#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 -4.77 1.61 7.64 -1.26 -5.19 113.62 111.65 2jml n SER -1 Ca 0.00 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 2jml n SER -1 Cb 0.00 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.30 2jml n SER -1 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2jml s HIS 0 N 0.23 2.63 0.32 1.43 4.02 -1.26 -5.11 115.29 117.56 2jml s HIS 0 Ca 0.00 1.32 0.08 0.00 1.02 0.00 0.00 55.06 57.48 2jml s HIS 0 Cb 0.00 -3.08 -0.06 0.00 -1.02 0.00 0.00 32.58 28.41 2jml s HIS 0 CO 0.00 -1.92 -0.07 -1.64 1.02 0.00 0.00 174.74 172.13 2jml s MET 1 N -5.00 1.70 0.08 1.40 1.00 -1.26 -5.19 119.30 112.03 2jml s MET 1 Ca 0.61 -1.88 -0.11 0.00 0.00 0.00 0.00 55.69 54.32 2jml s MET 1 Cb -0.16 -1.42 0.01 0.00 0.00 0.00 0.00 34.83 33.25 2jml s MET 1 CO 0.56 0.07 0.24 0.95 0.00 0.00 0.00 175.02 176.84 2jml s THR 2 N -2.82 0.12 0.17 2.05 -4.23 -1.26 -5.02 115.64 104.65 2jml s THR 2 Ca 0.31 -0.95 0.10 0.00 -1.18 0.00 0.00 61.69 59.97 2jml s THR 2 Cb 0.04 -1.16 -0.04 0.00 1.34 0.00 0.00 72.50 72.68 2jml s THR 2 CO 0.14 -0.52 -0.21 -0.76 -0.54 0.00 0.00 174.62 172.73 2jml s LEU 3 N -2.55 2.42 0.36 4.79 2.01 -1.18 -5.01 118.68 119.53 2jml s LEU 3 Ca 0.01 -0.85 0.08 0.00 0.01 0.00 0.00 54.13 53.38 2jml s LEU 3 Cb 0.02 -1.00 -0.03 0.00 0.01 0.00 0.00 46.19 45.19 2jml s LEU 3 CO -0.08 0.05 0.30 -0.13 1.01 0.00 0.00 176.35 177.50 2jml s ARG 4 N -2.65 2.61 0.23 1.70 0.52 -1.26 -0.40 118.95 119.71 2jml s ARG 4 Ca 0.17 -1.41 -0.08 0.00 -0.52 0.00 0.00 55.73 53.89 2jml s ARG 4 Cb -0.07 -2.40 0.38 0.00 0.52 0.00 0.00 34.95 33.38 2jml s ARG 4 CO 0.08 0.00 1.66 0.97 0.02 0.00 0.00 175.30 178.03 2jml h ILE 5 N 1.21 0.46 -0.96 1.52 -0.00 -1.94 0.62 117.51 118.42 2jml h ILE 5 Ca -0.43 -0.06 0.20 0.00 -0.00 0.00 0.00 64.86 64.57 2jml h ILE 5 Cb 1.26 0.29 -0.11 0.00 -0.00 0.00 0.00 36.82 38.25 2jml h ILE 5 CO 0.59 0.03 0.55 -0.09 -0.00 0.00 0.00 178.15 179.23 2jml h ARG 6 N 0.16 0.63 -0.17 2.19 9.65 -1.96 0.12 114.38 125.01 2jml h ARG 6 Ca 0.37 -0.04 -0.17 0.00 -1.10 0.00 0.00 59.98 59.04 2jml h ARG 6 Cb 0.63 -0.14 0.01 0.00 -1.39 0.00 0.00 29.97 29.07 2jml h ARG 6 CO -0.55 0.42 -0.57 1.15 2.80 0.00 0.00 179.97 183.22 2jml h THR 7 N 0.65 1.32 -0.26 0.20 2.02 -1.28 -0.22 112.91 115.34 2jml h THR 7 Ca 0.57 -1.81 -0.01 0.00 0.77 0.00 0.00 66.41 65.94 2jml h THR 7 Cb 0.95 1.97 -0.01 0.00 -1.74 0.00 0.00 68.15 69.32 2jml h THR 7 CO -0.42 0.56 0.14 0.40 0.37 0.00 0.00 175.52 176.57 2jml h ILE 8 N 0.37 1.13 -0.64 3.11 2.04 -0.87 -3.00 117.51 119.65 2jml h ILE 8 Ca -0.02 -0.35 0.06 0.00 1.00 0.00 0.00 64.86 65.54 2jml h ILE 8 Cb 1.19 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 