 -0.39 0.00 0.00 64.86 64.11 2dub h ILE 66 Cb 0.19 -0.18 -0.03 0.00 -3.07 0.00 0.00 36.82 33.73 2dub h ILE 66 CO -0.02 0.26 0.09 -0.08 -0.69 0.00 0.00 178.15 177.71 2dub h GLU 67 N 1.35 1.07 -0.19 2.37 4.81 -0.90 -1.02 114.58 122.06 2dub h GLU 67 Ca 0.36 -0.29 -0.15 0.00 -0.13 0.00 0.00 59.36 59.15 2dub h GLU 67 Cb -0.13 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.13 2dub h GLU 67 CO -0.07 0.99 -0.47 0.93 -0.73 0.00 0.00 179.01 179.65 2dub h GLU 68 N 1.00 0.66 -0.50 1.92 5.08 -0.95 -2.33 114.58 119.46 2dub h GLU 68 Ca 0.20 -0.45 0.06 0.00 -1.00 0.00 0.00 59.36 58.16 2dub h GLU 68 Cb 0.44 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.71 2dub h GLU 68 CO 0.01 1.07 0.21 1.25 -1.00 0.00 0.00 179.01 180.56 2dub h LEU 69 N 0.34 0.26 -1.28 1.33 5.85 -0.63 0.20 115.31 121.38 2dub h LEU 69 Ca -0.01 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 2dub h LEU 69 Cb 1.09 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 2dub h LEU 69 CO 0.10 0.18 0.11 0.78 -0.34 0.00 0.00 178.44 179.27 2dub h ASN 70 N 0.41 0.55 0.29 1.25 2.35 -1.16 -0.49 115.58 118.78 2dub h ASN 70 Ca 0.23 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 2dub h ASN 70 Cb 0.21 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.44 2dub h ASN 70 CO -0.21 0.54 -0.14 1.56 -1.65 0.00 0.00 177.43 177.54 2dub h GLN 71 N 0.59 -0.37 -0.90 0.81 4.20 -0.49 -0.81 115.11 118.14 2dub h GLN 71 Ca 0.14 0.03 0.12 0.00 0.06 0.00 0.00 58.65 58.99 2dub h GLN 71 Cb 0.21 0.08 -0.08 0.00 0.30 0.00 0.00 27.48 27.99 2dub h GLN 71 CO -0.01 -0.08 0.52 0.00 -0.67 0.00 0.00 178.83 178.59 2dub h ALA 72 N -0.04 1.34 -0.15 3.87 0.00 -0.39 0.12 119.26 124.02 2dub h ALA 72 Ca -0.04 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2dub h ALA 72 Cb 0.46 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2dub h ALA 72 CO 0.06 0.08 0.06 -0.07 0.00 0.00 0.00 179.25 179.38 2dub h LEU 73 N 0.81 0.20 -0.88 0.00 3.38 -0.96 -0.91 115.31 116.96 2dub h LEU 73 Ca 0.46 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 2dub h LEU 73 Cb 0.51 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 2dub h LEU 73 CO -0.29 0.32 0.53 -0.33 0.09 0.00 0.00 178.44 178.76 2dub h GLU 74 N 0.08 1.20 0.24 1.13 4.39 -0.22 0.11 114.58 121.50 2dub h GLU 74 Ca 0.05 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 2dub h GLU 74 Cb 0.18 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 2dub h GLU 74 CO -0.00 0.84 -0.12 1.15 -1.16 0.00 0.00 179.01 179.72 2dub h THR 75 N 1.21 0.79 -0.17 1.13 2.02 -0.58 -1.19 112.91 116.12 2dub h THR 75 Ca 0.31 -0.19 -0.03 0.00 0.77 0.00 0.00 66.41 67.27 2dub h THR 75 Cb -0.04 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2dub h THR 75 CO -0.06 0.04 -0.04 -0.26 0.37 0.00 0.00 175.52 175.57 2dub h PHE 76 N -0.43 0.25 -0.74 3.16 0.04 -0.96 -0.88 116.94 117.39 2dub h PHE 76 Ca -0.03 -0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.66 2dub h PHE 76 Cb 0.32 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.36 2dub h PHE 76 CO -0.03 0.30 0.22 1.49 -0.60 0.00 0.00 178.31 179.69 2dub h GLU 77 N 0.25 1.16 -0.00 1.51 4.57 -0.37 -2.80 114.58 118.89 2dub h GLU 77 Ca 0.06 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 2dub h GLU 77 Cb 0.24 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 2dub h GLU 77 CO 0.01 0.99 -0.27 0.39 -1.18 0.00 0.00 179.01 178.95 2dub n GLU 78 N -4.24 0.02 -2.61 1.92 1.02 -0.48 -4.77 120.64 111.49 2dub n GLU 78 Ca 0.06 -0.01 -0.43 0.00 -0.02 0.00 0.00 57.16 56.76 2dub n GLU 78 Cb 0.24 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.14 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 -2.99 6.59 0.64 1.62 -1.08 -0.40 -4.89 116.67 116.17 2dub s ASP 79 Ca 0.13 0.38 0.35 0.00 -0.52 0.00 0.00 52.55 52.89 2dub s ASP 79 Cb 0.18 -2.55 1.95 0.00 -1.46 0.00 0.00 42.92 41.05 2dub s ASP 79 CO 0.62 -1.29 2.16 -0.65 0.52 0.00 0.00 175.17 176.53 2dub h PRO 80 N 9.29 0.00 0.00 4.34 0.11 -1.86 -0.58 132.00 143.30 2dub h PRO 80 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 2dub h PRO 80 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2dub h PRO 80 CO 1.14 0.00 -0.06 0.00 -0.21 0.00 0.00 178.00 178.87 2dub h ALA 81 N 1.74 0.97 -3.11 -0.75 0.00 -1.91 -3.45 119.26 112.75 2dub h ALA 81 Ca 0.03 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.35 2dub h ALA 81 Cb 0.34 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.03 2dub h ALA 81 CO -0.00 0.00 -0.34 0.08 0.00 0.00 0.00 179.25 178.99 2dub s VAL 82 N -3.17 5.31 -0.03 0.00 1.01 -0.23 -3.91 120.40 119.38 2dub s VAL 82 Ca 0.08 0.52 0.12 0.00 0.00 0.00 0.00 61.98 62.70 2dub s VAL 82 Cb 0.08 -3.62 -0.18 0.00 0.00 0.00 0.00 36.38 32.66 2dub s VAL 82 CO 0.65 0.38 0.23 0.61 0.00 0.00 0.00 175.10 176.97 2dub n GLY 83 N 3.45 -0.56 3.37 4.51 0.00 0.92 -4.91 105.19 111.98 2dub n GLY 83 Ca -0.12 -0.27 -0.15 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.75 -1.25 0.01 4.61 0.00 -1.23 -4.25 121.76 116.91 2dub s ALA 84 Ca -0.05 0.79 0.05 0.00 0.00 0.00 0.00 51.96 52.75 2dub s ALA 84 Cb 0.07 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 2dub s ALA 84 CO 0.50 -0.31 -0.13 0.42 0.00 0.00 0.00 175.76 176.24 2dub s ILE 85 N -1.27 3.15 -0.17 0.00 1.01 0.19 -1.69 121.20 122.42 2dub s ILE 85 Ca -0.12 -0.94 0.01 0.00 0.00 0.00 0.00 60.65 59.59 2dub s ILE 85 Cb -0.03 -2.33 0.01 0.00 0.01 0.00 0.00 42.46 40.13 2dub s ILE 85 CO 0.07 0.41 -0.18 -0.69 0.00 0.00 0.00 174.94 174.55 2dub s VAL 86 N -0.91 2.35 -0.16 2.92 1.01 -0.06 0.01 120.40 125.56 2dub s VAL 86 Ca 0.15 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 2dub s VAL 86 Cb -0.11 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 2dub s VAL 86 CO 0.05 0.52 -0.03 -0.22 0.00 0.00 0.00 175.10 175.42 2dub s LEU 87 N 1.06 3.28 0.28 3.92 2.96 0.12 -0.94 118.68 129.36 2dub s LEU 87 Ca -0.01 -0.12 -0.06 0.00 -0.22 0.00 0.00 54.13 53.72 2dub s LEU 87 Cb -0.14 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 44.74 2dub s LEU 87 CO -0.06 0.16 0.41 0.28 -1.32 0.00 0.00 176.35 175.82 2dub s THR 88 N 0.40 0.00 0.00 3.68 -1.32 -0.49 -0.34 115.64 117.57 2dub s THR 88 Ca -0.03 -1.60 0.00 0.00 -1.21 0.00 0.00 61.69 58.84 2dub s THR 88 Cb -0.14 -2.44 0.00 0.00 -1.51 0.00 0.00 72.50 68.41 2dub s THR 88 CO 0.03 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.05 2dub n GLY 89 N -0.44 3.90 2.03 6.08 0.00 -1.26 -0.39 105.19 115.11 2dub n GLY 89 Ca 0.00 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 3.10 0.89 0.09 -0.02 0.00 0.36 -4.65 105.19 104.96 2dub n GLY 90 Ca 0.00 -2.02 -0.03 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.17 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 58.96 2dub h GLU 91 Cb 0.64 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 2dub h GLU 91 CO 0.19 0.80 -1.28 1.17 -0.73 0.00 0.00 179.01 179.16 2dub n LYS 92 N -3.29 0.62 -3.65 1.92 4.81 -1.26 -3.44 118.16 113.86 2dub n LYS 92 Ca 0.00 0.17 -0.07 0.00 -0.87 0.00 0.00 58.31 57.54 2dub n LYS 92 Cb 0.87 -1.81 -0.08 0.00 0.02 0.00 0.00 35.03 34.03 2dub n LYS 92 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2dub s ALA 93 N -3.10 -1.69 -0.06 3.14 0.00 -1.24 -2.17 121.76 116.63 2dub s ALA 93 Ca -0.02 2.20 -0.23 0.00 0.00 0.00 0.00 51.96 53.90 2dub s ALA 93 Cb 0.09 -1.35 -0.18 