#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 0.05 -4.09 1.61 2.88 -1.26 -5.20 113.62 107.61 2jml n SER -1 Ca 0.00 -0.87 -0.26 0.00 -1.33 0.00 0.00 58.87 56.41 2jml n SER -1 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 2jml n SER -1 CO 0.00 0.00 0.00 -1.38 -1.23 0.00 0.00 175.04 172.43 2jml s HIS 0 N -1.84 1.78 0.21 0.66 0.00 -1.26 -5.19 115.29 109.66 2jml s HIS 0 Ca 0.00 -1.31 0.05 0.00 -3.00 0.00 0.00 55.06 50.80 2jml s HIS 0 Cb 0.00 -1.16 -0.05 0.00 -4.00 0.00 0.00 32.58 27.37 2jml s HIS 0 CO 0.00 -0.31 -0.06 -1.64 -1.00 0.00 0.00 174.74 171.73 2jml s MET 1 N -3.69 1.30 0.10 -0.38 1.00 -1.26 -5.18 119.30 111.19 2jml s MET 1 Ca 0.23 -1.63 -0.12 0.00 0.00 0.00 0.00 55.69 54.17 2jml s MET 1 Cb 0.02 -0.78 0.02 0.00 0.00 0.00 0.00 34.83 34.09 2jml s MET 1 CO 0.15 0.01 0.29 0.95 0.00 0.00 0.00 175.02 176.42 2jml s THR 2 N -3.26 0.10 0.12 2.05 -4.23 -1.26 -4.72 115.64 104.44 2jml s THR 2 Ca 0.25 -0.86 -0.00 0.00 -1.18 0.00 0.00 61.69 59.89 2jml s THR 2 Cb 0.04 -1.21 -0.04 0.00 1.34 0.00 0.00 72.50 72.62 2jml s THR 2 CO 0.07 -0.48 0.01 -0.76 -0.54 0.00 0.00 174.62 172.93 2jml s LEU 3 N -2.73 2.07 0.41 4.79 2.01 -0.36 -4.93 118.68 119.95 2jml s LEU 3 Ca 0.03 -1.14 0.00 0.00 0.01 0.00 0.00 54.13 53.03 2jml s LEU 3 Cb 0.03 0.17 -0.02 0.00 0.01 0.00 0.00 46.19 46.38 2jml s LEU 3 CO -0.10 -0.64 0.63 -0.13 1.01 0.00 0.00 176.35 177.12 2jml s ARG 4 N -3.97 3.25 0.33 1.70 0.52 -1.26 0.06 118.95 119.57 2jml s ARG 4 Ca 0.19 -0.39 0.07 0.00 -0.52 0.00 0.00 55.73 55.09 2jml s ARG 4 Cb 0.07 -2.58 0.76 0.00 0.52 0.00 0.00 34.95 33.71 2jml s ARG 4 CO -0.01 -0.11 1.83 0.97 0.02 0.00 0.00 175.30 178.00 2jml h ILE 5 N 0.52 0.79 -0.84 1.52 6.09 -1.75 -0.34 117.51 123.49 2jml h ILE 5 Ca -0.47 -0.26 0.09 0.00 -1.37 0.00 0.00 64.86 62.84 2jml h ILE 5 Cb 1.24 -0.04 -0.07 0.00 0.47 0.00 0.00 36.82 38.42 2jml h ILE 5 CO 0.59 0.14 0.50 -0.09 -3.07 0.00 0.00 178.15 176.21 2jml h ARG 6 N 0.76 0.82 -0.28 2.19 1.12 -1.95 0.87 114.38 117.92 2jml h ARG 6 Ca 0.51 -0.05 -0.07 0.00 -1.11 0.00 0.00 59.98 59.26 2jml h ARG 6 Cb 0.78 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 30.55 2jml h ARG 6 CO -0.28 0.54 -0.12 1.15 -3.11 0.00 0.00 179.97 178.16 2jml h THR 7 N 0.84 1.29 0.12 0.20 2.02 -1.47 -0.40 112.91 115.52 2jml h THR 7 Ca 0.40 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 66.39 2jml h THR 7 Cb 0.33 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 2jml h THR 7 CO -0.23 0.38 -0.11 0.40 0.37 0.00 0.00 175.52 176.32 2jml h ILE 8 N 0.32 0.75 -0.84 3.11 2.04 -0.83 -2.91 117.51 119.15 2jml h ILE 8 Ca 0.06 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.94 2jml h ILE 8 Cb 0.62 