#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 -0.27 0.00 5.19 -2.11 -3.31 116.42 115.91 1x02 h ASP 2 Ca 0.00 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.33 1x02 h ASP 2 Cb 0.00 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.46 1x02 h ASP 2 CO 0.00 0.89 0.11 0.00 -3.12 0.00 0.00 179.24 177.11 1x02 n GLN 3 N -3.09 1.97 -3.80 3.56 1.13 -1.26 -4.64 117.38 111.26 1x02 n GLN 3 Ca -0.11 -1.10 -0.30 0.00 -1.94 0.00 0.00 57.00 53.55 1x02 n GLN 3 Cb 0.97 -1.62 -0.14 0.00 0.11 0.00 0.00 30.24 29.56 1x02 n GLN 3 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1x02 s LEU 4 N -1.07 3.02 0.00 1.08 1.43 -1.25 -4.65 118.68 117.23 1x02 s LEU 4 Ca 0.20 -2.05 0.00 0.00 -1.03 0.00 0.00 54.13 51.24 1x02 s LEU 4 Cb 0.16 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 45.26 1x02 s LEU 4 CO 0.05 -0.36 0.00 0.41 0.23 0.00 0.00 176.35 176.67 1x02 n THR 5 N 4.32 0.00 0.00 5.49 -1.04 -1.26 -4.96 114.28 116.83 1x02 n THR 5 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1x02 n THR 5 Cb 0.40 -0.26 0.00 0.00 -1.82 0.00 0.00 70.33 68.65 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 -2.47 2.76 -0.02 -2.82 1.02 -1.26 -4.45 120.64 113.39 1x02 n GLU 6 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 1x02 n GLU 6 Cb 0.00 -0.74 -0.02 0.00 -0.02 0.00 0.00 31.44 30.66 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 0.71 0.00 3.49 9.09 -1.94 -3.09 114.58 122.84 1x02 h GLU 7 Ca 0.00 -0.52 -0.04 0.00 0.05 0.00 0.00 59.36 58.85 1x02 h GLU 7 Cb 0.00 0.09 -0.01 0.00 -1.65 0.00 0.00 28.75 27.18 1x02 h GLU 7 CO 0.00 1.14 -0.58 1.96 0.05 0.00 0.00 179.01 181.58 1x02 h GLN 8 N 0.52 0.00 -0.98 1.06 1.08 -1.86 -3.35 115.11 111.58 1x02 h GLN 8 Ca -0.02 0.00 0.38 0.00 -1.45 0.00 0.00 58.65 57.56 1x02 h GLN 8 Cb 1.26 0.00 -0.18 0.00 -0.05 0.00 0.00 27.48 28.51 1x02 h GLN 8 CO 0.13 0.21 0.41 -0.89 -0.95 0.00 0.00 178.83 177.74 1x02 n ILE 9 N -4.60 -0.41 -0.09 2.54 -0.00 -1.26 0.11 119.36 115.65 1x02 n ILE 9 Ca -0.11 2.03 -0.09 0.00 -0.00 0.00 0.00 62.75 64.59 1x02 n ILE 9 Cb 0.32 -3.22 -0.01 0.00 -0.00 0.00 0.00 39.64 36.72 1x02 n ILE 9 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1x02 h ALA 10 N 1.96 0.40 0.41 -1.39 0.00 -1.71 0.18 119.26 119.12 1x02 h ALA 10 Ca 0.78 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.65 1x02 h ALA 10 Cb 1.97 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1x02 h ALA 10 CO -0.80 -0.13 -0.20 0.93 0.00 0.00 0.00 179.25 179.05 1x02 h GLU 11 N 0.43 -0.53 -0.04 0.00 4.39 0.68 0.20 114.58 119.71 1x02 h GLU 11 Ca 0.12 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 1x02 h GLU 11 Cb -0.05 0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1x02 h GLU 11 CO -0.03 -0.35 -0.04 0.74 -1.16 0.00 0.00 179.01 178.18 1x02 h PHE 12 N -0.57 0.05 0.27 4.33 -1.00 -1.23 -2.55 116.94 116.24 1x02 h PHE 12 Ca -0.06 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.71 1x02 h PHE 12 Cb 0.44 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.98 1x02 h PHE 12 CO -0.04 0.09 -0.13 -0.22 -1.61 0.00 0.00 178.31 176.40 1x02 h LYS 13 N 0.05 -0.35 -0.92 1.51 3.64 -0.19 -2.67 116.57 117.64 1x02 h LYS 13 Ca 0.01 0.02 0.26 0.00 -1.27 0.00 0.00 60.65 59.67 1x02 h LYS 13 Cb 0.11 0.08 -0.16 0.00 -0.41 0.00 0.00 32.23 31.85 1x02 h LYS 13 CO 0.01 -0.24 0.15 0.93 -2.27 0.00 0.00 179.45 178.03 1x02 h GLU 14 N -0.65 0.10 -0.29 1.90 4.39 -0.92 1.32 114.58 120.42 1x02 h GLU 14 Ca -0.04 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 1x02 h GLU 14 Cb 0.28 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 1x02 h GLU 14 CO 0.06 0.07 0.10 0.00 -1.16 0.00 0.00 179.01 178.07 1x02 h ALA 15 N 1.87 1.62 0.00 3.43 0.00 -1.52 -0.91 119.26 123.75 1x02 h ALA 15 Ca 0.58 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1x02 h ALA 15 Cb 1.20 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1x02 h ALA 15 CO -0.77 0.30 -0.54 0.34 0.00 0.00 0.00 179.25 178.58 1x02 n PHE 16 N -4.40 0.33 0.06 0.00 7.35 0.40 -3.90 117.46 117.30 1x02 n PHE 16 Ca 0.01 0.10 -0.22 0.00 -0.76 0.00 0.00 57.45 56.57 1x02 n PHE 16 Cb 0.15 -0.51 -0.15 0.00 0.35 0.00 0.00 39.48 39.32 1x02 n PHE 16 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 1x02 h SER 17 N 0.00 0.56 -1.00 -2.13 0.02 0.12 -3.09 113.55 108.03 1x02 h SER 17 Ca 0.00 -0.91 0.02 0.00 -0.84 0.00 0.00 61.79 60.06 1x02 h SER 17 Cb 0.64 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.95 1x02 h SER 17 CO 0.00 1.70 0.66 0.17 -1.14 0.00 0.00 176.83 178.22 1x02 h LEU 18 N -0.06 1.11 -0.28 5.07 8.10 -1.35 -2.59 115.31 125.32 1x02 h LEU 18 Ca -0.31 -0.02 -0.10 0.00 0.11 0.00 0.00 57.88 57.56 1x02 h LEU 18 Cb 1.97 -0.27 -0.01 0.00 -0.44 0.00 0.00 40.66 41.91 1x02 h LEU 18 CO 0.15 0.78 -0.23 -0.26 -4.11 0.00 0.00 178.44 174.77 1x02 h PHE 19 N 1.30 0.77 -1.40 0.17 0.04 -1.70 -3.40 116.94 112.73 1x02 h PHE 19 Ca 0.38 -0.22 -0.40 0.00 2.80 0.00 0.00 57.97 60.53 1x02 h PHE 19 Cb -0.08 