0.00 0.00 0.00 0.00 23.12 21.67 2dub s ALA 93 CO 0.81 -0.42 0.93 0.35 0.00 0.00 0.00 175.76 177.43 2dub h PHE 94 N 7.16 -0.10 -0.35 0.00 3.57 0.63 0.11 116.94 127.96 2dub h PHE 94 Ca -0.30 -0.00 0.24 0.00 3.53 0.00 0.00 57.97 61.44 2dub h PHE 94 Cb 1.20 0.03 -0.22 0.00 2.79 0.00 0.00 35.95 39.76 2dub h PHE 94 CO 0.11 0.45 0.17 0.00 -2.23 0.00 0.00 178.31 176.81 2dub s ALA 95 N -3.52 -3.41 -2.00 2.41 0.00 -0.40 -4.37 121.76 110.47 2dub s ALA 95 Ca -0.14 1.49 0.14 0.00 0.00 0.00 0.00 51.96 53.44 2dub s ALA 95 Cb 0.00 -2.46 0.82 0.00 0.00 0.00 0.00 23.12 21.48 2dub s ALA 95 CO 0.56 -1.40 1.26 0.00 0.00 0.00 0.00 175.76 176.17 2dub n ALA 96 N 5.39 2.12 0.00 0.00 0.00 -0.54 -1.69 120.51 125.79 2dub n ALA 96 Ca -0.07 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2dub n ALA 96 Cb 0.54 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 0.08 2.47 3.44 0.00 0.00 -0.89 -4.51 105.19 105.77 2dub n GLY 97 Ca 0.10 -2.00 -0.30 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.80 -0.29 -0.57 4.61 0.00 -1.26 -0.02 121.76 122.43 2dub s ALA 98 Ca 0.00 -0.63 -0.21 0.00 0.00 0.00 0.00 51.96 51.13 2dub s ALA 98 Cb 0.00 -3.03 0.07 0.00 0.00 0.00 0.00 23.12 20.16 2dub s ALA 98 CO 0.00 -4.06 0.77 0.34 0.00 0.00 0.00 175.76 172.81 2dub s ASP 99 N -3.15 6.22 0.24 0.00 2.15 -1.23 -4.38 116.67 116.52 2dub s ASP 99 Ca 0.69 -1.00 -0.07 0.00 0.43 0.00 0.00 52.55 52.60 2dub s ASP 99 Cb -0.16 -2.34 0.26 0.00 -0.30 0.00 0.00 42.92 40.37 2dub s ASP 99 CO 0.59 -1.13 1.89 0.40 -0.17 0.00 0.00 175.17 176.75 2dub h ILE 100 N 5.93 1.16 -0.24 4.11 1.08 -1.96 -1.88 117.51 125.71 2dub h ILE 100 Ca -0.28 -0.39 0.02 0.00 -0.39 0.00 0.00 64.86 63.82 2dub h ILE 100 Cb 1.08 -0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 34.76 2dub h ILE 100 CO 1.07 0.21 0.16 0.11 -0.69 0.00 0.00 178.15 179.01 2dub h LYS 101 N 1.13 0.23 -0.10 2.37 1.79 -1.99 0.29 116.57 120.28 2dub h LYS 101 Ca 0.35 -0.01 -0.12 0.00 -2.18 0.00 0.00 60.65 58.68 2dub h LYS 101 Cb -0.03 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 2dub h LYS 101 CO -0.11 0.15 -0.47 0.93 -1.08 0.00 0.00 179.45 178.87 2dub h GLU 102 N 0.24 0.25 0.00 3.15 5.08 -1.76 -3.18 114.58 118.36 2dub h GLU 102 Ca 0.10 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2dub h GLU 102 Cb 0.10 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2dub h GLU 102 CO -0.02 0.68 -1.47 0.00 -1.00 0.00 0.00 179.01 177.20 2dub n MET 103 N -3.98 0.33 -0.19 2.33 0.00 -0.86 -4.60 117.12 110.16 2dub n MET 103 Ca -0.02 -0.09 0.03 0.00 0.00 0.00 0.00 57.70 57.61 2dub n MET 103 Cb 0.52 -1.52 0.06 0.00 0.00 0.00 0.00 33.22 32.29 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 -1.89 -0.06 -0.21 3.17 0.00 0.97 -0.25 117.38 119.10 2dub n GLN 104 Ca 0.00 0.82 0.12 0.00 -0.00 0.00 0.00 57.00 57.94 2dub n GLN 104 Cb 0.45 -1.22 0.23 0.00 0.00 0.00 0.00 30.24 29.70 2dub n GLN 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2dub n ASN 105 N -4.84 3.50 -4.77 1.69 3.02 -1.26 -4.98 115.26 107.61 2dub n ASN 105 Ca 0.08 -1.99 -0.34 0.00 -0.03 0.00 0.00 54.58 52.30 2dub n ASN 105 Cb 0.25 -0.27 0.03 0.00 -0.61 0.00 0.00 39.78 39.18 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 -1.45 2.96 0.43 3.52 3.00 0.65 -5.05 118.95 123.01 2dub s ARG 106 Ca 0.40 1.49 0.06 0.00 0.00 0.00 0.00 55.73 57.68 2dub s ARG 106 Cb 0.23 -1.96 -0.05 0.00 0.00 0.00 0.00 34.95 33.16 2dub s ARG 106 CO 0.32 -1.14 0.09 0.95 0.00 0.00 0.00 175.30 175.52 2dub s THR 107 N -2.12 1.96 0.19 0.02 -4.23 -1.26 -5.01 115.64 105.20 2dub s THR 107 Ca 0.69 -1.87 -0.12 0.00 -1.18 0.00 0.00 61.69 59.22 2dub s THR 107 Cb -0.22 -2.82 0.11 0.00 1.34 0.00 0.00 72.50 70.90 2dub s THR 107 CO 0.37 0.00 1.81 0.15 -0.54 0.00 0.00 174.62 176.40 2dub h PHE 108 N 1.53 0.60 0.00 3.99 3.57 -1.99 -1.56 116.94 123.08 2dub h PHE 108 Ca -0.43 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.02 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 0.83 0.31 -0.33 1.96 -2.23 0.00 0.00 178.31 178.85 2dub h GLN 109 N 0.63 0.00 -0.17 1.11 7.50 -1.99 -0.51 115.11 121.67 2dub h GLN 109 Ca 0.25 0.00 -0.02 0.00 0.50 0.00 0.00 58.65 59.38 2dub h GLN 109 Cb 0.11 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.64 2dub h GLN 109 CO -0.15 0.33 0.04 -0.44 -1.50 0.00 0.00 178.83 177.11 2dub h ASP 110 N 0.00 0.27 0.50 1.46 3.32 -1.71 -2.29 116.42 117.96 2dub h ASP 110 Ca -0.00 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.78 2dub h ASP 110 Cb 0.59 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.06 2dub h ASP 110 CO 0.04 0.44 -0.32 0.00 -1.72 0.00 0.00 179.24 177.68 2dub h TYR 112 N -0.77 0.00 -3.17 0.00 3.20 -1.17 -3.52 116.97 111.54 2dub h TYR 112 Ca -0.07 0.00 -0.66 0.00 3.14 0.00 0.00 58.73 61.14 2dub h TYR 112 Cb 0.62 0.00 -0.39 0.00 1.54 0.00 0.00 36.73 38.50 2dub h TYR 112 CO -0.04 0.00 -0.32 0.43 -1.64 0.00 0.00 178.16 176.59 2dub n SER 113 N -3.97 3.66 -4.07 -2.11 7.64 -0.86 -5.10 113.62 108.81 2dub n SER 113 Ca 0.13 -3.18 -0.30 0.00 1.01 0.00 0.00 58.87 56.53 2dub n SER 113 Cb 0.83 -0.91 -0.17 0.00 -1.01 0.00 0.00 64.21 62.96 2dub n SER 113 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2dub s HIS 119 N -1.48 2.20 -0.18 1.43 0.09 -1.26 -5.02 115.29 111.07 2dub s HIS 119 Ca 0.27 -1.11 0.29 0.00 -0.00 0.00 0.00 55.06 54.51 2dub s HIS 119 Cb -0.05 -1.57 1.12 0.00 -0.00 0.00 0.00 32.58 32.08 2dub s HIS 119 CO -0.14 -0.57 1.85 -1.49 -0.00 0.00 0.00 174.74 174.39 2dub h TRP 120 N 7.58 0.00 -0.15 1.40 -0.00 -2.01 -3.13 115.95 119.64 2dub h TRP 120 Ca -0.34 0.00 -0.08 0.00 -0.00 0.00 0.00 58.89 58.47 2dub h TRP 120 Cb 1.17 0.00 -0.05 0.00 -0.00 0.00 0.00 29.16 30.27 2dub h TRP 120 CO 0.47 0.00 -0.38 -0.40 -0.00 0.00 0.00 178.44 178.14 2dub n ASP 121 N -2.78 2.10 0.25 -3.49 5.75 -1.26 -4.68 116.55 112.44 2dub n ASP 121 Ca 0.02 -3.87 0.09 0.00 -0.01 0.00 0.00 54.79 51.02 2dub n ASP 121 Cb 0.31 -0.56 0.65 0.00 -1.03 0.00 0.00 41.12 40.49 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 1.05 0.00 -0.19 2.11 2.76 -1.98 -1.60 115.15 117.30 2dub h HIS 122 Ca 0.09 0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.31 2dub h HIS 122 Cb 1.23 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.18 2dub h HIS 122 CO 0.86 0.13 0.22 0.97 -1.30 0.00 0.00 177.93 178.81 2dub h ILE 123 N 0.00 0.42 0.00 6.26 2.10 -1.87 0.28 117.51 124.70 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 0.27 0.82 0.00 0.00 -1.09 0.00 0.00 36.82 36.82 2dub h ILE 123 CO 0.02 0.00 0.00 0.35 -1.08 0.00 0.00 178.15 177.44 2dub n THR 124 N -3.73 0.06 0.97 2.19 -2.24 -0.60 -3.08 114.28 107.85 2dub n THR 124 Ca 0.02 0.02 0.11 0.00 -2.27 0.00 0.00 64.05 61.93 2dub n THR 124 Cb 0.35 -0.54 0.10 0.00 -2.10 0.00 0.00 70.33 68.14 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 -1.38 0.02 -2.30 -0.78 3.00 0.97 -4.91 116.66 111.28 2dub n ARG 125 Ca 0.11 -0.00 -0.42 0.00 -0.01 0.00 0.00 57.85 57.53 2dub n ARG 125 Cb 0.27 -1.51 -0.03 0.00 0.00 0.00 0.00 32.46 31.20 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 -3.01 3.71 0.10 0.55 -1.09 -1.18 -4.94 121.20 115.35 2dub s ILE 126 Ca 0.09 1.22 0.06 0.00 -2.23 0.00 0.00 60.65 59.80 2dub s ILE 126 Cb 0.17 -3.78 -0.22 0.00 -1.58 0.00 0.00 42.46 37.04 2dub s ILE 126 CO 0.77 0.09 1.21 0.11 -1.23 0.00 0.00 174.94 