38.10 2jml h ILE 8 CO 0.12 0.13 0.36 0.00 0.00 0.00 0.00 178.15 178.75 2jml h ALA 9 N 1.01 0.86 0.00 1.87 0.00 -0.77 -2.64 119.26 119.59 2jml h ALA 9 Ca 0.09 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2jml h ALA 9 Cb 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2jml h ALA 9 CO -0.01 0.04 0.33 0.00 0.00 0.00 0.00 179.25 179.60 2jml h ARG 10 N 0.67 0.00 -0.92 0.00 3.08 -0.88 0.23 114.38 116.57 2jml h ARG 10 Ca 0.29 0.00 0.20 0.00 0.07 0.00 0.00 59.98 60.54 2jml h ARG 10 Cb 0.17 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.15 2jml h ARG 10 CO -0.17 0.00 0.60 0.52 -1.07 0.00 0.00 179.97 179.85 2jml h MET 11 N 0.00 0.44 0.00 0.04 2.86 -1.53 -3.39 114.93 113.35 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 0.67 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.23 2jml h MET 11 CO 0.00 0.29 0.00 0.25 1.06 0.00 0.00 176.91 178.51 2jml n THR 12 N -4.54 0.00 0.00 2.22 -2.24 -0.15 -5.06 114.28 104.51 2jml n THR 12 Ca 0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 2jml n THR 12 Cb 0.68 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 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 0.88 0.33 3.38 0.00 0.64 -4.53 105.19 105.88 2jml n GLY 13 Ca 0.00 -0.01 0.21 0.00 0.00 0.00 0.00 46.02 46.22 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 0.04 0.00 -0.61 -2.65 -1.98 0.33 117.51 112.65 2jml h ILE 14 Ca 0.00 -0.09 0.00 0.00 1.03 0.00 0.00 64.86 65.80 2jml h ILE 14 Cb 0.00 1.09 0.00 0.00 -2.05 0.00 0.00 36.82 35.86 2jml h ILE 14 CO 0.00 0.00 0.00 0.03 0.03 0.00 0.00 178.15 178.21 2jml h ARG 15 N 0.00 0.00 -0.77 0.16 -0.00 -1.82 -3.26 114.38 108.69 2jml h ARG 15 Ca -0.00 0.00 0.06 0.00 -0.50 0.00 0.00 59.98 59.54 2jml h ARG 15 Cb 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 29.97 30.00 2jml h ARG 15 CO 0.00 0.00 0.46 1.49 0.00 0.00 0.00 179.97 181.92 2jml h GLU 16 N 0.00 0.81 -0.05 0.04 4.81 -1.19 0.14 114.58 119.14 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 0.26 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 2jml h GLU 16 CO 0.00 0.54 0.04 0.00 -0.73 0.00 0.00 179.01 178.86 2jml h ALA 17 N 1.38 1.99 0.15 2.92 0.00 -1.79 -1.41 119.26 122.51 2jml h ALA 17 Ca 0.34 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.90 2jml h ALA 17 Cb 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2jml h ALA 17 CO -0.18 -0.07 -1.79 0.00 0.00 0.00 0.00 179.25 177.21 2jml h THR 18 N 0.00 0.83 0.36 0.00 1.03 -1.17 -3.20 112.91 110.76 2jml h THR 18 Ca 0.03 -2.43 -0.02 0.00 -0.01 0.00 0.00 66.41 63.98 2jml h THR 18 Cb 0.11 2.66 0.00 0.00 -1.07 0.00 0.00 68.15 69.85 2jml h THR 18 CO -0.00 0.85 -0.17 -0.07 -0.01 0.00 0.00 175.52 176.12 2jml