#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 0.00 -4.91 1.61 2.88 -1.26 -5.17 113.62 106.78 2jml n SER -1 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 2jml n SER -1 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2jml n SER -1 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2jml s HIS 0 N -2.00 3.48 0.03 0.66 5.65 -1.26 -5.03 115.29 116.82 2jml s HIS 0 Ca 0.00 0.58 -0.31 0.00 0.25 0.00 0.00 55.06 55.57 2jml s HIS 0 Cb 0.00 -2.05 -0.10 0.00 -1.18 0.00 0.00 32.58 29.25 2jml s HIS 0 CO 0.00 0.22 1.91 -1.33 -0.65 0.00 0.00 174.74 174.89 2jml n MET 1 N -0.87 2.68 -3.53 2.88 2.81 -1.26 -5.00 117.12 114.82 2jml n MET 1 Ca -0.02 0.98 -0.37 0.00 -1.81 0.00 0.00 57.70 56.48 2jml n MET 1 Cb 0.54 -2.90 -0.07 0.00 -0.71 0.00 0.00 33.22 30.09 2jml n MET 1 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2jml s THR 2 N 3.90 5.27 0.44 2.03 -4.23 -1.26 -4.36 115.64 117.43 2jml s THR 2 Ca 0.88 0.61 0.00 0.00 -1.18 0.00 0.00 61.69 62.01 2jml s THR 2 Cb -0.51 -3.65 -0.00 0.00 1.34 0.00 0.00 72.50 69.68 2jml s THR 2 CO 0.43 0.43 0.01 0.18 -0.54 0.00 0.00 174.62 175.13 2jml n LEU 3 N 3.22 0.00 -4.83 4.79 7.99 0.41 -4.83 117.00 123.75 2jml n LEU 3 Ca -0.12 -2.84 -0.22 0.00 -0.01 0.00 0.00 56.01 52.83 2jml n LEU 3 Cb 0.52 0.38 -0.04 0.00 -0.11 0.00 0.00 43.42 44.17 2jml n LEU 3 CO 0.39 -0.41 -0.09 -0.13 -1.51 0.00 0.00 177.39 175.65 2jml s ARG 4 N -3.61 2.58 0.53 3.23 0.52 -1.26 -0.15 118.95 120.79 2jml s ARG 4 Ca 0.02 -1.43 0.26 0.00 -0.52 0.00 0.00 55.73 54.05 2jml s ARG 4 Cb 0.00 -2.36 1.40 0.00 0.52 0.00 0.00 34.95 34.51 2jml s ARG 4 CO 0.01 0.02 1.99 0.97 0.02 0.00 0.00 175.30 178.31 2jml h ILE 5 N 1.27 0.72 -0.89 1.52 6.09 -1.95 0.58 117.51 124.86 2jml h ILE 5 Ca -0.44 0.00 0.12 0.00 -1.37 0.00 0.00 64.86 63.18 2jml h ILE 5 Cb 1.26 0.72 -0.08 0.00 0.47 0.00 0.00 36.82 39.18 2jml h ILE 5 CO 0.60 0.00 0.51 -0.09 -3.07 0.00 0.00 178.15 176.10 2jml h ARG 6 N 0.00 0.76 -0.18 2.19 1.12 -1.95 0.26 114.38 116.58 2jml h ARG 6 Ca 0.26 -0.05 -0.15 0.00 -1.11 0.00 0.00 59.98 58.93 2jml h ARG 6 Cb 1.06 -0.17 0.00 0.00 -0.01 0.00 0.00 29.97 30.85 2jml h ARG 6 CO -0.00 0.50 -0.49 1.15 -3.11 0.00 0.00 179.97 178.02 2jml h THR 7 N 0.78 1.32 -0.52 0.20 2.02 -1.28 -2.16 112.91 113.27 2jml h THR 7 Ca 0.45 -1.74 -0.04 0.00 0.77 0.00 0.00 66.41 65.85 2jml h THR 7 Cb 0.52 1.94 -0.02 0.00 -1.74 0.00 0.00 68.15 68.85 2jml h THR 7 CO -0.30 0.54 0.16 0.40 0.37 0.00 0.00 175.52 176.69 2jml h ILE 8 N 0.33 1.23 -0.67 3.11 2.04 -1.01 -2.82 117.51 119.72 2jml h ILE 8 Ca -0.01 -0.79 -0.02 0.00 1.00 0.00 0.00 64.86 65.03 2jml h ILE 8 Cb 1.11 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 2jml h ILE 8 CO 0.11 0.29 0.32 