#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 2.97 0.70 0.54 0.52 -1.26 -5.11 118.95 117.31 1d0i s ARG 2 Ca 0.00 -0.67 -0.09 0.00 -0.52 0.00 0.00 55.73 54.46 1d0i s ARG 2 Cb 0.00 -2.77 0.05 0.00 0.52 0.00 0.00 34.95 32.75 1d0i s ARG 2 CO 0.00 0.56 1.04 -1.54 0.02 0.00 0.00 175.30 175.39 1d0i s SER 3 N -2.49 5.03 0.36 0.23 1.04 -1.26 -4.51 113.70 112.09 1d0i s SER 3 Ca 0.30 0.71 0.07 0.00 0.48 0.00 0.00 55.95 57.52 1d0i s SER 3 Cb -0.12 -1.42 0.68 0.00 0.10 0.00 0.00 66.02 65.25 1d0i s SER 3 CO 0.23 -1.51 1.87 -0.07 0.98 0.00 0.00 173.24 174.74 1d0i h LEU 4 N -0.62 0.31 -0.74 2.42 4.07 -1.90 0.04 115.31 118.88 1d0i h LEU 4 Ca -0.45 -0.07 -0.12 0.00 0.08 0.00 0.00 57.88 57.32 1d0i h LEU 4 Cb 1.29 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.94 1d0i h LEU 4 CO 0.62 0.48 -0.28 0.00 -1.08 0.00 0.00 178.44 178.18 1d0i h ALA 5 N 1.56 0.92 0.00 1.53 0.00 -1.86 -3.29 119.26 118.12 1d0i h ALA 5 Ca 0.06 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1d0i h ALA 5 Cb 0.44 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1d0i h ALA 5 CO 0.03 0.62 -1.11 0.09 0.00 0.00 0.00 179.25 178.87 1d0i n ASN 6 N -4.09 0.73 -3.69 0.00 5.03 -0.84 -4.97 115.26 107.42 1d0i n ASN 6 Ca -0.00 0.26 -0.15 0.00 0.87 0.00 0.00 54.58 55.56 1d0i n ASN 6 Cb 0.45 0.64 -0.08 0.00 -1.02 0.00 0.00 39.78 39.77 1d0i n ASN 6 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1d0i s ALA 7 N -3.37 -1.07 0.74 5.41 0.00 -0.06 -4.91 121.76 118.50 1d0i s ALA 7 Ca -0.01 0.65 -0.11 0.00 0.00 0.00 0.00 51.96 52.49 1d0i s ALA 7 Cb 0.10 0.00 0.04 0.00 0.00 0.00 0.00 23.12 23.26 1d0i s ALA 7 CO 0.80 -0.29 1.08 -1.25 0.00 0.00 0.00 175.76 176.11 1d0i s PRO 8 N -1.19 2.51 -0.12 0.00 0.04 -1.26 -4.21 135.00 130.77 1d0i s PRO 8 Ca -0.12 1.13 -0.23 0.00 0.04 0.00 0.00 61.00 61.82 1d0i s PRO 8 Cb -0.04 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 1d0i s PRO 8 CO 0.06 -1.45 0.68 0.42 0.04 0.00 0.00 177.00 176.75 1d0i s ILE 9 N -2.89 5.03 -0.04 0.56 1.01 0.60 -1.26 121.20 124.20 1d0i s ILE 9 Ca 0.61 1.36 -0.28 0.00 0.00 0.00 0.00 60.65 62.33 1d0i s ILE 9 Cb -0.16 -4.01 -0.03 0.00 0.01 0.00 0.00 42.46 38.27 1d0i s ILE 9 CO 0.54 0.18 0.92 -0.32 0.00 0.00 0.00 174.94 176.27 1d0i s MET 10 N 1.30 4.50 -0.31 2.79 -2.45 -0.21 -0.56 119.30 124.37 1d0i s MET 10 Ca 0.34 1.28 0.02 0.00 -1.25 0.00 0.00 55.69 56.09 1d0i s MET 10 Cb -0.17 -3.48 0.08 0.00 1.25 0.00 0.00 34.83 32.51 1d0i s MET 10 CO 0.14 -0.09 -0.01 0.42 1.05 0.00 0.00 175.02 176.53 1d0i s ILE 11 N 1.20 2.41 -0.19 10.11 -1.09 -0.12 -1.06 121.20 132.45 1d0i s ILE 11 Ca 0.48 -1.89 -0.05 0.00 -2.23 0.00 0.00 60.65 56.95 1d0i s ILE 11 Cb -0.20 -2.56 -0.03 0.00 -1.58 0.00 0.00 42.46 38.10 1d0i s ILE 11 CO 0.23 -0.29 0.01 -0.76 -1.23 0.00 0.00 174.94 172.90 1d0i s LEU 12 N 1.05 3.39 -0.13 2.97 1.43 -0.41 -0.37 118.68 126.61 1d0i s LEU 12 Ca -0.00 -0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 1d0i s LEU 12 Cb -0.20 -1.85 0.01 0.00 0.03 0.00 0.00 46.19 44.18 1d0i s LEU 12 CO -0.05 0.11 -0.22 0.20 0.23 0.00 0.00 176.35 176.61 1d0i s ASN 13 N 0.75 3.15 0.80 2.29 0.01 -0.20 -1.08 114.94 120.67 1d0i s ASN 13 Ca 0.01 -0.59 0.00 0.00 -0.71 0.00 0.00 52.86 51.57 1d0i s ASN 13 Cb -0.14 -1.45 0.00 0.00 0.41 0.00 0.00 41.25 40.07 1d0i s ASN 13 CO 0.02 0.09 0.00 0.61 -1.51 0.00 0.00 177.10 176.31 1d0i n GLY 14 N 3.98 -1.71 3.76 0.66 0.00 0.36 -1.02 105.19 111.22 1d0i n GLY 14 Ca -0.20 -1.55 -0.38 0.00 0.00 0.00 0.00 46.02 43.89 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 -2.41 3.41 0.00 1.61 0.04 -1.06 -3.35 135.00 133.24 1d0i s PRO 15 Ca 0.00 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1d0i s PRO 15 Cb 0.00 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1d0i s PRO 15 CO 0.00 -0.94 0.00 0.09 0.04 0.00 0.00 177.00 176.19 1d0i n ASN 16 N -0.72 0.00 0.18 6.66 3.02 -1.26 -4.59 115.26 118.55 1d0i n ASN 16 Ca 0.09 0.00 0.14 0.00 -0.03 0.00 0.00 54.58 54.77 1d0i n ASN 16 Cb 0.45 -0.42 0.46 0.00 -0.61 0.00 0.00 39.78 39.66 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 -1.95 3.41 3.38 -1.92 -2.14 115.31 116.09 1d0i h LEU 17 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 1d0i h LEU 17 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1d0i h LEU 17 CO 0.00 0.00 0.27 -0.55 0.09 0.00 0.00 178.44 178.25 1d0i h ASN 18 N 0.00 0.05 -0.40 -0.43 -1.07 -1.88 -2.19 115.58 109.67 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 0.62 -0.01 0.00 0.00 -2.07 0.00 0.00 38.32 36.86 1d0i h ASN 18 CO 0.00 0.03 0.00 0.18 0.07 0.00 0.00 177.43 177.71 1d0i n LEU 19 N -4.44 3.01 -4.69 6.14 4.77 -0.80 -4.74 117.00 116.24 1d0i n LEU 19 Ca 0.06 -1.52 -0.44 0.00 -0.03 0.00 0.00 56.01 54.08 1d0i n LEU 19 Cb 0.41 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 41.03 1d0i n LEU 19 CO 0.36 0.54 1.32 -0.11 -1.33 0.00 0.00 177.39 178.17 1d0i n