#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d0i s ARG 2 N 0.00 4.39 0.74 0.54 0.52 -1.26 -5.07 118.95 118.81 1d0i s ARG 2 Ca 0.00 0.75 -0.08 0.00 -0.52 0.00 0.00 55.73 55.87 1d0i s ARG 2 Cb 0.00 -3.46 0.07 0.00 0.52 0.00 0.00 34.95 32.08 1d0i s ARG 2 CO 0.00 0.06 1.07 -1.54 0.02 0.00 0.00 175.30 174.91 1d0i s SER 3 N 0.79 4.71 0.21 0.23 1.04 -1.26 -4.54 113.70 114.87 1d0i s SER 3 Ca 0.34 0.56 -0.10 0.00 0.48 0.00 0.00 55.95 57.24 1d0i s SER 3 Cb -0.17 -1.16 0.16 0.00 0.10 0.00 0.00 66.02 64.95 1d0i s SER 3 CO 0.15 -1.71 1.85 -0.07 0.98 0.00 0.00 173.24 174.45 1d0i h LEU 4 N -0.76 0.93 -1.12 2.42 4.07 -1.85 -0.23 115.31 118.78 1d0i h LEU 4 Ca -0.45 -0.07 -0.04 0.00 0.08 0.00 0.00 57.88 57.40 1d0i h LEU 4 Cb 1.32 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 42.80 1d0i h LEU 4 CO 0.62 0.73 0.18 0.00 -1.08 0.00 0.00 178.44 178.89 1d0i h ALA 5 N 1.25 1.30 0.00 1.53 0.00 -1.87 -3.15 119.26 118.32 1d0i h ALA 5 Ca 0.28 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1d0i h ALA 5 Cb -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.54 1d0i h ALA 5 CO -0.05 0.51 -0.97 -0.91 0.00 0.00 0.00 179.25 177.83 1d0i h ASN 6 N 0.78 0.00 -5.01 0.00 -0.26 -1.76 -3.48 115.58 105.85 1d0i h ASN 6 Ca 0.18 -0.02 -0.09 0.00 -0.56 0.00 0.00 56.30 55.81 1d0i h ASN 6 Cb 0.22 0.00 -0.18 0.00 -1.06 0.00 0.00 38.32 37.29 1d0i h ASN 6 CO -0.01 0.01 -0.10 0.00 -1.06 0.00 0.00 177.43 176.27 1d0i s ALA 7 N -3.35 -1.09 0.66 -0.83 0.00 -0.16 -4.95 121.76 112.04 1d0i s ALA 7 Ca 0.00 0.54 -0.13 0.00 0.00 0.00 0.00 51.96 52.37 1d0i s ALA 7 Cb 0.10 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.38 1d0i s ALA 7 CO 0.78 -0.36 1.06 -1.25 0.00 0.00 0.00 175.76 176.00 1d0i s PRO 8 N -1.75 3.03 -0.07 0.00 0.04 -1.26 -4.27 135.00 130.71 1d0i s PRO 8 Ca -0.10 1.11 -0.26 0.00 0.04 0.00 0.00 61.00 61.79 1d0i s PRO 8 Cb -0.02 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 1d0i s PRO 8 CO 0.03 -1.04 0.81 0.42 0.04 0.00 0.00 177.00 177.26 1d0i s ILE 9 N -2.73 4.96 0.03 0.56 1.01 0.34 -2.14 121.20 123.23 1d0i s ILE 9 Ca 0.61 1.67 -0.29 0.00 0.00 0.00 0.00 60.65 62.64 1d0i s ILE 9 Cb -0.16 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 1d0i s ILE 9 CO 0.46 0.17 0.93 -0.32 0.00 0.00 0.00 174.94 176.18 1d0i s MET 10 N 1.19 4.58 -0.37 2.79 -2.45 -0.62 -0.49 119.30 123.94 1d0i s MET 10 Ca 0.42 1.34 -0.03 0.00 -1.25 0.00 0.00 55.69 56.17 1d0i s MET 10 Cb -0.18 -3.43 0.08 0.00 1.25 0.00 0.00 34.83 32.55 1d0i s MET 10 CO 0.19 0.06 0.13 0.42 1.05 0.00 0.00 175.02 176.88 1d0i s ILE 11 N 0.63 3.25 -0.15 10.11 -1.09 0.47 -1.37 121.20 133.05 1d0i s ILE 11 Ca 0.48 -1.75 -0.09 0.00 -2.23 0.00 0.00 60.65 57.06 1d0i s ILE 11 Cb -0.21 -3.08 -0.05 0.00 -1.58 0.00 0.00 42.46 37.54 1d0i s ILE 11 CO 0.27 -0.46 0.16 -0.76 -1.23 0.00 0.00 174.94 172.92 1d0i s LEU 12 N 1.20 4.31 -0.08 2.97 1.43 0.86 -1.09 118.68 128.28 1d0i s LEU 12 Ca 0.03 0.39 0.03 0.00 -1.03 0.00 0.00 54.13 53.55 1d0i s LEU 12 Cb -0.21 -2.12 0.01 0.00 0.03 0.00 0.00 46.19 43.90 1d0i s LEU 12 CO -0.02 0.29 -0.17 0.20 0.23 0.00 0.00 176.35 176.88 1d0i s ASN 13 N -0.37 2.32 1.01 2.29 0.01 0.25 -0.98 114.94 119.47 1d0i s ASN 13 Ca 0.13 -0.41 -0.02 0.00 -0.71 0.00 0.00 52.86 51.84 1d0i s ASN 13 Cb -0.12 -1.06 0.03 0.00 0.41 0.00 0.00 41.25 40.51 1d0i s ASN 13 CO 0.02 0.07 0.17 0.61 -1.51 0.00 0.00 177.10 176.46 1d0i n GLY 14 N 3.77 -1.67 3.68 0.66 0.00 -0.02 -0.99 105.19 110.62 1d0i n GLY 14 Ca -0.21 -1.59 -0.38 0.00 0.00 0.00 0.00 46.02 43.83 1d0i n GLY 14 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1d0i n PRO 15 N -1.59 1.32 -0.33 1.61 -0.04 -1.06 -3.17 135.00 131.74 1d0i n PRO 15 Ca 0.02 0.49 0.00 0.00 -0.04 0.00 0.00 63.50 63.98 1d0i n PRO 15 Cb 0.08 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 1d0i n PRO 15 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1d0i n ASN 16 N -0.87 0.00 0.16 3.54 3.02 -1.26 -4.56 115.26 115.29 1d0i n ASN 16 Ca 0.12 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.80 1d0i n ASN 16 Cb 0.45 -1.38 0.45 0.00 -0.61 0.00 0.00 39.78 38.69 1d0i n ASN 16 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1d0i h LEU 17 N 0.00 0.00 -1.85 3.41 3.38 -1.91 -2.22 115.31 116.12 1d0i h LEU 17 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1d0i h LEU 17 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1d0i h LEU 17 CO 0.00 0.00 0.14 -0.55 0.09 0.00 0.00 178.44 178.12 1d0i h ASN 18 N 0.00 0.17 -0.07 -0.43 -1.07 -1.87 -2.05 115.58 110.26 1d0i h ASN 18 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1d0i h ASN 18 Cb 0.61 -0.04 0.00 0.00 -2.07 0.00 0.00 38.32 36.82 1d0i h ASN 18 CO 0.00 0.12 0.00 0.18 0.07 0.00 0.00 177.43 177.80 1d0i n LEU 19 N -4.50 0.41 -4.68 6.14 4.77 -0.83 -4.74 117.00 113.56 1d0i n LEU 19 Ca 0.01 -0.19 -0.44 0.00 -0.03 0.00 0.00 56.01 55.35 1d0i n LEU 19 Cb 0.14 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1d0i n LEU 19 CO 0.35 0.10 1.04 -0.11 -1.33 0.00 0.00 177.39 177.43 1d0i n LEU 20 N -0.34 3.22 0.00 2.23 7.94 -0.77 -1.16 117.00 128.12 1d0i n LEU 20 Ca 0.06 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.10 1d0i n LEU 20 Cb 0.08 -1.44 0.00 0.00 0.53 0.00 0.00 43.42 42.59 1d0i n LEU 20 CO 0.04 -0.43 0.00 0.61 -1.11 0.00 0.00 177.39 176.50 1d0i n GLY 21 N 2.17 3.18 0.12 -3.96 0.00 -1.02 -4.14 105.19 101.54 1d0i n GLY 21 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.17 1d0i n GLY 21 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1d0i h GLN 22 N 1.54 0.00 -5.72 1.61 4.20 -1.44 -3.45 115.11 111.86 1d0i h GLN 22 Ca 0.00 0.00 -0.48 0.00 0.06 0.00 0.00 58.65 58.23 1d0i h GLN 22 Cb 0.00 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 27.61 1d0i h GLN 22 CO 0.00 0.27 -0.77 -0.98 -0.67 0.00 0.00 178.83 176.69 1d0i s ARG 23 N -3.04 1.20 -0.08 1.46 1.04 -1.25 -4.95 118.95 113.32 1d0i s ARG 23 Ca 0.01 -1.38 -0.06 0.00 -1.04 0.00 0.00 55.73 53.26 1d0i s ARG 23 Cb 0.08 -1.16 0.01 0.00 -2.04 0.00 0.00 34.95 31.84 1d0i s ARG 23 CO 0.78 0.23 0.11 0.00 -0.04 0.00 0.00 175.30 176.37 1d0i n GLN 24 N 0.28 -0.32 0.25 3.89 10.64 -1.26 -4.61 117.38 126.25 1d0i n GLN 24 Ca -0.13 0.23 0.12 0.00 -1.83 0.00 0.00 57.00 55.39 1d0i n GLN 24 Cb 0.57 -0.34 0.58 0.00 -0.86 0.00 0.00 30.24 30.20 1d0i n GLN 24 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.06 174.23 1d0i h PRO 25 N 0.39 0.00 -0.45 2.61 0.13 -1.93 -0.31 132.00 132.45 1d0i h PRO 25 Ca -0.10 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.94 1d0i h PRO 25 Cb 0.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.35 1d0i h PRO 25 CO 0.04 0.15 -0.08 0.93 -0.23 0.00 0.00 178.00 178.81 1d0i h GLU 26 N 0.00 0.79 0.00 0.86 3.07 -1.87 0.33 114.58 117.76 1d0i h GLU 26 Ca -0.00 -0.25 -0.06 0.00 -0.50 0.00 0.00 59.36 58.55 1d0i h GLU 26 Cb 0.59 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 1d0i h GLU 26 CO 0.02 0.85 -0.46 0.82 -1.40 0.00 0.00 179.01 178.84 1d0i h ILE 27 N 0.72 0.70 -0.00 3.13 2.04 -1.87 -3.42 117.51 118.81 1d0i h ILE 27 Ca 0.13 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 64.33 1d0i h ILE 27 Cb 0.56 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 1d0i h ILE 27 CO 0.03 0.24 -0.85 -1.22 0.00 0.00 0.00 178.15 176.35 1d0i n TYR 28 N -4.60 0.00 -1.02 1.37 4.01 -0.14 -4.49 117.16 112.29 1d0i n TYR 28 Ca -0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.61 1d0i n TYR 28 Cb 0.37 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.37 1d0i n TYR 28 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1d0i n GLY 29 N 1.48 -2.47 0.11 2.72 0.00 0.12 -4.72 105.19 102.43 1d0i n GLY 29 Ca 0.05 -1.84 0.01 0.00 0.00 0.00 0.00 46.02 44.25 1d0i n GLY 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1d0i n SER 30 N 0.11 1.38 -4.85 1.61 3.41 -1.26 -4.33 113.62 109.68 1d0i n SER 30 Ca 0.00 -1.25 -0.31 0.00 -0.26 0.00 0.00 58.87 57.04 1d0i n SER 30 Cb 0.00 -0.01 0.01 0.00 -0.26 0.00 0.00 64.21 63.95 1d0i n SER 30 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1d0i s ASP 31 N -0.34 6.13 0.56 4.04 1.01 -1.26 -4.72 116.67 122.09 1d0i s ASP 31 Ca 0.03 1.54 0.07 0.00 0.71 0.00 0.00 52.55 54.90 1d0i s ASP 31 Cb 0.02 -2.49 0.06 0.00 1.01 0.00 0.00 42.92 41.52 1d0i s ASP 31 CO 0.03 -0.93 0.56 0.42 0.21 0.00 0.00 175.17 175.46 1d0i s THR 32 N -2.93 1.83 0.31 -1.27 -4.23 -1.26 -2.45 115.64 105.65 1d0i s THR 32 Ca 0.58 -1.30 0.04 0.00 -1.18 0.00 0.00 61.69 59.83 1d0i s THR 32 Cb -0.12 -2.13 0.11 0.00 1.34 0.00 0.00 72.50 71.70 1d0i s THR 32 CO 0.46 0.00 1.79 0.25 -0.54 0.00 0.00 174.62 176.59 1d0i h LEU 33 N 0.52 0.44 -1.08 4.79 5.85 -1.82 -0.50 115.31 123.52 1d0i h LEU 33 Ca -0.34 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.20 1d0i h LEU 33 Cb 1.30 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.19 1d0i h LEU 33 CO 0.51 0.62 0.00 0.00 -0.34 0.00 0.00 178.44 179.24 1d0i h ALA 34 N 1.42 1.24 -0.56 1.25 0.00 -1.95 0.36 119.26 121.03 1d0i h ALA 34 Ca 0.07 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1d0i h ALA 34 Cb 0.53 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1d0i h ALA 34 CO 0.03 0.50 0.08 -0.44 0.00 0.00 0.00 179.25 179.43 1d0i h ASP 35 N 0.62 0.87 -0.53 0.00 3.32 -1.52 -1.30 116.42 117.88 1d0i h ASP 35 Ca 0.13 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 56.94 1d0i h ASP 35 Cb 0.38 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1d0i h ASP 35 CO 0.01 0.88 0.14 0.58 -1.72 0.00 0.00 179.24 179.14 1d0i h VAL 36 N 0.86 1.24 -0.50 -1.35 2.07 -0.02 -1.68 116.25 116.87 1d0i h VAL 36 Ca 0.18 -0.84 0.06 0.00 0.82 0.00 0.00 66.70 66.91 1d0i h VAL 36 Cb 0.40 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 1d0i h VAL 36 CO 0.01 0.31 0.21 -0.08 0.02 0.00 0.00 177.57 178.04 1d0i h GLU 37 N 0.75 0.40 -0.66 1.57 4.81 -0.55 -0.33 114.58 120.56 1d0i h GLU 37 Ca 0.17 -0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.43 1d0i h GLU 37 Cb 0.32 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.56 1d0i h GLU 37 CO -0.00 0.26 0.38 0.00 -0.73 0.00 0.00 179.01 178.92 1d0i h ALA 38 N 1.30 0.88 -0.64 2.92 0.00 -0.94 0.10 119.26 