#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 -0.54 0.00 3.32 -2.11 -1.78 116.42 115.31 1x02 h ASP 2 Ca 0.00 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.86 1x02 h ASP 2 Cb 0.00 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.44 1x02 h ASP 2 CO 0.00 0.17 0.24 0.00 -1.72 0.00 0.00 179.24 177.93 1x02 n GLN 3 N -4.05 2.66 -3.16 3.56 6.02 -1.26 -4.40 117.38 116.75 1x02 n GLN 3 Ca -0.02 -2.07 -0.22 0.00 -0.01 0.00 0.00 57.00 54.69 1x02 n GLN 3 Cb 0.25 -1.90 -0.04 0.00 1.02 0.00 0.00 30.24 29.57 1x02 n GLN 3 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1x02 n LEU 4 N -0.14 1.59 0.00 1.08 4.77 -0.67 -4.87 117.00 118.77 1x02 n LEU 4 Ca 0.30 -5.10 -0.06 0.00 -0.03 0.00 0.00 56.01 51.13 1x02 n LEU 4 Cb 1.11 0.36 0.03 0.00 -2.33 0.00 0.00 43.42 42.59 1x02 n LEU 4 CO 0.32 2.24 0.14 0.41 -1.33 0.00 0.00 177.39 179.17 1x02 n THR 5 N 0.47 0.00 -0.41 -5.08 -1.04 -1.26 -4.54 114.28 102.42 1x02 n THR 5 Ca 0.26 -0.33 0.32 0.00 -2.04 0.00 0.00 64.05 62.26 1x02 n THR 5 Cb 0.56 -1.40 0.51 0.00 -1.82 0.00 0.00 70.33 68.19 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 -1.47 -0.01 0.15 -2.82 -0.58 -1.26 0.13 120.64 114.78 1x02 n GLU 6 Ca 0.04 0.78 -0.14 0.00 -0.42 0.00 0.00 57.16 57.42 1x02 n GLU 6 Cb 0.13 -1.68 -0.06 0.00 -0.57 0.00 0.00 31.44 29.26 1x02 n GLU 6 CO 0.00 0.00 0.00 1.05 -0.48 0.00 0.00 177.13 177.70 1x02 h GLU 7 N 0.00 -0.50 0.20 3.49 9.09 -1.98 -1.27 114.58 123.62 1x02 h GLU 7 Ca 0.62 0.03 -0.01 0.00 0.05 0.00 0.00 59.36 60.05 1x02 h GLU 7 Cb 2.29 0.11 0.00 0.00 -1.65 0.00 0.00 28.75 29.50 1x02 h GLU 7 CO -0.14 -0.33 -0.10 1.96 0.05 0.00 0.00 179.01 180.45 1x02 h GLN 8 N -0.52 -0.26 -0.97 1.06 1.08 0.81 -3.16 115.11 113.15 1x02 h GLN 8 Ca 0.01 0.02 0.30 0.00 -1.45 0.00 0.00 58.65 57.53 1x02 h GLN 8 Cb 0.51 0.06 -0.17 0.00 -0.05 0.00 0.00 27.48 27.82 1x02 h GLN 8 CO -0.10 0.14 0.20 0.82 -0.95 0.00 0.00 178.83 178.94 1x02 h ILE 9 N -0.83 0.07 -0.67 2.54 5.03 -1.44 0.84 117.51 123.04 1x02 h ILE 9 Ca -0.03 -0.02 -0.00 0.00 -0.12 0.00 0.00 64.86 64.69 1x02 h ILE 9 Cb 0.52 0.02 -0.03 0.00 -3.03 0.00 0.00 36.82 34.29 1x02 h ILE 9 CO 0.05 0.01 0.40 0.00 -0.68 0.00 0.00 178.15 177.93 1x02 h ALA 10 N 1.95 0.86 0.13 1.87 0.00 -1.26 0.25 119.26 123.06 1x02 h ALA 10 Ca 0.66 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.48 1x02 h ALA 10 Cb 1.47 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1x02 h ALA 10 CO -0.83 0.34 -0.06 0.93 0.00 0.00 0.00 179.25 179.62 1x02 h GLU 11 N 0.92 -0.16 0.00 0.00 4.39 0.68 0.36 114.58 120.77 1x02 h GLU 11 Ca 0.24 0.01 -0.06 0.00 0.34 0.00 0.00 59.36 59.90 1x02 h GLU 11 Cb -0.02 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1x02 h GLU 11 CO -0.05 -0.04 -0.27 0.74 -1.16 0.00 0.00 179.01 178.23 1x02 h PHE 12 N -0.24 0.00 0.29 4.33 0.04 -1.08 -2.74 116.94 117.54 1x02 h PHE 12 Ca -0.02 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 1x02 h PHE 12 Cb 0.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.35 1x02 h PHE 12 CO -0.05 0.27 -0.14 -0.22 -0.60 0.00 0.00 178.31 177.57 1x02 h LYS 13 N 0.00 -0.38 -0.81 1.51 3.64 -0.10 -2.97 116.57 117.45 1x02 h LYS 13 Ca -0.00 0.03 0.15 0.00 -1.27 0.00 0.00 60.65 59.56 1x02 h LYS 13 Cb 0.58 0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 32.39 1x02 h LYS 13 CO 0.03 -0.07 0.37 0.93 -2.27 0.00 0.00 179.45 178.44 1x02 h GLU 14 N -0.98 0.50 0.00 1.90 4.39 -0.92 0.73 114.58 120.19 1x02 h GLU 14 Ca -0.04 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1x02 h GLU 14 Cb 0.48 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1x02 h GLU 14 CO 0.07 0.33 0.00 0.00 -1.16 0.00 0.00 179.01 178.24 1x02 h ALA 15 N 1.57 1.00 -0.01 3.43 0.00 -1.55 -1.36 119.26 122.34 1x02 h ALA 15 Ca 0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1x02 h ALA 15 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1x02 h ALA 15 CO -0.40 0.00 -0.39 0.34 0.00 0.00 0.00 179.25 178.80 1x02 n PHE 16 N -2.61 0.00 0.02 0.00 -0.00 0.21 -4.29 117.46 110.80 1x02 n PHE 16 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.42 1x02 n PHE 16 Cb 0.15 0.00 -0.10 0.00 -0.00 0.00 0.00 39.48 39.54 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 1.15 0.00 0.15 -2.13 0.02 0.78 -3.27 113.55 110.25 1x02 h SER 17 Ca 0.00 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.68 1x02 h SER 17 Cb 0.44 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.01 1x02 h SER 17 CO 0.00 0.71 -1.15 0.17 -1.14 0.00 0.00 176.83 175.42 1x02 h LEU 18 N 0.00 0.75 -0.32 5.07 -0.00 -1.69 -3.33 115.31 115.79 1x02 h LEU 18 Ca -0.19 -0.87 -0.01 0.00 -0.00 0.00 0.00 57.88 56.81 1x02 h LEU 18 Cb 1.71 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 42.11 1x02 h LEU 18 CO 0.06 1.56 0.16 -0.26 -0.00 0.00 0.00 178.44 179.96 1x02 h PHE 19 N 0.06 0.45 -1.26 0.17 0.04 -1.75 -3.37 116.94 111.28 1x02 h PHE 19 Ca -0.19 -0.02 -0.40 0.00 2.80 0.00 0.00 57.97 60.17 1x02 h PHE 19 Cb 1.87 -0.14 -0.05 0.00 2.20 0.00 