LEU 20 N 0.60 3.63 0.00 2.23 7.94 -0.82 -1.13 117.00 129.45 1d0i n LEU 20 Ca 0.16 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 56.11 1d0i n LEU 20 Cb 0.57 -1.51 0.00 0.00 0.53 0.00 0.00 43.42 43.01 1d0i n LEU 20 CO 0.14 -0.01 0.00 0.61 -1.11 0.00 0.00 177.39 177.02 1d0i n GLY 21 N 3.81 3.06 0.09 -3.96 0.00 -1.14 -4.10 105.19 102.95 1d0i n GLY 21 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.28 0.65 -4.45 1.61 6.02 -0.28 -4.76 117.38 114.89 1d0i n GLN 22 Ca 0.00 0.29 -0.24 0.00 -0.01 0.00 0.00 57.00 57.05 1d0i n GLN 22 Cb 0.00 -1.78 -0.10 0.00 1.02 0.00 0.00 30.24 29.38 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 -2.59 1.61 0.00 -1.09 1.04 -1.25 -4.92 118.95 111.74 1d0i s ARG 23 Ca -0.07 -1.72 0.00 0.00 -1.04 0.00 0.00 55.73 52.90 1d0i s ARG 23 Cb 0.08 -1.69 0.00 0.00 -2.04 0.00 0.00 34.95 31.29 1d0i s ARG 23 CO 0.82 0.32 0.00 0.00 -0.04 0.00 0.00 175.30 176.40 1d0i n GLN 24 N -0.48 0.00 0.22 3.89 10.64 -1.26 -4.54 117.38 125.86 1d0i n GLN 24 Ca -0.06 0.00 0.14 0.00 -1.83 0.00 0.00 57.00 55.25 1d0i n GLN 24 Cb 0.60 0.00 0.39 0.00 -0.86 0.00 0.00 30.24 30.37 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 0.29 0.00 -0.71 2.61 0.13 -1.92 0.46 132.00 132.86 1d0i h PRO 25 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 1d0i h PRO 25 Cb 0.00 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.10 1d0i h PRO 25 CO 0.00 0.00 0.21 0.93 -0.23 0.00 0.00 178.00 178.91 1d0i h GLU 26 N 0.00 1.11 0.00 0.86 3.07 -1.86 0.45 114.58 118.22 1d0i h GLU 26 Ca 0.00 -0.25 -0.02 0.00 -0.50 0.00 0.00 59.36 58.59 1d0i h GLU 26 Cb 0.77 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 28.52 1d0i h GLU 26 CO 0.00 0.96 -0.17 0.82 -1.40 0.00 0.00 179.01 179.22 1d0i h ILE 27 N 1.05 0.49 -0.08 3.13 2.04 -1.83 -3.42 117.51 118.90 1d0i h ILE 27 Ca 0.23 -1.40 0.00 0.00 1.00 0.00 0.00 64.86 64.68 1d0i h ILE 27 Cb 0.33 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1d0i h ILE 27 CO -0.00 0.17 0.00 -1.22 0.00 0.00 0.00 178.15 177.09 1d0i n TYR 28 N -4.69 0.07 -1.27 1.37 4.01 0.16 -4.53 117.16 112.27 1d0i n TYR 28 Ca -0.06 -0.04 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 1d0i n TYR 28 Cb 0.20 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 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 1.25 -2.43 0.27 2.72 0.00 0.16 -4.67 105.19 102.49 1d0i n GLY 29 Ca 0.14 -1.62 0.04 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.16 1.47 -4.77 1.61 3.41 -1.26 -4.23 113.62 109.68 1d0i n SER 30 Ca 0.00 -1.23 -0.38 0.00 -0.26 0.00 0.00 58.87 57.00 1d0i n SER 30 Cb 0.00 0.13 -0.04 0.00 -0.26 0.00 0.00 64.21 64.04 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 -0.76 6.85 0.67 4.04 1.01 -1.26 -4.64 116.67 122.58 1d0i s ASP 31 Ca 0.08 2.16 0.03 0.00 0.71 0.00 0.00 52.55 55.53 1d0i s ASP 31 Cb 0.06 -2.60 0.11 0.00 1.01 0.00 0.00 42.92 41.50 1d0i s ASP 31 CO 0.12 -0.43 0.92 0.42 0.21 0.00 0.00 175.17 176.40 1d0i s THR 32 N -1.47 2.17 0.28 -1.27 -4.23 -1.26 -2.89 115.64 106.97 1d0i s THR 32 Ca 0.54 -0.73 0.10 0.00 -1.18 0.00 0.00 61.69 60.42 1d0i s THR 32 Cb -0.26 -2.44 -0.02 0.00 1.34 0.00 0.00 72.50 71.12 1d0i s THR 32 CO 0.33 0.00 1.62 0.25 -0.54 0.00 0.00 174.62 176.29 1d0i h LEU 33 N -0.27 0.04 -1.04 4.79 5.85 -1.82 -1.86 115.31 120.99 1d0i h LEU 33 Ca -0.34 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.28 1d0i h LEU 33 Cb 1.27 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 1d0i h LEU 33 CO 0.41 0.62 -0.09 0.00 -0.34 0.00 0.00 178.44 179.04 1d0i h ALA 34 N 1.38 1.20 -0.72 1.25 0.00 -1.95 0.11 119.26 120.53 1d0i h ALA 34 Ca -0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1d0i h ALA 34 Cb 1.06 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1d0i h ALA 34 CO 0.08 0.52 0.28 -0.44 0.00 0.00 0.00 179.25 179.68 1d0i h ASP 35 N 0.54 1.00 -0.42 0.00 3.32 -1.75 -1.95 116.42 117.17 1d0i h ASP 35 Ca 0.10 -0.18 -0.15 0.00 0.02 0.00 0.00 57.03 56.82 1d0i h ASP 35 Cb 0.48 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1d0i h ASP 35 CO 0.03 0.91 -0.33 0.58 -1.72 0.00 0.00 179.24 178.70 1d0i h VAL 36 N 1.03 1.27 -0.49 -1.35 2.07 -0.69 -2.28 116.25 115.81 1d0i h VAL 36 Ca 0.24 -1.50 0.07 0.00 0.82 0.00 0.00 66.70 66.32 1d0i h VAL 36 Cb 0.23 1.