#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 3.38 0.57 0.54 0.52 -1.26 -5.06 118.95 117.63 1d0i s ARG 2 Ca 0.00 1.60 -0.01 0.00 -0.52 0.00 0.00 55.73 56.80 1d0i s ARG 2 Cb 0.00 -2.01 0.03 0.00 0.52 0.00 0.00 34.95 33.49 1d0i s ARG 2 CO 0.00 -0.83 0.82 -1.54 0.02 0.00 0.00 175.30 173.77 1d0i s SER 3 N -1.78 5.26 0.47 0.23 1.04 -1.26 -4.74 113.70 112.93 1d0i s SER 3 Ca 0.73 0.15 0.22 0.00 0.48 0.00 0.00 55.95 57.52 1d0i s SER 3 Cb -0.24 -1.03 1.19 0.00 0.10 0.00 0.00 66.02 66.04 1d0i s SER 3 CO 0.27 -1.18 1.99 -0.07 0.98 0.00 0.00 173.24 175.23 1d0i h LEU 4 N -0.03 0.00 -0.66 2.42 4.07 -1.92 -2.27 115.31 116.91 1d0i h LEU 4 Ca -0.43 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.39 1d0i h LEU 4 Cb 1.29 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 43.01 1d0i h LEU 4 CO 0.55 0.19 -0.67 0.00 -1.08 0.00 0.00 178.44 177.43 1d0i h ALA 5 N 1.81 0.89 0.00 1.53 0.00 -1.88 -3.32 119.26 118.30 1d0i h ALA 5 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1d0i h ALA 5 Cb 0.42 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1d0i h ALA 5 CO 0.02 0.83 -0.94 -1.71 0.00 0.00 0.00 179.25 177.45 1d0i n ASN 6 N -3.75 0.93 -3.59 0.00 2.85 -0.93 -4.98 115.26 105.78 1d0i n ASN 6 Ca -0.01 -0.90 -0.15 0.00 -0.11 0.00 0.00 54.58 53.41 1d0i n ASN 6 Cb 0.66 0.90 -0.07 0.00 1.24 0.00 0.00 39.78 42.51 1d0i n ASN 6 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1d0i s ALA 7 N -3.00 -1.78 0.78 5.20 0.00 -0.90 -4.94 121.76 117.12 1d0i s ALA 7 Ca 0.08 1.77 -0.13 0.00 0.00 0.00 0.00 51.96 53.69 1d0i s ALA 7 Cb 0.16 -0.76 0.07 0.00 0.00 0.00 0.00 23.12 22.58 1d0i s ALA 7 CO 0.85 -0.35 1.15 -1.25 0.00 0.00 0.00 175.76 176.16 1d0i s PRO 8 N -0.19 1.97 -0.09 0.00 0.04 -1.26 -4.10 135.00 131.37 1d0i s PRO 8 Ca -0.04 1.51 -0.22 0.00 0.04 0.00 0.00 61.00 62.29 1d0i s PRO 8 Cb -0.03 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.63 1d0i s PRO 8 CO 0.04 -1.91 0.66 0.42 0.04 0.00 0.00 177.00 176.25 1d0i s ILE 9 N -2.43 5.07 -0.02 0.56 1.01 0.59 -0.96 121.20 125.02 1d0i s ILE 9 Ca 0.68 1.35 -0.26 0.00 0.00 0.00 0.00 60.65 62.42 1d0i s ILE 9 Cb -0.23 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.20 1d0i s ILE 9 CO 0.50 0.25 0.79 -0.32 0.00 0.00 0.00 174.94 176.16 1d0i s MET 10 N 0.88 4.49 -0.29 2.79 -2.45 -0.51 -0.83 119.30 123.38 1d0i s MET 10 Ca 0.35 1.07 -0.00 0.00 -1.25 0.00 0.00 55.69 55.86 1d0i s MET 10 Cb -0.17 -3.43 0.06 0.00 1.25 0.00 0.00 34.83 32.54 1d0i s MET 10 CO 0.16 0.09 -0.02 0.42 1.05 0.00 0.00 175.02 176.72 1d0i s ILE 11 N 0.63 2.73 -0.18 10.11 -1.09 -0.13 -0.72 121.20 132.56 1d0i s ILE 11 Ca 0.42 -1.52 -0.04 0.00 -2.23 0.00 0.00 60.65 57.27 1d0i s ILE 11 Cb -0.19 -2.61 -0.02 0.00 -1.58 0.00 0.00 42.46 38.05 1d0i s ILE 11 CO 0.22 -0.13 -0.03 -0.76 -1.23 0.00 0.00 174.94 173.01 1d0i s LEU 12 N 1.19 3.20 -0.16 2.97 1.43 0.65 -0.74 118.68 127.21 1d0i s LEU 12 Ca -0.05 -0.19 -0.00 0.00 -1.03 0.00 0.00 54.13 52.86 1d0i s LEU 12 Cb -0.20 -1.79 -0.00 0.00 0.03 0.00 0.00 46.19 44.23 1d0i s LEU 12 CO -0.03 0.12 -0.13 0.20 0.23 0.00 0.00 176.35 176.74 1d0i s ASN 13 N 0.68 3.79 0.22 2.29 0.01 -0.26 -1.12 114.94 120.55 1d0i s ASN 13 Ca -0.02 -0.45 0.00 0.00 -0.71 0.00 0.00 52.86 51.69 1d0i s ASN 13 Cb -0.14 -1.60 0.00 0.00 0.41 0.00 0.00 41.25 39.92 1d0i s ASN 13 CO 0.02 0.07 0.00 0.61 -1.51 0.00 0.00 177.10 176.29 1d0i n GLY 14 N 4.15 -1.35 3.77 0.66 0.00 0.12 -1.60 105.19 110.94 1d0i n GLY 14 Ca -0.19 -1.55 -0.37 0.00 0.00 0.00 0.00 46.02 43.91 1d0i n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1d0i s PRO 15 N -0.66 3.50 0.00 1.61 0.04 -1.14 -3.07 135.00 135.27 1d0i s PRO 15 Ca 0.00 1.79 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1d0i s PRO 15 Cb 0.00 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1d0i s PRO 15 CO 0.00 -0.77 0.00 0.09 0.04 0.00 0.00 177.00 176.36 1d0i n ASN 16 N -0.88 0.00 0.18 6.66 3.02 -1.26 -4.57 115.26 118.41 1d0i n ASN 16 Ca 0.09 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.78 1d0i n ASN 16 Cb 0.49 -0.53 0.50 0.00 -0.61 0.00 0.00 39.78 39.62 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 -2.20 3.41 3.38 -1.91 -1.66 115.31 116.33 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 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1d0i h LEU 17 CO 0.00 0.00 0.08 -0.55 0.09 0.00 0.00 178.44 178.06 1d0i h ASN 18 N 0.00 0.00 -0.47 -0.43 -0.00 -1.88 -1.04 115.58 111.76 1d0i h ASN 18 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1d0i h ASN 18 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.86 1d0i h ASN 18 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 177.43 177.61 1d0i n LEU 19 N -4.15 2.92 -4.71 6.14 4.77 -0.62 -4.79 117.00 116.55 1d0i n LEU 19 Ca -0.01 -1.46 -0.43 0.00 -0.03 0.00 0.00 56.01 54.08 1d0i n LEU 19 Cb 0.18 -0.38 -0.02 0.00 -2.33 0.00 0.00 43.42 40.87 1d0i n LEU 19 CO 0.31 0.63 1.11 -0.11 -1.33 0.00 0.00 177.39 177.99 1d0i n LEU 20 N 0.84 3.82 0.00 2.23 7.94 -0.39 -2.11 117.00 129.32 1d0i