#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 -1.70 -4.91 1.61 3.41 -1.26 -5.00 113.62 105.78 2jml n SER -1 Ca 0.00 0.01 -0.20 0.00 -0.26 0.00 0.00 58.87 58.42 2jml n SER -1 Cb 0.00 -0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 63.90 2jml n SER -1 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2jml s HIS 0 N -0.03 2.83 0.54 7.33 4.02 -1.26 -5.14 115.29 123.58 2jml s HIS 0 Ca 0.00 -0.39 -0.19 0.00 1.02 0.00 0.00 55.06 55.50 2jml s HIS 0 Cb 0.00 -2.08 -0.06 0.00 -1.02 0.00 0.00 32.58 29.42 2jml s HIS 0 CO 0.00 -0.07 1.11 1.41 1.02 0.00 0.00 174.74 178.21 2jml s MET 1 N -4.13 3.43 0.06 1.40 -2.45 -1.26 -5.10 119.30 111.24 2jml s MET 1 Ca 0.47 1.54 0.01 0.00 -1.25 0.00 0.00 55.69 56.46 2jml s MET 1 Cb -0.06 -2.02 -0.03 0.00 1.25 0.00 0.00 34.83 33.97 2jml s MET 1 CO 0.29 -0.77 -0.05 0.95 1.05 0.00 0.00 175.02 176.48 2jml s THR 2 N -1.85 0.41 0.34 10.11 -4.23 -1.26 -4.07 115.64 115.08 2jml s THR 2 Ca 0.71 -1.49 0.05 0.00 -1.18 0.00 0.00 61.69 59.78 2jml s THR 2 Cb -0.22 -1.10 -0.03 0.00 1.34 0.00 0.00 72.50 72.49 2jml s THR 2 CO 0.26 -0.72 0.20 -0.76 -0.54 0.00 0.00 174.62 173.06 2jml s LEU 3 N -2.34 1.75 0.23 4.79 2.01 -0.50 -4.99 118.68 119.63 2jml s LEU 3 Ca -0.00 -1.67 0.07 0.00 0.01 0.00 0.00 54.13 52.54 2jml s LEU 3 Cb -0.01 0.29 -0.04 0.00 0.01 0.00 0.00 46.19 46.44 2jml s LEU 3 CO -0.04 -0.97 0.12 -0.13 1.01 0.00 0.00 176.35 176.34 2jml s ARG 4 N -3.65 2.73 0.27 1.70 1.81 -1.26 -0.57 118.95 119.98 2jml s ARG 4 Ca 0.35 -1.10 0.01 0.00 -1.72 0.00 0.00 55.73 53.27 2jml s ARG 4 Cb 0.03 -2.48 0.62 0.00 -0.45 0.00 0.00 34.95 32.67 2jml s ARG 4 CO 0.21 0.42 1.73 0.97 -0.68 0.00 0.00 175.30 177.95 2jml h ILE 5 N 1.79 0.62 -0.81 1.52 -0.00 -1.33 0.74 117.51 120.04 2jml h ILE 5 Ca -0.47 -0.18 0.18 0.00 -0.00 0.00 0.00 64.86 64.38 2jml h ILE 5 Cb 1.23 0.05 -0.11 0.00 -0.00 0.00 0.00 36.82 37.98 2jml h ILE 5 CO 0.61 0.10 0.29 0.08 -0.00 0.00 0.00 178.15 179.22 2jml h ARG 6 N 0.53 0.36 0.01 2.19 0.11 -1.95 0.14 114.38 115.76 2jml h ARG 6 Ca 0.50 -0.02 -0.23 0.00 0.10 0.00 0.00 59.98 60.34 2jml h ARG 6 Cb 0.83 -0.08 0.00 0.00 1.11 0.00 0.00 29.97 31.83 2jml h ARG 6 CO -0.43 0.24 -0.96 1.15 0.10 0.00 0.00 179.97 180.06 2jml h THR 7 N 0.37 1.42 -0.68 0.08 2.02 -1.28 -0.26 112.91 114.57 2jml h THR 7 Ca 0.47 -2.51 -0.06 0.00 0.77 0.00 0.00 66.41 65.09 2jml h THR 7 Cb 0.82 2.46 -0.03 0.00 -1.74 0.00 0.00 68.15 69.66 2jml h THR 7 CO -0.49 0.75 0.20 0.40 0.37 0.00 0.00 175.52 176.74 2jml h ILE 8 N 0.21 1.26 -0.20 3.11 2.04 -0.63 -3.16 117.51 120.14 2jml h ILE 8 Ca -0.08 -0.89 -0.10 0.00 1.00 0.00 0.00 64.86 64.78 2jml h ILE 8 Cb 1.60 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 