#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 -0.28 0.00 5.19 -2.10 -3.32 116.42 115.91 1x02 h ASP 2 Ca 0.00 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 56.23 1x02 h ASP 2 Cb 0.00 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 39.43 1x02 h ASP 2 CO 0.00 0.87 0.23 0.00 -3.12 0.00 0.00 179.24 177.22 1x02 n GLN 3 N -3.19 1.44 -3.11 3.56 1.13 -1.26 -4.29 117.38 111.67 1x02 n GLN 3 Ca -0.06 -0.90 -0.20 0.00 -1.94 0.00 0.00 57.00 53.91 1x02 n GLN 3 Cb 0.93 -1.35 -0.03 0.00 0.11 0.00 0.00 30.24 29.90 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 0.62 1.78 0.00 1.08 4.77 -1.25 -4.85 117.00 119.15 1x02 n LEU 4 Ca 0.17 -5.14 -0.06 0.00 -0.03 0.00 0.00 56.01 50.95 1x02 n LEU 4 Cb 0.62 0.39 0.04 0.00 -2.33 0.00 0.00 43.42 42.13 1x02 n LEU 4 CO 0.21 2.29 0.17 0.41 -1.33 0.00 0.00 177.39 179.14 1x02 n THR 5 N 0.13 0.00 -0.33 -5.08 -1.04 -1.26 -4.27 114.28 102.44 1x02 n THR 5 Ca 0.26 -0.32 0.27 0.00 -2.04 0.00 0.00 64.05 62.23 1x02 n THR 5 Cb 0.60 -1.56 0.44 0.00 -1.82 0.00 0.00 70.33 67.99 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 -1.57 -0.02 0.10 -2.82 -0.58 -1.26 0.16 120.64 114.66 1x02 n GLU 6 Ca 0.04 0.76 -0.12 0.00 -0.42 0.00 0.00 57.16 57.42 1x02 n GLU 6 Cb 0.14 -1.55 -0.05 0.00 -0.57 0.00 0.00 31.44 29.41 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 -0.40 0.03 3.49 9.09 -1.98 -1.26 114.58 123.56 1x02 h GLU 7 Ca 0.56 0.03 -0.00 0.00 0.05 0.00 0.00 59.36 60.00 1x02 h GLU 7 Cb 1.90 0.09 0.00 0.00 -1.65 0.00 0.00 28.75 29.09 1x02 h GLU 7 CO -0.24 -0.26 -0.02 1.96 0.05 0.00 0.00 179.01 180.50 1x02 h GLN 8 N -0.41 -0.04 -0.98 1.06 1.08 0.13 -3.30 115.11 112.65 1x02 h GLN 8 Ca 0.03 0.00 0.33 0.00 -1.45 0.00 0.00 58.65 57.56 1x02 h GLN 8 Cb 0.44 0.01 -0.17 0.00 -0.05 0.00 0.00 27.48 27.71 1x02 h GLN 8 CO -0.14 0.62 0.31 0.82 -0.95 0.00 0.00 178.83 179.50 1x02 h ILE 9 N -0.92 0.09 -0.60 2.54 2.04 -1.28 0.78 117.51 120.16 1x02 h ILE 9 Ca -0.00 -0.02 0.02 0.00 1.00 0.00 0.00 64.86 65.85 1x02 h ILE 9 Cb 0.68 0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1x02 h ILE 9 CO 0.01 0.01 0.38 0.00 0.00 0.00 0.00 178.15 178.56 1x02 h ALA 10 N 1.94 0.77 0.44 1.87 0.00 -1.32 0.24 119.26 123.20 1x02 h ALA 10 Ca 0.70 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.56 1x02 h ALA 10 Cb 1.65 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1x02 h ALA 10 CO -0.79 0.15 -0.21 0.93 0.00 0.00 0.00 179.25 179.34 1x02 h GLU 11 N 0.77 -0.57 -0.21 0.00 4.39 0.45 -1.83 114.58 117.60 1x02 h GLU 11 Ca 0.23 0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.99 1x02 h GLU 11 Cb -0.04 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 1x02 h GLU 11 CO -0.07 -0.27 0.14 0.74 -1.16 0.00 0.00 179.01 178.39 1x02 h PHE 12 N -0.83 0.16 0.50 4.33 0.04 -1.11 -2.38 116.94 117.65 1x02 h PHE 12 Ca -0.06 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.69 1x02 h PHE 12 Cb 0.56 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.66 1x02 h PHE 12 CO 0.00 0.09 -0.24 -0.22 -0.60 