#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x02 h ASP 2 N 0.00 0.00 -0.53 0.00 3.32 -2.11 -3.31 116.42 113.79 1x02 h ASP 2 Ca 0.00 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.74 1x02 h ASP 2 Cb 0.00 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.39 1x02 h ASP 2 CO 0.00 0.52 0.39 0.00 -1.72 0.00 0.00 179.24 178.44 1x02 n GLN 3 N -3.05 1.75 -3.13 3.56 1.13 -1.26 -4.39 117.38 111.99 1x02 n GLN 3 Ca -0.03 -1.64 -0.22 0.00 -1.94 0.00 0.00 57.00 53.17 1x02 n GLN 3 Cb 0.78 -1.64 -0.04 0.00 0.11 0.00 0.00 30.24 29.44 1x02 n GLN 3 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1x02 n LEU 4 N -0.13 1.90 0.00 1.08 4.77 -1.25 -4.86 117.00 118.51 1x02 n LEU 4 Ca 0.32 -5.18 -0.07 0.00 -0.03 0.00 0.00 56.01 51.05 1x02 n LEU 4 Cb 0.91 0.30 0.05 0.00 -2.33 0.00 0.00 43.42 42.34 1x02 n LEU 4 CO 0.36 2.27 0.20 0.41 -1.33 0.00 0.00 177.39 179.31 1x02 n THR 5 N 0.29 0.00 -0.45 -5.08 -1.04 -1.26 -4.56 114.28 102.18 1x02 n THR 5 Ca 0.26 -0.38 0.37 0.00 -2.04 0.00 0.00 64.05 62.26 1x02 n THR 5 Cb 0.56 -1.51 0.57 0.00 -1.82 0.00 0.00 70.33 68.12 1x02 n THR 5 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1x02 n GLU 6 N -1.66 0.00 0.19 -2.82 1.02 -1.26 0.11 120.64 116.23 1x02 n GLU 6 Ca 0.05 0.85 -0.15 0.00 -0.02 0.00 0.00 57.16 57.89 1x02 n GLU 6 Cb 0.17 -2.00 -0.08 0.00 -0.02 0.00 0.00 31.44 29.51 1x02 n GLU 6 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1x02 h GLU 7 N 0.00 -0.44 0.19 3.49 9.09 -1.98 -1.57 114.58 123.36 1x02 h GLU 7 Ca 0.65 0.03 -0.01 0.00 0.05 0.00 0.00 59.36 60.08 1x02 h GLU 7 Cb 2.83 0.10 0.00 0.00 -1.65 0.00 0.00 28.75 30.03 1x02 h GLU 7 CO -0.01 -0.29 -0.09 1.96 0.05 0.00 0.00 179.01 180.63 1x02 h GLN 8 N -0.46 -0.24 -0.92 1.06 1.08 0.53 -3.23 115.11 112.92 1x02 h GLN 8 Ca -0.04 0.02 0.26 0.00 -1.45 0.00 0.00 58.65 57.44 1x02 h GLN 8 Cb 0.37 0.06 -0.16 0.00 -0.05 0.00 0.00 27.48 27.70 1x02 h GLN 8 CO 0.05 0.16 0.15 0.82 -0.95 0.00 0.00 178.83 179.05 1x02 h ILE 9 N -0.76 0.18 -0.93 2.54 5.03 -1.50 0.84 117.51 122.91 1x02 h ILE 9 Ca -0.03 -0.03 0.10 0.00 -0.12 0.00 0.00 64.86 64.78 1x02 h ILE 9 Cb 0.51 0.07 -0.07 0.00 -3.03 0.00 0.00 36.82 34.30 1x02 h ILE 9 CO 0.04 0.02 0.60 0.00 -0.68 0.00 0.00 178.15 178.13 1x02 h ALA 10 N 1.87 1.59 0.07 1.87 0.00 -1.30 0.28 119.26 123.63 1x02 h ALA 10 Ca 0.58 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.48 1x02 h ALA 10 Cb 1.20 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1x02 h ALA 10 CO -0.77 0.22 -0.03 0.93 0.00 0.00 0.00 179.25 179.60 1x02 h GLU 11 N 0.94 -0.09 0.00 0.00 4.39 0.63 -2.60 114.58 117.86 1x02 h GLU 11 Ca 0.43 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 60.11 1x02 h GLU 11 Cb 0.40 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1x02 h GLU 11 CO -0.19 0.36 -0.11 0.74 -1.16 0.00 0.00 179.01 178.64 1x02 h PHE 12 N -0.56 0.00 0.55 4.33 0.04 -0.87 -2.79 116.94 117.64 1x02 h PHE 12 Ca -0.01 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 1x02 h PHE 12 Cb 0.48 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.64 1x02 h PHE 12 CO 0.08 0.11 -0.26 -0.22 -0.60 0.00 0.00 178.31 177.42 1x02 h LYS 13 N 0.00 -0.71 -0.79 1.51 3.64 -0.39 -1.79 116.57 118.04 1x02 h LYS 13 Ca -0.00 0.05 0.19 0.00 -1.27 0.00 0.00 60.65 59.61 1x02 h LYS 13 Cb 0.23 0.16 -0.12 0.00 -0.41 0.00 0.00 32.23 32.08 1x02 h LYS 13 CO 0.01 -0.47 0.16 0.93 -2.27 0.00 0.00 179.45 177.82 1x02 h GLU 14 N -1.04 0.21 -0.35 1.90 4.39 -1.39 0.82 114.58 119.12 1x02 h GLU 14 Ca -0.07 -0.01 -0.04 0.00 0.34 0.00 0.00 59.36 59.57 1x02 h GLU 14 Cb 0.56 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 1x02 h GLU 14 CO 0.12 0.14 0.06 0.00 -1.16 0.00 0.00 179.01 178.17 1x02 h ALA 15 N 1.69 1.44 -0.00 3.43 0.00 -1.52 -1.44 119.26 122.85 1x02 h ALA 15 Ca 0.46 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1x02 h ALA 15 Cb 0.85 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1x02 h ALA 15 CO -0.59 0.40 -0.34 0.34 0.00 0.00 0.00 179.25 179.07 1x02 n PHE 16 N -4.32 0.00 0.02 0.00 -0.00 0.15 -3.81 117.46 109.50 1x02 n PHE 16 Ca 0.02 0.00 -0.15 0.00 -0.00 0.00 0.00 57.45 57.31 1x02 n PHE 16 Cb 0.20 -0.28 -0.14 0.00 -0.00 0.00 0.00 39.48 39.27 1x02 n PHE 16 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.76 177.53 1x02 h SER 17 N 0.19 0.27 -0.47 -2.13 0.02 0.14 -3.22 113.55 108.35 1x02 h SER 17 Ca 0.00 -0.49 -0.10 0.00 -0.84 0.00 0.00 61.79 60.36 1x02 h SER 17 Cb 0.49 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1x02 h SER 17 CO 0.00 1.42 -0.10 0.17 -1.14 0.00 0.00 176.83 177.18 1x02 h LEU 18 N 0.05 0.91 -0.12 5.07 8.10 -1.46 -3.18 115.31 124.67 1x02 h LEU 18 Ca -0.30 -0.36 -0.01 0.00 0.11 0.00 0.00 57.88 57.32 1x02 h LEU 18 Cb 2.01 -0.25 -0.00 0.00 -0.44 0.00 0.00 40.66 41.98 1x02 h LEU 18 CO 0.12 1.05 0.03 -0.26 -4.11 0.00 0.00 178.44 175.27 1x02 h PHE 19 N 0.75 0.20 -1.01 0.17 0.04 -1.71 -3.39 116.94 111.99 1x02 h PHE 19 Ca 0.12 -0.02 -0.26 0.00 2.80 0.00 0.00 57.97 60.61 1x02 h PHE 19 Cb 0.65 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.73 1x02 h PHE 19 CO 0.05 0.34 