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 37.87 1x02 h PHE 19 CO -0.00 0.94 1.07 0.34 -0.60 0.00 0.00 178.31 180.06 1x02 s ASP 20 N -6.44 5.20 -0.11 2.17 2.15 -0.98 -4.68 116.67 113.98 1x02 s ASP 20 Ca -0.13 -0.12 -0.19 0.00 0.43 0.00 0.00 52.55 52.54 1x02 s ASP 20 Cb 0.08 -2.54 -0.27 0.00 -0.30 0.00 0.00 42.92 39.89 1x02 s ASP 20 CO 0.81 -2.55 0.61 0.11 -0.17 0.00 0.00 175.17 173.98 1x02 h LYS 21 N 13.32 0.20 -0.44 4.34 1.79 -1.79 -3.36 116.57 130.63 1x02 h LYS 21 Ca -0.10 -0.34 0.00 0.00 -2.18 0.00 0.00 60.65 58.04 1x02 h LYS 21 Cb 1.09 0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 31.84 1x02 h LYS 21 CO 1.21 1.16 0.28 0.38 -1.08 0.00 0.00 179.45 181.41 1x02 h ASP 22 N -0.48 0.52 -0.10 0.86 3.04 -1.94 -3.47 116.42 114.85 1x02 h ASP 22 Ca -0.24 -0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.52 1x02 h ASP 22 Cb 1.60 -0.13 0.00 0.00 -1.04 0.00 0.00 39.33 39.76 1x02 h ASP 22 CO 0.04 0.39 0.00 0.61 -2.04 0.00 0.00 179.24 178.24 1x02 n GLY 23 N -1.17 0.98 0.37 7.15 0.00 -1.26 -5.04 105.19 106.23 1x02 n GLY 23 Ca 0.01 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 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 0.14 1.49 0.00 1.61 5.75 -1.26 -5.05 116.55 119.23 1x02 n ASP 24 Ca 0.00 0.20 0.00 0.00 -0.01 0.00 0.00 54.79 54.98 1x02 n ASP 24 Cb 0.05 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 39.59 1x02 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x02 n GLY 25 N 1.87 0.81 3.23 6.12 0.00 -1.26 -5.14 105.19 110.82 1x02 n GLY 25 Ca -0.38 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.81 0.03 -0.74 2.61 -4.23 -1.26 -4.04 115.64 107.20 1x02 s THR 26 Ca 0.00 -0.29 -0.04 0.00 -1.18 0.00 0.00 61.69 60.18 1x02 s THR 26 Cb 0.00 -0.56 0.19 0.00 1.34 0.00 0.00 72.50 73.47 1x02 s THR 26 CO 0.00 -0.16 0.59 -0.63 -0.54 0.00 0.00 174.62 173.89 1x02 s ILE 27 N -0.73 4.16 0.51 2.99 1.01 0.98 -4.73 121.20 125.39 1x02 s ILE 27 Ca -0.08 -3.21 -0.04 0.00 0.00 0.00 0.00 60.65 57.32 1x02 s ILE 27 Cb -0.04 -3.65 -0.02 0.00 0.01 0.00 0.00 42.46 38.77 1x02 s ILE 27 CO 0.03 -0.97 0.79 0.28 0.00 0.00 0.00 174.94 175.07 1x02 s THR 28 N -0.47 4.37 0.42 2.92 -1.32 -1.26 -3.18 115.64 117.11 1x02 s THR 28 Ca 0.21 -0.01 0.29 0.00 -1.21 0.00 0.00 61.69 60.97 1x02 s THR 28 Cb -0.15 -3.67 0.46 0.00 -1.51 0.00 0.00 72.50 67.64 1x02 s THR 28 CO -0.07 -0.63 1.59 0.71 -2.21 0.00 0.00 174.62 174.01 1x02 h THR 29 N 0.15 0.03 -0.86 5.08 1.35 -1.92 1.47 112.91 118.21 1x02 h THR 29 Ca -0.46 -0.01 -0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1x02 h THR 29 Cb 1.23 0.00 -0.04 0.00 -1.73 0.00 0.00 68.15 67.61 1x02 h THR 29 CO 0.61 0.00 0.53 0.50 -0.25 0.00 0.00 175.52 176.91 1x02 h LYS 30 N 0.02 1.16 0.00 4.72 3.11 -1.96 0.60 116.57 124.23 1x02 h LYS 30 Ca 0.87 -0.10 -0.11 0.00 -2.81 0.00 0.00 60.65 58.49 1x02 h LYS 30 Cb 2.65 -0.25 -0.02 0.00 -1.00 0.00 0.00 32.23 33.62 1x02 h LYS 30 CO -0.53 0.81 -0.62 0.93 -2.81 0.00 0.00 179.45 177.23 1x02 h GLU 31 N 1.18 0.00 -0.98 1.90 5.08 0.15 -3.10 114.58 118.81 1x02 h GLU 31 Ca 0.31 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.69 1x02 h GLU 31 Cb -0.06 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 1x02 h GLU 31 CO -0.06 0.95 0.65 1.25 -1.00 0.00 0.00 179.01 180.80 1x02 h LEU 32 N -1.00 1.11 -0.89 1.33 5.85 -0.39 -1.21 115.31 120.11 1x02 h LEU 32 Ca -0.17 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1x02 h LEU 32 Cb 1.11 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.87 1x02 h LEU 32 CO -0.10 0.79 0.00 1.23 -0.34 0.00 0.00 178.44 180.01 1x02 h GLY 33 N 1.30 0.00 2.00 3.75 0.00 0.07 0.51 103.07 110.69 1x02 h GLY 33 Ca 0.37 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.56 1x02 h GLY 33 CO -0.09 0.00 -0.68 0.00 0.00 0.00 0.00 176.54 175.76 1x02 h THR 34 N 0.00 1.23 0.02 4.70 1.03 -1.14 -3.16 112.91 115.58 1x02 h THR 34 Ca 0.00 -2.59 -0.38 0.00 -0.01 0.00 0.00 66.41 63.42 1x02 h THR 34 Cb 0.67 2.51 -0.06 0.00 -1.07 0.00 0.00 68.15 70.20 1x02 h THR 34 CO 0.00 0.67 -2.38 0.52 -0.01 0.00 0.00 175.52 174.32 1x02 n VAL 35 N -3.34 1.54 -0.17 0.00 0.31 -1.00 -3.88 118.33 111.78 1x02 n VAL 35 Ca 0.01 -0.60 0.10 0.00 -0.01 0.00 0.00 64.34 63.84 1x02 n VAL 35 Cb 0.78 -1.42 0.42 0.00 -0.91 0.00 0.00 33.84 32.71 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 0.01 0.57 0.00 5.55 2.86 -1.03 0.84 114.93 123.74 1x02 h MET 36 Ca -0.55 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.02 1x02 h MET 36 Cb 1.94 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 33.47 1x02 h MET 36 CO -0.05 0.38 -0.20 0.07 1.06 0.00 0.00 176.91 178.17 1x02 h ARG 37 N 0.59 0.00 0.00 1.72 -0.00 -1.74 -1.89 114.38 113.05 1x02 h ARG 37 Ca 0.34 0.00 -0.07 0.00 -0.00 0.00 0.00 59.98 60.25 1x02 h ARG 37 Cb 0.52 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.48 1x02 h ARG 37 CO -0.12 0.19 -0.33 0.77 -0.00 0.00 0.00 179.97 180.48 1x02 h SER 38 N 0.00 0.00 0.30 0.08 0.02 -0.94 -3.02 113.55 109.99 