n LEU 20 Ca 0.17 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 56.23 1d0i n LEU 20 Cb 0.50 -1.52 0.00 0.00 0.53 0.00 0.00 43.42 42.93 1d0i n LEU 20 CO 0.13 -0.17 0.00 0.61 -1.11 0.00 0.00 177.39 176.85 1d0i n GLY 21 N 1.88 3.30 0.13 -3.96 0.00 -1.09 -4.03 105.19 101.42 1d0i n GLY 21 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 1d0i n GLY 21 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1d0i n GLN 22 N -1.97 0.71 -4.11 1.61 6.02 -0.90 -4.74 117.38 113.99 1d0i n GLN 22 Ca 0.00 0.34 -0.24 0.00 -0.01 0.00 0.00 57.00 57.09 1d0i n GLN 22 Cb 0.00 -1.71 -0.05 0.00 1.02 0.00 0.00 30.24 29.50 1d0i n GLN 22 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1d0i s ARG 23 N -2.51 2.87 -0.09 -1.09 1.04 -1.25 -4.87 118.95 113.04 1d0i s ARG 23 Ca -0.24 -1.00 -0.08 0.00 -1.04 0.00 0.00 55.73 53.36 1d0i s ARG 23 Cb 0.07 -2.57 0.01 0.00 -2.04 0.00 0.00 34.95 30.42 1d0i s ARG 23 CO 0.72 0.43 0.14 0.00 -0.04 0.00 0.00 175.30 176.55 1d0i n GLN 24 N -0.80 -0.40 0.21 3.89 10.64 -1.26 -4.68 117.38 124.99 1d0i n GLN 24 Ca -0.08 0.29 0.14 0.00 -1.83 0.00 0.00 57.00 55.52 1d0i n GLN 24 Cb 0.57 -0.41 0.43 0.00 -0.86 0.00 0.00 30.24 29.96 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 0.44 0.00 -0.40 2.61 0.13 -1.90 0.24 132.00 133.13 1d0i h PRO 25 Ca -0.12 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.86 1d0i h PRO 25 Cb 0.29 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.42 1d0i h PRO 25 CO 0.05 0.00 -0.34 0.93 -0.23 0.00 0.00 178.00 178.41 1d0i h GLU 26 N 0.00 0.93 0.00 0.86 3.07 -1.88 -1.00 114.58 116.56 1d0i h GLU 26 Ca 0.00 -0.47 -0.06 0.00 -0.50 0.00 0.00 59.36 58.33 1d0i h GLU 26 Cb 0.71 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.62 1d0i h GLU 26 CO 0.00 1.13 -0.36 0.82 -1.40 0.00 0.00 179.01 179.19 1d0i h ILE 27 N 0.75 0.98 -0.00 3.13 2.04 -1.91 -3.42 117.51 119.07 1d0i h ILE 27 Ca 0.07 -1.85 0.00 0.00 1.00 0.00 0.00 64.86 64.08 1d0i h ILE 27 Cb 0.93 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.98 1d0i h ILE 27 CO 0.09 0.33 -0.89 -1.22 0.00 0.00 0.00 178.15 176.45 1d0i n TYR 28 N -4.61 0.00 -2.00 1.37 4.01 0.07 -4.40 117.16 111.60 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 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 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 -1.93 0.00 2.72 0.00 -0.38 -4.65 105.19 102.43 1d0i n GLY 29 Ca 0.05 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 0.49 0.94 -4.81 1.61 3.41 -1.26 -4.19 113.62 109.81 1d0i n SER 30 Ca 0.00 -0.97 -0.32 0.00 -0.26 0.00 0.00 58.87 57.32 1d0i n SER 30 Cb 0.00 0.07 0.03 0.00 -0.26 0.00 0.00 64.21 64.05 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 -0.08 5.49 0.58 4.04 1.01 -1.26 -4.63 116.67 121.82 1d0i s ASP 31 Ca 0.00 1.74 0.09 0.00 0.71 0.00 0.00 52.55 55.09 1d0i s ASP 31 Cb 0.00 -2.52 0.09 0.00 1.01 0.00 0.00 42.92 41.50 1d0i s ASP 31 CO 0.00 -1.36 0.72 0.35 0.21 0.00 0.00 175.17 175.09 1d0i n THR 32 N -2.61 0.00 0.20 -1.27 -2.24 -1.26 -2.66 114.28 104.44 1d0i n THR 32 Ca 0.08 -2.01 0.06 0.00 -2.27 0.00 0.00 64.05 59.91 1d0i n THR 32 Cb 0.53 -0.40 0.44 0.00 -2.10 0.00 0.00 70.33 68.80 1d0i n THR 32 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1d0i h LEU 33 N 0.00 0.00 -0.57 3.22 5.85 -1.81 -1.55 115.31 120.45 1d0i h LEU 33 Ca -0.29 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.27 1d0i h LEU 33 Cb 1.27 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 1d0i h LEU 33 CO 0.43 0.31 -0.63 0.00 -0.34 0.00 0.00 178.44 178.21 1d0i h ALA 34 N 1.69 0.76 -0.43 1.25 0.00 -1.94 -0.01 119.26 120.57 1d0i h ALA 34 Ca -0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 1d0i h ALA 34 Cb 0.65 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1d0i h ALA 34 CO 0.04 0.74 0.24 -0.44 0.00 0.00 0.00 179.25 179.83 1d0i h ASP 35 N 0.23 0.54 -0.30 0.00 3.32 -1.70 -1.13 116.42 117.39 1d0i h ASP 35 Ca -0.01 -0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.01 1d0i h ASP 35 Cb 1.16 -0.14 -0.05 0.00 0.22 0.00 0.00 39.33 40.52 1d0i h ASP 35 CO 0.10 0.47 -0.04 0.58 -1.72 0.00 0.00 179.24 178.64 1d0i h VAL 36 N 0.57 0.74 -0.82 -1.35 2.07 -0.94 0.04 116.25 116.57 1d0i h VAL 36 Ca 0.15 -0.02 0.12 0.00 0.82 0.00 0.00 66.70 67.77 1d0i h VAL 36 Cb 0.05 0.70 -0.08 0.00 -1.52 0.00 0.00 31.29 30.44 1d0i h VAL 36 CO -0.02 0.01 0.44 -0.08 0.02 0.00 0.00 177.57 177.93 1d0i h GLU 37 N 0.04 0.67 -0.72 1.57 4.81 -0.59 -1.45 114.58 118.91 1d0i h GLU 37 Ca 0.14 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1d0i h GLU 37 Cb 0.20 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 1d0i h GLU 37 CO -0.27 0.44 0.32 0.00 -0.73 0.00 0.00 179.01 178.77 1d0i h ALA 38 N 1.50 0.93 -0.97 2.92 0.00 0.12 0.43 119.26 124.18 1d0i h ALA 38 Ca 0.42 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.19 1d0i h ALA 38 Cb 0.49 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1d0i h ALA 38 CO -0.30 0.51 0.64 -0.07 0.00 0.00 0.00 179.25 180.03 1d0i h LEU 39 N 1.01 1.08 -0.39 