h LEU 19 N 0.03 -0.41 -1.99 0.00 3.38 -0.60 0.20 115.31 115.93 2jml h LEU 19 Ca -0.37 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.59 2jml h LEU 19 Cb 2.02 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.88 2jml h LEU 19 CO 0.13 -0.28 -0.06 0.08 0.09 0.00 0.00 178.44 178.40 2jml h ARG 20 N -0.49 0.00 0.07 1.13 -0.00 -1.46 -2.00 114.38 111.62 2jml h ARG 20 Ca -0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.93 2jml h ARG 20 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.35 2jml h ARG 20 CO 0.08 0.06 -0.03 0.00 -0.00 0.00 0.00 179.97 180.07 2jml h ALA 21 N 1.94 -0.10 -0.72 0.08 0.00 -1.44 -3.32 119.26 115.70 2jml h ALA 21 Ca -0.00 -0.28 0.17 0.00 0.00 0.00 0.00 54.91 54.81 2jml h ALA 21 Cb 0.11 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2jml h ALA 21 CO 0.01 -0.24 0.49 -1.49 0.00 0.00 0.00 179.25 178.02 2jml h TRP 22 N -0.73 0.27 -0.87 0.00 6.55 -0.14 0.13 115.95 121.18 2jml h TRP 22 Ca -0.01 0.01 0.23 0.00 0.95 0.00 0.00 58.89 60.06 2jml h TRP 22 Cb 0.58 -0.09 -0.14 0.00 -0.86 0.00 0.00 29.16 28.66 2jml h TRP 22 CO 0.12 0.10 0.24 1.49 -1.05 0.00 0.00 178.44 179.34 2jml h GLU 23 N 0.23 0.22 0.00 0.49 4.22 -1.48 0.25 114.58 118.51 2jml h GLU 23 Ca 0.35 -0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.75 2jml h GLU 23 Cb 1.05 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 2jml h GLU 23 CO -0.07 0.15 -1.85 -2.13 -2.18 0.00 0.00 179.01 172.92 2jml n ARG 24 N -5.21 0.65 0.02 1.92 0.63 0.01 -3.79 116.66 110.89 2jml n ARG 24 Ca 0.21 -0.13 -0.01 0.00 -0.92 0.00 0.00 57.85 57.00 2jml n ARG 24 Cb 0.66 -1.58 -0.09 0.00 0.45 0.00 0.00 32.46 31.90 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 -2.37 0.63 0.00 -0.14 0.63 0.26 -4.78 116.66 110.88 2jml n ARG 25 Ca -0.05 0.21 0.00 0.00 -0.92 0.00 0.00 57.85 57.08 2jml n ARG 25 Cb 0.61 -1.78 0.00 0.00 0.45 0.00 0.00 32.46 31.73 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 -2.87 0.00 -0.34 -0.14 4.01 0.32 -4.99 117.16 113.15 2jml n TYR 26 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.63 2jml n TYR 26 Cb 0.86 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.89 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 0.19 0.82 3.28 2.72 0.00 0.60 -5.02 105.19 107.78 2jml n GLY 27 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.06 2.47 0.61 1.61 2.19 -1.25 -2.93 117.98 118.62 2jml s PHE 28 Ca 0.00 -0.69 -0.18 0.00 0.33 0.00 0.00 56.93 56.39 2jml s PHE 28 Cb 0.00 -1.61 -0.03 0.00 -1.31 0.00 0.00 43.02 40.07 2jml s PHE 28 CO 0.00 -0.20 1.17 -1.25 1.83 0.00 0.00 175.22 176.78 2jml s PRO 29 N -0.17 2.93 -0.43 10.12 0.04 -1.26 -4.35 135.00 141.88 2jml s PRO 29 Ca -0.03 1.70 -0.20 0.00 