#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 0.01 0.20 1.61 0.15 -1.26 -5.19 113.70 109.23 2jml s SER -1 Ca 0.00 -1.06 -0.23 0.00 0.70 0.00 0.00 55.95 55.36 2jml s SER -1 Cb 0.00 0.54 0.06 0.00 -1.71 0.00 0.00 66.02 64.91 2jml s SER -1 CO 0.00 -1.07 0.95 -1.38 1.20 0.00 0.00 173.24 172.93 2jml s HIS 0 N -4.01 -0.03 -0.00 3.44 0.00 -1.26 -5.22 115.29 108.20 2jml s HIS 0 Ca 0.27 -0.36 -0.21 0.00 -3.00 0.00 0.00 55.06 51.76 2jml s HIS 0 Cb 0.01 0.69 0.04 0.00 -4.00 0.00 0.00 32.58 29.32 2jml s HIS 0 CO 0.10 -0.99 0.45 1.41 -1.00 0.00 0.00 174.74 174.72 2jml s MET 1 N -2.83 0.87 -0.05 -0.38 -2.45 -1.26 -5.16 119.30 108.04 2jml s MET 1 Ca 0.16 -0.13 -0.13 0.00 -1.25 0.00 0.00 55.69 54.34 2jml s MET 1 Cb -0.03 0.40 0.02 0.00 1.25 0.00 0.00 34.83 36.48 2jml s MET 1 CO 0.05 -0.28 0.30 0.95 1.05 0.00 0.00 175.02 177.10 2jml s THR 2 N -1.71 0.04 0.30 10.11 -4.23 -1.26 -3.52 115.64 115.36 2jml s THR 2 Ca -0.10 -0.32 -0.04 0.00 -1.18 0.00 0.00 61.69 60.05 2jml s THR 2 Cb -0.02 -0.55 -0.01 0.00 1.34 0.00 0.00 72.50 73.27 2jml s THR 2 CO 0.03 -0.17 0.42 -0.76 -0.54 0.00 0.00 174.62 173.60 2jml s LEU 3 N -0.79 0.92 0.59 4.79 1.02 -0.34 -4.95 118.68 119.92 2jml s LEU 3 Ca -0.09 -1.37 -0.02 0.00 0.02 0.00 0.00 54.13 52.67 2jml s LEU 3 Cb -0.04 1.35 0.03 0.00 0.02 0.00 0.00 46.19 47.54 2jml s LEU 3 CO 0.03 -1.19 0.85 -0.13 0.02 0.00 0.00 176.35 175.92 2jml s ARG 4 N -3.42 2.59 0.41 1.70 0.52 -1.26 0.05 118.95 119.53 2jml s ARG 4 Ca 0.30 -0.44 0.13 0.00 -0.52 0.00 0.00 55.73 55.20 2jml s ARG 4 Cb 0.01 -2.37 0.97 0.00 0.52 0.00 0.00 34.95 34.08 2jml s ARG 4 CO 0.17 -0.80 1.92 0.97 0.02 0.00 0.00 175.30 177.58 2jml h ILE 5 N -0.12 0.83 -0.62 1.52 2.10 -1.95 -1.54 117.51 117.74 2jml h ILE 5 Ca -0.44 -0.17 0.10 0.00 1.08 0.00 0.00 64.86 65.43 2jml h ILE 5 Cb 1.29 0.28 -0.08 0.00 -1.09 0.00 0.00 36.82 37.22 2jml h ILE 5 CO 0.57 0.09 0.22 0.03 -1.08 0.00 0.00 178.15 177.98 2jml h ARG 6 N 0.51 0.38 -0.35 2.19 -0.00 -1.95 0.14 114.38 115.30 2jml h ARG 6 Ca 0.37 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.98 59.79 2jml h ARG 6 Cb 0.74 -0.08 -0.01 0.00 0.00 0.00 0.00 29.97 30.61 2jml h ARG 6 CO -0.13 0.25 0.06 1.15 0.00 0.00 0.00 179.97 181.30 2jml h THR 7 N 0.39 1.23 -0.25 2.04 2.02 -1.67 0.29 112.91 116.96 2jml h THR 7 Ca 0.32 -0.82 -0.02 0.00 0.77 0.00 0.00 66.41 66.66 2jml h THR 7 Cb 0.42 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 2jml h THR 7 CO -0.33 0.28 0.08 0.40 0.37 0.00 0.00 175.52 176.32 2jml h ILE 8 N 0.42 1.19 -0.54 3.11 2.04 -1.20 -2.97 117.51 119.56 2jml h ILE 8 Ca 0.11 -0.61 -0.00 0.00 1.00 0.00 0.00 64.86 65.36 2jml h ILE 8 Cb 0.35 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 