#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jml n SER -1 N 0.00 -0.46 -1.00 1.61 2.88 -1.26 -5.20 113.62 110.19 2jml n SER -1 Ca 0.00 -1.56 0.00 0.00 -1.33 0.00 0.00 58.87 55.98 2jml n SER -1 Cb 0.00 0.84 0.00 0.00 -0.75 0.00 0.00 64.21 64.30 2jml n SER -1 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2jml n HIS 0 N -0.17 0.00 -4.17 0.66 -0.00 -1.26 -5.21 115.22 105.07 2jml n HIS 0 Ca -0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.61 2jml n HIS 0 Cb 0.18 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.07 2jml n HIS 0 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 2jml s MET 1 N -1.46 1.02 -0.06 -0.41 -2.45 -1.26 -5.19 119.30 109.49 2jml s MET 1 Ca 0.00 -1.50 -0.04 0.00 -1.25 0.00 0.00 55.69 52.90 2jml s MET 1 Cb 0.00 0.22 0.03 0.00 1.25 0.00 0.00 34.83 36.33 2jml s MET 1 CO 0.00 -0.29 0.15 0.95 1.05 0.00 0.00 175.02 176.88 2jml s THR 2 N -4.06 -0.02 0.29 10.11 -4.23 -1.26 -4.80 115.64 111.67 2jml s THR 2 Ca 0.28 0.08 0.02 0.00 -1.18 0.00 0.00 61.69 60.90 2jml s THR 2 Cb 0.07 -0.23 -0.05 0.00 1.34 0.00 0.00 72.50 73.63 2jml s THR 2 CO 0.05 0.03 0.11 -0.76 -0.54 0.00 0.00 174.62 173.51 2jml s LEU 3 N 0.59 1.73 0.32 4.79 2.01 -1.20 -4.96 118.68 121.97 2jml s LEU 3 Ca -0.04 -1.46 0.08 0.00 0.01 0.00 0.00 54.13 52.72 2jml s LEU 3 Cb -0.06 0.02 -0.03 0.00 0.01 0.00 0.00 46.19 46.12 2jml s LEU 3 CO -0.03 -0.78 0.21 -0.13 1.01 0.00 0.00 176.35 176.63 2jml s ARG 4 N -3.93 2.60 0.37 1.70 0.52 -1.26 -0.23 118.95 118.71 2jml s ARG 4 Ca 0.36 -1.36 0.05 0.00 -0.52 0.00 0.00 55.73 54.26 2jml s ARG 4 Cb 0.07 -2.36 0.75 0.00 0.52 0.00 0.00 34.95 33.93 2jml s ARG 4 CO 0.15 0.15 2.00 0.97 0.02 0.00 0.00 175.30 178.60 2jml h ILE 5 N 1.42 1.08 -0.98 1.52 -0.00 -1.98 0.12 117.51 118.70 2jml h ILE 5 Ca -0.45 -0.25 0.21 0.00 -0.00 0.00 0.00 64.86 64.38 2jml h ILE 5 Cb 1.25 0.30 -0.09 0.00 -0.00 0.00 0.00 36.82 38.28 2jml h ILE 5 CO 0.60 0.13 0.62 0.03 -0.00 0.00 0.00 178.15 179.54 2jml h ARG 6 N 0.72 0.52 0.00 2.19 2.47 -1.98 0.21 114.38 118.52 2jml h ARG 6 Ca 0.25 -0.03 -0.04 0.00 -1.26 0.00 0.00 59.98 58.90 2jml h ARG 6 Cb 0.08 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.28 2jml h ARG 6 CO -0.07 0.35 -0.32 1.15 0.56 0.00 0.00 179.97 181.64 2jml h THR 7 N 0.54 0.25 0.10 2.04 2.02 -1.17 -2.34 112.91 114.35 2jml h THR 7 Ca 0.54 -1.37 -0.00 0.00 0.77 0.00 0.00 66.41 66.35 2jml h THR 7 Cb 1.16 2.05 0.00 0.00 -1.74 0.00 0.00 68.15 69.62 2jml h THR 7 CO -0.28 0.14 -0.05 0.40 0.37 0.00 0.00 175.52 176.10 2jml h ILE 8 N 0.00 1.11 -0.68 3.11 2.04 -0.64 -3.35 117.51 119.10 2jml h ILE 8 Ca -0.01 -1.25 0.02 0.00 1.00 0.00 0.00 64.86 64.62 2jml h ILE 8 Cb 1.13 1.85 -0.04 0.00 -0.74 0.00 0.00 36.82 39.02 2jml h ILE 8 CO 0.02 0.28 0.45 0.00 