#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 1.08 -4.28 1.61 3.41 -1.26 -5.18 113.62 109.01 2jml n SER -1 Ca 0.00 -0.79 -0.21 0.00 -0.26 0.00 0.00 58.87 57.60 2jml n SER -1 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 2jml n SER -1 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2jml s HIS 0 N -1.14 1.64 0.16 7.33 2.46 -1.26 -5.17 115.29 119.30 2jml s HIS 0 Ca 0.00 -0.47 -0.18 0.00 0.47 0.00 0.00 55.06 54.88 2jml s HIS 0 Cb 0.00 -0.87 0.04 0.00 -0.13 0.00 0.00 32.58 31.62 2jml s HIS 0 CO 0.00 0.21 0.48 -1.64 -2.47 0.00 0.00 174.74 171.32 2jml s MET 1 N -2.33 1.21 0.07 2.88 1.00 -1.26 -5.20 119.30 115.68 2jml s MET 1 Ca 0.09 -0.71 -0.24 0.00 0.00 0.00 0.00 55.69 54.83 2jml s MET 1 Cb -0.08 0.51 0.06 0.00 0.00 0.00 0.00 34.83 35.33 2jml s MET 1 CO 0.04 -0.50 0.57 0.95 0.00 0.00 0.00 175.02 176.08 2jml s THR 2 N -3.81 0.02 0.22 2.05 -4.23 -1.26 -5.19 115.64 103.43 2jml s THR 2 Ca 0.05 -0.14 0.03 0.00 -1.18 0.00 0.00 61.69 60.44 2jml s THR 2 Cb 0.00 -1.00 -0.05 0.00 1.34 0.00 0.00 72.50 72.79 2jml s THR 2 CO -0.09 -0.08 0.00 -0.76 -0.54 0.00 0.00 174.62 173.15 2jml s LEU 3 N -2.13 2.14 0.30 4.79 2.01 -1.26 -5.06 118.68 119.48 2jml s LEU 3 Ca -0.04 -1.22 0.03 0.00 0.01 0.00 0.00 54.13 52.91 2jml s LEU 3 Cb -0.00 -0.22 -0.06 0.00 0.01 0.00 0.00 46.19 45.92 2jml s LEU 3 CO -0.04 -0.54 0.08 0.00 1.01 0.00 0.00 176.35 176.86 2jml s ARG 4 N -3.88 1.57 0.24 1.70 1.70 -1.26 -0.72 118.95 118.30 2jml s ARG 4 Ca 0.28 -1.87 -0.05 0.00 -0.47 0.00 0.00 55.73 53.63 2jml s ARG 4 Cb 0.06 -0.62 0.45 0.00 -0.57 0.00 0.00 34.95 34.27 2jml s ARG 4 CO 0.08 -0.24 1.70 0.97 -1.08 0.00 0.00 175.30 176.73 2jml h ILE 5 N 2.20 0.56 -0.64 4.99 -0.00 -1.91 0.89 117.51 123.60 2jml h ILE 5 Ca -0.40 -0.11 0.16 0.00 -0.00 0.00 0.00 64.86 64.52 2jml h ILE 5 Cb 1.25 0.22 -0.03 0.00 -0.00 0.00 0.00 36.82 38.25 2jml h ILE 5 CO 0.66 0.06 0.45 -0.09 -0.00 0.00 0.00 178.15 179.22 2jml h ARG 6 N 0.32 0.16 0.00 2.19 2.43 -1.98 0.13 114.38 117.63 2jml h ARG 6 Ca 0.41 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.53 2jml h ARG 6 Cb 0.67 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 2jml h ARG 6 CO -0.47 0.11 -0.40 1.15 -1.51 0.00 0.00 179.97 178.85 2jml h THR 7 N 0.16 0.25 0.10 0.20 2.02 -1.24 -1.48 112.91 112.93 2jml h THR 7 Ca 0.31 -1.38 -0.00 0.00 0.77 0.00 0.00 66.41 66.11 2jml h THR 7 Cb 1.00 2.02 0.00 0.00 -1.74 0.00 0.00 68.15 69.43 2jml h THR 7 CO -0.05 0.14 -0.05 0.40 0.37 0.00 0.00 175.52 176.34 2jml h ILE 8 N 0.00 1.12 -0.93 3.11 2.04 -0.58 -3.34 117.51 118.93 2jml h ILE 8 Ca -0.01 -1.23 0.10 0.00 1.00 0.00 0.00 64.86 64.71 2jml h ILE 8 Cb 1.14 1.86 -0.08 0.00 -0.74 0.00 0.00 36.82 39.00 2jml