0.80 0.34 -0.60 0.00 0.00 178.31 179.25 1x02 s ASP 20 N -5.59 4.46 -0.13 2.17 2.15 -1.20 -4.71 116.67 113.82 1x02 s ASP 20 Ca -0.14 0.26 -0.14 0.00 0.43 0.00 0.00 52.55 52.96 1x02 s ASP 20 Cb 0.06 -2.53 -0.26 0.00 -0.30 0.00 0.00 42.92 39.89 1x02 s ASP 20 CO 0.70 -3.18 0.44 0.11 -0.17 0.00 0.00 175.17 173.06 1x02 h LYS 21 N 14.77 0.21 -0.59 4.34 1.79 -1.82 -3.37 116.57 131.90 1x02 h LYS 21 Ca -0.09 -0.36 0.03 0.00 -2.18 0.00 0.00 60.65 58.05 1x02 h LYS 21 Cb 1.10 0.14 -0.04 0.00 -1.58 0.00 0.00 32.23 31.85 1x02 h LYS 21 CO 1.12 1.17 0.36 -0.44 -1.08 0.00 0.00 179.45 180.58 1x02 h ASP 22 N -0.30 0.59 -0.06 0.86 3.32 -1.94 -3.47 116.42 115.43 1x02 h ASP 22 Ca -0.35 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1x02 h ASP 22 Cb 1.78 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 41.20 1x02 h ASP 22 CO 0.02 0.41 0.00 0.61 -1.72 0.00 0.00 179.24 178.56 1x02 n GLY 23 N -1.26 1.16 0.49 2.75 0.00 -1.26 -5.04 105.19 102.03 1x02 n GLY 23 Ca 0.05 -0.05 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1x02 n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1x02 n ASP 24 N 0.11 1.23 0.00 1.61 5.68 -1.26 -5.05 116.55 118.87 1x02 n ASP 24 Ca 0.00 0.17 0.00 0.00 -0.50 0.00 0.00 54.79 54.46 1x02 n ASP 24 Cb 0.03 -0.44 0.00 0.00 -1.14 0.00 0.00 41.12 39.58 1x02 n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1x02 n GLY 25 N 2.09 1.02 2.84 6.12 0.00 -1.26 -5.14 105.19 110.86 1x02 n GLY 25 Ca -0.30 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 1x02 n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x02 s THR 26 N -1.02 0.04 -0.29 2.61 -4.23 -1.26 -4.03 115.64 107.46 1x02 s THR 26 Ca 0.00 0.06 -0.10 0.00 -1.18 0.00 0.00 61.69 60.47 1x02 s THR 26 Cb 0.00 -0.10 -0.03 0.00 1.34 0.00 0.00 72.50 73.71 1x02 s THR 26 CO 0.00 0.06 0.16 -0.63 -0.54 0.00 0.00 174.62 173.66 1x02 s ILE 27 N 0.48 4.86 0.26 2.99 1.01 0.42 -4.84 121.20 126.38 1x02 s ILE 27 Ca -0.04 -0.13 0.08 0.00 0.00 0.00 0.00 60.65 60.56 1x02 s ILE 27 Cb -0.06 -3.37 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 1x02 s ILE 27 CO -0.01 0.19 -0.10 0.28 0.00 0.00 0.00 174.94 175.30 1x02 s THR 28 N 1.68 1.81 0.28 2.92 -1.32 -1.26 -0.70 115.64 119.05 1x02 s THR 28 Ca 0.06 -2.19 0.20 0.00 -1.21 0.00 0.00 61.69 58.55 1x02 s THR 28 Cb -0.16 -2.33 0.31 0.00 -1.51 0.00 0.00 72.50 68.80 1x02 s THR 28 CO 0.08 -0.39 1.03 0.35 -2.21 0.00 0.00 174.62 173.48 1x02 n THR 29 N -0.55 -0.19 0.01 5.08 -2.24 -1.26 0.24 114.28 115.37 1x02 n THR 29 Ca -0.06 1.21 -0.12 0.00 -2.27 0.00 0.00 64.05 62.81 1x02 n THR 29 Cb 0.62 -1.98 -0.07 0.00 -2.10 0.00 0.00 70.33 66.80 1x02 n THR 29 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1x02 h LYS 30 N 0.00 0.06 0.06 -0.78 1.63 -1.96 0.56 116.57 116.14 1x02 h LYS 30 Ca 0.57 -0.01 -0.09 0.00 -0.85 0.00 0.00 60.65 60.27 1x02 h LYS 30 Cb 1.79 -0.01 0.01 0.00 -0.60 0.00 0.00 32.23 33.42 1x02 h LYS 30 CO -0.34 0.19 -0.40 0.93 -3.45 0.00 0.00 179.45 176.38 1x02 h GLU 31 N -0.07 0.16 -0.37 1.90 5.08 0.27 -3.05 114.58 118.51 1x02 h GLU 31 Ca 0.01 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 1x02 h GLU 31 Cb 0.15 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1x02 h GLU 31 CO -0.00 1.09 0.20 1.25 -1.00 0.00 0.00 179.01 180.55 1x02 h LEU 32 N -0.63 0.46 -0.39 1.33 5.85 -0.37 -1.74 115.31 119.83 1x02 h LEU 32 Ca -0.07 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.57 1x02 h LEU 32 Cb 1.28 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1x02 h LEU 32 CO 0.08 0.41 0.00 0.61 -0.34 0.00 0.00 178.44 179.20 1x02 n GLY 33 N -0.98 -1.06 0.08 3.75 0.00 0.20 -0.93 105.19 106.24 1x02 n GLY 33 Ca -0.00 0.03 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 1x02 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x02 h THR 34 N 0.00 1.30 0.02 2.61 1.03 -1.20 -3.21 112.91 113.47 1x02 h THR 34 Ca 0.00 -2.94 -0.39 0.00 -0.01 0.00 0.00 66.41 63.07 1x02 h THR 34 Cb 0.26 2.63 -0.06 0.00 -1.07 0.00 0.00 68.15 69.90 1x02 h THR 34 CO 0.00 0.74 -2.37 0.52 -0.01 0.00 0.00 175.52 174.40 1x02 n VAL 35 N -3.24 1.55 -0.34 0.00 0.31 -0.93 -4.14 118.33 111.54 1x02 n VAL 35 Ca -0.03 -0.56 0.06 0.00 -0.01 0.00 0.00 64.34 63.80 1x02 n VAL 35 Cb 0.91 -1.53 0.24 0.00 -0.91 0.00 0.00 33.84 32.54 1x02 n VAL 35 CO 0.00 0.00 0.00 0.24 -1.32 0.00 0.00 176.83 175.75 1x02 h MET 36 N -0.09 0.99 0.00 5.55 2.86 -1.20 0.18 114.93 123.22 1x02 h MET 36 Ca -0.56 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.02 1x02 h MET 36 Cb 1.89 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 33.32 1x02 h MET 36 CO -0.09 0.66 0.00 0.07 1.06 0.00 0.00 176.91 178.61 1x02 h ARG 37 N 1.02 0.00 -0.05 1.72 -0.00 -1.76 -2.39 114.38 112.93 1x02 h ARG 37 Ca 0.45 0.00 -0.14 0.00 -0.00 0.00 0.00 59.98 60.28 1x02 h ARG 37 Cb 0.35 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.30 1x02 h ARG 37 CO -0.20 0.00 -0.62 1.03 -0.00 0.00 0.00 179.97 180.18 1x02 h SER 38 N 0.00 0.20 1.00 0.08 0.87 -0.79 -3.11 113.55 111.80 1x02 h SER 38 Ca 0.00 -0.12 -0.19 0.00 -1.23 0.00 0.00 61.79 60.25 1x02 h SER 38 Cb 0.47 