#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 -0.34 0.37 1.61 1.04 -1.26 -5.19 113.70 109.94 2jml s SER -1 Ca 0.00 0.27 -0.12 0.00 0.48 0.00 0.00 55.95 56.58 2jml s SER -1 Cb 0.00 0.39 0.04 0.00 0.10 0.00 0.00 66.02 66.55 2jml s SER -1 CO 0.00 -0.51 0.69 -1.00 0.98 0.00 0.00 173.24 173.40 2jml s HIS 0 N -1.35 0.39 0.32 5.02 0.09 -1.26 -5.22 115.29 113.28 2jml s HIS 0 Ca -0.12 -0.93 -0.18 0.00 -0.00 0.00 0.00 55.06 53.83 2jml s HIS 0 Cb -0.03 0.56 0.03 0.00 -0.00 0.00 0.00 32.58 33.14 2jml s HIS 0 CO 0.06 -1.43 0.71 -1.64 -0.00 0.00 0.00 174.74 172.44 2jml s MET 1 N -2.59 1.93 -0.05 1.40 1.00 -1.26 -5.21 119.30 114.52 2jml s MET 1 Ca 0.20 -1.20 -0.12 0.00 0.00 0.00 0.00 55.69 54.57 2jml s MET 1 Cb -0.04 0.60 0.02 0.00 0.00 0.00 0.00 34.83 35.41 2jml s MET 1 CO 0.14 -0.88 0.28 0.95 0.00 0.00 0.00 175.02 175.51 2jml s THR 2 N -3.34 0.04 -0.02 2.05 -4.23 -1.26 -4.97 115.64 103.90 2jml s THR 2 Ca 0.14 -0.30 -0.05 0.00 -1.18 0.00 0.00 61.69 60.30 2jml s THR 2 Cb -0.05 -0.51 0.00 0.00 1.34 0.00 0.00 72.50 73.29 2jml s THR 2 CO 0.09 -0.17 0.12 -0.76 -0.54 0.00 0.00 174.62 173.36 2jml s LEU 3 N -0.71 1.60 0.49 4.79 1.02 -1.23 -5.01 118.68 119.63 2jml s LEU 3 Ca -0.08 -0.01 0.07 0.00 0.02 0.00 0.00 54.13 54.13 2jml s LEU 3 Cb -0.04 0.51 0.02 0.00 0.02 0.00 0.00 46.19 46.70 2jml s LEU 3 CO 0.02 -0.21 0.48 0.00 0.02 0.00 0.00 176.35 176.67 2jml s ARG 4 N -0.69 2.41 0.23 1.70 1.70 -1.26 -0.03 118.95 123.01 2jml s ARG 4 Ca -0.08 -1.71 -0.07 0.00 -0.47 0.00 0.00 55.73 53.41 2jml s ARG 4 Cb -0.05 -2.36 0.27 0.00 -0.57 0.00 0.00 34.95 32.25 2jml s ARG 4 CO 0.01 -0.48 1.87 0.97 -1.08 0.00 0.00 175.30 176.59 2jml h ILE 5 N 0.74 1.12 0.00 4.99 6.09 -1.94 0.18 117.51 128.69 2jml h ILE 5 Ca -0.37 -0.36 0.00 0.00 -1.37 0.00 0.00 64.86 62.75 2jml h ILE 5 Cb 1.28 -0.03 0.00 0.00 0.47 0.00 0.00 36.82 38.54 2jml h ILE 5 CO 0.53 0.19 0.00 0.54 -3.07 0.00 0.00 178.15 176.35 2jml n ARG 6 N -4.56 0.08 -0.11 2.19 1.74 -1.26 -0.49 116.66 114.25 2jml n ARG 6 Ca 0.11 0.24 -0.20 0.00 -0.77 0.00 0.00 57.85 57.23 2jml n ARG 6 Cb 0.10 -1.50 -0.09 0.00 -1.02 0.00 0.00 32.46 29.95 2jml n ARG 6 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2jml n THR 7 N -1.30 1.28 0.26 0.55 -1.04 0.46 -3.98 114.28 110.51 2jml n THR 7 Ca 0.03 -0.41 -0.16 0.00 -2.04 0.00 0.00 64.05 61.46 2jml n THR 7 Cb 0.05 -1.53 -0.08 0.00 -1.82 0.00 0.00 70.33 66.96 2jml n THR 7 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2jml h ILE 8 N -0.38 0.38 -0.71 12.58 2.04 -0.76 -3.03 117.51 127.62 2jml h ILE 8 Ca -0.54 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.37 2jml h ILE 8 Cb 1.65 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 