0.00 0.00 0.00 178.15 178.90 2jml h ALA 9 N -0.02 1.59 0.00 1.87 0.00 -0.73 -2.52 119.26 119.44 2jml h ALA 9 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2jml h ALA 9 Cb 0.57 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2jml h ALA 9 CO 0.02 0.36 0.09 2.89 0.00 0.00 0.00 179.25 182.61 2jml n ARG 10 N -4.45 0.08 -0.32 0.00 -4.01 -0.88 -0.68 116.66 106.40 2jml n ARG 10 Ca 0.08 0.55 0.13 0.00 -1.04 0.00 0.00 57.85 57.57 2jml n ARG 10 Cb 0.10 -1.85 0.36 0.00 -3.04 0.00 0.00 32.46 28.02 2jml n ARG 10 CO 0.00 0.00 0.00 0.52 -3.04 0.00 0.00 177.63 175.11 2jml h MET 11 N 0.00 0.70 0.00 2.89 2.86 -1.64 -3.38 114.93 116.36 2jml h MET 11 Ca 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2jml h MET 11 Cb 0.18 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.68 2jml h MET 11 CO 0.00 0.46 0.00 0.25 1.06 0.00 0.00 176.91 178.68 2jml n THR 12 N -4.65 0.00 0.00 2.22 -2.24 -0.89 -5.04 114.28 103.68 2jml n THR 12 Ca 0.21 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 2jml n THR 12 Cb 0.54 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 2jml n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jml n GLY 13 N 0.00 0.91 0.36 3.38 0.00 0.14 -4.67 105.19 105.31 2jml n GLY 13 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2jml n GLY 13 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2jml h ILE 14 N 0.00 0.89 0.00 -0.61 -0.00 -1.97 0.61 117.51 116.43 2jml h ILE 14 Ca 0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 64.86 64.69 2jml h ILE 14 Cb 0.00 0.35 0.00 0.00 -0.00 0.00 0.00 36.82 37.17 2jml h ILE 14 CO 0.00 0.09 0.00 0.54 -0.00 0.00 0.00 178.15 178.78 2jml n ARG 15 N -4.48 0.19 -0.20 0.16 5.12 -1.26 -3.85 116.66 112.33 2jml n ARG 15 Ca 0.12 0.33 -0.02 0.00 -1.93 0.00 0.00 57.85 56.35 2jml n ARG 15 Cb 0.39 -1.81 0.09 0.00 -1.16 0.00 0.00 32.46 29.97 2jml n ARG 15 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 2jml h GLU 16 N 0.00 0.52 -0.90 5.56 4.81 -1.13 0.91 114.58 124.36 2jml h GLU 16 Ca 0.00 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.26 2jml h GLU 16 Cb 0.47 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.67 2jml h GLU 16 CO 0.00 0.35 0.57 0.00 -0.73 0.00 0.00 179.01 179.19 2jml h ALA 17 N 1.35 1.22 -0.17 2.92 0.00 -1.76 0.72 119.26 123.55 2jml h ALA 17 Ca 0.28 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 2jml h ALA 17 Cb 0.24 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2jml h ALA 17 CO -0.22 0.34 -0.20 0.00 0.00 0.00 0.00 179.25 179.18 2jml h THR 18 N 1.04 1.34 0.25 0.00 1.03 -1.39 -1.70 112.91 113.49 2jml h THR 18 Ca 0.38 -1.38 -0.01 0.00 -0.01 0.00 0.00 66.41 65.39 2jml h THR 18 Cb 0.14 1.86 0.00 0.00 -1.07 0.00 0.00 68.15 69.08 2jml h THR 18 CO -0.16 0.41 -0.12 -0.07 -0.01 0.00 0.00 175.52 175.57 2jml h LEU 19 N 0.07 -0.28 -1.34 0.00 3.38 -0.58 0.19 115.31 116.74 2jml h LEU 19 Ca 0.02 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2jml h LEU 19 Cb 0.75 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2jml h LEU 19 CO 0.05 -0.17 -0.31 0.03 0.09 0.00 0.00 178.44 178.13 2jml h ARG 20 N -0.38 0.00 0.59 1.13 3.08 -0.96 -0.86 114.38 116.98 2jml h ARG 20 Ca -0.03 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 2jml h ARG 20 Cb 0.29 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.34 2jml h ARG 20 CO 0.06 0.31 -0.29 0.00 -1.07 0.00 0.00 179.97 178.98 2jml h ALA 21 N 1.69 -0.80 -0.83 0.04 0.00 -1.07 -3.33 119.26 114.97 2jml h ALA 21 Ca -0.00 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 54.85 2jml h ALA 21 Cb 0.63 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 2jml h ALA 21 CO 0.04 -0.85 0.54 -1.49 0.00 0.00 0.00 179.25 177.50 2jml h TRP 22 N -1.00 0.65 -1.12 0.00 6.55 0.10 0.30 115.95 121.44 2jml h TRP 22 Ca -0.08 0.02 0.31 0.00 0.95 0.00 0.00 58.89 60.09 2jml h TRP 22 Cb 0.67 -0.21 -0.09 0.00 -0.86 0.00 0.00 29.16 28.67 2jml h TRP 22 CO -0.00 0.24 0.74 1.49 -1.05 0.00 0.00 178.44 179.86 2jml h GLU 23 N 0.55 0.25 0.00 0.49 4.81 -1.29 0.27 114.58 119.66 2jml h GLU 23 Ca 0.41 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 2jml h GLU 23 Cb 0.80 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.12 2jml h GLU 23 CO -0.16 0.16 -1.46 0.54 -0.73 0.00 0.00 179.01 177.36 2jml n ARG 24 N -4.53 0.65 -0.05 1.92 5.12 0.83 -4.10 116.66 116.50 2jml n ARG 24 Ca 0.27 -0.10 -0.00 0.00 -1.93 0.00 0.00 57.85 56.09 2jml n ARG 24 Cb 1.05 -1.44 -0.16 0.00 -1.16 0.00 0.00 32.46 30.76 2jml n ARG 24 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2jml n ARG 25 N -1.86 0.73 0.00 5.56 5.12 0.18 -4.87 116.66 121.53 2jml n ARG 25 Ca -0.00 -0.10 0.00 0.00 -1.93 0.00 0.00 57.85 55.82 2jml n ARG 25 Cb 0.42 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.22 2jml n ARG 25 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2jml n TYR 26 N -2.49 0.00 0.00 -1.55 4.01 0.59 -4.99 117.16 112.74 2jml n TYR 26 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.56 2jml n TYR 26 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.88 2jml n TYR 26 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jml n GLY 27 N -0.19 0.25 3.83 2.72 0.00 0.62 -5.01 105.19 107.41 2jml n GLY 27 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2jml n GLY 27 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jml s PHE 28 N -2.00 3.74 0.42 1.61 2.19 -1.26 -2.30 117.98 120.38 2jml s PHE 28 Ca 0.00 1.10 -0.24 0.00 0.33 0.00 0.00 56.93 58.11 2jml s PHE 28 Cb 0.00 -2.37 -0.08 0.00 -1.31 0.00 0.00 43.02 39.26 2jml s PHE 