0.00 35.95 39.83 1x02 h PHE 19 CO 0.14 0.38 1.02 0.34 -0.60 0.00 0.00 178.31 179.59 1x02 s ASP 20 N -5.64 5.32 0.10 2.17 2.15 -1.23 -4.60 116.67 114.92 1x02 s ASP 20 Ca -0.13 -0.35 -0.06 0.00 0.43 0.00 0.00 52.55 52.44 1x02 s ASP 20 Cb 0.09 -2.55 -0.20 0.00 -0.30 0.00 0.00 42.92 39.97 1x02 s ASP 20 CO 0.72 -2.50 1.21 0.11 -0.17 0.00 0.00 175.17 174.55 1x02 h LYS 21 N 12.46 0.37 -0.61 4.34 1.79 -1.84 -3.27 116.57 129.81 1x02 h LYS 21 Ca -0.04 -0.50 -0.08 0.00 -2.18 0.00 0.00 60.65 57.85 1x02 h LYS 21 Cb 1.06 0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.86 1x02 h LYS 21 CO 1.23 1.19 0.06 -0.44 -1.08 0.00 0.00 179.45 180.41 1x02 h ASP 22 N 0.16 0.99 0.00 0.86 3.32 -1.89 -3.47 116.42 116.40 1x02 h ASP 22 Ca -0.12 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1x02 h ASP 22 Cb 1.79 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 41.08 1x02 h ASP 22 CO 0.19 1.01 0.00 0.61 -1.72 0.00 0.00 179.24 179.34 1x02 n GLY 23 N -0.56 2.78 0.36 2.75 0.00 -1.24 -4.93 105.19 104.35 1x02 n GLY 23 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 1x02 n GLY 23 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1x02 h ASP 24 N 0.21 -1.20 0.00 1.61 2.03 -1.91 -3.45 116.42 113.72 1x02 h ASP 24 Ca 0.00 0.28 0.00 0.00 -0.73 0.00 0.00 57.03 56.58 1x02 h ASP 24 Cb 0.00 0.66 0.00 0.00 -0.83 0.00 0.00 39.33 39.16 1x02 h ASP 24 CO 0.00 -0.30 0.00 0.61 -1.03 0.00 0.00 179.24 178.52 1x02 n GLY 25 N -1.50 0.60 3.19 7.15 0.00 -1.26 -5.15 105.19 108.22 1x02 n GLY 25 Ca 0.10 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.73 0.13 -0.26 2.61 -4.23 -1.26 -4.12 115.64 107.78 1x02 s THR 26 Ca 0.00 -1.67 -0.00 0.00 -1.18 0.00 0.00 61.69 58.83 1x02 s THR 26 Cb 0.00 -1.79 0.08 0.00 1.34 0.00 0.00 72.50 72.13 1x02 s THR 26 CO 0.00 -0.57 0.03 -0.63 -0.54 0.00 0.00 174.62 172.91 1x02 s ILE 27 N -3.98 1.12 0.29 2.99 1.01 -0.54 -4.38 121.20 117.71 1x02 s ILE 27 Ca 0.16 -1.19 0.07 0.00 0.00 0.00 0.00 60.65 59.69 1x02 s ILE 27 Cb 0.06 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.88 1x02 s ILE 27 CO -0.03 -0.35 0.26 0.28 0.00 0.00 0.00 174.94 175.10 1x02 s THR 28 N 1.55 4.12 0.32 2.92 -1.32 -1.26 -2.73 115.64 119.24 1x02 s THR 28 Ca 0.02 -1.34 0.16 0.00 -1.21 0.00 0.00 61.69 59.32 1x02 s THR 28 Cb -0.18 -3.35 0.32 0.00 -1.51 0.00 0.00 72.50 67.78 1x02 s THR 28 CO -0.13 -0.27 1.38 0.35 -2.21 0.00 0.00 174.62 173.74 1x02 n THR 29 N -1.30 -0.37 -0.10 5.08 -2.24 -1.26 0.14 114.28 114.23 1x02 n THR 29 Ca -0.05 1.80 -0.06 0.00 -2.27 0.00 0.00 64.05 63.47 1x02 n THR 29 Cb 0.59 -2.88 0.01 0.00 -2.10 0.00 0.00 70.33 65.95 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 0.16 0.03 -0.78 1.63 -1.95 0.79 116.57 116.45 1x02 h LYS 30 Ca 0.71 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.50 1x02 h LYS 30 Cb 1.84 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 33.43 1x02 h LYS 30 CO -0.70 0.11 -0.02 0.93 -3.45 0.00 0.00 179.45 176.32 1x02 h GLU 31 N 0.17 -0.04 -1.00 1.90 5.08 0.85 -2.92 114.58 118.61 1x02 h GLU 31 Ca 0.17 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.75 1x02 h GLU 31 Cb 0.20 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.36 1x02 h GLU 31 CO -0.23 -0.03 0.62 1.25 -1.00 0.00 0.00 179.01 179.62 1x02 h LEU 32 N -0.81 0.62 -0.50 1.33 5.85 -0.86 0.69 115.31 121.62 1x02 h LEU 32 Ca -0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1x02 h LEU 32 Cb 0.03 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1x02 h LEU 32 CO 0.01 0.18 0.00 1.23 -0.34 0.00 0.00 178.44 179.51 1x02 h GLY 33 N 0.58 0.00 1.87 3.75 0.00 0.48 -1.06 103.07 108.69 1x02 h GLY 33 Ca 0.58 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.69 1x02 h GLY 33 CO -0.35 0.00 -1.04 0.00 0.00 0.00 0.00 176.54 175.16 1x02 h THR 34 N 0.00 1.62 0.05 4.70 1.03 0.59 -3.15 112.91 117.74 1x02 h THR 34 Ca 0.00 -3.17 -0.34 0.00 -0.01 0.00 0.00 66.41 62.89 1x02 h THR 34 Cb 0.62 2.80 -0.04 0.00 -1.07 0.00 0.00 68.15 70.46 1x02 h THR 34 CO 0.00 0.91 -2.01 0.52 -0.01 0.00 0.00 175.52 174.93 1x02 n VAL 35 N -3.46 1.63 0.09 0.00 0.31 -0.99 -4.08 118.33 111.82 1x02 n VAL 35 Ca -0.03 -0.72 -0.12 0.00 -0.01 0.00 0.00 64.34 63.46 1x02 n VAL 35 Cb 0.93 -1.26 -0.06 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 0.03 -0.23 0.00 5.55 2.86 -1.31 -0.86 114.93 120.97 1x02 h MET 36 Ca -0.41 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.24 1x02 h MET 36 Cb 2.04 0.05 0.00 0.00 0.06 0.00 0.00 31.60 33.75 1x02 h MET 36 CO 0.05 -0.15 0.00 0.07 1.06 0.00 0.00 176.91 177.94 1x02 h ARG 37 N -0.24 0.00 0.00 1.72 -0.00 -1.74 -0.18 114.38 113.94 1x02 h ARG 37 Ca 0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 59.94 1x02 h ARG 37 Cb 0.25 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.21 1x02 h ARG 37 CO -0.06 0.00 -0.25 1.03 -0.00 0.00 0.00 179.97 180.69 1x02 h SER 38 N 0.00 0.00 0.21 0.08 0.87 -1.30 -3.18 113.55 110.23 1x02 h SER 38 Ca 0.00 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.21 