#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 -3.65 1.61 7.64 -1.26 -5.22 113.62 112.74 2jml n SER -1 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 2jml n SER -1 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 2jml n SER -1 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2jml s HIS 0 N -2.00 0.14 0.23 1.43 0.00 -1.26 -5.21 115.29 108.62 2jml s HIS 0 Ca 0.00 -0.60 -0.13 0.00 -3.00 0.00 0.00 55.06 51.33 2jml s HIS 0 Cb 0.00 0.52 0.00 0.00 -4.00 0.00 0.00 32.58 29.10 2jml s HIS 0 CO 0.00 -1.23 0.46 -1.64 -1.00 0.00 0.00 174.74 171.33 2jml s MET 1 N -3.54 1.46 -0.01 -0.38 1.00 -1.26 -5.20 119.30 111.38 2jml s MET 1 Ca 0.17 -1.17 -0.28 0.00 0.00 0.00 0.00 55.69 54.40 2jml s MET 1 Cb -0.04 0.47 0.09 0.00 0.00 0.00 0.00 34.83 35.35 2jml s MET 1 CO 0.10 -0.60 0.81 0.95 0.00 0.00 0.00 175.02 176.27 2jml s THR 2 N -3.99 0.00 0.39 2.05 -4.23 -1.26 -4.91 115.64 103.69 2jml s THR 2 Ca 0.19 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 60.75 2jml s THR 2 Cb -0.00 -1.00 -0.02 0.00 1.34 0.00 0.00 72.50 72.81 2jml s THR 2 CO 0.06 0.00 0.17 -0.76 -0.54 0.00 0.00 174.62 173.55 2jml s LEU 3 N -2.06 1.91 0.42 4.79 2.01 -1.21 -4.97 118.68 119.58 2jml s LEU 3 Ca 0.00 -1.71 0.02 0.00 0.01 0.00 0.00 54.13 52.45 2jml s LEU 3 Cb -0.01 0.09 -0.00 0.00 0.01 0.00 0.00 46.19 46.28 2jml s LEU 3 CO -0.05 -0.98 0.62 -0.13 1.01 0.00 0.00 176.35 176.82 2jml s ARG 4 N -3.63 3.07 0.53 1.70 1.81 -1.26 -0.35 118.95 120.81 2jml s ARG 4 Ca 0.28 -0.62 0.29 0.00 -1.72 0.00 0.00 55.73 53.95 2jml s ARG 4 Cb 0.02 -2.62 1.43 0.00 -0.45 0.00 0.00 34.95 33.33 2jml s ARG 4 CO 0.18 -0.20 1.93 0.97 -0.68 0.00 0.00 175.30 177.51 2jml h ILE 5 N 0.52 0.63 -0.96 1.52 6.09 -1.67 -0.86 117.51 122.78 2jml h ILE 5 Ca -0.46 -0.01 0.07 0.00 -1.37 0.00 0.00 64.86 63.09 2jml h ILE 5 Cb 1.25 0.62 -0.07 0.00 0.47 0.00 0.00 36.82 39.09 2jml h ILE 5 CO 0.56 0.00 0.61 -0.09 -3.07 0.00 0.00 178.15 176.17 2jml h ARG 6 N 0.02 1.08 -0.40 2.19 2.43 -1.95 0.15 114.38 117.90 2jml h ARG 6 Ca 0.36 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.39 2jml h ARG 6 Cb 1.40 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 2jml h ARG 6 CO -0.01 0.71 -0.04 1.15 -1.51 0.00 0.00 179.97 180.27 2jml h THR 7 N 1.11 1.27 0.00 0.20 2.02 -1.55 -0.93 112.91 115.03 2jml h THR 7 Ca 0.42 -1.09 -0.00 0.00 0.77 0.00 0.00 66.41 66.50 2jml h THR 7 Cb 0.17 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2jml h THR 7 CO -0.17 0.37 -0.00 0.40 0.37 0.00 0.00 175.52 176.48 2jml h ILE 8 N 0.56 1.08 -0.52 3.11 2.04 -1.28 -2.98 117.51 119.52 2jml h ILE 8 Ca 0.11 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.73 