38.23 2jml h ILE 8 CO 0.16 0.35 -0.27 0.00 0.00 0.00 0.00 178.15 178.39 2jml h ALA 9 N 1.09 0.30 0.00 1.87 0.00 -0.71 -3.29 119.26 118.52 2jml h ALA 9 Ca 0.22 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2jml h ALA 9 Cb 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2jml h ALA 9 CO -0.00 0.30 0.50 0.00 0.00 0.00 0.00 179.25 180.05 2jml h ARG 10 N 0.21 0.00 -0.92 0.00 2.47 -1.00 0.14 114.38 115.28 2jml h ARG 10 Ca 0.02 0.00 0.23 0.00 -1.26 0.00 0.00 59.98 58.97 2jml h ARG 10 Cb 0.84 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 29.03 2jml h ARG 10 CO 0.06 0.00 0.44 0.52 0.56 0.00 0.00 179.97 181.55 2jml h MET 11 N 0.00 0.43 0.00 0.04 2.86 -1.63 -3.39 114.93 113.24 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 1.01 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.57 2jml h MET 11 CO 0.00 0.28 0.00 0.25 1.06 0.00 0.00 176.91 178.50 2jml n THR 12 N -5.01 0.00 0.00 2.22 -2.24 -0.54 -5.04 114.28 103.66 2jml n THR 12 Ca 0.23 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 2jml n THR 12 Cb 0.67 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 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 0.91 0.35 3.38 0.00 0.39 -4.70 105.19 105.52 2jml n GLY 13 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 0.71 0.00 -0.61 -0.00 -1.97 0.11 117.51 115.76 2jml h ILE 14 Ca 0.00 -0.26 0.00 0.00 -0.00 0.00 0.00 64.86 64.60 2jml h ILE 14 Cb 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 36.82 36.71 2jml h ILE 14 CO 0.00 0.14 0.00 0.08 -0.00 0.00 0.00 178.15 178.37 2jml h ARG 15 N 0.76 0.00 -0.33 0.16 0.11 -1.85 -3.29 114.38 109.94 2jml h ARG 15 Ca 0.57 0.00 0.05 0.00 0.10 0.00 0.00 59.98 60.70 2jml h ARG 15 Cb 0.86 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.89 2jml h ARG 15 CO -0.38 0.00 0.05 1.49 0.10 0.00 0.00 179.97 181.23 2jml h GLU 16 N 0.00 0.15 -0.98 0.08 4.81 -1.05 0.61 114.58 118.20 2jml h GLU 16 Ca 0.00 -0.01 0.17 0.00 -0.13 0.00 0.00 59.36 59.39 2jml h GLU 16 Cb 0.32 -0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.57 2jml h GLU 16 CO 0.00 0.10 0.61 0.00 -0.73 0.00 0.00 179.01 178.99 2jml h ALA 17 N 1.26 1.71 -0.09 2.92 0.00 -1.75 0.94 119.26 124.26 2jml h ALA 17 Ca 0.16 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 2jml h ALA 17 Cb 0.