#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jml s SER -1 N 0.00 3.10 -0.21 1.61 0.01 -1.26 -5.16 113.70 111.80 2jml s SER -1 Ca 0.00 -1.00 -0.27 0.00 1.31 0.00 0.00 55.95 55.99 2jml s SER -1 Cb 0.00 -0.22 0.08 0.00 0.21 0.00 0.00 66.02 66.09 2jml s SER -1 CO 0.00 -0.04 0.75 -1.38 0.41 0.00 0.00 173.24 172.98 2jml s HIS 0 N -2.60 -0.71 0.20 2.43 0.00 -1.26 -5.20 115.29 108.15 2jml s HIS 0 Ca 0.25 1.59 -0.23 0.00 -3.00 0.00 0.00 55.06 53.67 2jml s HIS 0 Cb -0.04 0.32 0.05 0.00 -4.00 0.00 0.00 32.58 28.92 2jml s HIS 0 CO 0.11 -0.43 0.78 1.41 -1.00 0.00 0.00 174.74 175.61 2jml s MET 1 N -0.11 1.46 -0.02 -0.38 -2.45 -1.26 -5.19 119.30 111.35 2jml s MET 1 Ca -0.03 -0.75 -0.04 0.00 -1.25 0.00 0.00 55.69 53.62 2jml s MET 1 Cb -0.03 0.53 0.00 0.00 1.25 0.00 0.00 34.83 36.58 2jml s MET 1 CO 0.03 -0.66 0.09 0.95 1.05 0.00 0.00 175.02 176.48 2jml s THR 2 N -3.65 0.04 0.20 10.11 -4.23 -1.26 -4.52 115.64 112.34 2jml s THR 2 Ca 0.09 -0.36 0.08 0.00 -1.18 0.00 0.00 61.69 60.32 2jml s THR 2 Cb -0.03 -0.25 -0.05 0.00 1.34 0.00 0.00 72.50 73.51 2jml s THR 2 CO 0.01 -0.20 -0.15 -0.76 -0.54 0.00 0.00 174.62 172.98 2jml s LEU 3 N -0.63 2.53 0.42 4.79 2.01 -0.23 -4.85 118.68 122.73 2jml s LEU 3 Ca -0.07 -0.98 -0.07 0.00 0.01 0.00 0.00 54.13 53.01 2jml s LEU 3 Cb -0.04 -0.72 -0.05 0.00 0.01 0.00 0.00 46.19 45.39 2jml s LEU 3 CO 0.00 -0.13 0.75 0.00 1.01 0.00 0.00 176.35 177.97 2jml s ARG 4 N -3.44 3.65 0.29 1.70 1.70 -1.26 -0.21 118.95 121.38 2jml s ARG 4 Ca 0.21 0.28 0.02 0.00 -0.47 0.00 0.00 55.73 55.77 2jml s ARG 4 Cb -0.02 -2.42 0.58 0.00 -0.57 0.00 0.00 34.95 32.52 2jml s ARG 4 CO 0.07 -0.07 1.83 0.97 -1.08 0.00 0.00 175.30 177.02 2jml h ILE 5 N 0.75 0.90 -0.95 4.99 -0.00 -1.88 0.20 117.51 121.51 2jml h ILE 5 Ca -0.47 -0.33 0.09 0.00 -0.00 0.00 0.00 64.86 64.15 2jml h ILE 5 Cb 1.20 -0.16 -0.07 0.00 -0.00 0.00 0.00 36.82 37.79 2jml h ILE 5 CO 0.63 0.18 0.61 0.03 -0.00 0.00 0.00 178.15 179.60 2jml h ARG 6 N 0.97 0.98 -0.06 2.19 3.08 -1.95 0.69 114.38 120.27 2jml h ARG 6 Ca 0.50 -0.06 -0.17 0.00 0.07 0.00 0.00 59.98 60.33 2jml h ARG 6 Cb 0.53 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 2jml h ARG 6 CO -0.27 0.65 -0.69 1.15 -1.07 0.00 0.00 179.97 179.73 2jml h THR 7 N 1.01 1.40 0.54 2.04 2.02 -1.37 -0.67 112.91 117.87 2jml h THR 7 Ca 0.44 -2.14 -0.03 0.00 0.77 0.00 0.00 66.41 65.45 2jml h THR 7 Cb 0.35 2.11 0.01 0.00 -1.74 0.00 0.00 68.15 68.88 2jml h THR 7 CO -0.20 0.63 -0.26 0.40 0.37 0.00 0.00 175.52 176.47 2jml h ILE 8 N 0.21 0.46 -0.90 3.11 2.04 -0.58 -3.23 117.51 118.61 2jml h ILE 8 Ca -0.02 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.74 2jml h ILE 8 Cb 1.24 0.51 -0.05 0.00 -0.74 