28 CO 0.00 0.60 1.19 -1.25 1.83 0.00 0.00 175.22 177.59 2jml s PRO 29 N -1.22 3.92 -0.22 10.12 0.04 -1.26 -4.16 135.00 142.21 2jml s PRO 29 Ca 0.28 1.87 -0.10 0.00 0.04 0.00 0.00 61.00 63.08 2jml s PRO 29 Cb -0.17 -2.58 -0.05 0.00 0.04 0.00 0.00 34.50 31.74 2jml s PRO 29 CO 0.16 -0.45 0.14 -0.98 0.04 0.00 0.00 177.00 175.91 2jml s ARG 30 N -2.44 4.08 -0.09 4.56 1.70 -0.98 -4.81 118.95 120.96 2jml s ARG 30 Ca 0.60 -0.27 -0.30 0.00 -0.47 0.00 0.00 55.73 55.29 2jml s ARG 30 Cb -0.31 -3.46 -0.03 0.00 -0.57 0.00 0.00 34.95 30.58 2jml s ARG 30 CO 0.39 0.14 1.24 -1.25 -1.08 0.00 0.00 175.30 174.75 2jml s PRO 31 N 0.80 4.30 0.72 3.89 0.04 -1.26 -4.81 135.00 138.68 2jml s PRO 31 Ca 0.07 1.70 -0.13 0.00 0.04 0.00 0.00 61.00 62.67 2jml s PRO 31 Cb -0.13 -3.64 0.03 0.00 0.04 0.00 0.00 34.50 30.80 2jml s PRO 31 CO 0.02 -0.56 1.12 -0.48 0.04 0.00 0.00 177.00 177.14 2jml s LEU 32 N 2.74 3.24 0.79 -3.56 2.34 0.72 -4.61 118.68 120.34 2jml s LEU 32 Ca 0.56 2.00 -0.14 0.00 0.06 0.00 0.00 54.13 56.61 2jml s LEU 32 Cb -0.24 -4.55 0.04 0.00 -0.56 0.00 0.00 46.19 40.88 2jml s LEU 32 CO 0.20 -1.92 0.94 0.54 -1.06 0.00 0.00 176.35 175.05 2jml n ARG 33 N -2.89 0.23 -2.41 1.48 1.74 -1.26 -1.51 116.66 112.04 2jml n ARG 33 Ca 0.10 0.14 -0.04 0.00 -0.77 0.00 0.00 57.85 57.29 2jml n ARG 33 Cb 0.52 -2.22 -0.01 0.00 -1.02 0.00 0.00 32.46 29.73 2jml n ARG 33 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2jml n SER 34 N -2.17 0.44 -3.30 0.55 7.64 -1.26 -4.66 113.62 110.86 2jml n SER 34 Ca 0.12 -1.38 0.00 0.00 1.01 0.00 0.00 58.87 58.62 2jml n SER 34 Cb 0.50 0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.94 2jml n SER 34 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2jml n GLU 35 N -0.14 0.46 0.05 1.43 2.13 -1.25 -4.98 120.64 118.35 2jml n GLU 35 Ca 0.00 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.80 2jml n GLU 35 Cb 0.11 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.80 2jml n GLU 35 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2jml h GLY 36 N -0.14 -0.18 1.48 8.31 0.00 -2.03 -3.39 103.07 107.13 2jml h GLY 36 Ca 0.00 0.07 -0.24 0.00 0.00 0.00 0.00 47.33 47.15 2jml h GLY 36 CO 0.00 -0.06 -1.01 3.43 0.00 0.00 0.00 176.54 178.89 2jml h ASN 37 N -0.48 0.61 -2.81 0.19 2.35 -2.08 -3.43 115.58 109.93 2jml h ASN 37 Ca -0.02 -0.51 -0.57 0.00 -0.55 0.00 0.00 56.30 54.66 2jml h ASN 37 Cb 0.13 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 2jml h ASN 37 CO 0.03 1.31 1.18 0.21 -1.65 0.00 0.00 177.43 178.51 2jml s ASN 38 N -7.15 6.17 1.11 5.81 2.47 -1.26 -5.00 114.94 117.09 2jml s ASN 38 Ca -0.06 1.36 -0.14 0.00 0.42 0.00 0.00 52.86 54.44 2jml s ASN 38 Cb 0.08 -2.53 0.21 0.00 -1.45 0.00 0.00 41.25 37.56 2jml s ASN 38 CO 0.88 -1.47 0.75 -1.22 -3.72 