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2jml h ALA 17 CO -0.22 -0.03 -0.34 0.00 0.00 0.00 0.00 179.25 178.65 2jml h THR 18 N 0.78 1.40 0.33 0.00 1.03 -1.44 -1.42 112.91 113.59 2jml h THR 18 Ca 0.53 -1.70 -0.01 0.00 -0.01 0.00 0.00 66.41 65.22 2jml h THR 18 Cb 0.81 2.24 0.00 0.00 -1.07 0.00 0.00 68.15 70.13 2jml h THR 18 CO -0.31 0.50 -0.17 -0.07 -0.01 0.00 0.00 175.52 175.46 2jml h LEU 19 N -0.07 -0.40 -1.65 0.00 3.38 -0.08 0.13 115.31 116.62 2jml h LEU 19 Ca -0.02 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2jml h LEU 19 Cb 0.98 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 2jml h LEU 19 CO 0.07 -0.28 -0.06 0.08 0.09 0.00 0.00 178.44 178.35 2jml h ARG 20 N -0.45 0.00 0.26 1.13 -0.00 -0.96 -1.41 114.38 112.94 2jml h ARG 20 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.93 2jml h ARG 20 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.33 2jml h ARG 20 CO 0.06 0.06 -0.12 0.00 -0.00 0.00 0.00 179.97 179.97 2jml h ALA 21 N 1.94 -0.35 -0.85 0.08 0.00 -0.90 -3.34 119.26 115.84 2jml h ALA 21 Ca -0.00 -0.20 0.11 0.00 0.00 0.00 0.00 54.91 54.82 2jml h ALA 21 Cb 0.47 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 2jml h ALA 21 CO 0.01 -0.46 0.55 -1.49 0.00 0.00 0.00 179.25 177.86 2jml h TRP 22 N -0.81 0.83 -1.21 0.00 6.55 -0.16 0.17 115.95 121.33 2jml h TRP 22 Ca -0.04 0.02 0.37 0.00 0.95 0.00 0.00 58.89 60.20 2jml h TRP 22 Cb 0.51 -0.27 -0.12 0.00 -0.86 0.00 0.00 29.16 28.43 2jml h TRP 22 CO 0.05 0.36 0.78 1.49 -1.05 0.00 0.00 178.44 180.06 2jml h GLU 23 N 0.75 0.19 0.00 0.49 4.81 -1.40 0.29 114.58 119.71 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 0.53 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2jml h GLU 23 CO -0.17 0.13 -0.74 -2.13 -0.73 0.00 0.00 179.01 175.36 2jml n ARG 24 N -4.68 2.67 -0.07 1.92 0.63 0.34 -4.19 116.66 113.28 2jml n ARG 24 Ca 0.33 -0.02 -0.21 0.00 -0.92 0.00 0.00 57.85 57.03 2jml n ARG 24 Cb 1.22 -1.08 -0.13 0.00 0.45 0.00 0.00 32.46 32.92 2jml n ARG 24 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2jml n ARG 25 N -1.40 0.69 0.00 -0.14 1.74 0.24 -4.91 116.66 112.88 2jml n ARG 25 Ca 0.01 0.23 0.00 0.00 -0.77 0.00 0.00 57.85 57.33 2jml n ARG 25 Cb 0.20 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 2jml n ARG 25 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2jml n TYR 26 N -3.51 0.00 0.00 -1.55 4.01 0.21 -5.02 117.16 111.30 2jml n TYR 26 Ca -0.40 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.34 2jml n TYR 26 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.02 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 0.13 3.39 3.77 2.72 0.00 0.77 -5.02 105.19 110.96 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 -2.68 3.45 0.32 1.61 2.19 -1.26 -2.46 117.98 119.15 2jml s PHE 28 Ca 0.00 1.69 -0.29 0.00 0.33 0.00 0.00 56.93 58.66 2jml s PHE 28 Cb 0.00 -3.12 -0.11 0.00 -1.31 0.00 0.00 43.02 38.48 2jml s PHE 28 CO 0.00 -0.41 1.44 -1.25 1.83 0.00 0.00 175.22 176.83 2jml s PRO 29 N -2.11 4.22 -0.16 10.12 0.04 -1.26 -4.31 135.00 141.54 2jml s PRO 29 Ca 0.52 2.40 -0.29 