#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 0.88 -4.77 1.61 2.88 -1.26 -5.20 113.62 107.76 2jml n SER -1 Ca 0.00 -0.56 -0.33 0.00 -1.33 0.00 0.00 58.87 56.65 2jml n SER -1 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 2jml n SER -1 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2jml s HIS 0 N -0.92 1.82 -0.09 0.66 4.02 -1.26 -5.17 115.29 114.35 2jml s HIS 0 Ca 0.00 -0.97 -0.01 0.00 1.02 0.00 0.00 55.06 55.10 2jml s HIS 0 Cb 0.00 -1.60 -0.03 0.00 -1.02 0.00 0.00 32.58 29.93 2jml s HIS 0 CO 0.00 0.21 -0.04 -1.64 1.02 0.00 0.00 174.74 174.28 2jml s MET 1 N -3.89 3.04 0.03 1.40 1.00 -1.26 -5.14 119.30 114.48 2jml s MET 1 Ca 0.04 -0.51 -0.27 0.00 0.00 0.00 0.00 55.69 54.95 2jml s MET 1 Cb 0.01 -2.72 0.08 0.00 0.00 0.00 0.00 34.83 32.20 2jml s MET 1 CO 0.02 0.57 0.70 0.95 0.00 0.00 0.00 175.02 177.25 2jml s THR 2 N -0.53 0.00 0.23 2.05 -4.23 -1.26 -4.85 115.64 107.05 2jml s THR 2 Ca 0.08 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.58 2jml s THR 2 Cb -0.12 -1.00 -0.03 0.00 1.34 0.00 0.00 72.50 72.69 2jml s THR 2 CO 0.02 0.00 0.21 -0.76 -0.54 0.00 0.00 174.62 173.55 2jml s LEU 3 N -1.96 1.10 0.28 4.79 1.02 -1.24 -5.01 118.68 117.66 2jml s LEU 3 Ca -0.04 -1.37 0.05 0.00 0.02 0.00 0.00 54.13 52.79 2jml s LEU 3 Cb -0.01 0.64 -0.02 0.00 0.02 0.00 0.00 46.19 46.82 2jml s LEU 3 CO -0.02 -0.93 0.40 -0.13 0.02 0.00 0.00 176.35 175.70 2jml s ARG 4 N -4.01 3.34 0.37 1.70 0.52 -1.26 -1.39 118.95 118.22 2jml s ARG 4 Ca 0.37 -0.82 0.12 0.00 -0.52 0.00 0.00 55.73 54.88 2jml s ARG 4 Cb 0.05 -2.86 0.91 0.00 0.52 0.00 0.00 34.95 33.57 2jml s ARG 4 CO 0.14 0.30 1.83 0.97 0.02 0.00 0.00 175.30 178.56 2jml h ILE 5 N 1.06 0.72 -0.61 1.52 -0.00 -1.96 -0.21 117.51 118.04 2jml h ILE 5 Ca -0.50 -0.20 0.11 0.00 -0.00 0.00 0.00 64.86 64.26 2jml h ILE 5 Cb 1.24 0.08 -0.08 0.00 -0.00 0.00 0.00 36.82 38.05 2jml h ILE 5 CO 0.58 0.11 0.18 0.03 -0.00 0.00 0.00 178.15 179.05 2jml h ARG 6 N 0.59 0.32 -0.40 2.19 -0.00 -1.98 0.24 114.38 115.34 2jml h ARG 6 Ca 0.50 -0.02 -0.09 0.00 -0.50 0.00 0.00 59.98 59.87 2jml h ARG 6 Cb 0.99 -0.07 -0.01 0.00 0.00 0.00 0.00 29.97 30.88 2jml h ARG 6 CO -0.25 0.21 -0.11 1.15 0.00 0.00 0.00 179.97 180.97 2jml h THR 7 N 0.33 1.28 -0.24 2.04 2.02 -1.45 -0.83 112.91 116.05 2jml h THR 7 Ca 0.32 -1.20 -0.02 0.00 0.77 0.00 0.00 66.41 66.28 2jml h THR 7 Cb 0.44 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 2jml h THR 7 CO -0.36 0.40 0.09 0.40 0.37 0.00 0.00 175.52 176.42 2jml h ILE 8 N 0.58 1.18 -0.50 3.11 2.04 -0.92 -3.00 117.51 120.00 2jml h ILE 8 Ca 0.10 -0.55 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 2jml h ILE 8 Cb 0.63 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 