0.00 3.38 -0.30 -1.56 115.31 118.53 1d0i h LEU 39 Ca 0.24 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 58.02 1d0i h LEU 39 Cb 0.15 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 1d0i h LEU 39 CO -0.03 0.76 -0.59 0.00 0.09 0.00 0.00 178.44 178.67 1d0i h VAL 41 N 0.51 1.04 -0.17 0.00 2.07 -0.47 -0.54 116.25 118.70 1d0i h VAL 41 Ca -0.00 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.43 1d0i h VAL 41 Cb 1.17 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.62 1d0i h VAL 41 CO 0.12 0.06 0.03 0.50 0.02 0.00 0.00 177.57 178.29 1d0i h LYS 42 N 0.32 0.09 -0.55 1.57 3.64 -1.23 -0.66 116.57 119.74 1d0i h LYS 42 Ca 0.10 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.41 1d0i h LYS 42 Cb -0.02 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 1d0i h LYS 42 CO -0.04 0.06 0.11 0.00 -2.27 0.00 0.00 179.45 177.31 1d0i h ALA 43 N 1.12 0.73 -0.43 5.00 0.00 -1.20 -2.56 119.26 121.92 1d0i h ALA 43 Ca 0.07 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1d0i h ALA 43 Cb 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1d0i h ALA 43 CO -0.10 0.45 0.12 0.00 0.00 0.00 0.00 179.25 179.72 1d0i h ALA 44 N 1.00 0.56 -0.96 0.00 0.00 -0.81 -3.00 119.26 116.05 1d0i h ALA 44 Ca 0.17 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1d0i h ALA 44 Cb 0.38 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 1d0i h ALA 44 CO 0.01 0.23 0.59 0.00 0.00 0.00 0.00 179.25 180.07 1d0i h ALA 45 N 0.97 1.42 0.00 0.00 0.00 -1.01 0.66 119.26 121.30 1d0i h ALA 45 Ca 0.14 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1d0i h ALA 45 Cb 0.29 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1d0i h ALA 45 CO -0.00 0.20 0.04 0.00 0.00 0.00 0.00 179.25 179.49 1d0i h ALA 46 N 1.51 1.04 -0.23 0.00 0.00 -1.31 0.16 119.26 120.44 1d0i h ALA 46 Ca 0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1d0i h ALA 46 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1d0i h ALA 46 CO -0.26 -0.04 0.00 0.72 0.00 0.00 0.00 179.25 179.67 1d0i n HIS 47 N -2.75 0.50 -1.07 0.00 8.25 -0.24 -4.96 115.22 114.95 1d0i n HIS 47 Ca -0.02 -0.68 -0.02 0.00 -0.26 0.00 0.00 57.72 56.73 1d0i n HIS 47 Cb 0.09 -0.14 -0.01 0.00 1.12 0.00 0.00 29.99 31.05 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 -0.20 0.58 2.00 -1.41 0.00 0.56 -4.81 105.19 101.90 1d0i n GLY 48 Ca 0.14 -0.74 -0.17 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.58 3.63 3.23 -0.02 0.00 0.06 -4.22 105.19 105.30 1d0i n GLY 49 Ca -0.02 -2.29 -0.13 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.87 0.62 0.25 2.61 -4.23 -1.26 -2.95 115.64 108.80 1d0i s THR 50 Ca 0.04 -1.97 0.09 0.00 -1.18 0.00 0.00 61.69 58.67 1d0i s THR 50 Cb -0.00 -2.12 -0.05 0.00 1.34 0.00 0.00 72.50 71.67 1d0i s THR 50 CO 0.02 -0.47 -0.15 0.68 -0.54 0.00 0.00 174.62 174.17 1d0i s VAL 51 N -3.69 2.00 -0.39 2.29 -7.23 -1.26 -0.30 120.40 111.82 1d0i s VAL 51 Ca 0.24 -2.26 0.02 0.00 -1.81 0.00 0.00 61.98 58.17 1d0i s VAL 51 Cb 0.06 -2.22 0.11 0.00 0.56 0.00 0.00 36.38 34.90 1d0i s VAL 51 CO 0.04 -0.47 0.14 -0.62 -0.31 0.00 0.00 175.10 173.88 1d0i s ASP 52 N -3.41 4.24 -0.24 4.85 -1.08 -0.01 -4.82 116.67 116.21 1d0i s ASP 52 Ca 0.26 -2.27 -0.18 0.00 -0.52 0.00 0.00 52.55 49.84 1d0i s ASP 52 Cb -0.01 -1.29 -0.03 0.00 -1.46 0.00 0.00 42.92 40.12 1d0i s ASP 52 CO 0.11 -0.34 0.51 0.12 0.52 0.00 0.00 175.17 176.09 1d0i s PHE 53 N 0.76 3.31 0.02 -5.34 2.19 -1.26 -0.95 117.98 116.71 1d0i s PHE 53 Ca 0.13 0.68 -0.00 0.00 0.33 0.00 0.00 56.93 58.07 1d0i s PHE 53 Cb -0.21 -2.70 -0.02 0.00 -1.31 0.00 0.00 43.02 38.78 1d0i s PHE 53 CO -0.09 -0.21 -0.03 1.03 1.83 0.00 0.00 175.22 177.74 1d0i s ARG 54 N 2.05 0.36 -0.00 10.12 0.52 0.08 -4.97 118.95 127.11 1d0i s ARG 54 Ca 0.22 -0.71 0.01 0.00 -0.52 0.00 0.00 55.73 54.73 1d0i s ARG 54 Cb -0.15 0.12 -0.00 0.00 0.52 0.00 0.00 34.95 35.43 1d0i s ARG 54 CO 0.09 -0.06 -0.02 -1.14 0.02 0.00 0.00 175.30 174.19 1d0i s GLN 55 N -1.85 0.17 -0.01 3.54 -0.44 -1.26 -1.10 119.66 118.72 1d0i s GLN 55 Ca -0.12 -0.08 -0.14 0.00 -2.50 0.00 0.00 55.36 52.52 1d0i s GLN 55 Cb -0.07 -0.16 0.02 0.00 -1.64 0.00 0.00 33.01 31.16 1d0i s GLN 55 CO -0.02 0.04 0.29 0.45 0.50 0.00 0.00 175.29 176.55 1d0i s SER 56 N -0.06 -0.15 0.00 6.67 0.15 -0.63 -4.98 113.70 114.70 1d0i s SER 56 Ca 0.01 0.01 0.25 0.00 0.70 0.00 0.00 55.95 56.92 1d0i s SER 56 Cb -0.01 0.30 0.49 0.00 -1.71 0.00 0.00 66.02 65.10 1d0i s SER 56 CO -0.00 -0.46 1.40 0.59 1.20 0.00 0.00 173.24 175.97 1d0i n ASN 57 N 1.21 1.11 -4.49 5.45 3.02 -1.26 -2.89 115.26 117.42 1d0i n ASN 57 Ca -0.21 -0.90 -0.37 0.00 -0.03 0.00 0.00 54.58 53.07 1d0i n ASN 57 Cb 0.56 0.29 -0.12 0.00 -0.61 0.00 0.00 39.78 39.90 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 -2.63 3.13 0.20 3.10 3.76 -1.26 -4.74 115.29 116.85 1d0i s HIS 58 Ca 0.20 -0.26 -0.10 0.00 -0.15 0.00 0.00 55.06 54.74 1d0i s HIS 58 Cb 0.18 -2.28 0.25 0.00 1.11 0.00 0.00 32.58 31.84 1d0i s HIS 58 CO 0.59 -0.30 1.74 1.49 -0.85 0.00 0.00 174.74 177.41 1d0i h