h ILE 8 CO 0.02 0.28 0.57 0.00 0.00 0.00 0.00 178.15 179.02 2jml h ALA 9 N 0.01 1.35 0.00 1.87 0.00 -0.87 -2.36 119.26 119.26 2jml h ALA 9 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jml h ALA 9 Cb 0.56 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2jml h ALA 9 CO 0.02 0.22 0.17 0.07 0.00 0.00 0.00 179.25 179.74 2jml h ARG 10 N 0.95 0.00 -0.92 0.00 -0.00 -1.39 0.57 114.38 113.60 2jml h ARG 10 Ca 0.44 0.00 0.13 0.00 -0.00 0.00 0.00 59.98 60.56 2jml h ARG 10 Cb 0.37 0.00 -0.07 0.00 -0.00 0.00 0.00 29.97 30.26 2jml h ARG 10 CO -0.24 0.00 0.59 0.52 -0.00 0.00 0.00 179.97 180.84 2jml h MET 11 N 0.00 0.77 0.00 0.08 2.86 -1.59 -3.37 114.93 113.68 2jml h MET 11 Ca 0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2jml h MET 11 Cb 0.34 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.83 2jml h MET 11 CO 0.00 0.51 0.00 0.25 1.06 0.00 0.00 176.91 178.73 2jml n THR 12 N -4.58 0.00 0.00 2.22 -2.24 -1.06 -5.05 114.28 103.58 2jml n THR 12 Ca 0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 2jml n THR 12 Cb 0.42 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 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 1.05 0.38 3.38 0.00 0.17 -4.68 105.19 105.48 2jml n GLY 13 Ca 0.00 -0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 0.80 0.00 -0.61 -0.00 -1.97 0.73 117.51 116.46 2jml h ILE 14 Ca 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 64.86 64.68 2jml h ILE 14 Cb 0.00 0.22 0.00 0.00 -0.00 0.00 0.00 36.82 37.04 2jml h ILE 14 CO 0.00 0.10 0.00 0.03 -0.00 0.00 0.00 178.15 178.28 2jml h ARG 15 N 0.53 0.00 -0.78 0.16 2.47 -1.85 -3.26 114.38 111.65 2jml h ARG 15 Ca 0.42 0.00 0.08 0.00 -1.26 0.00 0.00 59.98 59.22 2jml h ARG 15 Cb 0.84 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.09 2jml h ARG 15 CO -0.16 0.00 0.45 1.49 0.56 0.00 0.00 179.97 182.31 2jml h GLU 16 N 0.00 0.76 -0.07 0.04 4.81 -1.11 0.23 114.58 119.24 2jml h GLU 16 Ca 0.00 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2jml h GLU 16 Cb 0.41 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 2jml h GLU 16 CO 0.00 0.50 0.07 0.00 -0.73 0.00 0.00 179.01 178.85 2jml h ALA 17 N 1.42 1.76 0.06 2.92 0.00 -1.75 0.48 119.26 124.15 2jml h ALA 17 Ca 0.37 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.98 2jml h ALA 17 Cb 0.28 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2jml h ALA 17 CO -0.22 -0.10 -1.59 1.15 0.00 0.00 0.00 179.25 178.49 2jml h THR 18 N 0.00 0.80 0.18 0.00 2.02 -1.20 -3.22 112.91 111.48 2jml h THR 18 Ca 0.03 -2.26 0.00 0.00 0.77 0.00 0.00 66.41 64.95 2jml h THR 18 Cb 0.17 2.37 -0.02 0.00 -1.74 0.00 0.00 68.15 68.93 2jml h THR 18 CO -0.00 0.59 -0.19 -0.07 0.37 0.00 