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 2jml h ILE 8 CO 0.04 0.00 0.55 0.00 0.00 0.00 0.00 178.15 178.74 2jml h ALA 9 N 0.62 1.08 0.00 1.87 0.00 -0.86 -2.48 119.26 119.49 2jml h ALA 9 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2jml h ALA 9 Cb 0.24 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2jml h ALA 9 CO -0.03 0.43 0.12 0.54 0.00 0.00 0.00 179.25 180.32 2jml n ARG 10 N -4.52 0.02 -0.30 0.00 5.12 -0.16 -0.37 116.66 116.44 2jml n ARG 10 Ca 0.09 0.42 0.07 0.00 -1.93 0.00 0.00 57.85 56.50 2jml n ARG 10 Cb 0.04 -1.69 0.28 0.00 -1.16 0.00 0.00 32.46 29.94 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 0.90 0.00 5.56 2.86 -1.42 -3.41 114.93 119.41 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 0.25 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.70 2jml h MET 11 CO 0.00 0.59 0.00 0.25 1.06 0.00 0.00 176.91 178.81 2jml n THR 12 N -4.54 0.00 0.00 2.22 -2.24 -0.60 -5.05 114.28 104.08 2jml n THR 12 Ca 0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 2jml n THR 12 Cb 0.30 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 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 0.86 0.37 3.38 0.00 0.50 -4.68 105.19 105.62 2jml n GLY 13 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 0.84 0.00 -0.61 -0.00 -1.97 0.22 117.51 116.00 2jml h ILE 14 Ca 0.00 -0.19 -0.02 0.00 -0.00 0.00 0.00 64.86 64.65 2jml h ILE 14 Cb 0.00 0.24 -0.00 0.00 -0.00 0.00 0.00 36.82 37.06 2jml h ILE 14 CO 0.00 0.10 -0.09 0.03 -0.00 0.00 0.00 178.15 178.19 2jml h ARG 15 N 0.56 0.00 -0.58 0.16 3.08 -1.84 -3.31 114.38 112.44 2jml h ARG 15 Ca 0.38 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.43 2jml h ARG 15 Cb 0.71 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.73 2jml h ARG 15 CO -0.14 0.09 0.34 1.49 -1.07 0.00 0.00 179.97 180.68 2jml h GLU 16 N 0.00 0.79 -0.75 0.04 4.22 -1.21 0.25 114.58 117.93 2jml h GLU 16 Ca -0.00 -0.08 0.05 0.00 0.08 0.00 0.00 59.36 59.41 2jml h GLU 16 Cb 0.38 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 2jml h GLU 16 CO 0.01 0.58 0.49 0.00 -2.18 0.00 0.00 179.01 177.91 2jml h ALA 17 N 1.17 1.62 -0.04 2.92 0.00 -1.74 -0.20 119.26 122.99 2jml h ALA 17 Ca 0.21 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 2jml h ALA 17 Cb -0.00 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.56 2jml h ALA 17 CO -0.04 0.29 -0.32 1.15 0.00 0.00 0.00 179.25 180.34 2jml h THR 18 N 0.85 1.47 0.19 0.00 2.02 -1.41 -2.31 112.91 113.73 2jml h THR 18 Ca 0.31 -1.82 0.01 0.00 0.77 0.00 0.00 66.41 65.67 2jml h THR 18 Cb 0.15 2.51 -0.02 0.00 -1.74 0.00 0.00 68.15 69.05 2jml h THR 18 CO -0.10 0.51 -0.21 -0.07 0.37 0.00 0.00 175.52 176.03 2jml h LEU 19 