2jml h ILE 8 CO 0.01 0.20 0.33 0.00 0.00 0.00 0.00 178.15 178.69 2jml h ALA 9 N 0.91 0.69 0.00 1.87 0.00 -0.72 -2.93 119.26 119.08 2jml h ALA 9 Ca 0.08 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2jml h ALA 9 Cb 0.23 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2jml h ALA 9 CO -0.00 0.16 0.52 0.00 0.00 0.00 0.00 179.25 179.93 2jml h ARG 10 N 0.73 0.00 -0.63 0.00 2.47 -0.76 0.27 114.38 116.45 2jml h ARG 10 Ca 0.19 0.00 0.11 0.00 -1.26 0.00 0.00 59.98 59.03 2jml h ARG 10 Cb -0.03 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 28.21 2jml h ARG 10 CO -0.04 0.00 0.18 0.52 0.56 0.00 0.00 179.97 181.19 2jml h MET 11 N 0.00 0.31 0.00 0.04 2.86 -1.52 -3.41 114.93 113.21 2jml h MET 11 Ca 0.00 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2jml h MET 11 Cb 1.03 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.62 2jml h MET 11 CO 0.00 0.20 0.00 0.25 1.06 0.00 0.00 176.91 178.42 2jml n THR 12 N -5.08 0.00 0.00 2.22 -2.24 -0.47 -5.05 114.28 103.66 2jml n THR 12 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 2jml n THR 12 Cb 0.33 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 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 0.56 0.39 3.38 0.00 0.83 -4.68 105.19 105.67 2jml n GLY 13 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 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 0.75 0.00 -0.61 -0.00 -1.97 0.10 117.51 115.78 2jml h ILE 14 Ca 0.00 -0.13 -0.05 0.00 -0.00 0.00 0.00 64.86 64.69 2jml h ILE 14 Cb 0.00 0.35 -0.01 0.00 -0.00 0.00 0.00 36.82 37.16 2jml h ILE 14 CO 0.00 0.07 -0.23 0.03 -0.00 0.00 0.00 178.15 178.02 2jml h ARG 15 N 0.37 0.00 -0.83 0.16 3.08 -1.85 -3.30 114.38 112.00 2jml h ARG 15 Ca 0.39 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.49 2jml h ARG 15 Cb 0.99 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.98 2jml h ARG 15 CO -0.12 0.23 0.52 1.49 -1.07 0.00 0.00 179.97 181.01 2jml h GLU 16 N 0.00 0.94 -0.22 0.04 4.81 -1.08 0.26 114.58 119.33 2jml h GLU 16 Ca -0.00 -0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.23 2jml h GLU 16 Cb 0.45 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 2jml h GLU 16 CO 0.03 0.62 0.20 0.00 -0.73 0.00 0.00 179.01 179.13 2jml h ALA 17 N 1.38 1.94 0.05 2.92 0.00 -1.74 0.10 119.26 123.92 2jml h ALA 17 Ca 0.35 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.93 2jml h ALA 17 Cb 0.11 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2jml h ALA 17 CO -0.15 -0.31 -1.78 2.41 0.00 0.00 0.00 179.25 179.42 2jml n THR 18 N -4.00 1.64 0.20 0.00 -1.04 0.11 -3.38 114.28 107.82 2jml n THR 18 Ca 0.02 -0.36 -0.15 0.00 -2.04 0.00 0.00 64.05 61.52 2jml n THR 18 Cb 0.34 -1.85 -0.07 0.00 -1.82 0.00 0.00 70.33 66.92 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 -0.48 -0.95 -1.65 -4.42 3.38 -0.22 0.41 115.31 111.40 2jml h LEU 19 Ca -0.43 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 2jml h LEU 19 Cb 1.68 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 42.76 2jml h LEU 19 CO -0.10 -0.48 -0.19 0.08 0.09 0.00 0.00 178.44 177.84 2jml h ARG 20 N -0.70 0.00 0.27 1.13 -0.00 -1.03 -2.67 114.38 111.39 2jml h ARG 20 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.95 2jml h ARG 20 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.62 2jml h ARG 20 CO -0.08 0.19 -0.13 0.00 -0.00 0.00 0.00 179.97 179.95 2jml h ALA 21 N 1.81 -0.36 -0.92 0.08 0.00 -1.48 -3.25 119.26 115.13 2jml h ALA 21 Ca -0.00 -0.17 0.20 0.00 0.00 0.00 0.00 54.91 54.93 2jml h ALA 21 Cb 0.36 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 2jml h ALA 21 CO 0.03 -0.55 0.60 -1.49 0.00 0.00 0.00 179.25 177.83 2jml h TRP 22 N -0.67 0.65 -1.12 0.00 6.55 -0.60 0.13 115.95 120.90 2jml h TRP 22 Ca -0.04 0.02 0.31 0.00 0.95 0.00 0.00 58.89 60.14 2jml h TRP 22 Cb 0.47 -0.20 -0.06 0.00 -0.86 0.00 0.00 29.16 28.51 2jml h TRP 22 CO 0.02 0.17 0.78 1.49 -1.05 0.00 0.00 178.44 179.85 2jml h GLU 23 N 0.49 0.13 -0.00 0.49 4.22 -1.52 0.37 114.58 118.75 2jml h GLU 23 Ca 0.49 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.92 2jml h GLU 23 Cb 1.10 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2jml h GLU 23 CO -0.21 0.09 -0.40 0.54 -2.18 0.00 0.00 179.01 176.85 2jml n ARG 24 N -4.35 4.11 -0.10 1.92 1.74 0.05 -4.49 116.66 115.54 2jml n ARG 24 Ca 0.25 -0.02 -0.10 0.00 -0.77 0.00 0.00 57.85 57.21 2jml n ARG 24 Cb 1.11 -0.91 -0.16 0.00 -1.02 0.00 0.00 32.46 31.48 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 -1.17 0.69 0.00 5.56 0.63 0.24 -4.91 116.66 117.69 2jml n ARG 25 Ca 0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 2jml n ARG 25 Cb 0.14 -1.53 0.00 0.00 0.45 0.00 0.00 32.46 31.52 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 -2.77 -0.17 0.00 -0.14 4.01 0.26 -4.99 117.16 113.36 2jml n TYR 26 Ca -0.33 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.41 2jml n TYR 26 Cb 1.15 0.06 0.00 0.00 -0.31 0.00 0.00 39.34 40.24 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 -0.24 2.25 3.77 2.72 0.00 0.10 -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 -2.22 3.40 0.27 1.61 5.36 -1.26 -2.78 117.98 122.36 2jml s PHE 28 Ca 0.00 1.66 -0.30 0.00 -0.96 0.00 0.00 56.93 57.33 2jml s PHE 28 Cb 0.00 -3.24 -0.10 0.00 -0.34 0.00 0.00 43.02 39.33 2jml s PHE 28 CO 0.00 -0.68 1.47 -1.25 -1.46 0.00 0.00 175.22 173.30 2jml s PRO 29 N -1.93 4.23 -0.18 10.12 0.04 -1.26 -4.44 135.00 