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 1x02 h SER 38 CO 0.00 0.77 -1.05 -0.07 -0.53 0.00 0.00 176.83 175.95 1x02 h LEU 39 N 0.13 0.00 0.00 2.23 3.38 -1.44 -3.48 115.31 116.14 1x02 h LEU 39 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1x02 h LEU 39 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1x02 h LEU 39 CO 0.09 0.80 0.00 0.61 0.09 0.00 0.00 178.44 180.03 1x02 n GLY 40 N 1.36 1.93 0.11 0.83 0.00 -1.15 -5.07 105.19 103.19 1x02 n GLY 40 Ca -0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 1x02 n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x02 n GLN 41 N -0.01 0.54 -3.92 1.61 6.02 -0.92 -5.01 117.38 115.70 1x02 n GLN 41 Ca 0.00 0.39 -0.28 0.00 -0.01 0.00 0.00 57.00 57.09 1x02 n GLN 41 Cb 0.00 -1.59 -0.01 0.00 1.02 0.00 0.00 30.24 29.67 1x02 n GLN 41 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1x02 n ASN 42 N -4.41 -1.63 -4.77 1.08 3.02 -1.25 -4.89 115.26 102.40 1x02 n ASN 42 Ca -0.31 -1.04 -0.40 0.00 -0.03 0.00 0.00 54.58 52.79 1x02 n ASN 42 Cb 0.63 -2.96 -0.03 0.00 -0.61 0.00 0.00 39.78 36.82 1x02 n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1x02 s PRO 43 N -6.53 4.43 0.95 3.52 0.04 -1.26 -5.02 135.00 131.13 1x02 s PRO 43 Ca 0.14 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 63.11 1x02 s PRO 43 Cb -0.06 -3.08 0.16 0.00 0.04 0.00 0.00 34.50 31.56 1x02 s PRO 43 CO 0.89 -0.06 1.09 0.95 0.04 0.00 0.00 177.00 179.92 1x02 s THR 44 N -1.17 2.35 0.12 1.26 -4.23 -1.26 -4.65 115.64 108.06 1x02 s THR 44 Ca 0.48 0.11 -0.34 0.00 -1.18 0.00 0.00 61.69 60.76 1x02 s THR 44 Cb -0.36 -2.61 -0.13 0.00 1.34 0.00 0.00 72.50 70.73 1x02 s THR 44 CO 0.48 -0.15 1.55 -0.33 -0.54 0.00 0.00 174.62 175.63 1x02 h GLU 45 N -1.72 -0.55 -1.03 3.99 5.08 -1.99 0.54 114.58 118.90 1x02 h GLU 45 Ca -0.52 0.04 0.30 0.00 -1.00 0.00 0.00 59.36 58.18 1x02 h GLU 45 Cb 1.31 0.13 -0.13 0.00 0.50 0.00 0.00 28.75 30.55 1x02 h GLU 45 CO 0.56 -0.37 0.61 0.00 -1.00 0.00 0.00 179.01 178.81 1x02 h ALA 46 N -0.28 1.98 0.34 3.43 0.00 -1.98 0.24 119.26 123.00 1x02 h ALA 46 Ca 0.04 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1x02 h ALA 46 Cb 0.68 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1x02 h ALA 46 CO -0.45 -0.53 -0.17 0.93 0.00 0.00 0.00 179.25 179.04 1x02 h GLU 47 N 0.40 -0.45 -0.22 0.00 4.39 -1.31 -0.01 114.58 117.39 1x02 h GLU 47 Ca 0.70 0.03 0.04 0.00 0.34 0.00 0.00 59.36 60.46 1x02 h GLU 47 Cb 1.56 0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 30.28 1x02 h GLU 47 CO -0.52 -0.13 -0.01 -0.07 -1.16 0.00 0.00 179.01 177.12 1x02 h LEU 48 N -0.79 -0.10 -0.60 1.33 3.38 0.49 0.18 115.31 119.19 1x02 h LEU 48 Ca -0.05 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1x02 h LEU 48 Cb 0.52 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 1x02 h LEU 48 CO 0.08 -0.02 0.38 1.56 0.09 0.00 0.00 178.44 180.53 1x02 h GLN 49 N 0.06 0.80 -0.71 1.13 1.08 -0.63 0.24 115.11 117.06 1x02 h GLN 49 Ca 0.10 -0.06 -0.05 0.00 -1.45 0.00 0.00 58.65 57.20 1x02 h GLN 49 Cb 0.13 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.36 1x02 h GLN 49 CO -0.18 0.55 0.25 -0.44 -0.95 0.00 0.00 178.83 178.06 1x02 h ASP 50 N 0.81 1.01 -0.29 1.46 5.19 -0.49 0.42 116.42 124.53 1x02 h ASP 50 Ca 0.22 -0.19 -0.14 0.00 -0.62 0.00 0.00 57.03 56.30 1x02 h ASP 50 Cb -0.06 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 39.18 1x02 h ASP 50 CO -0.04 0.93 -0.35 0.24 -3.12 0.00 0.00 179.24 176.90 1x02 h MET 51 N 1.04 0.76 0.42 3.56 2.86 -0.24 -2.95 114.93 120.37 1x02 h MET 51 Ca 0.23 -0.42 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 1x02 h MET 51 Cb 0.26 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1x02 h MET 51 CO -0.01 1.05 -0.20 0.82 1.06 0.00 0.00 176.91 179.62 1x02 h ILE 52 N 0.51 0.00 -0.99 -1.22 2.04 -0.37 -3.29 117.51 114.20 1x02 h ILE 52 Ca 0.04 -0.56 0.29 0.00 1.00 0.00 0.00 64.86 65.63 1x02 h ILE 52 Cb 0.94 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.83 1x02 h ILE 52 CO 0.08 0.00 0.08 0.78 0.00 0.00 0.00 178.15 179.09 1x02 h ASN 53 N -1.13 -0.40 -0.71 1.72 2.35 -0.28 0.44 115.58 117.57 1x02 h ASN 53 Ca -0.06 0.28 0.13 0.00 -0.55 0.00 0.00 56.30 56.10 1x02 h ASN 53 Cb 0.43 0.47 -0.13 0.00 0.05 0.00 0.00 38.32 39.14 1x02 h ASN 53 CO 0.10 -0.37 -0.27 -0.33 -1.65 0.00 0.00 177.43 174.91 1x02 h GLU 54 N 0.01 -0.06 0.12 0.81 4.39 -1.58 -0.70 114.58 117.56 1x02 h GLU 54 Ca 0.63 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 60.06 1x02 h GLU 54 Cb 1.34 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.01 1x02 h GLU 54 CO -0.91 -0.04 -1.23 0.28 -1.16 0.00 0.00 179.01 175.95 1x02 h VAL 55 N -0.07 1.51 0.00 3.13 2.07 -0.43 -3.45 116.25 119.02 1x02 h VAL 55 Ca 0.31 -3.08 -0.57 0.00 0.82 0.00 0.00 66.70 64.19 1x02 h VAL 55 Cb 0.56 2.94 -0.07 0.00 -1.52 0.00 0.00 31.29 33.20 1x02 h VAL 55 CO -0.76 0.90 1.50 -0.67 0.02 0.00 0.00 177.57 178.55 1x02 n ASP 56 N -3.53 0.44 -0.01 0.57 2.03 0.81 -4.81 116.55 112.04 1x02 n ASP 56 Ca -0.08 0.35 -0.00 0.00 0.52 0.00 0.00 54.79 55.58 1x02 n ASP 56 Cb 1.02 -0.86 -0.00 0.00 -0.72 0.00 0.00 