0.00 0.00 36.82 37.78 2jml h ILE 8 CO 0.11 0.02 0.60 0.00 0.00 0.00 0.00 178.15 178.88 2jml h ALA 9 N -0.36 1.37 0.00 1.87 0.00 -0.88 -2.38 119.26 118.87 2jml h ALA 9 Ca -0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2jml h ALA 9 Cb 0.59 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2jml h ALA 9 CO 0.12 0.58 0.29 0.54 0.00 0.00 0.00 179.25 180.79 2jml n ARG 10 N -4.40 0.09 -0.02 0.00 5.12 -0.26 -0.32 116.66 116.86 2jml n ARG 10 Ca 0.11 0.57 0.18 0.00 -1.93 0.00 0.00 57.85 56.78 2jml n ARG 10 Cb 0.03 -2.09 0.65 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 0.09 0.00 5.56 2.86 -1.50 -3.40 114.93 118.54 2jml h MET 11 Ca 0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2jml h MET 11 Cb 0.58 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.22 2jml h MET 11 CO 0.00 0.06 0.00 -2.37 1.06 0.00 0.00 176.91 175.66 2jml n THR 12 N -4.41 0.00 0.00 2.22 5.66 -0.57 -5.05 114.28 112.14 2jml n THR 12 Ca 0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 2jml n THR 12 Cb 0.56 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.34 2jml n THR 12 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jml n GLY 13 N 0.00 1.38 0.37 1.09 0.00 0.57 -4.68 105.19 103.92 2jml n GLY 13 Ca 0.00 -0.01 0.14 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 0.83 0.00 -0.61 -0.00 -1.97 0.13 117.51 115.88 2jml h ILE 14 Ca 0.00 -0.17 -0.01 0.00 -0.00 0.00 0.00 64.86 64.68 2jml h ILE 14 Cb 0.00 0.30 -0.00 0.00 -0.00 0.00 0.00 36.82 37.12 2jml h ILE 14 CO 0.00 0.09 -0.05 0.03 -0.00 0.00 0.00 178.15 178.22 2jml h ARG 15 N 0.49 0.00 -0.87 0.16 3.08 -1.84 -3.18 114.38 112.22 2jml h ARG 15 Ca 0.37 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.47 2jml h ARG 15 Cb 0.76 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.75 2jml h ARG 15 CO -0.13 0.05 0.55 1.49 -1.07 0.00 0.00 179.97 180.86 2jml h GLU 16 N 0.00 1.00 -0.46 0.04 4.81 -1.01 0.18 114.58 119.13 2jml h GLU 16 Ca -0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2jml h GLU 16 Cb 0.12 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 2jml h GLU 16 CO 0.01 0.66 0.30 0.00 -0.73 0.00 0.00 179.01 179.24 2jml h ALA 17 N 1.39 1.66 0.07 2.92 0.00 -1.73 0.66 119.26 124.22 2jml h ALA 17 Ca 0.36 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.10 2jml h ALA 17 Cb 0.10 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.72 2jml h ALA 17 CO -0.15 0.31 -0.57 1.15 0.00 0.00 0.00 179.25 179.99 2jml h THR 18 N 0.62 1.54 -0.01 0.00 2.02 -1.35 -2.60 112.91 113.13 2jml h THR 18 Ca 0.17 -2.32 0.01 0.00 0.77 0.00 0.00 66.41 65.03 2jml h THR 18 Cb -0.06 3.03 -0.01 0.00 -1.74 0.00 0.00 68.15 69.37 2jml h THR 18 CO -0.04 0.65 -0.02 -0.07 0.37 0.00 0.00 175.52 176.42 2jml h LEU 19 N -0.42 -0.05 -1.02 2.58 3.38 -0.41 0.90 115.31 120.28 2jml h LEU 19 Ca -0.09 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 2jml h LEU 19 Cb 1.39 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 2jml h LEU 19 CO 0.11 -0.03 -0.41 0.03 0.09 0.00 0.00 178.44 178.23 2jml h ARG 20 N -0.02 0.00 0.50 1.13 2.47 -1.02 -1.43 114.38 115.99 2jml h ARG 20 Ca 0.01 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.71 2jml h ARG 20 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.37 2jml h ARG 20 CO -0.03 0.41 -0.24 0.00 0.56 0.00 0.00 179.97 180.68 2jml h ALA 21 N 1.59 -0.67 -0.88 0.04 0.00 -1.24 -3.28 119.26 114.82 2jml h ALA 21 Ca -0.00 -0.17 0.15 0.00 0.00 0.00 0.00 54.91 54.89 2jml h ALA 21 Cb 0.86 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 2jml h ALA 21 CO 0.05 -0.82 0.57 -1.49 0.00 0.00 0.00 179.25 177.56 2jml h TRP 22 N -0.78 0.76 -1.11 0.00 6.55 -0.34 -0.24 115.95 120.79 2jml h TRP 22 Ca -0.07 0.02 0.32 0.00 0.95 0.00 0.00 58.89 60.12 2jml h TRP 22 Cb 0.56 -0.24 -0.11 0.00 -0.86 0.00 0.00 29.16 28.51 2jml h TRP 22 CO -0.02 0.27 0.70 1.49 -1.05 0.00 0.00 178.44 179.83 2jml h GLU 23 N 0.63 0.29 0.00 0.49 4.81 -1.34 0.26 114.58 119.72 2jml h GLU 23 Ca 0.44 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 2jml h GLU 23 Cb 0.78 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.09 2jml h GLU 23 CO -0.20 0.19 -0.96 0.54 -0.73 0.00 0.00 179.01 177.86 2jml n ARG 24 N -4.73 1.61 -0.05 1.92 1.74 -0.32 -4.15 116.66 112.69 2jml n ARG 24 Ca 0.30 -0.03 -0.15 0.00 -0.77 0.00 0.00 57.85 57.20 2jml n ARG 24 Cb 1.05 -1.26 -0.14 0.00 -1.02 0.00 0.00 32.46 31.10 2jml n ARG 24 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2jml n ARG 25 N -1.52 0.69 0.00 5.56 0.63 -0.25 -4.88 116.66 116.88 2jml n ARG 25 Ca 0.02 0.19 0.00 0.00 -0.92 0.00 0.00 57.85 57.14 2jml n ARG 25 Cb 0.28 -1.66 0.00 0.00 0.45 0.00 0.00 32.46 31.53 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 -3.16 0.00 0.00 -0.14 4.01 0.31 -5.01 117.16 113.17 2jml n TYR 26 Ca -0.30 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.44 2jml n TYR 26 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.09 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 0.04 1.45 3.76 2.72 0.00 0.64 -5.01 105.19 108.79 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 -2.41 3.86 0.48 1.61 2.19 -1.26 -2.50 117.98 119.94 2jml s PHE 28 Ca 0.00 1.85 -0.23 0.00 0.33 0.00 0.00 56.93 58.88 2jml s PHE 28 Cb 0.00 -2.94 -0.07 0.00 -1.31 0.00 0.00 43.02 38.70 2jml s PHE 28 CO 0.00 0.36 1.25 -1.25 1.83 0.00 0.00 175.22 177.41 2jml s PRO 29 N -1.55 3.60 -0.06 10.12 0.04 -1.26 -4.44 