141.59 2jml s PRO 29 Ca 0.51 2.37 -0.29 0.00 0.04 0.00 0.00 61.00 63.63 2jml s PRO 29 Cb -0.28 -3.08 -0.00 0.00 0.04 0.00 0.00 34.50 31.18 2jml s PRO 29 CO 0.36 -0.46 1.02 0.50 0.04 0.00 0.00 177.00 178.46 2jml s ARG 30 N -0.57 4.33 -0.33 4.56 3.52 -1.12 -4.95 118.95 124.39 2jml s ARG 30 Ca 0.59 1.36 -0.28 0.00 -0.13 0.00 0.00 55.73 57.27 2jml s ARG 30 Cb -0.43 -3.60 -0.02 0.00 -1.56 0.00 0.00 34.95 29.34 2jml s ARG 30 CO 0.46 -0.49 1.83 -1.25 -0.81 0.00 0.00 175.30 175.05 2jml s PRO 31 N 2.66 3.29 0.97 5.12 0.04 -1.26 -4.92 135.00 140.89 2jml s PRO 31 Ca 0.46 1.44 -0.11 0.00 0.04 0.00 0.00 61.00 62.83 2jml s PRO 31 Cb -0.16 -4.22 0.17 0.00 0.04 0.00 0.00 34.50 30.33 2jml s PRO 31 CO 0.11 -1.91 1.10 -0.48 0.04 0.00 0.00 177.00 175.86 2jml s LEU 32 N 7.09 2.24 0.09 -3.56 2.34 -1.21 -4.94 118.68 120.74 2jml s LEU 32 Ca 0.81 1.89 -0.36 0.00 0.06 0.00 0.00 54.13 56.52 2jml s LEU 32 Cb -0.23 -4.17 -0.17 0.00 -0.56 0.00 0.00 46.19 41.06 2jml s LEU 32 CO 0.33 -3.26 1.31 0.54 -1.06 0.00 0.00 176.35 174.21 2jml n ARG 33 N -4.32 1.09 -4.41 1.48 5.12 -1.26 -4.56 116.66 109.80 2jml n ARG 33 Ca 0.09 0.39 -0.21 0.00 -1.93 0.00 0.00 57.85 56.19 2jml n ARG 33 Cb 0.53 -2.01 -0.09 0.00 -1.16 0.00 0.00 32.46 29.73 2jml n ARG 33 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2jml s SER 34 N 0.40 2.07 1.07 0.55 1.04 -1.26 -4.95 113.70 112.63 2jml s SER 34 Ca 0.83 -1.57 -0.11 0.00 0.48 0.00 0.00 55.95 55.59 2jml s SER 34 Cb -0.96 0.35 0.15 0.00 0.10 0.00 0.00 66.02 65.67 2jml s SER 34 CO 0.48 -0.86 0.69 1.21 0.98 0.00 0.00 173.24 175.74 2jml n GLU 35 N -0.70 -1.52 0.09 4.02 2.13 -1.26 -5.01 120.64 118.39 2jml n GLU 35 Ca -0.02 -1.08 -0.04 0.00 0.66 0.00 0.00 57.16 56.69 2jml n GLU 35 Cb 0.65 -0.86 -0.02 0.00 0.27 0.00 0.00 31.44 31.48 2jml n GLU 35 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2jml h GLY 36 N -1.40 -0.27 1.70 8.31 0.00 -2.02 -3.31 103.07 106.08 2jml h GLY 36 Ca -0.24 0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.19 2jml h GLY 36 CO 0.16 -0.10 -0.07 0.70 0.00 0.00 0.00 176.54 177.24 2jml n ASN 37 N -3.30 0.10 -4.34 0.19 3.02 -1.26 -4.89 115.26 104.77 2jml n ASN 37 Ca -0.03 0.18 -0.29 0.00 -0.03 0.00 0.00 54.58 54.41 2jml n ASN 37 Cb 0.10 -0.33 0.20 0.00 -0.61 0.00 0.00 39.78 39.14 2jml n ASN 37 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2jml s ASN 38 N -2.86 1.88 0.29 6.41 3.04 -1.25 -5.09 114.94 117.36 2jml s ASN 38 Ca 0.18 0.96 0.11 0.00 0.04 0.00 0.00 52.86 54.15 2jml s ASN 38 Cb 0.19 -1.46 -0.05 0.00 -1.54 0.00 0.00 41.25 38.39 2jml s ASN 38 CO 0.53 -3.57 -0.17 -0.31 -3.04 0.00 0.00 177.10 170.54 2jml s TYR 39 N -2.98 2.34 0.26 0.43 2.02 -1.26 -4.77 117.35 113.38 2jml