0.00 0.00 178.31 177.35 1x02 h LYS 13 N 0.17 -0.65 -0.64 1.51 3.64 -0.36 -2.07 116.57 118.18 1x02 h LYS 13 Ca 0.09 0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.63 1x02 h LYS 13 Cb 0.15 0.15 -0.09 0.00 -0.41 0.00 0.00 32.23 32.02 1x02 h LYS 13 CO -0.01 -0.34 0.15 0.93 -2.27 0.00 0.00 179.45 177.91 1x02 h GLU 14 N -0.97 0.27 0.00 1.90 4.39 -1.06 0.55 114.58 119.66 1x02 h GLU 14 Ca -0.07 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 1x02 h GLU 14 Cb 0.60 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1x02 h GLU 14 CO 0.11 0.18 -0.04 0.00 -1.16 0.00 0.00 179.01 178.10 1x02 h ALA 15 N 1.50 1.13 -0.02 3.43 0.00 -1.43 -1.06 119.26 122.81 1x02 h ALA 15 Ca 0.34 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1x02 h ALA 15 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1x02 h ALA 15 CO -0.42 0.06 -0.21 0.34 0.00 0.00 0.00 179.25 179.02 1x02 n PHE 16 N -3.33 0.00 -0.06 0.00 7.35 0.13 -4.10 117.46 117.44 1x02 n PHE 16 Ca -0.02 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.58 1x02 n PHE 16 Cb 0.19 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 39.87 1x02 n PHE 16 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 1x02 n SER 17 N 0.64 0.49 0.08 -2.13 7.64 0.15 -3.48 113.62 117.01 1x02 n SER 17 Ca 0.11 0.19 -0.14 0.00 1.01 0.00 0.00 58.87 60.04 1x02 n SER 17 Cb 0.50 0.44 -0.06 0.00 -1.01 0.00 0.00 64.21 64.08 1x02 n SER 17 CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 1x02 h LEU 18 N 0.00 0.50 -0.07 -3.43 -0.00 -1.62 -3.32 115.31 107.37 1x02 h LEU 18 Ca -0.43 -0.43 -0.07 0.00 -0.00 0.00 0.00 57.88 56.96 1x02 h LEU 18 Cb 2.13 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 42.64 1x02 h LEU 18 CO 0.05 1.25 -0.22 -0.26 -0.00 0.00 0.00 178.44 179.26 1x02 h PHE 19 N 0.19 0.35 -0.91 0.17 0.04 -1.75 -3.40 116.94 111.63 1x02 h PHE 19 Ca -0.09 -0.14 -0.35 0.00 2.80 0.00 0.00 57.97 60.18 1x02 h PHE 19 Cb 1.67 -0.06 -0.05 0.00 2.20 0.00 0.00 35.95 39.70 1x02 h PHE 19 CO 0.06 0.83 0.89 0.34 -0.60 0.00 0.00 178.31 179.84 1x02 s ASP 20 N -6.22 5.34 0.04 2.17 2.15 -1.23 -4.66 116.67 114.27 1x02 s ASP 20 Ca -0.15 -0.68 -0.17 0.00 0.43 0.00 0.00 52.55 51.98 1x02 s ASP 20 Cb 0.03 -2.56 -0.19 0.00 -0.30 0.00 0.00 42.92 39.91 1x02 s ASP 20 CO 0.75 -2.54 1.22 0.11 -0.17 0.00 0.00 175.17 174.53 1x02 h LYS 21 N 11.42 0.54 -0.70 4.34 1.79 -1.82 -3.23 116.57 128.91 1x02 h LYS 21 Ca 0.07 -0.46 -0.02 0.00 -2.18 0.00 0.00 60.65 58.07 1x02 h LYS 21 Cb 1.02 0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.74 1x02 h LYS 21 CO 1.24 1.09 0.37 -0.44 -1.08 0.00 0.00 179.45 180.63 1x02 h ASP 22 N 0.14 0.87 0.00 0.86 3.32 -1.88 -3.46 116.42 116.26 1x02 h ASP 22 Ca -0.05 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1x02 h ASP 22 Cb 1.22 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.54 1x02 h ASP 22 CO 0.12 0.71 0.00 0.61 -1.72 0.00 0.00 179.24 178.95 1x02 n GLY 23 N -1.20 2.95 0.34 2.75 0.00 -1.22 -4.91 105.19 103.91 1x02 n GLY 23 Ca 0.07 