0.00 175.52 176.22 2jml h LEU 19 N -0.50 -0.50 -1.43 2.58 3.38 -0.35 0.59 115.31 119.08 2jml h LEU 19 Ca -0.38 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.58 2jml h LEU 19 Cb 1.65 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.57 2jml h LEU 19 CO -0.06 -0.28 -0.29 0.08 0.09 0.00 0.00 178.44 177.98 2jml h ARG 20 N -0.40 0.00 0.53 1.13 0.11 -1.12 -1.31 114.38 113.32 2jml h ARG 20 Ca 0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.06 2jml h ARG 20 Cb 0.38 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.47 2jml h ARG 20 CO -0.05 0.29 -0.26 0.00 0.10 0.00 0.00 179.97 180.05 2jml h ALA 21 N 1.71 -0.72 -0.90 0.08 0.00 -1.51 -3.22 119.26 114.71 2jml h ALA 21 Ca -0.00 -0.19 0.20 0.00 0.00 0.00 0.00 54.91 54.91 2jml h ALA 21 Cb 0.51 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 2jml h ALA 21 CO 0.04 -0.80 0.59 -1.49 0.00 0.00 0.00 179.25 177.59 2jml h TRP 22 N -0.93 0.57 -1.01 0.00 6.55 -0.45 0.80 115.95 121.48 2jml h TRP 22 Ca -0.07 0.02 0.25 0.00 0.95 0.00 0.00 58.89 60.03 2jml h TRP 22 Cb 0.62 -0.17 -0.12 0.00 -0.86 0.00 0.00 29.16 28.63 2jml h TRP 22 CO -0.00 0.16 0.61 1.49 -1.05 0.00 0.00 178.44 179.64 2jml h GLU 23 N 0.43 0.53 0.00 0.49 4.81 -1.26 0.32 114.58 119.91 2jml h GLU 23 Ca 0.47 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 2jml h GLU 23 Cb 1.13 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.39 2jml h GLU 23 CO -0.18 0.35 -1.78 -2.13 -0.73 0.00 0.00 179.01 174.53 2jml n ARG 24 N -4.84 0.53 -0.01 1.92 0.63 -0.19 -4.01 116.66 110.69 2jml n ARG 24 Ca 0.27 -0.16 -0.11 0.00 -0.92 0.00 0.00 57.85 56.93 2jml n ARG 24 Cb 0.77 -1.52 -0.14 0.00 0.45 0.00 0.00 32.46 32.02 2jml n ARG 24 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2jml h ARG 25 N 0.00 0.05 0.00 -0.14 2.43 -0.01 -3.45 114.38 113.25 2jml h ARG 25 Ca 0.00 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2jml h ARG 25 Cb 0.90 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 2jml h ARG 25 CO 0.00 0.66 0.00 0.66 -1.51 0.00 0.00 179.97 179.78 2jml n TYR 26 N -3.15 0.00 0.00 2.20 4.01 0.27 -5.01 117.16 115.49 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 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.08 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 0.03 0.36 3.81 2.72 0.00 0.86 -5.01 105.19 107.96 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 3.78 0.45 1.61 2.19 -1.26 -2.30 117.98 120.45 2jml s PHE 28 Ca 0.00 1.33 -0.24 0.00 0.33 0.00 0.00 56.93 58.35 2jml s PHE 28 Cb 0.00 -2.55 -0.08 0.00 -1.31 0.00 0.00 43.02 39.09 2jml s PHE 28 CO 0.00 0.52 1.27 -1.25 1.83 0.00 0.00 175.22 177.59 2jml s PRO 29 N -1.34 3.74 -0.23 10.12 0.04 -1.26 -4.35 135.00 