0.04 0.00 0.00 61.00 62.51 2jml s PRO 29 Cb -0.14 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.49 2jml s PRO 29 CO 0.04 -1.21 0.61 0.50 0.04 0.00 0.00 177.00 176.97 2jml s ARG 30 N -3.51 3.29 -0.59 4.56 3.52 -1.15 -4.72 118.95 120.36 2jml s ARG 30 Ca 0.74 -0.39 -0.27 0.00 -0.13 0.00 0.00 55.73 55.69 2jml s ARG 30 Cb -0.27 -3.94 -0.03 0.00 -1.56 0.00 0.00 34.95 29.16 2jml s ARG 30 CO 0.34 -0.95 1.91 -1.25 -0.81 0.00 0.00 175.30 174.55 2jml s PRO 31 N 2.69 2.60 0.41 5.12 0.04 -1.26 -4.87 135.00 139.73 2jml s PRO 31 Ca 0.21 0.73 -0.27 0.00 0.04 0.00 0.00 61.00 61.71 2jml s PRO 31 Cb -0.15 -4.40 -0.10 0.00 0.04 0.00 0.00 34.50 29.90 2jml s PRO 31 CO 0.18 -2.75 1.43 -0.48 0.04 0.00 0.00 177.00 175.42 2jml s LEU 32 N 9.30 4.23 1.07 -3.56 2.34 -0.99 -4.84 118.68 126.23 2jml s LEU 32 Ca 0.71 2.93 -0.12 0.00 0.06 0.00 0.00 54.13 57.71 2jml s LEU 32 Cb -0.13 -3.80 0.23 0.00 -0.56 0.00 0.00 46.19 41.93 2jml s LEU 32 CO 0.22 -0.96 1.07 0.00 -1.06 0.00 0.00 176.35 175.61 2jml s ARG 33 N -2.23 -0.17 0.00 1.48 1.70 -1.26 -3.90 118.95 114.57 2jml s ARG 33 Ca 0.56 1.03 0.00 0.00 -0.47 0.00 0.00 55.73 56.85 2jml s ARG 33 Cb -0.44 -1.63 0.00 0.00 -0.57 0.00 0.00 34.95 32.31 2jml s ARG 33 CO 0.58 -3.27 0.00 0.43 -1.08 0.00 0.00 175.30 171.96 2jml n SER 34 N -4.62 0.16 0.00 -2.89 7.64 -1.26 -4.95 113.62 107.70 2jml n SER 34 Ca 0.06 -0.69 0.00 0.00 1.01 0.00 0.00 58.87 59.25 2jml n SER 34 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 2jml n SER 34 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2jml n GLU 35 N 0.00 0.00 0.01 1.43 -0.00 -1.26 -5.10 120.64 115.71 2jml n GLU 35 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 2jml n GLU 35 Cb 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 31.44 31.10 2jml n GLU 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2jml n GLY 36 N 2.60 -0.65 0.12 -1.84 0.00 -1.26 -4.97 105.19 99.20 2jml n GLY 36 Ca 0.00 0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 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 0.59 -2.33 1.61 2.35 -2.07 -3.43 115.58 112.30 2jml h ASN 37 Ca 0.00 -0.63 -0.58 0.00 -0.55 0.00 0.00 56.30 54.54 2jml h ASN 37 Cb 0.00 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 2jml h ASN 37 CO 0.00 1.49 1.38 0.21 -1.65 0.00 0.00 177.43 178.87 2jml s ASN 38 N -7.31 5.64 1.19 5.81 3.84 -1.26 -5.00 114.94 117.85 2jml s ASN 38 Ca -0.06 1.53 -0.14 0.00 0.21 0.00 0.00 52.86 54.41 2jml s ASN 38 Cb 0.06 -2.52 0.29 0.00 -0.55 0.00 0.00 41.25 38.53 2jml s ASN 38 CO 0.91 -1.87 1.02 -0.31 -2.79 0.00 0.00 177.10 174.06 2jml s TYR 39 N 7.72 1.25 0.16 0.43 2.02 -1.26 -4.50 117.35 123.17 2jml s TYR 39 Ca 0.89 1.08 -0.33 0.00 -0.37 