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.19 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 0.12 -0.22 0.00 1.61 5.75 -1.26 -4.75 116.55 117.79 1x02 n ASP 24 Ca 0.00 1.67 0.00 0.00 -0.01 0.00 0.00 54.79 56.45 1x02 n ASP 24 Cb 0.00 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 39.53 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 -1.55 0.90 3.08 6.12 0.00 -1.26 -5.14 105.19 107.35 1x02 n GLY 25 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.99 0.27 -0.29 2.61 -4.23 -1.26 -4.03 115.64 107.73 1x02 s THR 26 Ca 0.00 -1.61 0.01 0.00 -1.18 0.00 0.00 61.69 58.91 1x02 s THR 26 Cb 0.00 -1.24 0.08 0.00 1.34 0.00 0.00 72.50 72.68 1x02 s THR 26 CO 0.00 -0.86 0.02 -0.63 -0.54 0.00 0.00 174.62 172.61 1x02 s ILE 27 N -3.27 1.56 0.41 2.99 1.01 -0.20 -4.48 121.20 119.22 1x02 s ILE 27 Ca 0.02 -1.60 0.04 0.00 0.00 0.00 0.00 60.65 59.12 1x02 s ILE 27 Cb 0.03 -2.02 0.00 0.00 0.01 0.00 0.00 42.46 40.49 1x02 s ILE 27 CO -0.07 -0.41 0.59 0.42 0.00 0.00 0.00 174.94 175.47 1x02 s THR 28 N 1.32 3.69 0.47 2.92 -4.23 -1.26 -3.41 115.64 115.14 1x02 s THR 28 Ca 0.03 -0.79 0.27 0.00 -1.18 0.00 0.00 61.69 60.03 1x02 s THR 28 Cb -0.18 -3.31 0.47 0.00 1.34 0.00 0.00 72.50 70.81 1x02 s THR 28 CO -0.12 -0.17 1.80 0.71 -0.54 0.00 0.00 174.62 176.30 1x02 h THR 29 N 0.58 0.47 -0.04 3.99 1.35 -1.96 0.86 112.91 118.16 1x02 h THR 29 Ca -0.45 -0.06 -0.07 0.00 -0.55 0.00 0.00 66.41 65.28 1x02 h THR 29 Cb 1.26 0.27 -0.01 0.00 -1.73 0.00 0.00 68.15 67.95 1x02 h THR 29 CO 0.53 0.03 -0.30 0.50 -0.25 0.00 0.00 175.52 176.03 1x02 h LYS 30 N 0.19 0.07 0.00 4.72 1.63 -1.95 0.57 116.57 121.80 1x02 h LYS 30 Ca 0.57 -0.02 -0.22 0.00 -0.85 0.00 0.00 60.65 60.12 1x02 h LYS 30 Cb 1.85 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 33.44 1x02 h LYS 30 CO -0.15 0.37 -1.29 0.39 -3.45 0.00 0.00 179.45 175.32 1x02 n GLU 31 N -4.16 0.55 -0.02 1.90 1.02 0.26 -3.52 120.64 116.68 1x02 n GLU 31 Ca -0.02 0.54 -0.04 0.00 -0.02 0.00 0.00 57.16 57.62 1x02 n GLU 31 Cb 0.36 -1.72 0.19 0.00 -0.02 0.00 0.00 31.44 30.25 1x02 n GLU 31 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1x02 h LEU 32 N -1.00 0.56 -0.23 -4.62 5.85 -0.54 -2.38 115.31 112.95 1x02 h LEU 32 Ca -0.34 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.20 1x02 h LEU 32 Cb 1.24 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.12 1x02 h LEU 32 CO -0.21 0.76 0.00 0.61 -0.34 0.00 0.00 178.44 179.27 1x02 n GLY 33 N -0.43 -1.46 0.09 3.75 0.00 0.20 -1.20 105.19 106.14 1x02 n GLY 33 Ca 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 1.21 0.08 2.61 1.03 -1.47 -3.29 112.91 113.08 1x02 h THR 34 Ca 0.00 -2.92 -0.34 0.00 -0.01 0.00 0.00 66.41 63.14 1x02 h THR 34 Cb 0.53 2.69 -0.03 0.00 -1.07 0.00 0.00 68.15 70.27 1x02 h THR 34 CO 0.00 0.78 -1.87 0.52 -0.01 0.00 0.00 175.52 174.94 1x02 n VAL 35 N -3.33 1.70 -0.16 0.00 0.31 -1.13 -3.91 118.33 111.81 1x02 n VAL 35 Ca -0.13 -0.49 -0.02 0.00 -0.01 0.00 0.00 64.34 63.69 1x02 n VAL 35 Cb 1.02 -1.80 0.05 0.00 -0.91 0.00 0.00 33.84 32.20 