1x02 h SER 38 Ca -0.00 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.61 1x02 h SER 38 Cb 1.15 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.70 1x02 h SER 38 CO 0.02 0.33 -1.64 -0.07 -1.14 0.00 0.00 176.83 174.34 1x02 h LEU 39 N 0.00 0.57 0.00 5.07 3.38 -1.52 -3.48 115.31 119.32 1x02 h LEU 39 Ca -0.00 -0.78 0.00 0.00 0.09 0.00 0.00 57.88 57.18 1x02 h LEU 39 Cb 0.60 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1x02 h LEU 39 CO 0.04 1.65 0.00 0.61 0.09 0.00 0.00 178.44 180.84 1x02 n GLY 40 N 1.77 0.27 0.44 0.83 0.00 -1.14 -5.09 105.19 102.27 1x02 n GLY 40 Ca -0.21 0.00 -0.02 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 0.00 0.10 -3.07 1.61 1.13 -0.72 -5.01 117.38 111.41 1x02 n GLN 41 Ca 0.00 0.04 -0.13 0.00 -1.94 0.00 0.00 57.00 54.97 1x02 n GLN 41 Cb 0.00 -0.52 0.07 0.00 0.11 0.00 0.00 30.24 29.90 1x02 n GLN 41 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1x02 n ASN 42 N -2.98 -3.61 -4.77 1.08 2.85 -1.24 -4.91 115.26 101.68 1x02 n ASN 42 Ca -0.03 -0.54 -0.31 0.00 -0.11 0.00 0.00 54.58 53.59 1x02 n ASN 42 Cb 0.09 -4.32 0.09 0.00 1.24 0.00 0.00 39.78 36.88 1x02 n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1x02 s PRO 43 N -4.71 2.30 0.44 1.20 0.04 -1.26 -5.02 135.00 128.00 1x02 s PRO 43 Ca 0.16 1.19 0.01 0.00 0.04 0.00 0.00 61.00 62.40 1x02 s PRO 43 Cb -0.02 -1.90 -0.00 0.00 0.04 0.00 0.00 34.50 32.62 1x02 s PRO 43 CO 0.60 -1.61 0.65 0.95 0.04 0.00 0.00 177.00 177.64 1x02 s THR 44 N -2.85 3.87 0.28 1.26 -4.23 -1.26 -4.82 115.64 107.89 1x02 s THR 44 Ca 0.62 -0.58 -0.01 0.00 -1.18 0.00 0.00 61.69 60.53 1x02 s THR 44 Cb -0.17 -3.42 0.34 0.00 1.34 0.00 0.00 72.50 70.59 1x02 s THR 44 CO 0.55 -0.28 1.61 -0.33 -0.54 0.00 0.00 174.62 175.63 1x02 h GLU 45 N 0.44 0.09 -0.63 3.99 5.08 -1.98 0.50 114.58 122.06 1x02 h GLU 45 Ca -0.46 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 57.89 1x02 h GLU 45 Cb 1.26 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 1x02 h GLU 45 CO 0.56 0.06 0.35 0.00 -1.00 0.00 0.00 179.01 178.98 1x02 h ALA 46 N 1.84 0.81 -0.30 3.43 0.00 -1.98 0.17 119.26 123.23 1x02 h ALA 46 Ca 0.52 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.31 1x02 h ALA 46 Cb 1.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1x02 h ALA 46 CO -0.77 0.32 0.07 0.93 0.00 0.00 0.00 179.25 179.80 1x02 h GLU 47 N 0.86 0.48 -0.22 0.00 5.08 -0.53 -0.21 114.58 120.05 1x02 h GLU 47 Ca 0.22 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1x02 h GLU 47 Cb 0.03 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1x02 h GLU 47 CO -0.04 0.56 0.04 -0.07 -1.00 0.00 0.00 179.01 178.50 1x02 h LEU 48 N 0.32 0.34 -1.00 1.33 3.38 -0.50 -2.05 115.31 117.14 1x02 h LEU 48 Ca 0.09 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1x02 h LEU 48 Cb 0.30 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1x02 h LEU 48 CO 0.00 0.51 0.47 1.56 0.09 0.00 0.00 178.44 181.07 1x02 h GLN 49 N 0.16 1.17 -0.26 1.13 1.08 -0.62 0.11 115.11 117.89 1x02 h GLN 49 Ca 0.07 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 1x02 h GLN 49 Cb 0.31 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 1x02 h GLN 49 CO 0.00 0.85 0.12 -0.44 -0.95 0.00 0.00 178.83 178.42 1x02 h ASP 50 N 1.18 0.34 -0.40 1.46 3.32 -0.87 0.24 116.42 121.69 1x02 h ASP 50 Ca 0.30 -0.13 -0.11 0.00 0.02 0.00 0.00 57.03 57.10 1x02 h ASP 50 Cb 0.02 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1x02 h ASP 50 CO -0.05 0.38 -0.20 0.24 -1.72 0.00 0.00 179.24 177.89 1x02 h MET 51 N 0.28 0.84 0.63 3.56 2.86 -1.07 -2.77 114.93 119.27 1x02 h MET 51 Ca 0.09 -0.37 -0.03 0.00 -2.06 0.00 0.00 59.70 57.33 1x02 h MET 51 Cb 0.13 -0.02 0.01 0.00 0.06 0.00 0.00 31.60 31.77 1x02 h MET 51 CO -0.01 1.00 -0.30 0.82 1.06 0.00 0.00 176.91 179.48 1x02 h ILE 52 N 0.65 0.00 -0.88 -1.22 2.04 -0.65 -3.21 117.51 114.25 1x02 h ILE 52 Ca 0.09 -0.24 0.22 0.00 1.00 0.00 0.00 64.86 65.93 1x02 h ILE 52 Cb 0.75 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.67 1x02 h ILE 52 CO 0.06 0.00 0.02 0.78 0.00 0.00 0.00 178.15 179.01 1x02 h ASN 53 N -1.09 -0.41 -0.86 1.72 2.35 -0.61 0.29 115.58 116.96 1x02 h ASN 53 Ca -0.09 0.24 0.11 0.00 -0.55 0.00 0.00 56.30 56.01 1x02 h ASN 53 Cb 0.65 0.42 -0.12 0.00 0.05 0.00 0.00 38.32 39.32 1x02 h ASN 53 CO 0.14 -0.26 -0.43 -0.62 -1.65 0.00 0.00 177.43 174.62 1x02 n GLU 54 N -5.41 -0.29 0.07 0.81 -0.58 -1.04 -0.58 120.64 113.60 1x02 n GLU 54 Ca 0.19 1.32 -0.14 0.00 -0.42 0.00 0.00 57.16 58.10 1x02 n GLU 54 Cb 0.62 -1.95 -0.14 0.00 -0.57 0.00 0.00 31.44 29.40 1x02 n GLU 54 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1x02 h VAL 55 N 0.00 1.31 0.00 2.62 2.07 -1.19 -3.46 116.25 117.61 1x02 h VAL 55 Ca 0.22 -2.97 -0.37 0.00 0.82 0.00 0.00 66.70 64.40 1x02 h VAL 55 Cb 0.43 2.79 -0.05 0.00 -1.52 0.00 0.00 31.29 32.94 1x02 h VAL 55 CO -0.83 0.84 1.12 -0.67 0.02 0.00 0.00 177.57 178.04 1x02 n ASP 56 N -3.42 0.25 -0.03 0.57 2.03 0.87 -4.79 116.55 112.04 1x02 