s TYR 39 Ca 0.68 -0.34 -0.31 0.00 -0.37 0.00 0.00 57.07 56.72 2jml s TYR 39 Cb -0.15 -1.06 -0.12 0.00 -0.40 0.00 0.00 41.96 40.23 2jml s TYR 39 CO 0.57 0.69 1.64 0.54 -1.57 0.00 0.00 175.55 177.42 2jml n ARG 40 N -0.67 2.69 -4.37 -0.62 3.00 -1.26 -4.83 116.66 110.61 2jml n ARG 40 Ca -0.05 0.96 -0.19 0.00 -0.01 0.00 0.00 57.85 58.56 2jml n ARG 40 Cb 0.60 -2.77 -0.10 0.00 0.00 0.00 0.00 32.46 30.19 2jml n ARG 40 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2jml s VAL 41 N 0.46 1.20 0.06 1.55 -7.23 -1.26 -4.29 120.40 110.88 2jml s VAL 41 Ca 0.69 -2.05 -0.00 0.00 -1.81 0.00 0.00 61.98 58.81 2jml s VAL 41 Cb -0.51 -2.45 -0.04 0.00 0.56 0.00 0.00 36.38 33.95 2jml s VAL 41 CO 0.42 -0.26 -0.04 -0.31 -0.31 0.00 0.00 175.10 174.60 2jml s TYR 42 N -3.31 0.60 0.30 2.82 2.02 0.11 -3.30 117.35 116.59 2jml s TYR 42 Ca 0.30 -0.95 0.06 0.00 -0.37 0.00 0.00 57.07 56.11 2jml s TYR 42 Cb 0.06 -0.40 -0.02 0.00 -0.40 0.00 0.00 41.96 41.20 2jml s TYR 42 CO 0.11 -0.29 0.43 -1.12 -1.57 0.00 0.00 175.55 173.11 2jml s SER 43 N -2.75 6.11 0.32 2.29 0.01 -1.26 -1.20 113.70 117.22 2jml s SER 43 Ca 0.05 -0.08 0.06 0.00 1.31 0.00 0.00 55.95 57.29 2jml s SER 43 Cb 0.05 -1.48 0.73 0.00 0.21 0.00 0.00 66.02 65.52 2jml s SER 43 CO -0.07 -0.29 1.84 -0.09 0.41 0.00 0.00 173.24 175.03 2jml h ARG 44 N 0.99 0.78 -0.11 12.44 9.65 -1.97 -0.22 114.38 135.93 2jml h ARG 44 Ca -0.48 -0.05 0.03 0.00 -1.10 0.00 0.00 59.98 58.38 2jml h ARG 44 Cb 1.25 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 29.62 2jml h ARG 44 CO 0.56 0.51 -0.09 1.05 2.80 0.00 0.00 179.97 184.80 2jml h GLU 45 N 0.80 -0.10 -0.42 0.20 4.11 -1.96 0.94 114.58 118.15 2jml h GLU 45 Ca 0.50 0.01 -0.08 0.00 0.07 0.00 0.00 59.36 59.85 2jml h GLU 45 Cb 0.71 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.97 2jml h GLU 45 CO -0.26 -0.07 -0.04 0.93 0.07 0.00 0.00 179.01 179.63 2jml h GLU 46 N -0.11 0.78 -0.20 1.06 4.39 -1.80 -2.33 114.58 116.36 2jml h GLU 46 Ca 0.07 -0.27 0.05 0.00 0.34 0.00 0.00 59.36 59.56 2jml h GLU 46 Cb 0.22 -0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 28.75 2jml h GLU 46 CO -0.18 0.87 -0.18 0.28 -1.16 0.00 0.00 179.01 178.64 2jml h VAL 47 N 0.61 0.51 -0.51 3.13 2.07 -0.79 0.18 116.25 121.45 2jml h VAL 47 Ca 0.11 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.60 2jml h VAL 47 Cb 0.55 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2jml h VAL 47 CO 0.03 0.00 0.20 1.05 0.02 0.00 0.00 177.57 178.87 2jml h GLU 48 N -0.20 0.76 0.45 1.57 4.11 -0.77 0.16 114.58 120.66 2jml h GLU 48 Ca 0.12 -0.14 -0.01 0.00 0.07 0.00 0.00 59.36 59.40 2jml h GLU 48 Cb 0.38 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2jml h GLU 48 CO -0.32 0.68 -0.36 0.00 0.07 0.00 0.00 179.01 179.08 2jml h ALA 49 N 1.04 -0.84 -0.41 1.06 0.00 -1.17 -0.29 119.26 118.66 2jml h ALA 49 Ca 0.17 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.99 2jml h ALA 49 Cb 0.21 0.49 -0.05 0.00 0.00 0.00 0.00 17.79 18.44 2jml h ALA 49 CO -0.01 -1.00 0.09 0.28 0.00 0.00 0.00 179.25 178.60 2jml h VAL 50 N -0.81 0.80 -0.94 0.00 2.07 -0.59 0.12 116.25 116.90 2jml h VAL 50 Ca -0.04 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.41 2jml h VAL 50 Cb 0.70 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.98 2jml h VAL 50 CO -0.01 0.04 0.62 -0.09 0.02 0.00 0.00 177.57 178.15 2jml h ARG 51 N 0.22 1.23 0.54 1.57 1.12 -0.55 0.16 114.38 118.66 2jml h ARG 51 Ca 0.20 -0.07 -0.03 0.00 -1.11 0.00 0.00 59.98 58.96 2jml h ARG 51 Cb 0.23 -0.28 0.01 0.00 -0.01 0.00 0.00 29.97 29.92 2jml h ARG 51 CO -0.25 0.81 -0.26 -0.09 -3.11 0.00 0.00 179.97 177.07 2jml h ARG 52 N 1.27 -0.70 -0.52 0.20 9.65 -0.35 -2.29 114.38 121.63 2jml h ARG 52 Ca 0.34 0.05 0.11 0.00 -1.10 0.00 0.00 59.98 59.38 2jml h ARG 52 Cb -0.14 0.16 -0.10 0.00 -1.39 0.00 0.00 29.97 28.50 2jml h ARG 52 CO -0.08 -0.41 -0.10 0.28 2.80 0.00 0.00 179.97 182.46 2jml h VAL 53 N -0.91 0.50 -0.49 0.20 2.07 -0.43 0.16 116.25 117.35 2jml h VAL 53 Ca -0.07 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.49 2jml h VAL 53 Cb 0.62 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 2jml h VAL 53 CO 0.12 0.00 0.21 0.00 0.02 0.00 0.00 177.57 177.93 2jml h ALA 54 N 1.51 0.61 -0.41 1.67 0.00 -0.76 0.14 119.26 122.02 2jml h ALA 54 Ca 0.25 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.09 2jml h ALA 54 Cb 0.39 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2jml h ALA 54 CO -0.52 -0.16 -0.21 -0.09 0.00 0.00 0.00 179.25 178.27 2jml h ARG 55 N 0.42 0.81 -0.83 0.00 1.12 -0.68 -2.66 114.38 112.56 2jml h ARG 55 Ca 0.22 -0.33 0.01 0.00 -1.11 0.00 0.00 59.98 58.77 2jml h ARG 55 Cb 0.18 -0.04 -0.04 0.00 -0.01 0.00 0.00 29.97 30.06 2jml h ARG 55 CO -0.19 0.95 0.54 -0.07 -3.11 0.00 0.00 179.97 178.09 2jml h LEU 56 N 0.71 0.97 -1.66 3.80 -0.00 -0.36 -2.56 115.31 116.21 2jml h LEU 56 Ca 0.10 -0.04 0.02 0.00 -0.00 0.00 0.00 57.88 57.97 2jml h LEU 56 Cb 0.73 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 41.13 2jml h LEU 56 CO 0.06 0.71 0.27 0.40 -0.00 0.00 0.00 178.44 179.88 2jml h ILE 57 N 1.13 1.05 0.00 1.22 2.04 -0.51 -0.04 117.51 122.40 2jml h ILE 57 Ca 0.30 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 66.01 2jml h ILE 57 Cb -0.11 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 2jml h ILE 57 CO -0.06 0.08 0.00 1.56 0.00 0.00 0.00 178.15 179.73 2jml h GLN 58 N 0.46 0.00 0.00 2.37 1.08 -1.11 -2.00 