2jml h ILE 8 CO 0.04 0.18 0.18 0.00 0.00 0.00 0.00 178.15 178.55 2jml h ALA 9 N 0.93 0.65 0.00 1.87 0.00 -0.60 -3.08 119.26 119.02 2jml h ALA 9 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2jml h ALA 9 Cb 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2jml h ALA 9 CO -0.01 0.28 0.29 0.54 0.00 0.00 0.00 179.25 180.36 2jml n ARG 10 N -4.53 0.09 -0.23 0.00 5.12 -0.32 -0.35 116.66 116.44 2jml n ARG 10 Ca 0.02 0.55 0.17 0.00 -1.93 0.00 0.00 57.85 56.66 2jml n ARG 10 Cb 0.17 -2.07 0.49 0.00 -1.16 0.00 0.00 32.46 29.89 2jml n ARG 10 CO 0.00 0.00 0.00 0.52 -1.93 0.00 0.00 177.63 176.22 2jml h MET 11 N 0.00 0.45 0.00 5.56 2.86 -1.54 -3.40 114.93 118.85 2jml h MET 11 Ca 0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2jml h MET 11 Cb 0.58 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.14 2jml h MET 11 CO 0.00 0.30 0.00 0.25 1.06 0.00 0.00 176.91 178.52 2jml n THR 12 N -4.52 0.00 0.00 2.22 -2.24 0.03 -5.05 114.28 104.72 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 0.62 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 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 0.51 0.39 3.38 0.00 0.53 -4.69 105.19 105.31 2jml n GLY 13 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 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 0.76 0.00 -0.61 -0.00 -1.97 0.45 117.51 116.14 2jml h ILE 14 Ca 0.00 -0.14 -0.01 0.00 -0.00 0.00 0.00 64.86 64.72 2jml h ILE 14 Cb 0.00 0.32 -0.00 0.00 -0.00 0.00 0.00 36.82 37.14 2jml h ILE 14 CO 0.00 0.07 -0.03 0.03 -0.00 0.00 0.00 178.15 178.23 2jml h ARG 15 N 0.40 0.00 -0.97 0.16 3.08 -1.86 -3.23 114.38 111.96 2jml h ARG 15 Ca 0.40 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.54 2jml h ARG 15 Cb 0.96 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.94 2jml h ARG 15 CO -0.13 0.03 0.61 0.93 -1.07 0.00 0.00 179.97 180.33 2jml h GLU 16 N 0.00 1.00 -0.05 0.04 5.08 -1.23 0.23 114.58 119.65 2jml h GLU 16 Ca -0.00 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2jml h GLU 16 Cb 0.09 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 2jml h GLU 16 CO 0.00 0.66 0.04 0.00 -1.00 0.00 0.00 179.01 178.72 2jml h ALA 17 N 1.49 1.99 0.07 3.43 0.00 -1.77 0.12 119.26 124.59 2jml h ALA 17 Ca 0.45 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 55.16 2jml h ALA 17 Cb 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2jml h ALA 17 CO -0.22 -0.07 -1.06 0.00 0.00 0.00 0.00 179.25 177.90 2jml h THR 18 N 0.00 1.19 0.00 0.00 1.03 -0.97 -3.04 112.91 111.12 2jml h THR 18 Ca 0.03 -2.35 -0.00 0.00 -0.01 0.00 0.00 66.41 64.07 2jml h THR 18 Cb 0.11 2.77 0.00 0.00 -1.07 0.00 0.00 68.15 69.96 2jml h THR 18 CO -0.00 0.60 -0.00 -0.07 -0.01 0.00 0.00 175.52 176.03 2jml h LEU 19 N -0.60 -0.01 -1.09 0.00 3.38 -0.44 0.13 115.31 116.68 2jml h LEU 19 Ca -0.24 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 2jml h LEU 19 Cb 1.