#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 -1.71 -4.12 1.61 3.41 -1.26 -5.21 113.62 106.33 2jml n SER -1 Ca 0.00 -2.10 -0.11 0.00 -0.26 0.00 0.00 58.87 56.40 2jml n SER -1 Cb 0.00 2.84 -0.09 0.00 -0.26 0.00 0.00 64.21 66.70 2jml n SER -1 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 2jml s HIS 0 N -3.24 0.86 0.19 7.33 0.00 -1.26 -5.21 115.29 113.96 2jml s HIS 0 Ca 0.15 -1.15 0.07 0.00 -3.00 0.00 0.00 55.06 51.13 2jml s HIS 0 Cb -0.03 -0.34 -0.04 0.00 -4.00 0.00 0.00 32.58 28.17 2jml s HIS 0 CO 0.08 -0.70 0.05 1.41 -1.00 0.00 0.00 174.74 174.58 2jml s MET 1 N -4.09 2.57 -0.08 -0.38 -2.45 -1.26 -5.17 119.30 108.44 2jml s MET 1 Ca 0.31 -1.07 -0.05 0.00 -1.25 0.00 0.00 55.69 53.63 2jml s MET 1 Cb 0.05 -2.43 0.04 0.00 1.25 0.00 0.00 34.83 33.73 2jml s MET 1 CO 0.08 0.45 0.20 0.95 1.05 0.00 0.00 175.02 177.76 2jml s THR 2 N -1.83 -0.03 0.25 10.11 -4.23 -1.26 -4.93 115.64 113.72 2jml s THR 2 Ca 0.29 0.11 -0.01 0.00 -1.18 0.00 0.00 61.69 60.90 2jml s THR 2 Cb -0.09 -0.31 -0.03 0.00 1.34 0.00 0.00 72.50 73.41 2jml s THR 2 CO 0.21 0.05 0.26 -0.76 -0.54 0.00 0.00 174.62 173.83 2jml s LEU 3 N 0.89 1.14 0.32 4.79 1.02 -1.25 -5.02 118.68 120.57 2jml s LEU 3 Ca -0.06 -1.41 0.09 0.00 0.02 0.00 0.00 54.13 52.77 2jml s LEU 3 Cb -0.08 0.77 -0.05 0.00 0.02 0.00 0.00 46.19 46.85 2jml s LEU 3 CO -0.05 -0.99 -0.01 0.00 0.02 0.00 0.00 176.35 175.32 2jml s ARG 4 N -3.84 2.09 0.38 1.70 3.03 -1.26 -0.40 118.95 120.65 2jml s ARG 4 Ca 0.36 -1.69 0.11 0.00 2.03 0.00 0.00 55.73 56.54 2jml s ARG 4 Cb 0.04 -1.96 0.89 0.00 -1.03 0.00 0.00 34.95 32.89 2jml s ARG 4 CO 0.16 0.19 1.91 0.97 -1.13 0.00 0.00 175.30 177.40 2jml h ILE 5 N 1.86 0.85 -0.82 4.99 6.09 -1.92 -0.43 117.51 128.14 2jml h ILE 5 Ca -0.43 -0.20 0.07 0.00 -1.37 0.00 0.00 64.86 62.92 2jml h ILE 5 Cb 1.25 0.20 -0.06 0.00 0.47 0.00 0.00 36.82 38.69 2jml h ILE 5 CO 0.65 0.11 0.49 -0.09 -3.07 0.00 0.00 178.15 176.24 2jml h ARG 6 N 0.60 0.87 -0.61 2.19 2.43 -1.96 0.18 114.38 118.07 2jml h ARG 6 Ca 0.39 -0.05 -0.08 0.00 -0.81 0.00 0.00 59.98 59.43 2jml h ARG 6 Cb 0.68 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 2jml h ARG 6 CO -0.15 0.57 0.06 1.15 -1.51 0.00 0.00 179.97 180.09 2jml h THR 7 N 0.89 1.26 0.31 0.20 2.02 -1.50 0.69 112.91 116.79 2jml h THR 7 Ca 0.36 -1.07 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 2jml h THR 7 Cb 0.20 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 2jml h THR 7 CO -0.18 0.39 -0.15 0.40 0.37 0.00 0.00 175.52 176.35 2jml h ILE 8 N 0.94 0.71 -0.76 3.11 2.04 -0.93 -3.13 117.51 119.49 2jml h ILE 8 Ca 0.18 -0.24 0.04 0.00 1.00 0.00 0.00 64.86 65.83 2jml h ILE 8 Cb 0.48 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 