1x02 h SER 38 Cb 0.02 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 1x02 h SER 38 CO 0.00 0.25 -1.93 0.18 -0.53 0.00 0.00 176.83 174.80 1x02 n LEU 39 N -3.40 2.24 0.00 2.23 4.77 -0.09 -4.98 117.00 117.76 1x02 n LEU 39 Ca 0.00 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1x02 n LEU 39 Cb 0.45 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1x02 n LEU 39 CO 0.34 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 177.76 1x02 n GLY 40 N 1.89 0.49 0.10 -0.72 0.00 -1.12 -5.08 105.19 100.74 1x02 n GLY 40 Ca -0.28 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.68 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 0.35 -3.68 1.61 1.13 -1.19 -5.02 117.38 110.57 1x02 n GLN 41 Ca 0.00 0.14 -0.24 0.00 -1.94 0.00 0.00 57.00 54.96 1x02 n GLN 41 Cb 0.00 -1.10 0.03 0.00 0.11 0.00 0.00 30.24 29.28 1x02 n GLN 41 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1x02 n ASN 42 N -3.81 -2.65 -4.72 1.08 4.13 -1.26 -4.93 115.26 103.10 1x02 n ASN 42 Ca -0.09 -0.88 -0.30 0.00 1.68 0.00 0.00 54.58 54.99 1x02 n ASN 42 Cb 0.34 -3.90 0.14 0.00 -1.54 0.00 0.00 39.78 34.82 1x02 n ASN 42 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1x02 s PRO 43 N -5.87 1.25 0.18 3.52 0.04 -1.26 -5.03 135.00 127.82 1x02 s PRO 43 Ca 0.17 0.81 0.01 0.00 0.04 0.00 0.00 61.00 62.03 1x02 s PRO 43 Cb -0.05 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.64 1x02 s PRO 43 CO 0.83 -2.25 0.35 0.95 0.04 0.00 0.00 177.00 176.92 1x02 s THR 44 N -2.94 5.26 0.18 1.26 -4.23 -1.26 -4.82 115.64 109.09 1x02 s THR 44 Ca 0.63 -0.52 -0.13 0.00 -1.18 0.00 0.00 61.69 60.49 1x02 s THR 44 Cb -0.18 -3.74 0.19 0.00 1.34 0.00 0.00 72.50 70.11 1x02 s THR 44 CO 0.57 -0.15 1.20 -0.62 -0.54 0.00 0.00 174.62 175.08 1x02 n GLU 45 N -0.64 -0.18 -0.31 3.99 1.02 -1.26 0.21 120.64 123.47 1x02 n GLU 45 Ca -0.06 1.19 0.09 0.00 -0.02 0.00 0.00 57.16 58.36 1x02 n GLU 45 Cb 0.54 -1.77 0.25 0.00 -0.02 0.00 0.00 31.44 30.44 1x02 n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x02 h ALA 46 N 1.08 1.39 0.18 0.62 0.00 -1.99 0.20 119.26 120.74 1x02 h ALA 46 Ca 0.27 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 1x02 h ALA 46 Cb 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1x02 h ALA 46 CO -0.77 -0.08 -0.08 0.93 0.00 0.00 0.00 179.25 179.25 1x02 h GLU 47 N 0.67 -0.23 -0.27 0.00 4.39 0.22 -2.01 114.58 117.34 1x02 h GLU 47 Ca 0.50 0.02 0.06 0.00 0.34 0.00 0.00 59.36 60.27 1x02 h GLU 47 Cb 0.72 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.36 1x02 h GLU 47 CO -0.37 0.18 -0.13 -0.07 -1.16 0.00 0.00 179.01 177.46 1x02 h LEU 48 N -0.74 -0.45 -0.27 1.33 3.38 -0.30 0.22 115.31 118.48 1x02 h LEU 48 Ca -0.02 0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.08 1x02 h LEU 48 Cb 0.51 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 1x02 h LEU 48 CO 0.04 -0.17 0.09 1.56 0.09 0.00 0.00 178.44 180.05 1x02 h GLN 49 N -0.10 0.21 -0.81 1.13 1.08 -0.69 0.94 115.11 116.88 1x02 h GLN 49 Ca 0.14 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1x02 h GLN 49 Cb 0.31 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.66 1x02 h GLN 49 CO -0.34 0.14 0.50 -0.44 -0.95 0.00 0.00 178.83 177.74 1x02 h ASP 50 N 0.22 0.96 -0.19 1.46 3.32 -0.72 0.18 116.42 121.65 1x02 h ASP 50 Ca 0.12 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 1x02 h ASP 50 Cb 0.08 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1x02 h ASP 50 CO -0.12 0.72 -0.08 0.24 -1.72 0.00 0.00 179.24 178.28 1x02 h MET 51 N 1.11 0.38 0.67 3.56 2.86 0.07 -3.10 114.93 120.47 1x02 h MET 51 Ca 0.29 -0.16 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 1x02 h MET 51 Cb -0.07 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 31.58 1x02 h MET 51 CO -0.06 0.67 -0.32 0.82 1.06 0.00 0.00 176.91 179.09 1x02 h ILE 52 N 0.08 0.03 -0.85 -1.22 2.04 -0.52 -3.13 117.51 113.94 1x02 h ILE 52 Ca 0.04 -0.34 0.35 0.00 1.00 0.00 0.00 64.86 65.91 1x02 h ILE 52 Cb 0.55 0.05 -0.15 0.00 -0.74 0.00 0.00 36.82 36.53 1x02 h ILE 52 CO 0.03 0.01 0.44 0.59 0.00 0.00 0.00 178.15 179.21 1x02 n ASN 53 N -5.37 0.28 -0.15 1.72 3.02 0.61 0.14 115.26 115.51 1x02 n ASN 53 Ca -0.11 1.42 -0.03 0.00 -0.03 0.00 0.00 54.58 55.83 1x02 n ASN 53 Cb 0.36 -0.68 0.05 0.00 -0.61 0.00 0.00 39.78 38.90 1x02 n ASN 53 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1x02 h GLU 54 N 0.00 0.13 0.20 3.52 4.39 -1.48 -2.69 114.58 118.65 1x02 h GLU 54 Ca 0.71 -0.01 -0.33 0.00 0.34 0.00 0.00 59.36 60.07 1x02 h GLU 54 Cb 1.87 -0.03 0.02 0.00 -0.10 0.00 0.00 28.75 30.51 1x02 h GLU 54 CO -0.66 0.08 -1.56 0.28 -1.16 0.00 0.00 179.01 176.00 1x02 h VAL 55 N 0.13 1.17 0.00 3.13 2.07 0.11 -3.46 116.25 119.41 1x02 h VAL 55 Ca 0.24 -2.69 -0.74 0.00 0.82 0.00 0.00 66.70 64.33 1x02 h VAL 55 Cb 0.35 2.90 -0.04 0.00 -1.52 0.00 0.00 31.29 32.98 1x02 h VAL 55 CO -0.38 0.84 1.30 -0.67 0.02 0.00 0.00 177.57 178.67 1x02 n ASP 56 N -3.62 0.71 -0.06 0.57 2.03 0.67 -4.79 116.55 