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 1d0i h VAL 36 CO -0.02 0.51 0.18 -0.08 0.02 0.00 0.00 177.57 178.18 1d0i h GLU 37 N 0.80 0.35 -0.91 1.57 4.81 -0.42 -1.32 114.58 119.46 1d0i h GLU 37 Ca 0.08 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1d0i h GLU 37 Cb 0.92 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 30.18 1d0i h GLU 37 CO 0.09 0.23 0.61 0.00 -0.73 0.00 0.00 179.01 179.20 1d0i h ALA 38 N 1.32 1.16 -0.51 2.92 0.00 -1.15 -0.67 119.26 122.32 1d0i h ALA 38 Ca 0.23 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1d0i h ALA 38 Cb 0.24 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1d0i h ALA 38 CO -0.24 0.55 0.28 -0.07 0.00 0.00 0.00 179.25 179.78 1d0i h LEU 39 N 1.24 0.43 -0.39 0.00 3.38 -0.83 -0.92 115.31 118.21 1d0i h LEU 39 Ca 0.34 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.28 1d0i h LEU 39 Cb -0.14 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1d0i h LEU 39 CO -0.07 0.30 0.08 0.00 0.09 0.00 0.00 178.44 178.84 1d0i h VAL 41 N 0.48 0.99 -0.01 0.00 2.07 -0.90 -0.49 116.25 118.38 1d0i h VAL 41 Ca 0.12 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1d0i h VAL 41 Cb 0.33 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1d0i h VAL 41 CO 0.00 0.08 0.00 0.50 0.02 0.00 0.00 177.57 178.17 1d0i h LYS 42 N 0.43 0.01 -0.51 1.57 3.64 -1.02 0.63 116.57 121.32 1d0i h LYS 42 Ca 0.17 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1d0i h LYS 42 Cb 0.07 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.86 1d0i h LYS 42 CO -0.11 0.00 0.33 0.00 -2.27 0.00 0.00 179.45 177.40 1d0i h ALA 43 N 1.01 0.65 -0.57 5.00 0.00 -0.69 -2.54 119.26 122.11 1d0i h ALA 43 Ca 0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1d0i h ALA 43 Cb 0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1d0i h ALA 43 CO -0.01 0.10 0.26 0.00 0.00 0.00 0.00 179.25 179.60 1d0i h ALA 44 N 1.18 0.74 0.00 0.00 0.00 -0.95 -2.97 119.26 117.26 1d0i h ALA 44 Ca 0.19 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1d0i h ALA 44 Cb -0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1d0i h ALA 44 CO -0.04 0.32 -0.21 0.00 0.00 0.00 0.00 179.25 179.33 1d0i h ALA 45 N 1.10 1.46 0.00 0.00 0.00 -0.50 0.15 119.26 121.46 1d0i h ALA 45 Ca 0.19 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1d0i h ALA 45 Cb 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1d0i h ALA 45 CO -0.02 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.48 1d0i h ALA 46 N 1.79 1.00 -0.43 0.00 0.00 -1.29 -1.67 119.26 118.66 1d0i h ALA 46 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1d0i h ALA 46 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1d0i h ALA 46 CO 0.03 0.00 0.00 0.72 0.00 0.00 0.00 179.25 180.00 1d0i n HIS 47 N -2.48 0.58 -1.60 0.00 8.25 -0.64 -4.97 115.22 114.36 1d0i n HIS 47 Ca 0.01 -0.48 -0.07 0.00 -0.26 0.00 0.00 57.72 56.92 1d0i n HIS 47 Cb 0.21 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.28 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 0.81 0.54 1.31 -1.41 0.00 -0.63 -4.75 105.19 101.07 1d0i n GLY 48 Ca 0.15 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.67 3.74 3.26 -0.02 0.00 0.42 -4.20 105.19 106.72 1d0i n GLY 49 Ca -0.07 -2.26 -0.15 0.00 0.00 0.00 0.00 46.02 43.55 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 -1.50 0.21 0.14 2.61 -4.23 -1.26 -3.24 115.64 108.37 1d0i s THR 50 Ca 0.02 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.59 1d0i s THR 50 Cb -0.00 -2.54 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 1d0i s THR 50 CO 0.02 0.00 -0.14 0.68 -0.54 0.00 0.00 174.62 174.64 1d0i s VAL 51 N -3.93 1.38 -0.46 2.29 -7.23 -1.26 -0.30 120.40 110.89 1d0i s VAL 51 Ca 0.38 -1.84 0.03 0.00 -1.81 0.00 0.00 61.98 58.74 1d0i s VAL 51 Cb 0.07 -1.66 0.13 0.00 0.56 0.00 0.00 36.38 35.48 1d0i s VAL 51 CO 0.14 -0.48 0.23 -0.62 -0.31 0.00 0.00 175.10 174.05 1d0i s ASP 52 N -2.68 4.06 -0.25 4.85 -1.08 0.28 -4.84 116.67 117.01 1d0i s ASP 52 Ca 0.12 -2.73 -0.13 0.00 -0.52 0.00 0.00 52.55 49.29 1d0i s ASP 52 Cb -0.03 -1.36 -0.04 0.00 -1.46 0.00 0.00 42.92 40.03 1d0i s ASP 52 CO 0.03 -0.26 0.27 0.12 0.52 0.00 0.00 175.17 175.85 1d0i s PHE 53 N 0.14 3.29 0.07 -5.34 2.19 -1.26 -0.94 117.98 116.12 1d0i s PHE 53 Ca 0.16 0.33 0.01 0.00 0.33 0.00 0.00 56.93 57.76 1d0i s PHE 53 Cb -0.25 -2.43 -0.04 0.00 -1.31 0.00 0.00 43.02 39.00 1d0i s PHE 53 CO -0.01 -0.08 -0.06 1.03 1.83 0.00 0.00 175.22 177.93 1d0i s ARG 54 N 1.55 0.68 0.01 10.12 0.52 0.51 -4.97 118.95 127.36 1d0i s ARG 54 Ca 0.12 -1.15 0.01 0.00 -0.52 0.00 0.00 55.73 54.19 1d0i s ARG 54 Cb -0.15 -0.08 -0.01 0.00 0.52 0.00 0.00 34.95 35.23 1d0i s ARG 54 CO 0.08 -0.03 -0.03 -1.14 0.02 0.00 0.00 175.30 174.20 1d0i s GLN 55 N -3.27 0.23 -0.08 3.54 -0.44 -1.26 -1.03 119.66 117.35 1d0i s GLN 55 Ca 0.04 -0.28 -0.17 0.00 -2.50 0.00 0.00 55.36 52.46 1d0i s GLN 55 Cb 0.02 -0.10 0.04 0.00 -1.64 0.00 0.00 33.01 31.33 1d0i s GLN 55 CO -0.05 0.02 0.41 0.45 0.50 0.00 0.00 175.29 176.62 1d0i s SER 56 N -0.56 -0.35 0.00 6.67 0.15 -0.19 -4.97 113.70 114.45 1d0i s SER 56 Ca -0.05 0.48 0.26 0.00 0.70 0.00 0.00 55.95 57.35 1d0i s SER 56 Cb -0.04 0.57 0.67 0.00 -1.71 0.00 0.00 66.02 65.51 1d0i s SER 56 CO -0.00 -0.35 1.53 0.59 1.20 0.00 0.00 173.24 176.20 1d0i n ASN 57 N 1.85 1.92 -4.45 5.45 3.02 -1.26 -2.55 115.26 119.23 1d0i n ASN 57 Ca -0.18 -1.56 -0.36 0.00 -0.03 0.00 0.00 54.58 52.44 1d0i n ASN 57 Cb 0.57 0.06 -0.12 0.00 -0.61 0.00 0.00 39.78 39.67 