N -0.28 -0.56 -1.13 2.58 3.38 -0.31 0.10 115.31 119.09 2jml h LEU 19 Ca -0.03 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 2jml h LEU 19 Cb 1.01 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.94 2jml h LEU 19 CO 0.06 -0.31 -0.11 0.03 0.09 0.00 0.00 178.44 178.21 2jml h ARG 20 N -0.44 0.48 0.04 1.13 3.08 -1.16 -2.43 114.38 115.07 2jml h ARG 20 Ca 0.00 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 2jml h ARG 20 Cb 0.42 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2jml h ARG 20 CO -0.06 0.59 -0.02 0.00 -1.07 0.00 0.00 179.97 179.41 2jml h ALA 21 N 1.44 -0.05 -0.85 0.04 0.00 -1.15 -3.17 119.26 115.52 2jml h ALA 21 Ca 0.09 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.06 2jml h ALA 21 Cb 0.46 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 2jml h ALA 21 CO 0.03 -0.49 0.55 -1.49 0.00 0.00 0.00 179.25 177.85 2jml h TRP 22 N -0.12 0.85 -0.95 0.00 6.55 -0.44 0.31 115.95 122.16 2jml h TRP 22 Ca -0.00 0.02 0.25 0.00 0.95 0.00 0.00 58.89 60.11 2jml h TRP 22 Cb 0.11 -0.27 -0.06 0.00 -0.86 0.00 0.00 29.16 28.08 2jml h TRP 22 CO -0.05 0.37 0.65 1.49 -1.05 0.00 0.00 178.44 179.85 2jml h GLU 23 N 0.77 0.19 0.00 0.49 4.81 -1.42 0.27 114.58 119.70 2jml h GLU 23 Ca 0.40 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 2jml h GLU 23 Cb 0.51 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.84 2jml h GLU 23 CO -0.17 0.13 -1.53 -2.13 -0.73 0.00 0.00 179.01 174.57 2jml n ARG 24 N -4.40 0.45 -0.07 1.92 0.63 -0.06 -4.19 116.66 110.93 2jml n ARG 24 Ca 0.20 -0.11 -0.07 0.00 -0.92 0.00 0.00 57.85 56.96 2jml n ARG 24 Cb 0.88 -1.49 -0.12 0.00 0.45 0.00 0.00 32.46 32.18 2jml n ARG 24 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2jml n ARG 25 N -1.91 1.42 0.00 -0.14 0.63 -0.29 -4.91 116.66 111.47 2jml n ARG 25 Ca -0.00 -0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.91 2jml n ARG 25 Cb 0.45 -1.40 0.00 0.00 0.45 0.00 0.00 32.46 31.97 2jml n ARG 25 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 2jml n TYR 26 N -2.54 0.00 0.00 -0.14 4.01 0.42 -5.02 117.16 113.89 2jml n TYR 26 Ca -0.24 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.50 2jml n TYR 26 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.00 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 -0.00 0.41 3.78 2.72 0.00 0.67 -5.01 105.19 107.76 2jml n GLY 27 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 3.87 0.38 1.61 5.36 -1.26 -2.40 117.98 123.54 2jml s PHE 28 Ca 0.00 1.53 -0.27 0.00 -0.96 0.00 0.00 56.93 57.23 2jml s PHE 28 Cb 0.00 -2.71 -0.09 0.00 -0.34 0.00 0.00 43.02 39.88 2jml s PHE 28 CO 0.00 0.51 1.28 -1.25 -1.46 0.00 0.00 175.22 174.30 2jml s PRO 29 N -1.04 4.11 -0.27 10.12 0.04 -1.26 -4.34 135.00 142.37 2jml s PRO 29 Ca 0.34 2.12 -0.27 0.00 0.04 0.00 0.00 61.00 63.23 2jml s PRO 29 Cb -0.22 -2.85 0.01 0.00 0.04 0.00 0.00 34.50 31.48 2jml s PRO 29 CO 0.24 -0.36 0.96 -0.98 0.04 0.00 0.00 177.00 176.90 2jml s ARG 30 N -2.10 4.15 0.48 4.56 1.70 -1.01 -4.96 118.95 121.78 2jml s ARG 30 Ca 0.54 1.07 -0.24 0.00 -0.47 0.00 0.00 55.73 56.63 2jml s ARG 30 Cb -0.37 -3.68 -0.07 0.00 -0.57 0.00 0.00 34.95 30.26 2jml s ARG 30 CO 0.48 -0.67 1.39 -1.25 -1.08 0.00 0.00 175.30 174.17 2jml s PRO 31 N 3.18 3.52 0.00 3.89 0.04 -1.26 -4.94 135.00 139.43 2jml s PRO 31 Ca 0.40 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.76 2jml s PRO 31 Cb -0.14 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.88 2jml s PRO 31 CO 0.09 -0.91 0.53 1.28 0.04 0.00 0.00 177.00 178.04 2jml n LEU 32 N -0.46 0.40 -4.95 -3.56 4.77 -1.12 -4.84 117.00 107.23 2jml n LEU 32 Ca 0.07 0.63 -0.24 0.00 -0.03 0.00 0.00 56.01 56.44 2jml n LEU 32 Cb 0.43 -0.30 0.07 0.00 -2.33 0.00 0.00 43.42 41.30 2jml n LEU 32 CO 0.56 -0.30 0.55 -0.13 -1.33 0.00 0.00 177.39 176.74 2jml s ARG 33 N -1.67 2.11 1.35 3.23 1.81 -1.26 -5.13 118.95 119.40 2jml s ARG 33 Ca 0.00 -0.56 -0.20 0.00 -1.72 0.00 0.00 55.73 53.25 2jml s ARG 33 Cb 0.00 -2.26 0.34 0.00 -0.45 0.00 0.00 34.95 32.58 2jml s ARG 33 CO 0.00 -1.20 0.96 -1.12 -0.68 0.00 0.00 175.30 173.26 2jml s SER 34 N -4.55 -0.50 1.13 0.23 0.01 -1.26 -5.01 113.70 103.75 2jml s SER 34 Ca 0.61 0.97 -0.13 0.00 1.31 0.00 0.00 55.95 58.72 2jml s SER 34 Cb -0.09 -1.42 0.25 0.00 0.21 0.00 0.00 66.02 64.97 2jml s SER 34 CO 0.43 -5.04 0.95 1.21 0.41 0.00 0.00 173.24 171.21 2jml n GLU 35 N -5.42 -2.06 -0.03 12.44 2.13 -1.26 -4.96 120.64 121.48 2jml n GLU 35 Ca 0.10 -0.57 0.00 0.00 0.66 0.00 0.00 57.16 57.36 2jml n GLU 35 Cb 0.59 -2.16 0.00 0.00 0.27 0.00 0.00 31.44 30.14 2jml n GLU 35 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jml n GLY 36 N 0.98 0.98 0.34 8.31 0.00 -1.26 -4.92 105.19 109.62 2jml n GLY 36 Ca 0.04 -1.90 0.11 0.00 0.00 0.00 0.00 46.02 44.28 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 0.33 -2.24 1.61 2.35 -2.06 -3.37 115.58 112.20 2jml h ASN 37 Ca 0.00 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.23 2jml h ASN 37 Cb 0.00 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.26 2jml h ASN 37 CO 0.00 0.21 1.24 0.21 -1.65 0.00 0.00 177.43 177.44 2jml s ASN 38 N -6.37 5.65 1.07 5.81 2.47 -1.26 -5.00 114.94 117.31 2jml s ASN 38 Ca -0.07 0.20 -0.16 0.00 0.42 0.00 0.00 52.86 53.25 2jml s ASN 38 Cb 0.19 -2.54 0.12 0.00 -1.45 0.00 0.00 41.25 37.57 2jml s ASN 38 CO 0.74 -2.11 0.36 -1.22 -3.72 0.00 0.00 177.10 171.15 2jml n TYR 39 N 11.32 -1.26 -1.53 0.43 4.01 -1.26 -4.77 117.16 124.10 2jml n TYR 39 Ca 0.15 0.13 -0.13 0.00 -0.16 0.00 0.00 57.90 57.89 2jml n TYR 39 Cb 0.51 -1.67 -0.10 0.00 -0.31 0.00 0.00 39.34 37.77 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 -2.62 0.33 -3.60 -0.72 1.74 -1.26 -4.91 116.66 105.62 2jml n ARG 40 Ca 0.03 -1.04 -0.22 0.00 -0.77 0.00 0.00 57.85 55.85 2jml n ARG 40 Cb 0.58 -3.45 -0.01 0.00 -1.02 0.00 0.00 32.46 28.55 2jml n ARG 40 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2jml s VAL 41 N 13.94 4.95 0.09 1.55 -7.23 -1.26 -1.90 120.40 130.55 2jml s VAL 41 Ca 0.88 -0.74 -0.08 0.00 -1.81 0.00 0.00 61.98 60.22 2jml s VAL 41 Cb -0.15 -3.78 -0.01 0.00 0.56 0.00 0.00 36.38 33.01 2jml s VAL 41 CO 0.15 -0.40 0.18 -0.31 -0.31 0.00 0.00 175.10 174.41 2jml s TYR 42 N -2.18 0.20 0.25 2.82 2.02 0.11 -2.78 117.35 117.79 2jml s TYR 42 Ca 0.39 -0.64 0.06 0.00 -0.37 0.00 0.00 57.07 56.51 2jml s TYR 42 Cb -0.09 -0.09 -0.03 0.00 -0.40 0.00 0.00 41.96 41.34 2jml s TYR 42 CO 0.33 -0.54 0.26 -1.12 -1.57 0.00 0.00 175.55 172.91 2jml s SER 43 N -2.88 5.86 0.40 2.29 0.01 -1.26 -1.22 113.70 116.91 2jml s SER 43 Ca 0.06 -0.11 0.12 0.00 1.31 0.00 0.00 55.95 57.33 2jml s SER 43 Cb 0.05 -1.60 0.94 0.00 0.21 0.00 0.00 66.02 65.62 2jml s SER 43 CO -0.10 -0.05 1.94 -0.09 0.41 0.00 0.00 173.24 175.35 2jml h ARG 44 N 1.37 0.51 0.06 12.44 9.65 -1.98 -1.99 114.38 134.44 2jml h ARG 44 Ca -0.50 -0.03 0.03 0.00 -1.10 0.00 0.00 59.98 58.38 2jml h ARG 44 Cb 1.23 -0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 29.66 2jml h ARG 44 CO 0.61 0.34 -0.29 1.05 2.80 0.00 0.00 179.97 184.48 2jml h GLU 45 N 0.53 -0.46 -0.41 0.20 4.11 -1.99 0.16 114.58 116.72 2jml h GLU 45 Ca 0.34 0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.78 2jml h GLU 45 Cb 0.60 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 2jml h GLU 45 CO -0.11 -0.31 0.17 0.93 0.07 0.00 0.00 179.01 179.76 2jml h GLU 46 N -0.48 0.61 -0.90 1.06 4.39 -1.88 -2.94 114.58 114.45 2jml h GLU 46 Ca 0.05 -0.11 0.03 0.00 0.34 0.00 0.00 59.36 59.67 2jml h GLU 46 Cb 0.53 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.03 2jml h GLU 46 CO -0.21 0.56 0.58 0.28 -1.16 0.00 0.00 179.01 179.06 2jml h VAL 47 N 0.53 1.15 0.18 3.13 2.07 -1.13 0.88 116.25 123.06 2jml h VAL 47 Ca 0.14 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.29 2jml h VAL 47 Cb 0.17 -0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 29.83 2jml h VAL 47 CO -0.01 0.21 -0.35 -0.08 0.02 0.00 0.00 177.57 177.35 2jml h GLU 48 N 1.12 -0.60 0.10 1.57 4.57 -0.55 0.20 114.58 121.00 2jml h GLU 48 Ca 0.36 0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.59 2jml h GLU 48 Cb 0.01 