0.00 0.00 0.00 0.00 178.15 178.87 2jml h ALA 9 N 1.02 0.86 -1.06 1.87 0.00 -0.59 -3.23 119.26 118.14 2jml h ALA 9 Ca 0.17 -0.14 0.31 0.00 0.00 0.00 0.00 54.91 55.24 2jml h ALA 9 Cb 0.28 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2jml h ALA 9 CO -0.00 0.43 0.89 0.07 0.00 0.00 0.00 179.25 180.63 2jml h ARG 10 N 0.93 0.00 -0.93 0.00 0.11 -1.11 0.26 114.38 113.64 2jml h ARG 10 Ca 0.23 0.00 0.26 0.00 0.10 0.00 0.00 59.98 60.57 2jml h ARG 10 Cb 0.12 0.00 -0.14 0.00 1.11 0.00 0.00 29.97 31.06 2jml h ARG 10 CO -0.03 0.00 0.39 0.52 0.10 0.00 0.00 179.97 180.95 2jml h MET 11 N 0.00 0.29 0.00 0.08 2.86 -1.65 -3.36 114.93 113.14 2jml h MET 11 Ca 0.50 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 58.13 2jml h MET 11 Cb 2.28 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 33.87 2jml h MET 11 CO -0.01 0.19 0.00 0.25 1.06 0.00 0.00 176.91 178.40 2jml n THR 12 N -5.12 0.00 0.00 2.22 -2.24 -0.72 -5.06 114.28 103.36 2jml n THR 12 Ca 0.25 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 2jml n THR 12 Cb 0.78 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 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 1.11 0.36 3.38 0.00 0.85 -4.68 105.19 106.21 2jml n GLY 13 Ca 0.00 -0.01 0.19 0.00 0.00 0.00 0.00 46.02 46.20 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 0.44 0.00 -0.61 -2.65 -1.98 0.02 117.51 112.73 2jml h ILE 14 Ca 0.00 0.00 -0.03 0.00 1.03 0.00 0.00 64.86 65.86 2jml h ILE 14 Cb 0.00 0.73 -0.00 0.00 -2.05 0.00 0.00 36.82 35.50 2jml h ILE 14 CO 0.00 0.00 -0.13 0.03 0.03 0.00 0.00 178.15 178.08 2jml h ARG 15 N 0.00 0.00 -0.66 0.16 3.08 -1.84 -3.28 114.38 111.83 2jml h ARG 15 Ca 0.15 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.21 2jml h ARG 15 Cb 0.82 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.84 2jml h ARG 15 CO -0.00 0.13 0.44 1.49 -1.07 0.00 0.00 179.97 180.96 2jml h GLU 16 N 0.00 0.87 -0.56 0.04 4.81 -1.28 0.32 114.58 118.78 2jml h GLU 16 Ca -0.00 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.22 2jml h GLU 16 Cb 0.23 -0.20 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 2jml h GLU 16 CO 0.02 0.58 0.37 0.00 -0.73 0.00 0.00 179.01 179.25 2jml h ALA 17 N 1.59 1.75 0.14 2.92 0.00 -1.78 0.17 119.26 124.04 2jml h ALA 17 Ca 0.24 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.88 2jml h ALA 17 Cb -0.10 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.53 2jml h ALA 17 CO -0.05 0.18 -1.17 1.15 0.00 0.00 0.00 179.25 179.35 2jml h THR 18 N 0.62 1.25 0.03 0.00 2.02 -1.01 -2.70 112.91 113.11 2jml h THR 18 Ca 0.23 -2.48 0.00 0.00 0.77 0.00 0.00 66.41 64.93 2jml h THR 18 Cb 0.14 2.94 -0.00 0.00 -1.74 0.00 0.00 68.15 69.50 2jml h THR 18 CO -0.06 0.72 -0.02 -0.07 0.37 0.00 0.00 175.52 176.46 2jml h LEU 19 N -0.29 -0.05 -0.99 2.58 3.38 -0.35 0.14 115.31 119.73 2jml h LEU 19 Ca -0.23 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.67 2jml h LEU 19 Cb 1.75 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 42.49 2jml h LEU 19 CO 0.12 -0.03 -0.01 0.03 0.09 0.00 0.00 178.44 178.64 2jml h ARG 20 N -0.05 0.72 0.66 1.13 2.47 -1.13 -2.41 114.38 115.79 2jml h ARG 20 Ca -0.00 -0.19 -0.03 0.00 -1.26 0.00 0.00 59.98 58.51 2jml h ARG 20 Cb 0.04 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 2jml h ARG 20 CO -0.00 0.74 -0.43 0.00 0.56 0.00 0.00 179.97 180.84 2jml h ALA 21 N 1.31 -1.08 -0.87 0.04 0.00 -1.21 -3.20 119.26 114.26 2jml h ALA 21 Ca 0.13 -0.21 0.17 0.00 0.00 0.00 0.00 54.91 55.01 2jml h ALA 21 Cb 0.43 0.55 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 2jml h ALA 21 CO 0.02 -1.13 0.57 -1.49 0.00 0.00 0.00 179.25 177.22 2jml h TRP 22 N -1.04 0.63 -0.92 0.00 6.55 -0.54 0.20 115.95 120.83 2jml h TRP 22 Ca -0.08 0.02 0.24 0.00 0.95 0.00 0.00 58.89 60.02 2jml h TRP 22 Cb 0.85 -0.20 -0.13 0.00 -0.86 0.00 0.00 29.16 28.82 2jml h TRP 22 CO -0.12 0.20 0.40 1.49 -1.05 0.00 0.00 178.44 179.37 2jml h GLU 23 N 0.51 0.35 0.00 0.49 4.22 -1.43 0.37 114.58 119.09 2jml h GLU 23 Ca 0.44 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.86 2jml h GLU 23 Cb 0.94 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.11 2jml h GLU 23 CO -0.18 0.23 -1.72 -2.13 -2.18 0.00 0.00 179.01 173.04 2jml n ARG 24 N -5.07 0.49 -0.01 1.92 0.63 -0.28 -4.01 116.66 110.33 2jml n ARG 24 Ca 0.24 -0.14 -0.09 0.00 -0.92 0.00 0.00 57.85 56.93 2jml n ARG 24 Cb 0.72 -1.52 -0.14 0.00 0.45 0.00 0.00 32.46 31.97 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 0.02 0.00 -0.14 2.43 0.23 -3.45 114.38 113.47 2jml h ARG 25 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2jml h ARG 25 Cb 0.87 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 2jml h ARG 25 CO 0.00 0.62 0.00 0.66 -1.51 0.00 0.00 179.97 179.74 2jml n TYR 26 N -3.12 0.00 0.00 2.20 4.01 0.40 -4.99 117.16 115.66 2jml n TYR 26 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 2jml n TYR 26 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.07 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 -0.07 0.47 3.80 2.72 0.00 0.10 -5.02 105.19 107.19 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 3.83 0.39 1.61 2.19 -1.26 -2.23 117.98 120.52 2jml s PHE 28 Ca 0.00 1.38 -0.27 0.00 0.33 0.00 0.00 56.93 58.37 2jml s PHE 28 Cb 0.00 -2.59 -0.09 0.00 -1.31 0.00 0.00 43.02 39.03 2jml s PHE 28 CO 0.00 0.55 1.32 -1.25 1.83 0.00 0.00 175.22 177.67 2jml s PRO 29 N -1.04 4.02 -0.19 10.12 0.04 -1.26 -4.37 135.00 142.32 