2jml h ILE 8 CO 0.02 0.05 0.47 0.00 0.00 0.00 0.00 178.15 178.69 2jml h ALA 9 N 0.09 1.00 0.00 1.87 0.00 -0.63 -2.86 119.26 118.73 2jml h ALA 9 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jml h ALA 9 Cb 0.41 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2jml h ALA 9 CO 0.07 0.25 0.45 0.00 0.00 0.00 0.00 179.25 180.02 2jml h ARG 10 N 0.91 0.00 -1.01 0.00 2.47 -0.80 0.23 114.38 116.19 2jml h ARG 10 Ca 0.31 0.00 0.22 0.00 -1.26 0.00 0.00 59.98 59.25 2jml h ARG 10 Cb 0.05 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 28.25 2jml h ARG 10 CO -0.12 0.00 0.61 0.52 0.56 0.00 0.00 179.97 181.53 2jml h MET 11 N 0.00 0.64 0.00 0.04 2.86 -1.57 -3.41 114.93 113.49 2jml h MET 11 Ca 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2jml h MET 11 Cb 0.90 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.41 2jml h MET 11 CO 0.00 0.42 0.00 -2.37 1.06 0.00 0.00 176.91 176.02 2jml n THR 12 N -4.82 0.00 0.00 2.22 5.66 -0.47 -5.04 114.28 111.84 2jml n THR 12 Ca 0.25 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.25 2jml n THR 12 Cb 0.67 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.45 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 1.08 0.16 1.09 0.00 0.68 -4.78 105.19 103.42 2jml n GLY 13 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 2jml n GLY 13 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2jml h ILE 14 N 0.00 0.98 0.00 -0.61 -0.00 -1.96 0.93 117.51 116.85 2jml h ILE 14 Ca 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 64.86 64.74 2jml h ILE 14 Cb 0.00 0.59 0.00 0.00 -0.00 0.00 0.00 36.82 37.41 2jml h ILE 14 CO 0.00 0.07 0.00 0.08 -0.00 0.00 0.00 178.15 178.30 2jml h ARG 15 N 0.36 0.00 -0.29 2.19 -0.00 -1.88 -3.30 114.38 111.46 2jml h ARG 15 Ca 0.15 0.00 0.06 0.00 -0.00 0.00 0.00 59.98 60.18 2jml h ARG 15 Cb 0.06 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 29.98 2jml h ARG 15 CO -0.10 0.00 -0.04 1.49 -0.00 0.00 0.00 179.97 181.32 2jml h GLU 16 N 0.00 0.04 -0.13 0.08 4.81 -1.09 0.48 114.58 118.77 2jml h GLU 16 Ca 0.00 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.27 2jml h GLU 16 Cb 0.31 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 2jml h GLU 16 CO 0.00 0.02 0.31 0.00 -0.73 0.00 0.00 179.01 178.61 2jml h ALA 17 N 1.28 1.57 0.02 2.92 0.00 -1.67 -0.11 119.26 123.27 2jml h ALA 17 Ca 0.14 -0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.66 2jml h ALA 17 Cb 0.20 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 2jml h ALA 17 CO -0.27 -0.37 -2.32 2.41 0.00 0.00 0.00 179.25 178.69 2jml n THR 18 N -3.26 1.56 0.24 0.00 -1.04 0.24 -3.55 114.28 108.47 2jml n THR 18 Ca 0.01 -0.51 -0.16 0.00 -2.04 0.00 0.00 64.05 61.35 