135.00 141.45 2jml s PRO 29 Ca 0.45 1.99 -0.21 0.00 0.04 0.00 0.00 61.00 63.27 2jml s PRO 29 Cb -0.23 -2.43 -0.04 0.00 0.04 0.00 0.00 34.50 31.84 2jml s PRO 29 CO 0.28 -0.74 0.59 1.03 0.04 0.00 0.00 177.00 178.20 2jml s ARG 30 N -2.68 4.37 0.62 4.56 0.52 -1.04 -4.92 118.95 120.38 2jml s ARG 30 Ca 0.65 0.69 -0.18 0.00 -0.52 0.00 0.00 55.73 56.37 2jml s ARG 30 Cb -0.34 -3.41 -0.02 0.00 0.52 0.00 0.00 34.95 31.70 2jml s ARG 30 CO 0.41 0.19 1.18 -1.25 0.02 0.00 0.00 175.30 175.86 2jml s PRO 31 N 0.43 2.83 0.00 3.54 0.04 -1.26 -4.85 135.00 135.73 2jml s PRO 31 Ca 0.32 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2jml s PRO 31 Cb -0.17 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2jml s PRO 31 CO 0.15 -1.29 0.21 1.28 0.04 0.00 0.00 177.00 177.39 2jml n LEU 32 N -1.89 1.47 -4.95 -3.56 4.77 -0.17 -4.90 117.00 107.76 2jml n LEU 32 Ca 0.13 0.21 -0.24 0.00 -0.03 0.00 0.00 56.01 56.07 2jml n LEU 32 Cb 0.50 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.66 2jml n LEU 32 CO 0.45 0.00 0.55 -0.13 -1.33 0.00 0.00 177.39 176.93 2jml s ARG 33 N -0.41 2.22 0.00 3.23 0.52 -1.26 -5.11 118.95 118.13 2jml s ARG 33 Ca 0.00 -0.46 0.00 0.00 -0.52 0.00 0.00 55.73 54.75 2jml s ARG 33 Cb 0.00 -2.26 0.00 0.00 0.52 0.00 0.00 34.95 33.21 2jml s ARG 33 CO 0.00 -1.13 0.00 -1.13 0.02 0.00 0.00 175.30 173.06 2jml n SER 34 N -2.77 -0.18 -4.56 0.23 3.41 -1.26 -4.90 113.62 103.58 2jml n SER 34 Ca 0.09 -0.18 -0.28 0.00 -0.26 0.00 0.00 58.87 58.24 2jml n SER 34 Cb 0.60 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.78 2jml n SER 34 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2jml s GLU 35 N -0.79 -0.48 0.00 4.33 2.12 -1.26 -4.92 118.70 117.70 2jml s GLU 35 Ca 0.00 0.67 0.00 0.00 0.36 0.00 0.00 54.97 56.00 2jml s GLU 35 Cb 0.00 -1.62 0.00 0.00 0.26 0.00 0.00 34.13 32.77 2jml s GLU 35 CO 0.00 -3.38 0.00 0.41 -0.54 0.00 0.00 175.26 171.75 2jml n GLY 36 N 0.03 0.77 0.35 -1.50 0.00 -1.26 -4.89 105.19 98.69 2jml n GLY 36 Ca 0.04 -2.04 0.05 0.00 0.00 0.00 0.00 46.02 44.07 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 0.72 -2.75 1.61 2.35 -2.05 -3.37 115.58 112.08 2jml h ASN 37 Ca 0.00 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.21 2jml h ASN 37 Cb 0.00 -0.15 -0.07 0.00 0.05 0.00 0.00 38.32 38.15 2jml h ASN 37 CO 0.00 0.47 1.08 0.21 -1.65 0.00 0.00 177.43 177.54 2jml s ASN 38 N -6.21 6.16 1.10 5.81 3.04 -1.26 -5.01 114.94 118.56 2jml s ASN 38 Ca -0.10 0.08 -0.14 0.00 0.04 0.00 0.00 52.86 52.74 2jml s ASN 38 Cb 0.19 -2.55 0.18 0.00 -1.54 0.00 0.00 41.25 37.53 2jml s ASN 38 CO 0.78 -1.73 0.62 -1.22 -3.04 0.00 0.00 177.10 172.51 2jml n TYR 39 N 9.46 -1.07 -1.51 0.43 4.01 -1.26 -4.77 117.16 