2jml h ILE 8 Cb 0.54 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 2jml h ILE 8 CO 0.03 0.06 0.34 0.00 0.00 0.00 0.00 178.15 178.59 2jml h ALA 9 N 0.89 0.66 0.00 1.87 0.00 -0.76 -2.91 119.26 119.01 2jml h ALA 9 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jml h ALA 9 Cb 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2jml h ALA 9 CO 0.00 0.10 0.29 0.54 0.00 0.00 0.00 179.25 180.18 2jml n ARG 10 N -4.73 0.07 -0.08 0.00 5.12 -0.36 -0.18 116.66 116.50 2jml n ARG 10 Ca 0.03 0.50 0.17 0.00 -1.93 0.00 0.00 57.85 56.62 2jml n ARG 10 Cb 0.02 -2.00 0.60 0.00 -1.16 0.00 0.00 32.46 29.92 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 0.21 0.00 5.56 2.86 -1.51 -3.40 114.93 118.65 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 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.20 2jml h MET 11 CO 0.00 0.14 0.00 -2.37 1.06 0.00 0.00 176.91 175.74 2jml n THR 12 N -4.43 0.00 0.00 2.22 5.66 -0.31 -5.05 114.28 112.37 2jml n THR 12 Ca 0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.12 2jml n THR 12 Cb 0.55 0.10 0.00 0.00 -1.55 0.00 0.00 70.33 69.43 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 0.96 0.37 1.09 0.00 0.75 -4.70 105.19 103.65 2jml n GLY 13 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 0.95 0.00 -0.61 -0.00 -1.97 0.86 117.51 116.75 2jml h ILE 14 Ca 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 64.86 64.52 2jml h ILE 14 Cb 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 36.82 36.69 2jml h ILE 14 CO 0.00 0.18 0.00 0.08 -0.00 0.00 0.00 178.15 178.41 2jml h ARG 15 N 1.00 0.00 -0.78 0.16 0.11 -1.85 -3.09 114.38 109.92 2jml h ARG 15 Ca 0.47 0.00 0.02 0.00 0.10 0.00 0.00 59.98 60.57 2jml h ARG 15 Cb 0.43 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.47 2jml h ARG 15 CO -0.23 0.00 0.51 1.49 0.10 0.00 0.00 179.97 181.84 2jml h GLU 16 N 0.00 0.99 0.00 0.08 4.81 -1.10 0.18 114.58 119.53 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 0.13 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 2jml h GLU 16 CO 0.00 0.65 -0.02 0.00 -0.73 0.00 0.00 179.01 178.92 2jml h ALA 17 N 1.53 1.52 0.05 2.92 0.00 -1.71 0.07 119.26 123.64 2jml h ALA 17 Ca 0.29 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 55.01 2jml h ALA 17 Cb -0.07 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2jml h ALA 17 CO -0.07 0.02 -0.92 0.00 0.00 0.00 0.00 179.25 178.27 2jml h THR 18 N 0.00 1.25 0.28 0.00 1.03 -0.97 -3.05 112.91 111.45 2jml h THR 18 Ca -0.00 -2.33 0.00 0.00 -0.01 0.00 0.00 66.41 64.07 2jml h THR 18 Cb 0.04 2.80 -0.02 0.00 -1.07 0.00 0.00 68.15 69.89 2jml h THR 18 CO 0.00 0.56 -0.30 -0.07 -0.01 0.00 0.00 