122.89 1d0i h ALA 38 Ca 0.23 0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.22 1d0i h ALA 38 Cb 0.20 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 1d0i h ALA 38 CO -0.20 0.07 0.31 -0.07 0.00 0.00 0.00 179.25 179.36 1d0i h LEU 39 N 0.70 0.42 -0.28 0.00 3.38 -0.60 -1.69 115.31 117.24 1d0i h LEU 39 Ca 0.29 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.24 1d0i h LEU 39 Cb 0.15 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1d0i h LEU 39 CO -0.16 0.26 -0.10 0.00 0.09 0.00 0.00 178.44 178.53 1d0i h VAL 41 N 0.31 0.78 -0.52 0.00 2.07 -0.68 0.29 116.25 118.50 1d0i h VAL 41 Ca 0.07 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1d0i h VAL 41 Cb 0.60 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1d0i h VAL 41 CO 0.03 0.03 0.34 0.50 0.02 0.00 0.00 177.57 178.49 1d0i h LYS 42 N 0.15 0.68 -0.57 1.57 3.64 -1.29 0.38 116.57 121.13 1d0i h LYS 42 Ca 0.17 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.41 1d0i h LYS 42 Cb 0.21 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1d0i h LYS 42 CO -0.25 0.46 -0.01 0.00 -2.27 0.00 0.00 179.45 177.37 1d0i h ALA 43 N 1.18 0.89 -0.52 5.00 0.00 -0.55 -2.93 119.26 122.34 1d0i h ALA 43 Ca 0.19 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 1d0i h ALA 43 Cb -0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1d0i h ALA 43 CO -0.04 0.65 -0.05 0.00 0.00 0.00 0.00 179.25 179.81 1d0i h ALA 44 N 1.05 0.71 -0.59 0.00 0.00 -0.02 -3.13 119.26 117.29 1d0i h ALA 44 Ca 0.16 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.83 1d0i h ALA 44 Cb 0.55 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1d0i h ALA 44 CO 0.03 0.57 0.39 0.00 0.00 0.00 0.00 179.25 180.24 1d0i h ALA 45 N 0.93 1.89 0.00 0.00 0.00 -0.07 0.03 119.26 122.03 1d0i h ALA 45 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1d0i h ALA 45 Cb 0.60 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1d0i h ALA 45 CO 0.04 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.29 1d0i h ALA 46 N 1.69 1.00 -0.30 0.00 0.00 -1.46 0.54 119.26 120.73 1d0i h ALA 46 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1d0i h ALA 46 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1d0i h ALA 46 CO -0.08 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.89 1d0i n HIS 47 N -2.92 0.39 -1.98 0.00 8.25 -0.53 -4.98 115.22 113.44 1d0i n HIS 47 Ca -0.02 -0.38 -0.07 0.00 -0.26 0.00 0.00 57.72 56.99 1d0i n HIS 47 Cb 0.11 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.20 1d0i n HIS 47 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1d0i n GLY 48 N 0.65 0.22 2.54 -1.41 0.00 0.19 -4.79 105.19 102.60 1d0i n GLY 48 Ca 0.12 -0.61 -0.20 0.00 0.00 0.00 0.00 46.02 45.33 1d0i n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d0i n GLY 49 N -1.20 3.34 3.22 -0.02 0.00 -0.12 -4.33 105.19 106.09 1d0i n GLY 49 Ca -0.08 -2.29 -0.13 0.00 0.00 0.00 0.00 46.02 43.51 1d0i n GLY 49 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1d0i s THR 50 N -2.07 0.17 0.10 2.61 -4.23 -1.26 -3.31 115.64 107.65 1d0i s THR 50 Ca 0.10 -1.99 0.06 0.00 -1.18 0.00 0.00 61.69 58.68 1d0i s THR 50 Cb -0.01 -2.47 -0.03 0.00 1.34 0.00 0.00 72.50 71.33 1d0i s THR 50 CO 0.06 -0.07 -0.16 0.68 -0.54 0.00 0.00 174.62 174.59 1d0i s VAL 51 N -4.03 1.38 -0.34 2.29 -7.23 -1.26 -0.50 120.40 110.71 1d0i s VAL 51 Ca 0.36 -1.55 0.03 0.00 -1.81 0.00 0.00 61.98 59.01 1d0i s VAL 51 Cb 0.07 -1.40 0.10 0.00 0.56 0.00 0.00 36.38 35.71 1d0i s VAL 51 CO 0.11 -0.26 0.08 -0.62 -0.31 0.00 0.00 175.10 174.10 1d0i s ASP 52 N -2.09 4.49 -0.26 4.85 -1.08 0.36 -4.85 116.67 118.08 1d0i s ASP 52 Ca 0.05 -2.07 -0.09 0.00 -0.52 0.00 0.00 52.55 49.92 1d0i s ASP 52 Cb -0.08 -1.38 -0.04 0.00 -1.46 0.00 0.00 42.92 39.96 1d0i s ASP 52 CO 0.03 -0.38 0.12 0.12 0.52 0.00 0.00 175.17 175.58 1d0i s PHE 53 N 1.03 3.14 0.08 -5.34 2.19 -1.26 -0.40 117.98 117.43 1d0i s PHE 53 Ca 0.11 -0.20 0.02 0.00 0.33 0.00 0.00 56.93 57.20 1d0i s PHE 53 Cb -0.19 -2.29 -0.04 0.00 -1.31 0.00 0.00 43.02 39.19 1d0i s PHE 53 CO -0.12 -0.27 -0.07 1.03 1.83 0.00 0.00 175.22 177.61 1d0i s ARG 54 N 1.66 0.75 -0.01 10.12 0.52 -0.25 -4.98 118.95 126.76 1d0i s ARG 54 Ca 0.07 -1.15 0.00 0.00 -0.52 0.00 0.00 55.73 54.13 1d0i s ARG 54 Cb -0.15 -0.28 0.00 0.00 0.52 0.00 0.00 34.95 35.04 1d0i s ARG 54 CO 0.07 0.02 -0.01 -1.14 0.02 0.00 0.00 175.30 174.25 1d0i s GLN 55 N -3.04 0.11 -0.02 3.54 -0.44 -1.26 -0.58 119.66 117.96 1d0i s GLN 55 Ca 0.05 -0.01 -0.10 0.00 -2.50 0.00 0.00 55.36 52.79 1d0i s GLN 55 Cb -0.00 -0.15 0.01 0.00 -1.64 0.00 0.00 33.01 31.23 1d0i s GLN 55 CO -0.03 -0.00 0.22 0.45 0.50 0.00 0.00 175.29 176.42 1d0i s SER 56 N 0.17 -0.10 0.00 6.67 0.15 -0.16 -4.98 113.70 115.44 1d0i s SER 56 Ca -0.01 0.02 0.26 0.00 0.70 0.00 0.00 55.95 56.92 1d0i s SER 56 Cb -0.03 0.30 0.73 0.00 -1.71 0.00 0.00 66.02 65.31 1d0i s SER 56 CO -0.00 -0.34 1.55 0.59 1.20 0.00 0.00 173.24 176.23 1d0i n ASN 57 N 1.67 1.40 -4.51 5.45 3.02 -1.26 -2.56 115.26 118.48 1d0i n ASN 57 Ca -0.20 -1.21 -0.38 0.00 -0.03 0.00 0.00 