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.24 2jml h LEU 19 CO -0.01 0.04 -0.39 0.03 0.09 0.00 0.00 178.44 178.20 2jml h ARG 20 N -0.05 0.00 0.60 1.13 3.08 -0.96 -1.73 114.38 116.45 2jml h ARG 20 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2jml h ARG 20 Cb 0.05 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.10 2jml h ARG 20 CO 0.00 0.39 -0.29 0.00 -1.07 0.00 0.00 179.97 179.00 2jml h ALA 21 N 1.61 -0.81 -0.88 0.04 0.00 -1.37 -3.30 119.26 114.56 2jml h ALA 21 Ca -0.00 -0.20 0.18 0.00 0.00 0.00 0.00 54.91 54.88 2jml h ALA 21 Cb 0.81 0.31 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 2jml h ALA 21 CO 0.05 -0.88 0.58 -1.49 0.00 0.00 0.00 179.25 177.51 2jml h TRP 22 N -0.96 0.65 -0.84 0.00 6.55 -0.39 0.68 115.95 121.64 2jml h TRP 22 Ca -0.08 0.02 0.18 0.00 0.95 0.00 0.00 58.89 59.96 2jml h TRP 22 Cb 0.67 -0.20 -0.16 0.00 -0.86 0.00 0.00 29.16 28.61 2jml h TRP 22 CO -0.01 0.20 -0.14 1.49 -1.05 0.00 0.00 178.44 178.93 2jml h GLU 23 N 0.51 0.02 0.00 0.49 4.22 -1.40 0.36 114.58 118.79 2jml h GLU 23 Ca 0.46 -0.00 -0.17 0.00 0.08 0.00 0.00 59.36 59.72 2jml h GLU 23 Cb 0.97 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 2jml h GLU 23 CO -0.19 0.01 -1.52 -2.13 -2.18 0.00 0.00 179.01 173.00 2jml n ARG 24 N -5.50 0.63 0.04 1.92 0.63 -0.48 -3.86 116.66 110.04 2jml n ARG 24 Ca 0.14 0.18 -0.06 0.00 -0.92 0.00 0.00 57.85 57.19 2jml n ARG 24 Cb 0.47 -1.77 -0.11 0.00 0.45 0.00 0.00 32.46 31.49 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 0.00 0.00 -0.14 2.43 -0.15 -3.45 114.38 113.08 2jml h ARG 25 Ca -0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 2jml h ARG 25 Cb 1.60 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.15 2jml h ARG 25 CO 0.04 0.75 0.00 0.66 -1.51 0.00 0.00 179.97 179.91 2jml n TYR 26 N -3.21 0.00 0.00 2.20 4.01 0.46 -5.00 117.16 115.62 2jml n TYR 26 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 2jml n TYR 26 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.99 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 -0.24 1.51 3.77 2.72 0.00 0.98 -5.01 105.19 108.93 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 -2.29 3.63 0.52 1.61 2.19 -1.26 -2.89 117.98 119.48 2jml s PHE 28 Ca 0.00 1.76 -0.21 0.00 0.33 0.00 0.00 56.93 58.81 2jml s PHE 28 Cb 0.00 -3.02 -0.06 0.00 -1.31 0.00 0.00 43.02 38.64 2jml s PHE 28 CO 0.00 -0.03 1.23 -1.25 1.83 0.00 0.00 175.22 177.00 2jml s PRO 29 N -1.97 3.39 -0.37 10.12 0.04 -1.26 -4.42 135.00 140.52 2jml s PRO 29 Ca 0.50 