175.89 2dub h LYS 127 N 6.88 0.03 -7.01 2.79 1.57 -1.91 -3.46 116.57 115.47 2dub h LYS 127 Ca -0.41 -0.05 -0.47 0.00 -1.87 0.00 0.00 60.65 57.85 2dub h LYS 127 Cb 1.21 0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.55 2dub h LYS 127 CO 0.84 0.99 0.38 0.15 -0.57 0.00 0.00 179.45 181.24 2dub s LYS 128 N -2.70 4.10 0.45 3.15 1.02 -1.26 -4.61 119.74 119.89 2dub s LYS 128 Ca -0.00 1.36 -0.25 0.00 0.02 0.00 0.00 55.97 57.10 2dub s LYS 128 Cb 0.10 -2.34 -0.08 0.00 -0.52 0.00 0.00 37.83 34.98 2dub s LYS 128 CO 0.83 -0.17 1.38 -2.14 -0.92 0.00 0.00 175.35 174.32 2dub s PRO 129 N -2.84 3.70 -0.11 -1.68 0.02 -1.26 -4.83 135.00 127.99 2dub s PRO 129 Ca 0.61 2.31 0.01 0.00 0.02 0.00 0.00 61.00 63.95 2dub s PRO 129 Cb -0.17 -2.63 0.02 0.00 0.02 0.00 0.00 34.50 31.74 2dub s PRO 129 CO 0.22 -0.77 -0.13 0.08 -0.33 0.00 0.00 177.00 176.06 2dub s VAL 130 N -1.24 1.39 -0.12 3.83 1.01 -1.26 -0.64 120.40 123.37 2dub s VAL 130 Ca 0.61 -0.56 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 2dub s VAL 130 Cb -0.41 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 2dub s VAL 130 CO 0.53 0.42 -0.03 -0.63 0.00 0.00 0.00 175.10 175.38 2dub s ILE 131 N 1.18 3.95 -0.26 2.22 1.01 0.10 -1.17 121.20 128.24 2dub s ILE 131 Ca -0.03 -0.36 -0.11 0.00 0.00 0.00 0.00 60.65 60.15 2dub s ILE 131 Cb -0.14 -2.69 -0.05 0.00 0.01 0.00 0.00 42.46 39.59 2dub s ILE 131 CO -0.04 0.54 0.20 0.00 0.00 0.00 0.00 174.94 175.64 2dub s ALA 132 N -0.14 3.56 -0.74 9.38 0.00 0.50 0.16 121.76 134.48 2dub s ALA 132 Ca 0.03 -0.97 -0.12 0.00 0.00 0.00 0.00 51.96 50.89 2dub s ALA 132 Cb -0.13 -2.45 0.19 0.00 0.00 0.00 0.00 23.12 20.74 2dub s ALA 132 CO 0.02 -0.42 0.66 0.00 0.00 0.00 0.00 175.76 176.03 2dub s ALA 133 N 1.51 3.92 -0.44 0.00 0.00 0.54 -0.54 121.76 126.75 2dub s ALA 133 Ca 0.08 -3.17 -0.23 0.00 0.00 0.00 0.00 51.96 48.65 2dub s ALA 133 Cb -0.15 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.67 2dub s ALA 133 CO 0.08 -2.20 0.75 0.08 0.00 0.00 0.00 175.76 174.48 2dub s VAL 134 N 0.38 4.69 -0.07 0.00 1.01 0.57 -4.33 120.40 122.66 2dub s VAL 134 Ca 0.15 0.42 0.02 0.00 0.00 0.00 0.00 61.98 62.57 2dub s VAL 134 Cb -0.15 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 31.92 2dub s VAL 134 CO -0.06 -0.66 -0.13 0.20 0.00 0.00 0.00 175.10 174.45 2dub s ASN 135 N 2.08 4.10 0.67 3.32 0.01 -1.26 -0.02 114.94 123.84 2dub s ASN 135 Ca 0.29 -0.21 0.00 0.00 -0.71 0.00 0.00 52.86 52.23 2dub s ASN 135 Cb -0.13 -1.07 0.00 0.00 0.41 0.00 0.00 41.25 40.47 2dub s ASN 135 CO 0.21 0.30 0.00 0.61 -1.51 0.00 0.00 177.10 176.72 2dub n GLY 136 N 2.59 1.62 3.72 0.66 0.00 -1.22 -1.84 105.19 110.71 2dub n GLY 136 Ca -0.17 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.43 1.61 2.02 -0.92 -0.58 117.35 122.33 2dub s TYR 137 Ca 0.00 1.03 0.04 0.00 -0.37 0.00 0.00 57.07 57.78 2dub s TYR 137 Cb 0.00 -3.63 0.18 0.00 -0.40 0.00 0.00 41.96 38.11 2dub s TYR 137 CO 0.00 -2.16 0.37 0.00 -1.57 0.00 0.00 175.55 172.19 2dub n ALA 138 N 3.85 2.86 -2.53 3.71 0.00 -0.16 0.32 120.51 128.55 2dub n ALA 138 Ca 0.11 -3.22 -0.30 0.00 0.00 0.00 0.00 53.44 50.03 2dub n ALA 138 Cb 0.43 -0.77 -0.11 0.00 0.00 0.00 0.00 19.45 19.00 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 -0.17 2.86 0.00 0.00 1.43 -0.68 -3.03 118.68 119.08 2dub s LEU 139 Ca 0.33 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 2dub s LEU 139 Cb 0.05 -1.68 0.00 0.00 0.03 0.00 0.00 46.19 44.59 2dub s LEU 139 CO -0.19 0.20 0.00 0.61 0.23 0.00 0.00 176.35 177.20 2dub n GLY 140 N 0.96 3.28 0.45 -3.19 0.00 0.13 -0.25 105.19 106.57 2dub n GLY 140 Ca -0.15 -0.01 0.27 0.00 0.00 0.00 0.00 46.02 46.13 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 0.35 1.02 -0.02 0.00 -1.88 0.21 103.07 102.75 2dub h GLY 141 Ca 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 47.33 47.18 2dub h GLY 141 CO 0.00 -0.02 -0.01 -1.33 0.00 0.00 0.00 176.54 175.18 2dub h GLY 142 N 0.14 0.98 1.13 4.60 0.00 -0.73 -0.58 103.07 108.61 2dub h GLY 142 Ca 0.48 -0.73 -0.11 0.00 0.00 0.00 0.00 47.33 46.96 2dub h GLY 142 CO -0.08 0.67 -0.11 0.00 0.00 0.00 0.00 176.54 177.02 2dub h GLU 144 N 0.90 0.62 -0.32 0.00 5.08 -1.10 -1.50 114.58 118.27 2dub h GLU 144 Ca 0.14 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 2dub h GLU 144 Cb 0.68 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 2dub h GLU 144 CO 0.05 0.78 0.07 1.25 -1.00 0.00 0.00 179.01 180.15 2dub h LEU 145 N 0.56 0.49 -0.91 1.33 5.85 -0.94 -1.43 115.31 120.26 2dub h LEU 145 Ca 0.09 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 2dub h LEU 145 Cb 0.64 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 2dub h LEU 145 CO 0.05 0.61 0.45 0.00 -0.34 0.00 0.00 178.44 179.20 2dub h ALA 146 N 0.90 1.16 0.00 1.25 0.00 -1.26 -1.82 119.26 119.49 2dub h ALA 146 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2dub h ALA 146 Cb 0.32 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2dub h ALA 146 CO 0.00 0.66 0.00 0.52 0.00 0.00 0.00 179.25 180.43 2dub h MET 147 N 1.22 0.00 0.00 0.00 2.86 -0.96 -2.02 114.93 116.03 2dub h MET 147 Ca 0.30 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.94 2dub h MET 147 Cb 0.07 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 2dub h MET 147 CO -0.04 0.00 -0.03 0.52 1.06 0.00 0.00 176.91 178.42 2dub h MET 148 N 0.00 0.00 -7.20 1.72 2.07 -0.37 -3.44 114.93 107.71 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 0.48 0.00 0.08 0.00 -1.87 0.00 0.00 31.60 30.29 2dub h MET 148 CO 0.00 0.03 0.38 0.00 1.07 0.00 0.00 176.91 178.38 2dub h ASP 150 N 0.31 0.94 -4.34 0.00 3.32 -1.44 -3.45 116.42 111.76 2dub h ASP 150 Ca -0.47 -0.39 -0.40 0.00 0.02 0.00 0.00 57.03 55.79 2dub h ASP 150 Cb 1.23 -0.26 -0.25 0.00 0.22 0.00 0.00 39.33 40.27 2dub h ASP 150 CO 0.56 1.17 -0.78 -0.63 -1.72 0.00 0.00 179.24 177.84 2dub s ILE 151 N -4.51 0.94 -0.09 0.35 1.01 -1.15 -5.05 121.20 112.70 2dub s ILE 151 Ca -0.10 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.64 2dub s ILE 151 Cb 0.12 -0.86 0.02 0.00 0.01 0.00 0.00 42.46 41.74 2dub s ILE 151 CO 0.87 -0.04 -0.12 -0.63 0.00 0.00 0.00 174.94 175.02 2dub s ILE 152 N -0.84 1.23 -0.10 2.92 1.01 -1.26 -0.37 121.20 123.79 2dub s ILE 152 Ca -0.00 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.17 2dub s ILE 152 Cb -0.07 -1.15 -0.02 0.00 0.01 0.00 0.00 42.46 41.22 2dub s ILE 152 CO 0.01 0.39 -0.11 -0.31 0.00 0.00 0.00 174.94 174.91 2dub s TYR 153 N 1.04 2.83 -0.04 3.97 1.51 0.29 -1.84 117.35 125.11 2dub s TYR 153 Ca -0.07 -0.32 0.06 0.00 -1.01 0.00 0.00 57.07 55.73 2dub s TYR 153 Cb -0.15 -1.76 -0.02 0.00 -0.11 0.00 0.00 41.96 39.92 2dub s TYR 153 CO -0.01 0.04 -0.20 0.00 -1.11 0.00 0.00 175.55 174.27 2dub s ALA 154 N -0.22 2.41 0.63 3.71 0.00 -0.02 -0.31 121.76 127.96 2dub s ALA 154 Ca 0.02 -1.05 -0.14 0.00 0.00 0.00 0.00 51.96 50.79 2dub s ALA 154 Cb -0.13 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.20 2dub s ALA 154 CO 0.03 0.54 1.05 0.20 0.00 0.00 0.00 175.76 177.58 2dub s GLY 155 N -0.64 1.91 0.43 0.00 0.00 0.98 -1.02 107.32 108.97 2dub s GLY 155 Ca 0.10 0.23 0.25 0.00 0.00 0.00 0.00 44.72 45.30 2dub s GLY 155 CO -0.00 0.54 1.71 -2.09 0.00 0.00 0.00 173.10 173.25 2dub h GLU 156 N -0.03 0.22 -0.53 2.90 4.81 -0.85 -0.79 114.58 120.31 2dub h GLU 156 Ca -0.45 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 58.58 2dub h GLU 156 Cb 1.21 -0.05 -0.11 0.00 0.63 0.00 0.00 28.75 30.43 2dub h GLU 156 CO 0.58 0.15 0.14 1.63 -0.73 0.00 0.00 179.01 180.77 2dub n LYS 157 N -4.62 2.80 -1.38 1.92 5.02 -1.26 -4.61 118.16 116.03 2dub n LYS 157 Ca 0.31 -3.05 -0.32 0.00 -2.02 0.00 0.00 58.31 53.23 2dub n LYS 157 Cb 1.16 -2.00 0.08 0.00 -0.02 0.00 0.00 35.03 34.25 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 -3.06 2.30 -0.07 7.82 0.00 -0.30 -3.93 121.76 124.52 2dub s ALA 158 Ca 0.49 0.34 -0.03 0.00 0.00 0.00 0.00 51.96 52.76 2dub s ALA 158 Cb 0.41 -3.29 0.04 0.00 0.00 0.00 0.00 23.12 20.28 2dub s ALA 158 CO 0.08 -1.65 0.14 -0.65 0.00 0.00 0.00 175.76 173.68 2dub s GLN 159 N -4.70 0.09 0.03 0.00 -0.21 0.25 -2.89 119.66 112.24 2dub s GLN 159 Ca 0.63 0.38 0.06 0.00 0.02 0.00 0.00 55.36 56.45 2dub s GLN 159 Cb -0.18 -0.19 -0.03 0.00 1.00 0.00 0.00 33.01 33.61 2dub s GLN 159 CO 0.52 -0.18 -0.16 -0.06 -2.12 0.00 0.00 175.29 173.30 2dub s PHE 160 N 1.25 2.62 -0.24 0.91 0.40 -0.59 -0.99 117.98 121.34 2dub s PHE 160 Ca -0.08 -0.22 -0.36 0.00 -0.60 0.00 0.00 56.93 55.67 2dub s PHE 160 Cb -0.12 -1.49 0.15 0.00 0.51 0.00 0.00 43.02 42.07 2dub s PHE 160 CO -0.06 0.27 1.29 0.20 0.70 0.00 0.00 175.22 177.63 2dub s GLY 161 N -1.43 -0.23 -0.53 4.36 0.00 -1.17 -0.32 107.32 108.00 2dub s GLY 161 Ca 0.15 1.82 0.04 0.00 0.00 0.00 0.00 44.72 46.72 2dub s GLY 161 CO 0.06 0.62 0.32 1.20 0.00 0.00 0.00 173.10 175.29 2dub s GLN 162 N -2.15 1.74 0.00 2.90 -1.52 -1.26 -0.70 119.66 118.67 2dub s GLN 162 Ca 0.10 -2.53 0.08 0.00 -1.95 0.00 0.00 55.36 51.07 2dub s GLN 162 Cb -0.01 -2.81 0.43 0.00 -0.22 0.00 0.00 33.01 30.40 2dub s GLN 162 CO -0.04 -1.20 1.29 -0.35 -0.25 0.00 0.00 175.29 174.74 2dub n PRO 163 N 2.97 1.14 -0.31 2.91 -0.04 -1.26 -4.19 135.00 136.22 2dub n PRO 163 Ca 0.12 -0.22 0.22 0.00 -0.04 0.00 0.00 63.50 63.59 2dub n PRO 163 Cb 0.35 -1.15 0.51 0.00 -0.04 0.00 0.00 33.50 33.18 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 0.38 0.38 -0.63 0.54 3.07 -1.90 0.25 114.58 116.67 2dub h GLU 164 Ca 0.00 -0.02 0.02 0.00 -0.50 0.00 0.00 59.36 58.85 2dub h GLU 164 Cb 0.09 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 27.88 2dub h GLU 164 CO 0.00 0.25 0.42 0.97 -1.40 0.00 0.00 179.01 179.25 2dub h ILE 165 N 0.39 1.14 0.00 3.13 6.09 -1.54 -0.00 117.51 126.72 2dub h ILE 165 Ca 0.57 -0.28 0.00 0.00 -1.37 0.00 0.00 64.86 63.78 2dub h ILE 165 Cb 1.46 0.24 0.00 0.00 0.47 0.00 0.00 36.82 38.99 2dub h ILE 165 CO -0.27 0.15 0.00 -0.07 -3.07 0.00 0.00 178.15 174.89 2dub h LEU 166 N 0.82 0.00 -2.78 2.19 3.38 -1.21 -1.78 115.31 115.94 2dub h LEU 166 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2dub h LEU 166 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 2dub h LEU 166 CO -0.06 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.65 2dub n LEU 167 N -2.35 3.65 -0.30 1.67 4.77 -0.10 -4.94 117.00 119.40 2dub n LEU 167 Ca 0.01 -1.99 -0.04 0.00 -0.03 0.00 0.00 56.01 53.97 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 0.18 0.91 -0.04 0.61 -1.33 0.00 0.00 177.39 177.73 2dub n GLY 168 N 1.31 0.54 3.32 -0.72 0.00 -0.67 -5.02 105.19 103.96 2dub n GLY 168 Ca 0.21 -0.87 -0.19 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.14 0.00 0.29 2.61 -1.32 -0.71 -5.02 115.64 109.35 2dub s THR 169 Ca 0.00 -1.93 0.10 0.00 -1.21 0.00 0.00 61.69 58.65 2dub s THR 169 Cb 0.00 -2.53 -0.05 0.00 -1.51 0.00 0.00 72.50 68.40 2dub s THR 169 CO 0.00 0.00 -0.16 0.27 -2.21 0.00 0.00 174.62 172.52 2dub s ILE 170 N -3.33 2.27 0.23 5.08 -4.36 -1.26 -1.78 121.20 118.05 2dub s ILE 170 Ca 0.39 -2.31 -0.32 0.00 -0.26 0.00 0.00 60.65 58.15 2dub s ILE 170 Cb 0.02 -2.37 -0.13 0.00 1.25 0.00 0.00 42.46 41.22 2dub s ILE 170 CO 0.27 -0.36 1.50 -2.65 0.24 0.00 0.00 174.94 173.94 2dub n PRO 171 N -0.63 2.22 -0.13 0.37 -0.02 -1.26 -4.90 135.00 130.64 2dub n PRO 171 Ca -0.05 0.79 0.06 0.00 -2.02 0.00 0.00 63.50 62.28 2dub n PRO 171 Cb 0.61 -2.51 0.12 0.00 -0.02 0.00 0.00 33.50 31.71 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 2.54 3.92 2.65 -1.23 0.00 -1.26 -4.64 105.19 107.17 2dub n GLY 172 Ca 0.12 -0.69 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.75 3.52 -0.76 4.61 0.00 -1.26 -4.93 120.51 120.94 2dub n ALA 173 Ca 0.12 -3.23 0.00 0.00 0.00 0.00 0.00 53.44 50.33 2dub n ALA 173 Cb 0.55 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.23 0.68 0.26 0.00 0.00 -1.26 -4.80 105.19 99.84 2dub n GLY 174 Ca 0.13 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.19 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 0.26 0.85 -0.02 0.00 -1.92 0.74 103.07 102.98 2dub h GLY 175 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.20 2dub h GLY 175 CO 0.00 0.12 -0.50 -1.30 0.00 0.00 0.00 176.54 174.86 2dub n THR 176 N -4.38 0.00 -0.11 4.70 -2.24 -1.26 -3.59 114.28 107.39 2dub n THR 176 Ca -0.00 -0.02 -0.21 0.00 -2.27 0.00 0.00 64.05 61.55 2dub n THR 176 Cb 0.18 0.31 -0.07 0.00 -2.10 0.00 0.00 70.33 68.66 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 -1.40 0.54 0.05 -0.78 1.13 -0.83 -4.13 117.38 111.96 2dub n GLN 177 Ca 0.06 0.23 -0.09 0.00 -1.94 0.00 0.00 57.00 55.26 2dub n GLN 177 Cb 0.34 -1.42 0.04 0.00 0.11 0.00 0.00 30.24 29.31 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 -0.95 0.41 -0.02 -1.09 3.08 -1.09 -2.15 114.38 112.57 2dub h ARG 178 Ca -0.43 -0.32 -0.00 0.00 0.07 0.00 0.00 59.98 59.30 2dub h ARG 178 Cb 1.36 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.47 2dub h ARG 178 CO -0.26 0.95 0.00 1.25 -1.07 0.00 0.00 179.97 180.85 2dub h LEU 179 N 0.29 0.03 -0.27 3.04 5.85 -1.69 -2.37 115.31 120.18 2dub h LEU 179 Ca -0.02 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.41 2dub h LEU 179 Cb 1.27 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 2dub h LEU 179 CO 0.12 0.32 0.13 0.74 -0.34 0.00 0.00 178.44 179.41 2dub h THR 180 N -0.27 0.98 0.00 1.05 2.02 -1.71 0.19 112.91 115.17 2dub h THR 180 Ca 0.00 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 2dub h THR 180 Cb 0.31 0.69 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 2dub h THR 180 CO 0.00 0.05 -0.04 0.03 0.37 0.00 0.00 175.52 175.93 2dub h ARG 181 N 0.27 0.00 0.02 6.66 3.08 -1.37 0.15 114.38 123.20 2dub h ARG 181 Ca 0.11 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.81 2dub h ARG 181 Cb 0.04 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.04 2dub h ARG 181 CO -0.08 0.04 -2.18 0.00 -1.07 0.00 0.00 179.97 176.68 2dub n ALA 182 N -2.33 1.36 0.45 0.04 0.00 -0.85 -4.64 120.51 114.56 2dub n ALA 182 Ca -0.03 -1.00 0.07 0.00 0.00 0.00 0.00 53.44 52.49 2dub n ALA 182 Cb 0.13 -0.41 -0.10 0.00 0.00 0.00 0.00 19.45 19.07 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 -3.09 0.00 0.00 0.00 0.31 0.62 -4.41 118.33 111.75 2dub n VAL 183 Ca -0.32 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 2dub n VAL 183 Cb 1.07 0.70 0.00 0.00 -0.91 0.00 0.00 33.84 34.70 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 1.45 0.83 0.17 2.92 0.00 0.53 -4.56 105.19 106.54 2dub n GLY 184 Ca 0.01 -1.72 -0.08 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 0.52 0.38 1.61 3.64 -1.95 -2.10 116.57 118.68 2dub h LYS 185 Ca 0.00 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2dub