2jml n THR 18 Cb 0.40 -1.62 -0.08 0.00 -1.82 0.00 0.00 70.33 67.21 2jml n THR 18 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2jml h LEU 19 N -0.26 -0.87 -1.69 -4.42 3.38 0.45 0.17 115.31 112.07 2jml h LEU 19 Ca -0.56 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.44 2jml h LEU 19 Cb 1.83 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.85 2jml h LEU 19 CO -0.13 -0.48 -0.18 0.08 0.09 0.00 0.00 178.44 177.82 2jml h ARG 20 N -0.73 0.00 0.52 1.13 0.11 -1.27 -2.22 114.38 111.92 2jml h ARG 20 Ca -0.03 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.02 2jml h ARG 20 Cb 0.63 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.72 2jml h ARG 20 CO -0.02 0.18 -0.25 0.00 0.10 0.00 0.00 179.97 179.97 2jml h ALA 21 N 1.82 -0.70 -0.99 0.08 0.00 -1.52 -3.25 119.26 114.71 2jml h ALA 21 Ca -0.00 -0.19 0.24 0.00 0.00 0.00 0.00 54.91 54.96 2jml h ALA 21 Cb 0.33 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 2jml h ALA 21 CO 0.02 -0.72 0.65 -1.49 0.00 0.00 0.00 179.25 177.71 2jml h TRP 22 N -1.04 0.60 -0.85 0.00 6.55 -0.43 0.26 115.95 121.04 2jml h TRP 22 Ca -0.07 0.02 0.22 0.00 0.95 0.00 0.00 58.89 60.01 2jml h TRP 22 Cb 0.61 -0.18 -0.14 0.00 -0.86 0.00 0.00 29.16 28.59 2jml h TRP 22 CO 0.01 0.10 0.15 1.49 -1.05 0.00 0.00 178.44 179.14 2jml h GLU 23 N 0.40 0.16 0.00 0.49 4.22 -1.44 0.43 114.58 118.84 2jml h GLU 23 Ca 0.54 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.97 2jml h GLU 23 Cb 1.37 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2jml h GLU 23 CO -0.24 0.10 -1.33 0.54 -2.18 0.00 0.00 179.01 175.91 2jml n ARG 24 N -5.28 0.34 -0.02 1.92 1.74 0.11 -4.16 116.66 111.29 2jml n ARG 24 Ca 0.19 -0.06 -0.12 0.00 -0.77 0.00 0.00 57.85 57.10 2jml n ARG 24 Cb 0.63 -1.55 -0.14 0.00 -1.02 0.00 0.00 32.46 30.38 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 -1.95 0.66 0.00 5.56 0.63 0.69 -4.89 116.66 117.36 2jml n ARG 25 Ca 0.01 0.26 0.00 0.00 -0.92 0.00 0.00 57.85 57.20 2jml n ARG 25 Cb 0.45 -1.75 0.00 0.00 0.45 0.00 0.00 32.46 31.61 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 -3.12 -0.89 0.00 -0.14 4.01 0.55 -4.98 117.16 112.59 2jml n TYR 26 Ca -0.22 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.52 2jml n TYR 26 Cb 1.06 0.43 0.00 0.00 -0.31 0.00 0.00 39.34 40.52 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 0.27 0.76 3.84 2.72 0.00 0.12 -5.00 105.19 107.90 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 -2.00 3.70 0.57 1.61 2.19 -1.26 -2.08 117.98 120.71 2jml s PHE 28 Ca 0.00 0.90 -0.19 0.00 0.33 0.00 0.00 56.93 57.97 2jml s PHE 28 Cb 0.00 -2.23 -0.04 0.00 -1.31 0.00 0.00 43.02 39.44 2jml s PHE 28 CO 0.00 0.64 1.20 -1.25 1.83 0.00 0.00 175.22 