54.58 52.75 1d0i n ASN 57 Cb 0.56 0.12 -0.12 0.00 -0.61 0.00 0.00 39.78 39.74 1d0i n ASN 57 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1d0i s HIS 58 N -2.31 3.17 0.22 3.10 3.76 -1.26 -4.70 115.29 117.27 1d0i s HIS 58 Ca 0.28 -0.22 -0.08 0.00 -0.15 0.00 0.00 55.06 54.89 1d0i s HIS 58 Cb 0.20 -2.34 0.29 0.00 1.11 0.00 0.00 32.58 31.84 1d0i s HIS 58 CO 0.45 -0.30 1.81 1.49 -0.85 0.00 0.00 174.74 177.34 1d0i h GLU 59 N 8.34 0.72 0.00 1.40 4.81 -2.00 -2.39 114.58 125.46 1d0i h GLU 59 Ca -0.35 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 58.75 1d0i h GLU 59 Cb 1.17 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 1d0i h GLU 59 CO 0.58 0.48 -0.40 0.78 -0.73 0.00 0.00 179.01 179.72 1d0i h GLY 60 N 0.74 0.00 1.10 1.92 0.00 -1.99 -0.71 103.07 104.14 1d0i h GLY 60 Ca 0.33 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.50 1d0i h GLY 60 CO -0.20 0.00 -0.40 -2.09 0.00 0.00 0.00 176.54 173.85 1d0i h GLU 61 N 0.00 0.88 -0.29 4.80 4.81 -1.88 0.13 114.58 123.04 1d0i h GLU 61 Ca -0.00 -0.49 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 1d0i h GLU 61 Cb 0.78 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 1d0i h GLU 61 CO 0.05 1.13 0.16 -0.07 -0.73 0.00 0.00 179.01 179.55 1d0i h LEU 62 N 0.68 0.36 -0.20 1.64 3.38 -1.01 -0.91 115.31 119.24 1d0i h LEU 62 Ca 0.05 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1d0i h LEU 62 Cb 1.00 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 1d0i h LEU 62 CO 0.10 0.34 -0.03 0.58 0.09 0.00 0.00 178.44 179.52 1d0i h VAL 63 N 0.35 0.83 -0.80 1.22 2.07 -0.92 -1.29 116.25 117.72 1d0i h VAL 63 Ca 0.10 -0.01 0.16 0.00 0.82 0.00 0.00 66.70 67.77 1d0i h VAL 63 Cb 0.06 0.79 -0.10 0.00 -1.52 0.00 0.00 31.29 30.52 1d0i h VAL 63 CO -0.02 0.01 0.33 0.44 0.02 0.00 0.00 177.57 178.35 1d0i h ASP 64 N 0.03 0.32 -0.08 0.57 3.32 -0.09 -1.75 116.42 118.74 1d0i h ASP 64 Ca 0.10 0.12 -0.12 0.00 0.02 0.00 0.00 57.03 57.15 1d0i h ASP 64 Cb 0.13 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1d0i h ASP 64 CO -0.18 0.10 -0.32 -0.50 -1.72 0.00 0.00 179.24 176.61 1d0i h TRP 65 N 0.46 0.65 -0.31 4.55 6.55 -0.93 -2.11 115.95 124.82 1d0i h TRP 65 Ca 0.45 -0.16 -0.01 0.00 0.95 0.00 0.00 58.89 60.12 1d0i h TRP 65 Cb 0.71 -0.15 -0.01 0.00 -0.86 0.00 0.00 29.16 28.85 1d0i h TRP 65 CO -0.15 0.82 0.17 0.82 -1.05 0.00 0.00 178.44 179.04 1d0i h ILE 66 N 0.48 1.13 -0.95 1.49 2.04 -0.69 -1.32 117.51 119.69 1d0i h ILE 66 Ca 0.06 -0.34 0.06 0.00 1.00 0.00 0.00 64.86 65.63 1d0i h ILE 66 Cb 0.79 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 37.61 1d0i h ILE 66 CO 0.06 0.13 0.61 0.45 0.00 0.00 0.00 178.15 179.40 1d0i h HIS 67 N 0.38 1.13 -0.93 1.37 3.86 -0.86 -1.97 115.15 118.12 1d0i h HIS 67 Ca 0.11 0.03 0.06 0.00 -1.16 0.00 0.00 60.37 59.41 1d0i h HIS 67 Cb 0.06 -0.37 -0.06 0.00 1.06 0.00 0.00 27.41 28.10 1d0i h HIS 67 CO -0.03 0.59 0.61 1.49 0.86 0.00 0.00 177.93 181.45 1d0i h GLU 68 N 1.12 1.04 -0.56 2.45 4.81 -0.73 -2.28 114.58 120.43 1d0i h GLU 68 Ca 0.41 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.55 1d0i h GLU 68 Cb 0.14 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 1d0i h GLU 68 CO -0.17 0.69 0.27 0.00 -0.73 0.00 0.00 179.01 179.07 1d0i h ALA 69 N 1.49 1.42 -0.99 2.92 0.00 -0.47 -2.88 119.26 120.76 1d0i h ALA 69 Ca 0.40 -0.12 0.24 0.00 0.00 0.00 0.00 54.91 55.43 1d0i h ALA 69 Cb 0.19 -0.23 -0.12 0.00 0.00 0.00 0.00 17.79 17.63 1d0i h ALA 69 CO -0.15 0.46 0.57 0.00 0.00 0.00 0.00 179.25 180.12 1d0i h ARG 70 N 0.78 0.55 0.00 0.00 3.08 -1.28 -1.82 114.38 115.70 1d0i h ARG 70 Ca 0.20 -0.03 -0.29 0.00 0.07 0.00 0.00 59.98 59.92 1d0i h ARG 70 Cb 0.08 -0.13 -0.06 0.00 0.08 0.00 0.00 29.97 29.95 1d0i h ARG 70 CO -0.03 0.37 -2.19 1.28 -1.07 0.00 0.00 179.97 178.33 1d0i n LEU 71 N -4.90 0.16 -0.04 3.04 4.77 -1.19 -4.76 117.00 114.08 1d0i n LEU 71 Ca 0.26 0.07 0.03 0.00 -0.03 0.00 0.00 56.01 56.34 1d0i n LEU 71 Cb 0.72 0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 42.14 1d0i n LEU 71 CO 0.16 0.39 0.03 0.59 -1.33 0.00 0.00 177.39 177.23 1d0i n ASN 72 N -2.72 0.48 -4.43 -1.43 3.02 -1.04 -5.06 115.26 104.07 1d0i n ASN 72 Ca -0.25 -0.74 -0.21 0.00 -0.03 0.00 0.00 54.58 53.35 1d0i n ASN 72 Cb 1.04 0.89 -0.10 0.00 -0.61 0.00 0.00 39.78 40.99 1d0i n ASN 72 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1d0i s HIS 73 N -1.53 1.94 -1.76 3.10 3.76 -0.71 -4.42 115.29 115.66 1d0i s HIS 73 Ca 0.03 -0.76 0.23 0.00 -0.15 0.00 0.00 55.06 54.41 1d0i s HIS 73 Cb 0.05 -1.15 0.02 0.00 1.11 0.00 0.00 32.58 32.62 1d0i s HIS 73 CO 0.26 0.21 1.10 0.00 -0.85 0.00 0.00 174.74 175.46 1d0i n GLY 75 N 1.43 0.79 3.03 0.00 0.00 -1.26 -4.34 105.19 104.83 1d0i n GLY 75 Ca 0.08 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 44.95 1d0i n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1d0i s ILE 76 N -2.00 0.95 -0.26 -0.61 1.01 0.16 -1.59 121.20 118.86 1d0i s ILE 76 Ca 0.00 -0.44 -0.03 0.00 0.00 0.00 0.00 60.65 60.18 1d0i s ILE 76 Cb 0.00 -0.85 0.02 0.00 0.01 0.00 0.00 42.46 41.64 1d0i s ILE 