2jml h ILE 8 CO -0.21 0.00 0.47 0.00 0.00 0.00 0.00 178.15 178.41 2jml h ALA 9 N -0.24 1.68 0.00 1.87 0.00 -1.04 -1.76 119.26 119.76 2jml h ALA 9 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2jml h ALA 9 Cb 0.60 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2jml h ALA 9 CO 0.03 0.22 0.14 0.54 0.00 0.00 0.00 179.25 180.18 2jml n ARG 10 N -4.47 0.09 -0.32 0.00 1.74 -1.14 -0.12 116.66 112.43 2jml n ARG 10 Ca 0.10 0.56 0.08 0.00 -0.77 0.00 0.00 57.85 57.82 2jml n ARG 10 Cb 0.20 -1.94 0.25 0.00 -1.02 0.00 0.00 32.46 29.94 2jml n ARG 10 CO 0.00 0.00 0.00 0.52 -1.52 0.00 0.00 177.63 176.63 2jml h MET 11 N 0.00 0.73 0.00 5.56 2.86 -1.38 -3.40 114.93 119.30 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 0.28 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.78 2jml h MET 11 CO 0.00 0.48 0.00 0.25 1.06 0.00 0.00 176.91 178.70 2jml n THR 12 N -4.78 0.00 0.00 2.22 -2.24 -0.71 -5.05 114.28 103.72 2jml n THR 12 Ca 0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 2jml n THR 12 Cb 0.44 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 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 0.76 0.36 3.38 0.00 0.83 -4.68 105.19 105.84 2jml n GLY 13 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 0.97 0.00 -0.61 -0.00 -1.97 0.57 117.51 116.47 2jml h ILE 14 Ca 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 64.86 64.61 2jml h ILE 14 Cb 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 36.82 36.99 2jml h ILE 14 CO 0.00 0.13 0.00 0.03 -0.00 0.00 0.00 178.15 178.31 2jml h ARG 15 N 0.73 0.00 -0.80 0.16 2.47 -1.85 -3.27 114.38 111.82 2jml h ARG 15 Ca 0.35 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 59.10 2jml h ARG 15 Cb 0.38 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.65 2jml h ARG 15 CO -0.13 0.00 0.51 1.49 0.56 0.00 0.00 179.97 182.40 2jml h GLU 16 N 0.00 0.96 -0.36 0.04 4.22 -1.15 0.19 114.58 118.49 2jml h GLU 16 Ca 0.00 -0.06 0.08 0.00 0.08 0.00 0.00 59.36 59.46 2jml h GLU 16 Cb 0.38 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2jml h GLU 16 CO 0.00 0.63 0.25 0.00 -2.18 0.00 0.00 179.01 177.71 2jml h ALA 17 N 1.34 2.18 0.05 2.92 0.00 -1.74 0.95 119.26 124.97 2jml h ALA 17 Ca 0.32 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.11 2jml h ALA 17 Cb 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2jml h ALA 17 CO -0.12 -0.27 -0.57 1.15 0.00 0.00 0.00 179.25 179.43 2jml h THR 18 N 0.12 1.49 0.03 0.00 2.02 -1.38 -3.14 112.91 112.05 2jml h THR 18 Ca 0.16 -2.37 0.02 0.00 0.77 0.00 0.00 66.41 64.99 2jml h THR 18 Cb 0.51 3.07 -0.02 0.00 -1.74 0.00 0.00 68.15 69.96 2jml h THR 18 CO -0.02 0.60 -0.14 -0.07 0.37 0.00 0.00 175.52 