1.91 -0.04 0.00 0.04 0.00 0.00 61.00 63.41 2jml s PRO 29 Cb -0.22 -2.24 0.08 0.00 0.04 0.00 0.00 34.50 32.16 2jml s PRO 29 CO 0.28 -0.90 0.15 0.50 0.04 0.00 0.00 177.00 177.07 2jml s ARG 30 N -2.93 2.32 0.35 4.56 3.00 -1.14 -4.94 118.95 120.18 2jml s ARG 30 Ca 0.69 -1.52 -0.27 0.00 -1.00 0.00 0.00 55.73 53.63 2jml s ARG 30 Cb -0.32 -3.51 -0.09 0.00 0.00 0.00 0.00 34.95 31.03 2jml s ARG 30 CO 0.38 -0.88 1.18 -1.25 0.00 0.00 0.00 175.30 174.72 2jml s PRO 31 N 1.26 4.27 0.61 5.12 0.04 -1.26 -4.87 135.00 140.17 2jml s PRO 31 Ca 0.02 1.90 -0.16 0.00 0.04 0.00 0.00 61.00 62.80 2jml s PRO 31 Cb -0.22 -2.89 -0.03 0.00 0.04 0.00 0.00 34.50 31.41 2jml s PRO 31 CO -0.01 -0.15 1.07 -0.51 0.04 0.00 0.00 177.00 177.45 2jml s LEU 32 N -2.08 3.49 0.94 -3.56 1.43 0.61 -4.81 118.68 114.70 2jml s LEU 32 Ca 0.52 1.89 -0.11 0.00 -1.03 0.00 0.00 54.13 55.40 2jml s LEU 32 Cb -0.33 -4.54 0.15 0.00 0.03 0.00 0.00 46.19 41.51 2jml s LEU 32 CO 0.42 -1.29 1.11 -0.13 0.23 0.00 0.00 176.35 176.69 2jml s ARG 33 N -4.02 0.89 0.32 1.70 0.52 -1.26 -3.19 118.95 113.92 2jml s ARG 33 Ca 0.65 1.25 -0.12 0.00 -0.52 0.00 0.00 55.73 56.99 2jml s ARG 33 Cb -0.18 -1.73 0.02 0.00 0.52 0.00 0.00 34.95 33.58 2jml s ARG 33 CO 0.37 -2.62 0.62 -1.54 0.02 0.00 0.00 175.30 172.15 2jml s SER 34 N -2.87 0.18 1.00 0.23 1.04 -1.26 -4.76 113.70 107.26 2jml s SER 34 Ca 0.66 -1.09 -0.15 0.00 0.48 0.00 0.00 55.95 55.85 2jml s SER 34 Cb -0.22 0.72 0.20 0.00 0.10 0.00 0.00 66.02 66.82 2jml s SER 34 CO 0.59 -1.40 1.17 1.21 0.98 0.00 0.00 173.24 175.79 2jml n GLU 35 N -0.49 -1.15 0.07 4.02 0.00 -1.25 -5.00 120.64 116.84 2jml n GLU 35 Ca -0.04 -1.80 -0.10 0.00 0.00 0.00 0.00 57.16 55.23 2jml n GLU 35 Cb 0.61 -1.20 -0.06 0.00 0.00 0.00 0.00 31.44 30.78 2jml n GLU 35 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 2jml h GLY 36 N -1.54 -1.18 1.62 8.31 0.00 -2.03 -3.20 103.07 105.05 2jml h GLY 36 Ca -0.38 0.59 -0.21 0.00 0.00 0.00 0.00 47.33 47.33 2jml h GLY 36 CO 0.27 -0.35 -0.88 3.43 0.00 0.00 0.00 176.54 179.01 2jml h ASN 37 N -0.45 0.44 -2.80 0.19 2.35 -2.08 -3.43 115.58 109.79 2jml h ASN 37 Ca -0.01 -0.34 -0.57 0.00 -0.55 0.00 0.00 56.30 54.83 2jml h ASN 37 Cb 0.45 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.65 2jml h ASN 37 CO -0.16 1.13 1.15 0.21 -1.65 0.00 0.00 177.43 178.12 2jml s ASN 38 N -7.02 6.26 0.99 5.81 3.04 -1.21 -5.01 114.94 117.81 2jml s ASN 38 Ca -0.05 1.45 -0.12 0.00 0.04 0.00 0.00 52.86 54.19 2jml s ASN 38 Cb 0.09 -2.53 0.19 0.00 -1.54 0.00 0.00 41.25 37.46 2jml s ASN 38 CO 0.85 -1.38 1.08 -0.31 -3.04 0.00 0.00 177.10 174.30 2jml s TYR 39 N 5.62 1.90 -0.16 0.43 2.02 -1.26 -3.89 117.35 122.01 2jml s TYR 39 Ca 0.72 1.28 -0.29 0.00 -0.37 