41.12 40.56 1x02 n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x02 h ALA 57 N 10.22 0.00 -0.99 -1.67 0.00 -1.88 -3.36 119.26 121.58 1x02 h ALA 57 Ca -0.07 -0.05 0.35 0.00 0.00 0.00 0.00 54.91 55.15 1x02 h ALA 57 Cb 1.27 0.02 -0.18 0.00 0.00 0.00 0.00 17.79 18.90 1x02 h ALA 57 CO 1.20 0.02 0.31 0.38 0.00 0.00 0.00 179.25 181.16 1x02 h ASP 58 N -0.26 -0.04 -0.03 0.00 3.04 -1.93 -3.45 116.42 113.75 1x02 h ASP 58 Ca 0.00 0.27 0.00 0.00 -3.24 0.00 0.00 57.03 54.06 1x02 h ASP 58 Cb 0.02 0.36 0.00 0.00 -1.04 0.00 0.00 39.33 38.67 1x02 h ASP 58 CO 0.00 -0.39 0.00 0.61 -2.04 0.00 0.00 179.24 177.42 1x02 n GLY 59 N -1.37 0.83 0.51 7.15 0.00 -1.26 -5.05 105.19 106.02 1x02 n GLY 59 Ca 0.31 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 46.22 1x02 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x02 n ASN 60 N 0.02 1.45 0.00 1.61 6.94 -1.26 -5.05 115.26 118.97 1x02 n ASN 60 Ca 0.00 0.07 0.00 0.00 -0.02 0.00 0.00 54.58 54.63 1x02 n ASN 60 Cb 0.01 -0.23 0.00 0.00 -2.36 0.00 0.00 39.78 37.20 1x02 n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1x02 n GLY 61 N 2.61 -0.26 3.14 4.83 0.00 -1.26 -5.13 105.19 109.11 1x02 n GLY 61 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 1x02 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x02 s THR 62 N -0.72 1.67 0.64 2.61 -4.23 -1.26 -4.77 115.64 109.58 1x02 s THR 62 Ca 0.00 -0.79 -0.15 0.00 -1.18 0.00 0.00 61.69 59.57 1x02 s THR 62 Cb 0.00 -1.47 -0.01 0.00 1.34 0.00 0.00 72.50 72.36 1x02 s THR 62 CO 0.00 0.47 1.08 -0.63 -0.54 0.00 0.00 174.62 175.00 1x02 s ILE 63 N 0.49 3.59 0.24 2.99 1.01 0.13 -4.81 121.20 124.84 1x02 s ILE 63 Ca -0.17 0.71 0.01 0.00 0.00 0.00 0.00 60.65 61.21 1x02 s ILE 63 Cb -0.17 -3.25 -0.00 0.00 0.01 0.00 0.00 42.46 39.04 1x02 s ILE 63 CO 0.07 -0.48 0.04 0.47 0.00 0.00 0.00 174.94 175.03 1x02 n ASP 64 N -2.35 1.89 0.00 3.58 8.00 -1.26 -0.44 116.55 125.98 1x02 n ASP 64 Ca 0.09 -2.16 -0.12 0.00 0.71 0.00 0.00 54.79 53.31 1x02 n ASP 64 Cb 0.53 0.37 -0.07 0.00 -0.02 0.00 0.00 41.12 41.93 1x02 n ASP 64 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1x02 h PHE 65 N 1.25 0.09 -0.02 1.24 3.04 -1.98 0.03 116.94 120.59 1x02 h PHE 65 Ca -0.19 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.74 1x02 h PHE 65 Cb 0.66 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 39.14 1x02 h PHE 65 CO 0.00 0.19 -0.02 -1.00 -2.02 0.00 0.00 178.31 175.45 1x02 h PRO 66 N -0.02 0.06 -0.03 6.41 0.13 -1.97 -3.22 132.00 133.36 1x02 h PRO 66 Ca 0.02 -0.03 0.01 0.00 -0.87 0.00 0.00 66.00 65.13 1x02 h PRO 66 Cb 0.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.24 1x02 h PRO 66 CO -0.00 0.53 -0.04 0.93 -0.23 0.00 0.00 178.00 179.19 1x02 h GLU 67 N -0.41 -0.06 -0.88 0.86 5.08 -1.92 -2.70 114.58 114.55 1x02 h GLU 67 Ca 0.00 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 58.57 1x02 h GLU 67 Cb 0.52 0.01 -0.16 0.00 0.50 0.00 0.00 28.75 29.62 1x02 h GLU 67 CO 0.01 -0.04 -0.08 0.35 -1.00 0.00 0.00 179.01 178.25 1x02 h PHE 68 N -0.06 -0.22 -1.19 4.33 3.57 -1.06 0.61 116.94 122.92 1x02 h PHE 68 Ca 0.03 0.07 0.39 0.00 3.53 0.00 0.00 57.97 61.99 1x02 h PHE 68 Cb 0.10 0.23 -0.14 0.00 2.79 0.00 0.00 35.95 38.94 1x02 h PHE 68 CO -0.13 -0.35 0.74 -0.07 -2.23 0.00 0.00 178.31 176.26 1x02 h LEU 69 N 0.04 0.33 0.14 0.59 3.38 -1.49 0.33 115.31 118.62 1x02 h LEU 69 Ca 0.47 0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.59 1x02 h LEU 69 Cb 0.84 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1x02 h LEU 69 CO -0.84 -0.18 -0.07 0.74 0.09 0.00 0.00 178.44 178.19 1x02 h THR 70 N 0.15 0.87 -0.69 0.22 2.02 0.13 -2.56 112.91 113.04 1x02 h THR 70 Ca 0.78 -0.02 0.02 0.00 0.77 0.00 0.00 66.41 67.97 1x02 h THR 70 Cb 2.24 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 69.49 1x02 h THR 70 CO -0.49 0.00 0.46 -0.03 0.37 0.00 0.00 175.52 175.84 1x02 h MET 71 N -0.19 0.85 -0.36 6.66 1.85 -0.42 -1.29 114.93 122.03 1x02 h MET 71 Ca -0.02 -0.05 0.04 0.00 -0.61 0.00 0.00 59.70 59.06 1x02 h MET 71 Cb 0.15 -0.19 -0.02 0.00 0.43 0.00 0.00 31.60 31.96 1x02 h MET 71 CO 0.03 0.57 0.24 0.52 -0.40 0.00 0.00 176.91 177.87 1x02 h MET 72 N 0.88 0.33 0.04 0.39 2.07 -0.96 1.34 114.93 119.02 1x02 h MET 72 Ca 0.27 -0.02 -0.00 0.00 -2.07 0.00 0.00 59.70 57.88 1x02 h MET 72 Cb -0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 31.60 29.65 1x02 h MET 72 CO -0.07 0.22 -0.02 0.00 1.07 0.00 0.00 176.91 178.11 1x02 h ALA 73 N 1.80 -0.06 0.00 6.32 0.00 -0.96 -1.70 119.26 124.66 1x02 h ALA 73 Ca 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1x02 h ALA 73 Cb 0.17 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1x02 h ALA 73 CO -0.03 -0.28 0.00 0.00 0.00 0.00 0.00 179.25 178.94 1x02 h ARG 74 N -0.57 0.00 0.00 0.00 3.08 -1.30 -3.06 114.38 112.53 1x02 h ARG 74 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1x02 h ARG 74 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1x02 h ARG 74 CO 0.01 0.00 -0.45 1.17 -1.07 0.00 0.00 179.97 179.63 1x02 n LYS 75 N -2.70 0.14 0.09 0.04 3.00 0.46 -1.62 118.16 117.56 1x02 n LYS 75 Ca 