175.52 175.70 2jml h LEU 19 N -0.71 -0.83 -1.35 0.00 3.38 -0.48 0.11 115.31 115.44 2jml h LEU 19 Ca -0.22 0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 2jml h LEU 19 Cb 1.40 0.29 -0.01 0.00 0.09 0.00 0.00 40.66 42.43 2jml h LEU 19 CO -0.03 -0.43 -0.32 0.03 0.09 0.00 0.00 178.44 177.78 2jml h ARG 20 N -0.62 0.00 0.91 1.13 3.08 -1.20 -1.57 114.38 116.11 2jml h ARG 20 Ca -0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2jml h ARG 20 Cb 0.58 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.64 2jml h ARG 20 CO -0.08 0.32 -0.44 0.00 -1.07 0.00 0.00 179.97 178.71 2jml h ALA 21 N 1.68 -1.23 -0.78 0.04 0.00 -1.35 -3.26 119.26 114.35 2jml h ALA 21 Ca -0.00 -0.27 0.17 0.00 0.00 0.00 0.00 54.91 54.81 2jml h ALA 21 Cb 0.61 0.47 -0.05 0.00 0.00 0.00 0.00 17.79 18.82 2jml h ALA 21 CO 0.04 -1.14 0.53 -1.49 0.00 0.00 0.00 179.25 177.19 2jml h TRP 22 N -1.32 0.40 -0.92 0.00 6.55 -0.48 0.80 115.95 120.98 2jml h TRP 22 Ca -0.13 0.01 0.27 0.00 0.95 0.00 0.00 58.89 60.00 2jml h TRP 22 Cb 0.94 -0.13 -0.15 0.00 -0.86 0.00 0.00 29.16 28.96 2jml h TRP 22 CO 0.00 0.14 0.30 1.49 -1.05 0.00 0.00 178.44 179.32 2jml h GLU 23 N 0.33 0.19 0.00 0.49 4.81 -1.33 0.30 114.58 119.36 2jml h GLU 23 Ca 0.39 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 2jml h GLU 23 Cb 1.03 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.37 2jml h GLU 23 CO -0.11 0.13 -1.69 -2.13 -0.73 0.00 0.00 179.01 174.47 2jml n ARG 24 N -5.22 0.61 0.03 1.92 0.63 -0.05 -4.00 116.66 110.58 2jml n ARG 24 Ca 0.25 -0.14 -0.13 0.00 -0.92 0.00 0.00 57.85 56.90 2jml n ARG 24 Cb 0.79 -1.45 -0.14 0.00 0.45 0.00 0.00 32.46 32.11 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 0.13 0.00 -0.14 2.43 -0.24 -3.45 114.38 113.11 2jml h ARG 25 Ca 0.00 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 2jml h ARG 25 Cb 0.81 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 2jml h ARG 25 CO 0.00 0.91 0.00 0.66 -1.51 0.00 0.00 179.97 180.03 2jml n TYR 26 N -3.31 0.00 0.00 2.20 4.01 0.36 -5.00 117.16 115.42 2jml n TYR 26 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 2jml n TYR 26 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.06 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 0.32 0.51 3.83 2.72 0.00 0.77 -5.02 105.19 108.33 2jml n GLY 27 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 3.72 0.29 1.61 2.19 -1.26 -2.47 117.98 120.07 2jml s PHE 28 Ca 0.00 1.05 -0.29 0.00 0.33 0.00 0.00 56.93 58.02 2jml s PHE 28 Cb 0.00 -2.34 -0.10 0.00 -1.31 0.00 0.00 43.02 39.27 2jml s PHE 28 CO 0.00 0.59 1.27 -1.25 1.83 0.00 0.00 175.22 177.66 2jml s PRO 29 N -1.30 4.42 0.01 10.12 0.04 -1.26 -4.22 