76 CO 0.00 0.29 -0.02 -0.69 0.00 0.00 0.00 174.94 174.53 1d0i s VAL 77 N 0.26 3.17 -0.06 2.92 1.01 -0.47 -0.63 120.40 126.60 1d0i s VAL 77 Ca -0.05 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.01 1d0i s VAL 77 Cb -0.10 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.64 1d0i s VAL 77 CO 0.01 0.15 -0.18 -0.51 0.00 0.00 0.00 175.10 174.57 1d0i s ILE 78 N 1.37 1.53 -0.40 2.22 2.07 0.66 -0.10 121.20 128.55 1d0i s ILE 78 Ca 0.00 -0.75 0.02 0.00 -1.41 0.00 0.00 60.65 58.51 1d0i s ILE 78 Cb -0.17 -1.33 0.11 0.00 0.13 0.00 0.00 42.46 41.20 1d0i s ILE 78 CO -0.02 0.44 0.14 0.21 -1.91 0.00 0.00 174.94 173.80 1d0i s ASN 79 N 0.20 4.89 0.04 4.50 3.84 -0.15 -0.77 114.94 127.49 1d0i s ASN 79 Ca -0.09 -2.26 0.27 0.00 0.21 0.00 0.00 52.86 50.99 1d0i s ASN 79 Cb -0.14 -1.70 1.10 0.00 -0.55 0.00 0.00 41.25 39.96 1d0i s ASN 79 CO 0.04 -0.41 1.86 -2.65 -2.79 0.00 0.00 177.10 173.14 1d0i n PRO 80 N 4.18 0.05 0.00 0.43 -0.02 -1.26 -0.84 135.00 137.53 1d0i n PRO 80 Ca 0.03 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1d0i n PRO 80 Cb 0.40 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 1d0i n PRO 80 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1d0i n ALA 81 N -1.56 0.00 0.08 3.55 0.00 -1.26 -1.62 120.51 119.70 1d0i n ALA 81 Ca 0.06 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.68 1d0i n ALA 81 Cb 0.34 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.49 1d0i n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d0i h ALA 82 N -0.61 2.31 0.00 0.00 0.00 -1.94 -1.80 119.26 117.21 1d0i h ALA 82 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1d0i h ALA 82 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1d0i h ALA 82 CO 0.00 -0.50 0.00 0.66 0.00 0.00 0.00 179.25 179.41 1d0i n TYR 83 N -4.29 0.63 -0.22 0.00 4.01 -0.64 -2.09 117.16 114.56 1d0i n TYR 83 Ca 0.06 0.28 -0.04 0.00 -0.16 0.00 0.00 57.90 58.04 1d0i n TYR 83 Cb 0.48 -0.94 0.13 0.00 -0.31 0.00 0.00 39.34 38.70 1d0i n TYR 83 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1d0i h SER 84 N 0.00 0.96 1.35 7.72 0.02 -1.37 0.58 113.55 122.80 1d0i h SER 84 Ca 0.00 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1d0i h SER 84 Cb 0.22 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1d0i h SER 84 CO 0.00 0.86 -0.43 0.45 -1.14 0.00 0.00 176.83 176.56 1d0i h HIS 85 N 1.02 0.00 0.00 3.45 3.86 -1.59 0.17 115.15 122.06 1d0i h HIS 85 Ca 0.24 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 1d0i h HIS 85 Cb 0.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1d0i h HIS 85 CO 0.02 0.00 -0.62 0.25 0.86 0.00 0.00 177.93 178.44 1d0i n THR 86 N -2.59 0.00 -3.29 2.45 -2.24 -1.04 -4.80 114.28 102.78 1d0i n THR 86 Ca 0.03 -0.07 -0.45 0.00 -2.27 0.00 0.00 64.05 61.29 1d0i n THR 86 Cb 0.50 0.49 -0.06 0.00 -2.10 0.00 0.00 70.33 69.16 1d0i n THR 86 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1d0i s SER 87 N -1.37 6.18 0.28 3.42 0.15 0.17 -4.81 113.70 117.72 1d0i s SER 87 Ca 0.00 -1.51 0.12 0.00 0.70 0.00 0.00 55.95 55.26 1d0i s SER 87 Cb 0.00 -2.22 0.38 0.00 -1.71 0.00 0.00 66.02 62.47 1d0i s SER 87 CO 0.00 -0.84 1.61 0.58 1.20 0.00 0.00 173.24 175.79 1d0i h VAL 88 N 5.85 1.33 -0.73 4.45 2.07 -1.94 -2.85 116.25 124.43 1d0i h VAL 88 Ca -0.29 -2.08 0.01 0.00 0.82 0.00 0.00 66.70 65.16 1d0i h VAL 88 Cb 1.10 2.15 -0.04 0.00 -1.52 0.00 0.00 31.29 32.98 1d0i h VAL 88 CO 0.99 0.58 0.48 0.00 0.02 0.00 0.00 177.57 179.64 1d0i h ALA 89 N 1.41 0.94 -0.39 1.67 0.00 -1.97 -0.41 119.26 120.51 1d0i h ALA 89 Ca -0.01 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1d0i h ALA 89 Cb 1.10 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1d0i h ALA 89 CO 0.08 0.31 -0.36 0.82 0.00 0.00 0.00 179.25 180.10 1d0i h ILE 90 N 0.96 1.27 -0.13 0.00 2.04 -1.89 -0.53 117.51 119.24 1d0i h ILE 90 Ca 0.28 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.60 1d0i h ILE 90 Cb -0.07 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1d0i h ILE 90 CO -0.07 0.51 0.09 0.25 0.00 0.00 0.00 178.15 178.93 1d0i h LEU 91 N 0.75 0.15 -1.34 1.44 5.85 -1.21 -1.75 115.31 119.22 1d0i h LEU 91 Ca 0.06 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1d0i h LEU 91 Cb 0.96 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 1d0i h LEU 91 CO 0.09 0.12 0.33 0.44 -0.34 0.00 0.00 178.44 179.08 1d0i h ASP 92 N 0.17 0.69 -0.75 1.25 3.32 -0.99 -0.63 116.42 119.48 1d0i h ASP 92 Ca 0.05 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 1d0i h ASP 92 Cb -0.01 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 1d0i h ASP 92 CO -0.01 0.55 0.28 0.00 -1.72 0.00 0.00 179.24 178.33 1d0i h ALA 93 N 1.57 1.06 0.00 3.45 0.00 -0.67 -2.54 119.26 122.13 1d0i h ALA 93 Ca 0.21 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1d0i h ALA 93 Cb -0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1d0i h ALA 93 CO -0.04 0.65 -0.40 -0.07 0.00 0.00 0.00 179.25 179.40 1d0i h LEU 94 N 1.11 0.00 -1.00 0.00 3.38 -0.65 -2.56 115.31 115.59 1d0i h LEU 94 Ca 0.25 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 