n ASP 56 Ca -0.12 0.18 -0.02 0.00 0.52 0.00 0.00 54.79 55.36 1x02 n ASP 56 Cb 1.02 -0.61 -0.01 0.00 -0.72 0.00 0.00 41.12 40.80 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 7.63 0.00 -0.97 -1.67 0.00 -1.87 -3.39 119.26 118.99 1x02 h ALA 57 Ca -0.04 -0.34 0.24 0.00 0.00 0.00 0.00 54.91 54.77 1x02 h ALA 57 Cb 0.89 0.19 -0.12 0.00 0.00 0.00 0.00 17.79 18.75 1x02 h ALA 57 CO 0.89 0.19 0.54 0.38 0.00 0.00 0.00 179.25 181.25 1x02 h ASP 58 N -0.39 0.58 0.00 0.00 3.04 -1.92 -3.46 116.42 114.27 1x02 h ASP 58 Ca 0.00 0.14 0.00 0.00 -3.24 0.00 0.00 57.03 53.93 1x02 h ASP 58 Cb 0.19 0.06 0.00 0.00 -1.04 0.00 0.00 39.33 38.54 1x02 h ASP 58 CO 0.00 0.08 0.00 0.61 -2.04 0.00 0.00 179.24 177.89 1x02 n GLY 59 N -1.32 0.62 2.27 7.15 0.00 -1.26 -5.05 105.19 107.60 1x02 n GLY 59 Ca 0.25 -0.17 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 2.61 -3.26 1.61 0.23 -1.26 -4.97 115.26 110.22 1x02 n ASN 60 Ca 0.00 -2.72 -0.24 0.00 -0.53 0.00 0.00 54.58 51.10 1x02 n ASN 60 Cb 0.00 -0.42 -0.04 0.00 -2.08 0.00 0.00 39.78 37.24 1x02 n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1x02 n GLY 61 N -0.55 -0.30 3.48 4.83 0.00 -1.26 -4.83 105.19 106.56 1x02 n GLY 61 Ca 0.20 0.04 -0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.32 -0.00 0.33 2.61 -4.23 -1.26 -4.64 115.64 106.12 1x02 s THR 62 Ca 0.46 0.02 -0.22 0.00 -1.18 0.00 0.00 61.69 60.77 1x02 s THR 62 Cb -0.27 -0.81 -0.10 0.00 1.34 0.00 0.00 72.50 72.66 1x02 s THR 62 CO 0.56 0.01 0.86 -0.63 -0.54 0.00 0.00 174.62 174.88 1x02 s ILE 63 N 0.80 4.41 0.23 2.99 1.01 -1.19 -4.78 121.20 124.68 1x02 s ILE 63 Ca -0.04 1.48 0.00 0.00 0.00 0.00 0.00 60.65 62.09 1x02 s ILE 63 Cb -0.05 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.62 1x02 s ILE 63 CO -0.06 -0.02 0.04 0.47 0.00 0.00 0.00 174.94 175.37 1x02 n ASP 64 N 0.13 2.47 -0.00 3.58 8.00 -1.26 -0.01 116.55 129.46 1x02 n ASP 64 Ca 0.03 -1.98 -0.12 0.00 0.71 0.00 0.00 54.79 53.43 1x02 n ASP 64 Cb 0.52 0.13 -0.07 0.00 -0.02 0.00 0.00 41.12 41.68 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 1.01 0.09 -0.14 1.24 3.04 -1.98 0.10 116.94 120.30 1x02 h PHE 65 Ca -0.18 -0.01 -0.06 0.00 3.98 0.00 0.00 57.97 61.70 1x02 h PHE 65 Cb 0.58 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 39.06 1x02 h PHE 65 CO 0.00 0.21 -0.14 -1.00 -2.02 0.00 0.00 178.31 175.36 1x02 h PRO 66 N -0.05 0.34 -0.32 6.41 0.13 -1.97 -3.21 132.00 133.33 1x02 h PRO 66 Ca 0.02 -0.18 -0.02 0.00 -0.87 0.00 0.00 66.00 64.96 1x02 h PRO 66 Cb 0.16 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.28 1x02 h PRO 66 CO -0.00 0.73 0.14 0.93 -0.23 0.00 0.00 178.00 179.57 1x02 h GLU 67 N -0.03 0.48 -0.90 0.86 5.08 -1.93 -2.82 114.58 115.32 1x02 h GLU 67 Ca 0.02 -0.08 0.23 0.00 -1.00 0.00 0.00 59.36 58.54 1x02 h GLU 67 Cb 0.66 -0.08 -0.13 0.00 0.50 0.00 0.00 28.75 29.70 1x02 h GLU 67 CO 0.03 0.46 0.36 0.35 -1.00 0.00 0.00 179.01 179.21 1x02 h PHE 68 N 0.38 0.58 -0.88 4.33 3.57 -0.84 0.57 116.94 124.66 1x02 h PHE 68 Ca 0.11 0.04 0.22 0.00 3.53 0.00 0.00 57.97 61.88 1x02 h PHE 68 Cb 0.15 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 38.72 1x02 h PHE 68 CO -0.01 -0.11 0.60 -0.07 -2.23 0.00 0.00 178.31 176.49 1x02 h LEU 69 N 0.33 0.23 -0.19 0.59 3.38 -1.49 -0.37 115.31 117.79 1x02 h LEU 69 Ca 0.57 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.55 1x02 h LEU 69 Cb 1.13 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1x02 h LEU 69 CO -0.57 0.09 0.06 0.74 0.09 0.00 0.00 178.44 178.84 1x02 h THR 70 N 0.22 1.19 0.17 0.22 2.02 0.06 -3.04 112.91 113.75 1x02 h THR 70 Ca 0.44 -0.58 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 1x02 h THR 70 Cb 1.38 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 69.00 1x02 h THR 70 CO -0.10 0.18 -0.12 -0.03 0.37 0.00 0.00 175.52 175.82 1x02 h MET 71 N 0.13 -0.28 -1.20 6.66 1.85 -1.08 -2.22 114.93 118.80 1x02 h MET 71 Ca 0.06 0.02 0.36 0.00 -0.61 0.00 0.00 59.70 59.53 1x02 h MET 71 Cb 0.23 0.06 -0.11 0.00 0.43 0.00 0.00 31.60 32.21 1x02 h MET 71 CO -0.00 -0.19 0.77 0.52 -0.40 0.00 0.00 176.91 177.61 1x02 h MET 72 N -0.29 0.20 0.20 0.39 2.07 -1.42 1.45 114.93 117.53 1x02 h MET 72 Ca -0.01 -0.01 -0.01 0.00 -2.07 0.00 0.00 59.70 57.60 1x02 h MET 72 Cb 0.25 -0.05 0.00 0.00 -1.87 0.00 0.00 31.60 29.94 1x02 h MET 72 CO 0.01 0.13 -0.10 0.00 1.07 0.00 0.00 176.91 178.02 1x02 h ALA 73 N 1.61 -0.27 0.00 6.32 0.00 -1.28 -0.42 119.26 125.22 1x02 h ALA 73 Ca 0.73 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.49 1x02 h ALA 73 Cb 2.13 0.11 0.00 0.00 0.00 0.00 0.00 17.79 20.02 1x02 h ALA 73 CO -0.37 -0.54 -0.03 0.54 0.00 0.00 0.00 179.25 178.84 1x02 n ARG 74 N -5.11 0.09 0.02 0.00 1.74 0.48 -3.04 116.66 110.84 1x02 n ARG 74 Ca -0.09 0.07 0.12 0.00 -0.77 0.00 0.00 57.85 57.17 1x02 n ARG 74 Cb 0.20 -1.60 0.13 0.00 -1.02 0.00 0.00 32.46 30.18 1x02 n ARG 74 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1x02 n LYS 75 N -1.75 0.17 -0.01 5.56 3.00 