h LYS 185 Cb 0.00 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 2dub h LYS 185 CO 0.00 0.39 -0.39 1.03 -2.27 0.00 0.00 179.45 178.21 2dub h SER 186 N 0.51 -1.06 -0.54 4.20 0.87 -1.97 0.66 113.55 116.22 2dub h SER 186 Ca 0.14 0.09 -0.09 0.00 -1.23 0.00 0.00 61.79 60.70 2dub h SER 186 Cb -0.00 0.36 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 2dub h SER 186 CO -0.03 -0.54 -0.02 0.25 -0.53 0.00 0.00 176.83 175.97 2dub h LEU 187 N -0.79 0.97 -0.51 2.23 5.85 -1.80 -1.75 115.31 119.51 2dub h LEU 187 Ca -0.03 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.41 2dub h LEU 187 Cb 0.71 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 2dub h LEU 187 CO -0.07 1.04 0.32 0.00 -0.34 0.00 0.00 178.44 179.39 2dub h ALA 188 N 1.06 0.65 -0.74 1.25 0.00 -1.20 -0.66 119.26 119.62 2dub h ALA 188 Ca 0.16 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2dub h ALA 188 Cb 0.56 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2dub h ALA 188 CO 0.03 0.12 0.25 0.52 0.00 0.00 0.00 179.25 180.17 2dub h MET 189 N 0.69 1.14 -0.22 0.00 2.86 -0.72 -0.05 114.93 118.63 2dub h MET 189 Ca 0.19 -0.24 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2dub h MET 189 Cb -0.04 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.44 2dub h MET 189 CO -0.04 0.96 0.12 1.49 1.06 0.00 0.00 176.91 180.51 2dub h GLU 190 N 1.09 0.30 -0.17 1.72 4.81 -0.90 -0.27 114.58 121.16 2dub h GLU 190 Ca 0.24 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.40 2dub h GLU 190 Cb 0.29 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2dub h GLU 190 CO -0.01 0.26 -0.05 0.52 -0.73 0.00 0.00 179.01 179.01 2dub h MET 191 N 0.25 0.33 -0.23 1.92 2.86 -0.94 -2.22 114.93 116.90 2dub h MET 191 Ca 0.08 -0.13 -0.13 0.00 -2.06 0.00 0.00 59.70 57.45 2dub h MET 191 Cb 0.05 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2dub h MET 191 CO -0.01 0.61 -0.41 0.28 1.06 0.00 0.00 176.91 178.43 2dub h VAL 192 N 0.04 1.30 0.00 -2.22 2.07 -0.99 0.10 116.25 116.55 2dub h VAL 192 Ca 0.04 -1.58 -0.04 0.00 0.82 0.00 0.00 66.70 65.95 2dub h VAL 192 Cb 0.49 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 2dub h VAL 192 CO 0.02 0.49 -0.46 -0.07 0.02 0.00 0.00 177.57 177.57 2dub h LEU 193 N 0.45 0.00 0.00 2.57 3.38 -1.07 -3.37 115.31 117.26 2dub h LEU 193 Ca 0.04 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2dub h LEU 193 Cb 0.91 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2dub h LEU 193 CO 0.08 0.15 -1.44 0.35 0.09 0.00 0.00 178.44 177.67 2dub n THR 194 N -3.01 0.20 -0.87 0.22 -2.24 -0.84 -4.98 114.28 102.77 2dub n THR 194 Ca 0.01 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2dub n THR 194 Cb 0.60 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 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 2.20 0.61 3.75 3.38 0.00 0.36 -4.83 105.19 110.66 2dub n GLY 195 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.13 5.28 0.21 1.61 1.11 -1.24 -4.38 116.67 117.13 2dub s ASP 196 Ca 0.00 2.41 0.01 0.00 0.18 0.00 0.00 52.55 55.15 2dub s ASP 196 Cb 0.00 -2.60 -0.04 0.00 1.07 0.00 0.00 42.92 41.35 2dub s ASP 196 CO 0.00 -1.54 0.38 -0.13 1.18 0.00 0.00 175.17 175.06 2dub s ARG 197 N -3.24 3.49 0.09 8.23 0.52 -1.26 -4.46 118.95 122.33 2dub s ARG 197 Ca 0.76 -0.44 0.09 0.00 -0.52 0.00 0.00 55.73 55.61 2dub s ARG 197 Cb -0.31 -2.85 -0.03 0.00 0.52 0.00 0.00 34.95 32.27 2dub s ARG 197 CO 0.34 0.41 -0.22 0.96 0.02 0.00 0.00 175.30 176.81 2dub s ILE 198 N -1.90 1.80 0.97 1.52 -4.36 0.56 -4.95 121.20 114.84 2dub s ILE 198 Ca 0.37 -1.51 -0.14 0.00 -0.26 0.00 0.00 60.65 59.11 2dub s ILE 198 Cb -0.11 -1.62 0.17 0.00 1.25 0.00 0.00 42.46 42.16 2dub s ILE 198 CO 0.30 0.02 1.15 -0.94 0.24 0.00 0.00 174.94 175.70 2dub s SER 199 N -1.79 2.98 0.18 4.36 1.04 -1.26 -1.54 113.70 117.66 2dub s SER 199 Ca 0.08 0.88 -0.11 0.00 0.48 0.00 0.00 55.95 57.27 2dub s SER 199 Cb -0.10 -1.37 0.08 0.00 0.10 0.00 0.00 66.02 64.74 2dub s SER 199 CO 0.04 -2.87 1.71 0.00 0.98 0.00 0.00 173.24 173.10 2dub h ALA 200 N -1.72 0.81 -0.81 5.32 0.00 -1.78 -0.19 119.26 120.89 2dub h ALA 200 Ca -0.50 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.20 2dub h ALA 200 Cb 1.32 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 2dub h ALA 200 CO 0.55 0.46 0.43 1.96 0.00 0.00 0.00 179.25 182.65 2dub h GLN 201 N 0.88 1.13 -0.12 0.00 7.50 -1.90 0.53 115.11 123.12 2dub h GLN 201 Ca 0.20 -0.14 -0.02 0.00 0.50 0.00 0.00 58.65 59.20 2dub h GLN 201 Cb 0.27 -0.22 -0.00 0.00 0.05 0.00 0.00 27.48 27.58 2dub h GLN 201 CO -0.01 0.84 0.00 -0.44 -1.50 0.00 0.00 178.83 177.72 2dub h ASP 202 N 1.13 0.21 -0.85 1.46 3.32 -1.81 -0.97 116.42 118.92 2dub h ASP 202 Ca 0.28 -0.30 0.05 0.00 0.02 0.00 0.00 57.03 57.07 2dub h ASP 202 Cb 0.05 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 2dub h ASP 202 CO -0.04 0.47 0.54 0.00 -1.72 0.00 0.00 179.24 178.48 2dub h ALA 203 N 0.76 1.14 -0.07 3.45 0.00 -0.55 0.67 119.26 124.66 2dub h ALA 203 Ca 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2dub h ALA 203 Cb 0.36 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2dub h ALA 203 CO 0.01 0.33 -0.05 -0.22 0.00 0.00 0.00 179.25 179.32 2dub h LYS 204 N 1.02 0.16 -0.88 0.00 3.64 -0.82 0.24 116.57 119.94 2dub h LYS 204 Ca 0.35 -0.07 0.07 0.00 -1.27 0.00 0.00 60.65 59.73 2dub h LYS 204 Cb 0.08 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.84 2dub h LYS 204 CO -0.14 0.56 0.57 0.37 -2.27 0.00 0.00 179.45 178.54 2dub h GLN 205 N -0.24 0.93 0.00 1.90 5.75 -0.80 -1.05 115.11 121.60 2dub h GLN 205 Ca 0.01 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 2dub h GLN 205 Cb 0.52 -0.21 0.00 0.00 1.07 0.00 0.00 27.48 28.86 2dub h GLN 205 CO 0.01 0.62 0.00 0.00 -2.65 0.00 0.00 178.83 176.81 2dub h ALA 206 N 1.53 1.00 0.00 3.38 0.00 -0.78 -3.47 119.26 120.92 2dub h ALA 206 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2dub h ALA 206 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2dub h ALA 206 CO -0.15 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.51 2dub n GLY 207 N 0.90 0.84 0.25 0.00 0.00 -0.40 -4.31 105.19 102.48 2dub n GLY 207 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 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 0.94 -8.72 0.99 5.85 -0.77 -3.45 115.31 110.16 2dub h LEU 208 Ca 0.00 -0.48 -0.54 0.00 0.84 0.00 0.00 57.88 57.70 2dub h LEU 208 Cb 0.00 -0.27 -0.20 0.00 0.37 0.00 0.00 40.66 40.56 2dub h LEU 208 CO 0.00 1.27 -0.81 0.68 -0.34 0.00 0.00 178.44 179.24 2dub s VAL 209 N -4.20 1.73 -0.85 1.05 -7.23 -1.14 -4.71 120.40 105.04 2dub s VAL 209 Ca -0.10 -1.66 0.19 0.00 -1.81 0.00 0.00 61.98 58.59 2dub s VAL 209 Cb 0.11 -1.64 -0.21 0.00 0.56 0.00 0.00 36.38 35.20 2dub s VAL 209 CO 0.88 -0.15 0.78 -1.54 -0.31 0.00 0.00 175.10 174.77 2dub n SER 210 N 0.83 0.87 -3.80 4.85 3.41 -0.77 -4.24 113.62 114.78 2dub n SER 210 Ca -0.17 -0.91 -0.12 0.00 -0.26 0.00 0.00 58.87 57.41 2dub n SER 210 Cb 0.55 1.04 -0.08 0.00 -0.26 0.00 0.00 64.21 65.45 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 -2.80 0.68 -0.08 4.33 -0.14 -1.25 -5.08 119.74 115.41 2dub s LYS 211 Ca 0.07 -0.40 0.01 0.00 -1.36 0.00 0.00 55.97 54.29 2dub s LYS 211 Cb 0.14 0.29 0.02 0.00 -1.68 0.00 0.00 37.83 36.60 2dub s LYS 211 CO 0.77 -0.19 -0.10 0.42 -0.76 0.00 0.00 175.35 175.49 2dub s ILE 212 N -1.90 1.05 0.15 2.17 1.01 -1.26 -0.84 121.20 121.58 2dub s ILE 212 Ca -0.10 -0.39 0.05 0.00 0.00 0.00 0.00 60.65 60.21 2dub s ILE 212 Cb -0.04 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 2dub s ILE 212 CO 0.00 0.35 -0.11 -0.36 0.00 0.00 0.00 174.94 174.82 2dub s PHE 213 N 0.99 1.33 0.54 3.97 0.08 -0.19 -4.93 117.98 119.78 2dub s PHE 213 Ca -0.09 -0.73 -0.22 0.00 0.12 0.00 0.00 56.93 56.02 2dub s PHE 213 Cb -0.15 -0.67 -0.06 0.00 -0.57 0.00 0.00 43.02 41.58 2dub s PHE 213 CO -0.00 0.12 1.28 -2.30 -0.10 0.00 0.00 175.22 174.22 2dub n PRO 214 N -0.21 1.58 -0.26 0.24 -0.02 -1.26 -0.20 135.00 134.87 2dub n PRO 214 Ca -0.10 0.58 0.07 0.00 -2.02 0.00 0.00 63.50 62.03 2dub n PRO 214 Cb 0.60 -2.47 0.20 0.00 -0.02 0.00 0.00 33.50 31.81 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 1.36 0.40 0.00 -1.45 2.07 -1.94 -0.75 116.25 115.94 2dub h VAL 215 Ca -0.50 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 66.89 2dub h VAL 215 Cb 1.31 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 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 0.19 0.00 -0.02 1.57 3.07 -2.01 -3.20 114.58 114.19 2dub h GLU 216 Ca 0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.31 2dub h GLU 216 Cb 0.81 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.72 2dub h GLU 216 CO -0.60 0.31 -0.03 0.25 -1.40 0.00 0.00 179.01 177.55 2dub n THR 217 N -4.13 0.00 -0.02 1.13 -2.24 -0.84 -4.72 114.28 103.46 2dub n THR 217 Ca -0.02 -0.49 -0.14 0.00 -2.27 0.00 0.00 64.05 61.13 2dub n THR 217 Cb 0.36 1.28 -0.09 0.00 -2.10 0.00 0.00 70.33 69.78 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 2.66 -1.65 -1.18 3.22 5.85 -1.15 -0.47 115.31 122.60 2dub h LEU 218 Ca 0.00 0.20 0.03 0.00 0.84 0.00 0.00 57.88 58.96 2dub h LEU 218 Cb 0.58 0.65 -0.05 0.00 0.37 0.00 0.00 40.66 42.22 2dub h LEU 218 CO 0.00 -0.46 0.56 0.58 -0.34 0.00 0.00 178.44 178.78 2dub h VAL 219 N -0.54 1.14 -0.24 1.05 2.07 -1.84 -1.22 116.25 116.66 2dub h VAL 219 Ca 0.05 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 2dub h VAL 219 Cb 0.66 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2dub h VAL 219 CO -0.45 0.19 0.13 -0.08 0.02 0.00 0.00 177.57 177.39 2dub h GLU 220 N 1.06 0.33 -0.53 1.57 4.81 -1.71 -1.42 114.58 118.69 2dub h GLU 220 Ca 0.34 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.50 2dub h GLU 220 Cb 0.02 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 2dub h GLU 220 CO -0.10 0.29 0.21 0.93 -0.73 0.00 0.00 179.01 179.61 2dub h GLU 221 N 0.28 0.77 -0.07 1.92 4.39 -0.49 -1.36 114.58 120.02 2dub h GLU 221 Ca 0.08 -0.12 -0.12 0.00 0.34 0.00 0.00 59.36 59.55 2dub h GLU 221 Cb 0.05 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.55 2dub h GLU 221 CO -0.01 0.64 -0.51 0.00 -1.16 0.00 0.00 179.01 177.96 2dub h ALA 222 N 1.47 1.00 -0.22 3.43 0.00 -0.96 -2.43 119.26 121.55 2dub h ALA 222 Ca 0.18 -0.48 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 2dub h ALA 222 Cb 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2dub h ALA 222 CO -0.02 0.66 -0.45 0.82 0.00 0.00 0.00 179.25 180.26 2dub h ILE 223 N 0.16 1.31 -0.67 0.00 2.04 -0.51 -1.63 117.51 118.20 2dub h ILE 223 Ca 0.00 -1.64 -0.06 0.00 1.00 0.00 0.00 64.86 64.16 2dub h ILE 223 Cb 0.96 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 38.63 2dub h ILE 223 CO 0.08 0.52 0.19 1.56 0.00 0.00 0.00 178.15 180.49 2dub h GLN 224 N 0.46 1.04 -0.53 2.37 4.20 -0.97 -0.07 115.11 121.60 2dub h GLN 224 Ca 0.03 -0.22 -0.11 0.00 0.06 0.00 0.00 58.65 58.41 2dub h GLN 224 Cb 0.97 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.58 2dub h GLN 224 CO 0.09 0.90 -0.08 0.00 -0.67 0.00 0.00 178.83 179.07 2dub h ALA 226 N 0.92 1.22 0.28 0.00 0.00 -0.83 -2.55 119.26 118.31 2dub h ALA 226 Ca 0.14 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2dub h ALA 226 Cb 0.64 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2dub h ALA 226 CO 0.04 0.51 -0.15 0.93 0.00 0.00 0.00 179.25 180.58 2dub h GLU 227 N 0.32 -0.39 -0.63 0.00 5.08 -0.82 0.16 114.58 118.29 2dub h GLU 227 Ca 0.05 0.03 0.08 0.00 -1.00 0.00 0.00 59.36 58.52 2dub h GLU 227 Cb 0.62 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.89 2dub h GLU 227 CO 0.04 -0.26 0.28 0.87 -1.00 0.00 0.00 179.01 178.94 2dub h LYS 228 N -0.41 0.48 -0.62 2.33 1.57 -1.31 0.06 116.57 118.68 2dub h LYS 228 Ca -0.03 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 2dub h LYS 228 Cb 0.33 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.50 2dub h LYS 228 CO 0.04 0.32 0.10 0.82 -0.57 0.00 0.00 179.45 180.16 2dub h ILE 229 N 0.49 1.25 0.00 1.86 2.04 -1.21 -2.52 117.51 119.43 2dub h ILE 229 Ca 0.31 -0.99 -0.04 0.00 1.00 0.00 0.00 64.86 65.13 2dub h ILE 229 Cb 0.33 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 2dub h ILE 229 CO -0.26 0.37 -0.20 0.00 0.00 0.00 0.00 178.15 178.05 2dub h ALA 230 N 1.16 1.45 0.00 1.87 0.00 0.82 -2.60 119.26 121.96 2dub h ALA 230 Ca 0.19 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2dub h ALA 230 Cb 0.41 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2dub h ALA 230 CO 0.01 0.25 -0.16 -0.91 0.00 0.00 0.00 179.25 178.44 2dub h ASN 231 N 0.00 0.00 -4.13 0.00 2.35 -0.59 -3.45 115.58 109.76 2dub h ASN 231 Ca -0.00 0.00 -0.46 0.00 -0.55 0.00 0.00 56.30 55.29 2dub h ASN 231 Cb 0.41 0.00 0.09 0.00 0.05 0.00 0.00 38.32 38.88 2dub h ASN 231 CO 0.03 0.16 0.32 0.20 -1.65 0.00 0.00 177.43 176.49 2dub s ASN 232 N -6.08 4.57 0.08 5.81 0.01 -0.98 -4.84 114.94 113.52 2dub s ASN 232 Ca 0.01 0.58 -0.31 0.00 -0.71 0.00 0.00 52.86 52.43 2dub s ASN 232 Cb 0.09 -1.11 -0.09 0.00 0.41 0.00 0.00 41.25 40.55 2dub s ASN 232 CO 0.62 -1.81 1.68 -0.55 -1.51 0.00 0.00 177.10 175.53 2dub s SER 233 N -4.57 6.57 0.17 -1.22 0.15 -1.26 -4.89 113.70 108.65 2dub s SER 233 Ca 0.62 2.54 -0.14 0.00 0.70 0.00 0.00 55.95 59.66 2dub s SER 233 Cb -0.10 -2.57 0.09 0.00 -1.71 0.00 0.00 66.02 61.73 2dub s SER 233 CO 0.47 -0.90 1.79 0.11 1.20 0.00 0.00 173.24 175.91 2dub h LYS 234 N 8.27 0.46 -0.82 5.44 1.57 -1.88 0.25 116.57 129.86 2dub h LYS 234 Ca -0.43 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.28 2dub h LYS 234 Cb 1.20 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.37 2dub h LYS 234 CO 0.93 0.30 0.34 0.97 -0.57 0.00 0.00 179.45 181.43 2dub h ILE 235 N 0.47 1.26 -0.15 1.86 2.10 -1.90 0.91 117.51 122.06 2dub h ILE 235 Ca 0.19 -0.81 -0.19 0.00 1.08 0.00 0.00 64.86 65.14 2dub h ILE 235 Cb 0.08 0.27 -0.00 0.00 -1.09 0.00 0.00 36.82 36.08 2dub h ILE 235 CO -0.12 0.33 -0.67 0.40 -1.08 0.00 0.00 178.15 177.01 2dub h ILE 236 N 1.18 1.33 -0.67 2.19 1.08 -1.83 -2.48 117.51 118.30 2dub h ILE 236 Ca 0.27 -1.95 -0.06 0.00 -0.39 0.00 0.00 64.86 62.73 2dub h ILE 236 Cb 0.19 1.93 -0.03 0.00 -3.07 0.00 0.00 36.82 35.84 2dub h ILE 236 CO -0.03 0.61 0.17 0.58 -0.69 0.00 0.00 178.15 178.79 2dub h VAL 237 N 0.43 1.25 -0.68 1.67 2.07 -0.12 -1.26 116.25 119.61 2dub h VAL 237 Ca -0.02 -0.93 -0.05 0.00 0.82 0.00 0.00 66.70 66.52 2dub h VAL 237 Cb 1.25 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 2dub h VAL 237 CO 0.13 0.36 0.22 0.00 0.02 0.00 0.00 177.57 178.30 2dub h ALA 238 N 1.17 1.11 -0.38 1.67 0.00 -0.71 -1.21 119.26 120.91 2dub h ALA 238 Ca 