GLU 59 N 8.27 0.38 -0.67 1.40 4.81 -2.00 -1.20 114.58 125.56 1d0i h GLU 59 Ca -0.37 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.82 1d0i h GLU 59 Cb 1.18 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.44 1d0i h GLU 59 CO 0.57 0.25 0.38 0.78 -0.73 0.00 0.00 179.01 180.26 1d0i h GLY 60 N 0.39 0.98 0.97 1.92 0.00 -1.99 -1.69 103.07 103.65 1d0i h GLY 60 Ca 0.29 -0.42 -0.10 0.00 0.00 0.00 0.00 47.33 47.10 1d0i h GLY 60 CO -0.29 0.40 -0.18 -2.09 0.00 0.00 0.00 176.54 174.38 1d0i h GLU 61 N 0.93 0.73 -0.94 4.80 4.81 -1.80 -0.58 114.58 122.54 1d0i h GLU 61 Ca 0.24 -0.33 0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1d0i h GLU 61 Cb -0.00 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.31 1d0i h GLU 61 CO -0.04 0.94 0.62 -0.07 -0.73 0.00 0.00 179.01 179.72 1d0i h LEU 62 N 0.51 1.05 -0.09 1.64 3.38 -0.69 0.11 115.31 121.21 1d0i h LEU 62 Ca 0.07 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1d0i h LEU 62 Cb 0.73 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1d0i h LEU 62 CO 0.05 0.75 0.06 0.58 0.09 0.00 0.00 178.44 179.97 1d0i h VAL 63 N 1.24 1.06 -0.62 1.22 2.07 -1.18 -0.12 116.25 119.91 1d0i h VAL 63 Ca 0.35 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.82 1d0i h VAL 63 Cb -0.10 0.98 -0.07 0.00 -1.52 0.00 0.00 31.29 30.58 1d0i h VAL 63 CO -0.09 0.05 0.24 0.44 0.02 0.00 0.00 177.57 178.23 1d0i h ASP 64 N 0.09 0.24 -0.65 0.57 3.32 -0.64 -1.64 116.42 117.72 1d0i h ASP 64 Ca 0.03 0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 1d0i h ASP 64 Cb 0.03 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1d0i h ASP 64 CO -0.01 0.14 0.08 -0.50 -1.72 0.00 0.00 179.24 177.23 1d0i h TRP 65 N 0.42 1.17 -0.92 4.55 6.55 -0.48 -2.32 115.95 124.92 1d0i h TRP 65 Ca 0.31 -0.17 -0.01 0.00 0.95 0.00 0.00 58.89 59.97 1d0i h TRP 65 Cb 0.38 -0.32 -0.04 0.00 -0.86 0.00 0.00 29.16 28.32 1d0i h TRP 65 CO -0.16 0.99 0.55 0.82 -1.05 0.00 0.00 178.44 179.59 1d0i h ILE 66 N 1.01 1.26 -0.76 1.49 2.04 -0.36 -1.33 117.51 120.85 1d0i h ILE 66 Ca 0.19 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 1d0i h ILE 66 Cb 0.48 -0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.48 1d0i h ILE 66 CO 0.02 0.27 0.47 0.45 0.00 0.00 0.00 178.15 179.36 1d0i h HIS 67 N 1.28 1.00 -0.55 1.37 3.86 -0.98 -2.16 115.15 118.97 1d0i h HIS 67 Ca 0.33 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.57 1d0i h HIS 67 Cb -0.04 -0.33 -0.04 0.00 1.06 0.00 0.00 27.41 28.06 1d0i h HIS 67 CO 0.01 0.66 0.32 1.49 0.86 0.00 0.00 177.93 181.27 1d0i h GLU 68 N 1.04 0.61 -0.85 2.45 4.81 -0.87 -2.58 114.58 119.20 1d0i h GLU 68 Ca 0.28 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.52 1d0i h GLU 68 Cb -0.05 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.14 1d0i h GLU 68 CO -0.05 0.41 0.55 0.00 -0.73 0.00 0.00 179.01 179.19 1d0i h ALA 69 N 1.25 1.52 -0.94 2.92 0.00 -0.82 -1.61 119.26 121.58 1d0i h ALA 69 Ca 0.22 -0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.30 1d0i h ALA 69 Cb 0.04 -0.27 -0.11 0.00 0.00 0.00 0.00 17.79 17.45 1d0i h ALA 69 CO -0.11 0.38 0.50 0.00 0.00 0.00 0.00 179.25 180.02 1d0i h ARG 70 N 1.00 0.56 0.00 0.00 3.08 -0.97 -1.81 114.38 116.24 1d0i h ARG 70 Ca 0.35 -0.03 -0.19 0.00 0.07 0.00 0.00 59.98 60.18 1d0i h ARG 70 Cb 0.11 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 1d0i h ARG 70 CO -0.11 0.37 -1.85 1.28 -1.07 0.00 0.00 179.97 178.59 1d0i n LEU 71 N -4.90 0.39 -0.00 3.04 4.77 -0.87 -4.73 117.00 114.70 1d0i n LEU 71 Ca 0.22 0.17 0.01 0.00 -0.03 0.00 0.00 56.01 56.39 1d0i n LEU 71 Cb 0.61 0.18 -0.01 0.00 -2.33 0.00 0.00 43.42 41.87 1d0i n LEU 71 CO 0.17 0.21 -0.00 0.59 -1.33 0.00 0.00 177.39 177.04 1d0i n ASN 72 N -2.69 0.13 -4.49 -1.43 3.02 -0.66 -5.07 115.26 104.06 1d0i n ASN 72 Ca -0.15 -0.56 -0.24 0.00 -0.03 0.00 0.00 54.58 53.60 1d0i n ASN 72 Cb 0.87 0.98 -0.10 0.00 -0.61 0.00 0.00 39.78 40.92 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 -1.21 2.18 -0.54 3.10 3.76 -0.70 -4.40 115.29 117.49 1d0i s HIS 73 Ca 0.01 -0.63 0.23 0.00 -0.15 0.00 0.00 55.06 54.52 1d0i s HIS 73 Cb 0.02 -1.28 0.09 0.00 1.11 0.00 0.00 32.58 32.51 1d0i s HIS 73 CO 0.10 0.41 1.06 0.00 -0.85 0.00 0.00 174.74 175.46 1d0i s GLY 75 N -3.80 -0.47 -0.08 0.00 0.00 -1.26 -4.43 107.32 97.28 1d0i s GLY 75 Ca 0.03 0.94 0.01 0.00 0.00 0.00 0.00 44.72 45.70 1d0i s GLY 75 CO 0.79 0.18 -0.09 -0.42 0.00 0.00 0.00 173.10 173.57 1d0i s ILE 76 N -2.11 0.95 -0.30 0.90 1.01 -0.13 -1.42 121.20 120.09 1d0i s ILE 76 Ca 0.15 -0.32 -0.13 0.00 0.00 0.00 0.00 60.65 60.34 1d0i s ILE 76 Cb 0.07 -0.92 -0.03 0.00 0.01 0.00 0.00 42.46 41.58 1d0i s ILE 76 CO -0.06 0.33 0.29 -0.69 0.00 0.00 0.00 174.94 174.81 1d0i s VAL 77 N 1.12 5.23 -0.06 2.92 1.01 0.10 -1.27 120.40 129.45 1d0i s VAL 77 Ca -0.07 0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.13 1d0i s VAL 77 Cb -0.14 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.56 1d0i s VAL 77 CO -0.01 0.09 -0.15 -0.51 0.00 0.00 0.00 175.10 174.52 1d0i s ILE 