1d0i h LEU 94 Cb 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1d0i h LEU 94 CO -0.02 0.40 -0.16 0.78 0.09 0.00 0.00 178.44 179.54 1d0i h ASN 95 N 0.00 0.00 0.48 -0.43 2.35 -0.74 -3.15 115.58 114.09 1d0i h ASN 95 Ca -0.00 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1d0i h ASN 95 Cb 0.95 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.32 1d0i h ASN 95 CO 0.05 0.16 -0.18 0.71 -1.65 0.00 0.00 177.43 176.52 1d0i h THR 96 N 0.00 0.67 -3.49 2.81 1.35 -1.10 -3.35 112.91 109.80 1d0i h THR 96 Ca -0.00 -0.76 -0.65 0.00 -0.55 0.00 0.00 66.41 64.45 1d0i h THR 96 Cb 0.76 1.48 -0.41 0.00 -1.73 0.00 0.00 68.15 68.25 1d0i h THR 96 CO 0.02 0.18 -0.66 0.00 -0.25 0.00 0.00 175.52 174.80 1d0i h ASP 98 N 6.89 0.42 0.86 0.00 3.32 -1.80 -3.17 116.42 122.94 1d0i h ASP 98 Ca -0.07 0.07 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1d0i h ASP 98 Cb 0.94 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.47 1d0i h ASP 98 CO 0.63 0.23 -0.76 1.23 -1.72 0.00 0.00 179.24 178.84 1d0i h GLY 99 N 0.56 0.00 -5.03 2.75 0.00 -1.95 -3.46 103.07 95.94 1d0i h GLY 99 Ca 0.36 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 47.16 1d0i h GLY 99 CO -0.30 0.00 1.12 -2.27 0.00 0.00 0.00 176.54 175.09 1d0i s LEU 100 N -7.10 4.40 0.26 3.11 2.96 -1.20 -4.94 118.68 116.17 1d0i s LEU 100 Ca 0.00 2.72 -0.30 0.00 -0.22 0.00 0.00 54.13 56.34 1d0i s LEU 100 Cb 0.11 -3.56 -0.10 0.00 0.50 0.00 0.00 46.19 43.14 1d0i s LEU 100 CO 0.78 -1.00 1.47 -2.84 -1.32 0.00 0.00 176.35 173.44 1d0i s PRO 101 N 2.97 4.24 -0.03 0.98 0.02 -1.26 -4.91 135.00 137.01 1d0i s PRO 101 Ca 0.81 2.36 0.01 0.00 0.02 0.00 0.00 61.00 64.20 1d0i s PRO 101 Cb -0.45 -3.09 0.02 0.00 0.02 0.00 0.00 34.50 31.00 1d0i s PRO 101 CO 0.37 -0.46 -0.03 0.08 -0.33 0.00 0.00 177.00 176.63 1d0i s VAL 102 N -0.05 0.38 -0.07 3.83 1.01 -1.26 -0.66 120.40 123.57 1d0i s VAL 102 Ca 0.60 -0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.50 1d0i s VAL 102 Cb -0.43 -0.40 0.02 0.00 0.00 0.00 0.00 36.38 35.57 1d0i s VAL 102 CO 0.45 0.17 -0.04 -0.69 0.00 0.00 0.00 175.10 174.98 1d0i s VAL 103 N 0.65 0.65 -0.09 2.92 1.01 0.19 -0.50 120.40 125.24 1d0i s VAL 103 Ca -0.08 -0.10 -0.15 0.00 0.00 0.00 0.00 61.98 61.65 1d0i s VAL 103 Cb -0.11 -0.71 -0.05 0.00 0.00 0.00 0.00 36.38 35.51 1d0i s VAL 103 CO -0.00 0.29 0.37 -0.70 0.00 0.00 0.00 175.10 175.05 1d0i s GLU 104 N 1.48 4.09 -0.06 2.72 2.12 -0.21 -0.25 118.70 128.61 1d0i s GLU 104 Ca -0.01 0.29 0.01 0.00 0.36 0.00 0.00 54.97 55.62 1d0i s GLU 104 Cb -0.13 -3.33 0.02 0.00 0.26 0.00 0.00 34.13 30.94 1d0i s GLU 104 CO -0.04 0.43 -0.08 0.08 -0.54 0.00 0.00 175.26 175.12 1d0i s VAL 105 N -0.19 0.78 -0.09 3.70 1.01 0.05 -1.17 120.40 124.50 1d0i s VAL 105 Ca 0.21 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.97 1d0i s VAL 105 Cb -0.15 -0.77 -0.00 0.00 0.00 0.00 0.00 36.38 35.46 1d0i s VAL 105 CO 0.09 0.28 -0.23 -1.00 0.00 0.00 0.00 175.10 174.24 1d0i s HIS 106 N 0.87 2.55 0.11 5.22 3.76 -0.04 -4.00 115.29 123.76 1d0i s HIS 106 Ca -0.11 -0.92 -0.12 0.00 -0.15 0.00 0.00 55.06 53.75 1d0i s HIS 106 Cb -0.15 -1.69 -0.12 0.00 1.11 0.00 0.00 32.58 31.73 1d0i s HIS 106 CO 0.01 -0.34 1.36 0.82 -0.85 0.00 0.00 174.74 175.74 1d0i h ILE 107 N 5.50 1.27 -3.33 0.60 2.04 -1.87 -1.99 117.51 119.74 1d0i h ILE 107 Ca -0.23 -1.83 -0.48 0.00 1.00 0.00 0.00 64.86 63.31 1d0i h ILE 107 Cb 1.22 1.79 0.03 0.00 -0.74 0.00 0.00 36.82 39.12 1d0i h ILE 107 CO 0.48 0.59 0.03 -0.94 0.00 0.00 0.00 178.15 178.31 1d0i s SER 108 N -7.01 6.13 -0.79 1.72 1.04 -1.26 -2.60 113.70 110.94 1d0i s SER 108 Ca -0.11 0.73 -0.22 0.00 0.48 0.00 0.00 55.95 56.83 1d0i s SER 108 Cb 0.09 -2.05 0.08 0.00 0.10 0.00 0.00 66.02 64.24 1d0i s SER 108 CO 0.90 -0.60 1.11 0.21 0.98 0.00 0.00 173.24 175.84 1d0i s ASN 109 N -4.13 6.33 0.54 7.02 3.84 -1.26 -1.01 114.94 126.27 1d0i s ASN 109 Ca 0.47 -1.26 0.25 0.00 0.21 0.00 0.00 52.86 52.53 1d0i s ASN 109 Cb -0.10 -2.45 1.54 0.00 -0.55 0.00 0.00 41.25 39.68 1d0i s ASN 109 CO 0.42 -1.40 2.15 0.16 -2.79 0.00 0.00 177.10 175.65 1d0i h ILE 110 N 6.05 0.68 0.00 -5.21 3.07 -1.92 -0.98 117.51 119.19 1d0i h ILE 110 Ca -0.11 -0.25 0.00 0.00 1.55 0.00 0.00 64.86 66.06 1d0i h ILE 110 Cb 1.05 1.15 0.00 0.00 -0.27 0.00 0.00 36.82 38.75 1d0i h ILE 110 CO 1.21 0.06 0.00 1.41 -1.05 0.00 0.00 178.15 179.78 1d0i n HIS 111 N -3.94 0.00 0.89 0.16 8.25 -1.26 -2.13 115.22 117.19 1d0i n HIS 111 Ca -0.03 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.54 1d0i n HIS 111 Cb 0.15 -0.27 0.05 0.00 1.12 0.00 0.00 29.99 31.04 1d0i n HIS 111 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1d0i n GLN 112 N -1.27 1.72 -0.11 -0.41 6.02 -0.37 -4.99 117.38 117.97 1d0i n GLN 112 Ca 0.10 -1.41 0.00 0.00 -0.01 0.00 0.00 57.00 55.68 1d0i n GLN 112 Cb 0.15 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 30.01 1d0i n GLN 112 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1d0i n ARG 113 N 0.65 2.91 -1.86 -1.09 1.74 -0.91 -5.05 116.66 113.06 1d0i n ARG 113 Ca 0.11 