176.26 2jml h LEU 19 N -0.77 -0.39 -1.14 2.58 3.38 -0.23 0.97 115.31 119.71 2jml h LEU 19 Ca -0.13 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 2jml h LEU 19 Cb 1.29 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.18 2jml h LEU 19 CO 0.01 -0.20 0.08 0.08 0.09 0.00 0.00 178.44 178.50 2jml h ARG 20 N -0.25 0.69 -0.23 1.13 0.11 -1.02 -2.71 114.38 112.09 2jml h ARG 20 Ca 0.04 -0.14 -0.02 0.00 0.10 0.00 0.00 59.98 59.96 2jml h ARG 20 Cb 0.29 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.26 2jml h ARG 20 CO -0.11 0.65 0.07 0.00 0.10 0.00 0.00 179.97 180.67 2jml h ALA 21 N 1.43 0.30 -0.89 0.08 0.00 -1.40 -3.05 119.26 115.73 2jml h ALA 21 Ca 0.15 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.03 2jml h ALA 21 Cb 0.29 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 2jml h ALA 21 CO 0.00 -0.07 0.57 -1.49 0.00 0.00 0.00 179.25 178.27 2jml h TRP 22 N 0.20 0.89 -0.99 0.00 6.55 -0.52 0.15 115.95 122.23 2jml h TRP 22 Ca 0.07 0.02 0.25 0.00 0.95 0.00 0.00 58.89 60.19 2jml h TRP 22 Cb 0.24 -0.28 -0.07 0.00 -0.86 0.00 0.00 29.16 28.19 2jml h TRP 22 CO 0.00 0.37 0.66 1.49 -1.05 0.00 0.00 178.44 179.91 2jml h GLU 23 N 0.79 0.30 0.00 0.49 4.81 -1.38 0.36 114.58 119.95 2jml h GLU 23 Ca 0.43 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 2jml h GLU 23 Cb 0.57 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.88 2jml h GLU 23 CO -0.20 0.20 -1.71 0.54 -0.73 0.00 0.00 179.01 177.11 2jml n ARG 24 N -4.49 0.49 -0.09 1.92 1.74 -0.11 -4.23 116.66 111.88 2jml n ARG 24 Ca 0.22 -0.14 -0.08 0.00 -0.77 0.00 0.00 57.85 57.09 2jml n ARG 24 Cb 0.87 -1.52 -0.15 0.00 -1.02 0.00 0.00 32.46 30.63 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 -2.07 0.85 0.00 5.56 0.63 0.35 -4.90 116.66 117.07 2jml n ARG 25 Ca -0.02 -0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 2jml n ARG 25 Cb 0.51 -1.49 0.00 0.00 0.45 0.00 0.00 32.46 31.93 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 -2.67 -0.04 0.00 -0.14 4.01 0.37 -5.01 117.16 113.68 2jml n TYR 26 Ca -0.29 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.45 2jml n TYR 26 Cb 1.07 0.02 0.00 0.00 -0.31 0.00 0.00 39.34 40.12 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 0.02 0.59 3.85 2.72 0.00 0.99 -5.00 105.19 108.35 2jml n GLY 27 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 3.63 0.48 1.61 2.19 -1.26 -2.39 117.98 120.24 2jml s PHE 28 Ca 0.00 0.98 -0.24 0.00 0.33 0.00 0.00 56.93 58.00 2jml s PHE 28 Cb 0.00 -2.30 -0.07 0.00 -1.31 0.00 0.00 43.02 39.34 2jml s PHE 28 CO 0.00 0.50 1.32 -1.25 1.83 0.00 0.00 175.22 177.63 2jml s PRO 29 N -1.74 3.56 -0.42 10.12 0.04 -1.26 -4.43 135.00 140.87 2jml s PRO 29 Ca 0.33 