78 N 1.91 1.33 -0.52 2.22 2.07 -0.16 -0.25 121.20 127.80 1d0i s ILE 78 Ca 0.10 -0.62 -0.05 0.00 -1.41 0.00 0.00 60.65 58.68 1d0i s ILE 78 Cb -0.16 -1.18 0.14 0.00 0.13 0.00 0.00 42.46 41.38 1d0i s ILE 78 CO 0.11 0.39 0.35 0.21 -1.91 0.00 0.00 174.94 174.09 1d0i s ASN 79 N 0.41 5.42 0.02 4.50 3.84 -0.27 -0.45 114.94 128.42 1d0i s ASN 79 Ca -0.12 -2.33 0.23 0.00 0.21 0.00 0.00 52.86 50.85 1d0i s ASN 79 Cb -0.15 -1.90 0.97 0.00 -0.55 0.00 0.00 41.25 39.63 1d0i s ASN 79 CO 0.04 -0.52 1.74 -0.81 -2.79 0.00 0.00 177.10 174.76 1d0i n PRO 80 N 4.24 0.02 0.00 0.43 -0.05 -1.26 0.12 135.00 138.50 1d0i n PRO 80 Ca 0.01 0.12 0.00 0.00 -0.05 0.00 0.00 63.50 63.58 1d0i n PRO 80 Cb 0.40 -1.53 0.00 0.00 -0.05 0.00 0.00 33.50 32.32 1d0i n PRO 80 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1d0i n ALA 81 N -1.53 0.00 -0.21 0.55 0.00 -1.26 -1.60 120.51 116.46 1d0i n ALA 81 Ca 0.05 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.76 1d0i n ALA 81 Cb 0.28 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.40 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 -0.55 2.72 0.00 0.00 0.00 -1.94 -0.75 119.26 118.74 1d0i h ALA 82 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1d0i h ALA 82 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1d0i h ALA 82 CO 0.00 -1.00 0.00 0.66 0.00 0.00 0.00 179.25 178.91 1d0i n TYR 83 N -4.33 0.77 -0.27 0.00 4.01 -0.63 -2.08 117.16 114.64 1d0i n TYR 83 Ca 0.20 0.31 0.02 0.00 -0.16 0.00 0.00 57.90 58.27 1d0i n TYR 83 Cb 0.94 -1.01 0.15 0.00 -0.31 0.00 0.00 39.34 39.11 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 0.56 1.09 7.72 0.02 -1.18 -0.30 113.55 121.47 1d0i h SER 84 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1d0i h SER 84 Cb 0.32 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1d0i h SER 84 CO 0.00 0.31 -0.45 0.45 -1.14 0.00 0.00 176.83 176.01 1d0i h HIS 85 N 0.68 0.00 0.00 3.45 3.86 -1.59 -0.16 115.15 121.39 1d0i h HIS 85 Ca 0.37 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.58 1d0i h HIS 85 Cb 0.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1d0i h HIS 85 CO -0.09 0.00 -0.75 0.25 0.86 0.00 0.00 177.93 178.20 1d0i n THR 86 N -2.23 0.00 -3.19 2.45 -2.24 -1.04 -4.84 114.28 103.19 1d0i n THR 86 Ca 0.04 -0.04 -0.46 0.00 -2.27 0.00 0.00 64.05 61.32 1d0i n THR 86 Cb 0.45 0.48 -0.03 0.00 -2.10 0.00 0.00 70.33 69.13 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 -1.59 6.46 0.33 3.42 0.15 -0.15 -4.82 113.70 117.50 1d0i s SER 87 Ca 0.00 -2.03 0.10 0.00 0.70 0.00 0.00 55.95 54.72 1d0i s SER 87 Cb 0.00 -2.27 0.57 0.00 -1.71 0.00 0.00 66.02 62.61 1d0i s SER 87 CO 0.00 -0.88 1.75 0.58 1.20 0.00 0.00 173.24 175.89 1d0i h VAL 88 N 5.51 1.31 -0.94 4.45 2.07 -1.94 -2.83 116.25 123.88 1d0i h VAL 88 Ca -0.08 -1.47 0.02 0.00 0.82 0.00 0.00 66.70 65.98 1d0i h VAL 88 Cb 1.06 1.73 -0.05 0.00 -1.52 0.00 0.00 31.29 32.52 1d0i h VAL 88 CO 0.97 0.43 0.62 0.00 0.02 0.00 0.00 177.57 179.61 1d0i h ALA 89 N 1.50 1.20 -0.43 1.67 0.00 -1.97 -0.19 119.26 121.03 1d0i h ALA 89 Ca 0.01 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1d0i h ALA 89 Cb 0.77 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1d0i h ALA 89 CO 0.06 0.56 -0.15 0.82 0.00 0.00 0.00 179.25 180.53 1d0i h ILE 90 N 1.25 1.27 -0.21 0.00 2.04 -1.89 -1.19 117.51 118.79 1d0i h ILE 90 Ca 0.35 -1.28 0.05 0.00 1.00 0.00 0.00 64.86 64.98 1d0i h ILE 90 Cb -0.11 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 1d0i h ILE 90 CO -0.09 0.43 -0.08 0.25 0.00 0.00 0.00 178.15 178.66 1d0i h LEU 91 N 0.69 -0.29 -1.44 1.44 5.85 -1.23 -1.23 115.31 119.10 1d0i h LEU 91 Ca 0.10 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 1d0i h LEU 91 Cb 0.70 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 1d0i h LEU 91 CO 0.05 -0.11 0.16 0.44 -0.34 0.00 0.00 178.44 178.64 1d0i h ASP 92 N -0.05 0.48 -0.21 1.25 3.32 -0.88 -0.75 116.42 119.58 1d0i h ASP 92 Ca 0.11 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 1d0i h ASP 92 Cb 0.22 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1d0i h ASP 92 CO -0.25 0.43 0.04 0.00 -1.72 0.00 0.00 179.24 177.74 1d0i h ALA 93 N 1.65 0.27 0.00 3.45 0.00 -0.77 -1.59 119.26 122.27 1d0i h ALA 93 Ca 0.13 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1d0i h ALA 93 Cb 0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1d0i h ALA 93 CO -0.02 -0.06 -0.17 -0.07 0.00 0.00 0.00 179.25 178.93 1d0i h LEU 94 N 0.14 0.00 -0.92 0.00 3.38 -0.73 -2.39 115.31 114.79 1d0i h LEU 94 Ca 0.06 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1d0i h LEU 94 Cb 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1d0i h LEU 94 CO 0.00 0.17 -0.12 0.78 0.09 0.00 0.00 178.44 179.37 1d0i h ASN 95 N 0.00 0.00 0.73 -0.43 2.35 -0.23 -3.19 115.58 114.81 1d0i h ASN 95 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1d0i h ASN 95 Cb 0.