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 -0.23 0.04 0.00 5.55 2.86 -1.34 0.34 114.93 122.15 1x02 h MET 36 Ca -0.43 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.20 1x02 h MET 36 Cb 1.83 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 33.48 1x02 h MET 36 CO -0.01 0.02 -0.06 0.07 1.06 0.00 0.00 176.91 177.99 1x02 h ARG 37 N 0.04 0.00 -0.88 1.72 -0.00 -1.75 -2.30 114.38 111.21 1x02 h ARG 37 Ca 0.25 0.00 0.02 0.00 -0.00 0.00 0.00 59.98 60.25 1x02 h ARG 37 Cb 0.38 0.00 -0.05 0.00 -0.00 0.00 0.00 29.97 30.31 1x02 h ARG 37 CO -0.49 0.06 0.58 0.66 -0.00 0.00 0.00 179.97 180.78 1x02 h SER 38 N 0.00 0.99 0.01 0.08 4.64 -0.43 -2.63 113.55 116.21 1x02 h SER 38 Ca -0.00 -0.02 -0.26 0.00 -0.47 0.00 0.00 61.79 61.04 1x02 h SER 38 Cb 0.20 -0.24 0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1x02 h SER 38 CO 0.01 0.70 -1.02 -0.07 -0.87 0.00 0.00 176.83 175.58 1x02 h LEU 39 N 1.16 0.88 0.00 5.97 3.38 -1.34 -3.47 115.31 121.88 1x02 h LEU 39 Ca 0.33 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.55 1x02 h LEU 39 Cb -0.09 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.39 1x02 h LEU 39 CO -0.08 1.52 0.00 0.61 0.09 0.00 0.00 178.44 180.58 1x02 n GLY 40 N 1.11 0.30 0.11 0.83 0.00 -0.99 -5.09 105.19 101.46 1x02 n GLY 40 Ca -0.11 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 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 0.14 -3.09 1.61 1.13 -1.16 -4.96 117.38 111.04 1x02 n GLN 41 Ca 0.00 0.05 -0.13 0.00 -1.94 0.00 0.00 57.00 54.98 1x02 n GLN 41 Cb 0.00 -0.71 0.07 0.00 0.11 0.00 0.00 30.24 29.71 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 -3.03 -3.53 -4.77 1.08 5.15 -1.26 -4.93 115.26 103.97 1x02 n ASN 42 Ca -0.04 -0.54 -0.40 0.00 -0.60 0.00 0.00 54.58 53.00 1x02 n ASN 42 Cb 0.13 -4.37 -0.03 0.00 -0.53 0.00 0.00 39.78 34.98 1x02 n ASN 42 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1x02 s PRO 43 N -4.75 4.45 0.57 1.20 0.04 -1.26 -5.01 135.00 130.24 1x02 s PRO 43 Ca 0.15 2.05 -0.17 0.00 0.04 0.00 0.00 61.00 63.07 1x02 s PRO 43 Cb -0.02 -3.10 -0.05 0.00 0.04 0.00 0.00 34.50 31.37 1x02 s PRO 43 CO 0.61 -0.04 1.06 0.95 0.04 0.00 0.00 177.00 179.62 1x02 s THR 44 N -1.16 3.73 0.26 1.26 -4.23 -1.26 -4.69 115.64 109.55 1x02 s THR 44 Ca 0.47 0.89 -0.11 0.00 -1.18 0.00 0.00 61.69 61.76 1x02 s THR 44 Cb -0.37 -3.37 0.37 0.00 1.34 0.00 0.00 72.50 70.47 1x02 s THR 44 CO 0.48 -0.41 1.52 -0.62 -0.54 0.00 0.00 174.62 175.05 1x02 n GLU 45 N -1.76 -0.14 -0.31 3.99 1.02 -1.26 0.17 120.64 122.35 1x02 n GLU 45 Ca 0.09 1.51 0.14 0.00 -0.02 0.00 0.00 57.16 58.89 1x02 n GLU 45 Cb 0.53 -2.25 0.38 0.00 -0.02 0.00 0.00 31.44 30.08 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 1.74 1.86 0.13 0.62 0.00 -1.99 0.21 119.26 121.84 1x02 h ALA 46 Ca 0.42 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.37 1x02 h ALA 46 Cb 0.67 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1x02 h ALA 46 CO -0.99 -0.18 -0.06 0.93 0.00 0.00 0.00 179.25 178.95 1x02 h GLU 47 N 0.66 -0.17 -0.80 0.00 4.39 0.14 -1.52 114.58 117.28 1x02 h GLU 47 Ca 0.52 0.01 0.07 0.00 0.34 0.00 0.00 59.36 60.30 1x02 h GLU 47 Cb 0.94 0.04 -0.06 0.00 -0.10 0.00 0.00 28.75 29.57 1x02 h GLU 47 CO -0.28 0.28 0.48 -0.07 -1.16 0.00 0.00 179.01 178.25 1x02 h LEU 48 N -0.72 0.73 -0.57 1.33 3.38 -0.50 -0.69 115.31 118.28 1x02 h LEU 48 Ca -0.02 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 1x02 h LEU 48 Cb 0.53 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1x02 h LEU 48 CO 0.03 0.46 0.00 1.56 0.09 0.00 0.00 178.44 180.58 1x02 h GLN 49 N 0.86 1.00 -0.37 1.13 1.08 -0.65 -1.01 115.11 117.15 1x02 h GLN 49 Ca 0.36 -0.32 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 1x02 h GLN 49 Cb 0.21 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.53 1x02 h GLN 49 CO -0.19 1.00 0.19 -0.44 -0.95 0.00 0.00 178.83 178.44 1x02 h ASP 50 N 0.89 0.47 -0.16 1.46 5.19 -0.49 0.58 116.42 124.36 1x02 h ASP 50 Ca 0.16 -0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 56.45 1x02 h ASP 50 Cb 0.54 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.93 1x02 h ASP 50 CO 0.03 0.44 0.02 0.24 -3.12 0.00 0.00 179.24 176.85 1x02 h MET 51 N 0.46 0.27 -0.23 3.56 2.86 -1.06 -0.58 114.93 120.21 1x02 h MET 51 Ca 0.13 -0.07 -0.09 0.00 -2.06 0.00 0.00 59.70 57.60 1x02 h MET 51 Cb 0.08 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1x02 h MET 51 CO -0.02 0.45 -0.26 0.82 1.06 0.00 0.00 176.91 178.96 1x02 h ILE 52 N 0.04 1.26 -0.39 -1.22 2.04 -1.07 -2.47 117.51 115.70 1x02 h ILE 52 Ca 0.05 -1.27 -0.13 0.00 1.00 0.00 0.00 64.86 64.51 1x02 h ILE 52 Cb 0.32 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1x02 h ILE 52 CO 0.00 0.40 -0.27 0.78 0.00 0.00 0.00 178.15 179.06 1x02 h ASN 53 N 0.40 0.91 -0.46 1.72 2.35 0.32 0.47 115.58 121.28 1x02 h ASN 53 Ca 0.06 -0.43 -0.03 0.00 -0.55 0.00 0.00 56.30 55.35 1x02 h ASN 53 Cb 0.67 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 1x02 h ASN 53 CO 0.05 1.15 0.19 -0.33 -1.65 0.00 0.00 177.43 176.84 1x02 h GLU 54 N 0.68 0.69 0.03 0.81 4.39 -0.95 -2.97 114.58 117.26 1x02 h GLU 54 Ca 0.08 -0.13 -0.22 0.00 0.34 0.00 0.00 59.36 59.43 1x02 h GLU 54 Cb 0.85 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 1x02 h GLU 54 CO 0.07 0.63 -1.00 0.28 -1.16 0.00 0.00 179.01 177.83 1x02 h VAL 55 N 0.61 1.58 0.00 3.13 2.07 -1.42 -3.45 116.25 118.76 1x02 h VAL 55 Ca 0.15 -3.01 -0.37 0.00 0.82 0.00 0.00 66.70 64.29 1x02 h VAL 55 Cb 0.19 2.71 -0.06 0.00 -1.52 0.00 0.00 31.29 32.62 1x02 h VAL 55 CO -0.01 0.87 1.21 -0.67 0.02 0.00 0.00 177.57 178.99 1x02 n ASP 56 N -3.52 0.24 -0.04 0.57 2.03 0.16 -4.76 116.55 111.23 1x02 n ASP 56 Ca -0.03 0.17 -0.04 0.00 0.52 0.00 0.00 54.79 55.41 1x02 n ASP 56 Cb 0.90 -0.65 -0.01 0.00 -0.72 0.00 0.00 41.12 40.64 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 7.20 0.36 -0.23 -1.67 0.00 -1.26 -4.50 120.51 120.41 1x02 n ALA 57 Ca 0.46 -0.47 0.22 0.00 0.00 0.00 0.00 53.44 53.65 1x02 n ALA 57 Cb 0.02 0.01 0.41 0.00 0.00 0.00 0.00 19.45 19.89 