177.65 2jml s PRO 29 N -1.00 3.09 -0.15 10.12 0.04 -1.26 -4.49 135.00 141.34 2jml s PRO 29 Ca 0.22 1.82 -0.18 0.00 0.04 0.00 0.00 61.00 62.90 2jml s PRO 29 Cb -0.16 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 2jml s PRO 29 CO 0.11 -1.11 0.46 -0.98 0.04 0.00 0.00 177.00 175.53 2jml s ARG 30 N -3.26 4.28 0.53 4.56 1.70 -0.88 -4.85 118.95 121.03 2jml s ARG 30 Ca 0.76 0.38 -0.20 0.00 -0.47 0.00 0.00 55.73 56.20 2jml s ARG 30 Cb -0.30 -3.48 -0.06 0.00 -0.57 0.00 0.00 34.95 30.55 2jml s ARG 30 CO 0.33 0.06 1.16 -1.25 -1.08 0.00 0.00 175.30 174.52 2jml s PRO 31 N 0.94 3.37 0.47 3.89 0.04 -1.26 -4.85 135.00 137.60 2jml s PRO 31 Ca 0.24 1.70 -0.22 0.00 0.04 0.00 0.00 61.00 62.76 2jml s PRO 31 Cb -0.15 -2.08 -0.08 0.00 0.04 0.00 0.00 34.50 32.23 2jml s PRO 31 CO 0.09 -0.86 1.08 -0.51 0.04 0.00 0.00 177.00 176.85 2jml s LEU 32 N -3.67 3.94 -1.04 -3.56 1.43 0.46 -4.91 118.68 111.32 2jml s LEU 32 Ca 0.72 2.07 -0.22 0.00 -1.03 0.00 0.00 54.13 55.66 2jml s LEU 32 Cb -0.26 -4.41 -0.11 0.00 0.03 0.00 0.00 46.19 41.44 2jml s LEU 32 CO 0.30 -0.80 1.92 -2.11 0.23 0.00 0.00 176.35 175.89 2jml n ARG 33 N -0.70 1.63 -2.46 1.70 -4.01 -1.26 -4.69 116.66 106.87 2jml n ARG 33 Ca 0.08 -2.27 -0.05 0.00 -1.04 0.00 0.00 57.85 54.57 2jml n ARG 33 Cb 0.51 -3.42 -0.01 0.00 -3.04 0.00 0.00 32.46 26.50 2jml n ARG 33 CO 0.00 0.00 0.00 0.43 -3.04 0.00 0.00 177.63 175.02 2jml n SER 34 N 11.55 -0.52 -3.76 2.89 7.64 -1.26 -5.18 113.62 124.98 2jml n SER 34 Ca 0.47 -1.71 -0.30 0.00 1.01 0.00 0.00 58.87 58.34 2jml n SER 34 Cb 0.44 0.97 0.28 0.00 -1.01 0.00 0.00 64.21 64.89 2jml n SER 34 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2jml s GLU 35 N -2.29 -2.32 0.00 1.43 2.12 -1.26 -4.98 118.70 111.40 2jml s GLU 35 Ca 0.11 0.32 0.00 0.00 0.36 0.00 0.00 54.97 55.75 2jml s GLU 35 Cb -0.00 -1.43 0.00 0.00 0.26 0.00 0.00 34.13 32.95 2jml s GLU 35 CO 0.08 -4.52 0.00 0.41 -0.54 0.00 0.00 175.26 170.69 2jml n GLY 36 N 1.10 1.25 0.00 -1.50 0.00 -1.26 -4.52 105.19 100.26 2jml n GLY 36 Ca 0.10 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2jml n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jml n ASN 37 N 0.00 0.00 0.03 1.61 3.02 -1.26 -4.60 115.26 114.07 2jml n ASN 37 Ca 0.00 0.57 -0.19 0.00 -0.03 0.00 0.00 54.58 54.93 2jml n ASN 37 Cb 0.00 -0.40 -0.12 0.00 -0.61 0.00 0.00 39.78 38.65 2jml n ASN 37 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 2jml h ASN 38 N 0.00 0.69 -2.86 6.41 2.35 -2.05 -3.45 115.58 116.67 2jml h ASN 38 Ca 0.00 -0.79 -0.44 0.00 -0.55 0.00 0.00 56.30 54.52 2jml h ASN 38 Cb 0.00 -0.21 0.06 0.00 0.05 0.00 0.00 38.32 38.21 2jml h ASN 38 CO 0.00 1.39 0.04 -0.31 -1.65 0.00 0.00 177.43 176.90 2jml s TYR 39 