0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 2jml h GLU 48 CO -0.12 -0.40 -0.20 0.00 -1.18 0.00 0.00 179.01 177.12 2jml h ALA 49 N -0.05 -0.33 -0.31 2.92 0.00 -1.32 -1.75 119.26 118.41 2jml h ALA 49 Ca 0.01 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2jml h ALA 49 Cb 0.62 0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 2jml h ALA 49 CO -0.17 -0.72 -0.02 0.28 0.00 0.00 0.00 179.25 178.62 2jml h VAL 50 N -0.37 0.75 -0.47 0.00 2.07 -0.66 0.18 116.25 117.74 2jml h VAL 50 Ca 0.03 -0.02 0.08 0.00 0.82 0.00 0.00 66.70 67.60 2jml h VAL 50 Cb 0.39 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 2jml h VAL 50 CO -0.11 0.01 0.11 -0.09 0.02 0.00 0.00 177.57 177.51 2jml h ARG 51 N 0.07 0.24 0.50 1.57 2.43 -0.51 0.14 114.38 118.82 2jml h ARG 51 Ca 0.15 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 2jml h ARG 51 Cb 0.21 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2jml h ARG 51 CO -0.27 0.16 -0.24 -0.09 -1.51 0.00 0.00 179.97 178.02 2jml h ARG 52 N 0.25 -0.65 -0.52 0.20 2.43 -0.55 -1.46 114.38 114.07 2jml h ARG 52 Ca 0.23 0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.55 2jml h ARG 52 Cb 0.29 0.15 -0.09 0.00 -0.42 0.00 0.00 29.97 29.90 2jml h ARG 52 CO -0.29 -0.41 -0.03 0.28 -1.51 0.00 0.00 179.97 178.00 2jml h VAL 53 N -0.72 0.56 -0.58 0.20 2.07 -0.39 0.12 116.25 117.50 2jml h VAL 53 Ca -0.07 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 2jml h VAL 53 Cb 0.54 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 2jml h VAL 53 CO 0.11 0.02 0.33 0.00 0.02 0.00 0.00 177.57 178.05 2jml h ALA 54 N 1.48 0.75 -0.19 1.67 0.00 -0.69 0.14 119.26 122.41 2jml h ALA 54 Ca 0.26 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 2jml h ALA 54 Cb 0.40 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2jml h ALA 54 CO -0.46 0.25 -0.32 -0.09 0.00 0.00 0.00 179.25 178.62 2jml h ARG 55 N 0.79 0.40 -0.64 0.00 1.12 -0.59 -2.71 114.38 112.75 2jml h ARG 55 Ca 0.21 -0.17 -0.01 0.00 -1.11 0.00 0.00 59.98 58.90 2jml h ARG 55 Cb 0.02 -0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 29.93 2jml h ARG 55 CO -0.04 0.68 0.35 -0.07 -3.11 0.00 0.00 179.97 177.79 2jml h LEU 56 N 0.34 0.79 -1.85 3.80 -0.00 -0.44 -2.94 115.31 115.01 2jml h LEU 56 Ca 0.04 -0.09 0.02 0.00 -0.00 0.00 0.00 57.88 57.85 2jml h LEU 56 Cb 0.74 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 41.19 2jml h LEU 56 CO 0.06 0.66 0.13 0.40 -0.00 0.00 0.00 178.44 179.68 2jml h ILE 57 N 0.87 1.01 0.00 1.22 2.04 -0.44 0.96 117.51 123.17 2jml h ILE 57 Ca 0.22 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 66.02 2jml h ILE 57 Cb 0.03 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 2jml h ILE 57 CO -0.04 