2jml s PRO 29 Ca 0.31 2.21 -0.29 0.00 0.04 0.00 0.00 61.00 63.27 2jml s PRO 29 Cb -0.20 -2.81 -0.01 0.00 0.04 0.00 0.00 34.50 31.51 2jml s PRO 29 CO 0.21 -0.47 1.29 1.03 0.04 0.00 0.00 177.00 179.10 2jml s ARG 30 N -2.18 4.16 0.00 4.56 1.81 -0.95 -4.93 118.95 121.43 2jml s ARG 30 Ca 0.56 1.60 -0.30 0.00 -1.72 0.00 0.00 55.73 55.87 2jml s ARG 30 Cb -0.39 -3.80 -0.07 0.00 -0.45 0.00 0.00 34.95 30.24 2jml s ARG 30 CO 0.51 -0.80 1.61 -1.25 -0.68 0.00 0.00 175.30 174.69 2jml s PRO 31 N 3.67 4.20 0.44 3.54 0.04 -1.26 -4.88 135.00 140.74 2jml s PRO 31 Ca 0.56 2.21 -0.24 0.00 0.04 0.00 0.00 61.00 63.56 2jml s PRO 31 Cb -0.21 -3.77 -0.08 0.00 0.04 0.00 0.00 34.50 30.49 2jml s PRO 31 CO 0.17 -0.76 1.25 -0.51 0.04 0.00 0.00 177.00 177.19 2jml s LEU 32 N 3.21 4.11 -1.28 -3.56 1.02 0.03 -4.88 118.68 117.33 2jml s LEU 32 Ca 0.72 2.52 -0.19 0.00 0.02 0.00 0.00 54.13 57.20 2jml s LEU 32 Cb -0.36 -4.06 0.03 0.00 0.02 0.00 0.00 46.19 41.82 2jml s LEU 32 CO 0.30 -0.93 1.83 -1.14 0.02 0.00 0.00 176.35 176.43 2jml n ARG 33 N -0.20 2.83 -1.80 1.70 0.00 -1.26 -4.52 116.66 113.41 2jml n ARG 33 Ca 0.06 -3.02 -0.01 0.00 -0.00 0.00 0.00 57.85 54.88 2jml n ARG 33 Cb 0.45 -3.50 -0.00 0.00 0.00 0.00 0.00 32.46 29.41 2jml n ARG 33 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2jml n SER 34 N 9.23 -0.04 -4.11 6.15 2.88 -1.26 -5.18 113.62 121.29 2jml n SER 34 Ca 0.49 -1.07 -0.30 0.00 -1.33 0.00 0.00 58.87 56.66 2jml n SER 34 Cb 0.45 0.08 0.22 0.00 -0.75 0.00 0.00 64.21 64.22 2jml n SER 34 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 2jml s GLU 35 N -2.04 -0.75 0.00 -1.46 2.12 -1.26 -4.97 118.70 110.35 2jml s GLU 35 Ca 0.01 0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.48 2jml s GLU 35 Cb -0.00 -1.63 0.00 0.00 0.26 0.00 0.00 34.13 32.76 2jml s GLU 35 CO 0.01 -3.44 0.00 0.41 -0.54 0.00 0.00 175.26 171.70 2jml n GLY 36 N -0.91 0.34 0.02 -1.50 0.00 -1.26 -4.61 105.19 97.28 2jml n GLY 36 Ca 0.10 -1.10 -0.02 0.00 0.00 0.00 0.00 46.02 45.00 2jml n GLY 36 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jml n ASN 37 N 0.00 0.39 0.28 1.61 5.15 -1.26 -4.63 115.26 116.80 2jml n ASN 37 Ca 0.00 0.07 0.13 0.00 -0.60 0.00 0.00 54.58 54.18 2jml n ASN 37 Cb 0.00 -0.55 0.80 0.00 -0.53 0.00 0.00 39.78 39.50 2jml n ASN 37 CO 0.00 0.00 0.00 -1.13 1.40 0.00 0.00 177.26 177.53 2jml h ASN 38 N -0.20 0.00 -4.09 1.20 -1.24 -2.05 -3.42 115.58 105.78 2jml h ASN 38 Ca 0.00 0.00 -0.69 0.00 0.71 0.00 0.00 56.30 56.32 2jml h ASN 38 Cb 0.20 0.00 -0.24 0.00 0.73 0.00 0.00 38.32 39.01 2jml h ASN 38 CO 0.00 0.07 -0.87 -0.31 -1.29 0.00 0.00 177.43 175.03 2jml s TYR 39 N -4.41 2.31 0.22 0.67 1.51 -1.26 -5.11 117.35 111.28 2jml s TYR 39 Ca -0.04 -0.40 0.11 0.00 -1.01 0.00 0.00 57.07 55.74 2jml s TYR 39 Cb 0.14 -1.31 -0.05 0.00 -0.11 0.00 0.00 41.96 40.63 2jml s TYR 39 CO 0.57 0.24 -0.18 1.03 -1.11 0.00 0.00 175.55 176.11 2jml s ARG 40 N -1.70 1.73 0.01 -0.62 3.00 -1.26 -4.44 118.95 115.68 2jml s ARG 40 Ca 0.13 -1.52 -0.01 0.00 0.00 0.00 0.00 55.73 54.33 2jml s ARG 40 Cb -0.10 -1.92 -0.04 0.00 0.00 0.00 0.00 34.95 32.89 2jml s ARG 40 CO 0.04 0.39 0.16 0.14 0.00 0.00 0.00 175.30 176.03 2jml s VAL 41 N -1.93 5.24 0.00 3.52 -7.23 -1.26 -3.63 120.40 115.10 2jml s VAL 41 Ca 0.25 -0.30 -0.14 0.00 -1.81 0.00 0.00 61.98 59.98 2jml s VAL 41 Cb -0.07 -3.47 0.02 0.00 0.56 0.00 0.00 36.38 33.42 2jml s VAL 41 CO 0.13 0.27 0.30 -0.31 -0.31 0.00 0.00 175.10 175.19 2jml s TYR 42 N -1.35 -0.16 0.39 2.82 2.02 0.78 -0.79 117.35 121.07 2jml s TYR 42 Ca 0.28 0.18 0.08 0.00 -0.37 0.00 0.00 57.07 57.24 2jml s TYR 42 Cb -0.13 0.09 -0.00 0.00 -0.40 0.00 0.00 41.96 41.52 2jml s TYR 42 CO 0.20 -0.42 0.48 -1.12 -1.57 0.00 0.00 175.55 173.13 2jml s SER 43 N -1.51 5.58 0.46 2.29 0.01 -1.26 -0.44 113.70 118.83 2jml s SER 43 Ca -0.11 -0.43 0.12 0.00 1.31 0.00 0.00 55.95 56.83 2jml s SER 43 Cb -0.04 -0.82 1.05 0.00 0.21 0.00 0.00 66.02 66.42 2jml s SER 43 CO 0.02 -0.62 2.09 -0.09 0.41 0.00 0.00 173.24 175.06 2jml h ARG 44 N 0.84 0.26 -0.85 12.44 9.65 -1.95 -2.08 114.38 132.69 2jml h ARG 44 Ca -0.42 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.41 2jml h ARG 44 Cb 1.27 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 29.75 2jml h ARG 44 CO 0.51 0.19 0.40 1.05 2.80 0.00 0.00 179.97 184.91 2jml h GLU 45 N 0.27 1.23 0.02 0.20 4.11 -1.97 0.26 114.58 118.70 2jml h GLU 45 Ca 0.07 -0.19 -0.00 0.00 0.07 0.00 0.00 59.36 59.31 2jml h GLU 45 Cb -0.00 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.03 2jml h GLU 45 CO -0.01 0.95 -0.01 0.93 0.07 0.00 0.00 179.01 180.94 2jml h GLU 46 N 1.22 -0.02 -0.86 1.06 3.07 -1.87 -3.18 114.58 113.99 2jml h GLU 46 Ca 0.29 0.00 0.11 0.00 -0.50 0.00 0.00 59.36 59.27 2jml h GLU 46 Cb 0.13 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 27.97 2jml h GLU 46 CO -0.03 0.22 0.49 0.28 -1.40 0.00 0.00 179.01 178.56 2jml h VAL 47 N -0.26 0.86 0.09 3.13 2.07 -0.90 0.17 116.25 121.41 2jml h VAL 47 Ca -0.00 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.27 2jml h VAL 47 Cb 0.25 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 29.99 2jml h VAL 47 CO 0.00 0.14 -0.48 -0.08 0.02 0.00 0.00 177.57 177.17 2jml h GLU 48 N 0.77 -0.67 0.37 1.57 4.57 -0.52 0.32 114.58 121.00 2jml h GLU 48 Ca 0.43 0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.64 2jml h GLU 48 Cb 0.47 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.22 2jml h GLU 48 CO -0.28 -0.45 -0.19 0.00 -1.18 0.00 0.00 179.01 176.91 2jml h ALA 49 N -0.34 -0.51 -0.24 2.92 0.00 -1.44 -2.48 119.26 117.16 2jml h ALA 49 Ca 0.01 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.85 2jml h ALA 49 Cb 0.72 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2jml h ALA 49 CO -0.29 -0.79 0.04 0.28 0.00 0.00 0.00 179.25 178.49 2jml h VAL 50 N -0.52 0.87 -0.54 0.00 2.07 -0.47 0.24 116.25 117.91 2jml h VAL 50 Ca -0.05 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 2jml h VAL 50 Cb 0.40 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 2jml h VAL 50 CO 0.07 0.02 0.25 -0.09 0.02 0.00 0.00 177.57 177.85 2jml h ARG 51 N 0.12 0.76 0.62 1.57 1.12 -0.40 0.17 114.38 118.34 2jml h ARG 51 Ca 0.11 -0.10 -0.03 0.00 -1.11 0.00 0.00 59.98 58.86 2jml h ARG 51 Cb 0.12 -0.15 0.01 0.00 -0.01 0.00 0.00 29.97 29.94 2jml h ARG 51 CO -0.16 0.60 -0.30 0.00 -3.11 0.00 0.00 179.97 177.01 2jml h ARG 52 N 0.76 -0.80 -0.72 0.20 3.08 -0.92 -2.89 114.38 113.08 2jml h ARG 52 Ca 0.19 0.05 0.16 0.00 0.07 0.00 0.00 59.98 60.45 2jml h ARG 52 Cb 0.10 0.18 -0.13 0.00 0.08 0.00 0.00 29.97 30.20 2jml h ARG 52 CO -0.02 -0.53 -0.07 0.28 -1.07 0.00 0.00 179.97 178.56 2jml h VAL 53 N -0.92 0.33 -0.57 2.04 2.07 -0.17 0.21 116.25 119.24 2jml h VAL 53 Ca -0.08 -0.02 0.06 0.00 0.82 0.00 0.00 66.70 67.47 2jml h VAL 53 Cb 0.63 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 2jml h VAL 53 CO 0.14 0.01 0.29 0.00 0.02 0.00 0.00 177.57 178.03 2jml h ALA 54 N 1.70 0.74 -0.20 1.67 0.00 -0.79 0.19 119.26 122.57 2jml h ALA 54 Ca 0.38 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 55.13 2jml h ALA 54 Cb 0.63 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2jml h ALA 54 CO -0.68 -0.06 -0.63 -0.09 0.00 0.00 0.00 179.25 177.79 2jml h ARG 55 N 0.55 0.70 -0.97 0.00 2.43 -0.90 -2.91 114.38 113.28 2jml h ARG 55 Ca 0.26 -0.49 0.09 0.00 -0.81 0.00 0.00 59.98 59.02 2jml h ARG 55 Cb 0.18 0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.74 2jml h ARG 55 CO -0.18 1.11 0.62 1.25 -1.51 0.00 0.00 179.97 181.26 2jml h LEU 56 N 0.52 0.94 -1.25 3.80 7.12 -0.27 -1.37 115.31 124.79 2jml h LEU 56 Ca -0.01 0.02 -0.02 0.00 0.13 0.00 0.00 57.88 58.00 2jml h LEU 56 Cb 1.22 -0.17 -0.03 0.00 -0.53 0.00 0.00 40.66 41.16 2jml h LEU 56 CO 0.13 0.56 0.23 0.40 -0.13 0.00 0.00 178.44 179.62 2jml h ILE 57 N 1.04 1.19 0.00 4.05 2.04 -0.56 -0.88 117.51 124.38 2jml h ILE 57 Ca 0.44 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2jml h ILE 57 Cb 0.32 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2jml h ILE 57 CO -0.20 0.22 0.00 1.56 0.00 0.00 0.00 178.15 179.74 2jml h GLN 58 N 0.74 0.00 0.12 2.37 4.20 -1.05 -0.80 115.11 120.69 2jml h GLN 58 Ca 0.18 