115.11 115.91 2jml h GLN 58 Ca 0.16 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.14 2jml h GLN 58 Cb 0.08 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.47 2jml h GLN 58 CO -0.04 0.00 -1.29 0.93 -0.95 0.00 0.00 178.83 177.48 2jml h GLU 59 N 0.00 0.00 0.00 1.46 5.08 -1.06 -3.47 114.58 116.59 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 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2jml h GLU 59 CO 0.00 0.58 0.00 -1.91 -1.00 0.00 0.00 179.01 176.68 2jml n GLU 60 N -3.11 0.00 0.00 2.33 0.00 -0.98 -5.07 120.64 113.81 2jml n GLU 60 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.08 2jml n GLU 60 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.37 2jml n GLU 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2jml n GLY 61 N -1.46 2.40 0.40 8.31 0.00 -0.79 -4.92 105.19 109.12 2jml n GLY 61 Ca 0.00 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.26 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 0.47 -0.45 0.99 5.85 -1.92 -0.04 115.31 120.20 2jml h LEU 62 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 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 0.02 0.21 -1.20 -0.34 0.00 0.00 178.44 177.13 2jml n SER 63 N -4.74 0.18 -0.00 1.25 7.64 -1.26 -0.89 113.62 115.80 2jml n SER 63 Ca 0.28 0.45 -0.03 0.00 1.01 0.00 0.00 58.87 60.58 2jml n SER 63 Cb 0.95 -0.43 -0.02 0.00 -1.01 0.00 0.00 64.21 63.70 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 0.08 0.44 2.07 -1.30 0.17 116.25 117.71 2jml h VAL 64 Ca 0.00 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.27 2jml h VAL 64 Cb 0.42 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 2jml h VAL 64 CO 0.00 0.00 -1.11 -1.28 0.02 0.00 0.00 177.57 175.20 2jml h SER 65 N -0.12 0.45 0.47 0.57 0.87 -1.25 -3.15 113.55 111.39 2jml h SER 65 Ca 0.01 -0.43 -0.02 0.00 -1.23 0.00 0.00 61.79 60.12 2jml h SER 65 Cb 0.13 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2jml h SER 65 CO -0.08 1.28 -0.23 -0.08 -0.53 0.00 0.00 176.83 177.19 2jml h GLU 66 N 0.13 -0.61 0.00 2.24 4.81 -1.11 -0.11 114.58 119.93 2jml h GLU 66 Ca -0.11 0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.11 2jml h GLU 66 Cb 1.80 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 31.31 2jml h GLU 66 CO 0.18 -0.31 -0.27 0.00 -0.73 0.00 0.00 179.01 177.89 2jml h ALA 67 N -0.60 0.92 0.56 2.92 0.00 -1.12 0.28 119.26 122.22 2jml h ALA 67 Ca -0.07 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 2jml h ALA 67 Cb 0.59 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.34 2jml h ALA 67 CO 0.11 0.34 -0.27 0.82 0.00 0.00 0.00 179.25 180.25 2jml h ILE 68 N 0.00 0.32 -0.82 0.00 2.04 -1.60 0.89 117.51 118.34 2jml h ILE 68 