135.00 142.82 2jml s PRO 29 Ca 0.28 2.11 -0.30 0.00 0.04 0.00 0.00 61.00 63.12 2jml s PRO 29 Cb -0.17 -3.12 -0.05 0.00 0.04 0.00 0.00 34.50 31.21 2jml s PRO 29 CO 0.16 -0.13 1.22 -0.98 0.04 0.00 0.00 177.00 177.31 2jml s ARG 30 N -1.36 4.39 0.40 4.56 3.03 -1.03 -4.94 118.95 124.00 2jml s ARG 30 Ca 0.50 1.75 -0.26 0.00 2.03 0.00 0.00 55.73 59.75 2jml s ARG 30 Cb -0.38 -3.45 -0.09 0.00 -1.03 0.00 0.00 34.95 30.01 2jml s ARG 30 CO 0.47 -0.35 1.31 -1.25 -1.13 0.00 0.00 175.30 174.35 2jml s PRO 31 N 1.60 4.01 0.50 3.89 0.04 -1.26 -4.93 135.00 138.85 2jml s PRO 31 Ca 0.58 2.18 -0.22 0.00 0.04 0.00 0.00 61.00 63.58 2jml s PRO 31 Cb -0.28 -2.80 -0.06 0.00 0.04 0.00 0.00 34.50 31.40 2jml s PRO 31 CO 0.26 -0.46 1.26 -0.51 0.04 0.00 0.00 177.00 177.59 2jml s LEU 32 N -2.35 3.94 -1.01 -3.56 2.01 -0.55 -4.87 118.68 112.29 2jml s LEU 32 Ca 0.56 2.53 -0.21 0.00 0.01 0.00 0.00 54.13 57.01 2jml s LEU 32 Cb -0.39 -4.25 -0.10 0.00 0.01 0.00 0.00 46.19 41.47 2jml s LEU 32 CO 0.50 -1.22 1.94 -1.14 1.01 0.00 0.00 176.35 177.44 2jml n ARG 33 N -0.73 1.81 -3.90 1.70 0.63 -1.26 -4.79 116.66 110.12 2jml n ARG 33 Ca 0.09 -2.24 -0.11 0.00 -0.92 0.00 0.00 57.85 54.66 2jml n ARG 33 Cb 0.47 -3.26 0.01 0.00 0.45 0.00 0.00 32.46 30.12 2jml n ARG 33 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2jml n SER 34 N 9.64 -1.97 -4.71 6.15 7.64 -1.26 -5.17 113.62 123.93 2jml n SER 34 Ca 0.48 -2.74 -0.35 0.00 1.01 0.00 0.00 58.87 57.27 2jml n SER 34 Cb 0.43 3.40 0.10 0.00 -1.01 0.00 0.00 64.21 67.12 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 -2.37 2.02 0.00 1.43 -6.30 -1.26 -4.94 118.70 107.28 2jml s GLU 35 Ca 0.21 1.87 0.00 0.00 -2.50 0.00 0.00 54.97 54.55 2jml s GLU 35 Cb -0.03 -1.81 0.00 0.00 0.00 0.00 0.00 34.13 32.29 2jml s GLU 35 CO 0.16 -1.95 0.00 0.41 0.02 0.00 0.00 175.26 173.90 2jml n GLY 36 N 0.62 1.50 0.00 -1.50 0.00 -1.26 -4.63 105.19 99.93 2jml n GLY 36 Ca 0.14 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.05 1.61 5.15 -1.26 -4.42 115.26 116.39 2jml n ASN 37 Ca 0.00 0.81 -0.07 0.00 -0.60 0.00 0.00 54.58 54.73 2jml n ASN 37 Cb 0.00 -0.49 -0.11 0.00 -0.53 0.00 0.00 39.78 38.65 2jml n ASN 37 CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 2jml h ASN 38 N 0.00 0.00 -3.54 1.20 2.35 -2.03 -3.45 115.58 110.11 2jml h ASN 38 Ca 0.00 0.00 -0.67 0.00 -0.55 0.00 0.00 56.30 55.08 2jml h ASN 38 Cb 0.00 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.22 2jml h ASN 38 CO 0.00 0.97 -0.71 -0.31 -1.65 0.00 0.00 177.43 175.73 2jml s TYR 39 N -2.71 2.86 -0.05 1.19 2.02 -1.26 -5.13 117.35 114.26 2jml s TYR 39 Ca 0.00 -0.08 0.02 0.00 -0.37 0.00 0.00 57.07 56.65 2jml s TYR 