122.45 2jml n TYR 39 Ca 0.10 0.06 -0.13 0.00 -0.16 0.00 0.00 57.90 57.78 2jml n TYR 39 Cb 0.49 -1.71 -0.10 0.00 -0.31 0.00 0.00 39.34 37.72 2jml n TYR 39 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 2jml n ARG 40 N -3.49 0.22 -3.92 -0.72 1.85 -1.26 -4.92 116.66 104.42 2jml n ARG 40 Ca 0.04 -1.15 -0.21 0.00 -1.00 0.00 0.00 57.85 55.53 2jml n ARG 40 Cb 0.56 -3.38 -0.03 0.00 -1.05 0.00 0.00 32.46 28.56 2jml n ARG 40 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 2jml s VAL 41 N 13.77 4.33 0.01 8.89 -7.23 -1.26 -2.64 120.40 136.27 2jml s VAL 41 Ca 0.80 -1.26 -0.07 0.00 -1.81 0.00 0.00 61.98 59.64 2jml s VAL 41 Cb -0.12 -3.44 -0.00 0.00 0.56 0.00 0.00 36.38 33.38 2jml s VAL 41 CO 0.16 -0.28 0.13 -0.31 -0.31 0.00 0.00 175.10 174.49 2jml s TYR 42 N -2.15 0.08 0.52 2.82 1.51 0.71 -1.00 117.35 119.83 2jml s TYR 42 Ca 0.37 -0.23 -0.05 0.00 -1.01 0.00 0.00 57.07 56.14 2jml s TYR 42 Cb -0.08 -0.07 -0.02 0.00 -0.11 0.00 0.00 41.96 41.68 2jml s TYR 42 CO 0.27 -0.31 0.82 -1.12 -1.11 0.00 0.00 175.55 174.10 2jml s SER 43 N -1.60 6.04 0.37 2.29 0.01 -1.26 -1.06 113.70 118.48 2jml s SER 43 Ca -0.12 0.85 0.05 0.00 1.31 0.00 0.00 55.95 58.04 2jml s SER 43 Cb -0.06 -2.06 0.72 0.00 0.21 0.00 0.00 66.02 64.84 2jml s SER 43 CO -0.00 -0.74 1.98 -0.09 0.41 0.00 0.00 173.24 174.80 2jml h ARG 44 N 0.10 0.59 -0.36 12.44 9.65 -1.98 -2.71 114.38 132.10 2jml h ARG 44 Ca -0.46 -0.07 0.03 0.00 -1.10 0.00 0.00 59.98 58.38 2jml h ARG 44 Cb 1.22 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 29.65 2jml h ARG 44 CO 0.61 0.47 0.16 1.05 2.80 0.00 0.00 179.97 185.06 2jml h GLU 45 N 0.59 0.33 -0.25 0.20 4.11 -1.96 0.27 114.58 117.87 2jml h GLU 45 Ca 0.15 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.55 2jml h GLU 45 Cb 0.08 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2jml h GLU 45 CO -0.02 0.22 0.13 0.93 0.07 0.00 0.00 179.01 180.34 2jml h GLU 46 N 0.34 0.36 -0.63 1.06 4.39 -1.92 -2.20 114.58 115.98 2jml h GLU 46 Ca 0.16 -0.05 0.05 0.00 0.34 0.00 0.00 59.36 59.86 2jml h GLU 46 Cb 0.09 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.62 2jml h GLU 46 CO -0.13 0.33 0.36 0.28 -1.16 0.00 0.00 179.01 178.69 2jml h VAL 47 N 0.29 1.00 0.11 3.13 2.07 -1.16 0.16 116.25 121.85 2jml h VAL 47 Ca 0.09 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.40 2jml h VAL 47 Cb 0.09 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.07 2jml h VAL 47 CO -0.01 0.12 -0.36 -0.08 0.02 0.00 0.00 177.57 177.26 2jml h GLU 48 N 0.68 -0.56 0.38 1.57 4.57 -0.27 0.24 114.58 121.19 2jml h GLU 48 Ca 0.27 0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.49 2jml h GLU 48 Cb 0.12 0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 