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.54 2jml h GLN 58 Cb 0.12 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 2jml h GLN 58 CO -0.02 0.00 -1.89 0.93 -0.67 0.00 0.00 178.83 177.18 2jml h GLU 59 N 0.00 0.26 0.00 1.46 5.08 -1.06 -3.46 114.58 116.85 2jml h GLU 59 Ca 0.00 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2jml h GLU 59 Cb 0.17 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2jml h GLU 59 CO 0.00 1.15 0.00 0.39 -1.00 0.00 0.00 179.01 179.55 2jml n GLU 60 N -3.45 0.57 0.00 2.33 1.02 -1.03 -5.07 120.64 115.02 2jml n GLU 60 Ca -0.28 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.86 2jml n GLU 60 Cb 1.05 -0.35 0.00 0.00 -0.02 0.00 0.00 31.44 32.12 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 0.17 2.32 0.44 0.62 0.00 -0.32 -4.81 105.19 103.62 2jml n GLY 61 Ca 0.00 -0.29 0.26 0.00 0.00 0.00 0.00 46.02 45.99 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 0.29 -1.06 0.99 5.85 -1.91 -0.45 115.31 119.02 2jml h LEU 62 Ca 0.00 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.77 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 0.06 0.34 0.28 -0.34 0.00 0.00 178.44 178.78 2jml h SER 63 N 0.26 0.00 -0.14 1.25 0.02 -1.87 0.50 113.55 113.57 2jml h SER 63 Ca 0.57 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.54 2jml h SER 63 Cb 1.71 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 64.22 2jml h SER 63 CO -0.19 0.00 -0.22 0.58 -1.14 0.00 0.00 176.83 175.86 2jml h VAL 64 N 0.00 0.00 0.23 2.27 2.07 -1.37 0.04 116.25 119.49 2jml h VAL 64 Ca 0.00 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.19 2jml h VAL 64 Cb 0.69 0.00 0.03 0.00 -1.52 0.00 0.00 31.29 30.49 2jml h VAL 64 CO 0.00 0.00 -1.44 -1.28 0.02 0.00 0.00 177.57 174.87 2jml h SER 65 N -0.17 0.80 0.83 0.57 0.87 -1.21 -3.24 113.55 112.00 2jml h SER 65 Ca 0.03 -0.84 -0.04 0.00 -1.23 0.00 0.00 61.79 59.70 2jml h SER 65 Cb 0.24 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2jml h SER 65 CO -0.22 1.66 -0.40 -0.33 -0.53 0.00 0.00 176.83 177.01 2jml h GLU 66 N 0.15 -1.07 0.00 2.24 5.08 -1.20 0.16 114.58 119.93 2jml h GLU 66 Ca -0.24 0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.14 2jml h GLU 66 Cb 2.13 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 31.62 2jml h GLU 66 CO 0.27 -0.71 -0.25 0.00 -1.00 0.00 0.00 179.01 177.32 2jml h ALA 67 N -1.22 1.04 0.68 3.43 0.00 -1.17 0.28 119.26 122.30 2jml h ALA 67 Ca -0.11 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 2jml h ALA 67 Cb 0.86 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.62 2jml h ALA 67 CO 0.19 0.31 -0.32 0.82 0.00 0.00 0.00 179.25 180.25 2jml h ILE 68 N 0.00 0.22 -0.96 0.00 2.04 -1.58 -0.43 117.51 