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 -2.11 3.09 0.22 3.10 3.76 -1.26 -4.72 115.29 117.37 1d0i s HIS 58 Ca 0.32 -0.40 -0.08 0.00 -0.15 0.00 0.00 55.06 54.75 1d0i s HIS 58 Cb 0.20 -2.24 0.32 0.00 1.11 0.00 0.00 32.58 31.97 1d0i s HIS 58 CO 0.37 -0.35 1.76 1.49 -0.85 0.00 0.00 174.74 177.16 1d0i h GLU 59 N 8.23 0.50 -0.11 1.40 4.81 -2.00 -1.94 114.58 125.47 1d0i h GLU 59 Ca -0.38 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 58.74 1d0i h GLU 59 Cb 1.18 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 1d0i h GLU 59 CO 0.58 0.33 -0.27 0.78 -0.73 0.00 0.00 179.01 179.70 1d0i h GLY 60 N 0.52 0.21 0.99 1.92 0.00 -1.99 -0.70 103.07 104.02 1d0i h GLY 60 Ca 0.34 -0.16 -0.11 0.00 0.00 0.00 0.00 47.33 47.40 1d0i h GLY 60 CO -0.29 0.14 -0.22 -2.09 0.00 0.00 0.00 176.54 174.09 1d0i h GLU 61 N 0.18 0.76 -0.58 4.80 4.81 -1.85 -0.05 114.58 122.64 1d0i h GLU 61 Ca 0.03 -0.35 -0.07 0.00 -0.13 0.00 0.00 59.36 58.83 1d0i h GLU 61 Cb 0.57 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 1d0i h GLU 61 CO 0.04 0.97 0.09 -0.07 -0.73 0.00 0.00 179.01 179.31 1d0i h LEU 62 N 0.54 0.93 -0.49 1.64 3.38 -0.65 -0.94 115.31 119.73 1d0i h LEU 62 Ca 0.07 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1d0i h LEU 62 Cb 0.77 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1d0i h LEU 62 CO 0.06 0.96 0.31 0.58 0.09 0.00 0.00 178.44 180.44 1d0i h VAL 63 N 0.87 1.14 -0.87 1.22 2.07 -0.83 -0.52 116.25 119.32 1d0i h VAL 63 Ca 0.18 -0.28 0.13 0.00 0.82 0.00 0.00 66.70 67.55 1d0i h VAL 63 Cb 0.43 0.45 -0.09 0.00 -1.52 0.00 0.00 31.29 30.56 1d0i h VAL 63 CO 0.01 0.14 0.48 0.44 0.02 0.00 0.00 177.57 178.66 1d0i h ASP 64 N 0.65 0.64 -0.04 0.57 3.32 -0.60 -1.90 116.42 119.06 1d0i h ASP 64 Ca 0.18 0.07 -0.15 0.00 0.02 0.00 0.00 57.03 57.15 1d0i h ASP 64 Cb -0.05 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 1d0i h ASP 64 CO -0.04 0.30 -0.49 -0.50 -1.72 0.00 0.00 179.24 176.80 1d0i h TRP 65 N 0.73 0.74 -0.50 4.55 6.55 -0.71 -2.44 115.95 124.87 1d0i h TRP 65 Ca 0.46 -0.24 -0.01 0.00 0.95 0.00 0.00 58.89 60.04 1d0i h TRP 65 Cb 0.57 -0.15 -0.02 0.00 -0.86 0.00 0.00 29.16 28.70 1d0i h TRP 65 CO -0.07 0.97 0.26 0.82 -1.05 0.00 0.00 178.44 179.38 1d0i h ILE 66 N 0.48 1.18 -0.51 1.49 2.04 -0.60 -1.38 117.51 120.21 1d0i h ILE 66 Ca 0.02 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 1d0i h ILE 66 Cb 1.03 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 1d0i h ILE 66 CO 0.10 0.19 0.23 0.45 0.00 0.00 0.00 178.15 179.12 1d0i h HIS 67 N 0.66 0.70 -0.57 1.37 3.86 -0.91 -2.37 115.15 117.90 1d0i h HIS 67 Ca 0.17 -0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.31 1d0i h HIS 67 Cb 0.07 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.30 1d0i h HIS 67 CO -0.01 0.53 0.15 1.49 0.86 0.00 0.00 177.93 180.95 1d0i h GLU 68 N 0.71 0.90 -0.73 2.45 4.81 -1.00 -2.43 114.58 119.30 1d0i h GLU 68 Ca 0.18 -0.21 0.06 0.00 -0.13 0.00 0.00 59.36 59.26 1d0i h GLU 68 Cb 0.09 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 1d0i h GLU 68 CO -0.02 0.83 0.48 0.00 -0.73 0.00 0.00 179.01 179.56 1d0i h ALA 69 N 1.03 1.68 -1.00 2.92 0.00 -0.77 -1.95 119.26 121.17 1d0i h ALA 69 Ca 0.18 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.21 1d0i h ALA 69 Cb 0.32 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 17.81 1d0i h ALA 69 CO -0.00 0.21 0.63 0.00 0.00 0.00 0.00 179.25 180.09 1d0i h ARG 70 N 0.78 0.88 0.10 0.00 3.08 -0.97 -2.44 114.38 115.80 1d0i h ARG 70 Ca 0.31 -0.05 -0.33 0.00 0.07 0.00 0.00 59.98 59.98 1d0i h ARG 70 Cb 0.22 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1d0i h ARG 70 CO -0.10 0.58 -1.75 -0.07 -1.07 0.00 0.00 179.97 177.56 1d0i h LEU 71 N 0.90 0.33 -1.77 3.04 3.38 -1.44 -3.43 115.31 116.33 1d0i h LEU 71 Ca 0.53 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1d0i h LEU 71 Cb 0.65 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1d0i h LEU 71 CO -0.31 1.52 0.00 0.59 0.09 0.00 0.00 178.44 180.34 1d0i n ASN 72 N -3.39 1.95 -4.22 -0.43 5.03 -0.98 -5.08 115.26 108.15 1d0i n ASN 72 Ca -0.22 -1.52 -0.13 0.00 0.87 0.00 0.00 54.58 53.58 1d0i n ASN 72 Cb 1.05 -0.05 -0.10 0.00 -1.02 0.00 0.00 39.78 39.66 1d0i n ASN 72 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1d0i s HIS 73 N -0.76 1.11 -1.31 3.10 3.76 -0.93 -4.33 115.29 115.93 1d0i s HIS 73 Ca 0.11 -0.99 0.22 0.00 -0.15 0.00 0.00 55.06 54.26 1d0i s HIS 73 Cb 0.07 -0.63 -0.02 0.00 1.11 0.00 0.00 32.58 33.11 1d0i s HIS 73 CO 0.10 -0.19 1.06 0.00 -0.85 0.00 0.00 174.74 174.86 1d0i n GLY 75 N 1.47 -0.04 2.99 0.00 0.00 -1.26 -4.43 105.19 103.92 1d0i n GLY 75 Ca 0.06 -0.96 -0.23 0.00 0.00 0.00 0.00 46.02 44.88 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 0.98 -0.28 -0.61 1.01 -0.03 -1.05 121.20 119.22 1d0i s ILE 76 Ca 0.00 -0.39 -0.08 0.00 0.00 0.00 0.00 60.65 60.18 1d0i s ILE 76 Cb 