0.47 -3.32 118.16 122.29 1x02 n LYS 75 Ca 0.06 0.02 -0.15 0.00 -0.00 0.00 0.00 58.31 58.24 1x02 n LYS 75 Cb 0.37 -1.58 -0.04 0.00 0.00 0.00 0.00 35.03 33.78 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 0.70 0.17 1.64 2.86 -0.99 -3.26 114.93 116.05 1x02 h MET 76 Ca 0.00 -0.56 -0.32 0.00 -2.06 0.00 0.00 59.70 56.75 1x02 h MET 76 Cb 0.64 0.11 0.01 0.00 0.06 0.00 0.00 31.60 32.42 1x02 h MET 76 CO 0.00 1.18 -1.55 1.57 1.06 0.00 0.00 176.91 179.17 1x02 h LYS 77 N 0.48 0.35 -0.98 1.72 5.09 -1.72 -2.69 116.57 118.82 1x02 h LYS 77 Ca -0.04 -0.60 0.28 0.00 0.09 0.00 0.00 60.65 60.38 1x02 h LYS 77 Cb 1.37 0.22 -0.14 0.00 0.10 0.00 0.00 32.23 33.78 1x02 h LYS 77 CO 0.15 1.25 0.52 -0.44 -2.09 0.00 0.00 179.45 178.84 1x02 h ASP 78 N 0.10 0.48 0.30 7.07 3.32 -1.63 -0.37 116.42 125.69 1x02 h ASP 78 Ca -0.26 0.17 -0.33 0.00 0.02 0.00 0.00 57.03 56.63 1x02 h ASP 78 Cb 2.07 0.12 -0.03 0.00 0.22 0.00 0.00 39.33 41.71 1x02 h ASP 78 CO 0.19 -0.06 -1.84 0.00 -1.72 0.00 0.00 179.24 175.81 1x02 h THR 79 N 0.39 0.76 -0.97 0.35 1.03 -1.67 -3.36 112.91 109.42 1x02 h THR 79 Ca 0.67 -2.52 0.28 0.00 -0.01 0.00 0.00 66.41 64.83 1x02 h THR 79 Cb 1.43 2.49 -0.14 0.00 -1.07 0.00 0.00 68.15 70.86 1x02 h THR 79 CO -0.57 0.73 0.51 -0.78 -0.01 0.00 0.00 175.52 175.40 1x02 h ASP 80 N 0.04 0.46 -0.82 0.00 1.82 -0.73 -0.11 116.42 117.09 1x02 h ASP 80 Ca -0.35 0.18 0.28 0.00 -0.39 0.00 0.00 57.03 56.74 1x02 h ASP 80 Cb 2.03 0.13 -0.15 0.00 0.68 0.00 0.00 39.33 42.02 1x02 h ASP 80 CO 0.09 -0.07 0.20 -1.20 -1.61 0.00 0.00 179.24 176.65 1x02 n SER 81 N -5.04 0.07 -0.33 2.28 7.64 -0.84 -0.51 113.62 116.89 1x02 n SER 81 Ca 0.28 1.38 -0.09 0.00 1.01 0.00 0.00 58.87 61.45 1x02 n SER 81 Cb 0.85 -0.57 -0.08 0.00 -1.01 0.00 0.00 64.21 63.40 1x02 n SER 81 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1x02 n GLU 82 N -5.03 -0.34 0.10 1.43 2.13 -0.05 -0.43 120.64 118.44 1x02 n GLU 82 Ca 0.24 1.24 -0.12 0.00 0.66 0.00 0.00 57.16 59.18 1x02 n GLU 82 Cb 0.81 -1.82 -0.05 0.00 0.27 0.00 0.00 31.44 30.64 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 -0.46 -1.03 5.31 4.39 -1.02 -1.45 114.58 120.32 1x02 h GLU 83 Ca 0.12 0.03 0.36 0.00 0.34 0.00 0.00 59.36 60.21 1x02 h GLU 83 Cb 0.32 0.10 -0.10 0.00 -0.10 0.00 0.00 28.75 28.97 1x02 h GLU 83 CO -0.73 -0.31 0.66 0.39 -1.16 0.00 0.00 179.01 177.86 1x02 n GLU 84 N -5.39 -0.03 0.04 2.33 -0.58 0.43 0.20 120.64 117.64 1x02 n GLU 84 Ca -0.06 0.94 -0.22 0.00 -0.42 0.00 0.00 57.16 57.40 1x02 n GLU 84 Cb 0.31 -1.85 -0.14 0.00 -0.57 0.00 0.00 31.44 29.18 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 0.92 -0.93 -3.67 2.04 -0.92 -3.37 117.51 111.58 1x02 h ILE 85 Ca 0.66 -2.44 0.17 0.00 1.00 0.00 0.00 64.86 64.24 1x02 h ILE 85 Cb 2.12 2.70 -0.16 0.00 -0.74 0.00 0.00 36.82 40.73 1x02 h ILE 85 CO -0.35 0.81 -0.31 0.03 0.00 0.00 0.00 178.15 178.32 1x02 h ARG 86 N -0.05 -0.02 -0.75 2.37 2.47 0.31 0.29 114.38 119.00 1x02 h ARG 86 Ca -0.34 0.00 0.23 0.00 -1.26 0.00 0.00 59.98 58.61 1x02 h ARG 86 Cb 1.97 0.00 -0.14 0.00 -1.65 0.00 0.00 29.97 30.15 1x02 h ARG 86 CO 0.12 -0.01 0.11 0.39 0.56 0.00 0.00 179.97 181.14 1x02 n GLU 87 N -5.53 -0.06 -0.07 0.04 -0.58 -0.98 0.20 120.64 113.66 1x02 n GLU 87 Ca 0.12 1.11 -0.14 0.00 -0.42 0.00 0.00 57.16 57.83 1x02 n GLU 87 Cb 0.43 -1.81 -0.06 0.00 -0.57 0.00 0.00 31.44 29.43 1x02 n GLU 87 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x02 h ALA 88 N 1.51 0.34 -0.64 0.62 0.00 -0.67 -2.74 119.26 117.67 1x02 h ALA 88 Ca 0.50 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1x02 h ALA 88 Cb 1.12 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1x02 h ALA 88 CO -0.68 0.39 0.35 0.35 0.00 0.00 0.00 179.25 179.67 1x02 h PHE 89 N 0.32 0.86 -0.08 0.00 3.57 0.25 -2.67 116.94 119.20 1x02 h PHE 89 Ca 0.02 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1x02 h PHE 89 Cb 0.93 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 1x02 h PHE 89 CO 0.08 0.60 0.01 0.00 -2.23 0.00 0.00 178.31 176.77 1x02 h ARG 90 N 0.89 0.14 -0.60 1.11 3.08 -0.43 -0.98 114.38 117.59 1x02 h ARG 90 Ca 0.23 -0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.35 1x02 h ARG 90 Cb 0.02 -0.01 -0.09 0.00 0.08 0.00 0.00 29.97 29.97 1x02 h ARG 90 CO -0.04 0.38 0.14 0.28 -1.07 0.00 0.00 179.97 179.65 1x02 h VAL 91 N -0.12 0.65 0.31 2.04 2.07 -1.21 -2.64 116.25 117.34 1x02 h VAL 91 Ca 0.02 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 1x02 h VAL 91 Cb 0.31 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1x02 h VAL 91 CO 0.00 0.05 -0.15 -0.26 0.02 0.00 0.00 177.57 177.23 1x02 h PHE 92 N 0.27 -0.38 -2.01 1.57 0.04 -1.41 -3.42 116.94 111.59 1x02 h PHE 92 Ca 0.32 -0.01 -0.58 0.00 2.80 0.00 0.00 57.97 60.49 1x02 h PHE 92 Cb 0.47 0.13 0.01 0.00 2.20 0.00 0.00 35.95 38.75 1x02 h PHE 92 CO -0.24 -0.06 1.35 -3.47 -0.60 0.00 0.00 178.31 175.30 1x02 n ASP 93 N -5.13 3.45 -0.05 2.17 -0.08 -0.38 -4.45 116.55 112.08 1x02 n ASP 93 Ca -0.10 0.54 -0.03 0.00 -1.51 0.00 0.00 54.79 53.70 1x02 n ASP 93 Cb 0.26 -1.49 -0.01 0.00 2.34 0.00 0.00 41.12 42.22 1x02 n ASP 93 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1x02 h LYS 94 N 12.64 0.00 -0.92 -0.67 1.57 -1.82 -3.39 116.57 123.97 1x02 h LYS 94 Ca -0.43 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.42 1x02 h LYS 94 Cb 1.25 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.50 1x02 h LYS 94 CO 0.96 0.00 0.58 0.38 -0.57 0.00 0.00 179.45 180.79 1x02 h ASP 95 N -0.76 0.90 -0.80 0.86 2.03 -1.93 -3.47 116.42 113.26 1x02 h ASP 95 Ca 0.00 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 1x02 h ASP 95 Cb 0.33 -0.17 0.00 0.00 -0.83 0.00 0.00 39.33 38.66 1x02 h ASP 95 CO 0.00 0.56 0.00 0.61 -1.03 0.00 0.00 179.24 179.38 1x02 n GLY 96 N -1.34 0.86 0.17 7.15 0.00 -1.26 -5.02 105.19 105.75 1x02 n GLY 96 Ca 0.14 -0.41 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 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 0.61 2.06 0.00 1.61 6.94 -1.26 -5.05 115.26 120.16 1x02 n ASN 97 Ca 0.00 0.03 0.00 0.00 -0.02 0.00 0.00 54.58 54.59 1x02 n ASN 97 Cb 0.33 -0.47 0.00 0.00 -2.36 0.00 0.00 39.78 37.27 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 2.11 2.13 3.86 4.83 0.00 -1.26 -5.13 105.19 111.72 1x02 n GLY 98 Ca -0.42 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 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 3.60 -0.37 1.61 1.51 -1.26 -3.61 117.35 118.83 1x02 s TYR 99 Ca 0.00 0.88 -0.07 0.00 -1.01 0.00 0.00 57.07 56.87 1x02 s TYR 99 Cb 0.00 -2.22 0.06 0.00 -0.11 0.00 0.00 41.96 39.69 1x02 s TYR 99 CO 0.00 0.50 0.16 0.42 -1.11 0.00 0.00 175.55 175.53 1x02 s ILE 100 N -1.40 3.83 0.86 2.71 1.01 -1.08 -4.86 121.20 122.26 1x02 s ILE 100 Ca 0.34 -1.35 -0.11 0.00 0.00 0.00 0.00 60.65 59.52 1x02 s ILE 100 Cb -0.14 -3.29 0.11 0.00 0.01 0.00 0.00 42.46 39.15 1x02 s ILE 100 CO 0.18 -0.35 1.09 -0.94 0.00 0.00 0.00 174.94 174.92 1x02 s SER 101 N 1.69 3.80 0.15 3.58 1.04 -1.26 0.01 113.70 122.70 1x02 s SER 101 Ca 0.01 1.59 -0.18 0.00 0.48 0.00 0.00 55.95 57.86 1x02 s SER 101 Cb -0.21 -2.28 0.04 0.00 0.10 0.00 0.00 66.02 63.67 1x02 s SER 101 CO 0.01 -2.45 1.72 0.00 0.98 0.00 0.00 173.24 173.51 1x02 h ALA 102 N -1.42 0.29 -0.35 5.32 0.00 -1.93 -2.45 119.26 118.73 1x02 h ALA 102 Ca -0.48 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.53 1x02 h ALA 102 Cb 1.27 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 1x02 h ALA 102 CO 0.54 -0.38 0.19 0.00 0.00 0.00 0.00 179.25 179.59 1x02 h ALA 103 N 1.25 0.43 -0.42 0.00 0.00 -1.92 0.29 119.26 118.89 1x02 h ALA 103 Ca 0.15 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1x02 h ALA 103 Cb 0.18 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.80 1x02 h ALA 103 CO -0.22 -0.17 -0.45 0.93 0.00 0.00 0.00 179.25 179.34 1x02 h GLU 104 N 0.39 -0.32 -0.31 0.00 5.08 -1.79 -0.05 114.58 117.57 1x02 h GLU 104 Ca 0.14 0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.40 1x02 h GLU 104 Cb 0.03 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1x02 h GLU 104 CO -0.08 -0.21 -0.27 1.25 -1.00 0.00 0.00 179.01 178.69 1x02 h LEU 105 N -0.33 0.79 -0.62 1.33 6.46 -1.33 -3.14 115.31 118.47 1x02 h LEU 105 Ca 0.13 -0.46 0.12 0.00 -0.12 0.00 0.00 57.88 57.56 1x02 h LEU 105 Cb 0.58 -0.22 -0.12 0.00 -0.73 0.00 0.00 40.66 40.17 1x02 h LEU 105 CO -0.59 1.08 -0.23 -0.09 -0.62 0.00 0.00 178.44 177.99 1x02 h ARG 106 N 0.50 -0.07 -0.15 1.25 2.43 0.45 -0.29 114.38 118.52 1x02 h ARG 106 Ca 0.05 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1x02 h ARG 106 Cb 0.84 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 1x02 h ARG 106 CO 0.07 -0.05 -0.01 1.25 -1.51 0.00 0.00 179.97 179.72 1x02 h HIS 107 N -0.07 -0.03 -0.39 2.20 2.76 -1.05 -2.34 115.15 116.23 1x02 h HIS 107 Ca 0.28 0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.54 1x02 h HIS 107 Cb 0.51 0.03 -0.08 0.00 1.55 0.00 0.00 27.41 29.43 1x02 h HIS 107 CO -0.57 -0.03 -0.14 0.28 -1.30 0.00 0.00 177.93 176.17 1x02 h VAL 108 N 0.03 0.52 0.15 5.26 2.07 -1.07 -2.26 116.25 120.96 1x02 h VAL 108 Ca 0.07 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.61 1x02 h VAL 108 Cb 0.09 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 1x02 h VAL 108 CO -0.13 0.00 -0.40 0.24 0.02 0.00 0.00 177.57 177.30 1x02 h MET 109 N -0.06 -0.63 -0.71 1.57 2.07 -0.85 -2.67 114.93 113.64 1x02 h MET 109 Ca 0.19 0.04 0.11 0.00 -2.07 0.00 0.00 59.70 57.98 1x02 h MET 109 Cb 0.35 0.14 -0.12 0.00 -1.87 0.00 0.00 31.60 30.10 1x02 h MET 109 CO -0.43 -0.42 -0.38 1.15 1.07 0.00 0.00 176.91 177.89 1x02 h THR 110 N -0.66 0.10 -0.99 2.22 2.02 -0.95 0.17 112.91 114.82 1x02 h THR 110 Ca 0.02 0.00 0.30 0.00 0.77 0.00 0.00 66.41 67.50 1x02 h THR 110 Cb 0.67 0.10 -0.18 0.00 -1.74 0.00 0.00 68.15 67.00 1x02 h THR 110 CO -0.21 0.00 0.12 0.59 0.37 0.00 0.00 175.52 176.39 1x02 n ASN 111 N -5.43 -0.02 -0.30 4.18 4.13 -0.90 0.43 115.26 117.35 1x02 n ASN 111 Ca 0.05 1.67 0.23 0.00 