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.82 1d0i n ARG 113 Cb 0.48 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.98 1d0i n ARG 113 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1d0i s GLU 114 N 2.33 2.74 0.34 5.56 8.01 -1.26 -4.88 118.70 131.53 1d0i s GLU 114 Ca 0.00 1.97 0.09 0.00 0.01 0.00 0.00 54.97 57.03 1d0i s GLU 114 Cb 0.00 -1.88 0.81 0.00 -4.31 0.00 0.00 34.13 28.75 1d0i s GLU 114 CO 0.00 -1.43 1.82 -1.35 0.01 0.00 0.00 175.26 174.31 1d0i h PRO 115 N 0.70 0.68 0.00 0.39 0.11 -1.97 0.22 132.00 132.13 1d0i h PRO 115 Ca -0.51 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1d0i h PRO 115 Cb 1.32 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1d0i h PRO 115 CO 0.54 0.45 0.00 0.27 -0.21 0.00 0.00 178.00 179.05 1d0i h PHE 116 N 0.70 0.00 -0.01 0.65 -5.15 -1.97 -0.82 116.94 110.33 1d0i h PHE 116 Ca 0.52 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.29 1d0i h PHE 116 Cb 0.89 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.06 1d0i h PHE 116 CO -0.00 0.00 -0.10 0.54 -2.00 0.00 0.00 178.31 176.74 1d0i n ARG 117 N -2.59 1.32 0.12 6.09 1.74 0.76 -4.18 116.66 119.93 1d0i n ARG 117 Ca -0.01 -0.76 -0.02 0.00 -0.77 0.00 0.00 57.85 56.28 1d0i n ARG 117 Cb 0.12 -1.48 0.18 0.00 -1.02 0.00 0.00 32.46 30.25 1d0i n ARG 117 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1d0i h HIS 118 N 1.87 0.12 -2.82 -1.55 3.86 -1.20 -3.44 115.15 111.99 1d0i h HIS 118 Ca 0.00 -0.05 -0.65 0.00 -1.16 0.00 0.00 60.37 58.52 1d0i h HIS 118 Cb 0.50 -0.02 -0.07 0.00 1.06 0.00 0.00 27.41 28.87 1d0i h HIS 118 CO 0.00 0.65 -0.42 -1.58 0.86 0.00 0.00 177.93 177.44 1d0i s HIS 119 N -3.76 3.60 -0.10 2.45 5.65 -1.26 -4.90 115.29 116.97 1d0i s HIS 119 Ca -0.03 0.60 0.01 0.00 0.25 0.00 0.00 55.06 55.90 1d0i s HIS 119 Cb 0.13 -2.06 0.02 0.00 -1.18 0.00 0.00 32.58 29.49 1d0i s HIS 119 CO 0.77 0.64 -0.11 0.45 -0.65 0.00 0.00 174.74 175.84 1d0i s SER 120 N -0.79 2.10 0.45 9.88 0.15 -1.26 -4.20 113.70 120.03 1d0i s SER 120 Ca 0.16 -0.33 0.11 0.00 0.70 0.00 0.00 55.95 56.58 1d0i s SER 120 Cb -0.13 -0.89 1.01 0.00 -1.71 0.00 0.00 66.02 64.30 1d0i s SER 120 CO 0.05 -0.04 2.09 1.88 1.20 0.00 0.00 173.24 178.41 1d0i h TYR 121 N 7.64 0.31 0.00 3.44 0.05 -0.96 -3.10 116.97 124.35 1d0i h TYR 121 Ca -0.31 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.39 1d0i h TYR 121 Cb 1.16 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.78 1d0i h TYR 121 CO 0.48 0.21 -0.39 0.28 -1.05 0.00 0.00 178.16 177.68 1d0i h VAL 122 N 0.33 1.27 0.00 -2.88 2.07 -1.88 -3.12 116.25 112.05 1d0i h VAL 122 Ca 0.09 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 1d0i h VAL 122 Cb -0.01 1.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1d0i h VAL 122 CO -0.02 0.38 -0.04 0.28 0.02 0.00 0.00 177.57 178.20 1d0i h SER 123 N 0.00 0.00 1.52 0.57 0.02 -1.90 0.78 113.55 114.53 1d0i h SER 123 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1d0i h SER 123 Cb 0.70 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.24 1d0i h SER 123 CO 0.05 0.04 0.00 0.06 -1.14 0.00 0.00 176.83 175.84 1d0i h GLN 124 N 0.00 0.00 0.00 3.45 3.07 -1.72 -3.25 115.11 116.65 1d0i h GLN 124 Ca -0.00 0.00 -0.27 0.00 0.09 0.00 0.00 58.65 58.47 1d0i h GLN 124 Cb 0.14 0.00 -0.05 0.00 0.08 0.00 0.00 27.48 27.65 1d0i h GLN 124 CO 0.01 0.00 -2.06 -2.13 0.09 0.00 0.00 178.83 174.74 1d0i n ARG 125 N -2.55 1.43 -1.72 0.06 3.00 0.08 -5.01 116.66 111.96 1d0i n ARG 125 Ca 0.04 -0.01 -0.43 0.00 -0.00 0.00 0.00 57.85 57.46 1d0i n ARG 125 Cb 0.43 -1.40 -0.01 0.00 0.00 0.00 0.00 32.46 31.48 1d0i n ARG 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1d0i n ALA 126 N -2.56 1.78 -0.12 5.13 0.00 -0.15 -4.88 120.51 119.70 1d0i n ALA 126 Ca -0.25 0.37 -0.11 0.00 0.00 0.00 0.00 53.44 53.45 1d0i n ALA 126 Cb 0.99 -2.34 -0.02 0.00 0.00 0.00 0.00 19.45 18.07 1d0i n ALA 126 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1d0i h ASP 127 N 3.57 0.70 -4.94 0.00 3.32 -1.13 -3.45 116.42 114.48 1d0i h ASP 127 Ca -0.47 -0.36 -0.18 0.00 0.02 0.00 0.00 57.03 56.03 1d0i h ASP 127 Cb 1.26 -0.19 -0.18 0.00 0.22 0.00 0.00 39.33 40.44 1d0i h ASP 127 CO 0.70 0.90 -0.70 -0.83 -1.72 0.00 0.00 179.24 177.59 1d0i s GLY 128 N -3.43 0.49 -0.07 2.75 0.00 -1.20 -5.06 107.32 100.81 1d0i s GLY 128 Ca -0.13 -1.01 -0.01 0.00 0.00 0.00 0.00 44.72 43.57 1d0i s GLY 128 CO 0.80 -1.10 -0.01 0.14 0.00 0.00 0.00 173.10 172.93 1d0i s VAL 129 N -2.79 0.44 -0.19 1.40 1.01 -1.26 -1.04 120.40 117.98 1d0i s VAL 129 Ca -0.01 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 1d0i s VAL 129 Cb -0.00 -0.57 0.01 0.00 0.00 0.00 0.00 36.38 35.81 1d0i s VAL 129 CO -0.05 0.26 -0.14 -0.69 0.00 0.00 0.00 175.10 174.48 1d0i s VAL 130 N 1.79 2.56 -0.00 2.92 1.01 -0.31 -4.99 120.40 123.38 1d0i s VAL 130 Ca 0.03 -0.78 0.04 0.00 0.00 0.00 0.00 61.98 61.26 1d0i s VAL 130 Cb -0.13 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 1d0i s VAL 130 CO -0.05 0.50 -0.11 0.00 0.00 0.00 0.00 175.10 175.44 1d0i s ALA 131 N 1.24 0.95 -0.91 5.51 0.00 -1.26 -0.86 121.76 