112.06 1x02 n ASP 56 Ca -0.18 0.64 -0.10 0.00 0.52 0.00 0.00 54.79 55.67 1x02 n ASP 56 Cb 1.08 -0.87 -0.03 0.00 -0.72 0.00 0.00 41.12 40.57 1x02 n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x02 n ALA 57 N 7.40 1.55 -0.28 -1.67 0.00 -1.26 -4.60 120.51 121.66 1x02 n ALA 57 Ca 0.54 -0.63 0.20 0.00 0.00 0.00 0.00 53.44 53.55 1x02 n ALA 57 Cb -0.04 0.13 0.38 0.00 0.00 0.00 0.00 19.45 19.92 1x02 n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1x02 n ASP 58 N -4.11 0.11 0.00 0.00 5.75 -1.26 -4.77 116.55 112.27 1x02 n ASP 58 Ca -0.17 1.40 0.00 0.00 -0.01 0.00 0.00 54.79 56.01 1x02 n ASP 58 Cb 0.46 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 1x02 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x02 n GLY 59 N -1.31 0.88 0.23 6.12 0.00 -1.26 -5.04 105.19 104.81 1x02 n GLY 59 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 2.78 0.00 1.61 6.94 -1.26 -5.07 115.26 120.26 1x02 n ASN 60 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1x02 n ASN 60 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 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 3.15 4.15 3.73 4.83 0.00 -1.26 -5.10 105.19 114.69 1x02 n GLY 61 Ca 0.00 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.77 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 0.00 5.08 0.58 2.61 -4.23 -1.26 -4.64 115.64 113.77 1x02 s THR 62 Ca 0.00 1.17 -0.20 0.00 -1.18 0.00 0.00 61.69 61.48 1x02 s THR 62 Cb 0.00 -3.91 -0.04 0.00 1.34 0.00 0.00 72.50 69.89 1x02 s THR 62 CO 0.00 0.33 1.30 -0.63 -0.54 0.00 0.00 174.62 175.08 1x02 s ILE 63 N 0.45 2.22 0.27 2.99 1.01 -1.10 -4.75 121.20 122.30 1x02 s ILE 63 Ca 0.31 0.15 0.01 0.00 0.00 0.00 0.00 60.65 61.13 1x02 s ILE 63 Cb -0.17 -3.07 0.01 0.00 0.01 0.00 0.00 42.46 39.25 1x02 s ILE 63 CO 0.14 -0.02 0.12 0.47 0.00 0.00 0.00 174.94 175.66 1x02 n ASP 64 N -1.39 2.25 0.01 3.58 8.00 -1.26 -1.47 116.55 126.27 1x02 n ASP 64 Ca 0.13 -2.05 -0.12 0.00 0.71 0.00 0.00 54.79 53.46 1x02 n ASP 64 Cb 0.47 0.07 -0.08 0.00 -0.02 0.00 0.00 41.12 41.56 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 0.81 0.05 -0.22 1.24 3.57 -1.97 0.82 116.94 121.24 1x02 h PHE 65 Ca -0.20 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.21 1x02 h PHE 65 Cb 0.66 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 1x02 h PHE 65 CO 0.00 0.23 -0.22 -1.00 -2.23 0.00 0.00 178.31 175.09 1x02 h PRO 66 N -0.16 0.54 -0.57 6.41 0.13 -1.97 -3.20 132.00 133.19 1x02 h PRO 66 Ca 0.01 -0.29 -0.06 0.00 -0.87 0.00 0.00 66.00 64.79 1x02 h PRO 66 Cb 0.21 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.33 1x02 h PRO 66 CO -0.00 0.87 0.12 0.93 -0.23 0.00 0.00 178.00 179.69 1x02 h GLU 67 N 0.22 0.92 -0.89 0.86 5.08 -1.91 -2.88 114.58 115.97 1x02 h GLU 67 Ca 0.03 -0.23 0.18 0.00 -1.00 0.00 0.00 59.36 58.35 1x02 h GLU 67 Cb 0.78 -0.12 -0.11 0.00 0.50 0.00 0.00 28.75 29.80 1x02 h GLU 67 CO 0.06 0.86 0.46 0.35 -1.00 0.00 0.00 179.01 179.73 1x02 h PHE 68 N 0.82 0.79 -1.13 4.33 3.57 -0.85 0.92 116.94 125.39 1x02 h PHE 68 Ca 0.18 0.04 0.33 0.00 3.53 0.00 0.00 57.97 62.04 1x02 h PHE 68 Cb 0.37 -0.21 -0.11 0.00 2.79 0.00 0.00 35.95 38.79 1x02 h PHE 68 CO 0.03 0.11 0.72 -0.07 -2.23 0.00 0.00 178.31 176.87 1x02 h LEU 69 N 0.57 0.38 -0.35 0.59 3.38 -1.50 0.29 115.31 118.67 1x02 h LEU 69 Ca 0.52 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.58 1x02 h LEU 69 Cb 0.84 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1x02 h LEU 69 CO -0.42 -0.02 0.15 0.74 0.09 0.00 0.00 178.44 178.98 1x02 h THR 70 N 0.28 1.18 -0.22 0.22 2.02 -0.95 -2.74 112.91 112.70 1x02 h THR 70 Ca 0.68 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 67.32 1x02 h THR 70 Cb 1.88 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 69.15 1x02 h THR 70 CO -0.35 0.19 0.12 -0.03 0.37 0.00 0.00 175.52 175.82 1x02 h MET 71 N 0.42 0.30 -0.96 6.66 1.85 -0.51 -2.59 114.93 120.11 1x02 h MET 71 Ca 0.12 -0.04 0.19 0.00 -0.61 0.00 0.00 59.70 59.37 1x02 h MET 71 Cb 0.16 -0.06 -0.11 0.00 0.43 0.00 0.00 31.60 32.02 1x02 h MET 71 CO -0.01 0.28 0.55 0.52 -0.40 0.00 0.00 176.91 177.85 1x02 h MET 72 N 0.24 0.65 0.05 0.39 2.07 -1.24 0.50 114.93 117.58 1x02 h MET 72 Ca 0.08 -0.04 -0.00 0.00 -2.07 0.00 0.00 59.70 57.67 1x02 h MET 72 Cb 0.07 -0.15 0.00 0.00 -1.87 0.00 0.00 31.60 29.65 1x02 h MET 72 CO -0.01 0.43 -0.02 0.00 1.07 0.00 0.00 176.91 178.37 1x02 h ALA 73 N 1.65 -0.06 -0.23 6.32 0.00 -1.17 0.58 119.26 126.35 1x02 h ALA 73 Ca 0.56 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1x02 h ALA 73 Cb 0.92 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1x02 h ALA 73 CO -0.41 -0.44 0.00 2.89 0.00 0.00 0.00 179.25 181.29 1x02 n ARG 74 N -5.03 2.25 0.00 0.00 1.85 -0.52 -3.65 116.66 111.56 1x02 n ARG 74 Ca -0.08 -1.13 0.00 0.00 -1.00 0.00 0.00 57.85 55.64 1x02 n ARG 74 Cb 0.13 -1.64 0.00 0.00 -1.05 0.00 0.00 32.46 29.90 1x02 n ARG 74 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 1x02 n LYS 75 N 0.25 2.67 -0.33 