0.21 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2dub h ALA 238 Cb 0.34 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2dub h ALA 238 CO -0.00 0.62 -0.14 0.52 0.00 0.00 0.00 179.25 180.25 2dub h MET 239 N 1.00 0.77 -0.37 0.00 2.07 -1.00 -2.05 114.93 115.35 2dub h MET 239 Ca 0.22 -0.31 -0.02 0.00 -2.07 0.00 0.00 59.70 57.52 2dub h MET 239 Cb 0.26 -0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 29.95 2dub h MET 239 CO -0.01 0.93 0.15 0.00 1.07 0.00 0.00 176.91 179.05 2dub h ALA 240 N 0.82 0.48 -0.81 6.32 0.00 -0.99 -0.63 119.26 124.45 2dub h ALA 240 Ca 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2dub h ALA 240 Cb 0.67 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2dub h ALA 240 CO 0.05 0.07 0.44 -0.22 0.00 0.00 0.00 179.25 179.59 2dub h LYS 241 N 0.45 1.13 -0.42 0.00 3.64 -1.20 -0.59 116.57 119.57 2dub h LYS 241 Ca 0.12 -0.13 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 2dub h LYS 241 Cb 0.18 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 2dub h LYS 241 CO -0.01 0.83 -0.11 1.49 -2.27 0.00 0.00 179.45 179.38 2dub h GLU 242 N 1.13 0.75 -0.11 1.90 4.81 -1.01 -1.79 114.58 120.27 2dub h GLU 242 Ca 0.29 -0.25 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 2dub h GLU 242 Cb 0.03 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 2dub h GLU 242 CO -0.05 0.84 -0.00 1.03 -0.73 0.00 0.00 179.01 180.09 2dub h SER 243 N 0.68 0.20 -0.71 1.04 0.87 -0.18 -2.29 113.55 113.17 2dub h SER 243 Ca 0.12 -0.32 -0.00 0.00 -1.23 0.00 0.00 61.79 60.35 2dub h SER 243 Cb 0.58 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.45 2dub h SER 243 CO 0.04 0.47 0.43 0.58 -0.53 0.00 0.00 176.83 177.82 2dub h VAL 244 N -0.08 1.20 -0.27 2.23 2.07 -1.07 -2.00 116.25 118.33 2dub h VAL 244 Ca 0.03 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 2dub h VAL 244 Cb 0.37 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2dub h VAL 244 CO 0.01 0.21 0.10 0.78 0.02 0.00 0.00 177.57 178.68 2dub h ASN 245 N 0.97 0.34 0.23 0.57 2.35 -1.27 -1.77 115.58 116.99 2dub h ASN 245 Ca 0.25 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 2dub h ASN 245 Cb -0.03 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.25 2dub h ASN 245 CO -0.05 0.32 0.00 0.00 -1.65 0.00 0.00 177.43 176.05 2dub h ALA 246 N 1.73 1.00 0.00 -0.83 0.00 -0.75 -2.28 119.26 118.13 2dub h ALA 246 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2dub h ALA 246 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 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 2.03 1.00 -0.26 0.00 0.00 -1.32 -1.11 119.26 119.60 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 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 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 -2.42 0.34 -0.05 0.00 3.72 -0.86 -4.56 117.46 113.63 2dub n PHE 248 Ca -0.01 -0.30 0.00 0.00 -0.05 0.00 0.00 57.45 57.09 2dub n PHE 248 Cb 0.08 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 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 0.75 -0.49 -3.89 -1.08 -0.58 -0.43 -5.08 120.64 109.85 2dub n GLU 249 Ca 0.12 -0.45 -0.08 0.00 -0.42 0.00 0.00 57.16 56.33 2dub n GLU 249 Cb 0.41 -0.95 -0.02 0.00 -0.57 0.00 0.00 31.44 30.32 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 -0.06 1.77 0.84 3.49 0.23 -1.17 -5.09 119.30 119.31 2dub s MET 250 Ca 0.00 -1.08 -0.10 0.00 -1.03 0.00 0.00 55.69 53.48 2dub s MET 250 Cb 0.00 0.58 0.10 0.00 -1.53 0.00 0.00 34.83 33.98 2dub s MET 250 CO 0.00 -0.80 1.11 0.95 -2.03 0.00 0.00 175.02 174.25 2dub s THR 251 N -3.84 2.79 0.26 3.16 -4.23 -1.26 -4.71 115.64 107.81 2dub s THR 251 Ca 0.14 0.26 -0.03 0.00 -1.18 0.00 0.00 61.69 60.87 2dub s THR 251 Cb -0.05 -2.57 0.25 0.00 1.34 0.00 0.00 72.50 71.47 2dub s THR 251 CO 0.08 -0.34 1.85 0.25 -0.54 0.00 0.00 174.62 175.93 2dub h LEU 252 N -1.47 0.90 -0.10 4.79 5.85 -1.97 0.13 115.31 123.45 2dub h LEU 252 Ca -0.44 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.32 2dub h LEU 252 Cb 1.25 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.10 2dub h LEU 252 CO 0.48 0.55 -0.02 0.74 -0.34 0.00 0.00 178.44 179.86 2dub h THR 253 N 1.03 0.91 -0.05 1.05 2.02 -1.99 -0.15 112.91 115.72 2dub h THR 253 Ca 0.42 -0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.44 2dub h THR 253 Cb 0.24 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.54 2dub h THR 253 CO -0.20 0.00 -0.65 -0.33 0.37 0.00 0.00 175.52 174.71 2dub h GLU 254 N 0.01 0.21 -0.71 6.66 4.39 -1.81 -2.49 114.58 120.83 2dub h GLU 254 Ca 0.05 -0.15 -0.04 0.00 0.34 0.00 0.00 59.36 59.55 2dub h GLU 254 Cb 0.07 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 2dub h GLU 254 CO -0.10 0.79 0.28 0.78 -1.16 0.00 0.00 179.01 179.60 2dub h GLY 255 N 1.58 1.14 1.53 -3.84 0.00 -0.42 -0.01 103.07 103.05 2dub h GLY 255 Ca -0.01 -0.62 -0.10 0.00 0.00 0.00 0.00 47.33 46.59 2dub h GLY 255 CO 0.10 0.59 -0.25 3.43 0.00 0.00 0.00 176.54 180.41 2dub h ASN 256 N 1.02 0.55 -0.35 0.19 2.35 -0.92 -0.86 115.58 117.55 2dub h ASN 256 Ca 0.24 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.72 2dub h ASN 256 Cb 0.21 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 2dub h ASN 256 CO -0.02 0.79 -0.08 0.11 -1.65 0.00 0.00 177.43 176.58 2dub h LYS 257 N 0.48 0.67 -0.36 0.81 1.57 -0.95 -1.05 116.57 117.74 2dub h LYS 257 Ca 0.07 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 2dub h LYS 257 Cb 0.69 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 2dub h LYS 257 CO 0.05 0.83 0.15 1.25 -0.57 0.00 0.00 179.45 181.16 2dub h LEU 258 N 0.46 0.50 -1.05 2.94 5.85 -0.84 -1.78 115.31 121.38 2dub h LEU 258 Ca 0.09 -0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.71 2dub h LEU 258 Cb 0.58 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 2dub h LEU 258 CO 0.03 0.52 0.63 -0.08 -0.34 0.00 0.00 178.44 179.21 2dub h GLU 259 N 0.44 1.11 -0.26 1.25 4.81 -1.04 -0.96 114.58 119.92 2dub h GLU 259 Ca 0.12 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2dub h GLU 259 Cb 0.18 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 2dub h GLU 259 CO -0.01 0.73 0.12 -0.22 -0.73 0.00 0.00 179.01 178.90 2dub h LYS 260 N 1.14 0.37 -0.98 1.92 1.63 -0.73 0.16 116.57 120.08 2dub h LYS 260 Ca 0.42 -0.06 0.02 0.00 -0.85 0.00 0.00 60.65 60.18 2dub h LYS 260 Cb 0.17 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.68 2dub h LYS 260 CO -0.16 0.38 0.65 0.87 -3.45 0.00 0.00 179.45 177.74 2dub h LYS 261 N 0.27 1.27 -0.28 1.90 1.79 -0.51 0.19 116.57 121.20 2dub h LYS 261 Ca 0.09 -0.08 -0.14 0.00 -2.18 0.00 0.00 60.65 58.34 2dub h LYS 261 Cb 0.14 -0.29 -0.01 0.00 -1.58 0.00 0.00 32.23 30.49 2dub h LYS 261 CO -0.01 0.84 -0.41 -0.07 -1.08 0.00 0.00 179.45 178.72 2dub h LEU 262 N 1.30 0.73 -0.67 2.94 3.38 -0.94 -1.84 115.31 120.22 2dub h LEU 262 Ca 0.37 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2dub h LEU 262 Cb -0.12 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.40 2dub h LEU 262 CO -0.09 1.05 0.33 0.15 0.09 0.00 0.00 178.44 179.97 2dub h PHE 263 N 0.56 0.96 -0.57 1.13 3.57 0.15 -2.21 116.94 120.53 2dub h PHE 263 Ca 0.04 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 2dub h PHE 263 Cb 0.95 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 2dub h PHE 263 CO 0.05 0.71 0.06 1.88 -2.23 0.00 0.00 178.31 178.78 2dub h TYR 264 N 0.92 1.00 -0.99 0.41 0.05 -0.83 -2.95 116.97 114.58 2dub h TYR 264 Ca 0.23 -0.14 0.04 0.00 0.05 0.00 0.00 58.73 58.92 2dub h TYR 264 Cb 0.11 -0.28 -0.06 0.00 1.01 0.00 0.00 36.73 37.52 2dub h TYR 264 CO 0.00 0.87 0.65 0.77 -1.05 0.00 0.00 178.16 179.40 2dub h SER 265 N 0.88 1.07 -0.22 3.88 0.02 -0.75 -1.50 113.55 116.93 2dub h SER 265 Ca 0.17 -0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.18 2dub h SER 265 Cb 0.44 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2dub h SER 265 CO 0.02 0.72 0.27 0.71 -1.14 0.00 0.00 176.83 177.41 2dub h THR 266 N 1.23 0.38 0.00 -2.27 1.35 -1.25 0.28 112.91 112.64 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 0.04 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 67.24 2dub h THR 266 CO -0.13 0.00 0.00 0.49 -0.25 0.00 0.00 175.52 175.63 2dub n PHE 267 N -3.67 0.00 0.95 4.73 3.01 -0.56 -1.91 117.46 120.01 2dub n PHE 267 Ca 0.03 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.59 2dub n PHE 267 Cb 0.40 -0.49 0.31 0.00 -0.01 0.00 0.00 39.48 39.69 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 -1.49 2.49 -2.68 4.37 0.00 0.99 -4.91 120.51 119.28 2dub n ALA 268 Ca 0.05 -0.66 -0.25 0.00 0.00 0.00 0.00 53.44 52.58 2dub n ALA 268 Cb 0.23 -1.02 -0.07 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.69 3.76 0.17 0.00 -4.23 -0.80 -5.03 115.64 107.82 2dub s THR 269 Ca 0.33 -1.51 0.01 0.00 -1.18 0.00 0.00 61.69 59.34 2dub s THR 269 Cb 0.19 -2.93 -0.12 0.00 1.34 0.00 0.00 72.50 70.97 2dub s THR 269 CO 0.27 -0.19 1.41 0.44 -0.54 0.00 0.00 174.62 176.02 2dub h ASP 270 N 2.41 0.37 -0.02 3.99 3.32 -1.49 -3.22 116.42 121.78 2dub h ASP 270 Ca -0.47 -0.26 -0.05 0.00 0.02 0.00 0.00 57.03 56.27 2dub h ASP 270 Cb 1.22 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 2dub h ASP 270 CO 0.59 1.02 -0.10 0.44 -1.72 0.00 0.00 179.24 179.47 2dub h ASP 271 N 0.19 0.26 -0.16 6.45 3.32 -1.18 0.16 116.42 125.46 2dub h ASP 271 Ca -0.04 -0.05 -0.20 0.00 0.02 0.00 0.00 57.03 56.76 2dub h ASP 271 Cb 1.39 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 40.88 2dub h ASP 271 CO 0.13 0.39 -0.69 -0.09 -1.72 0.00 0.00 179.24 177.27 2dub h ARG 272 N 0.26 0.75 -0.28 3.56 1.12 -1.74 0.27 114.38 118.32 2dub h ARG 272 Ca 0.06 -0.59 -0.01 0.00 -1.11 0.00 0.00 59.98 58.32 2dub h ARG 272 Cb 0.35 0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 30.41 2dub h ARG 272 CO 0.02 1.20 0.12 -0.09 -3.11 0.00 0.00 179.97 178.12 2dub h ARG 273 N 0.47 0.40 -0.35 0.20 9.65 -1.46 -1.79 114.38 121.50 2dub h ARG 273 Ca -0.04 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.76 2dub h ARG 273 Cb 1.32 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.81 2dub h ARG 273 CO 0.14 0.41 0.17 1.49 2.80 0.00 0.00 179.97 184.98 2dub h GLU 274 N 0.31 0.50 -0.66 0.20 4.57 -0.61 -1.24 114.58 117.65 2dub h GLU 274 Ca 0.09 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2dub h GLU 274 Cb 0.14 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 2dub h GLU 274 CO -0.01 0.45 0.39 0.78 -1.18 0.00 0.00 179.01 179.44 2dub h GLY 275 N 0.43 0.96 1.54 1.92 0.00 -0.31 0.15 103.07 107.76 2dub h GLY 275 Ca 0.12 -0.40 -0.22 0.00 0.00 0.00 0.00 47.33 46.83 2dub h GLY 275 CO -0.02 0.39 -0.91 -0.33 0.00 0.00 0.00 176.54 175.68 2dub h MET 276 N 0.90 0.42 -0.40 4.80 2.86 -1.27 -2.71 114.93 119.53 2dub h MET 276 Ca 0.24 -0.43 -0.10 0.00 -2.06 0.00 0.00 59.70 57.34 2dub h MET 276 Cb -0.02 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 2dub h MET 276 CO -0.04 1.09 -0.14 0.77 1.06 0.00 0.00 176.91 179.64 2dub h SER 277 N 0.25 0.82 -0.93 1.22 0.02 -1.07 -1.40 113.55 112.45 2dub h SER 277 Ca -0.07 -0.38 0.06 0.00 -0.84 0.00 0.00 61.79 60.55 2dub h SER 277 Cb 1.54 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 63.79 2dub h SER 277 CO 0.16 1.02 0.61 0.00 -1.14 0.00 0.00 176.83 177.47 2dub h ALA 278 N 0.83 1.46 0.40 3.77 0.00 -0.72 0.40 119.26 125.40 2dub h ALA 278 Ca 0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 2dub h ALA 278 Cb 0.69 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2dub h ALA 278 CO 0.05 0.42 -0.19 0.35 0.00 0.00 0.00 179.25 179.87 2dub h PHE 279 N 1.10 -0.50 -0.81 0.00 3.57 -1.13 -0.29 116.94 118.87 2dub h PHE 279 Ca 0.39 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.92 2dub h PHE 279 Cb 0.13 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 38.99 2dub h PHE 279 CO -0.00 -0.21 0.53 0.28 -2.23 0.00 0.00 178.31 176.68 2dub h VAL 280 N -0.75 1.10 -0.31 1.41 2.07 -0.81 -1.92 116.25 117.04 2dub h VAL 280 Ca -0.06 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.13 2dub h VAL 280 Cb 0.52 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.34 2dub h VAL 280 CO 0.09 0.18 0.00 -0.62 0.02 0.00 0.00 177.57 177.24 2dub n GLU 281 N -4.46 2.45 -4.09 1.57 1.02 0.14 -4.94 120.64 112.33 2dub n GLU 281 Ca 0.11 -1.42 -0.28 0.00 -0.02 0.00 0.00 57.16 55.55 2dub n GLU 281 Cb 0.14 -1.63 -0.05 0.00 -0.02 0.00 0.00 31.44 29.89 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 0.40 -2.56 -4.13 3.49 5.02 -0.51 -4.97 118.16 114.90 2dub n LYS 282 Ca 0.13 0.31 -0.09 0.00 -2.02 0.00 0.00 58.31 56.64 2dub n LYS 282 Cb 0.54 -4.31 -0.10 0.00 -0.02 0.00 0.00 35.03 31.14 2dub n LYS 282 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2dub s ARG 283 N -6.84 0.80 0.28 1.97 1.70 -0.24 -5.05 118.95 111.58 2dub s ARG 283 Ca 0.08 -1.35 -0.29 0.00 -0.47 0.00 0.00 55.73 53.70 2dub s ARG 283 Cb -0.04 0.22 -0.10 0.00 -0.57 0.00 0.00 34.95 34.46 2dub s ARG 283 CO 0.93 -0.20 1.28 0.21 -1.08 0.00 0.00 175.30 176.44 2dub s LYS 284 N -3.99 4.41 0.20 3.89 2.20 -1.26 -4.35 119.74 120.83 2dub s LYS 284 Ca 0.17 2.10 -0.22 0.00 -0.36 0.00 0.00 55.97 57.66 2dub s LYS 284 Cb 0.08 -3.13 -0.08 0.00 -1.51 0.00 0.00 37.83 33.19 2dub s LYS 284 CO -0.03 -0.14 0.74 0.00 -0.36 0.00 0.00 175.35 175.55 2dub s ALA 285 N -0.73 3.43 -0.36 3.13 0.00 -1.26 -4.93 121.76 121.03 2dub s ALA 285 Ca 0.51 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.70 2dub s ALA 285 Cb -0.38 -2.87 0.10 0.00 0.00 0.00 0.00 23.12 19.98 2dub s ALA 285 CO 0.46 0.32 0.11 1.21 0.00 0.00 0.00 175.76 177.86 2dub s ASN 286 N -1.45 4.99 0.24 0.00 3.04 -1.26 -5.07 114.94 115.43 2dub s ASN 286 Ca 0.40 -1.98 -0.18 0.00 0.04 0.00 0.00 52.86 51.14 2dub s ASN 286 Cb -0.19 -1.73 -0.08 0.00 -1.54 0.00 0.00 41.25 37.71 2dub s ASN 286 CO 0.23 -0.44 0.71 -0.36 -3.04 0.00 0.00 177.10 174.20 2dub s PHE 287 N 1.05 3.58 -0.23 0.43 0.08 -1.26 -4.96 117.98 116.68 2dub s PHE 287 Ca 0.07 1.33 0.03 0.00 0.12 0.00 0.00 56.93 58.47 2dub s PHE 287 Cb -0.21 -2.58 0.07 0.00 -0.57 0.00 0.00 43.02 39.73 2dub s PHE 287 CO -0.05 0.29 1.03 1.63 -0.10 0.00 0.00 175.22 178.02 2dub n LYS 288 N 0.49 2.74 -3.69 0.44 4.76 -1.26 -4.98 118.16 116.66 2dub n LYS 288 Ca -0.01 -1.57 -0.24 0.00 -2.87 0.00 0.00 58.31 53.61 2dub n LYS 288 Cb 0.52 -1.06 0.06 0.00 -1.84 0.00 0.00 35.03 32.70 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 -0.23 -4.41 0.00 4.39 8.00 -1.26 -5.02 116.55 118.02 2dub n ASP 289 Ca 0.03 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.86 2dub n ASP 289 Cb 0.28 -4.54 0.00 0.00 -0.02 0.00 0.00 41.12 36.83 2dub n ASP 289 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38