2.17 -0.22 0.00 0.04 0.00 0.00 61.00 63.32 2jml s PRO 29 Cb -0.15 -2.48 0.02 0.00 0.04 0.00 0.00 34.50 31.92 2jml s PRO 29 CO 0.18 -0.84 0.73 0.50 0.04 0.00 0.00 177.00 177.61 2jml s ARG 30 N -2.62 3.49 -0.37 4.56 3.00 -1.01 -4.92 118.95 121.08 2jml s ARG 30 Ca 0.65 -0.06 -0.28 0.00 -1.00 0.00 0.00 55.73 55.04 2jml s ARG 30 Cb -0.38 -3.89 -0.04 0.00 0.00 0.00 0.00 34.95 30.63 2jml s ARG 30 CO 0.47 -0.98 2.06 -1.25 0.00 0.00 0.00 175.30 175.60 2jml s PRO 31 N 3.06 2.91 0.72 5.12 0.04 -1.26 -4.89 135.00 140.70 2jml s PRO 31 Ca 0.28 1.49 -0.15 0.00 0.04 0.00 0.00 61.00 62.65 2jml s PRO 31 Cb -0.13 -4.36 0.03 0.00 0.04 0.00 0.00 34.50 30.08 2jml s PRO 31 CO 0.20 -2.35 1.19 -0.48 0.04 0.00 0.00 177.00 175.59 2jml s LEU 32 N 8.74 3.33 0.95 -3.56 2.34 -0.72 -4.84 118.68 124.92 2jml s LEU 32 Ca 0.88 2.28 -0.10 0.00 0.06 0.00 0.00 54.13 57.24 2jml s LEU 32 Cb -0.23 -4.58 0.17 0.00 -0.56 0.00 0.00 46.19 40.99 2jml s LEU 32 CO 0.31 -2.14 1.13 -0.13 -1.06 0.00 0.00 176.35 174.45 2jml s ARG 33 N -3.95 0.72 0.35 1.48 0.52 -1.26 -3.55 118.95 113.26 2jml s ARG 33 Ca 0.73 1.42 -0.17 0.00 -0.52 0.00 0.00 55.73 57.19 2jml s ARG 33 Cb -0.27 -1.70 0.04 0.00 0.52 0.00 0.00 34.95 33.54 2jml s ARG 33 CO 0.44 -2.79 0.75 -1.12 0.02 0.00 0.00 175.30 172.60 2jml s SER 34 N -2.67 -0.05 1.10 0.23 0.01 -1.26 -4.76 113.70 106.30 2jml s SER 34 Ca 0.67 -0.97 -0.12 0.00 1.31 0.00 0.00 55.95 56.84 2jml s SER 34 Cb -0.23 0.80 0.17 0.00 0.21 0.00 0.00 66.02 66.97 2jml s SER 34 CO 0.59 -1.55 0.72 1.21 0.41 0.00 0.00 173.24 174.62 2jml n GLU 35 N -0.50 -1.80 0.31 12.44 2.13 -1.21 -4.95 120.64 127.05 2jml n GLU 35 Ca -0.06 -1.13 -0.18 0.00 0.66 0.00 0.00 57.16 56.45 2jml n GLU 35 Cb 0.60 -0.94 -0.09 0.00 0.27 0.00 0.00 31.44 31.27 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 -1.59 -1.09 1.42 8.31 0.00 -2.03 -3.23 103.07 104.86 2jml h GLY 36 Ca -0.26 0.49 -0.24 0.00 0.00 0.00 0.00 47.33 47.32 2jml h GLY 36 CO 0.17 -0.36 -1.37 3.45 0.00 0.00 0.00 176.54 178.43 2jml h ASN 37 N -0.95 0.00 -1.92 0.19 7.08 -2.08 -3.44 115.58 114.47 2jml h ASN 37 Ca -0.06 0.00 -0.49 0.00 -3.08 0.00 0.00 56.30 52.67 2jml h ASN 37 Cb 0.81 0.00 -0.04 0.00 -2.08 0.00 0.00 38.32 37.01 2jml h ASN 37 CO -0.00 0.95 1.30 0.21 -2.08 0.00 0.00 177.43 177.81 2jml s ASN 38 N -6.32 5.32 1.00 6.14 3.04 -1.22 -4.99 114.94 117.90 2jml s ASN 38 Ca -0.02 0.22 -0.14 0.00 0.04 0.00 0.00 52.86 52.96 2jml s ASN 38 Cb 0.09 -2.53 0.06 0.00 -1.54 0.00 0.00 41.25 37.33 2jml s ASN 38 CO 0.82 -2.37 0.35 -1.22 -3.04 0.00 0.00 177.10 171.64 2jml n TYR 39 N 12.63 -1.37 -1.81 0.43 4.01 -1.26 -3.33 117.16 126.46 2jml n TYR 39 Ca 0.21 0.21 -0.40 0.00 -0.16 0.00 0.00 57.90 57.75 