39 Cb 0.10 -1.53 0.01 0.00 -0.40 0.00 0.00 41.96 40.14 2jml s TYR 39 CO 0.82 0.41 -0.10 1.03 -1.57 0.00 0.00 175.55 176.14 2jml s ARG 40 N -1.89 1.41 0.44 -0.62 1.81 -1.26 -4.25 118.95 114.59 2jml s ARG 40 Ca 0.21 -0.33 -0.21 0.00 -1.72 0.00 0.00 55.73 53.67 2jml s ARG 40 Cb -0.11 -1.22 -0.10 0.00 -0.45 0.00 0.00 34.95 33.07 2jml s ARG 40 CO 0.12 0.02 0.98 0.14 -0.68 0.00 0.00 175.30 175.88 2jml s VAL 41 N 0.65 4.16 0.08 3.52 -7.23 -1.26 -1.66 120.40 118.65 2jml s VAL 41 Ca -0.12 1.39 -0.04 0.00 -1.81 0.00 0.00 61.98 61.40 2jml s VAL 41 Cb -0.15 -3.59 -0.03 0.00 0.56 0.00 0.00 36.38 33.18 2jml s VAL 41 CO 0.03 -0.24 0.06 -0.31 -0.31 0.00 0.00 175.10 174.32 2jml s TYR 42 N -2.05 0.45 0.02 2.82 2.02 0.52 -1.48 117.35 119.66 2jml s TYR 42 Ca 0.62 -0.94 0.01 0.00 -0.37 0.00 0.00 57.07 56.39 2jml s TYR 42 Cb -0.13 -0.29 -0.04 0.00 -0.40 0.00 0.00 41.96 41.10 2jml s TYR 42 CO 0.17 -0.46 0.08 -1.54 -1.57 0.00 0.00 175.55 172.23 2jml s SER 43 N -2.92 5.64 0.33 2.29 1.04 -1.26 -3.30 113.70 115.52 2jml s SER 43 Ca 0.09 0.10 0.02 0.00 0.48 0.00 0.00 55.95 56.64 2jml s SER 43 Cb 0.07 -1.59 0.59 0.00 0.10 0.00 0.00 66.02 65.18 2jml s SER 43 CO -0.09 0.24 1.95 0.08 0.98 0.00 0.00 173.24 176.40 2jml h ARG 44 N 3.86 0.76 0.40 4.02 -0.00 -1.97 -0.75 114.38 120.70 2jml h ARG 44 Ca -0.48 -0.09 -0.01 0.00 -0.00 0.00 0.00 59.98 59.40 2jml h ARG 44 Cb 1.18 -0.15 -0.01 0.00 -0.00 0.00 0.00 29.97 30.99 2jml h ARG 44 CO 0.64 0.59 -0.29 1.05 -0.00 0.00 0.00 179.97 181.96 2jml h GLU 45 N 0.76 -0.65 -0.23 0.08 4.11 -1.96 -1.51 114.58 115.18 2jml h GLU 45 Ca 0.19 0.04 -0.12 0.00 0.07 0.00 0.00 59.36 59.54 2jml h GLU 45 Cb 0.07 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2jml h GLU 45 CO -0.03 -0.43 -0.37 1.05 0.07 0.00 0.00 179.01 179.29 2jml h GLU 46 N -0.68 0.52 -0.79 1.06 -0.00 -1.92 -2.58 114.58 110.19 2jml h GLU 46 Ca -0.04 -0.25 0.13 0.00 -0.00 0.00 0.00 59.36 59.20 2jml h GLU 46 Cb 0.58 -0.00 -0.06 0.00 -0.00 0.00 0.00 28.75 29.27 2jml h GLU 46 CO 0.01 0.82 0.52 0.28 -0.00 0.00 0.00 179.01 180.63 2jml h VAL 47 N 0.44 0.85 -0.32 -1.06 2.07 -1.06 -2.23 116.25 114.94 2jml h VAL 47 Ca 0.04 -0.20 0.06 0.00 0.82 0.00 0.00 66.70 67.43 2jml h VAL 47 Cb 0.85 0.23 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 2jml h VAL 47 CO 0.07 0.10 -0.03 -0.08 0.02 0.00 0.00 177.57 177.66 2jml h GLU 48 N 0.57 0.06 0.16 1.57 4.57 -0.85 0.31 114.58 120.98 2jml h GLU 48 Ca 0.38 -0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.57 2jml h GLU 48 Cb 0.68 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.23 2jml h GLU 48 CO -0.14 0.04 -0.26 0.00 -1.18 0.00 0.00 179.01 177.46 2jml h ALA 49 