0.00 0.00 177.10 172.33 2jml n TYR 39 N 9.26 -1.01 -1.72 0.43 4.01 -1.26 -3.80 117.16 123.06 2jml n TYR 39 Ca 0.20 0.02 -0.41 0.00 -0.16 0.00 0.00 57.90 57.56 2jml n TYR 39 Cb 0.46 -1.72 0.01 0.00 -0.31 0.00 0.00 39.34 37.79 2jml n TYR 39 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2jml n ARG 40 N -3.95 2.02 -4.46 -0.72 3.00 -1.26 -4.60 116.66 106.69 2jml n ARG 40 Ca 0.04 0.72 -0.22 0.00 -0.01 0.00 0.00 57.85 58.38 2jml n ARG 40 Cb 0.55 -2.46 -0.11 0.00 0.00 0.00 0.00 32.46 30.45 2jml n ARG 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2jml s VAL 41 N -1.20 1.40 0.01 1.55 -7.23 -0.57 -4.85 120.40 109.51 2jml s VAL 41 Ca 0.61 -2.03 0.05 0.00 -1.81 0.00 0.00 61.98 58.80 2jml s VAL 41 Cb -0.49 -2.71 -0.03 0.00 0.56 0.00 0.00 36.38 33.71 2jml s VAL 41 CO 0.58 -0.09 -0.11 -0.31 -0.31 0.00 0.00 175.10 174.85 2jml s TYR 42 N -3.16 2.76 0.47 2.82 1.51 0.67 -0.20 117.35 122.21 2jml s TYR 42 Ca 0.34 -0.13 -0.04 0.00 -1.01 0.00 0.00 57.07 56.23 2jml s TYR 42 Cb 0.08 -1.56 -0.03 0.00 -0.11 0.00 0.00 41.96 40.34 2jml s TYR 42 CO 0.15 0.32 0.75 -1.54 -1.11 0.00 0.00 175.55 174.11 2jml s SER 43 N -1.38 6.22 0.28 2.29 1.04 -1.26 -3.23 113.70 117.67 2jml s SER 43 Ca 0.16 0.82 0.04 0.00 0.48 0.00 0.00 55.95 57.45 2jml s SER 43 Cb -0.11 -2.17 0.42 0.00 0.10 0.00 0.00 66.02 64.27 2jml s SER 43 CO 0.06 -0.56 1.71 0.03 0.98 0.00 0.00 173.24 175.46 2jml h ARG 44 N 0.29 0.41 -0.08 4.02 2.47 -1.99 -1.19 114.38 118.31 2jml h ARG 44 Ca -0.47 -0.17 0.04 0.00 -1.26 0.00 0.00 59.98 58.12 2jml h ARG 44 Cb 1.21 -0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 29.45 2jml h ARG 44 CO 0.61 0.67 -0.37 1.05 0.56 0.00 0.00 179.97 182.49 2jml h GLU 45 N 0.36 -0.47 -0.33 0.04 4.11 -1.96 0.13 114.58 116.45 2jml h GLU 45 Ca 0.05 0.03 0.02 0.00 0.07 0.00 0.00 59.36 59.53 2jml h GLU 45 Cb 0.72 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 2jml h GLU 45 CO 0.05 -0.31 0.18 0.93 0.07 0.00 0.00 179.01 179.93 2jml h GLU 46 N -0.48 0.35 -0.02 1.06 4.39 -1.87 -0.36 114.58 117.66 2jml h GLU 46 Ca 0.07 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.78 2jml h GLU 46 Cb 0.60 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.14 2jml h GLU 46 CO -0.34 0.23 -0.16 0.28 -1.16 0.00 0.00 179.01 177.86 2jml h VAL 47 N 0.36 0.61 -0.45 3.13 2.07 -1.07 0.17 116.25 121.08 2jml h VAL 47 Ca 0.14 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.54 2jml h VAL 47 Cb 0.03 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2jml h VAL 47 CO -0.08 0.00 -0.16 1.05 0.02 0.00 0.00 177.57 178.39 2jml h GLU 48 N -0.25 0.91 0.14 1.57 -0.00 -0.63 0.27 114.58 116.59 2jml h GLU 48 Ca 0.06 -0.37 0.01 0.00 -0.00 0.00 0.00 59.36 59.05 2jml h GLU 48 Cb 0.33 -0.04 -0.02 0.00 -0.00 0.00 0.00 