0.04 0.05 -0.16 0.00 -0.00 0.00 0.00 58.31 58.24 1x02 n LYS 75 Cb 0.46 -1.60 -0.14 0.00 0.00 0.00 0.00 35.03 33.76 1x02 n LYS 75 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.40 177.92 1x02 h MET 76 N 0.00 0.26 0.03 1.64 2.86 -1.19 -3.38 114.93 115.15 1x02 h MET 76 Ca 0.00 -0.45 -0.38 0.00 -2.06 0.00 0.00 59.70 56.81 1x02 h MET 76 Cb 0.62 0.17 -0.06 0.00 0.06 0.00 0.00 31.60 32.39 1x02 h MET 76 CO 0.00 1.19 -2.33 0.36 1.06 0.00 0.00 176.91 177.19 1x02 n LYS 77 N -3.51 0.68 -0.26 1.72 -0.00 -1.25 -4.38 118.16 111.16 1x02 n LYS 77 Ca -0.10 0.16 0.23 0.00 -0.00 0.00 0.00 58.31 58.59 1x02 n LYS 77 Cb 1.03 -1.57 0.42 0.00 -0.00 0.00 0.00 35.03 34.91 1x02 n LYS 77 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1x02 n ASP 78 N -3.23 0.21 -0.30 -5.58 8.00 -0.64 0.90 116.55 115.92 1x02 n ASP 78 Ca -0.40 1.32 0.08 0.00 0.71 0.00 0.00 54.79 56.50 1x02 n ASP 78 Cb 1.03 -0.61 0.19 0.00 -0.02 0.00 0.00 41.12 41.71 1x02 n ASP 78 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1x02 h THR 79 N 0.00 0.20 -0.62 -3.53 2.02 -1.76 0.54 112.91 109.75 1x02 h THR 79 Ca 0.64 -0.02 -0.07 0.00 0.77 0.00 0.00 66.41 67.73 1x02 h THR 79 Cb 1.64 0.13 -0.03 0.00 -1.74 0.00 0.00 68.15 68.16 1x02 h THR 79 CO -0.63 0.01 0.12 0.44 0.37 0.00 0.00 175.52 175.83 1x02 h ASP 80 N 0.06 0.94 -1.00 4.18 5.19 0.22 -2.76 116.42 123.24 1x02 h ASP 80 Ca 0.47 -0.20 0.15 0.00 -0.62 0.00 0.00 57.03 56.84 1x02 h ASP 80 Cb 0.87 -0.25 -0.09 0.00 0.18 0.00 0.00 39.33 40.03 1x02 h ASP 80 CO -0.79 0.93 0.62 0.28 -3.12 0.00 0.00 179.24 177.16 1x02 h SER 81 N 0.94 0.85 -0.71 6.45 0.02 0.09 -2.69 113.55 118.50 1x02 h SER 81 Ca 0.19 0.07 0.07 0.00 -0.84 0.00 0.00 61.79 61.28 1x02 h SER 81 Cb 0.38 -0.09 -0.09 0.00 0.14 0.00 0.00 62.40 62.74 1x02 h SER 81 CO 0.01 0.38 -0.41 1.21 -1.14 0.00 0.00 176.83 176.89 1x02 n GLU 82 N -4.68 -0.30 0.06 3.45 2.13 -0.91 0.32 120.64 120.71 1x02 n GLU 82 Ca 0.21 1.08 -0.11 0.00 0.66 0.00 0.00 57.16 58.99 1x02 n GLU 82 Cb 0.46 -1.58 -0.05 0.00 0.27 0.00 0.00 31.44 30.54 1x02 n GLU 82 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1x02 h GLU 83 N 0.00 -0.37 -1.50 5.31 5.08 -1.67 -1.29 114.58 120.14 1x02 h GLU 83 Ca 0.13 0.03 0.45 0.00 -1.00 0.00 0.00 59.36 58.96 1x02 h GLU 83 Cb 0.31 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.57 1x02 h GLU 83 CO -0.67 -0.25 1.07 0.39 -1.00 0.00 0.00 179.01 178.55 1x02 n GLU 84 N -5.36 -0.00 -0.00 2.33 -0.58 0.15 0.21 120.64 117.37 1x02 n GLU 84 Ca -0.05 0.88 -0.19 0.00 -0.42 0.00 0.00 57.16 57.38 1x02 n GLU 84 Cb 0.28 -1.98 -0.14 0.00 -0.57 0.00 0.00 31.44 29.03 1x02 n GLU 84 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 1x02 h ILE 85 N 0.00 1.44 -0.66 -3.67 2.04 -0.98 -3.34 117.51 112.34 1x02 h ILE 85 Ca 0.74 -2.43 0.08 0.00 1.00 0.00 0.00 64.86 64.25 1x02 h ILE 85 Cb 2.90 3.07 -0.10 0.00 -0.74 0.00 0.00 36.82 41.94 1x02 h ILE 85 CO -0.06 0.65 -0.52 0.03 0.00 0.00 0.00 178.15 178.25 1x02 h ARG 86 N -0.58 -0.21 -0.88 2.37 -0.00 0.25 0.24 114.38 115.58 1x02 h ARG 86 Ca -0.16 0.01 0.24 0.00 -0.50 0.00 0.00 59.98 59.57 1x02 h ARG 86 Cb 1.47 0.05 -0.14 0.00 0.00 0.00 0.00 29.97 31.35 1x02 h ARG 86 CO 0.06 -0.14 0.28 0.93 0.00 0.00 0.00 179.97 181.11 1x02 h GLU 87 N -0.22 0.24 -0.16 0.04 4.39 -1.66 0.14 114.58 117.35 1x02 h GLU 87 Ca 0.14 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1x02 h GLU 87 Cb 0.54 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1x02 h GLU 87 CO -0.74 0.16 0.10 0.00 -1.16 0.00 0.00 179.01 177.37 1x02 h ALA 88 N 1.77 0.21 0.00 3.43 0.00 -0.68 -1.83 119.26 122.15 1x02 h ALA 88 Ca 0.56 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.45 1x02 h ALA 88 Cb 1.13 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1x02 h ALA 88 CO -0.63 -0.32 -0.05 0.35 0.00 0.00 0.00 179.25 178.60 1x02 h PHE 89 N 0.21 0.00 0.38 0.00 3.57 0.21 -2.74 116.94 118.57 1x02 h PHE 89 Ca 0.06 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1x02 h PHE 89 Cb -0.02 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.72 1x02 h PHE 89 CO -0.07 0.05 -0.18 0.00 -2.23 0.00 0.00 178.31 175.88 1x02 h ARG 90 N 0.00 -0.49 -0.42 1.11 3.08 -0.29 -1.71 114.38 115.66 1x02 h ARG 90 Ca -0.00 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.12 1x02 h ARG 90 Cb 0.14 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 1x02 h ARG 90 CO 0.01 -0.20 0.18 0.28 -1.07 0.00 0.00 179.97 179.16 1x02 h VAL 91 N -0.75 0.93 -0.88 2.04 2.07 -1.29 -2.17 116.25 116.19 1x02 h VAL 91 Ca -0.05 -0.13 0.06 0.00 0.82 0.00 0.00 66.70 67.41 1x02 h VAL 91 Cb 0.51 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 1x02 h VAL 91 CO 0.09 0.07 0.55 -0.26 0.02 0.00 0.00 177.57 178.03 1x02 h PHE 92 N 0.37 1.02 -1.23 1.57 0.04 -1.49 -3.32 116.94 113.89 1x02 h PHE 92 Ca 0.19 0.03 -0.63 0.00 2.80 0.00 0.00 57.97 60.35 1x02 h PHE 92 Cb 0.13 -0.33 -0.11 0.00 2.20 0.00 0.00 35.95 37.85 1x02 h PHE 92 CO -0.12 0.51 1.59 0.34 -0.60 0.00 0.00 178.31 180.02 1x02 s ASP 93 N -5.78 6.61 0.02 2.17 -1.08 -0.65 -4.21 116.67 113.75 1x02 s ASP 93 Ca -0.13 -1.80 -0.11 0.00 -0.52 