2.89 3.00 0.16 -4.75 118.16 122.06 1x02 n LYS 75 Ca 0.10 0.00 0.19 0.00 -0.00 0.00 0.00 58.31 58.60 1x02 n LYS 75 Cb 0.51 -0.84 0.44 0.00 0.00 0.00 0.00 35.03 35.14 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 0.50 -0.65 1.64 2.86 0.10 0.34 114.93 119.72 1x02 h MET 76 Ca 0.00 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1x02 h MET 76 Cb 0.63 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.15 1x02 h MET 76 CO 0.00 0.33 0.43 1.57 1.06 0.00 0.00 176.91 180.30 1x02 h LYS 77 N 0.52 0.84 0.00 1.72 5.09 -1.83 1.38 116.57 124.29 1x02 h LYS 77 Ca 0.59 -0.05 -0.05 0.00 0.09 0.00 0.00 60.65 61.23 1x02 h LYS 77 Cb 1.28 -0.19 -0.01 0.00 0.10 0.00 0.00 32.23 33.41 1x02 h LYS 77 CO -0.34 0.56 -0.24 -0.44 -2.09 0.00 0.00 179.45 176.89 1x02 h ASP 78 N 0.87 0.00 -0.00 7.07 3.32 -0.64 -2.90 116.42 124.13 1x02 h ASP 78 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1x02 h ASP 78 Cb -0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.47 1x02 h ASP 78 CO -0.05 0.24 -0.62 0.35 -1.72 0.00 0.00 179.24 177.44 1x02 n THR 79 N -3.49 0.00 -0.26 0.35 -2.24 -0.32 -4.57 114.28 103.74 1x02 n THR 79 Ca -0.00 -0.19 0.23 0.00 -2.27 0.00 0.00 64.05 61.82 1x02 n THR 79 Cb 0.41 1.06 0.43 0.00 -2.10 0.00 0.00 70.33 70.13 1x02 n THR 79 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1x02 n ASP 80 N -1.00 0.22 -0.22 3.42 -0.08 0.46 -0.02 116.55 119.34 1x02 n ASP 80 Ca 0.04 1.32 0.15 0.00 -1.51 0.00 0.00 54.79 54.80 1x02 n ASP 80 Cb 0.27 -0.62 0.29 0.00 2.34 0.00 0.00 41.12 43.41 1x02 n ASP 80 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1x02 n SER 81 N -4.85 0.08 -0.23 1.67 7.64 -1.26 -0.52 113.62 116.15 1x02 n SER 81 Ca 0.28 1.10 -0.05 0.00 1.01 0.00 0.00 58.87 61.22 1x02 n SER 81 Cb 0.96 -0.47 -0.04 0.00 -1.01 0.00 0.00 64.21 63.65 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 -4.67 -0.22 -0.11 1.43 2.13 0.97 0.14 120.64 120.32 1x02 n GLU 82 Ca 0.20 0.84 -0.07 0.00 0.66 0.00 0.00 57.16 58.80 1x02 n GLU 82 Cb 0.68 -1.24 -0.00 0.00 0.27 0.00 0.00 31.44 31.14 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 -0.20 -1.01 5.31 4.39 -1.05 0.24 114.58 122.25 1x02 h GLU 83 Ca 0.11 0.01 0.29 0.00 0.34 0.00 0.00 59.36 60.12 1x02 h GLU 83 Cb 0.25 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.91 1x02 h GLU 83 CO -0.53 -0.14 1.13 0.93 -1.16 0.00 0.00 179.01 179.24 1x02 h GLU 84 N -0.21 0.00 0.07 2.33 4.39 0.10 1.92 114.58 123.18 1x02 h GLU 84 Ca 0.18 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.57 1x02 h GLU 84 Cb 0.49 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 1x02 h GLU 84 CO -0.50 0.00 -1.64 0.82 -1.16 0.00 0.00 179.01 176.53 1x02 h ILE 85 N 0.00 0.99 -0.65 3.13 2.04 -0.36 -3.37 117.51 119.29 1x02 h ILE 85 Ca 0.48 -2.72 0.14 0.00 1.00 0.00 0.00 64.86 63.75 1x02 h ILE 85 Cb 2.74 2.60 -0.12 0.00 -0.74 0.00 0.00 36.82 41.30 1x02 h ILE 85 CO -0.01 0.73 -0.10 0.03 0.00 0.00 0.00 178.15 178.81 1x02 h ARG 86 N 0.04 0.04 -0.97 2.37 2.47 0.33 -0.55 114.38 118.12 1x02 h ARG 86 Ca -0.27 -0.00 0.20 0.00 -1.26 0.00 0.00 59.98 58.64 1x02 h ARG 86 Cb 2.00 -0.01 -0.18 0.00 -1.65 0.00 0.00 29.97 30.13 1x02 h ARG 86 CO 0.12 0.03 -0.22 0.93 0.56 0.00 0.00 179.97 181.38 1x02 h GLU 87 N 0.04 0.00 -0.27 0.04 4.39 -1.70 0.47 114.58 117.56 1x02 h GLU 87 Ca 0.33 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.02 1x02 h GLU 87 Cb 0.52 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1x02 h GLU 87 CO -0.63 0.00 0.14 0.00 -1.16 0.00 0.00 179.01 177.36 1x02 h ALA 88 N 1.97 0.34 -0.93 3.43 0.00 -1.33 -2.58 119.26 120.16 1x02 h ALA 88 Ca 0.48 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.39 1x02 h ALA 88 Cb 0.75 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 1x02 h ALA 88 CO -0.99 -0.11 0.60 0.35 0.00 0.00 0.00 179.25 179.09 1x02 h PHE 89 N 0.31 1.05 0.71 0.00 3.04 0.06 -2.74 116.94 119.36 1x02 h PHE 89 Ca 0.09 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.04 1x02 h PHE 89 Cb 0.09 -0.34 0.01 0.00 2.56 0.00 0.00 35.95 38.26 1x02 h PHE 89 CO -0.03 0.52 -0.34 0.00 -2.02 0.00 0.00 178.31 176.44 1x02 h ARG 90 N 1.00 -0.92 -0.98 1.11 3.08 -0.49 -2.90 114.38 114.28 1x02 h ARG 90 Ca 0.41 0.06 0.23 0.00 0.07 0.00 0.00 59.98 60.76 1x02 h ARG 90 Cb 0.29 0.21 -0.18 0.00 0.08 0.00 0.00 29.97 30.36 1x02 h ARG 90 CO -0.17 -0.60 -0.12 0.28 -1.07 0.00 0.00 179.97 178.29 1x02 n VAL 91 N -5.48 -0.41 -0.31 2.04 0.31 -1.00 0.14 118.33 113.61 1x02 n VAL 91 Ca -0.14 2.20 -0.00 0.00 -0.01 0.00 0.00 64.34 66.39 1x02 n VAL 91 Cb 0.39 -3.13 0.13 0.00 -0.91 0.00 0.00 33.84 30.32 1x02 n VAL 91 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1x02 h PHE 92 N 0.00 1.00 -3.08 3.52 -1.00 -1.43 -3.41 116.94 112.54 1x02 h PHE 92 Ca 0.53 0.03 -0.53 0.00 2.81 0.00 0.00 57.97 60.80 1x02 h PHE 92 Cb 0.96 -0.32 0.01 0.00 3.61 0.00 0.00 35.95 40.20 1x02 h PHE 92 CO -0.63 0.53 0.66 0.34 -1.61 0.00 0.00 178.31 177.60 1x02 s ASP 93 N -5.81 6.95 -0.09 2.17 -1.08 