0.04 0.00 0.00 0.00 0.00 0.00 178.15 178.15 2jml n GLN 58 N -4.51 0.15 -0.00 2.37 1.13 -1.05 -1.65 117.38 113.82 2jml n GLN 58 Ca 0.00 0.50 -0.12 0.00 -1.94 0.00 0.00 57.00 55.45 2jml n GLN 58 Cb 0.13 -1.86 -0.14 0.00 0.11 0.00 0.00 30.24 28.48 2jml n GLN 58 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2jml h GLU 59 N 0.00 0.08 0.00 -1.09 4.39 -0.88 -3.47 114.58 113.61 2jml h GLU 59 Ca 0.00 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.57 2jml h GLU 59 Cb 0.19 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2jml h GLU 59 CO 0.00 0.74 0.00 0.39 -1.16 0.00 0.00 179.01 178.98 2jml n GLU 60 N -3.20 0.00 0.00 2.33 1.02 -1.13 -5.06 120.64 114.60 2jml n GLU 60 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 2jml n GLU 60 Cb 1.04 -0.09 0.00 0.00 -0.02 0.00 0.00 31.44 32.37 2jml n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jml n GLY 61 N -0.44 2.65 0.40 0.62 0.00 -0.66 -4.92 105.19 102.84 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 0.45 -0.73 0.99 5.85 -1.92 -0.20 115.31 119.76 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 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2jml h LEU 62 CO 0.00 0.03 0.22 -1.20 -0.34 0.00 0.00 178.44 177.15 2jml n SER 63 N -4.70 0.28 0.03 1.25 7.64 -1.26 -0.93 113.62 115.93 2jml n SER 63 Ca 0.28 0.53 -0.15 0.00 1.01 0.00 0.00 58.87 60.54 2jml n SER 63 Cb 0.96 -0.50 -0.09 0.00 -1.01 0.00 0.00 64.21 63.57 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 0.04 -0.01 0.44 2.07 -1.34 -0.19 116.25 117.26 2jml h VAL 64 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 2jml h VAL 64 Cb 0.45 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2jml h VAL 64 CO 0.00 0.00 -0.17 0.28 0.02 0.00 0.00 177.57 177.70 2jml h SER 65 N -0.62 0.16 -0.18 0.57 0.02 -1.27 -3.34 113.55 108.89 2jml h SER 65 Ca 0.03 -0.75 -0.10 0.00 -0.84 0.00 0.00 61.79 60.13 2jml h SER 65 Cb 0.70 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.19 2jml h SER 65 CO -0.38 0.89 -0.26 -0.08 -1.14 0.00 0.00 176.83 175.86 2jml h GLU 66 N -0.55 0.50 0.00 3.45 4.57 -1.03 0.17 114.58 121.68 2jml h GLU 66 Ca -0.02 -0.29 -0.10 0.00 -1.18 0.00 0.00 59.36 57.77 2jml h GLU 66 Cb 0.91 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.51 2jml h GLU 66 CO 0.03 0.89 -0.48 0.00 -1.18 0.00 0.00 179.01 178.27 2jml h ALA 67 N 0.61 0.74 0.49 2.92 0.00 -1.26 0.16 119.26 122.92 2jml h ALA 67 Ca 0.02 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 2jml h ALA 67 Cb 0.83 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2jml h ALA 67 CO 0.06 0.60 -0.24 0.82 0.00 0.00 0.00 179.25 180.49 2jml h ILE 68 N 0.00 0.46 -0.74 0.00 2.04 -1.57 -0.04 117.51 117.66 