0.00 0.00 52.55 50.00 1x02 s ASP 93 Cb 0.19 -2.55 -0.06 0.00 -1.46 0.00 0.00 42.92 39.04 1x02 s ASP 93 CO 0.79 -1.36 1.16 0.11 0.52 0.00 0.00 175.17 176.40 1x02 h LYS 94 N 9.10 -0.38 -0.99 4.34 1.57 -1.76 -3.10 116.57 125.35 1x02 h LYS 94 Ca 0.26 0.03 0.14 0.00 -1.87 0.00 0.00 60.65 59.21 1x02 h LYS 94 Cb 0.97 0.09 -0.09 0.00 0.08 0.00 0.00 32.23 33.28 1x02 h LYS 94 CO 1.40 -0.25 0.61 0.38 -0.57 0.00 0.00 179.45 181.01 1x02 h ASP 95 N -0.39 0.85 -0.80 0.86 3.04 -1.92 -3.46 116.42 114.59 1x02 h ASP 95 Ca -0.04 0.07 0.00 0.00 -3.24 0.00 0.00 57.03 53.82 1x02 h ASP 95 Cb 0.30 -0.10 0.00 0.00 -1.04 0.00 0.00 39.33 38.50 1x02 h ASP 95 CO 0.07 0.40 0.00 0.61 -2.04 0.00 0.00 179.24 178.28 1x02 n GLY 96 N -1.34 0.97 0.12 7.15 0.00 -1.17 -5.00 105.19 105.91 1x02 n GLY 96 Ca 0.20 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.52 1x02 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1x02 n ASN 97 N 1.21 2.32 0.00 1.61 6.94 -1.26 -5.05 115.26 121.03 1x02 n ASN 97 Ca 0.00 -0.09 0.00 0.00 -0.02 0.00 0.00 54.58 54.47 1x02 n ASN 97 Cb 0.40 -0.35 0.00 0.00 -2.36 0.00 0.00 39.78 37.47 1x02 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1x02 n GLY 98 N 2.44 2.42 3.79 4.83 0.00 -1.26 -5.09 105.19 112.32 1x02 n GLY 98 Ca -0.38 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 1x02 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x02 s TYR 99 N 0.00 3.77 -0.49 1.61 1.51 -1.26 -2.49 117.35 120.00 1x02 s TYR 99 Ca 0.00 1.30 -0.06 0.00 -1.01 0.00 0.00 57.07 57.30 1x02 s TYR 99 Cb 0.00 -2.59 0.13 0.00 -0.11 0.00 0.00 41.96 39.39 1x02 s TYR 99 CO 0.00 0.48 0.33 0.42 -1.11 0.00 0.00 175.55 175.67 1x02 s ILE 100 N -0.72 3.88 1.16 2.71 1.01 -1.05 -4.86 121.20 123.32 1x02 s ILE 100 Ca 0.31 -2.07 -0.15 0.00 0.00 0.00 0.00 60.65 58.74 1x02 s ILE 100 Cb -0.20 -3.58 0.23 0.00 0.01 0.00 0.00 42.46 38.93 1x02 s ILE 100 CO 0.19 -0.77 0.71 -1.54 0.00 0.00 0.00 174.94 173.53 1x02 n SER 101 N 4.56 -1.94 -0.30 3.58 3.41 -1.26 -1.91 113.62 119.76 1x02 n SER 101 Ca -0.03 -0.15 -0.05 0.00 -0.26 0.00 0.00 58.87 58.39 1x02 n SER 101 Cb 0.41 -1.17 0.07 0.00 -0.26 0.00 0.00 64.21 63.26 1x02 n SER 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x02 h ALA 102 N -2.50 1.04 -0.12 7.33 0.00 -1.98 -2.74 119.26 120.28 1x02 h ALA 102 Ca -0.59 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.18 1x02 h ALA 102 Cb 1.34 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 1x02 h ALA 102 CO 0.46 0.55 0.00 0.00 0.00 0.00 0.00 179.25 180.26 1x02 h ALA 103 N 1.24 0.16 -0.37 0.00 0.00 -1.94 0.20 119.26 118.54 1x02 h ALA 103 Ca 0.29 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 55.09 1x02 h ALA 103 Cb 0.03 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.69 1x02 h ALA 103 CO -0.05 -0.15 -0.33 0.93 0.00 0.00 0.00 179.25 179.65 1x02 h GLU 104 N -0.06 -0.26 -0.23 0.00 5.08 -1.83 0.18 114.58 117.47 1x02 h GLU 104 Ca 0.03 0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 1x02 h GLU 104 Cb 0.35 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1x02 h GLU 104 CO 0.01 -0.17 -0.29 1.25 -1.00 0.00 0.00 179.01 178.80 1x02 h LEU 105 N -0.27 0.65 -0.30 1.33 6.46 -1.50 -3.13 115.31 118.55 1x02 h LEU 105 Ca 0.16 -0.50 0.07 0.00 -0.12 0.00 0.00 57.88 57.49 1x02 h LEU 105 Cb 0.54 -0.18 -0.08 0.00 -0.73 0.00 0.00 40.66 40.21 1x02 h LEU 105 CO -0.52 1.02 -0.26 -0.09 -0.62 0.00 0.00 178.44 177.97 1x02 h ARG 106 N 0.30 -0.22 -0.70 1.25 2.43 0.11 -0.37 114.38 117.17 1x02 h ARG 106 Ca 0.03 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.33 1x02 h ARG 106 Cb 0.86 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 30.38 1x02 h ARG 106 CO 0.07 -0.15 0.29 1.25 -1.51 0.00 0.00 179.97 179.92 1x02 h HIS 107 N -0.23 0.50 -0.08 2.20 2.76 -0.70 -0.14 115.15 119.46 1x02 h HIS 107 Ca 0.16 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 1x02 h HIS 107 Cb 0.48 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 29.31 1x02 h HIS 107 CO -0.44 0.11 0.05 0.28 -1.30 0.00 0.00 177.93 176.63 1x02 h VAL 108 N 0.47 1.01 -0.29 5.26 2.07 -1.14 -2.88 116.25 120.74 1x02 h VAL 108 Ca 0.36 -0.03 0.02 0.00 0.82 0.00 0.00 66.70 67.87 1x02 h VAL 108 Cb 0.49 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1x02 h VAL 108 CO -0.34 0.02 0.14 0.24 0.02 0.00 0.00 177.57 177.64 1x02 h MET 109 N 0.10 0.29 -0.71 1.57 2.86 -0.32 -2.82 114.93 115.90 1x02 h MET 109 Ca 0.03 -0.02 0.13 0.00 -2.06 0.00 0.00 59.70 57.79 1x02 h MET 109 Cb -0.00 -0.06 -0.13 0.00 0.06 0.00 0.00 31.60 31.46 1x02 h MET 109 CO -0.01 0.19 -0.26 1.15 1.06 0.00 0.00 176.91 179.03 1x02 h THR 110 N 0.29 0.20 -0.87 2.22 2.02 -0.85 0.16 112.91 116.08 1x02 h THR 110 Ca 0.12 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.53 1x02 h THR 110 Cb 0.05 0.20 -0.15 0.00 -1.74 0.00 0.00 68.15 66.51 1x02 h THR 110 CO -0.09 0.00 0.14 0.78 0.37 0.00 0.00 175.52 176.72 1x02 h ASN 111 N -0.06 -0.19 -0.81 4.18 2.35 -1.32 0.15 115.58 119.88 1x02 h ASN 111 Ca 0.31 0.21 0.33 0.00 -0.55 0.00 0.00 56.30 56.61 1x02 h ASN 111 Cb 0.55 0.33 -0.15 0.00 0.05 0.00 0.00 38.32 