0.00 0.00 57.07 58.41 2jml s TYR 39 Cb -0.23 -3.18 -0.04 0.00 -0.40 0.00 0.00 41.96 38.11 2jml s TYR 39 CO 0.31 -2.96 1.74 1.03 -1.57 0.00 0.00 175.55 174.09 2jml s ARG 40 N -4.76 3.83 0.51 -0.62 0.52 -1.26 -4.74 118.95 112.42 2jml s ARG 40 Ca 0.66 1.92 0.02 0.00 -0.52 0.00 0.00 55.73 57.80 2jml s ARG 40 Cb -0.21 -4.08 0.02 0.00 0.52 0.00 0.00 34.95 31.20 2jml s ARG 40 CO 0.59 -1.27 0.72 0.08 0.02 0.00 0.00 175.30 175.45 2jml s VAL 41 N 5.27 3.11 0.23 3.52 1.01 -1.19 -4.74 120.40 127.59 2jml s VAL 41 Ca 0.77 -0.65 0.11 0.00 0.00 0.00 0.00 61.98 62.21 2jml s VAL 41 Cb -0.30 -3.15 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 2jml s VAL 41 CO 0.31 -0.10 -0.18 -0.31 0.00 0.00 0.00 175.10 174.82 2jml s TYR 42 N -2.66 2.38 0.37 5.22 1.51 -0.48 -0.28 117.35 123.41 2jml s TYR 42 Ca 0.54 -0.32 -0.03 0.00 -1.01 0.00 0.00 57.07 56.26 2jml s TYR 42 Cb -0.10 -1.11 -0.04 0.00 -0.11 0.00 0.00 41.96 40.60 2jml s TYR 42 CO 0.38 0.59 0.62 -1.12 -1.11 0.00 0.00 175.55 174.90 2jml s SER 43 N -3.09 6.33 0.34 2.29 0.01 -1.26 -3.62 113.70 114.70 2jml s SER 43 Ca 0.26 0.66 0.05 0.00 1.31 0.00 0.00 55.95 58.22 2jml s SER 43 Cb -0.07 -2.12 0.60 0.00 0.21 0.00 0.00 66.02 64.64 2jml s SER 43 CO 0.13 -0.35 1.86 -0.09 0.41 0.00 0.00 173.24 175.21 2jml h ARG 44 N 0.86 0.49 -0.06 12.44 1.12 -1.97 -1.42 114.38 125.85 2jml h ARG 44 Ca -0.48 -0.11 0.01 0.00 -1.11 0.00 0.00 59.98 58.28 2jml h ARG 44 Cb 1.21 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 31.09 2jml h ARG 44 CO 0.63 0.55 -0.00 1.05 -3.11 0.00 0.00 179.97 179.08 2jml h GLU 45 N 0.47 0.02 -0.19 0.20 4.11 -1.99 0.39 114.58 117.59 2jml h GLU 45 Ca 0.10 -0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.57 2jml h GLU 45 Cb 0.37 -0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 2jml h GLU 45 CO 0.02 0.01 -0.08 0.93 0.07 0.00 0.00 179.01 179.96 2jml h GLU 46 N 0.02 -0.05 0.06 1.06 3.07 -1.90 -2.04 114.58 114.80 2jml h GLU 46 Ca 0.03 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.92 2jml h GLU 46 Cb 0.04 0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 27.91 2jml h GLU 46 CO -0.05 -0.03 -0.31 0.28 -1.40 0.00 0.00 179.01 177.49 2jml h VAL 47 N -0.05 0.32 -0.78 3.13 2.07 -0.84 0.23 116.25 120.35 2jml h VAL 47 Ca 0.10 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.57 2jml h VAL 47 Cb 0.20 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.25 2jml h VAL 47 CO -0.22 0.00 0.31 1.05 0.02 0.00 0.00 177.57 178.73 2jml h GLU 48 N -0.50 1.16 0.49 1.57 4.11 -0.92 0.12 114.58 120.61 2jml h GLU 48 Ca 0.04 -0.21 -0.02 0.00 0.07 0.00 0.00 59.36 59.25 2jml h GLU 48 Cb 0.56 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2jml h GLU 48 CO -0.22 0.94 -0.34 0.00 0.07 0.00 0.00 179.01 179.46 2jml h ALA 49 N 1.16 -0.83 -0.69 1.06 0.00 -1.14 -1.77 119.26 117.06 2jml h ALA 49 Ca 0.26 -0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.10 2jml h ALA 49 Cb 0.22 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 2jml h ALA 49 CO -0.02 -0.99 0.34 0.28 0.00 0.00 0.00 179.25 178.86 2jml h VAL 50 N -0.81 0.86 -0.44 0.00 2.07 -0.31 0.27 116.25 117.88 2jml h VAL 50 Ca -0.05 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 2jml h VAL 50 Cb 0.68 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2jml h VAL 50 CO 0.03 0.11 0.27 -0.09 0.02 0.00 0.00 177.57 177.91 2jml h ARG 51 N 0.59 0.60 0.90 1.57 2.43 -0.67 0.26 114.38 120.05 2jml h ARG 51 Ca 0.33 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.41 2jml h ARG 51 Cb 0.34 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2jml h ARG 51 CO -0.26 0.44 -0.48 0.00 -1.51 0.00 0.00 179.97 178.16 2jml h ARG 52 N 0.59 -1.21 -0.31 0.20 3.08 -0.72 -2.55 114.38 113.46 2jml h ARG 52 Ca 0.16 0.08 0.06 0.00 0.07 0.00 0.00 59.98 60.35 2jml h ARG 52 Cb -0.01 0.28 -0.08 0.00 0.08 0.00 0.00 29.97 30.23 2jml h ARG 52 CO -0.03 -0.81 -0.43 0.28 -1.07 0.00 0.00 179.97 177.91 2jml h VAL 53 N -1.26 0.12 -0.67 2.04 2.07 -0.30 0.92 116.25 119.18 2jml h VAL 53 Ca -0.12 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.50 2jml h VAL 53 Cb 0.98 0.12 -0.08 0.00 -1.52 0.00 0.00 31.29 30.80 2jml h VAL 53 CO 0.17 0.00 0.28 0.00 0.02 0.00 0.00 177.57 178.04 2jml h ALA 54 N 0.29 0.89 -0.47 1.67 0.00 -0.57 0.24 119.26 121.32 2jml h ALA 54 Ca 0.11 0.08 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 2jml h ALA 54 Cb 0.60 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2jml h ALA 54 CO -0.51 -0.16 -0.01 -0.09 0.00 0.00 0.00 179.25 178.48 2jml h ARG 55 N 0.47 0.78 -0.68 0.00 2.43 -0.90 -2.45 114.38 114.02 2jml h ARG 55 Ca 0.34 -0.21 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 2jml h ARG 55 Cb 0.43 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 2jml h ARG 55 CO -0.32 0.79 0.31 -0.07 -1.51 0.00 0.00 179.97 179.17 2jml h LEU 56 N 0.72 0.91 -0.87 3.80 -0.00 0.35 -2.77 115.31 117.45 2jml h LEU 56 Ca 0.14 -0.15 0.10 0.00 -0.00 0.00 0.00 57.88 57.98 2jml h LEU 56 Cb 0.46 -0.23 -0.08 0.00 -0.00 0.00 0.00 40.66 40.81 2jml h LEU 56 CO 0.02 0.80 0.51 0.40 -0.00 0.00 0.00 178.44 180.17 2jml h ILE 57 N 0.95 0.90 0.00 1.22 5.03 -0.29 -0.81 117.51 124.52 2jml h ILE 57 Ca 0.23 -0.29 0.00 0.00 -0.12 0.00 0.00 64.86 64.68 2jml h ILE 57 Cb 0.15 -0.01 0.00 0.00 -3.03 0.00 0.00 36.82 33.93 2jml h ILE 57 CO -0.03 0.15 0.03 1.56 -0.68 0.00 0.00 178.15 179.19 2jml h GLN 58 N 0.84 0.00 0.00 2.37 1.08 -1.15 -1.18 115.11 117.06 2jml