0.00 0.00 57.07 58.34 2jml s TYR 39 Cb -0.27 -3.09 -0.13 0.00 -0.40 0.00 0.00 41.96 38.08 2jml s TYR 39 CO 0.34 -3.95 1.68 0.54 -1.57 0.00 0.00 175.55 172.59 2jml n ARG 40 N -4.96 2.48 -4.41 -0.62 5.12 -1.26 -4.88 116.66 108.12 2jml n ARG 40 Ca 0.03 0.90 -0.22 0.00 -1.93 0.00 0.00 57.85 56.63 2jml n ARG 40 Cb 0.55 -2.72 -0.08 0.00 -1.16 0.00 0.00 32.46 29.05 2jml n ARG 40 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 2jml s VAL 41 N 1.39 0.40 0.06 1.55 -7.23 -1.25 -4.43 120.40 110.89 2jml s VAL 41 Ca 0.78 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 59.00 2jml s VAL 41 Cb -0.59 -2.43 -0.03 0.00 0.56 0.00 0.00 36.38 33.89 2jml s VAL 41 CO 0.36 0.00 -0.13 -0.31 -0.31 0.00 0.00 175.10 174.72 2jml s TYR 42 N -3.37 1.08 0.56 2.82 2.02 0.47 -2.36 117.35 118.56 2jml s TYR 42 Ca 0.31 -0.46 -0.14 0.00 -0.37 0.00 0.00 57.07 56.40 2jml s TYR 42 Cb 0.03 -0.61 -0.06 0.00 -0.40 0.00 0.00 41.96 40.92 2jml s TYR 42 CO 0.18 0.02 1.00 -1.54 -1.57 0.00 0.00 175.55 173.65 2jml s SER 43 N -1.67 6.46 0.32 2.29 1.04 -1.26 -3.10 113.70 117.77 2jml s SER 43 Ca -0.04 1.50 0.00 0.00 0.48 0.00 0.00 55.95 57.90 2jml s SER 43 Cb -0.10 -2.49 0.52 0.00 0.10 0.00 0.00 66.02 64.05 2jml s SER 43 CO 0.02 -0.70 1.93 0.08 0.98 0.00 0.00 173.24 175.55 2jml h ARG 44 N 0.41 0.86 0.02 4.02 -0.00 -1.97 0.38 114.38 118.10 2jml h ARG 44 Ca -0.46 -0.10 0.03 0.00 -0.00 0.00 0.00 59.98 59.45 2jml h ARG 44 Cb 1.19 -0.17 -0.05 0.00 -0.00 0.00 0.00 29.97 30.93 2jml h ARG 44 CO 0.62 0.65 -0.44 1.05 -0.00 0.00 0.00 179.97 181.85 2jml h GLU 45 N 0.87 -0.58 -0.30 0.08 4.11 -1.99 0.17 114.58 116.94 2jml h GLU 45 Ca 0.22 0.04 0.02 0.00 0.07 0.00 0.00 59.36 59.71 2jml h GLU 45 Cb 0.05 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 2jml h GLU 45 CO -0.03 -0.39 0.15 0.93 0.07 0.00 0.00 179.01 179.74 2jml h GLU 46 N -0.60 0.31 -0.54 1.06 4.39 -1.82 -0.65 114.58 116.73 2jml h GLU 46 Ca 0.04 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.76 2jml h GLU 46 Cb 0.67 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 29.21 2jml h GLU 46 CO -0.31 0.20 0.30 0.28 -1.16 0.00 0.00 179.01 178.32 2jml h VAL 47 N 0.32 1.00 0.47 3.13 2.07 -0.77 0.22 116.25 122.68 2jml h VAL 47 Ca 0.12 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 2jml h VAL 47 Cb 0.04 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 2jml h VAL 47 CO -0.08 0.10 -0.24 -0.08 0.02 0.00 0.00 177.57 177.29 2jml h GLU 48 N 0.58 -0.62 -0.10 1.57 4.81 -0.42 0.23 114.58 120.62 2jml h GLU 48 Ca 0.23 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.54 2jml h GLU 48 Cb 0.09 0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.56 2jml h GLU 48 CO -0.13 -0.42 -0.28 0.00 -0.73 0.00 0.00 179.01 177.45 2jml h ALA 49 N -0.12 -0.32 -0.61 2.92 0.00 -0.92 -1.48 119.26 118.74 2jml h ALA 49 Ca -0.06 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2jml h ALA 49 Cb 0.51 0.53 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 2jml h ALA 49 CO 0.09 -0.76 0.32 0.28 0.00 0.00 0.00 179.25 179.19 2jml h VAL 50 N -0.37 1.20 -0.79 0.00 2.07 -0.53 0.10 116.25 117.94 2jml h VAL 50 Ca 0.09 -0.52 0.07 0.00 0.82 0.00 0.00 66.70 67.16 2jml h VAL 50 Cb 0.51 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 2jml h VAL 50 CO -0.31 0.22 0.47 -0.09 0.02 0.00 0.00 177.57 177.88 2jml h ARG 51 N 0.82 0.82 0.92 1.57 1.12 -0.27 0.43 114.38 119.79 2jml h ARG 51 Ca 0.21 -0.05 -0.04 0.00 -1.11 0.00 0.00 59.98 58.99 2jml h ARG 51 Cb 0.06 -0.18 0.01 0.00 -0.01 0.00 0.00 29.97 29.85 2jml h ARG 51 CO -0.03 0.54 -0.45 0.00 -3.11 0.00 0.00 179.97 176.91 2jml h ARG 52 N 0.84 -1.21 -0.26 0.20 3.08 -0.85 -2.67 114.38 113.51 2jml h ARG 52 Ca 0.35 0.08 0.06 0.00 0.07 0.00 0.00 59.98 60.55 2jml h ARG 52 Cb 0.21 0.27 -0.08 0.00 0.08 0.00 0.00 29.97 30.46 2jml h ARG 52 CO -0.19 -0.81 -0.30 0.28 -1.07 0.00 0.00 179.97 177.88 2jml h VAL 53 N -1.25 0.29 -0.72 2.04 2.07 -0.26 0.25 116.25 118.67 2jml h VAL 53 Ca -0.13 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.51 2jml h VAL 53 Cb 0.96 0.29 -0.08 0.00 -1.52 0.00 0.00 31.29 30.94 2jml h VAL 53 CO 0.20 0.00 0.32 0.00 0.02 0.00 0.00 177.57 178.11 2jml h ALA 54 N 0.65 1.00 -0.43 1.67 0.00 -0.27 0.22 119.26 122.10 2jml h ALA 54 Ca 0.14 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 2jml h ALA 54 Cb 0.52 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2jml h ALA 54 CO -0.43 -0.13 -0.12 -0.09 0.00 0.00 0.00 179.25 178.47 2jml h ARG 55 N 0.51 0.84 -0.95 0.00 2.43 -1.03 -2.88 114.38 113.29 2jml h ARG 55 Ca 0.37 -0.33 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 2jml h ARG 55 Cb 0.48 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.94 2jml h ARG 55 CO -0.33 0.96 0.63 1.25 -1.51 0.00 0.00 179.97 180.97 2jml h LEU 56 N 0.66 1.07 -1.89 3.80 7.12 -0.10 -1.74 115.31 124.23 2jml h LEU 56 Ca 0.11 -0.02 0.05 0.00 0.13 0.00 0.00 57.88 58.15 2jml h LEU 56 Cb 0.66 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 40.52 2jml h LEU 56 CO 0.05 0.75 0.19 0.40 -0.13 0.00 0.00 178.44 179.70 2jml h ILE 57 N 1.25 0.93 0.00 4.05 5.03 -0.48 -0.87 117.51 127.42 2jml h ILE 57 Ca 0.37 -0.05 0.00 0.00 -0.12 0.00 0.00 64.86 65.06 2jml h ILE 57 Cb -0.07 0.78 0.00 0.00 -3.03 0.00 0.00 36.82 34.51 2jml h ILE 57 CO -0.10 0.03 0.00 1.56 -0.68 0.00 0.00 178.15 178.96 2jml h GLN 58 N 0.14 0.00 0.06 2.37 1.08 -1.09 -1.87 115.11 115.79 2jml h GLN 