2jml n TYR 39 Cb 0.52 -1.74 0.01 0.00 -0.31 0.00 0.00 39.34 37.82 2jml n TYR 39 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2jml s ARG 40 N -3.64 3.80 0.14 -0.72 0.52 -1.26 -4.80 118.95 112.98 2jml s ARG 40 Ca 0.57 2.45 0.03 0.00 -0.52 0.00 0.00 55.73 58.26 2jml s ARG 40 Cb -0.19 -2.74 -0.01 0.00 0.52 0.00 0.00 34.95 32.53 2jml s ARG 40 CO 0.67 -0.74 0.11 1.33 0.02 0.00 0.00 175.30 176.69 2jml n VAL 41 N -0.02 0.00 -4.13 3.52 0.24 -1.23 -4.62 118.33 112.08 2jml n VAL 41 Ca 0.04 -0.97 -0.15 0.00 -2.04 0.00 0.00 64.34 61.22 2jml n VAL 41 Cb 0.41 0.47 -0.11 0.00 -1.47 0.00 0.00 33.84 33.13 2jml n VAL 41 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 2jml s TYR 42 N -2.49 0.98 0.40 6.34 2.02 0.96 -1.75 117.35 123.81 2jml s TYR 42 Ca 0.15 -0.52 -0.04 0.00 -0.37 0.00 0.00 57.07 56.28 2jml s TYR 42 Cb 0.01 -0.56 -0.04 0.00 -0.40 0.00 0.00 41.96 40.97 2jml s TYR 42 CO 0.11 -0.01 0.68 -1.54 -1.57 0.00 0.00 175.55 173.22 2jml s SER 43 N -1.86 6.34 0.30 2.29 1.04 -1.26 -3.56 113.70 116.99 2jml s SER 43 Ca -0.03 0.80 0.02 0.00 0.48 0.00 0.00 55.95 57.22 2jml s SER 43 Cb -0.08 -2.19 0.46 0.00 0.10 0.00 0.00 66.02 64.31 2jml s SER 43 CO 0.01 -0.42 1.79 -0.09 0.98 0.00 0.00 173.24 175.52 2jml h ARG 44 N 0.76 0.61 0.07 4.02 2.43 -1.98 -0.43 114.38 119.86 2jml h ARG 44 Ca -0.48 -0.16 0.02 0.00 -0.81 0.00 0.00 59.98 58.55 2jml h ARG 44 Cb 1.20 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.65 2jml h ARG 44 CO 0.63 0.68 -0.24 1.05 -1.51 0.00 0.00 179.97 180.57 2jml h GLU 45 N 0.57 -0.40 -0.07 0.20 4.11 -1.98 0.24 114.58 117.25 2jml h GLU 45 Ca 0.11 0.03 0.02 0.00 0.07 0.00 0.00 59.36 59.59 2jml h GLU 45 Cb 0.46 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2jml h GLU 45 CO 0.02 -0.27 -0.05 0.93 0.07 0.00 0.00 179.01 179.72 2jml h GLU 46 N -0.41 -0.05 -0.81 1.06 4.39 -1.83 -1.09 114.58 115.83 2jml h GLU 46 Ca 0.04 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.80 2jml h GLU 46 Cb 0.46 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.06 2jml h GLU 46 CO -0.16 -0.04 0.49 0.28 -1.16 0.00 0.00 179.01 178.42 2jml h VAL 47 N -0.05 1.03 0.28 3.13 2.07 -1.02 0.13 116.25 121.82 2jml h VAL 47 Ca 0.05 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 2jml h VAL 47 Cb 0.12 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 2jml h VAL 47 CO -0.11 0.16 -0.22 -0.08 0.02 0.00 0.00 177.57 177.35 2jml h GLU 48 N 0.90 -0.49 -0.12 1.57 4.81 -0.22 0.26 114.58 121.29 2jml h GLU 48 Ca 0.35 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.66 2jml h GLU 48 Cb 0.17 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 2jml h GLU 48 CO -0.17 -0.33 -0.17 0.00 -0.73 0.00 0.00 179.01 