2jml h GLU 48 CO -0.15 -0.38 -0.38 0.00 -1.18 0.00 0.00 179.01 176.92 2jml h ALA 49 N 0.00 -0.83 -0.36 2.92 0.00 -1.19 -2.32 119.26 117.48 2jml h ALA 49 Ca 0.03 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.88 2jml h ALA 49 Cb 0.62 0.55 -0.07 0.00 0.00 0.00 0.00 17.79 18.90 2jml h ALA 49 CO -0.22 -1.00 -0.12 0.28 0.00 0.00 0.00 179.25 178.19 2jml h VAL 50 N -0.78 0.58 -0.77 0.00 2.07 -0.42 0.24 116.25 117.16 2jml h VAL 50 Ca -0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 2jml h VAL 50 Cb 0.70 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 2jml h VAL 50 CO -0.07 0.00 0.45 -0.09 0.02 0.00 0.00 177.57 177.88 2jml h ARG 51 N -0.04 1.06 0.52 1.57 1.12 -0.51 0.22 114.38 118.31 2jml h ARG 51 Ca 0.18 -0.10 -0.03 0.00 -1.11 0.00 0.00 59.98 58.92 2jml h ARG 51 Cb 0.31 -0.22 0.01 0.00 -0.01 0.00 0.00 29.97 30.05 2jml h ARG 51 CO -0.39 0.76 -0.25 -0.09 -3.11 0.00 0.00 179.97 176.88 2jml h ARG 52 N 1.07 -0.67 -0.42 0.20 2.43 -0.75 -2.55 114.38 113.68 2jml h ARG 52 Ca 0.28 0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.58 2jml h ARG 52 Cb -0.01 0.15 -0.09 0.00 -0.42 0.00 0.00 29.97 29.59 2jml h ARG 52 CO -0.05 -0.37 -0.27 0.28 -1.51 0.00 0.00 179.97 178.06 2jml h VAL 53 N -0.95 0.30 -0.85 0.20 2.07 -0.22 0.62 116.25 117.41 2jml h VAL 53 Ca -0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2jml h VAL 53 Cb 0.61 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 2jml h VAL 53 CO 0.12 0.00 0.54 0.00 0.02 0.00 0.00 177.57 178.24 2jml h ALA 54 N 0.97 1.34 -0.37 1.67 0.00 -0.68 0.20 119.26 122.39 2jml h ALA 54 Ca 0.19 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.86 2jml h ALA 54 Cb 0.50 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2jml h ALA 54 CO -0.53 0.59 -0.41 -0.09 0.00 0.00 0.00 179.25 178.80 2jml h ARG 55 N 1.17 0.93 -0.45 0.00 2.43 -0.86 -2.60 114.38 115.00 2jml h ARG 55 Ca 0.31 -0.51 -0.04 0.00 -0.81 0.00 0.00 59.98 58.93 2jml h ARG 55 Cb -0.09 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 2jml h ARG 55 CO -0.06 1.16 0.09 -0.07 -1.51 0.00 0.00 179.97 179.58 2jml h LEU 56 N 0.75 0.63 -1.63 3.80 3.38 -0.54 -2.32 115.31 119.38 2jml h LEU 56 Ca 0.05 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2jml h LEU 56 Cb 1.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 2jml h LEU 56 CO 0.10 0.64 0.20 0.40 0.09 0.00 0.00 178.44 179.87 2jml h ILE 57 N 0.66 1.10 0.00 1.22 2.04 -0.50 -0.69 117.51 121.33 2jml h ILE 57 Ca 0.15 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.79 2jml h ILE 57 Cb 0.27 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 2jml h ILE 57 CO -0.00 0.10 0.00 0.00 0.00 0.00 0.00 178.15 178.25 