1.68 0.00 0.00 54.58 58.21 1x02 n ASN 111 Cb 0.36 -0.65 0.42 0.00 -1.54 0.00 0.00 39.78 38.38 1x02 n ASN 111 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1x02 n LEU 112 N -5.43 0.14 0.00 3.41 4.77 0.61 -4.75 117.00 115.75 1x02 n LEU 112 Ca 0.26 1.53 0.00 0.00 -0.03 0.00 0.00 56.01 57.77 1x02 n LEU 112 Cb 0.86 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1x02 n LEU 112 CO -0.06 -1.64 0.00 0.61 -1.33 0.00 0.00 177.39 174.97 1x02 n GLY 113 N -1.33 3.10 3.87 -0.72 0.00 0.17 -5.14 105.19 105.14 1x02 n GLY 113 Ca 0.29 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 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 1.49 -0.35 1.61 0.41 -1.23 -5.05 118.70 115.59 1x02 s GLU 114 Ca 0.00 0.05 0.03 0.00 -0.41 0.00 0.00 54.97 54.64 1x02 s GLU 114 Cb 0.00 -1.90 0.10 0.00 -1.78 0.00 0.00 34.13 30.55 1x02 s GLU 114 CO 0.00 -1.91 0.07 0.15 -0.49 0.00 0.00 175.26 173.08 1x02 s LYS 115 N -5.57 1.59 0.66 1.61 1.02 -1.26 -4.32 119.74 113.48 1x02 s LYS 115 Ca 0.65 -1.85 0.02 0.00 0.02 0.00 0.00 55.97 54.80 1x02 s LYS 115 Cb -0.11 -3.26 0.10 0.00 -0.52 0.00 0.00 37.83 34.04 1x02 s LYS 115 CO 0.51 -0.95 0.91 -0.51 -0.92 0.00 0.00 175.35 174.39 1x02 s LEU 116 N 0.95 3.06 0.14 3.17 1.43 -1.26 -5.09 118.68 121.08 1x02 s LEU 116 Ca 0.10 -0.41 -0.07 0.00 -1.03 0.00 0.00 54.13 52.72 1x02 s LEU 116 Cb -0.20 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 43.96 1x02 s LEU 116 CO -0.07 -1.63 0.21 0.42 0.23 0.00 0.00 176.35 175.51 1x02 s THR 117 N -2.97 0.09 0.30 5.49 -4.23 -1.26 -4.99 115.64 108.06 1x02 s THR 117 Ca 0.64 -1.48 0.12 0.00 -1.18 0.00 0.00 61.69 59.79 1x02 s THR 117 Cb -0.06 -1.79 0.32 0.00 1.34 0.00 0.00 72.50 72.31 1x02 s THR 117 CO 0.42 -0.42 1.34 -0.67 -0.54 0.00 0.00 174.62 174.76 1x02 n ASP 118 N -0.15 0.15 0.14 3.99 -0.08 -1.26 0.95 116.55 120.29 1x02 n ASP 118 Ca -0.08 1.43 -0.14 0.00 -1.51 0.00 0.00 54.79 54.49 1x02 n ASP 118 Cb 0.63 -0.63 -0.08 0.00 2.34 0.00 0.00 41.12 43.38 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 -0.29 -0.24 -0.67 4.39 -1.98 0.34 114.58 116.13 1x02 h GLU 119 Ca 0.65 0.02 0.06 0.00 0.34 0.00 0.00 59.36 60.43 1x02 h GLU 119 Cb 1.60 0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 30.25 1x02 h GLU 119 CO -0.71 -0.15 -0.19 0.93 -1.16 0.00 0.00 179.01 177.72 1x02 h GLU 120 N -0.34 -0.18 -0.53 2.33 4.39 0.20 -2.08 114.58 118.36 1x02 h GLU 120 Ca -0.03 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 1x02 h GLU 120 Cb 0.26 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 1x02 h GLU 120 CO 0.05 -0.12 0.13 0.28 -1.16 0.00 0.00 179.01 178.19 1x02 h VAL 121 N -0.19 1.24 -0.93 3.13 2.07 -1.26 -2.96 116.25 117.36 1x02 h VAL 121 Ca 0.14 -0.86 0.27 0.00 0.82 0.00 0.00 66.70 67.07 1x02 h VAL 121 Cb 0.39 0.79 -0.16 0.00 -1.52 0.00 0.00 31.29 30.80 1x02 h VAL 121 CO -0.35 0.31 0.22 0.44 0.02 0.00 0.00 177.57 178.21 1x02 h ASP 122 N 0.74 -0.09 -0.77 0.57 3.32 0.38 0.97 116.42 121.53 1x02 h ASP 122 Ca 0.17 0.23 0.01 0.00 0.02 0.00 0.00 57.03 57.46 1x02 h ASP 122 Cb 0.33 0.33 -0.04 0.00 0.22 0.00 0.00 39.33 40.18 1x02 h ASP 122 CO 0.00 -0.25 0.51 -0.33 -1.72 0.00 0.00 179.24 177.45 1x02 h GLU 123 N 0.12 1.00 0.11 3.56 5.08 -1.31 -2.05 114.58 121.09 1x02 h GLU 123 Ca 0.61 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.90 1x02 h GLU 123 Cb 1.31 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1x02 h GLU 123 CO -0.75 0.66 -0.05 1.98 -1.00 0.00 0.00 179.01 179.85 1x02 h MET 124 N 1.03 -0.14 -0.99 2.33 4.05 0.81 -3.19 114.93 118.83 1x02 h MET 124 Ca 0.28 0.01 0.23 0.00 -0.28 0.00 0.00 59.70 59.95 1x02 h MET 124 Cb -0.10 0.03 -0.09 0.00 -0.80 0.00 0.00 31.60 30.64 1x02 h MET 124 CO -0.06 0.33 0.64 0.82 0.23 0.00 0.00 176.91 178.86 1x02 h ILE 125 N -0.70 0.60 -0.02 1.77 1.08 -0.87 0.81 117.51 120.18 1x02 h ILE 125 Ca -0.02 -0.15 0.00 0.00 -0.39 0.00 0.00 64.86 64.30 1x02 h ILE 125 Cb 0.53 0.12 0.00 0.00 -3.07 0.00 0.00 36.82 34.40 1x02 h ILE 125 CO 0.02 0.08 0.00 -2.11 -0.69 0.00 0.00 178.15 175.46 1x02 n ARG 126 N -4.60 1.12 -0.00 2.37 1.85 -0.79 -0.72 116.66 115.89 1x02 n ARG 126 Ca 0.23 -0.10 -0.00 0.00 -1.00 0.00 0.00 57.85 56.97 1x02 n ARG 126 Cb 0.78 -1.42 -0.00 0.00 -1.05 0.00 0.00 32.46 30.76 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 -0.07 1.19 -0.07 2.89 2.13 0.28 -4.83 120.64 122.17 1x02 n GLU 127 Ca 0.01 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.76 1x02 n GLU 127 Cb 0.23 -1.02 -0.09 0.00 0.27 0.00 0.00 31.44 30.83 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 -2.37 1.68 -1.55 4.31 0.00 -1.09 -4.88 120.51 116.62 1x02 n ALA 128 Ca -0.01 -0.79 -0.41 0.00 0.00 0.00 0.00 53.44 52.22 1x02 n ALA 128 Cb 0.52 0.