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 -3.34 0.22 -0.21 0.00 5.75 -1.26 -4.75 116.55 112.96 1x02 n ASP 58 Ca -0.06 1.21 0.00 0.00 -0.01 0.00 0.00 54.79 55.93 1x02 n ASP 58 Cb 0.21 -0.58 0.00 0.00 -1.03 0.00 0.00 41.12 39.73 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 -1.20 0.74 0.00 6.12 0.00 -1.26 -5.03 105.19 104.56 1x02 n GLY 59 Ca 0.27 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 0.08 3.53 0.00 1.61 6.94 -1.26 -5.06 115.26 121.10 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 0.14 0.06 0.00 0.00 -2.36 0.00 0.00 39.78 37.62 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 3.13 1.71 3.85 4.83 0.00 -1.26 -5.12 105.19 112.33 1x02 n GLY 61 Ca 0.00 -0.18 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.29 4.82 0.26 2.61 -4.23 -1.26 -4.73 115.64 112.83 1x02 s THR 62 Ca 0.00 -0.89 -0.29 0.00 -1.18 0.00 0.00 61.69 59.33 1x02 s THR 62 Cb 0.00 -3.45 -0.09 0.00 1.34 0.00 0.00 72.50 70.29 1x02 s THR 62 CO 0.00 -0.07 0.97 -0.63 -0.54 0.00 0.00 174.62 174.35 1x02 s ILE 63 N -1.71 3.96 0.24 2.99 -1.09 -1.22 -4.87 121.20 119.50 1x02 s ILE 63 Ca 0.32 1.92 0.00 0.00 -2.23 0.00 0.00 60.65 60.66 1x02 s ILE 63 Cb -0.11 -4.20 0.00 0.00 -1.58 0.00 0.00 42.46 36.58 1x02 s ILE 63 CO 0.25 0.41 0.03 0.47 -1.23 0.00 0.00 174.94 174.87 1x02 n ASP 64 N 1.27 2.53 -0.13 3.58 8.00 -1.26 -1.03 116.55 129.51 1x02 n ASP 64 Ca -0.01 -2.01 -0.08 0.00 0.71 0.00 0.00 54.79 53.40 1x02 n ASP 64 Cb 0.47 0.14 -0.00 0.00 -0.02 0.00 0.00 41.12 41.71 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 1.04 0.54 -0.26 1.24 3.57 -1.98 0.28 116.94 121.36 1x02 h PHE 65 Ca -0.19 -0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.16 1x02 h PHE 65 Cb 0.59 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 1x02 h PHE 65 CO 0.00 0.40 -0.42 -1.00 -2.23 0.00 0.00 178.31 175.06 1x02 h PRO 66 N 0.52 0.64 0.15 6.41 0.13 -1.96 -3.23 132.00 134.66 1x02 h PRO 66 Ca 0.14 -0.34 -0.01 0.00 -0.87 0.00 0.00 66.00 64.93 1x02 h PRO 66 Cb 0.02 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.17 1x02 h PRO 66 CO -0.03 0.94 -0.07 0.93 -0.23 0.00 0.00 178.00 179.54 1x02 h GLU 67 N 0.52 -0.19 -1.24 0.86 5.08 -1.87 -3.28 114.58 114.46 1x02 h GLU 67 Ca 0.04 0.01 0.39 0.00 -1.00 0.00 0.00 59.36 58.80 1x02 h GLU 67 Cb 0.94 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.16 1x02 h GLU 67 CO 0.09 -0.13 0.85 0.34 -1.00 0.00 0.00 179.01 179.16 1x02 n PHE 68 N -3.81 0.24 0.00 4.33 -0.00 0.96 0.19 117.46 119.38 1x02 n PHE 68 Ca -0.02 0.24 -0.11 0.00 -0.00 0.00 0.00 57.45 57.56 1x02 n PHE 68 Cb 0.08 -0.62 -0.05 0.00 -0.00 0.00 0.00 39.48 38.88 1x02 n PHE 68 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.76 176.69 1x02 h LEU 69 N 0.00 0.02 -0.63 -2.13 3.38 -1.61 -2.67 115.31 111.67 1x02 h LEU 69 Ca 0.66 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.75 1x02 h LEU 69 Cb 2.43 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 43.11 1x02 h LEU 69 CO -0.16 0.03 0.21 0.74 0.09 0.00 0.00 178.44 179.34 1x02 h