177.61 2jml h ALA 49 N 0.15 -0.11 -0.22 2.92 0.00 -0.90 -1.18 119.26 119.93 2jml h ALA 49 Ca -0.02 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2jml h ALA 49 Cb 0.45 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 2jml h ALA 49 CO -0.01 -0.63 -0.01 0.28 0.00 0.00 0.00 179.25 178.88 2jml h VAL 50 N -0.22 0.83 -0.72 0.00 2.07 -0.57 0.15 116.25 117.79 2jml h VAL 50 Ca 0.09 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.64 2jml h VAL 50 Cb 0.35 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 2jml h VAL 50 CO -0.25 0.01 0.44 -0.09 0.02 0.00 0.00 177.57 177.70 2jml h ARG 51 N 0.05 0.83 0.73 1.57 1.12 -0.29 0.38 114.38 118.77 2jml h ARG 51 Ca 0.10 -0.05 -0.03 0.00 -1.11 0.00 0.00 59.98 58.89 2jml h ARG 51 Cb 0.14 -0.19 -0.01 0.00 -0.01 0.00 0.00 29.97 29.91 2jml h ARG 51 CO -0.19 0.55 -0.48 0.00 -3.11 0.00 0.00 179.97 176.74 2jml h ARG 52 N 0.85 -1.10 -0.48 0.20 3.08 -0.76 -1.01 114.38 115.15 2jml h ARG 52 Ca 0.30 0.08 0.10 0.00 0.07 0.00 0.00 59.98 60.52 2jml h ARG 52 Cb 0.07 0.25 -0.09 0.00 0.08 0.00 0.00 29.97 30.28 2jml h ARG 52 CO -0.13 -0.73 -0.13 0.28 -1.07 0.00 0.00 179.97 178.19 2jml h VAL 53 N -1.14 0.51 -0.99 2.04 2.07 -0.27 0.13 116.25 118.60 2jml h VAL 53 Ca -0.10 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.44 2jml h VAL 53 Cb 0.92 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 2jml h VAL 53 CO 0.08 0.00 0.65 0.00 0.02 0.00 0.00 177.57 178.32 2jml h ALA 54 N 1.47 1.32 -0.18 1.67 0.00 -0.27 0.14 119.26 123.40 2jml h ALA 54 Ca 0.23 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.86 2jml h ALA 54 Cb 0.36 -0.39 0.01 0.00 0.00 0.00 0.00 17.79 17.77 2jml h ALA 54 CO -0.50 0.62 -0.74 -0.09 0.00 0.00 0.00 179.25 178.54 2jml h ARG 55 N 1.31 0.82 -0.90 0.00 1.12 -0.23 -3.20 114.38 113.29 2jml h ARG 55 Ca 0.37 -0.64 0.08 0.00 -1.11 0.00 0.00 59.98 58.69 2jml h ARG 55 Cb -0.11 0.12 -0.07 0.00 -0.01 0.00 0.00 29.97 29.91 2jml h ARG 55 CO -0.09 1.25 0.55 -0.07 -3.11 0.00 0.00 179.97 178.50 2jml h LEU 56 N 0.57 0.84 -2.29 3.80 -0.00 -0.40 -1.73 115.31 116.09 2jml h LEU 56 Ca -0.04 0.03 0.01 0.00 -0.00 0.00 0.00 57.88 57.88 2jml h LEU 56 Cb 1.36 -0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 41.88 2jml h LEU 56 CO 0.15 0.50 0.04 0.40 -0.00 0.00 0.00 178.44 179.53 2jml h ILE 57 N 0.95 0.66 0.00 1.22 2.04 -0.75 -0.06 117.51 121.57 2jml h ILE 57 Ca 0.42 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.28 2jml h ILE 57 Cb 0.30 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 2jml h ILE 57 CO -0.22 0.00 0.00 0.00 0.00 0.00 0.00 178.15 177.93 2jml n GLN 58 N -4.05 0.17 0.01 2.37 1.13 -0.65 -2.13 117.38 114.23 2jml n GLN 58 Ca -0.02 0.43 -0.22 