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 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 -2.58 2.48 -0.08 0.00 2.03 0.10 -4.64 116.55 113.86 1x02 n ASP 129 Ca -0.22 -0.07 -0.14 0.00 0.52 0.00 0.00 54.79 54.87 1x02 n ASP 129 Cb 0.88 -1.48 -0.08 0.00 -0.72 0.00 0.00 41.12 39.72 1x02 n ASP 129 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1x02 h ILE 130 N 7.44 0.76 -0.40 5.18 1.08 -1.86 -3.38 117.51 126.33 1x02 h ILE 130 Ca -0.29 -1.81 0.05 0.00 -0.39 0.00 0.00 64.86 62.42 1x02 h ILE 130 Cb 1.27 1.68 -0.04 0.00 -3.07 0.00 0.00 36.82 36.66 1x02 h ILE 130 CO 1.08 0.26 0.14 0.44 -0.69 0.00 0.00 178.15 179.38 1x02 h ASP 131 N -1.00 0.14 -0.08 1.72 3.32 -1.91 -3.47 116.42 115.14 1x02 h ASP 131 Ca -0.17 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1x02 h ASP 131 Cb 0.93 0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.51 1x02 h ASP 131 CO -0.10 0.12 0.00 0.61 -1.72 0.00 0.00 179.24 178.14 1x02 n GLY 132 N -1.23 0.83 0.28 2.75 0.00 -1.26 -5.02 105.19 101.53 1x02 n GLY 132 Ca 0.02 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.09 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 0.04 1.98 -2.01 1.61 5.68 -1.26 -4.96 116.55 117.62 1x02 n ASP 133 Ca 0.00 -3.20 -0.17 0.00 -0.50 0.00 0.00 54.79 50.92 1x02 n ASP 133 Cb 0.03 -0.44 -0.00 0.00 -1.14 0.00 0.00 41.12 39.57 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 -1.20 -0.34 3.21 6.12 0.00 -1.26 -5.00 105.19 106.73 1x02 n GLY 134 Ca 0.15 -0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.92 0.96 -0.43 1.61 -0.21 -1.26 -3.00 119.66 112.41 1x02 s GLN 135 Ca 0.03 -1.40 0.02 0.00 0.02 0.00 0.00 55.36 54.03 1x02 s GLN 135 Cb -0.01 -0.44 0.15 0.00 1.00 0.00 0.00 33.01 33.71 1x02 s GLN 135 CO 0.03 0.03 0.28 0.08 -2.12 0.00 0.00 175.29 173.59 1x02 s VAL 136 N -3.46 0.83 1.16 1.09 1.01 0.10 -4.38 120.40 116.75 1x02 s VAL 136 Ca 0.15 -2.45 -0.19 0.00 0.00 0.00 0.00 61.98 59.48 1x02 s VAL 136 Cb 0.04 -1.58 0.28 0.00 0.00 0.00 0.00 36.38 35.11 1x02 s VAL 136 CO -0.02 -1.03 1.18 0.54 0.00 0.00 0.00 175.10 175.77 1x02 s ASN 137 N 0.36 1.31 0.16 3.32 4.22 -1.26 -2.65 114.94 120.40 1x02 s ASN 137 Ca 0.22 0.45 -0.21 0.00 -2.14 0.00 0.00 52.86 51.18 1x02 s ASN 137 Cb -0.15 -0.58 0.07 0.00 1.28 0.00 0.00 41.25 41.87 1x02 s ASN 137 CO -0.06 -3.87 1.62 0.22 -2.04 0.00 0.00 177.10 172.97 1x02 h TYR 138 N -2.41 -0.66 0.37 1.54 3.20 -1.98 0.34 116.97 117.37 1x02 h TYR 138 Ca -0.44 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.47 1x02 h TYR 138 Cb 1.27 0.34 -0.02 0.00 1.54 0.00 0.00 36.73 39.86 1x02 h TYR 138 CO -2.18 -0.32 -0.45 1.49 -1.64 0.00 0.00 178.16 175.06 1x02 h GLU 139 N -0.21 -0.80 -0.62 1.82 4.81 -1.93 0.59 114.58 118.24 1x02 h GLU 139 Ca 0.17 0.05 0.17 0.00 -0.13 0.00 0.00 59.36 59.62 1x02 h GLU 139 Cb 0.47 0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 1x02 h GLU 139 CO -0.46 -0.54 0.44 0.93 -0.73 0.00 0.00 179.01 178.65 1x02 h GLU 140 N -0.83 0.05 0.04 1.92 5.08 -1.74 0.70 114.58 119.80 1x02 h GLU 140 Ca -0.05 -0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.07 1x02 h GLU 140 Cb 0.74 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.99 1x02 h GLU 140 CO -0.10 0.04 -1.04 0.35 -1.00 0.00 0.00 179.01 177.26 1x02 h PHE 141 N 0.06 0.67 -0.03 4.33 3.57 0.71 -3.24 116.94 123.00 1x02 h PHE 141 Ca 0.29 -0.39 -0.00 0.00 3.53 0.00 0.00 57.97 61.40 1x02 h PHE 141 Cb 1.09 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.77 1x02 h PHE 141 CO -0.00 1.23 0.00 0.28 -2.23 0.00 0.00 178.31 177.60 1x02 h VAL 142 N 0.22 1.22 -0.55 1.41 2.07 0.24 -2.99 116.25 117.87 1x02 h VAL 142 Ca -0.11 -0.65 0.11 0.00 0.82 0.00 0.00 66.70 66.87 1x02 h VAL 142 Cb 1.70 1.60 -0.11 0.00 -1.52 0.00 0.00 31.29 32.96 1x02 h VAL 142 CO 0.18 0.18 -0.15 1.56 0.02 0.00 0.00 177.57 179.36 1x02 h GLN 143 N -0.20 -0.01 -0.08 1.57 1.08 -1.38 -1.50 115.11 114.58 1x02 h GLN 143 Ca 0.01 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.25 1x02 h GLN 143 Cb 0.28 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.66 1x02 h GLN 143 CO 0.00 -0.01 -0.30 1.98 -0.95 0.00 0.00 178.83 179.55 1x02 h MET 144 N -0.01 -0.39 -1.00 1.46 4.05 -1.57 -1.12 114.93 116.35 1x02 h MET 144 Ca 0.26 0.03 0.19 0.00 -0.28 0.00 0.00 59.70 59.90 1x02 h MET 144 Cb 0.41 0.09 -0.11 0.00 -0.80 0.00 0.00 31.60 31.20 1x02 h MET 144 CO -0.57 -0.26 0.61 0.52 0.23 0.00 0.00 176.91 177.44 1x02 h MET 145 N -0.40 0.76 -1.35 0.39 2.86 -1.16 0.33 114.93 116.36 1x02 h MET 145 Ca 0.08 -0.05 -0.51 0.00 -2.06 0.00 0.00 59.70 57.17 1x02 h MET 145 Cb 0.53 -0.17 -0.21 0.00 0.06 0.00 0.00 31.60 31.81 1x02 h MET 145 CO -0.31 0.50 0.65 0.25 1.06 0.00 0.00 176.91 179.06 1x02 n THR 146 N -4.76 3.22 -2.48 2.22 -2.24 -0.46 -4.31 114.28 105.47 1x02 n THR 146 Ca 0.23 -2.41 -0.10 0.00 -2.27 0.00 0.00 64.05 59.49 1x02 n THR 146 Cb 0.56 -1.27 0.04 0.00 -2.10 0.00 0.00 70.33 67.55 1x02 n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x02 n ALA 147 N -0.21 3.65 1.42 6.98 0.00 0.11 -4.96 120.51 127.49 1x02 n ALA 147 Ca 0.47 -3.20 0.14 0.00 0.00 0.00 0.00 53.44 50.84 1x02 n ALA 147 Cb 0.60 -0.64 0.46 0.00 0.00 0.00 0.00 19.45 19.87 1x02 n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13