N -3.11 2.88 0.29 1.19 2.02 -1.26 -5.06 117.35 114.30 2jml s TYR 39 Ca -0.12 0.12 0.03 0.00 -0.37 0.00 0.00 57.07 56.73 2jml s TYR 39 Cb 0.04 -2.87 -0.01 0.00 -0.40 0.00 0.00 41.96 38.72 2jml s TYR 39 CO 0.87 -1.02 0.10 0.54 -1.57 0.00 0.00 175.55 174.47 2jml n ARG 40 N -2.50 0.71 -4.57 -0.62 5.12 -1.26 -4.43 116.66 109.10 2jml n ARG 40 Ca 0.08 -2.44 -0.21 0.00 -1.93 0.00 0.00 57.85 53.35 2jml n ARG 40 Cb 0.60 1.29 -0.15 0.00 -1.16 0.00 0.00 32.46 33.04 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 -2.61 1.04 0.30 1.55 -7.23 -1.26 -4.02 120.40 108.17 2jml s VAL 41 Ca 0.14 -0.59 0.01 0.00 -1.81 0.00 0.00 61.98 59.72 2jml s VAL 41 Cb 0.01 -0.87 -0.02 0.00 0.56 0.00 0.00 36.38 36.06 2jml s VAL 41 CO 0.10 0.27 0.34 -0.31 -0.31 0.00 0.00 175.10 175.19 2jml s TYR 42 N -0.35 1.28 0.05 2.82 1.51 0.47 -0.40 117.35 122.73 2jml s TYR 42 Ca 0.05 -1.40 0.01 0.00 -1.01 0.00 0.00 57.07 54.71 2jml s TYR 42 Cb -0.05 -0.38 -0.03 0.00 -0.11 0.00 0.00 41.96 41.38 2jml s TYR 42 CO -0.00 -0.94 -0.05 0.45 -1.11 0.00 0.00 175.55 173.90 2jml s SER 43 N -3.26 0.68 0.41 2.29 0.15 -1.26 -3.83 113.70 108.88 2jml s SER 43 Ca 0.35 -0.80 0.10 0.00 0.70 0.00 0.00 55.95 56.30 2jml s SER 43 Cb 0.02 0.12 0.88 0.00 -1.71 0.00 0.00 66.02 65.33 2jml s SER 43 CO 0.21 -0.42 2.00 -0.09 1.20 0.00 0.00 173.24 176.14 2jml h ARG 44 N 3.72 0.29 -0.79 5.44 9.65 -1.99 -1.73 114.38 128.98 2jml h ARG 44 Ca -0.34 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 58.53 2jml h ARG 44 Cb 1.18 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 29.65 2jml h ARG 44 CO 0.55 0.31 0.50 1.05 2.80 0.00 0.00 179.97 185.18 2jml h GLU 45 N 0.29 0.93 -0.02 0.20 4.11 -2.00 0.22 114.58 118.31 2jml h GLU 45 Ca 0.07 -0.06 -0.26 0.00 0.07 0.00 0.00 59.36 59.18 2jml h GLU 45 Cb 0.18 -0.21 0.02 0.00 0.50 0.00 0.00 28.75 29.24 2jml h GLU 45 CO 0.00 0.61 -1.01 1.05 0.07 0.00 0.00 179.01 179.74 2jml h GLU 46 N 0.95 0.71 -0.08 1.06 -0.00 -1.81 -3.19 114.58 112.23 2jml h GLU 46 Ca 0.32 -0.74 0.02 0.00 -0.00 0.00 0.00 59.36 58.97 2jml h GLU 46 Cb 0.05 0.20 -0.02 0.00 -0.00 0.00 0.00 28.75 28.98 2jml h GLU 46 CO -0.13 1.32 -0.06 0.28 -0.00 0.00 0.00 179.01 180.42 2jml h VAL 47 N 0.41 0.82 -0.67 -1.06 2.07 -0.91 0.22 116.25 117.13 2jml h VAL 47 Ca -0.12 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 2jml h VAL 47 Cb 1.66 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 2jml h VAL 47 CO 0.20 0.00 0.39 1.05 0.02 0.00 0.00 177.57 179.23 2jml h GLU 48 N -0.07 0.92 0.39 1.57 -0.00 -1.10 0.23 114.58 116.51 2jml h GLU 48 Ca 0.05 -0.09 -0.02 0.00 -0.00 0.00 0.00 59.36 59.30 2jml h GLU 48 Cb 0.15 -0.19 -0.00 0.00 -0.00 0.00 0.00 28.75 28.71 2jml h GLU 48 CO -0.12 0.67 -0.21 0.00 -0.00 0.00 0.00 179.01 179.34 2jml h ALA 49 N 1.20 -0.56 -0.86 1.06 0.00 -1.42 -1.34 119.26 117.33 2jml h ALA 49 Ca 0.24 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.05 2jml h ALA 49 Cb -0.00 0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2jml h ALA 49 CO -0.04 -0.82 0.56 0.28 0.00 0.00 0.00 179.25 179.23 2jml h VAL 50 N -0.56 1.18 -0.62 0.00 2.07 -0.43 0.21 116.25 118.09 2jml h VAL 50 Ca -0.05 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.16 2jml h VAL 50 Cb 0.45 -0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 30.12 2jml h VAL 50 CO 0.07 0.20 0.31 0.03 0.02 0.00 0.00 177.57 178.20 2jml h ARG 51 N 1.12 0.54 0.66 1.57 3.08 -0.40 0.18 114.38 121.13 2jml h ARG 51 Ca 0.33 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.32 2jml h ARG 51 Cb -0.06 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.87 2jml h ARG 51 CO -0.09 0.36 -0.38 0.00 -1.07 0.00 0.00 179.97 178.79 2jml h ARG 52 N 0.56 -0.92 -0.62 0.04 -0.00 -0.21 -2.70 114.38 110.53 2jml h ARG 52 Ca 0.29 0.06 0.13 0.00 -0.50 0.00 0.00 59.98 59.96 2jml h ARG 52 Cb 0.24 0.21 -0.10 0.00 0.00 0.00 0.00 29.97 30.32 2jml h ARG 52 CO -0.21 -0.62 0.02 0.28 0.00 0.00 0.00 179.97 179.43 2jml h VAL 53 N -0.96 0.51 -0.48 2.04 2.07 -0.29 0.23 116.25 119.36 2jml h VAL 53 Ca -0.09 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.44 2jml h VAL 53 Cb 0.76 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 2jml h VAL 53 CO 0.11 0.02 0.21 0.00 0.02 0.00 0.00 177.57 177.93 2jml h ALA 54 N 1.55 0.60 -0.11 1.67 0.00 -0.73 0.19 119.26 122.44 2jml h ALA 54 Ca 0.32 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 55.10 2jml h ALA 54 Cb 0.52 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2jml h ALA 54 CO -0.52 -0.16 -0.64 -0.09 0.00 0.00 0.00 179.25 177.85 2jml h ARG 55 N 0.42 0.40 -0.77 0.00 1.12 -0.82 -2.87 114.38 111.86 2jml h ARG 55 Ca 0.22 -0.29 -0.04 0.00 -1.11 0.00 0.00 59.98 58.76 2jml h ARG 55 Cb 0.17 0.05 -0.03 0.00 -0.01 0.00 0.00 29.97 30.14 2jml h ARG 55 CO -0.18 0.91 0.33 1.25 -3.11 0.00 0.00 179.97 179.17 2jml h LEU 56 N 0.29 1.04 -1.46 3.80 7.12 -0.32 -2.62 115.31 123.16 2jml h LEU 56 Ca -0.01 -0.16 0.06 0.00 0.13 0.00 0.00 57.88 57.89 2jml h LEU 56 Cb 1.19 -0.27 -0.04 0.00 -0.53 0.00 0.00 40.66 41.01 2jml h LEU 56 CO 0.11 0.92 0.43 0.40 -0.13 0.00 0.00 178.44 180.16 2jml h ILE 57 N 1.10 1.02 0.00 4.05 2.04 -0.54 -0.04 117.51 125.15 2jml h ILE 57 Ca 0.26 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.89 2jml h ILE 57 Cb 0.18 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 2jml h ILE 57 CO -0.03 0.12 0.00 1.56 0.00 0.00 0.00 178.15 179.81 2jml h GLN 58 N 0.67 0.00 0.08 2.37 1.08 -1.24 -0.77 115.11 117.29 2jml h GLN 58 Ca 0.27 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.37 2jml h GLN 58 Cb 0.23 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.67 2jml h GLN 58 CO -0.08 0.00 -0.47 1.05 -0.95 0.00 0.00 178.83 178.38 2jml h GLU 59 N 0.00 0.17 0.00 1.46 4.11 -1.04 -3.47 114.58 115.81 2jml h GLU 59 Ca 0.00 -0.29 0.00 0.00 0.07 0.00 0.00 59.36 59.14 2jml h GLU 59 Cb 0.12 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2jml h GLU 59 CO 0.00 1.14 0.00 0.39 0.07 0.00 0.00 179.01 180.61 2jml n GLU 60 N -4.34 0.00 0.00 1.06 1.02 -1.05 -5.07 120.64 112.27 2jml n GLU 60 Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 2jml n GLU 60 Cb 0.67 -0.39 0.00 0.00 -0.02 0.00 0.00 31.44 31.71 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 0.58 2.91 0.43 0.62 0.00 -0.32 -4.87 105.19 104.54 2jml n GLY 61 Ca 0.00 -0.14 0.25 0.00 0.00 0.00 0.00 46.02 46.12 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 0.30 -0.67 0.99 5.85 -1.91 -0.20 115.31 119.67 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 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2jml h LEU 62 CO 0.00 0.08 0.28 -1.20 -0.34 0.00 0.00 178.44 177.26 2jml n SER 63 N -4.47 0.26 0.00 1.25 7.64 -1.26 -0.87 113.62 116.16 2jml n SER 63 Ca 0.23 0.50 0.00 0.00 1.01 0.00 0.00 58.87 60.60 2jml n SER 63 Cb 0.90 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 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 -1.88 0.00 -0.08 0.44 0.31 -0.09 -0.46 118.33 116.58 2jml n VAL 64 Ca -0.01 1.36 -0.15 0.00 -0.01 0.00 0.00 64.34 65.53 2jml n VAL 64 Cb 0.29 -2.04 -0.05 0.00 -0.91 0.00 0.00 33.84 31.14 2jml n VAL 64 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2jml h SER 65 N 0.00 0.93 0.54 4.52 0.02 -1.25 -2.90 113.55 115.41 2jml h SER 65 Ca 0.00 -0.53 -0.03 0.00 -0.84 0.00 0.00 61.79 60.39 2jml h SER 65 Cb 0.00 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 62.28 2jml h SER 65 CO 0.00 1.29 -0.26 -0.33 -1.14 0.00 0.00 176.83 176.39 2jml h GLU 66 N 0.60 -0.70 0.00 3.45 4.39 -1.10 0.14 114.58 121.37 2jml h GLU 66 Ca 0.01 0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.67 2jml h GLU 66 Cb 1.12 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.92 2jml h GLU 66 CO 0.11 -0.39 -0.42 0.00 -1.16 0.00 0.00 179.01 177.15 2jml h ALA 67 N -0.65 1.00 0.43 3.43 0.00 -0.92 0.32 119.26 122.87 2jml h ALA 67 Ca -0.07 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 2jml h ALA 67 Cb 0.63 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2jml h ALA 67 CO 0.12 0.53 -0.21 0.82 0.00 0.00 0.00 179.25 180.52 2jml h ILE 68 N 0.00 0.55 -0.82 0.00 2.04 -1.52 0.10 117.51 117.86 2jml h ILE 68 Ca -0.00 -0.33 0.03 