THR 70 N 0.07 0.72 0.14 0.22 2.02 0.20 -2.08 112.91 114.19 1x02 h THR 70 Ca 0.04 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.11 1x02 h THR 70 Cb 0.03 0.31 -0.04 0.00 -1.74 0.00 0.00 68.15 66.70 1x02 h THR 70 CO -0.05 0.07 -0.41 -0.03 0.37 0.00 0.00 175.52 175.47 1x02 h MET 71 N 0.37 -0.63 -0.74 6.66 1.85 -1.46 -0.33 114.93 120.65 1x02 h MET 71 Ca 0.33 0.04 0.20 0.00 -0.61 0.00 0.00 59.70 59.66 1x02 h MET 71 Cb 0.44 0.14 -0.04 0.00 0.43 0.00 0.00 31.60 32.58 1x02 h MET 71 CO -0.35 -0.42 0.53 0.52 -0.40 0.00 0.00 176.91 176.78 1x02 h MET 72 N -0.66 0.08 0.07 0.39 2.07 -1.17 1.59 114.93 117.30 1x02 h MET 72 Ca 0.02 -0.01 -0.00 0.00 -2.07 0.00 0.00 59.70 57.64 1x02 h MET 72 Cb 0.68 -0.02 0.00 0.00 -1.87 0.00 0.00 31.60 30.39 1x02 h MET 72 CO -0.23 0.06 -0.03 0.00 1.07 0.00 0.00 176.91 177.78 1x02 h ALA 73 N 1.64 -0.09 -0.21 6.32 0.00 -0.43 0.47 119.26 126.96 1x02 h ALA 73 Ca 0.36 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1x02 h ALA 73 Cb 1.30 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1x02 h ALA 73 CO -0.04 -0.35 0.00 2.89 0.00 0.00 0.00 179.25 181.75 1x02 n ARG 74 N -4.95 1.90 -0.09 0.00 -4.01 -0.52 -3.97 116.66 105.02 1x02 n ARG 74 Ca -0.08 -1.36 -0.11 0.00 -1.04 0.00 0.00 57.85 55.26 1x02 n ARG 74 Cb 0.22 -1.42 -0.11 0.00 -3.04 0.00 0.00 32.46 28.11 1x02 n ARG 74 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 1x02 n LYS 75 N 0.59 1.02 -0.18 2.89 3.00 0.53 -4.42 118.16 121.58 1x02 n LYS 75 Ca 0.17 0.05 0.30 0.00 -0.00 0.00 0.00 58.31 58.82 1x02 n LYS 75 Cb 0.39 -1.40 0.68 0.00 0.00 0.00 0.00 35.03 34.70 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 0.00 0.05 1.64 2.86 -1.03 0.90 114.93 119.35 1x02 h MET 76 Ca -0.43 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 56.97 1x02 h MET 76 Cb 1.83 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.50 1x02 h MET 76 CO -0.02 0.00 -1.05 1.57 1.06 0.00 0.00 176.91 178.47 1x02 h LYS 77 N 0.00 0.33 -0.40 1.72 5.09 -1.80 -3.19 116.57 118.32 1x02 h LYS 77 Ca 0.44 -0.42 0.12 0.00 0.09 0.00 0.00 60.65 60.88 1x02 h LYS 77 Cb 2.12 0.14 -0.02 0.00 0.10 0.00 0.00 32.23 34.57 1x02 h LYS 77 CO -0.00 1.13 0.53 -0.44 -2.09 0.00 0.00 179.45 178.57 1x02 h ASP 78 N 0.15 0.00 -0.14 7.07 5.19 0.61 0.10 116.42 129.41 1x02 h ASP 78 Ca -0.10 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.20 1x02 h ASP 78 Cb 1.72 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.23 1x02 h ASP 78 CO 0.17 0.00 -0.36 0.74 -3.12 0.00 0.00 179.24 176.68 1x02 h THR 79 N 0.00 1.36 -1.11 0.35 2.02 -1.57 -3.12 112.91 110.85 1x02 h THR 79 Ca 0.19 -1.64 0.32 0.00 0.77 0.00 0.00 66.41 66.05 1x02 h THR 79 Cb 1.24 2.06 -0.04 0.00 -1.74 0.00 0.00 68.15 69.66 1x02 h THR 79 CO -0.00 0.49 1.21 -0.67 0.37 0.00 0.00 175.52 176.92 1x02 n ASP 80 N -4.34 0.00 -0.32 4.18 2.03 0.36 -1.35 116.55 117.12 1x02 n ASP 80 Ca -0.07 0.76 0.27 0.00 0.52 0.00 0.00 54.79 56.27 1x02 n ASP 80 Cb 0.51 -0.28 0.46 0.00 -0.72 0.00 0.00 41.12 41.10 1x02 n ASP 80 