141.72 2jml s PRO 29 Ca 0.33 2.06 -0.17 0.00 0.04 0.00 0.00 61.00 63.26 2jml s PRO 29 Cb -0.19 -2.55 -0.03 0.00 0.04 0.00 0.00 34.50 31.76 2jml s PRO 29 CO 0.21 -0.65 0.45 0.50 0.04 0.00 0.00 177.00 177.54 2jml s ARG 30 N -2.51 4.13 0.45 4.56 3.52 -0.97 -4.91 118.95 123.21 2jml s ARG 30 Ca 0.62 0.24 -0.25 0.00 -0.13 0.00 0.00 55.73 56.22 2jml s ARG 30 Cb -0.36 -3.59 -0.08 0.00 -1.56 0.00 0.00 34.95 29.37 2jml s ARG 30 CO 0.44 -0.18 1.32 -1.25 -0.81 0.00 0.00 175.30 174.83 2jml s PRO 31 N 1.74 3.73 0.57 5.12 0.04 -1.26 -4.83 135.00 140.10 2jml s PRO 31 Ca 0.20 2.17 -0.17 0.00 0.04 0.00 0.00 61.00 63.24 2jml s PRO 31 Cb -0.15 -2.59 -0.05 0.00 0.04 0.00 0.00 34.50 31.75 2jml s PRO 31 CO 0.09 -0.70 1.06 -0.51 0.04 0.00 0.00 177.00 176.98 2jml s LEU 32 N -2.78 3.58 0.86 -3.56 1.43 0.35 -4.96 118.68 113.61 2jml s LEU 32 Ca 0.61 1.86 -0.11 0.00 -1.03 0.00 0.00 54.13 55.46 2jml s LEU 32 Cb -0.38 -4.54 0.11 0.00 0.03 0.00 0.00 46.19 41.41 2jml s LEU 32 CO 0.48 -1.10 1.09 -0.13 0.23 0.00 0.00 176.35 176.93 2jml s ARG 33 N -3.87 1.50 0.17 1.70 0.52 -1.26 -4.36 118.95 113.36 2jml s ARG 33 Ca 0.65 1.04 -0.24 0.00 -0.52 0.00 0.00 55.73 56.66 2jml s ARG 33 Cb -0.17 -1.82 0.06 0.00 0.52 0.00 0.00 34.95 33.55 2jml s ARG 33 CO 0.33 -2.14 0.95 -1.12 0.02 0.00 0.00 175.30 173.35 2jml s SER 34 N -3.28 -0.16 -0.01 0.23 0.01 -1.26 -4.95 113.70 104.29 2jml s SER 34 Ca 0.63 -0.47 -0.24 0.00 1.31 0.00 0.00 55.95 57.19 2jml s SER 34 Cb -0.19 0.51 -0.15 0.00 0.21 0.00 0.00 66.02 66.41 2jml s SER 34 CO 0.57 -0.96 1.09 1.05 0.41 0.00 0.00 173.24 175.40 2jml h GLU 35 N 2.00 -0.44 0.00 12.44 9.09 -1.97 -3.49 114.58 132.20 2jml h GLU 35 Ca -0.24 0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.20 2jml h GLU 35 Cb 1.23 0.10 0.00 0.00 -1.65 0.00 0.00 28.75 28.43 2jml h GLU 35 CO 0.27 -0.12 0.00 0.41 0.05 0.00 0.00 179.01 179.62 2jml n GLY 36 N -0.12 -1.49 0.35 1.06 0.00 -1.26 -4.98 105.19 98.75 2jml n GLY 36 Ca -0.09 0.54 -0.05 0.00 0.00 0.00 0.00 46.02 46.42 2jml n GLY 36 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2jml h ASN 37 N 0.00 1.10 -3.07 1.61 4.21 -2.06 -3.39 115.58 113.98 2jml h ASN 37 Ca 0.00 -0.14 -0.57 0.00 1.21 0.00 0.00 56.30 56.80 2jml h ASN 37 Cb 0.00 -0.28 -0.04 0.00 -1.12 0.00 0.00 38.32 36.87 2jml h ASN 37 CO 0.00 0.94 1.11 0.21 -1.29 0.00 0.00 177.43 178.41 2jml s ASN 38 N -6.32 6.27 1.34 5.81 2.47 -1.26 -5.01 114.94 118.24 2jml s ASN 38 Ca -0.12 1.06 -0.20 0.00 0.42 0.00 0.00 52.86 54.02 2jml s ASN 38 Cb 0.16 -2.54 0.34 0.00 -1.45 0.00 0.00 41.25 37.77 2jml s ASN 38 CO 0.83 -1.44 0.96 -0.31 -3.72 0.00 0.00 177.10 173.43 2jml s TYR 39 N 5.63 0.02 -1.08 0.43 2.02 -1.26 -4.60 117.35 118.51 