2jml h ILE 68 Ca -0.00 -0.32 0.09 0.00 1.00 0.00 0.00 64.86 65.62 2jml h ILE 68 Cb 1.27 0.59 -0.07 0.00 -0.74 0.00 0.00 36.82 37.87 2jml h ILE 68 CO 0.06 0.05 0.39 0.00 0.00 0.00 0.00 178.15 178.65 2jml h ALA 69 N -0.48 1.02 0.19 1.87 0.00 -0.57 0.83 119.26 122.13 2jml h ALA 69 Ca -0.07 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jml h ALA 69 Cb 0.59 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2jml h ALA 69 CO 0.11 0.00 -0.22 1.96 0.00 0.00 0.00 179.25 181.10 2jml h GLN 70 N 0.66 -0.41 0.00 0.00 4.20 -0.71 0.56 115.11 119.41 2jml h GLN 70 Ca 0.36 0.03 -0.00 0.00 0.06 0.00 0.00 58.65 59.09 2jml h GLN 70 Cb 0.35 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 2jml h GLN 70 CO -0.25 -0.27 -0.02 -0.24 -0.67 0.00 0.00 178.83 177.37 2jml h VAL 71 N -0.42 0.23 0.07 -0.54 3.04 -0.52 0.38 116.25 118.50 2jml h VAL 71 Ca -0.02 -0.15 -0.25 0.00 -1.01 0.00 0.00 66.70 65.27 2jml h VAL 71 Cb 0.37 1.12 -0.01 0.00 -2.01 0.00 0.00 31.29 30.76 2jml h VAL 71 CO -0.04 0.02 -1.18 0.11 -1.01 0.00 0.00 177.57 175.47 2jml h LYS 72 N 0.00 0.15 0.00 4.17 1.79 -0.77 -3.36 116.57 118.55 2jml h LYS 72 Ca -0.00 -0.25 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 2jml h LYS 72 Cb 0.11 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 2jml h LYS 72 CO 0.00 1.09 -1.20 -2.37 -1.08 0.00 0.00 179.45 175.90 2jml n THR 73 N -3.43 0.32 -1.66 -0.16 5.66 0.18 -4.94 114.28 110.25 2jml n THR 73 Ca -0.06 -0.42 -0.48 0.00 -3.05 0.00 0.00 64.05 60.04 2jml n THR 73 Cb 0.99 -0.07 -0.05 0.00 -1.55 0.00 0.00 70.33 69.66 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 -2.31 1.94 -2.09 1.09 -0.58 0.12 -4.92 120.64 113.89 2jml n GLU 74 Ca -0.00 0.70 -0.43 0.00 -0.42 0.00 0.00 57.16 57.02 2jml n GLU 74 Cb 0.51 -2.46 -0.03 0.00 -0.57 0.00 0.00 31.44 28.89 2jml n GLU 74 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2jml s PRO 75 N 1.49 4.07 0.36 3.49 0.04 -1.26 -4.97 135.00 138.22 2jml s PRO 75 Ca 0.83 1.97 -0.27 0.00 0.04 0.00 0.00 61.00 63.57 2jml s PRO 75 Cb -0.74 -3.98 -0.10 0.00 0.04 0.00 0.00 34.50 29.72 2jml s PRO 75 CO 0.43 -0.97 1.28 -1.25 0.04 0.00 0.00 177.00 176.53 2jml s PRO 76 N 4.18 4.21 -0.22 0.56 0.04 -1.26 -5.03 135.00 137.47 2jml s PRO 76 Ca 0.71 2.14 -0.03 0.00 0.04 0.00 0.00 61.00 63.86 2jml s PRO 76 Cb -0.29 -2.93 0.11 0.00 0.04 0.00 0.00 34.50 31.43 2jml s PRO 76 CO 0.27 -0.29 0.30 0.50 0.04 0.00 0.00 177.00 177.83 2jml s ARG 77 N -1.98 0.27 0.00 4.56 6.06 -1.26 -5.30 118.95 121.30 2jml s ARG 77 Ca 0.52 0.39 0.26 0.00 -2.50 0.00 0.00 55.73 54.40 2jml s ARG 77 Cb -0.38 -0.81 1.57 0.00 0.06 0.00 0.00 34.95 35.39 2jml s ARG 77 CO 0.50 -0.64 1.92 -1.91 -2.50 0.00 0.00 175.30 172.67