0.00 -0.91 -0.01 0.00 0.01 0.00 0.00 42.46 41.55 1d0i s ILE 76 CO 0.00 0.32 0.10 -0.69 0.00 0.00 0.00 174.94 174.67 1d0i s VAL 77 N 0.71 4.28 -0.07 2.92 1.01 -0.23 -0.64 120.40 128.38 1d0i s VAL 77 Ca -0.14 -0.43 0.02 0.00 0.00 0.00 0.00 61.98 61.44 1d0i s VAL 77 Cb -0.15 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.11 1d0i s VAL 77 CO 0.03 0.16 -0.13 -0.51 0.00 0.00 0.00 175.10 174.65 1d0i s ILE 78 N 1.57 1.22 -0.61 2.22 2.07 0.44 -1.29 121.20 126.83 1d0i s ILE 78 Ca 0.05 -0.53 -0.07 0.00 -1.41 0.00 0.00 60.65 58.69 1d0i s ILE 78 Cb -0.16 -1.11 0.16 0.00 0.13 0.00 0.00 42.46 41.47 1d0i s ILE 78 CO 0.04 0.37 0.46 0.21 -1.91 0.00 0.00 174.94 174.12 1d0i s ASN 79 N 0.65 5.72 0.18 4.50 3.84 -0.24 -1.36 114.94 128.23 1d0i s ASN 79 Ca -0.15 -2.46 0.23 0.00 0.21 0.00 0.00 52.86 50.69 1d0i s ASN 79 Cb -0.16 -1.98 0.90 0.00 -0.55 0.00 0.00 41.25 39.46 1d0i s ASN 79 CO 0.04 -0.53 1.71 -2.65 -2.79 0.00 0.00 177.10 172.88 1d0i n PRO 80 N 4.12 0.16 0.00 0.43 -0.02 -1.26 -0.48 135.00 137.94 1d0i n PRO 80 Ca 0.03 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1d0i n PRO 80 Cb 0.41 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 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 -1.70 0.00 -0.34 3.55 0.00 -1.26 -1.86 120.51 118.89 1d0i n ALA 81 Ca 0.04 0.00 0.30 0.00 0.00 0.00 0.00 53.44 53.78 1d0i n ALA 81 Cb 0.28 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.37 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 -0.59 2.70 0.00 0.00 0.00 -1.94 -0.06 119.26 119.37 1d0i h ALA 82 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1d0i h ALA 82 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1d0i h ALA 82 CO 0.00 -1.11 0.00 1.88 0.00 0.00 0.00 179.25 180.02 1d0i h TYR 83 N 0.19 0.00 -0.96 0.00 0.05 -1.76 -2.16 116.97 112.33 1d0i h TYR 83 Ca 0.62 0.00 0.13 0.00 0.05 0.00 0.00 58.73 59.53 1d0i h TYR 83 Cb 2.00 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 39.65 1d0i h TYR 83 CO -0.00 0.00 0.58 0.77 -1.05 0.00 0.00 178.16 178.46 1d0i h SER 84 N 0.00 0.82 0.88 3.88 0.02 -1.00 -0.43 113.55 117.71 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 0.28 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1d0i h SER 84 CO 0.00 0.41 -0.67 0.45 -1.14 0.00 0.00 176.83 175.88 1d0i h HIS 85 N 0.88 0.00 0.00 3.45 3.86 -1.55 0.23 115.15 122.03 1d0i h HIS 85 Ca 0.49 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.70 1d0i h HIS 85 Cb 0.55 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.02 1d0i h HIS 85 CO -0.02 0.00 -0.48 0.25 0.86 0.00 0.00 177.93 178.53 1d0i n THR 86 N -2.17 0.00 -3.11 2.45 -2.24 -1.01 -4.80 114.28 103.40 1d0i n THR 86 Ca 0.03 -0.08 -0.45 0.00 -2.27 0.00 0.00 64.05 61.27 1d0i n THR 86 Cb 0.45 0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 69.15 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 -1.14 6.55 0.36 3.42 0.15 -0.20 -4.82 113.70 118.01 1d0i s SER 87 Ca 0.00 -2.08 0.06 0.00 0.70 0.00 0.00 55.95 54.63 1d0i s SER 87 Cb 0.00 -2.31 0.67 0.00 -1.71 0.00 0.00 66.02 62.67 1d0i s SER 87 CO 0.00 -0.92 1.89 0.58 1.20 0.00 0.00 173.24 175.99 1d0i h VAL 88 N 5.51 1.19 -0.89 4.45 2.07 -1.94 -2.84 116.25 123.80 1d0i h VAL 88 Ca 0.01 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 1d0i h VAL 88 Cb 1.05 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 1d0i h VAL 88 CO 0.99 0.26 0.49 0.00 0.02 0.00 0.00 177.57 179.33 1d0i h ALA 89 N 1.56 1.14 -0.22 1.67 0.00 -1.98 0.10 119.26 121.54 1d0i h ALA 89 Ca 0.09 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1d0i h ALA 89 Cb 0.34 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1d0i h ALA 89 CO 0.01 0.64 -0.01 0.82 0.00 0.00 0.00 179.25 180.72 1d0i h ILE 90 N 1.25 1.26 -0.33 0.00 2.04 -1.89 0.14 117.51 119.97 1d0i h ILE 90 Ca 0.31 -0.93 0.06 0.00 1.00 0.00 0.00 64.86 65.31 1d0i h ILE 90 Cb 0.02 1.44 -0.05 0.00 -0.74 0.00 0.00 36.82 37.49 1d0i h ILE 90 CO -0.05 0.28 0.00 0.25 0.00 0.00 0.00 178.15 178.64 1d0i h LEU 91 N 0.14 -0.13 -1.29 1.44 5.85 -1.19 -1.58 115.31 118.56 1d0i h LEU 91 Ca 0.06 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 1d0i h LEU 91 Cb 0.43 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1d0i h LEU 91 CO 0.01 -0.03 -0.13 0.44 -0.34 0.00 0.00 178.44 178.39 1d0i h ASP 92 N 0.10 0.30 -0.53 1.25 3.32 -0.55 -0.67 116.42 119.64 1d0i h ASP 92 Ca 0.16 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 1d0i h ASP 92 Cb 0.22 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1d0i h ASP 92 CO -0.27 0.47 0.17 0.00 -1.72 0.00 0.00 179.24 177.89 1d0i h ALA 93 N 1.57 0.70 -0.00 3.45 0.00 -0.47 -2.61 119.26 121.90 1d0i h ALA 93 Ca 0.06 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1d0i h ALA 93 Cb 0.42 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1d0i h ALA 93 CO 0.02 0.35 -0.38 -0.07 0.00 0.00 0.00 179.25 179.18 1d0i