0.00 -1.94 0.00 0.00 57.00 55.25 2jml n GLN 58 Cb 0.13 -1.84 -0.14 0.00 0.11 0.00 0.00 30.24 28.50 2jml n GLN 58 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2jml h GLU 59 N 0.00 0.27 0.00 -1.09 5.08 -1.10 -3.47 114.58 114.27 2jml h GLU 59 Ca 0.00 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 2jml h GLU 59 Cb 0.31 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2jml h GLU 59 CO 0.00 1.22 0.00 0.39 -1.00 0.00 0.00 179.01 179.62 2jml n GLU 60 N -3.72 0.00 0.00 2.33 1.02 -1.21 -5.06 120.64 113.99 2jml n GLU 60 Ca -0.28 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.86 2jml n GLU 60 Cb 0.98 -0.38 0.00 0.00 -0.02 0.00 0.00 31.44 32.02 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 0.93 3.18 0.40 0.62 0.00 -0.90 -4.91 105.19 104.50 2jml n GLY 61 Ca 0.00 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.27 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 0.45 -1.28 0.99 5.85 -1.92 0.02 115.31 119.42 2jml h LEU 62 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 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 0.31 0.28 -0.34 0.00 0.00 178.44 178.71 2jml h SER 63 N 0.35 0.00 -0.08 1.25 0.02 -1.91 0.29 113.55 113.48 2jml h SER 63 Ca 0.66 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.63 2jml h SER 63 Cb 1.68 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 64.18 2jml h SER 63 CO -0.38 0.00 -0.36 0.58 -1.14 0.00 0.00 176.83 175.53 2jml h VAL 64 N 0.00 0.00 0.24 2.27 2.07 -1.29 -0.63 116.25 118.90 2jml h VAL 64 Ca 0.00 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.18 2jml h VAL 64 Cb 0.62 0.00 0.03 0.00 -1.52 0.00 0.00 31.29 30.42 2jml h VAL 64 CO 0.00 0.00 -1.54 -1.28 0.02 0.00 0.00 177.57 174.77 2jml h SER 65 N -0.40 0.78 0.23 0.57 0.87 -1.29 -3.28 113.55 111.04 2jml h SER 65 Ca 0.02 -0.93 -0.01 0.00 -1.23 0.00 0.00 61.79 59.64 2jml h SER 65 Cb 0.46 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 2jml h SER 65 CO -0.29 1.73 -0.11 -0.08 -0.53 0.00 0.00 176.83 177.55 2jml h GLU 66 N 0.12 -0.30 0.00 2.24 4.57 -1.08 -0.12 114.58 120.01 2jml h GLU 66 Ca -0.28 0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 57.84 2jml h GLU 66 Cb 2.14 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 30.79 2jml h GLU 66 CO 0.25 0.03 -0.39 0.00 -1.18 0.00 0.00 179.01 177.72 2jml h ALA 67 N -0.00 0.87 0.37 2.92 0.00 -1.31 0.23 119.26 122.34 2jml h ALA 67 Ca -0.03 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 2jml h ALA 67 Cb 0.46 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2jml h ALA 67 CO 0.05 0.49 -0.18 0.82 0.00 0.00 0.00 179.25 180.43 2jml h ILE 68 N 0.00 0.62 -0.91 0.00 2.04 -1.61 0.04 117.51 117.69 2jml h ILE 