0.36 -4.19 116.67 114.98 1x02 s ASP 93 Ca -0.13 2.14 -0.07 0.00 -0.52 0.00 0.00 52.55 53.97 1x02 s ASP 93 Cb 0.18 -2.58 -0.02 0.00 -1.46 0.00 0.00 42.92 39.04 1x02 s ASP 93 CO 0.79 -0.57 -0.13 0.29 0.52 0.00 0.00 175.17 176.06 1x02 n LYS 94 N 4.14 0.28 -0.31 4.34 5.02 -1.26 -4.48 118.16 125.89 1x02 n LYS 94 Ca 0.10 0.33 0.06 0.00 -2.02 0.00 0.00 58.31 56.79 1x02 n LYS 94 Cb 0.44 -1.23 0.22 0.00 -0.02 0.00 0.00 35.03 34.44 1x02 n LYS 94 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 1x02 h ASP 95 N -0.59 0.65 -0.89 4.39 3.04 -1.93 -3.46 116.42 117.62 1x02 h ASP 95 Ca 0.00 0.07 0.00 0.00 -3.24 0.00 0.00 57.03 53.86 1x02 h ASP 95 Cb 0.38 -0.04 0.00 0.00 -1.04 0.00 0.00 39.33 38.63 1x02 h ASP 95 CO 0.00 0.32 0.00 0.61 -2.04 0.00 0.00 179.24 178.13 1x02 n GLY 96 N -1.33 0.96 0.13 7.15 0.00 -1.26 -5.00 105.19 105.84 1x02 n GLY 96 Ca 0.17 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 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 1.34 2.02 0.00 1.61 6.94 -1.26 -5.01 115.26 120.90 1x02 n ASN 97 Ca 0.00 0.22 0.00 0.00 -0.02 0.00 0.00 54.58 54.78 1x02 n ASN 97 Cb 0.45 -0.82 0.00 0.00 -2.36 0.00 0.00 39.78 37.05 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 1.81 0.60 3.46 4.83 0.00 -1.26 -5.14 105.19 109.49 1x02 n GLY 98 Ca -0.37 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 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 2.63 -0.44 1.61 1.51 -1.26 -4.31 117.35 117.08 1x02 s TYR 99 Ca 0.00 -0.21 -0.18 0.00 -1.01 0.00 0.00 57.07 55.67 1x02 s TYR 99 Cb 0.00 -1.57 0.03 0.00 -0.11 0.00 0.00 41.96 40.31 1x02 s TYR 99 CO 0.00 0.18 0.50 0.42 -1.11 0.00 0.00 175.55 175.54 1x02 s ILE 100 N -0.77 5.02 0.86 2.71 1.01 -1.16 -4.87 121.20 123.99 1x02 s ILE 100 Ca 0.12 -0.34 -0.12 0.00 0.00 0.00 0.00 60.65 60.31 1x02 s ILE 100 Cb -0.11 -4.12 0.11 0.00 0.01 0.00 0.00 42.46 38.36 1x02 s ILE 100 CO 0.02 -0.53 1.11 -0.94 0.00 0.00 0.00 174.94 174.60 1x02 s SER 101 N 2.04 3.92 0.09 3.58 1.04 -1.26 -0.59 113.70 122.51 1x02 s SER 101 Ca 0.14 1.22 -0.30 0.00 0.48 0.00 0.00 55.95 57.49 1x02 s SER 101 Cb -0.17 -1.90 -0.15 0.00 0.10 0.00 0.00 66.02 63.90 1x02 s SER 101 CO 0.14 -2.32 1.64 0.00 0.98 0.00 0.00 173.24 173.68 1x02 h ALA 102 N -1.34 -0.64 -0.17 5.32 0.00 -1.98 -2.63 119.26 117.83 1x02 h ALA 102 Ca -0.49 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.35 1x02 h ALA 102 Cb 1.29 0.34 -0.06 0.00 0.00 0.00 0.00 17.79 19.36 1x02 h ALA 102 CO 0.59 -0.88 -0.23 0.00 0.00 0.00 0.00 179.25 178.74 1x02 h ALA 103 N -0.09 -0.16 -0.49 0.00 0.00 -1.94 0.23 119.26 116.81 1x02 h ALA 103 Ca -0.04 0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.98 1x02 h ALA 103 Cb 0.54 0.45 -0.08 0.00 0.00 0.00 0.00 17.79 18.70 1x02 h ALA 103 CO 0.02 -0.67 -0.50 0.93 0.00 0.00 0.00 179.25 179.03 1x02 h GLU 104 N -0.27 -0.26 -0.55 0.00 5.08 -1.86 0.43 114.58 117.15 1x02 h GLU 104 Ca 0.11 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1x02 h GLU 104 Cb 0.44 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1x02 h GLU 104 CO -0.32 -0.17 0.34 1.25 -1.00 0.00 0.00 179.01 179.11 1x02 h LEU 105 N -0.27 0.65 -0.50 1.33 6.46 -1.19 -2.77 115.31 119.02 1x02 h LEU 105 Ca 0.08 -0.04 0.10 0.00 -0.12 0.00 0.00 57.88 57.90 1x02 h LEU 105 Cb 0.49 -0.16 -0.10 0.00 -0.73 0.00 0.00 40.66 40.15 1x02 h LEU 105 CO -0.60 0.49 -0.26 -0.09 -0.62 0.00 0.00 178.44 177.36 1x02 h ARG 106 N 0.74 -0.14 0.08 1.25 2.43 0.87 -0.51 114.38 119.10 1x02 h ARG 106 Ca 0.20 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.39 1x02 h ARG 106 Cb -0.05 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 1x02 h ARG 106 CO -0.04 -0.09 -0.18 1.25 -1.51 0.00 0.00 179.97 179.39 1x02 h HIS 107 N -0.14 -0.48 -0.37 2.20 2.76 -0.76 -2.25 115.15 116.11 1x02 h HIS 107 Ca 0.23 0.01 0.08 0.00 -2.20 0.00 0.00 60.37 58.48 1x02 h HIS 107 Cb 0.50 0.20 -0.09 0.00 1.55 0.00 0.00 27.41 29.58 1x02 h HIS 107 CO -0.53 -0.27 -0.31 0.28 -1.30 0.00 0.00 177.93 175.80 1x02 h VAL 108 N -0.34 0.26 -0.53 5.26 2.07 -1.03 -1.25 116.25 120.68 1x02 h VAL 108 Ca 0.03 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.66 1x02 h VAL 108 Cb 0.37 0.26 -0.09 0.00 -1.52 0.00 0.00 31.29 30.31 1x02 h VAL 108 CO -0.12 0.00 -0.03 0.24 0.02 0.00 0.00 177.57 177.68 1x02 h MET 109 N -0.26 0.08 -0.73 1.57 2.86 -0.89 -1.80 114.93 115.77 1x02 h MET 109 Ca 0.17 -0.01 0.13 0.00 -2.06 0.00 0.00 59.70 57.93 1x02 h MET 109 Cb 0.53 -0.02 -0.13 0.00 0.06 0.00 0.00 31.60 32.03 1x02 h MET 109 CO -0.51 0.06 -0.29 1.15 1.06 0.00 0.00 176.91 178.38 1x02 h THR 110 N 0.09 0.16 -0.84 2.22 2.02 -0.63 0.13 112.91 116.06 1x02 h THR 110 Ca 0.27 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.65 1x02 h THR 110 Cb 0.42 0.16 -0.15 0.00 -1.74 0.00 0.00 68.15 66.84 1x02 h THR 110 CO -0.47 0.00 -0.02 0.78 0.37 0.00 0.00 175.52 176.17 1x02 h ASN 111 N -0.08 -0.46 -0.92 4.18 4.21 -1.12 0.25 115.58 121.64 1x02 h ASN 111 Ca 0.30 0.23 0.36 0.00 1.21 0.00 0.00 56.30 