N 1.29 -0.47 -0.61 2.92 0.00 -1.51 -0.57 119.26 120.31 2jml h ALA 49 Ca 0.15 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.09 2jml h ALA 49 Cb 0.22 0.41 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 2jml h ALA 49 CO -0.28 -0.81 0.26 0.28 0.00 0.00 0.00 179.25 178.70 2jml h VAL 50 N -0.50 0.83 -0.68 0.00 2.07 -1.10 0.31 116.25 117.19 2jml h VAL 50 Ca 0.02 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2jml h VAL 50 Cb 0.50 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 2jml h VAL 50 CO -0.12 0.09 0.44 -0.09 0.02 0.00 0.00 177.57 177.91 2jml h ARG 51 N 0.47 0.90 0.28 1.57 1.12 -0.18 0.18 114.38 118.72 2jml h ARG 51 Ca 0.30 -0.06 -0.01 0.00 -1.11 0.00 0.00 59.98 59.09 2jml h ARG 51 Cb 0.32 -0.20 0.00 0.00 -0.01 0.00 0.00 29.97 30.08 2jml h ARG 51 CO -0.26 0.60 -0.14 -0.09 -3.11 0.00 0.00 179.97 176.97 2jml h ARG 52 N 0.92 -0.37 -0.11 0.20 2.43 -0.27 -2.82 114.38 114.36 2jml h ARG 52 Ca 0.25 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.47 2jml h ARG 52 Cb -0.09 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.48 2jml h ARG 52 CO -0.05 -0.08 -0.52 0.28 -1.51 0.00 0.00 179.97 178.09 2jml h VAL 53 N -0.64 0.03 -0.90 0.20 2.07 -0.20 0.10 116.25 116.91 2jml h VAL 53 Ca -0.04 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.64 2jml h VAL 53 Cb 0.45 0.03 -0.10 0.00 -1.52 0.00 0.00 31.29 30.16 2jml h VAL 53 CO 0.06 0.00 0.49 0.00 0.02 0.00 0.00 177.57 178.14 2jml h ALA 54 N -0.23 1.40 -0.42 1.67 0.00 -0.74 0.27 119.26 121.21 2jml h ALA 54 Ca 0.04 0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 2jml h ALA 54 Cb 0.68 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2jml h ALA 54 CO -0.42 -0.07 -0.28 -0.09 0.00 0.00 0.00 179.25 178.39 2jml h ARG 55 N 0.67 0.90 -0.49 0.00 2.43 -1.10 -2.83 114.38 113.96 2jml h ARG 55 Ca 0.50 -0.41 -0.07 0.00 -0.81 0.00 0.00 59.98 59.20 2jml h ARG 55 Cb 0.72 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 2jml h ARG 55 CO -0.37 1.06 0.03 -0.07 -1.51 0.00 0.00 179.97 179.11 2jml h LEU 56 N 0.76 0.75 -1.09 3.80 3.38 0.52 -2.48 115.31 120.96 2jml h LEU 56 Ca 0.09 -0.17 0.07 0.00 0.09 0.00 0.00 57.88 57.96 2jml h LEU 56 Cb 0.84 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 2jml h LEU 56 CO 0.07 0.80 0.62 0.40 0.09 0.00 0.00 178.44 180.41 2jml h ILE 57 N 0.74 1.07 0.00 1.22 5.03 -0.44 -1.64 117.51 123.49 2jml h ILE 57 Ca 0.15 -0.37 0.00 0.00 -0.12 0.00 0.00 64.86 64.52 2jml h ILE 57 Cb 0.40 -0.11 0.00 0.00 -3.03 0.00 0.00 36.82 34.08 2jml h ILE 57 CO 0.01 0.20 0.00 1.56 -0.68 0.00 0.00 178.15 179.24 2jml h GLN 58 N 1.08 0.00 0.09 2.37 1.08 -1.19 -1.72 115.11 116.82 2jml h GLN 58 