2jml n GLN 58 N -4.47 0.12 -0.02 2.37 1.13 -0.87 -1.53 117.38 114.10 2jml n GLN 58 Ca 0.02 0.54 -0.18 0.00 -1.94 0.00 0.00 57.00 55.44 2jml n GLN 58 Cb 0.08 -1.84 -0.14 0.00 0.11 0.00 0.00 30.24 28.45 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 -2.09 0.72 0.00 -1.09 1.02 -0.27 -4.91 120.64 114.02 2jml n GLU 59 Ca 0.00 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 2jml n GLU 59 Cb 0.09 -1.69 0.00 0.00 -0.02 0.00 0.00 31.44 29.82 2jml n GLU 59 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2jml n GLU 60 N -3.33 0.00 0.00 3.49 1.02 -1.15 -5.06 120.64 115.61 2jml n GLU 60 Ca -0.31 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.83 2jml n GLU 60 Cb 1.05 -0.35 0.00 0.00 -0.02 0.00 0.00 31.44 32.11 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 0.54 3.25 0.41 0.62 0.00 -0.58 -4.91 105.19 104.51 2jml n GLY 61 Ca 0.00 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.27 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 0.42 -1.11 0.99 5.85 -1.90 0.12 115.31 119.68 2jml h LEU 62 Ca 0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 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 0.15 -1.20 -0.34 0.00 0.00 178.44 177.08 2jml n SER 63 N -4.67 0.43 0.01 1.25 7.64 -1.26 -0.80 113.62 116.22 2jml n SER 63 Ca 0.28 0.65 -0.13 0.00 1.01 0.00 0.00 58.87 60.68 2jml n SER 63 Cb 0.97 -0.66 -0.06 0.00 -1.01 0.00 0.00 64.21 63.45 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 0.14 0.14 0.44 2.07 -1.27 -1.20 116.25 116.57 2jml h VAL 64 Ca 0.00 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.23 2jml h VAL 64 Cb 0.30 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2jml h VAL 64 CO 0.00 0.00 -1.43 -1.28 0.02 0.00 0.00 177.57 174.88 2jml h SER 65 N -0.51 0.47 0.08 0.57 0.87 -1.27 -3.33 113.55 110.42 2jml h SER 65 Ca 0.07 -0.89 -0.00 0.00 -1.23 0.00 0.00 61.79 59.74 2jml h SER 65 Cb 0.63 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 2jml h SER 65 CO -0.39 1.64 -0.04 -0.08 -0.53 0.00 0.00 176.83 177.43 2jml h GLU 66 N -0.19 -0.10 0.00 2.24 4.57 -1.01 -0.04 114.58 120.05 2jml h GLU 66 Ca -0.29 0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 57.80 2jml h GLU 66 Cb 1.85 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 30.45 2jml h GLU 66 CO 0.11 0.22 -0.42 0.00 -1.18 0.00 0.00 179.01 177.73 2jml h ALA 67 N 0.46 0.82 0.11 2.92 0.00 -1.44 0.22 119.26 122.35 2jml h ALA 67 Ca -0.01 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2jml h ALA 67 Cb 0.37 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2jml h ALA 67 CO 0.02 0.53 -0.05 0.82 0.00 0.00 0.00 179.25 180.57 2jml h ILE 68 N 0.00 1.02 -0.70 0.00 2.04 -1.60 0.13 117.51 118.40 2jml