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.71 1d0i h ASN 95 CO 0.02 0.12 0.00 0.71 -1.65 0.00 0.00 177.43 176.63 1d0i h THR 96 N 0.00 0.00 -3.25 2.81 1.35 -0.79 -3.36 112.91 109.67 1d0i h THR 96 Ca -0.00 -0.27 -0.61 0.00 -0.55 0.00 0.00 66.41 64.98 1d0i h THR 96 Cb 0.77 1.04 -0.40 0.00 -1.73 0.00 0.00 68.15 67.83 1d0i h THR 96 CO 0.02 0.00 -0.74 0.00 -0.25 0.00 0.00 175.52 174.54 1d0i h ASP 98 N 7.70 0.65 0.10 0.00 3.32 -1.83 -3.13 116.42 123.23 1d0i h ASP 98 Ca -0.09 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1d0i h ASP 98 Cb 1.00 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.40 1d0i h ASP 98 CO 0.49 0.44 -0.39 0.61 -1.72 0.00 0.00 179.24 178.66 1d0i n GLY 99 N -1.45 -0.29 3.68 2.75 0.00 -1.26 -4.92 105.19 103.70 1d0i n GLY 99 Ca 0.09 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 1d0i n GLY 99 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1d0i s LEU 100 N -2.51 4.27 0.15 0.99 2.96 -1.19 -4.95 118.68 118.41 1d0i s LEU 100 Ca 0.21 1.92 -0.31 0.00 -0.22 0.00 0.00 54.13 55.72 1d0i s LEU 100 Cb 0.19 -3.55 -0.09 0.00 0.50 0.00 0.00 46.19 43.23 1d0i s LEU 100 CO 0.56 -0.69 1.46 -2.84 -1.32 0.00 0.00 176.35 173.52 1d0i s PRO 101 N 2.69 4.28 -0.05 0.98 0.02 -1.26 -4.92 135.00 136.73 1d0i s PRO 101 Ca 0.59 2.21 0.02 0.00 0.02 0.00 0.00 61.00 63.84 1d0i s PRO 101 Cb -0.27 -3.20 0.01 0.00 0.02 0.00 0.00 34.50 31.06 1d0i s PRO 101 CO 0.22 -0.50 -0.11 0.08 -0.33 0.00 0.00 177.00 176.36 1d0i s VAL 102 N 1.01 1.00 -0.08 3.83 1.01 -1.26 -0.95 120.40 124.96 1d0i s VAL 102 Ca 0.66 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 62.22 1d0i s VAL 102 Cb -0.40 -0.91 0.02 0.00 0.00 0.00 0.00 36.38 35.09 1d0i s VAL 102 CO 0.32 0.32 -0.09 -0.69 0.00 0.00 0.00 175.10 174.95 1d0i s VAL 103 N 0.48 0.99 -0.04 2.92 1.01 -0.40 -0.14 120.40 125.21 1d0i s VAL 103 Ca -0.10 -0.34 -0.18 0.00 0.00 0.00 0.00 61.98 61.37 1d0i s VAL 103 Cb -0.13 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.24 1d0i s VAL 103 CO 0.02 0.34 0.50 -0.70 0.00 0.00 0.00 175.10 175.26 1d0i s GLU 104 N 1.14 4.22 -0.05 2.72 2.12 -0.06 -0.99 118.70 127.81 1d0i s GLU 104 Ca -0.06 0.54 0.03 0.00 0.36 0.00 0.00 54.97 55.84 1d0i s GLU 104 Cb -0.14 -3.34 0.00 0.00 0.26 0.00 0.00 34.13 30.91 1d0i s GLU 104 CO -0.02 0.38 -0.14 0.08 -0.54 0.00 0.00 175.26 175.03 1d0i s VAL 105 N -0.15 1.21 -0.09 3.70 1.01 0.41 -0.29 120.40 126.20 1d0i s VAL 105 Ca 0.27 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.72 1d0i s VAL 105 Cb -0.17 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 35.15 1d0i s VAL 105 CO 0.14 0.36 -0.20 -1.00 0.00 0.00 0.00 175.10 174.39 1d0i s HIS 106 N 0.30 2.20 -0.03 5.22 3.76 0.10 -4.04 115.29 122.80 1d0i s HIS 106 Ca -0.08 -0.86 -0.26 0.00 -0.15 0.00 0.00 55.06 53.72 1d0i s HIS 106 Cb -0.13 -1.50 -0.20 0.00 1.11 0.00 0.00 32.58 31.86 1d0i s HIS 106 CO 0.03 -0.36 1.22 0.82 -0.85 0.00 0.00 174.74 175.60 1d0i h ILE 107 N 5.72 1.43 -4.30 0.60 2.04 -1.85 -1.95 117.51 119.20 1d0i h ILE 107 Ca -0.24 -1.31 -0.50 0.00 1.00 0.00 0.00 64.86 63.81 1d0i h ILE 107 Cb 1.22 2.27 0.05 0.00 -0.74 0.00 0.00 36.82 39.62 1d0i h ILE 107 CO 0.47 0.34 0.40 -0.94 0.00 0.00 0.00 178.15 178.43 1d0i s SER 108 N -5.81 6.29 -0.81 1.72 1.04 -1.26 -2.35 113.70 112.53 1d0i s SER 108 Ca -0.16 1.42 -0.21 0.00 0.48 0.00 0.00 55.95 57.48 1d0i s SER 108 Cb 0.02 -2.47 0.09 0.00 0.10 0.00 0.00 66.02 63.76 1d0i s SER 108 CO 0.69 -0.81 1.09 0.21 0.98 0.00 0.00 173.24 175.39 1d0i s ASN 109 N -4.00 6.39 0.62 7.02 3.84 -1.26 -1.05 114.94 126.50 1d0i s ASN 109 Ca 0.55 -1.45 0.34 0.00 0.21 0.00 0.00 52.86 52.51 1d0i s ASN 109 Cb -0.11 -2.43 1.93 0.00 -0.55 0.00 0.00 41.25 40.10 1d0i s ASN 109 CO 0.50 -1.31 2.20 0.16 -2.79 0.00 0.00 177.10 175.86 1d0i h ILE 110 N 6.00 0.28 0.00 -5.21 3.07 -1.92 -2.05 117.51 117.67 1d0i h ILE 110 Ca -0.06 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.35 1d0i h ILE 110 Cb 1.05 0.90 0.00 0.00 -0.27 0.00 0.00 36.82 38.50 1d0i h ILE 110 CO 1.18 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 179.69 1d0i n HIS 111 N -3.48 0.00 0.75 0.16 8.25 -1.26 -2.54 115.22 117.10 1d0i n HIS 111 Ca -0.01 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.56 1d0i n HIS 111 Cb 0.20 -0.46 0.12 0.00 1.12 0.00 0.00 29.99 30.97 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 -1.46 2.20 0.00 -0.41 6.02 -0.77 -4.99 117.38 117.97 1d0i n GLN 112 Ca 0.06 -1.95 0.00 0.00 -0.01 0.00 0.00 57.00 55.10 1d0i n GLN 112 Cb 0.23 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 30.05 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 1.30 3.46 -1.51 -1.09 1.74 -1.05 -5.08 116.66 114.43 1d0i n ARG 113 Ca 0.15 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.87 1d0i n ARG 113 Cb 0.57 0.00 0.09 0.00 -1.02 0.00 0.00 32.46 32.10 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 2.66 2.22 0.46 5.56 8.01 -1.26 -4.87 118.70 131.47 1d0i s GLU 114 Ca 0.00 1.93 0.14 0.00 0.01 0.00 0.00 54.97 57.05 1d0i s GLU 114 Cb 0.00 -1.82 1.10 0.00 -4.31 0.00 0.00 34.13 29.10 1d0i s GLU 114 CO 0.00 -1.82 2.05 -1.35 0.01 0.00 0.00 175.26 174.15 1d0i h PRO 115 N -0.00 0.28 0.00 0.39 0.11 -1.97 -0.03 132.00 130.77 1d0i h PRO 115 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1d0i h PRO 115 Cb 1.32 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1d0i h PRO 115 CO 0.50 0.18 0.00 0.27 -0.21 0.00 0.00 178.00 178.75 1d0i h PHE 116 N 0.28 0.00 -0.01 0.65 -5.15 -1.97 -2.27 116.94 108.47 1d0i h PHE 116 Ca 0.17 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.94 1d0i h PHE 116 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.48 1d0i h PHE 116 CO -0.00 0.00 -0.18 0.54 -2.00 0.00 0.00 178.31 176.67 1d0i n ARG 117 N -2.82 0.74 0.17 6.09 1.74 -0.03 -4.02 116.66 118.54 1d0i n ARG 117 Ca 0.00 -0.34 0.04 0.00 -0.77 0.00 0.00 57.85 56.78 1d0i n ARG 117 Cb 0.24 -1.49 0.28 0.00 -1.02 0.00 0.00 32.46 30.47 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 0.84 0.00 -2.85 -1.55 3.86 -1.46 -3.44 115.15 110.55 1d0i h HIS 118 Ca 0.00 0.00 -0.64 0.00 -1.16 0.00 0.00 60.37 58.57 1d0i h HIS 118 Cb 0.43 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.83 1d0i h HIS 118 CO 0.00 0.44 -0.37 -1.58 0.86 0.00 0.00 177.93 177.28 1d0i s HIS 119 N -3.56 3.62 -0.08 2.45 5.65 -1.26 -4.91 115.29 117.21 1d0i s HIS 119 Ca 0.00 0.68 0.00 0.00 0.25 0.00 0.00 55.06 56.00 1d0i s HIS 119 Cb 0.11 -2.10 0.02 0.00 -1.18 0.00 0.00 32.58 29.43 1d0i s HIS 119 CO 0.71 0.64 -0.07 0.45 -0.65 0.00 0.00 174.74 175.82 1d0i s SER 120 N -0.85 1.64 0.33 9.88 0.15 -1.26 -4.25 113.70 119.35 1d0i s SER 120 Ca 0.18 -0.22 0.08 0.00 0.70 0.00 0.00 55.95 56.69 1d0i s SER 120 Cb -0.14 -0.66 0.59 0.00 -1.71 0.00 0.00 66.02 64.10 1d0i s SER 120 CO 0.07 -0.08 1.78 1.88 1.20 0.00 0.00 173.24 178.09 1d0i h TYR 121 N 7.63 0.23 -0.28 3.44 0.05 -1.34 -2.95 116.97 123.75 1d0i h TYR 121 Ca -0.31 -0.05 -0.05 0.00 0.05 0.00 0.00 58.73 58.38 1d0i h TYR 121 Cb 1.15 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.82 1d0i h TYR 121 CO 0.48 0.51 -0.04 0.28 -1.05 0.00 0.00 178.16 178.35 1d0i h VAL 122 N 0.18 1.19 0.00 -2.88 2.07 -1.87 -2.79 116.25 112.15 1d0i h VAL 122 Ca 0.02 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 1d0i h VAL 122 Cb 0.66 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1d0i h VAL 122 CO 0.05 0.25 -0.01 0.28 0.02 0.00 0.00 177.57 178.16 1d0i h SER 123 N 0.41 0.00 1.07 0.57 0.02 -1.88 -0.38 113.55 113.37 1d0i h SER 123 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1d0i h SER 123 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 1d0i h SER 123 CO 0.01 0.01 -0.09 0.00 -1.14 0.00 0.00 176.83 175.62 1d0i n GLN 124 N -3.45 0.09 -0.08 3.45 10.64 -1.05 -3.71 117.38 123.27 1d0i n GLN 124 Ca -0.03 0.07 -0.11 0.00 -1.83 0.00 0.00 57.00 55.09 1d0i n GLN 124 Cb 0.10 -1.60 -0.08 0.00 -0.86 0.00 0.00 30.24 27.80 1d0i n GLN 124 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 1d0i n ARG 125 N -1.75 0.60 -1.59 2.61 3.00 -0.48 -5.03 116.66 114.01 1d0i n ARG 125 Ca 0.06 0.09 -0.45 0.00 -0.00 0.00 0.00 57.85 57.55 1d0i n ARG 125 Cb 0.37 -1.35 -0.02 0.00 0.00 0.00 0.00 32.46 31.47 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 -2.95 -0.19 -1.54 5.13 0.00 -0.27 -4.86 120.51 115.83 1d0i n ALA 126 Ca -0.30 0.39 -0.29 0.00 0.00 0.00 0.00 53.44 53.24 1d0i n ALA 126 Cb 0.84 -2.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.23 1d0i n ALA 126 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1d0i n ASP 127 N 1.25 6.68 0.00 0.00 8.00 0.80 -4.79 116.55 128.48 1d0i n ASP 127 Ca 0.10 -3.32 0.00 0.00 0.71 0.00 0.00 54.79 52.27 1d0i n ASP 127 Cb 0.32 -1.19 0.00 0.00 -0.02 0.00 0.00 41.12 40.22 1d0i n ASP 127 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1d0i n GLY 128 N 0.58 4.47 2.92 0.44 0.00 -1.25 -4.75 105.19 107.60 1d0i n GLY 128 Ca 0.49 -1.15 -0.25 0.00 0.00 0.00 0.00 46.02 45.11 1d0i n GLY 128 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1d0i s VAL 129 N -1.00 0.94 -0.21 1.61 1.01 -1.26 -0.88 120.40 120.61 1d0i s VAL 129 Ca 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 61.98 61.68 1d0i s VAL 129 Cb 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.45 1d0i s VAL 129 CO 0.00 0.34 -0.09 -0.69 0.00 0.00 0.00 175.10 174.65 1d0i s VAL 130 N 1.34 2.93 0.04 2.92 1.01 0.60 -4.99 120.40 124.24 1d0i s VAL 130 Ca -0.03 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.34 1d0i s VAL 130 Cb -0.14 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 1d0i s VAL 130 CO -0.04 0.44 -0.19 0.00 0.00 0.00 0.00 175.10 175.31 1d0i s ALA 131 N 1.41 1.59 -1.11 5.51 0.00 -1.26 0.03 121.76 127.92 1d0i s ALA 131 Ca 0.05 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1d0i s ALA 131 Cb -0.14 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.68 1d0i s ALA 131 CO -0.06 0.35 0.00 0.41 0.00 0.00 0.00 175.76 176.45 1d0i n GLY 132 N 1.91 1.15 1.80 0.00 0.00 -0.22 -4.78 105.19 105.05 1d0i n GLY 132 Ca -0.17 -0.33 0.07 0.00 0.00 0.00 0.00 46.02 45.58 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 0.59 0.81 0.26 0.00 0.00 -0.99 -2.77 105.19 103.09 1d0i n GLY 134 