116.80 2jml h ILE 68 Ca -0.00 -0.23 0.04 0.00 1.00 0.00 0.00 64.86 65.67 2jml h ILE 68 Cb 0.74 0.28 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 2jml h ILE 68 CO 0.03 0.02 0.63 0.00 0.00 0.00 0.00 178.15 178.83 2jml h ALA 69 N -0.89 1.39 0.46 1.87 0.00 -0.40 0.88 119.26 122.56 2jml h ALA 69 Ca -0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2jml h ALA 69 Cb 0.73 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2jml h ALA 69 CO 0.15 0.52 -0.41 1.96 0.00 0.00 0.00 179.25 181.47 2jml h GLN 70 N 1.20 -0.82 0.00 0.00 4.20 -0.52 -1.36 115.11 117.82 2jml h GLN 70 Ca 0.38 0.06 -0.01 0.00 0.06 0.00 0.00 58.65 59.14 2jml h GLN 70 Cb 0.02 0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 2jml h GLN 70 CO -0.12 -0.55 -0.05 -0.24 -0.67 0.00 0.00 178.83 177.20 2jml h VAL 71 N -0.85 0.43 -0.52 -0.54 3.04 -0.64 0.43 116.25 117.60 2jml h VAL 71 Ca -0.06 -0.25 -0.06 0.00 -1.01 0.00 0.00 66.70 65.32 2jml h VAL 71 Cb 0.72 1.17 -0.02 0.00 -2.01 0.00 0.00 31.29 31.16 2jml h VAL 71 CO -0.02 0.05 0.08 0.11 -1.01 0.00 0.00 177.57 176.78 2jml h LYS 72 N 0.00 0.86 0.00 4.17 1.79 -0.64 -3.08 116.57 119.68 2jml h LYS 72 Ca -0.00 -0.24 -0.07 0.00 -2.18 0.00 0.00 60.65 58.16 2jml h LYS 72 Cb 0.17 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 2jml h LYS 72 CO 0.01 0.85 -0.76 0.00 -1.08 0.00 0.00 179.45 178.47 2jml h THR 73 N 0.74 0.36 -2.73 -0.16 1.03 0.04 -3.41 112.91 108.79 2jml h THR 73 Ca 0.16 -1.58 -0.61 0.00 -0.01 0.00 0.00 66.41 64.36 2jml h THR 73 Cb 0.41 1.99 -0.42 0.00 -1.07 0.00 0.00 68.15 69.07 2jml h THR 73 CO 0.01 0.20 -0.62 -0.62 -0.01 0.00 0.00 175.52 174.48 2jml n GLU 74 N -2.97 1.90 -1.75 0.00 1.02 0.14 -5.09 120.64 113.89 2jml n GLU 74 Ca -0.01 -4.42 -0.33 0.00 -0.02 0.00 0.00 57.16 52.38 2jml n GLU 74 Cb 0.67 -2.20 0.05 0.00 -0.02 0.00 0.00 31.44 29.94 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 -1.67 2.80 0.51 3.49 0.04 -1.16 -4.40 135.00 134.59 2jml s PRO 75 Ca 0.30 1.39 -0.20 0.00 0.04 0.00 0.00 61.00 62.53 2jml s PRO 75 Cb 0.03 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.55 2jml s PRO 75 CO -0.12 -1.25 1.09 -1.25 0.04 0.00 0.00 177.00 175.50 2jml s PRO 76 N -4.09 3.61 -0.32 0.56 0.04 -1.26 -5.05 135.00 128.49 2jml s PRO 76 Ca 0.67 1.51 0.03 0.00 0.04 0.00 0.00 61.00 63.25 2jml s PRO 76 Cb -0.21 -2.09 0.16 0.00 0.04 0.00 0.00 34.50 32.41 2jml s PRO 76 CO 0.42 -0.62 0.43 0.50 0.04 0.00 0.00 177.00 177.77 2jml s ARG 77 N -3.19 0.50 0.00 4.56 6.06 -1.26 -5.23 118.95 120.39 2jml s ARG 77 Ca 0.69 -0.07 0.29 0.00 -2.50 0.00 0.00 55.73 54.14 2jml s ARG 77 Cb -0.21 -0.32 1.25 0.00 0.06 0.00 0.00 34.95 35.74 2jml s ARG 77 CO 0.24 -1.08 1.86 0.39 -2.50 0.00 0.00 175.30 174.21