0.00 0.04 0.00 0.00 61.00 63.67 2jml s PRO 29 Cb -0.24 -3.04 -0.01 0.00 0.04 0.00 0.00 34.50 31.25 2jml s PRO 29 CO 0.30 -0.42 1.16 1.03 0.04 0.00 0.00 177.00 179.11 2jml s ARG 30 N -1.29 4.28 0.44 4.56 0.52 -1.03 -4.92 118.95 121.51 2jml s ARG 30 Ca 0.55 1.54 -0.24 0.00 -0.52 0.00 0.00 55.73 57.06 2jml s ARG 30 Cb -0.44 -3.67 -0.08 0.00 0.52 0.00 0.00 34.95 31.29 2jml s ARG 30 CO 0.53 -0.60 1.20 -1.25 0.02 0.00 0.00 175.30 175.19 2jml s PRO 31 N 3.05 3.83 0.43 3.54 0.04 -1.26 -4.90 135.00 139.72 2jml s PRO 31 Ca 0.51 1.88 -0.24 0.00 0.04 0.00 0.00 61.00 63.19 2jml s PRO 31 Cb -0.20 -2.52 -0.08 0.00 0.04 0.00 0.00 34.50 31.74 2jml s PRO 31 CO 0.13 -0.52 1.19 -0.51 0.04 0.00 0.00 177.00 177.32 2jml s LEU 32 N -2.82 4.11 -0.93 -3.56 1.43 -0.24 -4.92 118.68 111.75 2jml s LEU 32 Ca 0.61 2.37 -0.24 0.00 -1.03 0.00 0.00 54.13 55.84 2jml s LEU 32 Cb -0.31 -4.10 -0.01 0.00 0.03 0.00 0.00 46.19 41.80 2jml s LEU 32 CO 0.39 -0.81 1.73 -0.60 0.23 0.00 0.00 176.35 177.29 2jml s ARG 33 N -2.47 2.98 0.10 1.70 3.52 -1.26 -4.71 118.95 118.81 2jml s ARG 33 Ca 0.60 -0.58 -0.04 0.00 -0.13 0.00 0.00 55.73 55.58 2jml s ARG 33 Cb -0.31 -5.13 0.02 0.00 -1.56 0.00 0.00 34.95 27.97 2jml s ARG 33 CO 0.38 -2.86 0.20 0.43 -0.81 0.00 0.00 175.30 172.64 2jml n SER 34 N 11.81 -0.59 -4.70 -2.12 7.64 -1.26 -5.17 113.62 119.23 2jml n SER 34 Ca 0.36 -1.41 -0.32 0.00 1.01 0.00 0.00 58.87 58.51 2jml n SER 34 Cb 0.49 0.98 0.14 0.00 -1.01 0.00 0.00 64.21 64.80 2jml n SER 34 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2jml s GLU 35 N -2.03 1.46 0.00 1.43 -1.05 -1.26 -4.96 118.70 112.29 2jml s GLU 35 Ca 0.04 1.50 0.00 0.00 -0.15 0.00 0.00 54.97 56.37 2jml s GLU 35 Cb -0.01 -1.78 0.00 0.00 -0.44 0.00 0.00 34.13 31.90 2jml s GLU 35 CO 0.03 -2.30 0.00 0.41 0.95 0.00 0.00 175.26 174.35 2jml n GLY 36 N -0.06 2.63 0.06 -3.83 0.00 -1.26 -4.69 105.19 98.03 2jml n GLY 36 Ca 0.12 -0.97 -0.05 0.00 0.00 0.00 0.00 46.02 45.11 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 1.22 0.26 1.61 4.13 -1.26 -4.56 115.26 116.65 2jml n ASN 37 Ca 0.00 0.23 0.10 0.00 1.68 0.00 0.00 54.58 56.59 2jml n ASN 37 Cb 0.00 -0.66 0.68 0.00 -1.54 0.00 0.00 39.78 38.26 2jml n ASN 37 CO 0.00 0.00 0.00 -1.13 0.28 0.00 0.00 177.26 176.41 2jml h ASN 38 N -0.63 0.00 -3.76 6.41 -1.24 -2.05 -3.43 115.58 110.88 2jml h ASN 38 Ca 0.00 0.00 -0.68 0.00 0.71 0.00 0.00 56.30 56.33 2jml h ASN 38 Cb 0.61 0.00 -0.19 0.00 0.73 0.00 0.00 38.32 39.47 2jml h ASN 38 CO 0.00 0.11 -0.81 -0.31 -1.29 0.00 0.00 177.43 175.13 2jml s TYR 39 N -4.53 2.51 -0.07 0.67 1.51 -1.26 -5.02 117.35 111.16 2jml s TYR 39 Ca -0.04 -0.27 0.04 0.00 -1.01 0.00 0.00 57.07 55.79 2jml s TYR 39 Cb 0.15 -1.34 