h LEU 94 N 0.74 0.00 -0.35 0.00 3.38 -0.79 -2.23 115.31 116.05 1d0i h LEU 94 Ca 0.17 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1d0i h LEU 94 Cb 0.27 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1d0i h LEU 94 CO -0.01 0.38 0.00 0.59 0.09 0.00 0.00 178.44 179.49 1d0i n ASN 95 N -4.09 0.55 0.20 -0.43 3.02 -0.30 -3.19 115.26 111.02 1d0i n ASN 95 Ca -0.02 0.60 0.07 0.00 -0.03 0.00 0.00 54.58 55.21 1d0i n ASN 95 Cb 0.41 -0.73 0.37 0.00 -0.61 0.00 0.00 39.78 39.22 1d0i n ASN 95 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1d0i h THR 96 N 0.00 0.73 -3.45 3.41 1.35 -1.04 -3.36 112.91 110.55 1d0i h THR 96 Ca 0.00 -1.37 -0.64 0.00 -0.55 0.00 0.00 66.41 63.85 1d0i h THR 96 Cb 0.46 1.88 -0.40 0.00 -1.73 0.00 0.00 68.15 68.35 1d0i h THR 96 CO 0.00 0.30 -0.71 0.00 -0.25 0.00 0.00 175.52 174.87 1d0i h ASP 98 N 7.32 0.19 0.29 0.00 3.32 -1.79 -3.20 116.42 122.55 1d0i h ASP 98 Ca -0.06 0.03 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 1d0i h ASP 98 Cb 0.98 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 1d0i h ASP 98 CO 0.55 0.15 -0.36 1.23 -1.72 0.00 0.00 179.24 179.09 1d0i h GLY 99 N 0.31 0.11 -5.27 2.75 0.00 -1.95 -3.45 103.07 95.57 1d0i h GLY 99 Ca 0.15 -0.09 -0.54 0.00 0.00 0.00 0.00 47.33 46.86 1d0i h GLY 99 CO -0.13 0.08 1.14 -2.27 0.00 0.00 0.00 176.54 175.36 1d0i s LEU 100 N -8.27 4.37 0.21 3.11 2.96 -1.21 -4.95 118.68 114.91 1d0i s LEU 100 Ca -0.04 2.45 -0.31 0.00 -0.22 0.00 0.00 54.13 56.01 1d0i s LEU 100 Cb 0.14 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 43.19 1d0i s LEU 100 CO 0.74 -0.98 1.58 -2.84 -1.32 0.00 0.00 176.35 173.53 1d0i s PRO 101 N 4.06 4.19 -0.06 0.98 0.02 -1.26 -4.88 135.00 138.04 1d0i s PRO 101 Ca 0.80 2.44 0.01 0.00 0.02 0.00 0.00 61.00 64.26 1d0i s PRO 101 Cb -0.38 -3.11 0.02 0.00 0.02 0.00 0.00 34.50 31.05 1d0i s PRO 101 CO 0.35 -0.60 -0.06 0.08 -0.33 0.00 0.00 177.00 176.43 1d0i s VAL 102 N 0.73 0.74 -0.13 3.83 1.01 -1.26 -0.85 120.40 124.48 1d0i s VAL 102 Ca 0.68 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.45 1d0i s VAL 102 Cb -0.45 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.20 1d0i s VAL 102 CO 0.37 0.28 -0.12 -0.69 0.00 0.00 0.00 175.10 174.94 1d0i s VAL 103 N 1.10 1.36 -0.09 2.92 1.01 0.18 -0.64 120.40 126.24 1d0i s VAL 103 Ca -0.08 -0.51 -0.20 0.00 0.00 0.00 0.00 61.98 61.19 1d0i s VAL 103 Cb -0.14 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1d0i s VAL 103 CO -0.01 0.42 0.57 -0.70 0.00 0.00 0.00 175.10 175.38 1d0i s GLU 104 N 1.45 4.38 -0.06 2.72 2.12 -0.35 -0.42 118.70 128.53 1d0i s GLU 104 Ca 0.02 0.63 0.03 0.00 0.36 0.00 0.00 54.97 56.02 1d0i s GLU 104 Cb -0.13 -3.44 0.01 0.00 0.26 0.00 0.00 34.13 30.83 1d0i s GLU 104 CO -0.08 0.13 -0.15 0.08 -0.54 0.00 0.00 175.26 174.71 1d0i s VAL 105 N 0.65 1.29 -0.11 3.70 1.01 -0.46 -0.49 120.40 125.99 1d0i s VAL 105 Ca 0.31 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.71 1d0i s VAL 105 Cb -0.16 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.08 1d0i s VAL 105 CO 0.14 0.38 -0.20 -1.00 0.00 0.00 0.00 175.10 174.42 1d0i s HIS 106 N 0.38 2.38 0.03 5.22 3.76 0.07 -3.98 115.29 123.15 1d0i s HIS 106 Ca -0.10 -1.09 -0.22 0.00 -0.15 0.00 0.00 55.06 53.49 1d0i s HIS 106 Cb -0.14 -1.63 -0.15 0.00 1.11 0.00 0.00 32.58 31.77 1d0i s HIS 106 CO 0.03 -0.49 1.40 0.82 -0.85 0.00 0.00 174.74 175.65 1d0i h ILE 107 N 5.83 1.30 -4.07 0.60 2.04 -1.86 -1.54 117.51 119.81 1d0i h ILE 107 Ca -0.28 -1.00 -0.49 0.00 1.00 0.00 0.00 64.86 64.09 1d0i h ILE 107 Cb 1.20 1.76 0.03 0.00 -0.74 0.00 0.00 36.82 39.07 1d0i h ILE 107 CO 0.51 0.29 0.31 -0.94 0.00 0.00 0.00 178.15 178.31 1d0i s SER 108 N -5.82 6.45 -0.73 1.72 1.04 -1.26 -2.36 113.70 112.74 1d0i s SER 108 Ca -0.15 1.37 -0.25 0.00 0.48 0.00 0.00 55.95 57.41 1d0i s SER 108 Cb 0.05 -2.43 0.05 0.00 0.10 0.00 0.00 66.02 63.79 1d0i s SER 108 CO 0.71 -0.63 1.14 0.21 0.98 0.00 0.00 173.24 175.66 1d0i s ASN 109 N -3.52 6.20 0.54 7.02 3.84 -1.26 -0.90 114.94 126.86 1d0i s ASN 109 Ca 0.55 -0.80 0.20 0.00 0.21 0.00 0.00 52.86 53.02 1d0i s ASN 109 Cb -0.10 -2.49 1.43 0.00 -0.55 0.00 0.00 41.25 39.53 1d0i s ASN 109 CO 0.39 -1.62 2.17 0.16 -2.79 0.00 0.00 177.10 175.41 1d0i h ILE 110 N 6.04 0.85 0.00 -5.21 3.07 -1.92 -2.21 117.51 118.13 1d0i h ILE 110 Ca -0.24 -0.06 0.00 0.00 1.55 0.00 0.00 64.86 66.10 1d0i h ILE 110 Cb 1.06 1.04 0.00 0.00 -0.27 0.00 0.00 36.82 38.64 1d0i h ILE 110 CO 1.24 0.02 0.00 1.41 -1.05 0.00 0.00 178.15 179.77 1d0i n HIS 111 N -4.28 0.18 0.50 0.16 8.25 -1.26 -1.55 115.22 117.20 1d0i n HIS 111 Ca -0.03 0.07 0.12 0.00 -0.26 0.00 0.00 57.72 57.62 1d0i n HIS 111 Cb 0.10 -0.61 0.20 0.00 1.12 0.00 0.00 29.99 30.80 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 -1.66 2.45 0.00 -0.41 6.02 -0.83 -4.99 117.38 117.96 1d0i n GLN 112 Ca 0.03 -2.17 0.00 0.00 -0.01 0.00 0.00 57.00 54.85 