58.40 1x02 h ASN 111 Cb 0.57 0.42 -0.17 0.00 -1.12 0.00 0.00 38.32 38.01 1x02 h ASN 111 CO -0.78 -0.24 0.39 0.18 -1.29 0.00 0.00 177.43 175.69 1x02 n LEU 112 N -5.42 0.23 0.00 1.61 4.77 0.46 -4.69 117.00 113.95 1x02 n LEU 112 Ca 0.16 1.54 0.00 0.00 -0.03 0.00 0.00 56.01 57.69 1x02 n LEU 112 Cb 0.55 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1x02 n LEU 112 CO -0.00 -1.69 0.00 0.61 -1.33 0.00 0.00 177.39 174.98 1x02 n GLY 113 N -1.29 0.59 3.24 -0.72 0.00 0.86 -5.16 105.19 102.70 1x02 n GLY 113 Ca 0.32 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.25 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 0.91 -0.30 1.61 0.41 -1.06 -5.10 118.70 115.18 1x02 s GLU 114 Ca 0.00 -0.94 -0.06 0.00 -0.41 0.00 0.00 54.97 53.56 1x02 s GLU 114 Cb 0.00 0.37 0.01 0.00 -1.78 0.00 0.00 34.13 32.73 1x02 s GLU 114 CO 0.00 -0.31 0.08 0.15 -0.49 0.00 0.00 175.26 174.69 1x02 s LYS 115 N -3.86 3.02 0.30 1.61 1.02 -1.26 -4.28 119.74 116.29 1x02 s LYS 115 Ca 0.06 -0.91 0.11 0.00 0.02 0.00 0.00 55.97 55.25 1x02 s LYS 115 Cb 0.04 -3.36 -0.05 0.00 -0.52 0.00 0.00 37.83 33.94 1x02 s LYS 115 CO -0.10 -0.47 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.24 1x02 s LEU 116 N 1.48 2.79 0.22 3.17 1.43 -1.26 -5.10 118.68 121.41 1x02 s LEU 116 Ca 0.02 -0.99 0.03 0.00 -1.03 0.00 0.00 54.13 52.15 1x02 s LEU 116 Cb -0.17 -1.23 -0.05 0.00 0.03 0.00 0.00 46.19 44.76 1x02 s LEU 116 CO 0.02 -0.07 0.02 0.42 0.23 0.00 0.00 176.35 176.98 1x02 s THR 117 N -2.50 0.83 0.43 5.49 -4.23 -1.26 -4.98 115.64 109.42 1x02 s THR 117 Ca 0.32 -2.01 0.32 0.00 -1.18 0.00 0.00 61.69 59.14 1x02 s THR 117 Cb -0.03 -2.36 0.49 0.00 1.34 0.00 0.00 72.50 71.94 1x02 s THR 117 CO 0.17 -0.28 1.55 -0.67 -0.54 0.00 0.00 174.62 174.84 1x02 n ASP 118 N -0.39 0.21 0.15 3.99 2.03 -1.26 0.30 116.55 121.58 1x02 n ASP 118 Ca -0.04 1.38 -0.13 0.00 0.52 0.00 0.00 54.79 56.52 1x02 n ASP 118 Cb 0.64 -0.68 -0.08 0.00 -0.72 0.00 0.00 41.12 40.29 1x02 n ASP 118 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1x02 h GLU 119 N 0.00 -0.39 -0.35 -0.67 4.39 -1.99 -1.09 114.58 114.48 1x02 h GLU 119 Ca 0.87 0.03 0.07 0.00 0.34 0.00 0.00 59.36 60.67 1x02 h GLU 119 Cb 2.79 0.09 -0.09 0.00 -0.10 0.00 0.00 28.75 31.45 1x02 h GLU 119 CO -0.47 -0.06 -0.31 0.93 -1.16 0.00 0.00 179.01 177.93 1x02 h GLU 120 N -0.79 -0.26 -0.44 2.33 4.39 -0.54 -1.45 114.58 117.83 1x02 h GLU 120 Ca -0.04 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.68 1x02 h GLU 120 Cb 0.51 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 1x02 h GLU 120 CO 0.07 -0.17 0.28 0.28 -1.16 0.00 0.00 179.01 178.31 1x02 h VAL 121 N -0.27 1.10 -0.84 3.13 2.07 -1.43 -2.68 116.25 117.34 1x02 h VAL 121 Ca 0.16 -0.20 0.21 0.00 0.82 0.00 0.00 66.70 67.69 1x02 h VAL 121 Cb 0.53 0.47 -0.15 0.00 -1.52 0.00 0.00 31.29 30.62 1x02 h VAL 121 CO -0.50 0.11 0.06 0.44 0.02 0.00 0.00 177.57 177.70 1x02 h ASP 122 N 0.58 -0.31 -0.35 0.57 3.32 -0.13 1.00 116.42 121.10 1x02 h ASP 122 Ca 0.16 0.22 0.06 0.00 0.02 0.00 0.00 57.03 57.49 1x02 h ASP 122 Cb -0.05 0.36 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1x02 h ASP 122 CO -0.04 -0.22 0.24 -0.33 -1.72 0.00 0.00 179.24 177.17 1x02 h GLU 123 N 0.11 0.23 0.00 3.56 5.08 -1.07 -1.98 114.58 120.50 1x02 h GLU 123 Ca 0.49 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.83 1x02 h GLU 123 Cb 0.93 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1x02 h GLU 123 CO -0.73 0.15 -0.00 1.98 -1.00 0.00 0.00 179.01 179.41 1x02 h MET 124 N 0.24 0.00 -0.91 2.33 4.05 0.95 -3.28 114.93 118.30 1x02 h MET 124 Ca 0.16 -0.00 0.19 0.00 -0.28 0.00 0.00 59.70 59.76 1x02 h MET 124 Cb 0.32 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.05 1x02 h MET 124 CO -0.03 0.80 0.59 0.82 0.23 0.00 0.00 176.91 179.33 1x02 h ILE 125 N -0.80 0.71 0.00 1.77 1.08 -0.68 0.69 117.51 120.28 1x02 h ILE 125 Ca -0.00 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 64.29 1x02 h ILE 125 Cb 0.80 0.15 0.00 0.00 -3.07 0.00 0.00 36.82 34.71 1x02 h ILE 125 CO 0.00 0.09 0.00 -2.11 -0.69 0.00 0.00 178.15 175.44 1x02 n ARG 126 N -4.56 0.90 -0.05 2.37 1.85 -0.78 -0.21 116.66 116.19 1x02 n ARG 126 Ca 0.19 0.00 -0.06 0.00 -1.00 0.00 0.00 57.85 56.98 1x02 n ARG 126 Cb 0.63 -1.08 -0.05 0.00 -1.05 0.00 0.00 32.46 30.91 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 -0.41 1.05 -0.07 2.89 2.13 0.24 -4.79 120.64 121.68 1x02 n GLU 127 Ca 0.00 0.04 -0.09 0.00 0.66 0.00 0.00 57.16 57.77 1x02 n GLU 127 Cb 0.04 -1.20 -0.09 0.00 0.27 0.00 0.00 31.44 30.45 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 -2.64 1.66 -1.55 4.31 0.00 -1.10 -4.86 120.51 116.34 1x02 n ALA 128 Ca -0.16 -0.78 -0.43 0.00 0.00 0.00 0.00 53.44 52.06 1x02 n ALA 128 Cb 0.71 0.04 -0.05 0.00 0.00 0.00 0.00 19.45 20.16 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 -2.73 2.60 -0.05 0.00 2.03 0.71 -4.70 116.55 114.41 1x02 n ASP 129 Ca -0.25 0.04 -0.02 0.00 0.52 0.00 0.00 54.79 55.08 1x02 n ASP 129 Cb 