0.00 0.00 -0.11 0.00 0.00 41.96 40.66 2jml s TYR 39 CO 0.63 0.37 -0.20 1.03 -1.11 0.00 0.00 175.55 176.27 2jml s ARG 40 N -2.09 2.36 0.27 -0.62 3.00 -1.26 -4.49 118.95 116.12 2jml s ARG 40 Ca 0.17 -0.72 -0.25 0.00 0.00 0.00 0.00 55.73 54.94 2jml s ARG 40 Cb -0.10 -1.90 -0.09 0.00 0.00 0.00 0.00 34.95 32.85 2jml s ARG 40 CO 0.09 0.20 0.87 0.14 0.00 0.00 0.00 175.30 176.60 2jml s VAL 41 N 0.25 4.31 0.02 3.52 -7.23 -1.26 -0.81 120.40 119.20 2jml s VAL 41 Ca -0.12 1.69 -0.11 0.00 -1.81 0.00 0.00 61.98 61.63 2jml s VAL 41 Cb -0.15 -4.01 0.01 0.00 0.56 0.00 0.00 36.38 32.79 2jml s VAL 41 CO 0.05 0.23 0.23 -0.31 -0.31 0.00 0.00 175.10 175.00 2jml s TYR 42 N -1.50 -0.03 0.61 2.82 2.02 0.26 -1.08 117.35 120.45 2jml s TYR 42 Ca 0.46 -0.09 -0.04 0.00 -0.37 0.00 0.00 57.07 57.03 2jml s TYR 42 Cb -0.19 0.02 0.03 0.00 -0.40 0.00 0.00 41.96 41.42 2jml s TYR 42 CO 0.24 -0.41 0.89 -1.54 -1.57 0.00 0.00 175.55 173.16 2jml s SER 43 N -1.81 5.23 0.32 2.29 1.04 -1.26 -1.41 113.70 118.09 2jml s SER 43 Ca -0.08 0.40 0.10 0.00 0.48 0.00 0.00 55.95 56.84 2jml s SER 43 Cb -0.03 -1.25 0.55 0.00 0.10 0.00 0.00 66.02 65.39 2jml s SER 43 CO -0.01 -1.26 1.73 -0.09 0.98 0.00 0.00 173.24 174.59 2jml h ARG 44 N -0.23 0.08 -0.10 4.02 9.65 -1.97 -2.94 114.38 122.88 2jml h ARG 44 Ca -0.44 -0.04 -0.18 0.00 -1.10 0.00 0.00 59.98 58.22 2jml h ARG 44 Cb 1.29 -0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.86 2jml h ARG 44 CO 0.58 0.51 -0.69 1.05 2.80 0.00 0.00 179.97 184.22 2jml h GLU 45 N 0.06 0.44 0.02 0.20 4.11 -1.95 0.10 114.58 117.57 2jml h GLU 45 Ca 0.00 -0.34 0.02 0.00 0.07 0.00 0.00 59.36 59.11 2jml h GLU 45 Cb 0.81 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 2jml h GLU 45 CO 0.06 0.97 -0.12 0.93 0.07 0.00 0.00 179.01 180.92 2jml h GLU 46 N 0.31 -0.21 -0.91 1.06 3.07 -1.97 -3.00 114.58 112.93 2jml h GLU 46 Ca -0.02 0.01 0.04 0.00 -0.50 0.00 0.00 59.36 58.89 2jml h GLU 46 Cb 1.25 0.05 -0.06 0.00 -0.84 0.00 0.00 28.75 29.16 2jml h GLU 46 CO 0.12 -0.14 0.59 0.28 -1.40 0.00 0.00 179.01 178.46 2jml h VAL 47 N -0.22 1.14 0.06 3.13 2.07 -1.27 0.91 116.25 122.07 2jml h VAL 47 Ca 0.04 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 67.19 2jml h VAL 47 Cb 0.26 -0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 29.89 2jml h VAL 47 CO -0.11 0.21 -0.36 -0.08 0.02 0.00 0.00 177.57 177.25 2jml h GLU 48 N 1.13 -0.53 0.39 1.57 4.57 -0.78 0.21 114.58 121.14 2jml h GLU 48 Ca 0.37 0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.58 2jml h GLU 48 Cb 0.03 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 2jml h GLU 48 CO -0.13 -0.35 -0.31 0.00 -1.18 0.00 0.00 179.01 177.04 2jml h ALA 49 N 0.08 -0.71 -0.94 