39.11 1x02 h ASN 111 CO -0.75 -0.21 0.42 0.18 -1.65 0.00 0.00 177.43 175.42 1x02 n LEU 112 N -5.31 0.26 0.00 1.61 4.77 0.56 -4.75 117.00 114.14 1x02 n LEU 112 Ca 0.20 1.34 0.00 0.00 -0.03 0.00 0.00 56.01 57.52 1x02 n LEU 112 Cb 0.65 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1x02 n LEU 112 CO 0.03 -1.50 0.00 0.61 -1.33 0.00 0.00 177.39 175.20 1x02 n GLY 113 N -1.22 4.35 3.66 -0.72 0.00 0.54 -5.13 105.19 106.67 1x02 n GLY 113 Ca 0.30 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.32 1x02 n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x02 s GLU 114 N 0.00 0.76 -0.44 1.61 0.41 -1.25 -5.01 118.70 114.77 1x02 s GLU 114 Ca 0.00 0.95 -0.01 0.00 -0.41 0.00 0.00 54.97 55.50 1x02 s GLU 114 Cb 0.00 -1.74 0.12 0.00 -1.78 0.00 0.00 34.13 30.73 1x02 s GLU 114 CO 0.00 -2.62 0.22 0.15 -0.49 0.00 0.00 175.26 172.52 1x02 s LYS 115 N -4.79 2.01 0.36 1.61 1.02 -1.26 -4.54 119.74 114.14 1x02 s LYS 115 Ca 0.65 -2.02 0.07 0.00 0.02 0.00 0.00 55.97 54.68 1x02 s LYS 115 Cb -0.20 -3.52 -0.00 0.00 -0.52 0.00 0.00 37.83 33.58 1x02 s LYS 115 CO 0.59 -1.07 0.50 -0.51 -0.92 0.00 0.00 175.35 173.94 1x02 s LEU 116 N 0.76 3.89 0.19 3.17 1.43 -1.26 -5.11 118.68 121.75 1x02 s LEU 116 Ca 0.11 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.01 1x02 s LEU 116 Cb -0.22 -2.75 -0.05 0.00 0.03 0.00 0.00 46.19 43.20 1x02 s LEU 116 CO -0.04 -0.51 0.01 0.42 0.23 0.00 0.00 176.35 176.45 1x02 s THR 117 N -2.23 0.73 0.31 5.49 -4.23 -1.26 -4.99 115.64 109.47 1x02 s THR 117 Ca 0.47 -1.99 0.14 0.00 -1.18 0.00 0.00 61.69 59.13 1x02 s THR 117 Cb -0.10 -2.18 0.32 0.00 1.34 0.00 0.00 72.50 71.88 1x02 s THR 117 CO 0.32 -0.43 1.37 -0.67 -0.54 0.00 0.00 174.62 174.67 1x02 n ASP 118 N -0.28 0.20 0.19 3.99 -0.08 -1.26 0.73 116.55 120.03 1x02 n ASP 118 Ca -0.06 1.45 -0.14 0.00 -1.51 0.00 0.00 54.79 54.52 1x02 n ASP 118 Cb 0.63 -0.66 -0.08 0.00 2.34 0.00 0.00 41.12 43.35 1x02 n ASP 118 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1x02 h GLU 119 N 0.00 -0.43 -0.49 -0.67 4.39 -1.98 0.23 114.58 115.62 1x02 h GLU 119 Ca 0.68 0.03 0.10 0.00 0.34 0.00 0.00 59.36 60.51 1x02 h GLU 119 Cb 1.72 0.10 -0.09 0.00 -0.10 0.00 0.00 28.75 30.38 1x02 h GLU 119 CO -0.71 -0.20 -0.12 0.93 -1.16 0.00 0.00 179.01 177.75 1x02 h GLU 120 N -0.58 0.00 -0.55 2.33 4.39 -0.08 -1.08 114.58 119.01 1x02 h GLU 120 Ca -0.05 -0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.54 1x02 h GLU 120 Cb 0.43 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1x02 h GLU 120 CO 0.07 0.00 -0.09 0.28 -1.16 0.00 0.00 179.01 178.11 1x02 h VAL 121 N 0.00 1.27 -0.86 3.13 2.07 -1.26 -3.04 116.25 117.55 1x02 h VAL 121 Ca 0.24 -1.25 0.21 0.00 0.82 0.00 0.00 66.70 66.72 1x02 h VAL 121 Cb 0.36 0.94 -0.13 0.00 -1.52 0.00 0.00 31.29 30.94 1x02 h VAL 121 CO -0.50 0.45 0.29 0.44 0.02 0.00 0.00 177.57 178.27 1x02 h ASP 122 N 0.92 0.15 0.09 0.57 3.32 0.76 0.84 116.42 123.07 1x02 h ASP 122 Ca 0.15 0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 1x02 h ASP 122 Cb 0.66 0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.41 1x02 h ASP 122 CO 0.05 -0.07 -0.06 -0.33 -1.72 0.00 0.00 179.24 177.11 1x02 h GLU 123 N 0.30 0.00 0.04 3.56 5.08 -1.32 -2.62 114.58 119.61 1x02 h GLU 123 Ca 0.53 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.89 1x02 h GLU 123 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1x02 h GLU 123 CO -0.57 0.06 -0.02 1.98 -1.00 0.00 0.00 179.01 179.46 1x02 h MET 124 N 0.00 -0.05 -1.01 2.33 4.05 0.58 -3.29 114.93 117.54 1x02 h MET 124 Ca -0.00 0.00 0.27 0.00 -0.28 0.00 0.00 59.70 59.69 1x02 h MET 124 Cb 0.12 0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 30.87 1x02 h MET 124 CO 0.01 0.60 0.69 0.82 0.23 0.00 0.00 176.91 179.26 1x02 h ILE 125 N -0.91 0.53 -0.07 1.77 1.08 -1.00 0.94 117.51 119.84 1x02 h ILE 125 Ca -0.01 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 1x02 h ILE 125 Cb 0.67 0.31 0.00 0.00 -3.07 0.00 0.00 36.82 34.73 1x02 h ILE 125 CO 0.01 0.04 0.00 -2.11 -0.69 0.00 0.00 178.15 175.40 1x02 n ARG 126 N -4.41 1.42 -0.01 2.37 1.85 -1.01 -0.85 116.66 116.03 1x02 n ARG 126 Ca 0.23 -0.37 -0.01 0.00 -1.00 0.00 0.00 57.85 56.70 1x02 n ARG 126 Cb 0.95 -1.49 -0.01 0.00 -1.05 0.00 0.00 32.46 30.86 1x02 n ARG 126 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 1x02 n GLU 127 N 0.02 2.28 -0.05 2.89 2.13 0.32 -4.82 120.64 123.40 1x02 n GLU 127 Ca 0.03 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.80 1x02 n GLU 127 Cb 0.31 -1.03 -0.07 0.00 0.27 0.00 0.00 31.44 30.92 1x02 n GLU 127 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1x02 n ALA 128 N -2.25 1.76 -1.57 4.31 0.00 -1.15 -4.95 120.51 116.68 1x02 n ALA 128 Ca -0.02 -0.59 -0.40 0.00 0.00 0.00 0.00 53.44 52.43 1x02 n ALA 128 Cb 0.53 0.09 -0.03 0.00 0.00 0.00 0.00 19.45 20.04 1x02 n ALA 128 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1x02 n ASP 129 N -2.46 2.71 0.05 0.00 -0.08 -0.03 -4.75 116.55 112.00 1x02 n ASP 129 Ca -0.16 -0.12 -0.03 0.00 -1.51 0.00 0.00 54.79 52.97 1x02 n ASP 129 Cb 0.79 -1.54 -0.01 0.00 2.34 0.00 0.00 41.12 42.69 