h ILE 68 Ca -0.00 -0.47 0.06 0.00 1.00 0.00 0.00 64.86 65.45 2jml h ILE 68 Cb 1.14 1.32 -0.06 0.00 -0.74 0.00 0.00 36.82 38.48 2jml h ILE 68 CO 0.06 0.12 0.40 0.00 0.00 0.00 0.00 178.15 178.72 2jml h ALA 69 N 0.51 0.95 0.35 1.87 0.00 -0.68 -0.25 119.26 122.01 2jml h ALA 69 Ca -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2jml h ALA 69 Cb 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 2jml h ALA 69 CO 0.02 0.07 -0.31 1.96 0.00 0.00 0.00 179.25 181.00 2jml h GLN 70 N 0.72 -0.62 0.00 0.00 4.20 -0.55 0.55 115.11 119.41 2jml h GLN 70 Ca 0.32 0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.06 2jml h GLN 70 Cb 0.21 0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 2jml h GLN 70 CO -0.19 -0.42 -0.04 -0.24 -0.67 0.00 0.00 178.83 177.28 2jml h VAL 71 N -0.65 0.55 0.01 -0.54 3.04 -0.75 0.33 116.25 118.24 2jml h VAL 71 Ca -0.04 -0.17 -0.20 0.00 -1.01 0.00 0.00 66.70 65.27 2jml h VAL 71 Cb 0.55 1.11 -0.01 0.00 -2.01 0.00 0.00 31.29 30.93 2jml h VAL 71 CO -0.02 0.04 -0.91 0.11 -1.01 0.00 0.00 177.57 175.78 2jml h LYS 72 N 0.00 0.21 0.00 4.17 1.79 -0.94 -3.36 116.57 118.44 2jml h LYS 72 Ca -0.00 -0.24 -0.10 0.00 -2.18 0.00 0.00 60.65 58.13 2jml h LYS 72 Cb 0.10 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 2jml h LYS 72 CO 0.00 0.98 -1.44 -2.37 -1.08 0.00 0.00 179.45 175.55 2jml n THR 73 N -3.65 0.81 -1.16 -0.16 5.66 0.18 -4.93 114.28 111.02 2jml n THR 73 Ca -0.04 -0.62 -0.32 0.00 -3.05 0.00 0.00 64.05 60.02 2jml n THR 73 Cb 0.83 -0.46 0.11 0.00 -1.55 0.00 0.00 70.33 69.26 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 -3.15 1.91 0.13 1.09 2.02 0.99 -5.01 118.70 116.69 2jml s GLU 74 Ca -0.03 1.38 -0.31 0.00 0.02 0.00 0.00 54.97 56.03 2jml s GLU 74 Cb 0.10 -1.84 -0.08 0.00 0.10 0.00 0.00 34.13 32.41 2jml s GLU 74 CO 0.82 -1.93 1.31 -1.25 0.02 0.00 0.00 175.26 174.22 2jml s PRO 75 N -4.63 4.38 0.67 0.39 0.04 -1.26 -4.95 135.00 129.64 2jml s PRO 75 Ca 0.65 1.98 -0.14 0.00 0.04 0.00 0.00 61.00 63.53 2jml s PRO 75 Cb -0.21 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.08 2jml s PRO 75 CO 0.54 -0.31 1.09 -1.25 0.04 0.00 0.00 177.00 177.11 2jml s PRO 76 N 0.65 2.82 -0.29 0.56 0.04 -1.26 -5.06 135.00 132.45 2jml s PRO 76 Ca 0.60 1.28 0.01 0.00 0.04 0.00 0.00 61.00 62.93 2jml s PRO 76 Cb -0.35 -1.96 0.15 0.00 0.04 0.00 0.00 34.50 32.38 2jml s PRO 76 CO 0.33 -1.22 0.37 0.50 0.04 0.00 0.00 177.00 177.02 2jml s ARG 77 N -4.31 0.40 0.00 4.56 3.52 -1.26 -5.29 118.95 116.57 2jml s ARG 77 Ca 0.64 -0.00 0.20 0.00 -0.13 0.00 0.00 55.73 56.44 2jml s ARG 77 Cb -0.18 -0.43 1.19 0.00 -1.56 0.00 0.00 34.95 33.96 2jml s ARG 77 CO 0.44 -1.04 1.57 0.39 -0.81 0.00 0.00 175.30 175.85