2jml s TYR 39 Ca 0.66 0.75 -0.26 0.00 -0.37 0.00 0.00 57.07 57.86 2jml s TYR 39 Cb -0.17 -2.98 -0.18 0.00 -0.40 0.00 0.00 41.96 38.23 2jml s TYR 39 CO 0.32 -4.63 2.09 1.03 -1.57 0.00 0.00 175.55 172.78 2jml s ARG 40 N -4.89 1.57 0.69 -0.62 0.52 -1.26 -4.90 118.95 110.07 2jml s ARG 40 Ca 0.69 -0.55 -0.11 0.00 -0.52 0.00 0.00 55.73 55.23 2jml s ARG 40 Cb -0.17 -5.04 0.01 0.00 0.52 0.00 0.00 34.95 30.27 2jml s ARG 40 CO 0.60 -5.00 1.08 0.14 0.02 0.00 0.00 175.30 172.14 2jml s VAL 41 N 15.18 3.81 0.14 3.52 -7.23 -1.26 -3.68 120.40 130.88 2jml s VAL 41 Ca 0.79 0.59 0.01 0.00 -1.81 0.00 0.00 61.98 61.55 2jml s VAL 41 Cb -0.05 -3.52 -0.04 0.00 0.56 0.00 0.00 36.38 33.33 2jml s VAL 41 CO 0.16 -0.77 -0.00 -0.31 -0.31 0.00 0.00 175.10 173.86 2jml s TYR 42 N -3.25 1.03 0.20 2.82 1.51 0.10 -0.49 117.35 119.26 2jml s TYR 42 Ca 0.58 -1.04 0.04 0.00 -1.01 0.00 0.00 57.07 55.64 2jml s TYR 42 Cb -0.12 -0.59 -0.03 0.00 -0.11 0.00 0.00 41.96 41.11 2jml s TYR 42 CO 0.53 -0.27 0.29 -1.54 -1.11 0.00 0.00 175.55 173.45 2jml s SER 43 N -3.10 6.15 0.35 2.29 1.04 -1.26 -4.47 113.70 114.68 2jml s SER 43 Ca 0.20 0.05 0.10 0.00 0.48 0.00 0.00 55.95 56.78 2jml s SER 43 Cb 0.06 -1.78 0.64 0.00 0.10 0.00 0.00 66.02 65.04 2jml s SER 43 CO 0.01 -0.01 1.80 0.03 0.98 0.00 0.00 173.24 176.05 2jml h ARG 44 N 1.70 0.12 -0.76 4.02 -0.00 -2.00 -2.35 114.38 115.11 2jml h ARG 44 Ca -0.50 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.98 58.89 2jml h ARG 44 Cb 1.21 -0.01 -0.03 0.00 0.00 0.00 0.00 29.97 31.15 2jml h ARG 44 CO 0.64 0.46 0.27 1.05 0.00 0.00 0.00 179.97 182.39 2jml h GLU 45 N 0.10 1.15 -0.11 0.04 4.11 -1.99 0.13 114.58 118.02 2jml h GLU 45 Ca 0.01 -0.22 -0.00 0.00 0.07 0.00 0.00 59.36 59.22 2jml h GLU 45 Cb 0.67 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2jml h GLU 45 CO 0.05 0.95 0.06 0.93 0.07 0.00 0.00 179.01 181.07 2jml h GLU 46 N 1.11 0.15 -0.81 1.06 4.39 -1.93 -1.82 114.58 116.74 2jml h GLU 46 Ca 0.25 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.99 2jml h GLU 46 Cb 0.26 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.82 2jml h GLU 46 CO -0.01 0.18 0.49 0.28 -1.16 0.00 0.00 179.01 178.78 2jml h VAL 47 N 0.09 1.02 0.31 3.13 2.07 -1.06 0.22 116.25 122.02 2jml h VAL 47 Ca 0.04 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.25 2jml h VAL 47 Cb 0.07 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 29.87 2jml h VAL 47 CO -0.01 0.16 -0.34 -0.08 0.02 0.00 0.00 177.57 177.33 2jml h GLU 48 N 0.89 -0.66 0.15 1.57 4.57 -0.57 0.25 114.58 120.78 2jml h GLU 48 Ca 0.35 0.04 0.02 0.00 -1.18 0.00 0.00 59.36 58.60 2jml h GLU 48 Cb 0.18 0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 28.88 