h GLN 58 Ca 0.43 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.41 2jml h GLN 58 Cb 0.41 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.80 2jml h GLN 58 CO -0.26 0.00 -1.26 0.93 -0.95 0.00 0.00 178.83 177.29 2jml h GLU 59 N 0.00 0.00 0.00 1.46 4.39 -1.17 -3.47 114.58 115.80 2jml h GLU 59 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2jml h GLU 59 Cb 0.06 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2jml h GLU 59 CO 0.00 0.66 0.00 0.39 -1.16 0.00 0.00 179.01 178.90 2jml n GLU 60 N -3.16 0.00 0.00 2.33 -0.58 -0.82 -5.07 120.64 113.33 2jml n GLU 60 Ca -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 2jml n GLU 60 Cb 0.94 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.81 2jml n GLU 60 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jml n GLY 61 N -1.47 2.31 0.37 0.62 0.00 -0.51 -4.93 105.19 101.58 2jml n GLY 61 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.22 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 0.58 -0.06 0.99 5.85 -1.91 -0.23 115.31 120.53 2jml h LEU 62 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 2jml h LEU 62 Cb 0.00 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2jml h LEU 62 CO 0.00 0.07 0.16 -1.20 -0.34 0.00 0.00 178.44 177.13 2jml n SER 63 N -4.81 0.02 0.07 1.25 7.64 -1.26 -0.82 113.62 115.72 2jml n SER 63 Ca 0.27 0.36 -0.06 0.00 1.01 0.00 0.00 58.87 60.46 2jml n SER 63 Cb 0.83 -0.36 -0.03 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 0.00 -0.24 0.44 2.07 -1.36 0.63 116.25 117.79 2jml h VAL 64 Ca 0.00 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.40 2jml h VAL 64 Cb 0.31 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.08 2jml h VAL 64 CO 0.00 0.00 -0.34 -1.28 0.02 0.00 0.00 177.57 175.97 2jml h SER 65 N -0.30 0.71 0.40 0.57 0.87 -1.24 -3.12 113.55 111.44 2jml h SER 65 Ca -0.01 -0.51 -0.02 0.00 -1.23 0.00 0.00 61.79 60.02 2jml h SER 65 Cb 0.28 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 2jml h SER 65 CO -0.05 1.08 -0.19 -0.08 -0.53 0.00 0.00 176.83 177.06 2jml h GLU 66 N 0.36 -0.52 0.00 2.24 4.81 -1.05 -0.13 114.58 120.29 2jml h GLU 66 Ca 0.03 0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 2jml h GLU 66 Cb 0.92 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 2jml h GLU 66 CO 0.08 -0.21 -0.33 0.00 -0.73 0.00 0.00 179.01 177.82 2jml h ALA 67 N -0.41 0.88 0.50 2.92 0.00 -1.02 0.33 119.26 122.45 2jml h ALA 67 Ca -0.05 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 2jml h ALA 67 Cb 0.55 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2jml h ALA 67 CO 0.09 0.41 -0.24 0.82 0.00 0.00 0.00 179.25 180.33 2jml h ILE 68 N 0.00 0.43 -0.82 0.00 2.04 -1.60 0.21 117.51 117.77 