68 Ca -0.00 -0.38 0.07 0.00 1.00 0.00 0.00 64.86 65.54 2jml h ILE 68 Cb 1.06 0.81 -0.07 0.00 -0.74 0.00 0.00 36.82 37.88 2jml h ILE 68 CO 0.05 0.07 0.57 0.00 0.00 0.00 0.00 178.15 178.84 2jml h ALA 69 N -0.19 1.27 0.29 1.87 0.00 -0.68 0.77 119.26 122.59 2jml h ALA 69 Ca -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2jml h ALA 69 Cb 0.50 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2jml h ALA 69 CO 0.08 0.31 -0.31 1.96 0.00 0.00 0.00 179.25 181.29 2jml h GLN 70 N 1.02 -0.58 0.00 0.00 4.20 -0.57 -0.53 115.11 118.65 2jml h GLN 70 Ca 0.40 0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.15 2jml h GLN 70 Cb 0.21 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2jml h GLN 70 CO -0.19 -0.38 0.00 -0.24 -0.67 0.00 0.00 178.83 177.35 2jml h VAL 71 N -0.60 0.00 0.13 -0.54 3.04 -0.58 0.34 116.25 118.05 2jml h VAL 71 Ca -0.04 -0.12 -0.28 0.00 -1.01 0.00 0.00 66.70 65.25 2jml h VAL 71 Cb 0.53 0.81 0.01 0.00 -2.01 0.00 0.00 31.29 30.63 2jml h VAL 71 CO -0.05 0.00 -1.24 0.11 -1.01 0.00 0.00 177.57 175.37 2jml h LYS 72 N 0.00 0.36 0.03 4.17 1.79 -0.67 -3.38 116.57 118.87 2jml h LYS 72 Ca 0.00 -0.57 -0.28 0.00 -2.18 0.00 0.00 60.65 57.62 2jml h LYS 72 Cb 0.16 0.20 -0.04 0.00 -1.58 0.00 0.00 32.23 30.97 2jml h LYS 72 CO 0.00 1.25 -1.55 0.00 -1.08 0.00 0.00 179.45 178.08 2jml h THR 73 N 0.12 1.06 -2.88 -0.16 1.03 0.43 -3.45 112.91 109.07 2jml h THR 73 Ca -0.15 -2.85 -0.57 0.00 -0.01 0.00 0.00 66.41 62.83 2jml h THR 73 Cb 1.95 2.57 -0.03 0.00 -1.07 0.00 0.00 68.15 71.56 2jml h THR 73 CO 0.21 0.67 1.16 -0.70 -0.01 0.00 0.00 175.52 176.85 2jml s GLU 74 N -2.62 3.59 0.11 0.00 2.12 0.11 -5.02 118.70 116.99 2jml s GLU 74 Ca -0.05 1.39 -0.31 0.00 0.36 0.00 0.00 54.97 56.35 2jml s GLU 74 Cb 0.08 -4.08 -0.08 0.00 0.26 0.00 0.00 34.13 30.31 2jml s GLU 74 CO 0.82 -1.54 1.39 -1.25 -0.54 0.00 0.00 175.26 174.14 2jml s PRO 75 N 5.05 4.32 0.00 4.30 0.04 -1.26 -4.77 135.00 142.67 2jml s PRO 75 Ca 0.71 2.08 -0.03 0.00 0.04 0.00 0.00 61.00 63.80 2jml s PRO 75 Cb -0.21 -3.25 -0.15 0.00 0.04 0.00 0.00 34.50 30.93 2jml s PRO 75 CO 0.31 -0.44 2.43 -0.35 0.04 0.00 0.00 177.00 178.99 2jml n PRO 76 N 3.98 1.26 -3.49 0.56 -0.04 -1.26 -4.50 135.00 131.51 2jml n PRO 76 Ca 0.12 -0.55 -0.05 0.00 -0.04 0.00 0.00 63.50 62.97 2jml n PRO 76 Cb 0.42 -1.70 -0.06 0.00 -0.04 0.00 0.00 33.50 32.12 2jml n PRO 76 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2jml s ARG 77 N 1.36 0.43 0.00 0.54 0.52 -1.26 -5.25 118.95 115.29 2jml s ARG 77 Ca 0.37 1.00 0.30 0.00 -0.52 0.00 0.00 55.73 56.88 2jml s ARG 77 Cb 0.18 0.30 1.40 0.00 0.52 0.00 0.00 34.95 37.34 2jml s ARG 77 CO 0.00 -0.40 1.94 -1.91 0.02 0.00 0.00 175.30 174.95