2jml h GLU 48 CO -0.18 -0.44 -0.31 0.00 -1.18 0.00 0.00 179.01 176.91 2jml h ALA 49 N -0.17 -0.55 -0.39 2.92 0.00 -1.05 -2.07 119.26 117.95 2jml h ALA 49 Ca -0.01 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.89 2jml h ALA 49 Cb 0.63 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 2jml h ALA 49 CO -0.08 -0.86 0.13 0.28 0.00 0.00 0.00 179.25 178.72 2jml h VAL 50 N -0.55 0.87 -0.76 0.00 2.07 -0.47 0.17 116.25 117.58 2jml h VAL 50 Ca 0.02 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.46 2jml h VAL 50 Cb 0.57 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 2jml h VAL 50 CO -0.16 0.05 0.49 -0.09 0.02 0.00 0.00 177.57 177.89 2jml h ARG 51 N 0.28 0.96 0.81 1.57 1.12 -0.39 0.38 114.38 119.11 2jml h ARG 51 Ca 0.18 -0.06 -0.04 0.00 -1.11 0.00 0.00 59.98 58.95 2jml h ARG 51 Cb 0.17 -0.22 0.01 0.00 -0.01 0.00 0.00 29.97 29.92 2jml h ARG 51 CO -0.19 0.64 -0.39 0.00 -3.11 0.00 0.00 179.97 176.92 2jml h ARG 52 N 0.99 -1.05 -0.29 0.20 3.08 -0.90 -2.62 114.38 113.79 2jml h ARG 52 Ca 0.29 0.07 0.06 0.00 0.07 0.00 0.00 59.98 60.47 2jml h ARG 52 Cb -0.07 0.24 -0.08 0.00 0.08 0.00 0.00 29.97 30.14 2jml h ARG 52 CO -0.08 -0.69 -0.36 0.28 -1.07 0.00 0.00 179.97 178.05 2jml h VAL 53 N -1.16 0.20 0.00 2.04 2.07 -0.36 0.43 116.25 119.48 2jml h VAL 53 Ca -0.11 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2jml h VAL 53 Cb 0.85 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2jml h VAL 53 CO 0.18 0.00 -0.06 0.00 0.02 0.00 0.00 177.57 177.71 2jml h ALA 54 N 0.50 1.59 -0.03 1.67 0.00 -0.35 0.21 119.26 122.85 2jml h ALA 54 Ca 0.13 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 2jml h ALA 54 Cb 0.57 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.36 2jml h ALA 54 CO -0.48 0.08 -0.57 0.00 0.00 0.00 0.00 179.25 178.29 2jml h ARG 55 N 0.00 0.44 -0.91 0.00 2.47 -0.94 -3.25 114.38 112.19 2jml h ARG 55 Ca -0.00 -0.43 0.10 0.00 -1.26 0.00 0.00 59.98 58.39 2jml h ARG 55 Cb 0.14 0.11 -0.08 0.00 -1.65 0.00 0.00 29.97 28.50 2jml h ARG 55 CO 0.01 1.08 0.55 -0.07 0.56 0.00 0.00 179.97 182.10 2jml h LEU 56 N -0.03 0.82 -0.95 3.04 -0.00 0.35 -1.63 115.31 116.90 2jml h LEU 56 Ca -0.06 0.04 0.12 0.00 -0.00 0.00 0.00 57.88 57.98 2jml h LEU 56 Cb 1.25 -0.12 -0.08 0.00 -0.00 0.00 0.00 40.66 41.71 2jml h LEU 56 CO 0.11 0.46 0.58 0.40 -0.00 0.00 0.00 178.44 180.00 2jml h ILE 57 N 0.92 0.90 0.00 1.22 5.03 -0.73 -1.14 117.51 123.71 2jml h ILE 57 Ca 0.44 -0.31 0.00 0.00 -0.12 0.00 0.00 64.86 64.86 2jml h ILE 57 Cb 0.38 -0.10 0.00 0.00 -3.03 0.00 0.00 36.82 34.06 2jml h ILE 57 CO -0.24 0.17 0.00 0.00 -0.68 0.00 0.00 178.15 177.40 2jml n GLN 58 N -4.67 0.09 0.03 2.37 1.13 -0.62 -1.17 117.38 114.54 