28.75 29.02 2jml h GLU 48 CO -0.16 1.03 -0.20 0.00 -0.00 0.00 0.00 179.01 179.67 2jml h ALA 49 N 0.86 -0.36 -0.33 1.06 0.00 -0.97 -1.09 119.26 118.43 2jml h ALA 49 Ca 0.11 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.02 2jml h ALA 49 Cb 0.72 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 2jml h ALA 49 CO 0.06 -0.73 0.08 0.28 0.00 0.00 0.00 179.25 178.93 2jml h VAL 50 N -0.39 0.86 -0.48 0.00 2.07 -0.55 0.18 116.25 117.95 2jml h VAL 50 Ca 0.02 -0.07 0.08 0.00 0.82 0.00 0.00 66.70 67.55 2jml h VAL 50 Cb 0.40 0.64 -0.07 0.00 -1.52 0.00 0.00 31.29 30.74 2jml h VAL 50 CO -0.09 0.04 0.06 -0.09 0.02 0.00 0.00 177.57 177.51 2jml h ARG 51 N 0.21 0.18 0.63 1.57 2.43 -0.71 0.37 114.38 119.06 2jml h ARG 51 Ca 0.15 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 2jml h ARG 51 Cb 0.15 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2jml h ARG 51 CO -0.18 0.12 -0.40 -0.09 -1.51 0.00 0.00 179.97 177.90 2jml h ARG 52 N 0.19 -0.95 -0.12 0.20 2.43 -0.55 -1.52 114.38 114.06 2jml h ARG 52 Ca 0.24 0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.52 2jml h ARG 52 Cb 0.33 0.22 -0.06 0.00 -0.42 0.00 0.00 29.97 30.03 2jml h ARG 52 CO -0.34 -0.63 -0.33 0.28 -1.51 0.00 0.00 179.97 177.43 2jml h VAL 53 N -0.99 0.27 -0.77 0.20 2.07 -0.38 0.56 116.25 117.21 2jml h VAL 53 Ca -0.08 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.56 2jml h VAL 53 Cb 0.80 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 2jml h VAL 53 CO 0.07 0.00 0.50 0.00 0.02 0.00 0.00 177.57 178.16 2jml h ALA 54 N 0.37 1.91 0.00 1.67 0.00 -0.26 0.18 119.26 123.13 2jml h ALA 54 Ca 0.09 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.79 2jml h ALA 54 Cb 0.56 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2jml h ALA 54 CO -0.35 -0.09 -1.09 -0.09 0.00 0.00 0.00 179.25 177.63 2jml h ARG 55 N 0.59 0.00 -0.74 0.00 1.12 -0.73 -3.27 114.38 111.36 2jml h ARG 55 Ca 0.37 0.00 -0.04 0.00 -1.11 0.00 0.00 59.98 59.20 2jml h ARG 55 Cb 0.61 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.54 2jml h ARG 55 CO -0.14 0.83 0.31 -0.07 -3.11 0.00 0.00 179.97 177.79 2jml h LEU 56 N 0.00 1.00 -1.35 3.80 -0.00 0.10 -3.04 115.31 115.82 2jml h LEU 56 Ca -0.07 -0.16 0.18 0.00 -0.00 0.00 0.00 57.88 57.83 2jml h LEU 56 Cb 1.77 -0.26 -0.07 0.00 -0.00 0.00 0.00 40.66 42.09 2jml h LEU 56 CO 0.11 0.89 0.59 0.40 -0.00 0.00 0.00 178.44 180.43 2jml h ILE 57 N 1.05 0.74 0.00 1.22 5.03 -0.73 -0.04 117.51 124.77 2jml h ILE 57 Ca 0.25 -0.19 0.00 0.00 -0.12 0.00 0.00 64.86 64.79 2jml h ILE 57 Cb 0.19 0.12 0.00 0.00 -3.03 0.00 0.00 36.82 34.10 2jml h ILE 57 CO -0.02 0.10 0.00 0.00 -0.68 0.00 0.00 178.15 177.55 2jml n GLN 58 N -4.57 0.14 0.09 2.37 1.13 -1.15 -2.11 117.38 113.28 2jml n GLN 58 Ca 0.19 