2.92 0.00 -1.34 -2.28 119.26 116.99 2jml h ALA 49 Ca 0.04 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.93 2jml h ALA 49 Cb 0.61 0.42 -0.08 0.00 0.00 0.00 0.00 17.79 18.74 2jml h ALA 49 CO -0.25 -0.92 0.58 0.28 0.00 0.00 0.00 179.25 178.94 2jml h VAL 50 N -0.70 0.95 -0.30 0.00 2.07 -0.63 0.27 116.25 117.91 2jml h VAL 50 Ca -0.03 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 2jml h VAL 50 Cb 0.61 -0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2jml h VAL 50 CO -0.01 0.17 0.14 -0.09 0.02 0.00 0.00 177.57 177.80 2jml h ARG 51 N 0.96 0.43 0.31 1.57 1.12 -0.51 0.36 114.38 118.61 2jml h ARG 51 Ca 0.45 -0.07 -0.01 0.00 -1.11 0.00 0.00 59.98 59.25 2jml h ARG 51 Cb 0.38 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.26 2jml h ARG 51 CO -0.24 0.42 -0.22 0.00 -3.11 0.00 0.00 179.97 176.82 2jml h ARG 52 N 0.34 -0.51 -0.13 0.20 3.08 -0.70 -2.23 114.38 114.44 2jml h ARG 52 Ca 0.10 0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.23 2jml h ARG 52 Cb 0.13 0.11 -0.06 0.00 0.08 0.00 0.00 29.97 30.24 2jml h ARG 52 CO -0.01 -0.34 -0.28 0.28 -1.07 0.00 0.00 179.97 178.55 2jml h VAL 53 N -0.52 0.35 -0.85 2.04 2.07 -0.39 0.11 116.25 119.06 2jml h VAL 53 Ca -0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.51 2jml h VAL 53 Cb 0.45 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 2jml h VAL 53 CO 0.01 0.00 0.56 0.00 0.02 0.00 0.00 177.57 178.15 2jml h ALA 54 N 0.52 1.42 -0.22 1.67 0.00 -0.96 0.16 119.26 121.85 2jml h ALA 54 Ca 0.10 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2jml h ALA 54 Cb 0.51 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2jml h ALA 54 CO -0.33 0.52 -0.30 -0.09 0.00 0.00 0.00 179.25 179.05 2jml h ARG 55 N 1.11 0.59 -0.57 0.00 2.43 -0.74 -2.58 114.38 114.62 2jml h ARG 55 Ca 0.32 -0.34 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2jml h ARG 55 Cb -0.08 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 2jml h ARG 55 CO -0.08 0.94 0.29 -0.07 -1.51 0.00 0.00 179.97 179.55 2jml h LEU 56 N 0.27 0.71 -1.39 3.80 3.38 -0.57 -2.36 115.31 119.15 2jml h LEU 56 Ca 0.02 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.96 2jml h LEU 56 Cb 0.87 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 2jml h LEU 56 CO 0.07 0.59 0.43 0.40 0.09 0.00 0.00 178.44 180.02 2jml h ILE 57 N 0.80 1.11 0.00 1.22 2.04 -0.59 -1.51 117.51 120.58 2jml h ILE 57 Ca 0.20 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2jml h ILE 57 Cb 0.05 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 2jml h ILE 57 CO -0.03 0.15 0.00 1.56 0.00 0.00 0.00 178.15 179.83 2jml h GLN 58 N 0.81 0.00 0.00 2.37 1.08 -1.01 -1.43 115.11 116.93 2jml h GLN 58 Ca 0.25 