2jml n GLN 58 Ca 0.18 0.46 0.01 0.00 -1.94 0.00 0.00 57.00 55.71 2jml n GLN 58 Cb 0.35 -1.72 -0.08 0.00 0.11 0.00 0.00 30.24 28.91 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 -1.89 0.62 0.00 -1.09 1.02 -0.43 -4.90 120.64 113.97 2jml n GLU 59 Ca 0.01 0.19 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 2jml n GLU 59 Cb 0.10 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 29.73 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 -2.84 0.00 0.00 3.49 0.00 -0.94 -5.06 120.64 115.29 2jml n GLU 60 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.07 2jml n GLU 60 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.26 2jml n GLU 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2jml n GLY 61 N -0.83 2.83 0.38 8.31 0.00 -0.32 -4.87 105.19 110.69 2jml n GLY 61 Ca 0.00 -0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.26 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 0.48 -0.25 0.99 5.85 -1.91 0.50 115.31 120.97 2jml h LEU 62 Ca 0.00 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2jml h LEU 62 Cb 0.00 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2jml h LEU 62 CO 0.00 -0.03 0.10 -1.20 -0.34 0.00 0.00 178.44 176.97 2jml n SER 63 N -4.83 0.10 0.12 1.25 7.64 -1.26 -1.05 113.62 115.59 2jml n SER 63 Ca 0.30 0.46 -0.16 0.00 1.01 0.00 0.00 58.87 60.49 2jml n SER 63 Cb 0.98 -0.47 -0.09 0.00 -1.01 0.00 0.00 64.21 63.63 2jml n SER 63 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2jml h VAL 64 N 0.00 0.08 0.22 0.44 2.07 -1.22 -0.15 116.25 117.68 2jml h VAL 64 Ca 0.00 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.21 2jml h VAL 64 Cb 0.20 0.08 0.03 0.00 -1.52 0.00 0.00 31.29 30.07 2jml h VAL 64 CO 0.00 0.00 -1.42 -1.28 0.02 0.00 0.00 177.57 174.89 2jml h SER 65 N -0.72 0.72 0.59 0.57 0.87 -1.31 -3.33 113.55 110.94 2jml h SER 65 Ca 0.01 -0.93 -0.03 0.00 -1.23 0.00 0.00 61.79 59.61 2jml h SER 65 Cb 0.73 -0.23 0.01 0.00 -0.44 0.00 0.00 62.40 62.47 2jml h SER 65 CO -0.26 1.67 -0.29 -0.33 -0.53 0.00 0.00 176.83 177.10 2jml h GLU 66 N 0.02 -0.77 0.00 2.24 5.08 -1.19 -0.67 114.58 119.30 2jml h GLU 66 Ca -0.26 0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.11 2jml h GLU 66 Cb 2.04 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 31.46 2jml h GLU 66 CO 0.22 -0.47 -0.18 0.00 -1.00 0.00 0.00 179.01 177.58 2jml h ALA 67 N -1.03 1.09 0.45 3.43 0.00 -1.23 0.28 119.26 122.24 2jml h ALA 67 Ca -0.08 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2jml h ALA 67 Cb 0.65 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2jml h ALA 67 CO 0.13 0.23 -0.21 0.82 0.00 0.00 0.00 179.25 180.22 2jml h ILE 68 N 0.00 0.51 -0.59 0.00 2.04 -1.62 -0.19 117.51 