1x02 n ASP 129 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 1x02 h ILE 130 N 7.43 0.00 -0.54 5.18 1.08 -1.86 -3.35 117.51 125.44 1x02 h ILE 130 Ca -0.32 -0.50 0.10 0.00 -0.39 0.00 0.00 64.86 63.76 1x02 h ILE 130 Cb 1.26 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.93 1x02 h ILE 130 CO 1.06 0.00 0.07 -2.24 -0.69 0.00 0.00 178.15 176.35 1x02 h ASP 131 N -0.68 -0.09 -0.66 1.72 3.04 -1.93 -3.47 116.42 114.36 1x02 h ASP 131 Ca -0.02 0.11 0.00 0.00 -3.24 0.00 0.00 57.03 53.88 1x02 h ASP 131 Cb 0.14 0.17 0.00 0.00 -1.04 0.00 0.00 39.33 38.60 1x02 h ASP 131 CO 0.03 -0.02 0.00 0.61 -2.04 0.00 0.00 179.24 177.82 1x02 n GLY 132 N -1.31 0.51 0.44 7.15 0.00 -1.26 -5.01 105.19 105.71 1x02 n GLY 132 Ca 0.07 -0.17 0.04 0.00 0.00 0.00 0.00 46.02 45.97 1x02 n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1x02 n ASP 133 N -0.29 2.42 0.00 1.61 5.68 -1.26 -4.96 116.55 119.75 1x02 n ASP 133 Ca 0.00 -1.82 0.00 0.00 -0.50 0.00 0.00 54.79 52.47 1x02 n ASP 133 Cb 0.17 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 40.02 1x02 n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1x02 n GLY 134 N 0.33 0.63 3.14 6.12 0.00 -1.26 -5.07 105.19 109.09 1x02 n GLY 134 Ca 0.08 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.26 1x02 n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x02 s GLN 135 N -3.31 0.84 -0.51 1.61 -0.21 -1.26 -3.96 119.66 112.86 1x02 s GLN 135 Ca 0.00 -1.34 0.03 0.00 0.02 0.00 0.00 55.36 54.07 1x02 s GLN 135 Cb 0.00 0.24 0.15 0.00 1.00 0.00 0.00 33.01 34.41 1x02 s GLN 135 CO 0.00 -0.22 0.34 0.08 -2.12 0.00 0.00 175.29 173.37 1x02 s VAL 136 N -4.00 1.53 0.96 1.09 1.01 -0.80 -4.47 120.40 115.71 1x02 s VAL 136 Ca 0.18 -3.06 -0.12 0.00 0.00 0.00 0.00 61.98 58.98 1x02 s VAL 136 Cb 0.07 -2.04 0.16 0.00 0.00 0.00 0.00 36.38 34.58 1x02 s VAL 136 CO -0.02 -1.02 1.09 0.54 0.00 0.00 0.00 175.10 175.68 1x02 s ASN 137 N -0.24 2.85 0.14 3.32 2.20 -1.26 -2.52 114.94 119.44 1x02 s ASN 137 Ca 0.24 1.60 -0.32 0.00 -0.94 0.00 0.00 52.86 53.44 1x02 s ASN 137 Cb -0.11 -2.26 -0.09 0.00 -2.00 0.00 0.00 41.25 36.80 1x02 s ASN 137 CO -0.10 -3.05 1.55 0.22 -2.94 0.00 0.00 177.10 172.78 1x02 h TYR 138 N -1.83 -1.72 -0.54 1.54 3.20 -1.89 0.19 116.97 115.91 1x02 h TYR 138 Ca -0.51 0.10 0.11 0.00 3.14 0.00 0.00 58.73 61.56 1x02 h TYR 138 Cb 1.29 0.83 -0.10 0.00 1.54 0.00 0.00 36.73 40.29 1x02 h TYR 138 CO 0.40 -0.46 -0.12 1.49 -1.64 0.00 0.00 178.16 177.83 1x02 h GLU 139 N -0.28 0.01 -0.89 1.82 4.81 -1.91 0.38 114.58 118.51 1x02 h GLU 139 Ca 0.11 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.39 1x02 h GLU 139 Cb 0.55 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.87 1x02 h GLU 139 CO -0.70 0.01 0.58 0.93 -0.73 0.00 0.00 179.01 179.10 1x02 h GLU 140 N 0.01 1.01 -0.25 1.92 5.08 -1.34 -1.00 114.58 120.01 1x02 h GLU 140 Ca 0.26 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.39 1x02 h GLU 140 Cb 0.40 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1x02 h GLU 140 CO -0.55 0.67 -0.50 0.35 -1.00 0.00 0.00 179.01 177.98 1x02 h PHE 141 N 1.04 0.98 0.26 4.33 3.57 0.18 -2.93 116.94 124.37 1x02 h PHE 141 Ca 0.38 -0.36 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1x02 h PHE 141 Cb 0.15 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.71 1x02 h PHE 141 CO -0.00 1.16 -0.13 0.28 -2.23 0.00 0.00 178.31 177.39 1x02 h VAL 142 N 0.52 0.75 -0.69 1.41 2.07 0.28 -1.74 116.25 118.85 1x02 h VAL 142 Ca 0.01 -0.02 0.11 0.00 0.82 0.00 0.00 66.70 67.62 1x02 h VAL 142 Cb 1.11 0.76 -0.08 0.00 -1.52 0.00 0.00 31.29 31.55 1x02 h VAL 142 CO 0.11 0.00 0.28 1.56 0.02 0.00 0.00 177.57 179.54 1x02 h GLN 143 N -0.36 0.44 -0.37 1.57 1.08 -1.27 0.29 115.11 116.49 1x02 h GLN 143 Ca -0.04 -0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.15 1x02 h GLN 143 Cb 0.28 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 1x02 h GLN 143 CO 0.06 0.29 0.23 1.98 -0.95 0.00 0.00 178.83 180.45 1x02 h MET 144 N 0.46 0.46 -0.54 1.46 4.05 -1.31 0.63 114.93 120.14 1x02 h MET 144 Ca 0.36 -0.03 -0.10 0.00 -0.28 0.00 0.00 59.70 59.65 1x02 h MET 144 Cb 0.48 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.16 1x02 h MET 144 CO -0.34 0.31 -0.06 0.52 0.23 0.00 0.00 176.91 177.56 1x02 h MET 145 N 0.48 0.98 0.00 0.39 2.86 -0.36 -2.79 114.93 116.49 1x02 h MET 145 Ca 0.14 -0.33 -0.09 0.00 -2.06 0.00 0.00 59.70 57.36 1x02 h MET 145 Cb -0.03 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 1x02 h MET 145 CO -0.05 1.00 -0.42 1.79 1.06 0.00 0.00 176.91 180.30 1x02 h THR 146 N 0.88 0.86 -0.88 2.22 1.35 -0.08 -3.45 112.91 113.81 1x02 h THR 146 Ca 0.15 -1.75 -0.52 0.00 -0.55 0.00 0.00 66.41 63.73 1x02 h THR 146 Cb 0.60 2.10 -0.01 0.00 -1.73 0.00 0.00 68.15 69.11 1x02 h THR 146 CO 0.04 0.41 -0.24 0.00 -0.25 0.00 0.00 175.52 175.47 1x02 s ALA 147 N -3.37 4.47 0.00 6.62 0.00 0.22 -4.94 121.76 124.75 1x02 s ALA 147 Ca 0.01 -1.72 0.00 0.00 0.00 0.00 0.00 51.96 50.26 1x02 s ALA 147 Cb 0.10 -1.10 0.00 0.00 0.00 0.00 0.00 23.12 22.12 1x02 s ALA 147 CO 0.70 -0.54 0.00 0.36 0.00 0.00 0.00 175.76 176.28