Ca -0.00 -0.34 0.07 0.00 1.00 0.00 0.00 64.86 65.59 2jml h ILE 68 Cb 0.94 0.43 -0.06 0.00 -0.74 0.00 0.00 36.82 37.39 2jml h ILE 68 CO 0.04 0.04 0.49 0.00 0.00 0.00 0.00 178.15 178.72 2jml h ALA 69 N -0.73 1.13 0.32 1.87 0.00 -0.71 0.41 119.26 121.56 2jml h ALA 69 Ca -0.08 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2jml h ALA 69 Cb 0.64 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2jml h ALA 69 CO 0.13 0.19 -0.26 1.96 0.00 0.00 0.00 179.25 181.27 2jml h GLN 70 N 0.88 -0.54 -0.01 0.00 4.20 -0.51 0.39 115.11 119.53 2jml h GLN 70 Ca 0.37 0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.12 2jml h GLN 70 Cb 0.23 0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 2jml h GLN 70 CO -0.20 -0.36 0.01 -0.24 -0.67 0.00 0.00 178.83 177.37 2jml h VAL 71 N -0.56 0.43 0.00 -0.54 3.04 -0.42 0.47 116.25 118.67 2jml h VAL 71 Ca -0.04 0.00 -0.14 0.00 -1.01 0.00 0.00 66.70 65.51 2jml h VAL 71 Cb 0.47 0.99 -0.02 0.00 -2.01 0.00 0.00 31.29 30.72 2jml h VAL 71 CO 0.00 0.00 -0.84 0.11 -1.01 0.00 0.00 177.57 175.83 2jml h LYS 72 N 0.00 0.00 0.00 4.17 1.57 -0.85 -3.36 116.57 118.10 2jml h LYS 72 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jml h LYS 72 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2jml h LYS 72 CO -0.00 0.52 -1.73 -2.37 -0.57 0.00 0.00 179.45 175.30 2jml n THR 73 N -3.15 0.09 -1.68 -0.16 5.66 0.12 -4.97 114.28 110.18 2jml n THR 73 Ca -0.02 -0.45 -0.37 0.00 -3.05 0.00 0.00 64.05 60.16 2jml n THR 73 Cb 0.80 0.06 0.06 0.00 -1.55 0.00 0.00 70.33 69.70 2jml n THR 73 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2jml n GLU 74 N -2.22 1.04 -2.54 1.09 -0.58 0.15 -5.01 120.64 112.57 2jml n GLU 74 Ca -0.02 0.41 -0.34 0.00 -0.42 0.00 0.00 57.16 56.79 2jml n GLU 74 Cb 0.54 -2.38 -0.04 0.00 -0.57 0.00 0.00 31.44 29.00 2jml n GLU 74 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2jml s PRO 75 N -3.08 3.84 0.49 3.49 0.04 -1.26 -4.98 135.00 133.53 2jml s PRO 75 Ca 0.79 1.28 -0.22 0.00 0.04 0.00 0.00 61.00 62.89 2jml s PRO 75 Cb -0.40 -2.11 -0.07 0.00 0.04 0.00 0.00 34.50 31.97 2jml s PRO 75 CO 0.43 -0.38 1.21 -1.25 0.04 0.00 0.00 177.00 177.05 2jml s PRO 76 N -3.35 3.58 -0.30 0.56 0.04 -1.26 -5.04 135.00 129.23 2jml s PRO 76 Ca 0.65 1.89 -0.11 0.00 0.04 0.00 0.00 61.00 63.47 2jml s PRO 76 Cb -0.15 -2.35 0.13 0.00 0.04 0.00 0.00 34.50 32.17 2jml s PRO 76 CO 0.21 -0.73 0.70 0.50 0.04 0.00 0.00 177.00 177.72 2jml s ARG 77 N -2.77 0.55 0.00 4.56 3.52 -1.26 -5.31 118.95 118.24 2jml s ARG 77 Ca 0.66 1.35 0.31 0.00 -0.13 0.00 0.00 55.73 57.92 2jml s ARG 77 Cb -0.31 0.77 1.78 0.00 -1.56 0.00 0.00 34.95 35.62 2jml s ARG 77 CO 0.38 -0.18 2.15 -1.91 -0.81 0.00 0.00 175.30 174.93