126.44 1d0i s ALA 131 Ca 0.03 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1d0i s ALA 131 Cb -0.14 -0.22 0.00 0.00 0.00 0.00 0.00 23.12 22.76 1d0i s ALA 131 CO -0.07 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.32 1d0i n GLY 132 N 2.64 0.75 1.01 0.00 0.00 -0.18 -4.78 105.19 104.63 1d0i n GLY 132 Ca -0.15 -0.59 0.08 0.00 0.00 0.00 0.00 46.02 45.37 1d0i n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d0i n GLY 134 N -0.36 0.74 0.26 0.00 0.00 -1.07 -2.88 105.19 101.88 1d0i n GLY 134 Ca 0.22 -0.81 0.17 0.00 0.00 0.00 0.00 46.02 45.60 1d0i n GLY 134 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1d0i h VAL 135 N 0.00 0.00 0.00 1.61 -1.51 -1.88 -1.10 116.25 113.37 1d0i h VAL 135 Ca 0.00 -0.47 -0.00 0.00 -1.23 0.00 0.00 66.70 65.00 1d0i h VAL 135 Cb 0.00 1.43 -0.00 0.00 -2.13 0.00 0.00 31.29 30.59 1d0i h VAL 135 CO 0.00 0.00 -0.02 -0.61 -1.23 0.00 0.00 177.57 175.71 1d0i h GLN 136 N 0.00 0.00 -0.23 5.19 4.15 -1.96 -0.70 115.11 121.56 1d0i h GLN 136 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.43 1d0i h GLN 136 Cb 0.48 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 1d0i h GLN 136 CO 0.00 0.02 0.16 0.78 -1.93 0.00 0.00 178.83 177.86 1d0i h GLY 137 N 0.25 0.29 1.16 2.39 0.00 -1.05 -1.17 103.07 104.94 1d0i h GLY 137 Ca -0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.17 1d0i h GLY 137 CO 0.00 0.10 0.18 -0.97 0.00 0.00 0.00 176.54 175.85 1d0i h TYR 138 N 0.27 1.08 -0.27 5.60 -1.99 -1.32 -1.10 116.97 119.25 1d0i h TYR 138 Ca 0.09 -0.11 -0.01 0.00 2.00 0.00 0.00 58.73 60.70 1d0i h TYR 138 Cb 0.04 -0.31 -0.01 0.00 2.00 0.00 0.00 36.73 38.44 1d0i h TYR 138 CO -0.00 0.88 0.15 0.28 -0.00 0.00 0.00 178.16 179.46 1d0i h VAL 139 N 1.00 1.13 -0.98 -2.88 2.07 -1.36 -1.17 116.25 114.05 1d0i h VAL 139 Ca 0.21 -0.34 0.07 0.00 0.82 0.00 0.00 66.70 67.47 1d0i h VAL 139 Cb 0.32 0.86 -0.07 0.00 -1.52 0.00 0.00 31.29 30.88 1d0i h VAL 139 CO -0.00 0.13 0.63 -0.26 0.02 0.00 0.00 177.57 178.09 1d0i h PHE 140 N 0.32 1.15 -0.56 1.57 0.04 -1.09 0.13 116.94 118.50 1d0i h PHE 140 Ca 0.10 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.88 1d0i h PHE 140 Cb 0.07 -0.38 -0.03 0.00 2.20 0.00 0.00 35.95 37.82 1d0i h PHE 140 CO -0.03 0.58 0.30 0.78 -0.60 0.00 0.00 178.31 179.34 1d0i h GLY 141 N 1.12 0.85 0.96 -1.45 0.00 -0.75 0.35 103.07 104.15 1d0i h GLY 141 Ca 0.43 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 1d0i h GLY 141 CO -0.18 0.38 0.15 -2.08 0.00 0.00 0.00 176.54 174.81 1d0i h VAL 142 N 0.76 1.23 -0.85 4.60 2.07 -0.69 -0.71 116.25 122.66 1d0i h VAL 142 Ca 0.20 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 1d0i h VAL 142 Cb 0.06 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 1d0i h VAL 142 CO -0.03 0.28 0.46 -0.33 0.02 0.00 0.00 177.57 177.97 1d0i h GLU 143 N 0.63 1.18 -0.38 1.57 4.39 -0.52 0.30 114.58 121.75 1d0i h GLU 143 Ca 0.15 -0.14 -0.14 0.00 0.34 0.00 0.00 59.36 59.57 1d0i h GLU 143 Cb 0.27 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1d0i h GLU 143 CO -0.00 0.87 -0.33 -0.09 -1.16 0.00 0.00 179.01 178.30 1d0i h ARG 144 N 1.19 0.87 -0.59 2.33 9.65 0.08 -2.17 114.38 125.74 1d0i h ARG 144 Ca 0.30 -0.42 -0.01 0.00 -1.10 0.00 0.00 59.98 58.75 1d0i h ARG 144 Cb 0.03 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.58 1d0i h ARG 144 CO -0.05 1.06 0.33 0.82 2.80 0.00 0.00 179.97 184.93 1d0i h ILE 145 N 0.72 1.19 -0.89 1.20 1.08 -0.68 -1.23 117.51 118.91 1d0i h ILE 145 Ca 0.07 -0.48 0.06 0.00 -0.39 0.00 0.00 64.86 64.12 1d0i h ILE 145 Cb 0.89 0.43 -0.06 0.00 -3.07 0.00 0.00 36.82 35.02 1d0i h ILE 145 CO 0.08 0.21 0.58 0.00 -0.69 0.00 0.00 178.15 178.33 1d0i h ALA 146 N 1.15 1.50 0.01 1.87 0.00 -0.76 0.28 119.26 123.31 1d0i h ALA 146 Ca 0.21 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 1d0i h ALA 146 Cb 0.04 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1d0i h ALA 146 CO -0.03 0.38 -0.90 0.00 0.00 0.00 0.00 179.25 178.70 1d0i h ALA 147 N 1.51 0.51 -0.10 0.00 0.00 -0.76 -3.11 119.26 117.30 1d0i h ALA 147 Ca 0.37 -0.79 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 1d0i h ALA 147 Cb 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1d0i h ALA 147 CO -0.13 1.05 -0.37 -0.07 0.00 0.00 0.00 179.25 179.72 1d0i h LEU 148 N 0.03 0.51 0.00 0.00 3.38 -0.48 -3.10 115.31 115.64 1d0i h LEU 148 Ca -0.03 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1d0i h LEU 148 Cb 1.57 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.17 1d0i h LEU 148 CO 0.12 1.04 0.00 0.00 0.09 0.00 0.00 178.44 179.69 1d0i n ALA 149 N -2.51 2.11 -0.28 1.53 0.00 0.92 -2.90 120.51 119.37 1d0i n ALA 149 Ca -0.08 -0.10 0.05 0.00 0.00 0.00 0.00 53.44 53.31 1d0i n ALA 149 Cb 0.53 -1.31 0.14 0.00 0.00 0.00 0.00 19.45 18.80 1d0i n ALA 149 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1d0i n GLY 150 N 0.27 3.05 0.00 0.00 0.00 -1.17 -4.73 105.19 102.61 1d0i n GLY 150 Ca 0.12 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.71 1d0i n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32