0.00 1.00 0.00 0.00 64.86 65.56 2jml h ILE 68 Cb 0.93 0.70 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 2jml h ILE 68 CO 0.06 0.06 0.53 0.00 0.00 0.00 0.00 178.15 178.79 2jml h ALA 69 N -0.30 1.07 0.80 1.87 0.00 -0.45 0.11 119.26 122.36 2jml h ALA 69 Ca -0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 2jml h ALA 69 Cb 0.54 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2jml h ALA 69 CO 0.10 0.38 -0.49 1.96 0.00 0.00 0.00 179.25 181.19 2jml h GLN 70 N 1.05 -1.17 0.00 0.00 4.20 -0.39 0.25 115.11 119.04 2jml h GLN 70 Ca 0.32 0.08 -0.02 0.00 0.06 0.00 0.00 58.65 59.09 2jml h GLN 70 Cb -0.02 0.26 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 2jml h GLN 70 CO -0.10 -0.78 -0.11 -0.24 -0.67 0.00 0.00 178.83 176.93 2jml h VAL 71 N -1.21 0.68 0.08 -0.54 3.04 -0.55 0.35 116.25 118.10 2jml h VAL 71 Ca -0.11 -0.44 -0.26 0.00 -1.01 0.00 0.00 66.70 64.88 2jml h VAL 71 Cb 0.97 1.27 0.01 0.00 -2.01 0.00 0.00 31.29 31.53 2jml h VAL 71 CO 0.11 0.11 -1.13 0.11 -1.01 0.00 0.00 177.57 175.76 2jml h LYS 72 N 0.00 0.45 0.00 4.17 1.79 -0.68 -3.32 116.57 118.98 2jml h LYS 72 Ca -0.00 -0.58 0.00 0.00 -2.18 0.00 0.00 60.65 57.89 2jml h LYS 72 Cb 0.26 0.19 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 2jml h LYS 72 CO 0.01 1.23 -0.38 0.00 -1.08 0.00 0.00 179.45 179.24 2jml h THR 73 N 0.20 0.00 -4.17 -0.16 1.03 0.06 -3.47 112.91 106.40 2jml h THR 73 Ca -0.13 -0.98 -0.54 0.00 -0.01 0.00 0.00 66.41 64.75 2jml h THR 73 Cb 1.80 1.79 0.17 0.00 -1.07 0.00 0.00 68.15 70.83 2jml h THR 73 CO 0.20 0.00 0.40 -1.61 -0.01 0.00 0.00 175.52 174.50 2jml s GLU 74 N -3.26 2.05 0.48 0.00 2.02 0.12 -5.01 118.70 115.10 2jml s GLU 74 Ca 0.04 1.83 -0.21 0.00 0.02 0.00 0.00 54.97 56.66 2jml s GLU 74 Cb 0.07 -1.81 -0.08 0.00 0.10 0.00 0.00 34.13 32.41 2jml s GLU 74 CO 0.71 -1.92 1.07 -1.25 0.02 0.00 0.00 175.26 173.90 2jml s PRO 75 N -3.86 3.76 0.60 0.39 0.04 -1.26 -4.99 135.00 129.68 2jml s PRO 75 Ca 0.76 1.48 -0.16 0.00 0.04 0.00 0.00 61.00 63.12 2jml s PRO 75 Cb -0.31 -2.18 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 2jml s PRO 75 CO 0.46 -0.49 1.09 -1.25 0.04 0.00 0.00 177.00 176.85 2jml s PRO 76 N -3.06 3.16 -0.30 0.56 0.04 -1.26 -5.06 135.00 129.08 2jml s PRO 76 Ca 0.67 1.34 -0.04 0.00 0.04 0.00 0.00 61.00 63.00 2jml s PRO 76 Cb -0.20 -2.00 0.17 0.00 0.04 0.00 0.00 34.50 32.51 2jml s PRO 76 CO 0.24 -0.95 0.62 0.50 0.04 0.00 0.00 177.00 177.44 2jml s ARG 77 N -3.91 0.57 0.00 4.56 3.52 -1.26 -5.31 118.95 117.12 2jml s ARG 77 Ca 0.66 1.16 0.00 0.00 -0.13 0.00 0.00 55.73 57.42 2jml s ARG 77 Cb -0.19 0.66 0.00 0.00 -1.56 0.00 0.00 34.95 33.86 2jml s ARG 77 CO 0.36 -0.48 0.23 -1.91 -0.81 0.00 0.00 175.30 172.69