2jml h ILE 68 Ca -0.00 -0.35 0.07 0.00 1.00 0.00 0.00 64.86 65.57 2jml h ILE 68 Cb 1.03 0.56 -0.06 0.00 -0.74 0.00 0.00 36.82 37.61 2jml h ILE 68 CO 0.04 0.05 0.50 0.00 0.00 0.00 0.00 178.15 178.74 2jml h ALA 69 N -0.55 1.13 0.52 1.87 0.00 -0.69 0.64 119.26 122.19 2jml h ALA 69 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2jml h ALA 69 Cb 0.60 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2jml h ALA 69 CO 0.11 0.22 -0.38 1.96 0.00 0.00 0.00 179.25 181.16 2jml h GLN 70 N 0.90 -0.83 0.00 0.00 4.20 -0.41 0.21 115.11 119.18 2jml h GLN 70 Ca 0.37 0.06 -0.02 0.00 0.06 0.00 0.00 58.65 59.12 2jml h GLN 70 Cb 0.20 0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 2jml h GLN 70 CO -0.18 -0.55 -0.08 -0.24 -0.67 0.00 0.00 178.83 177.11 2jml h VAL 71 N -0.86 0.70 0.05 -0.54 3.04 -0.59 0.43 116.25 118.48 2jml h VAL 71 Ca -0.07 -0.30 -0.23 0.00 -1.01 0.00 0.00 66.70 65.09 2jml h VAL 71 Cb 0.71 1.18 -0.01 0.00 -2.01 0.00 0.00 31.29 31.16 2jml h VAL 71 CO 0.03 0.07 -1.08 0.11 -1.01 0.00 0.00 177.57 175.69 2jml h LYS 72 N 0.00 0.13 0.00 4.17 1.79 -0.80 -3.33 116.57 118.52 2jml h LYS 72 Ca -0.00 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 2jml h LYS 72 Cb 0.17 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 2jml h LYS 72 CO 0.01 1.08 -0.75 -2.37 -1.08 0.00 0.00 179.45 176.34 2jml n THR 73 N -3.46 0.04 -1.66 -0.16 5.66 0.72 -4.92 114.28 110.50 2jml n THR 73 Ca -0.04 -0.05 -0.43 0.00 -3.05 0.00 0.00 64.05 60.48 2jml n THR 73 Cb 0.96 0.45 -0.03 0.00 -1.55 0.00 0.00 70.33 70.16 2jml n THR 73 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2jml n GLU 74 N -1.60 2.75 -2.21 1.09 1.02 0.14 -4.98 120.64 116.85 2jml n GLU 74 Ca 0.04 1.01 -0.37 0.00 -0.02 0.00 0.00 57.16 57.82 2jml n GLU 74 Cb 0.35 -2.95 -0.00 0.00 -0.02 0.00 0.00 31.44 28.82 2jml n GLU 74 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2jml s PRO 75 N 4.43 3.68 0.52 3.49 0.04 -1.26 -5.00 135.00 140.91 2jml s PRO 75 Ca 0.90 1.81 -0.20 0.00 0.04 0.00 0.00 61.00 63.55 2jml s PRO 75 Cb -0.48 -2.38 -0.06 0.00 0.04 0.00 0.00 34.50 31.62 2jml s PRO 75 CO 0.44 -0.63 1.13 -1.25 0.04 0.00 0.00 177.00 176.73 2jml s PRO 76 N -2.74 3.47 -0.49 0.56 0.04 -1.26 -5.02 135.00 129.55 2jml s PRO 76 Ca 0.65 1.64 0.05 0.00 0.04 0.00 0.00 61.00 63.37 2jml s PRO 76 Cb -0.30 -2.10 0.19 0.00 0.04 0.00 0.00 34.50 32.34 2jml s PRO 76 CO 0.36 -0.76 0.78 -0.98 0.04 0.00 0.00 177.00 176.44 2jml s ARG 77 N -3.15 0.95 0.00 4.56 1.70 -1.26 -5.31 118.95 116.44 2jml s ARG 77 Ca 0.70 -0.94 0.24 0.00 -0.47 0.00 0.00 55.73 55.27 2jml s ARG 77 Cb -0.25 -0.04 1.46 0.00 -0.57 0.00 0.00 34.95 35.55 2jml s ARG 77 CO 0.28 -1.17 1.82 -1.91 -1.08 0.00 0.00 175.30 173.24