1d0i n GLN 112 Cb 0.19 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.95 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 1.43 3.77 -1.80 -1.09 1.74 -0.60 -5.07 116.66 115.04 1d0i n ARG 113 Ca 0.18 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.87 1d0i n ARG 113 Cb 0.60 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 32.07 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 2.63 3.41 0.41 5.56 8.01 -1.26 -4.86 118.70 132.59 1d0i s GLU 114 Ca 0.00 2.31 0.19 0.00 0.01 0.00 0.00 54.97 57.48 1d0i s GLU 114 Cb 0.00 -2.45 1.10 0.00 -4.31 0.00 0.00 34.13 28.48 1d0i s GLU 114 CO 0.00 -1.00 1.81 -1.35 0.01 0.00 0.00 175.26 174.73 1d0i h PRO 115 N 1.88 0.38 0.00 0.39 0.11 -1.97 0.16 132.00 132.95 1d0i h PRO 115 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1d0i h PRO 115 Cb 1.28 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1d0i h PRO 115 CO 0.59 0.25 0.00 1.97 -0.21 0.00 0.00 178.00 180.60 1d0i n PHE 116 N -4.56 0.41 1.39 0.65 1.16 -1.26 -1.96 117.46 113.30 1d0i n PHE 116 Ca 0.23 0.16 0.14 0.00 -1.87 0.00 0.00 57.45 56.10 1d0i n PHE 116 Cb 0.81 -0.76 0.47 0.00 -1.61 0.00 0.00 39.48 38.39 1d0i n PHE 116 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1d0i n ARG 117 N -1.87 1.23 0.15 3.97 1.74 0.56 -4.16 116.66 118.28 1d0i n ARG 117 Ca 0.03 -0.70 0.01 0.00 -0.77 0.00 0.00 57.85 56.42 1d0i n ARG 117 Cb 0.20 -1.49 0.21 0.00 -1.02 0.00 0.00 32.46 30.36 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 1.70 0.00 -3.15 -1.55 3.86 -1.46 -3.44 115.15 111.12 1d0i h HIS 118 Ca 0.00 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.59 1d0i h HIS 118 Cb 0.49 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 28.84 1d0i h HIS 118 CO 0.00 0.54 -0.49 -1.58 0.86 0.00 0.00 177.93 177.25 1d0i s HIS 119 N -3.51 3.43 -0.12 2.45 5.65 -1.26 -4.90 115.29 117.03 1d0i s HIS 119 Ca -0.00 0.35 0.02 0.00 0.25 0.00 0.00 55.06 55.67 1d0i s HIS 119 Cb 0.12 -2.11 0.02 0.00 -1.18 0.00 0.00 32.58 29.42 1d0i s HIS 119 CO 0.73 0.37 -0.16 0.45 -0.65 0.00 0.00 174.74 175.49 1d0i s SER 120 N 0.08 2.54 0.34 9.88 0.15 -1.26 -4.15 113.70 121.27 1d0i s SER 120 Ca 0.09 -0.45 0.06 0.00 0.70 0.00 0.00 55.95 56.35 1d0i s SER 120 Cb -0.11 -1.13 0.63 0.00 -1.71 0.00 0.00 66.02 63.69 1d0i s SER 120 CO -0.01 0.01 1.85 1.88 1.20 0.00 0.00 173.24 178.17 1d0i h TYR 121 N 7.53 0.41 0.00 3.44 0.05 -0.85 -2.99 116.97 124.56 1d0i h TYR 121 Ca -0.32 -0.05 -0.06 0.00 0.05 0.00 0.00 58.73 58.34 1d0i h TYR 121 Cb 1.17 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.79 1d0i h TYR 121 CO 0.48 0.50 -0.27 0.28 -1.05 0.00 0.00 178.16 178.10 1d0i h VAL 122 N 0.36 1.04 0.00 -2.88 2.07 -1.87 -3.13 116.25 111.84 1d0i h VAL 122 Ca 0.07 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.60 1d0i h VAL 122 Cb 0.44 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.75 1d0i h VAL 122 CO 0.02 0.26 -0.08 0.28 0.02 0.00 0.00 177.57 178.08 1d0i h SER 123 N 0.00 0.00 0.81 0.57 0.02 -1.89 0.82 113.55 113.88 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 0.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1d0i h SER 123 CO 0.03 0.08 0.00 0.00 -1.14 0.00 0.00 176.83 175.80 1d0i n GLN 124 N -4.27 0.14 -0.05 3.45 10.64 -1.18 -3.61 117.38 122.49 1d0i n GLN 124 Ca -0.03 0.31 -0.06 0.00 -1.83 0.00 0.00 57.00 55.39 1d0i n GLN 124 Cb 0.16 -1.74 -0.07 0.00 -0.86 0.00 0.00 30.24 27.72 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 -2.00 1.68 -1.68 2.61 3.00 -0.39 -5.00 116.66 114.87 1d0i n ARG 125 Ca 0.03 0.02 -0.41 0.00 -0.00 0.00 0.00 57.85 57.49 1d0i n ARG 125 Cb 0.26 -1.26 0.01 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 -2.54 1.03 -0.04 5.13 0.00 0.15 -4.89 120.51 119.34 1d0i n ALA 126 Ca -0.19 0.26 -0.13 0.00 0.00 0.00 0.00 53.44 53.38 1d0i n ALA 126 Cb 0.80 -2.22 -0.07 0.00 0.00 0.00 0.00 19.45 17.95 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 1.96 0.27 -4.44 0.00 3.32 -1.21 -3.46 116.42 112.86 1d0i h ASP 127 Ca -0.47 -0.44 -0.33 0.00 0.02 0.00 0.00 57.03 55.81 1d0i h ASP 127 Cb 1.30 -0.07 -0.19 0.00 0.22 0.00 0.00 39.33 40.59 1d0i h ASP 127 CO 0.59 0.65 -0.74 -0.83 -1.72 0.00 0.00 179.24 177.19 1d0i s GLY 128 N -3.27 0.81 -0.08 2.75 0.00 -1.21 -5.06 107.32 101.25 1d0i s GLY 128 Ca -0.14 -1.11 -0.01 0.00 0.00 0.00 0.00 44.72 43.45 1d0i s GLY 128 CO 0.73 -1.18 -0.01 0.14 0.00 0.00 0.00 173.10 172.78 1d0i s VAL 129 N -2.14 0.50 -0.15 1.40 1.01 -1.26 -1.22 120.40 118.55 1d0i s VAL 129 Ca 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 1d0i s VAL 129 Cb -0.05 -0.65 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 1d0i s VAL 129 CO 0.00 0.26 -0.12 -0.69 0.00 0.00 0.00 175.10 174.55 1d0i s VAL 130 N 1.92 2.99 0.02 2.92 1.01 0.36 -4.99 120.40 124.62 1d0i s VAL 130 Ca 0.05 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.38 1d0i s VAL 130 Cb -0.12 