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.27 2jml h GLN 58 Cb 0.02 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.42 2jml h GLN 58 CO -0.07 0.00 -1.12 0.93 -0.95 0.00 0.00 178.83 177.63 2jml h GLU 59 N 0.00 0.00 0.00 1.46 5.08 -1.36 -3.47 114.58 116.30 2jml h GLU 59 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2jml h GLU 59 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2jml h GLU 59 CO 0.00 0.54 0.00 -1.91 -1.00 0.00 0.00 179.01 176.64 2jml n GLU 60 N -3.11 0.00 0.00 2.33 2.13 -0.80 -5.06 120.64 116.13 2jml n GLU 60 Ca -0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.76 2jml n GLU 60 Cb 0.87 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.58 2jml n GLU 60 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jml n GLY 61 N -1.26 2.03 0.35 8.31 0.00 -0.60 -4.98 105.19 109.03 2jml n GLY 61 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.21 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 0.63 -0.85 0.99 5.85 -1.91 0.28 115.31 120.31 2jml h LEU 62 Ca 0.00 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.86 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 0.07 0.16 -1.20 -0.34 0.00 0.00 178.44 177.13 2jml n SER 63 N -4.88 0.33 0.08 1.25 7.64 -1.26 -0.73 113.62 116.05 2jml n SER 63 Ca 0.28 0.58 -0.11 0.00 1.01 0.00 0.00 58.87 60.63 2jml n SER 63 Cb 0.80 -0.58 -0.06 0.00 -1.01 0.00 0.00 64.21 63.35 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 0.00 0.11 0.44 2.07 -1.24 -1.36 116.25 116.27 2jml h VAL 64 Ca 0.00 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.32 2jml h VAL 64 Cb 0.33 0.00 0.02 0.00 -1.52 0.00 0.00 31.29 30.12 2jml h VAL 64 CO 0.00 0.00 -0.84 -1.28 0.02 0.00 0.00 177.57 175.47 2jml h SER 65 N -0.49 0.54 0.27 0.57 0.87 -1.26 -3.30 113.55 110.76 2jml h SER 65 Ca -0.01 -0.89 -0.01 0.00 -1.23 0.00 0.00 61.79 59.65 2jml h SER 65 Cb 0.49 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2jml h SER 65 CO -0.17 1.39 -0.13 -0.08 -0.53 0.00 0.00 176.83 177.30 2jml h GLU 66 N -0.22 -0.36 0.00 2.24 4.57 -1.02 0.76 114.58 120.56 2jml h GLU 66 Ca -0.14 0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 57.99 2jml h GLU 66 Cb 1.62 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 30.28 2jml h GLU 66 CO 0.16 -0.06 -0.36 0.00 -1.18 0.00 0.00 179.01 177.57 2jml h ALA 67 N -0.01 0.94 0.33 2.92 0.00 -1.45 0.20 119.26 122.18 2jml h ALA 67 Ca -0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 2jml h ALA 67 Cb 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2jml h ALA 67 CO 0.06 0.44 -0.16 0.82 0.00 0.00 0.00 179.25 180.42 2jml h ILE 68 N 0.00 0.69 -0.68 0.00 2.04 -1.59 -0.53 117.51 117.44 2jml h ILE 68 Ca -0.00 -0.38 0.08 0.00 1.00 0.00 0.00 64.86 65.55 2jml h ILE 68 Cb 0.95 0.89 -0.06 0.00 -0.74 0.00 0.00 36.82 37.85 2jml h ILE 68 CO 0.05 0.08 0.36 0.00 0.00 0.00 0.00 178.15 178.63 2jml h ALA 69 N -0.06 0.92 0.13 1.87 0.00 -0.41 0.62 119.26 122.35 2jml h ALA 69 Ca -0.05 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jml h ALA 69 Cb 0.46 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2jml h ALA 69 CO 0.07 -0.01 -0.23 1.96 0.00 0.00 0.00 179.25 181.05 2jml h GLN 70 N 0.63 -0.37 0.00 0.00 4.20 -0.64 0.38 115.11 119.31 2jml h GLN 70 Ca 0.32 0.03 -0.01 0.00 0.06 0.00 0.00 58.65 59.05 2jml h GLN 70 Cb 0.28 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 2jml h GLN 70 CO -0.23 -0.25 -0.03 -0.24 -0.67 0.00 0.00 178.83 177.41 2jml h VAL 71 N -0.39 0.25 0.01 -0.54 3.04 -0.84 0.22 116.25 118.01 2jml h VAL 71 Ca -0.01 -0.24 -0.23 0.00 -1.01 0.00 0.00 66.70 65.21 2jml h VAL 71 Cb 0.36 1.18 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 2jml h VAL 71 CO -0.08 0.03 -0.96 0.11 -1.01 0.00 0.00 177.57 175.67 2jml h LYS 72 N 0.00 0.40 0.00 4.17 1.57 -0.73 -3.34 116.57 118.64 2jml h LYS 72 Ca -0.00 -0.44 -0.22 0.00 -1.87 0.00 0.00 60.65 58.12 2jml h LYS 72 Cb 0.18 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 2jml h LYS 72 CO 0.00 1.11 -1.15 0.00 -0.57 0.00 0.00 179.45 178.84 2jml h THR 73 N 0.22 1.33 -4.17 -0.16 1.03 0.54 -3.47 112.91 108.24 2jml h THR 73 Ca -0.08 -3.03 -0.51 0.00 -0.01 0.00 0.00 66.41 62.78 2jml h THR 73 Cb 1.60 2.65 0.10 0.00 -1.07 0.00 0.00 68.15 71.43 2jml h THR 73 CO 0.17 0.76 0.39 -1.61 -0.01 0.00 0.00 175.52 175.21 2jml s GLU 74 N -2.72 2.83 0.15 0.00 2.02 0.63 -5.02 118.70 116.59 2jml s GLU 74 Ca -0.00 1.49 -0.30 0.00 0.02 0.00 0.00 54.97 56.17 2jml s GLU 74 Cb 0.09 -1.95 -0.07 0.00 0.10 0.00 0.00 34.13 32.30 2jml s GLU 74 CO 0.81 -1.24 1.21 -1.25 0.02 0.00 0.00 175.26 174.81 2jml s PRO 75 N -3.89 4.47 -1.04 0.39 0.04 -1.26 -4.90 135.00 128.81 2jml s PRO 75 Ca 0.69 1.86 -0.20 0.00 0.04 0.00 0.00 61.00 63.39 2jml s PRO 75 Cb -0.22 -3.27 -0.08 0.00 0.04 0.00 0.00 34.50 30.97 2jml s PRO 75 CO 0.39 -0.15 1.99 -0.35 0.04 0.00 0.00 177.00 178.93 2jml n PRO 76 N 2.92 1.98 -3.53 0.56 -0.04 -1.26 -4.74 135.00 130.90 2jml n PRO 76 Ca 0.06 -2.22 -0.04 0.00 -0.04 0.00 0.00 63.50 61.26 2jml n PRO 76 Cb 0.45 -3.15 -0.06 0.00 -0.04 0.00 0.00 33.50 30.70 2jml n PRO 76 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2jml s ARG 77 N 4.66 0.46 0.00 0.54 6.06 -1.26 -5.22 118.95 124.18 2jml s ARG 77 Ca 0.56 1.11 0.30 0.00 -2.50 0.00 0.00 55.73 55.20 2jml s ARG 77 Cb 0.12 0.45 1.78 0.00 0.06 0.00 0.00 34.95 37.37 2jml s ARG 77 CO 0.06 -0.35 2.12 -1.91 -2.50 0.00 0.00 175.30 172.72