117.66 2jml h ILE 68 Ca -0.00 -0.36 0.07 0.00 1.00 0.00 0.00 64.86 65.57 2jml h ILE 68 Cb 0.61 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 37.30 2jml h ILE 68 CO 0.02 0.06 0.27 0.00 0.00 0.00 0.00 178.15 178.50 2jml h ALA 69 N -0.40 0.77 0.14 1.87 0.00 -0.10 -0.01 119.26 121.52 2jml h ALA 69 Ca -0.06 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jml h ALA 69 Cb 0.56 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2jml h ALA 69 CO 0.10 -0.11 -0.23 1.96 0.00 0.00 0.00 179.25 180.97 2jml h GLN 70 N 0.49 -0.37 0.00 0.00 7.50 -0.56 0.14 115.11 122.31 2jml h GLN 70 Ca 0.28 0.03 -0.01 0.00 0.50 0.00 0.00 58.65 59.45 2jml h GLN 70 Cb 0.27 0.08 -0.00 0.00 0.05 0.00 0.00 27.48 27.88 2jml h GLN 70 CO -0.23 -0.25 -0.05 -0.24 -1.50 0.00 0.00 178.83 176.56 2jml h VAL 71 N -0.39 0.58 0.00 -0.54 3.04 -0.69 0.26 116.25 118.51 2jml h VAL 71 Ca -0.02 -0.20 -0.11 0.00 -1.01 0.00 0.00 66.70 65.36 2jml h VAL 71 Cb 0.36 1.13 -0.02 0.00 -2.01 0.00 0.00 31.29 30.75 2jml h VAL 71 CO -0.07 0.05 -0.68 0.11 -1.01 0.00 0.00 177.57 175.96 2jml h LYS 72 N 0.00 0.00 0.00 4.17 1.57 -0.94 -3.35 116.57 118.02 2jml h LYS 72 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jml h LYS 72 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2jml h LYS 72 CO 0.01 0.43 -1.24 -2.37 -0.57 0.00 0.00 179.45 175.71 2jml n THR 73 N -3.14 0.29 -1.86 -0.16 5.66 0.03 -4.89 114.28 110.21 2jml n THR 73 Ca -0.00 -0.41 -0.34 0.00 -3.05 0.00 0.00 64.05 60.25 2jml n THR 73 Cb 0.74 -0.04 0.04 0.00 -1.55 0.00 0.00 70.33 69.53 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 -3.33 2.91 0.69 1.09 2.02 0.75 -5.06 118.70 117.77 2jml s GLU 74 Ca -0.00 1.46 -0.11 0.00 0.02 0.00 0.00 54.97 56.33 2jml s GLU 74 Cb 0.13 -1.96 0.01 0.00 0.10 0.00 0.00 34.13 32.40 2jml s GLU 74 CO 0.82 -1.17 1.06 -1.25 0.02 0.00 0.00 175.26 174.74 2jml s PRO 75 N -3.90 2.92 -1.21 0.39 0.04 -1.26 -4.93 135.00 127.05 2jml s PRO 75 Ca 0.69 0.99 -0.09 0.00 0.04 0.00 0.00 61.00 62.62 2jml s PRO 75 Cb -0.22 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.27 2jml s PRO 75 CO 0.38 -1.11 2.41 -0.35 0.04 0.00 0.00 177.00 178.37 2jml n PRO 76 N -3.08 2.68 -3.68 0.56 -0.04 -1.26 -4.71 135.00 125.47 2jml n PRO 76 Ca 0.08 -1.86 -0.09 0.00 -0.04 0.00 0.00 63.50 61.59 2jml n PRO 76 Cb 0.53 -2.69 -0.10 0.00 -0.04 0.00 0.00 33.50 31.20 2jml n PRO 76 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2jml s ARG 77 N 3.09 0.39 0.00 0.54 0.52 -1.26 -5.28 118.95 116.95 2jml s ARG 77 Ca 0.53 0.92 0.14 0.00 -0.52 0.00 0.00 55.73 56.80 2jml s ARG 77 Cb 0.14 0.14 0.11 0.00 0.52 0.00 0.00 34.95 35.85 2jml s ARG 77 CO -0.03 -0.19 0.95 -1.91 0.02 0.00 0.00 175.30 174.13