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 1d0i s VAL 130 CO -0.06 0.51 -0.07 0.00 0.00 0.00 0.00 175.10 175.48 1d0i s ALA 131 N 0.63 0.56 -0.72 5.51 0.00 -1.26 -0.75 121.76 125.73 1d0i s ALA 131 Ca -0.07 -0.48 0.00 0.00 0.00 0.00 0.00 51.96 51.41 1d0i s ALA 131 Cb -0.15 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.90 1d0i s ALA 131 CO 0.03 0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.27 1d0i n GLY 132 N 2.32 0.85 1.63 0.00 0.00 -0.08 -4.79 105.19 105.11 1d0i n GLY 132 Ca -0.17 -0.32 0.08 0.00 0.00 0.00 0.00 46.02 45.61 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 0.50 0.70 0.19 0.00 0.00 -1.00 -2.99 105.19 102.59 1d0i n GLY 134 Ca 0.26 -0.75 0.14 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.90 -1.48 116.25 112.97 1d0i h VAL 135 Ca 0.00 -0.41 -0.01 0.00 -1.23 0.00 0.00 66.70 65.05 1d0i h VAL 135 Cb 0.00 1.29 -0.00 0.00 -2.13 0.00 0.00 31.29 30.45 1d0i h VAL 135 CO 0.00 0.00 -0.04 -0.61 -1.23 0.00 0.00 177.57 175.69 1d0i h GLN 136 N 0.00 0.00 0.00 5.19 4.15 -1.95 -0.76 115.11 121.74 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 0.50 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.19 1d0i h GLN 136 CO 0.00 0.04 -0.02 0.78 -1.93 0.00 0.00 178.83 177.70 1d0i h GLY 137 N 0.17 0.00 1.27 2.39 0.00 -1.19 -0.39 103.07 105.32 1d0i h GLY 137 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 1d0i h GLY 137 CO 0.01 0.00 -0.21 -0.97 0.00 0.00 0.00 176.54 175.36 1d0i h TYR 138 N 0.00 0.95 -0.33 5.60 -1.99 -1.33 -1.50 116.97 118.37 1d0i h TYR 138 Ca -0.00 -0.22 -0.00 0.00 2.00 0.00 0.00 58.73 60.51 1d0i h TYR 138 Cb 0.05 -0.23 -0.02 0.00 2.00 0.00 0.00 36.73 38.53 1d0i h TYR 138 CO 0.00 0.97 0.21 0.28 -0.00 0.00 0.00 178.16 179.61 1d0i h VAL 139 N 0.73 1.11 -0.86 -2.88 2.07 -1.18 -1.46 116.25 113.77 1d0i h VAL 139 Ca 0.10 -0.24 0.11 0.00 0.82 0.00 0.00 66.70 67.49 1d0i h VAL 139 Cb 0.74 0.66 -0.08 0.00 -1.52 0.00 0.00 31.29 31.09 1d0i h VAL 139 CO 0.06 0.11 0.50 -0.26 0.02 0.00 0.00 177.57 177.99 1d0i h PHE 140 N 0.44 0.89 -0.04 1.57 0.04 -1.01 -1.09 116.94 117.74 1d0i h PHE 140 Ca 0.12 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.94 1d0i h PHE 140 Cb -0.01 -0.27 -0.02 0.00 2.20 0.00 0.00 35.95 37.85 1d0i h PHE 140 CO -0.04 0.34 -0.06 0.78 -0.60 0.00 0.00 178.31 178.72 1d0i h GLY 141 N 0.80 -0.03 0.99 -1.45 0.00 -0.82 -1.14 103.07 101.41 1d0i h GLY 141 Ca 0.43 0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.84 1d0i h GLY 141 CO -0.27 -0.07 0.25 -2.08 0.00 0.00 0.00 176.54 174.37 1d0i h VAL 142 N -0.09 1.09 -0.87 4.60 2.07 -0.71 -1.14 116.25 121.19 1d0i h VAL 142 Ca 0.04 -0.17 0.03 0.00 0.82 0.00 0.00 66.70 67.41 1d0i h VAL 142 Cb 0.14 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 1d0i h VAL 142 CO -0.09 0.09 0.57 -0.33 0.02 0.00 0.00 177.57 177.83 1d0i h GLU 143 N 0.51 1.08 -0.16 1.57 4.39 -0.81 -1.13 114.58 120.02 1d0i h GLU 143 Ca 0.14 -0.06 -0.21 0.00 0.34 0.00 0.00 59.36 59.56 1d0i h GLU 143 Cb -0.05 -0.24 0.01 0.00 -0.10 0.00 0.00 28.75 28.37 1d0i h GLU 143 CO -0.04 0.71 -0.74 -0.09 -1.16 0.00 0.00 179.01 177.69 1d0i h ARG 144 N 1.11 0.76 -0.86 2.33 9.65 -1.03 -1.10 114.38 125.23 1d0i h ARG 144 Ca 0.34 -0.60 0.00 0.00 -1.10 0.00 0.00 59.98 58.62 1d0i h ARG 144 Cb -0.01 0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 28.64 1d0i h ARG 144 CO -0.10 1.21 0.54 0.82 2.80 0.00 0.00 179.97 185.25 1d0i h ILE 145 N 0.53 1.23 -0.55 1.20 1.08 -0.92 0.69 117.51 120.78 1d0i h ILE 145 Ca -0.04 -0.47 0.00 0.00 -0.39 0.00 0.00 64.86 63.96 1d0i h ILE 145 Cb 1.36 -0.01 -0.03 0.00 -3.07 0.00 0.00 36.82 35.08 1d0i h ILE 145 CO 0.15 0.23 0.34 0.00 -0.69 0.00 0.00 178.15 178.19 1d0i h ALA 146 N 1.30 0.69 -0.36 1.87 0.00 -1.00 0.40 119.26 122.16 1d0i h ALA 146 Ca 0.31 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 1d0i h ALA 146 Cb -0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1d0i h ALA 146 CO -0.06 0.16 -0.23 0.00 0.00 0.00 0.00 179.25 179.11 1d0i h ALA 147 N 1.18 0.91 -0.04 0.00 0.00 -0.70 -1.00 119.26 119.61 1d0i h ALA 147 Ca 0.20 -0.37 -0.18 0.00 0.00 0.00 0.00 54.91 54.56 1d0i h ALA 147 Cb -0.05 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.61 1d0i h ALA 147 CO -0.04 0.62 -0.66 -0.07 0.00 0.00 0.00 179.25 179.10 1d0i h LEU 148 N 0.63 0.65 -0.93 0.00 3.38 0.24 -3.12 115.31 116.16 1d0i h LEU 148 Ca 0.09 -0.71 -0.10 0.00 0.09 0.00 0.00 57.88 57.24 1d0i h LEU 148 Cb 0.73 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1d0i h LEU 148 CO 0.06 1.27 -0.50 0.00 0.09 0.00 0.00 178.44 179.37 1d0i h ALA 149 N 0.39 1.07 0.00 1.53 0.00 -0.24 -3.50 119.26 118.51 1d0i h ALA 149 Ca -0.07 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1d0i h ALA 149 Cb 1.34 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1d0i h ALA 149 CO 0.13 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.41