Ca 0.41 0.00 -0.30 0.00 -1.45 0.00 0.00 58.65 57.31 2jml h GLN 58 Cb 0.20 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 2jml h GLN 58 CO -0.16 0.00 -1.55 0.93 -0.95 0.00 0.00 178.83 177.09 2jml h GLU 59 N 0.00 0.18 0.00 1.46 5.08 -1.34 -3.47 114.58 116.49 2jml h GLU 59 Ca 0.00 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 2jml h GLU 59 Cb 0.03 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2jml h GLU 59 CO 0.00 1.00 0.00 -1.91 -1.00 0.00 0.00 179.01 177.10 2jml n GLU 60 N -3.37 0.00 0.00 2.33 2.13 -0.93 -5.07 120.64 115.73 2jml n GLU 60 Ca -0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.66 2jml n GLU 60 Cb 1.04 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.75 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 -0.03 1.61 0.36 8.31 0.00 -0.69 -4.97 105.19 109.77 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 0.58 -0.37 0.99 5.85 -1.90 0.36 115.31 120.82 2jml h LEU 62 Ca 0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2jml h LEU 62 Cb 0.00 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.08 2jml h LEU 62 CO 0.00 0.05 0.11 -1.20 -0.34 0.00 0.00 178.44 177.06 2jml n SER 63 N -4.85 0.15 0.08 1.25 7.64 -1.26 -0.74 113.62 115.88 2jml n SER 63 Ca 0.28 0.49 -0.09 0.00 1.01 0.00 0.00 58.87 60.55 2jml n SER 63 Cb 0.84 -0.49 -0.05 0.00 -1.01 0.00 0.00 64.21 63.50 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 0.18 0.44 2.07 -1.25 -0.69 116.25 117.00 2jml h VAL 64 Ca 0.00 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.22 2jml h VAL 64 Cb 0.23 0.00 0.02 0.00 -1.52 0.00 0.00 31.29 30.02 2jml h VAL 64 CO 0.00 0.00 -1.34 -1.28 0.02 0.00 0.00 177.57 174.97 2jml h SER 65 N -0.44 0.62 0.15 0.57 0.87 -1.32 -3.26 113.55 110.74 2jml h SER 65 Ca -0.01 -0.65 -0.01 0.00 -1.23 0.00 0.00 61.79 59.89 2jml h SER 65 Cb 0.43 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2jml h SER 65 CO -0.14 1.51 -0.07 -0.08 -0.53 0.00 0.00 176.83 177.52 2jml h GLU 66 N 0.11 -0.19 0.00 2.24 4.57 -1.01 0.15 114.58 120.45 2jml h GLU 66 Ca -0.19 0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 57.93 2jml h GLU 66 Cb 2.05 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 30.67 2jml h GLU 66 CO 0.24 0.22 -0.36 0.00 -1.18 0.00 0.00 179.01 177.93 2jml h ALA 67 N 0.01 0.91 0.45 2.92 0.00 -1.32 0.30 119.26 122.54 2jml h ALA 67 Ca -0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2jml h ALA 67 Cb 0.51 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2jml h ALA 67 CO 0.03 0.45 -0.22 0.82 0.00 0.00 0.00 179.25 180.34 2jml h ILE 68 N 0.00 0.51 -0.93 0.00 2.04 -1.60 0.24 117.51 117.78 2jml h ILE 68 Ca -0.00 -0.33 0.07 0.00 