58 Ca 0.12 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 57.04 2jml h GLN 58 Cb 0.32 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.73 2jml h GLN 58 CO -0.02 0.00 -1.53 0.93 -0.95 0.00 0.00 178.83 177.26 2jml h GLU 59 N 0.00 0.12 0.00 1.46 5.08 -1.22 -3.46 114.58 116.55 2jml h GLU 59 Ca 0.00 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2jml h GLU 59 Cb 0.22 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2jml h GLU 59 CO 0.00 0.89 0.00 0.39 -1.00 0.00 0.00 179.01 179.29 2jml n GLU 60 N -3.30 0.00 0.00 2.33 1.02 -1.14 -5.06 120.64 114.49 2jml n GLU 60 Ca -0.15 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.99 2jml n GLU 60 Cb 1.03 -0.08 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 -0.10 2.59 0.41 0.62 0.00 -0.72 -4.92 105.19 103.07 2jml n GLY 61 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.23 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 0.32 0.00 0.99 5.85 -1.92 -1.09 115.31 119.47 2jml h LEU 62 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2jml h LEU 62 Cb 0.00 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.01 2jml h LEU 62 CO 0.00 0.13 0.11 -1.20 -0.34 0.00 0.00 178.44 177.14 2jml n SER 63 N -4.47 0.00 0.00 1.25 7.64 -1.26 -1.76 113.62 115.02 2jml n SER 63 Ca 0.19 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.35 2jml n SER 63 Cb 0.74 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 2jml n SER 63 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2jml n VAL 64 N -1.25 0.00 -0.16 0.44 0.31 -0.41 -1.42 118.33 115.83 2jml n VAL 64 Ca 0.00 1.10 -0.10 0.00 -0.01 0.00 0.00 64.34 65.33 2jml n VAL 64 Cb 0.11 -1.93 0.02 0.00 -0.91 0.00 0.00 33.84 31.13 2jml n VAL 64 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2jml h SER 65 N 0.00 1.00 0.68 4.52 0.87 -1.62 -2.38 113.55 116.62 2jml h SER 65 Ca 0.00 -0.35 -0.03 0.00 -1.23 0.00 0.00 61.79 60.18 2jml h SER 65 Cb 0.00 -0.27 0.01 0.00 -0.44 0.00 0.00 62.40 61.69 2jml h SER 65 CO 0.00 1.14 -0.33 -0.33 -0.53 0.00 0.00 176.83 176.78 2jml h GLU 66 N 0.86 -0.89 0.00 2.24 4.39 -1.49 0.53 114.58 120.23 2jml h GLU 66 Ca 0.12 0.06 -0.07 0.00 0.34 0.00 0.00 59.36 59.82 2jml h GLU 66 Cb 0.73 0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 2jml h GLU 66 CO 0.06 -0.59 -0.32 0.00 -1.16 0.00 0.00 179.01 177.00 2jml h ALA 67 N -1.57 1.07 0.46 3.43 0.00 -1.31 0.81 119.26 122.15 2jml h ALA 67 Ca -0.09 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 2jml h ALA 67 Cb 0.71 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2jml h ALA 67 CO 0.15 0.40 -0.22 0.82 0.00 0.00 0.00 179.25 180.40 2jml h ILE 68 N 0.00 0.54 -0.79 0.00 2.04 -1.45 -0.69 117.51 117.16 2jml h