0.53 0.12 0.00 -1.94 0.00 0.00 57.00 55.89 2jml n GLN 58 Cb 0.60 -1.86 0.01 0.00 0.11 0.00 0.00 30.24 29.10 2jml n GLN 58 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2jml n GLU 59 N -2.14 0.55 0.05 -1.09 1.02 -0.03 -4.93 120.64 114.06 2jml n GLU 59 Ca 0.00 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 2jml n GLU 59 Cb 0.11 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 2jml n GLU 59 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2jml n GLU 60 N -2.53 0.00 0.00 3.49 4.07 -0.97 -5.06 120.64 119.64 2jml n GLU 60 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2jml n GLU 60 Cb 0.53 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.91 2jml n GLU 60 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2jml n GLY 61 N -1.49 1.13 0.37 8.31 0.00 -0.89 -4.99 105.19 107.63 2jml n GLY 61 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 2jml n GLY 61 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2jml h LEU 62 N 0.00 0.63 0.00 0.99 5.85 -1.92 -0.27 115.31 120.59 2jml h LEU 62 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2jml h LEU 62 Cb 0.00 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.04 2jml h LEU 62 CO 0.00 0.14 0.10 -1.20 -0.34 0.00 0.00 178.44 177.14 2jml n SER 63 N -4.77 0.00 0.00 1.25 7.64 -1.26 -0.95 113.62 115.52 2jml n SER 63 Ca 0.25 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.47 2jml n SER 63 Cb 0.74 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 2jml n SER 63 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2jml n VAL 64 N -1.32 0.00 -0.15 0.44 0.31 -0.11 -0.94 118.33 116.57 2jml n VAL 64 Ca 0.00 1.44 -0.10 0.00 -0.01 0.00 0.00 64.34 65.67 2jml n VAL 64 Cb 0.10 -2.28 -0.01 0.00 -0.91 0.00 0.00 33.84 30.74 2jml n VAL 64 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2jml h SER 65 N 0.00 0.65 0.71 4.52 0.02 -1.48 -3.11 113.55 114.87 2jml h SER 65 Ca 0.00 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.67 2jml h SER 65 Cb 0.00 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 62.37 2jml h SER 65 CO 0.00 0.73 -0.34 -0.08 -1.14 0.00 0.00 176.83 176.00 2jml h GLU 66 N 0.55 -0.92 0.00 3.45 4.81 -1.12 -0.37 114.58 120.97 2jml h GLU 66 Ca 0.13 0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.36 2jml h GLU 66 Cb 0.34 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2jml h GLU 66 CO 0.00 -0.59 -0.31 0.00 -0.73 0.00 0.00 179.01 177.38 2jml h ALA 67 N -1.00 1.01 0.47 2.92 0.00 -1.18 0.21 119.26 121.70 2jml h ALA 67 Ca -0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 2jml h ALA 67 Cb 0.76 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2jml h ALA 67 CO 0.16 0.39 -0.23 0.82 0.00 0.00 0.00 179.25 180.39 2jml h ILE 68 N 0.00 0.51 -0.90 0.00 2.04 -1.56 0.05 117.51 117.65 2jml h ILE 68 Ca -0.00 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.64 2jml h ILE 68 Cb 0.83 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 2jml h ILE 68 CO 0.04 0.04 0.59 0.00 0.00 0.00 0.00 178.15 178.82 2jml h ALA 69 N -0.33 1.18 0.58 1.87 0.00 -0.49 0.54 119.26 122.61 2jml h ALA 69 Ca -0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 2jml h ALA 69 Cb 0.55 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2jml h ALA 69 CO 0.11 0.47 -0.45 1.96 0.00 0.00 0.00 179.25 181.33 2jml h GLN 70 N 1.15 -0.97 0.00 0.00 4.20 -0.63 -1.06 115.11 117.80 2jml h GLN 70 Ca 0.35 0.07 0.00 0.00 0.06 0.00 0.00 58.65 59.13 2jml h GLN 70 Cb -0.02 0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.98 2jml h GLN 70 CO -0.11 -0.65 0.00 -0.24 -0.67 0.00 0.00 178.83 177.16 2jml h VAL 71 N -1.01 0.00 0.04 -0.54 3.04 -0.66 0.27 116.25 117.38 2jml h VAL 71 Ca -0.07 -0.21 -0.23 0.00 -1.01 0.00 0.00 66.70 65.19 2jml h VAL 71 Cb 0.85 0.95 -0.00 0.00 -2.01 0.00 0.00 31.29 31.07 2jml h VAL 71 CO 0.00 0.00 -1.00 0.11 -1.01 0.00 0.00 177.57 175.67 2jml h LYS 72 N 0.00 0.27 0.00 4.17 1.79 -0.66 -3.37 116.57 118.77 2jml h LYS 72 Ca 0.00 -0.34 0.00 0.00 -2.18 0.00 0.00 60.65 58.13 2jml h LYS 72 Cb 0.28 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 2jml h LYS 72 CO 0.00 1.07 -1.42 -2.37 -1.08 0.00 0.00 179.45 175.65 2jml n THR 73 N -3.63 0.23 -1.82 -0.16 5.66 -0.37 -4.93 114.28 109.25 2jml n THR 73 Ca -0.06 -0.43 -0.32 0.00 -3.05 0.00 0.00 64.05 60.20 2jml n THR 73 Cb 0.88 -0.01 0.03 0.00 -1.55 0.00 0.00 70.33 69.68 2jml n THR 73 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2jml s GLU 74 N -3.37 3.16 0.33 1.09 2.02 0.79 -5.07 118.70 117.66 2jml s GLU 74 Ca -0.02 1.07 -0.27 0.00 0.02 0.00 0.00 54.97 55.77 2jml s GLU 74 Cb 0.13 -2.02 -0.09 0.00 0.10 0.00 0.00 34.13 32.25 2jml s GLU 74 CO 0.85 -0.93 1.05 -1.25 0.02 0.00 0.00 175.26 175.00 2jml s PRO 75 N -4.56 4.44 0.79 0.39 0.04 -1.26 -4.91 135.00 129.93 2jml s PRO 75 Ca 0.61 1.62 -0.11 0.00 0.04 0.00 0.00 61.00 63.15 2jml s PRO 75 Cb -0.15 -2.88 0.07 0.00 0.04 0.00 0.00 34.50 31.58 2jml s PRO 75 CO 0.46 0.08 1.09 -1.25 0.04 0.00 0.00 177.00 177.42 2jml s PRO 76 N -1.93 2.12 -0.23 0.56 0.04 -1.26 -5.09 135.00 129.22 2jml s PRO 76 Ca 0.50 0.81 -0.09 0.00 0.04 0.00 0.00 61.00 62.27 2jml s PRO 76 Cb -0.26 -1.91 0.09 0.00 0.04 0.00 0.00 34.50 32.46 2jml s PRO 76 CO 0.33 -1.64 0.50 0.50 0.04 0.00 0.00 177.00 176.74 2jml s ARG 77 N -5.05 0.44 0.00 4.56 3.52 -1.26 -5.25 118.95 115.91 2jml s ARG 77 Ca 0.61 1.11 0.00 0.00 -0.13 0.00 0.00 55.73 57.32 2jml s ARG 77 Cb -0.15 0.37 0.00 0.00 -1.56 0.00 0.00 34.95 33.61 2jml s ARG 77 CO 0.55 -0.21 0.00 -1.91 -0.81 0.00 0.00 175.30 172.92