0.87 -1.47 -0.01 0.00 -0.72 0.00 0.00 41.12 39.79 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 7.35 0.00 -0.57 5.18 1.08 -1.85 -3.39 117.51 125.31 1x02 h ILE 130 Ca -0.31 -0.83 0.09 0.00 -0.39 0.00 0.00 64.86 63.42 1x02 h ILE 130 Cb 1.27 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.95 1x02 h ILE 130 CO 1.05 0.00 0.17 -2.24 -0.69 0.00 0.00 178.15 176.44 1x02 h ASP 131 N -0.83 0.13 -0.37 1.72 2.03 -1.93 -3.47 116.42 113.70 1x02 h ASP 131 Ca 0.00 0.08 0.00 0.00 -0.73 0.00 0.00 57.03 56.38 1x02 h ASP 131 Cb 0.23 0.09 0.00 0.00 -0.83 0.00 0.00 39.33 38.81 1x02 h ASP 131 CO 0.00 0.09 0.00 0.61 -1.03 0.00 0.00 179.24 178.91 1x02 n GLY 132 N -1.29 0.50 0.16 7.15 0.00 -1.26 -5.02 105.19 105.42 1x02 n GLY 132 Ca 0.08 -0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.18 2.41 -0.98 1.61 5.75 -1.26 -4.96 116.55 118.94 1x02 n ASP 133 Ca 0.00 -2.63 -0.09 0.00 -0.01 0.00 0.00 54.79 52.06 1x02 n ASP 133 Cb 0.09 -0.28 -0.01 0.00 -1.03 0.00 0.00 41.12 39.89 1x02 n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x02 n GLY 134 N -0.89 0.22 3.25 6.12 0.00 -1.26 -5.02 105.19 107.61 1x02 n GLY 134 Ca 0.11 -0.52 -0.14 0.00 0.00 0.00 0.00 46.02 45.46 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 -4.11 1.10 -0.47 1.61 -0.21 -1.26 -3.86 119.66 112.47 1x02 s GLN 135 Ca 0.00 -1.51 0.04 0.00 0.02 0.00 0.00 55.36 53.91 1x02 s GLN 135 Cb 0.00 -0.46 0.16 0.00 1.00 0.00 0.00 33.01 33.72 1x02 s GLN 135 CO 0.00 -0.04 0.35 0.08 -2.12 0.00 0.00 175.29 173.56 1x02 s VAL 136 N -3.49 0.94 0.63 1.09 1.01 0.24 -4.44 120.40 116.39 1x02 s VAL 136 Ca 0.21 -2.87 -0.13 0.00 0.00 0.00 0.00 61.98 59.18 1x02 s VAL 136 Cb 0.05 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 1x02 s VAL 136 CO 0.03 -1.13 1.05 0.54 0.00 0.00 0.00 175.10 175.58 1x02 s ASN 137 N -0.11 5.71 0.28 3.32 2.20 -1.26 -3.00 114.94 122.07 1x02 s ASN 137 Ca 0.28 1.68 0.03 0.00 -0.94 0.00 0.00 52.86 53.91 1x02 s ASN 137 Cb -0.03 -2.51 0.71 0.00 -2.00 0.00 0.00 41.25 37.41 1x02 s ASN 137 CO -0.15 -1.22 1.38 0.00 -2.94 0.00 0.00 177.10 174.18 1x02 n TYR 138 N -2.52 0.59 -0.26 1.54 9.36 -1.26 0.18 117.16 124.79 1x02 n TYR 138 Ca 0.08 1.06 0.02 0.00 3.32 0.00 0.00 57.90 62.38 1x02 n TYR 138 Cb 0.53 -1.18 0.15 0.00 -0.63 0.00 0.00 39.34 38.21 1x02 n TYR 138 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 1x02 h GLU 139 N 0.00 0.63 0.05 2.98 4.81 -1.95 0.55 114.58 121.64 1x02 h GLU 139 Ca 0.55 -0.04 -0.23 0.00 -0.13 0.00 0.00 59.36 59.51 1x02 h GLU 139 Cb 1.16 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 1x02 h GLU 139 CO -0.82 0.41 -1.03 0.93 -0.73 0.00 0.00 179.01 177.77 1x02 h GLU 140 N 0.64 0.29 -0.10 1.92 5.08 0.17 -3.20 114.58 119.38 1x02 h GLU 140 Ca 0.37 -0.37 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1x02 h GLU 140 Cb 0.39 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1x02 h GLU 140 CO -0.27 1.10 -0.44 0.35 -1.00 0.00 0.00 179.01 178.75 1x02 h PHE 141 N 0.13 0.27 -0.07 4.33 3.57 0.48 -3.11 116.94 122.54 1x02 h PHE 141 Ca -0.09 -0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.33 1x02 h PHE 141 Cb 1.71 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 40.39 1x02 h PHE 141 CO 0.05 0.63 0.02 0.28 -2.23 0.00 0.00 178.31 177.06 1x02 h VAL 142 N 0.19 1.18 -0.43 1.41 2.07 0.03 -2.66 116.25 118.04 1x02 h VAL 142 Ca 0.01 -0.55 0.08 0.00 0.82 0.00 0.00 66.70 67.06 1x02 h VAL 142 Cb 0.86 1.41 -0.07 0.00 -1.52 0.00 0.00 31.29 31.97 1x02 h VAL 142 CO 0.07 0.16 0.02 1.56 0.02 0.00 0.00 177.57 179.39 1x02 h GLN 143 N -0.08 0.12 -0.49 1.57 1.08 -1.54 -0.68 115.11 115.09 1x02 h GLN 143 Ca 0.02 -0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.29 1x02 h GLN 143 Cb 0.23 -0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.57 1x02 h GLN 143 CO -0.00 0.08 0.15 1.98 -0.95 0.00 0.00 178.83 180.09 1x02 h MET 144 N 0.13 0.30 -0.78 1.46 1.85 -1.47 0.43 114.93 116.85 1x02 h MET 144 Ca 0.21 -0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 59.28 1x02 h MET 144 Cb 0.30 -0.07 -0.04 0.00 0.43 0.00 0.00 31.60 32.22 1x02 h MET 144 CO -0.34 0.20 0.48 0.52 -0.40 0.00 0.00 176.91 177.37 1x02 h MET 145 N 0.31 1.05 -1.03 0.39 2.86 -0.97 -2.77 114.93 114.77 1x02 h MET 145 Ca 0.24 -0.09 -0.64 0.00 -2.06 0.00 0.00 59.70 57.15 1x02 h MET 145 Cb 0.27 -0.22 -0.34 0.00 0.06 0.00 0.00 31.60 31.37 1x02 h MET 145 CO -0.26 0.72 0.26 0.25 1.06 0.00 0.00 176.91 178.94 1x02 n THR 146 N -4.50 3.21 -3.17 2.22 -2.24 -0.35 -4.91 114.28 104.55 1x02 n THR 146 Ca 0.07 -3.57 -0.45 0.00 -2.27 0.00 0.00 64.05 57.83 1x02 n THR 146 Cb 0.04 -1.17 -0.02 0.00 -2.10 0.00 0.00 70.33 67.09 1x02 n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x02 s ALA 147 N -3.76 3.94 -2.56 6.98 0.00 0.14 -4.90 121.76 121.60 1x02 s ALA 147 Ca 0.58 -3.22 0.20 0.00 0.00 0.00 0.00 51.96 49.53 1x02 s ALA 147 Cb 0.47 -3.75 0.16 0.00 0.00 0.00 0.00 23.12 20.00 1x02 s ALA 147 CO -0.04 -2.54 1.15 0.36 0.00 0.00 0.00 175.76 174.69