Ca 0.26 -0.84 0.18 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.87 -1.52 116.25 112.95 1d0i h VAL 135 Ca 0.00 -0.11 -0.02 0.00 -1.23 0.00 0.00 66.70 65.33 1d0i h VAL 135 Cb 0.00 0.95 -0.00 0.00 -2.13 0.00 0.00 31.29 30.10 1d0i h VAL 135 CO 0.00 0.00 -0.10 -0.61 -1.23 0.00 0.00 177.57 175.63 1d0i h GLN 136 N 0.00 0.00 0.00 5.19 4.15 -1.95 -1.86 115.11 120.64 1d0i h GLN 136 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 1d0i h GLN 136 Cb 0.13 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.82 1d0i h GLN 136 CO 0.00 0.10 -0.03 0.78 -1.93 0.00 0.00 178.83 177.75 1d0i h GLY 137 N 0.39 0.00 1.67 2.39 0.00 -1.09 0.25 103.07 106.69 1d0i h GLY 137 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 1d0i h GLY 137 CO 0.01 0.00 -0.39 -0.97 0.00 0.00 0.00 176.54 175.19 1d0i h TYR 138 N 0.00 0.43 -0.46 5.60 -1.99 -1.54 0.72 116.97 119.74 1d0i h TYR 138 Ca -0.00 -0.12 -0.06 0.00 2.00 0.00 0.00 58.73 60.56 1d0i h TYR 138 Cb 0.15 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 38.77 1d0i h TYR 138 CO 0.00 0.71 0.06 0.28 -0.00 0.00 0.00 178.16 179.21 1d0i h VAL 139 N 0.31 1.25 -0.82 -2.88 2.07 -1.07 -0.90 116.25 114.22 1d0i h VAL 139 Ca 0.03 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 1d0i h VAL 139 Cb 0.82 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 1d0i h VAL 139 CO 0.07 0.33 0.49 -0.26 0.02 0.00 0.00 177.57 178.21 1d0i h PHE 140 N 0.63 1.09 -0.37 1.57 0.04 -0.98 -0.44 116.94 118.48 1d0i h PHE 140 Ca 0.14 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.91 1d0i h PHE 140 Cb 0.41 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 38.18 1d0i h PHE 140 CO 0.03 0.74 0.24 0.78 -0.60 0.00 0.00 178.31 179.49 1d0i h GLY 141 N 1.13 0.52 0.85 -1.45 0.00 -0.46 -0.75 103.07 102.90 1d0i h GLY 141 Ca 0.29 -0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.45 1d0i h GLY 141 CO -0.05 0.17 -0.03 -2.08 0.00 0.00 0.00 176.54 174.55 1d0i h VAL 142 N 0.48 0.90 -1.00 4.60 2.07 -0.80 -0.73 116.25 121.77 1d0i h VAL 142 Ca 0.14 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.77 1d0i h VAL 142 Cb -0.04 0.90 -0.08 0.00 -1.52 0.00 0.00 31.29 30.55 1d0i h VAL 142 CO -0.04 0.00 0.63 -0.33 0.02 0.00 0.00 177.57 177.85 1d0i h GLU 143 N -0.03 0.99 -0.33 1.57 5.08 -0.82 -0.41 114.58 120.63 1d0i h GLU 143 Ca 0.03 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.23 1d0i h GLU 143 Cb 0.08 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1d0i h GLU 143 CO -0.07 0.65 -0.20 -0.09 -1.00 0.00 0.00 179.01 178.30 1d0i h ARG 144 N 1.02 0.72 -0.53 2.33 9.65 -0.86 -1.14 114.38 125.57 1d0i h ARG 144 Ca 0.49 -0.33 0.05 0.00 -1.10 0.00 0.00 59.98 59.08 1d0i h ARG 144 Cb 0.45 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 28.97 1d0i h ARG 144 CO -0.25 0.94 0.27 0.82 2.80 0.00 0.00 179.97 184.56 1d0i h ILE 145 N 0.49 0.96 -0.80 1.20 1.08 -0.64 -0.05 117.51 119.74 1d0i h ILE 145 Ca 0.07 -0.18 0.03 0.00 -0.39 0.00 0.00 64.86 64.39 1d0i h ILE 145 Cb 0.75 0.38 -0.05 0.00 -3.07 0.00 0.00 36.82 34.84 1d0i h ILE 145 CO 0.06 0.10 0.52 0.00 -0.69 0.00 0.00 178.15 178.13 1d0i h ALA 146 N 1.29 1.05 -0.17 1.87 0.00 -0.95 0.29 119.26 122.65 1d0i h ALA 146 Ca 0.24 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1d0i h ALA 146 Cb 0.14 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1d0i h ALA 146 CO -0.16 0.34 -0.40 0.00 0.00 0.00 0.00 179.25 179.03 1d0i h ALA 147 N 1.33 1.00 0.06 0.00 0.00 -0.70 -2.46 119.26 118.49 1d0i h ALA 147 Ca 0.32 -0.42 -0.24 0.00 0.00 0.00 0.00 54.91 54.57 1d0i h ALA 147 Cb -0.00 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 17.71 1d0i h ALA 147 CO -0.11 0.61 -0.96 -0.07 0.00 0.00 0.00 179.25 178.72 1d0i h LEU 148 N 0.32 0.75 -0.21 0.00 3.38 0.03 -2.20 115.31 117.38 1d0i h LEU 148 Ca 0.03 -0.80 -0.01 0.00 0.09 0.00 0.00 57.88 57.20 1d0i h LEU 148 Cb 0.85 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1d0i h LEU 148 CO 0.07 1.46 0.11 0.00 0.09 0.00 0.00 178.44 180.17 1d0i h ALA 149 N 0.30 0.27 -0.07 1.53 0.00 -0.48 -2.88 119.26 117.93 1d0i h ALA 149 Ca -0.14 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1d0i h ALA 149 Cb 1.66 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 1d0i h ALA 149 CO 0.19 -0.19 -0.15 0.78 0.00 0.00 0.00 179.25 179.87 1d0i h GLY 150 N 0.22 0.12 -1.32 0.00 0.00 -1.50 -3.45 103.07 97.14 1d0i h GLY 150 Ca 0.07 -0.07 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 1d0i h GLY 150 CO -0.01 0.07 0.35 0.00 0.00 0.00 0.00 176.54 176.95 1d0i s ALA 151 N -4.69 2.54 -0.30 3.60 0.00 -0.83 -4.99 121.76 117.09 1d0i s ALA 151 Ca -0.05 0.12 0.12 0.00 0.00 0.00 0.00 51.96 52.15 1d0i s ALA 151 Cb 0.16 -3.20 0.47 0.00 0.00 0.00 0.00 23.12 20.55 1d0i s ALA 151 CO 0.71 -1.40 1.15 0.41 0.00 0.00 0.00 175.76 176.63 1d0i n GLY 152 N -1.78 4.82 0.00 0.00 0.00 -1.26 -4.99 105.19 101.99 1d0i n GLY 152 Ca 0.08 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.94 1d0i n GLY 152 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06