ILE 68 Ca -0.00 -0.16 0.08 0.00 1.00 0.00 0.00 64.86 65.77 2jml h ILE 68 Cb 0.78 0.62 -0.07 0.00 -0.74 0.00 0.00 36.82 37.41 2jml h ILE 68 CO 0.04 0.03 0.46 0.00 0.00 0.00 0.00 178.15 178.68 2jml h ALA 69 N -0.21 1.10 0.53 1.87 0.00 -0.24 0.15 119.26 122.47 2jml h ALA 69 Ca -0.06 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2jml h ALA 69 Cb 0.52 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2jml h ALA 69 CO 0.10 0.12 -0.43 1.96 0.00 0.00 0.00 179.25 181.01 2jml h GLN 70 N 0.80 -0.90 0.00 0.00 4.20 -0.86 -0.52 115.11 117.83 2jml h GLN 70 Ca 0.37 0.06 -0.01 0.00 0.06 0.00 0.00 58.65 59.13 2jml h GLN 70 Cb 0.28 0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 2jml h GLN 70 CO -0.21 -0.60 -0.04 -0.24 -0.67 0.00 0.00 178.83 177.07 2jml h VAL 71 N -0.93 0.13 -0.19 -0.54 3.04 -0.79 0.27 116.25 117.24 2jml h VAL 71 Ca -0.07 -0.42 -0.05 0.00 -1.01 0.00 0.00 66.70 65.15 2jml h VAL 71 Cb 0.78 1.36 -0.01 0.00 -2.01 0.00 0.00 31.29 31.42 2jml h VAL 71 CO 0.00 0.03 -0.08 0.11 -1.01 0.00 0.00 177.57 176.62 2jml h LYS 72 N 0.00 0.39 0.00 4.17 1.79 -0.57 -2.90 116.57 119.45 2jml h LYS 72 Ca -0.00 -0.17 -0.00 0.00 -2.18 0.00 0.00 60.65 58.30 2jml h LYS 72 Cb 0.36 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.99 2jml h LYS 72 CO 0.00 0.68 -0.01 0.00 -1.08 0.00 0.00 179.45 179.04 2jml h THR 73 N 0.09 0.02 -2.26 -0.16 1.03 -0.28 -3.36 112.91 108.00 2jml h THR 73 Ca 0.04 -1.03 -0.62 0.00 -0.01 0.00 0.00 66.41 64.80 2jml h THR 73 Cb 0.55 2.01 -0.41 0.00 -1.07 0.00 0.00 68.15 69.24 2jml h THR 73 CO 0.03 0.01 -0.47 -0.62 -0.01 0.00 0.00 175.52 174.46 2jml n GLU 74 N -3.10 2.76 -2.19 0.00 1.02 0.86 -5.09 120.64 114.89 2jml n GLU 74 Ca 0.04 -4.68 -0.40 0.00 -0.02 0.00 0.00 57.16 52.10 2jml n GLU 74 Cb 0.53 -2.28 -0.02 0.00 -0.02 0.00 0.00 31.44 29.65 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 -2.58 4.23 0.23 3.49 0.04 -1.10 -4.58 135.00 134.74 2jml s PRO 75 Ca 0.40 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 63.19 2jml s PRO 75 Cb 0.15 -2.92 -0.09 0.00 0.04 0.00 0.00 34.50 31.68 2jml s PRO 75 CO -0.01 -0.24 1.32 -1.25 0.04 0.00 0.00 177.00 176.87 2jml s PRO 76 N -1.98 4.37 -0.30 0.56 0.04 -1.26 -5.01 135.00 131.43 2jml s PRO 76 Ca 0.52 2.12 -0.15 0.00 0.04 0.00 0.00 61.00 63.53 2jml s PRO 76 Cb -0.36 -3.16 0.15 0.00 0.04 0.00 0.00 34.50 31.18 2jml s PRO 76 CO 0.47 -0.25 0.94 -0.98 0.04 0.00 0.00 177.00 177.22 2jml s ARG 77 N -0.50 0.36 0.00 4.56 1.70 -1.26 -5.20 118.95 118.60 2jml s ARG 77 Ca 0.55 0.80 0.20 0.00 -0.47 0.00 0.00 55.73 56.81 2jml s ARG 77 Cb -0.38 0.37 1.17 0.00 -0.57 0.00 0.00 34.95 35.54 2jml s ARG 77 CO 0.42 -0.11 1.56 0.39 -1.08 0.00 0.00 175.30 176.48