1.00 0.00 0.00 64.86 65.59 2jml h ILE 68 Cb 1.00 0.66 -0.07 0.00 -0.74 0.00 0.00 36.82 37.67 2jml h ILE 68 CO 0.05 0.06 0.58 0.00 0.00 0.00 0.00 178.15 178.84 2jml h ALA 69 N -0.38 1.29 0.24 1.87 0.00 -0.63 0.11 119.26 121.76 2jml h ALA 69 Ca -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2jml h ALA 69 Cb 0.56 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2jml h ALA 69 CO 0.10 0.33 -0.18 1.96 0.00 0.00 0.00 179.25 181.46 2jml h GLN 70 N 1.05 -0.39 -0.04 0.00 4.20 -0.43 0.10 115.11 119.60 2jml h GLN 70 Ca 0.41 0.03 0.01 0.00 0.06 0.00 0.00 58.65 59.16 2jml h GLN 70 Cb 0.20 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 2jml h GLN 70 CO -0.18 -0.26 0.03 -0.24 -0.67 0.00 0.00 178.83 177.51 2jml h VAL 71 N -0.41 0.81 0.02 -0.54 3.04 -0.67 0.35 116.25 118.85 2jml h VAL 71 Ca -0.03 0.00 -0.21 0.00 -1.01 0.00 0.00 66.70 65.45 2jml h VAL 71 Cb 0.34 0.97 -0.01 0.00 -2.01 0.00 0.00 31.29 30.58 2jml h VAL 71 CO 0.01 0.00 -0.94 0.11 -1.01 0.00 0.00 177.57 175.73 2jml h LYS 72 N 0.00 0.17 0.00 4.17 1.57 -0.94 -3.32 116.57 118.22 2jml h LYS 72 Ca 0.02 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.51 2jml h LYS 72 Cb 0.09 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2jml h LYS 72 CO -0.00 0.99 -0.87 0.00 -0.57 0.00 0.00 179.45 179.00 2jml h THR 73 N 0.08 0.34 -4.24 -0.16 1.03 0.64 -3.47 112.91 107.14 2jml h THR 73 Ca -0.05 -1.57 -0.51 0.00 -0.01 0.00 0.00 66.41 64.27 2jml h THR 73 Cb 1.61 1.94 0.11 0.00 -1.07 0.00 0.00 68.15 70.74 2jml h THR 73 CO 0.14 0.19 0.36 -1.61 -0.01 0.00 0.00 175.52 174.59 2jml s GLU 74 N -3.12 2.62 0.46 0.00 2.02 0.11 -5.05 118.70 115.74 2jml s GLU 74 Ca 0.01 1.31 -0.22 0.00 0.02 0.00 0.00 54.97 56.10 2jml s GLU 74 Cb 0.08 -1.93 -0.08 0.00 0.10 0.00 0.00 34.13 32.30 2jml s GLU 74 CO 0.77 -1.38 1.06 -1.25 0.02 0.00 0.00 175.26 174.47 2jml s PRO 75 N -4.37 3.88 0.78 0.39 0.04 -1.26 -4.93 135.00 129.52 2jml s PRO 75 Ca 0.65 1.46 -0.11 0.00 0.04 0.00 0.00 61.00 63.04 2jml s PRO 75 Cb -0.19 -2.25 0.06 0.00 0.04 0.00 0.00 34.50 32.15 2jml s PRO 75 CO 0.46 -0.38 1.08 -1.25 0.04 0.00 0.00 177.00 176.96 2jml s PRO 76 N -2.97 2.25 -0.45 0.56 0.04 -1.26 -5.07 135.00 128.11 2jml s PRO 76 Ca 0.64 0.86 0.07 0.00 0.04 0.00 0.00 61.00 62.62 2jml s PRO 76 Cb -0.20 -1.92 0.18 0.00 0.04 0.00 0.00 34.50 32.61 2jml s PRO 76 CO 0.24 -1.56 0.65 0.50 0.04 0.00 0.00 177.00 176.87 2jml s ARG 77 N -5.04 0.90 0.00 4.56 3.00 -1.26 -5.29 118.95 115.83 2jml s ARG 77 Ca 0.60 -0.58 0.23 0.00 -1.00 0.00 0.00 55.73 54.98 2jml s ARG 77 Cb -0.15 -0.01 1.39 0.00 0.00 0.00 0.00 34.95 36.18 2jml s ARG 77 CO 0.55 -1.24 1.76 0.39 0.00 0.00 0.00 175.30 176.76