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1x02 n SER 81 N -3.26 0.15 -0.31 1.67 7.64 -1.18 -0.56 113.62 117.78 1x02 n SER 81 Ca 0.25 0.98 -0.05 0.00 1.01 0.00 0.00 58.87 61.05 1x02 n SER 81 Cb 1.54 -0.48 -0.03 0.00 -1.01 0.00 0.00 64.21 64.23 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 -4.11 -0.27 0.01 1.43 2.13 -0.46 0.44 120.64 119.82 1x02 n GLU 82 Ca 0.28 1.15 -0.10 0.00 0.66 0.00 0.00 57.16 59.15 1x02 n GLU 82 Cb 1.07 -1.69 -0.03 0.00 0.27 0.00 0.00 31.44 31.05 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 -0.28 -1.81 5.31 5.08 -1.13 -0.61 114.58 121.14 1x02 h GLU 83 Ca 0.18 0.02 0.52 0.00 -1.00 0.00 0.00 59.36 59.08 1x02 h GLU 83 Cb 0.36 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.61 1x02 h GLU 83 CO -0.72 -0.19 1.35 0.39 -1.00 0.00 0.00 179.01 178.83 1x02 n GLU 84 N -5.35 0.00 -0.02 2.33 -0.58 0.17 0.12 120.64 117.31 1x02 n GLU 84 Ca -0.03 1.03 -0.18 0.00 -0.42 0.00 0.00 57.16 57.56 1x02 n GLU 84 Cb 0.27 -2.39 -0.13 0.00 -0.57 0.00 0.00 31.44 28.61 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 1.54 -0.50 -3.67 2.04 -0.85 -3.38 117.51 112.68 1x02 h ILE 85 Ca 0.86 -2.40 0.05 0.00 1.00 0.00 0.00 64.86 64.36 1x02 h ILE 85 Cb 3.54 3.15 -0.06 0.00 -0.74 0.00 0.00 36.82 42.71 1x02 h ILE 85 CO -0.01 0.63 -0.30 0.54 0.00 0.00 0.00 178.15 179.01 1x02 n ARG 86 N -4.36 -0.22 -0.30 2.37 3.00 0.33 0.13 116.66 117.61 1x02 n ARG 86 Ca -0.15 1.02 0.20 0.00 -0.01 0.00 0.00 57.85 58.91 1x02 n ARG 86 Cb 0.66 -1.51 0.38 0.00 0.00 0.00 0.00 32.46 31.99 1x02 n ARG 86 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1x02 n GLU 87 N -4.21 -0.07 0.01 5.56 1.02 -1.19 0.99 120.64 122.76 1x02 n GLU 87 Ca 0.01 1.32 -0.12 0.00 -0.02 0.00 0.00 57.16 58.35 1x02 n GLU 87 Cb 0.13 -2.20 -0.07 0.00 -0.02 0.00 0.00 31.44 29.29 1x02 n GLU 87 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x02 h ALA 88 N 1.81 0.06 0.00 0.62 0.00 0.90 -2.00 119.26 120.65 1x02 h ALA 88 Ca 0.64 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.51 1x02 h ALA 88 Cb 1.50 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 1x02 h ALA 88 CO -0.79 -0.41 -0.01 0.35 0.00 0.00 0.00 179.25 178.39 1x02 h PHE 89 N 0.00 0.00 0.16 0.00 3.57 0.11 -2.88 116.94 117.89 1x02 h PHE 89 Ca 0.02 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1x02 h PHE 89 Cb 0.06 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.80 1x02 h PHE 89 CO -0.05 0.01 -0.07 0.00 -2.23 0.00 0.00 178.31 175.96 1x02 h ARG 90 N 0.00 -0.20 -0.28 1.11 3.08 -0.18 -2.07 114.38 115.84 1x02 h ARG 90 Ca -0.00 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.10 1x02 h ARG 90 Cb 0.24 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 1x02 h ARG 90 CO 0.00 0.17 0.07 0.28 -1.07 0.00 0.00 179.97 179.42 1x02 h VAL 91 N -0.62 0.89 -0.93 2.04 2.07 -1.30 -2.14 116.25 116.26 1x02 h VAL 91 Ca -0.02 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.49 1x02 h VAL 91 Cb 0.47 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 1x02 h VAL 91 CO 0.04 0.03 0.61 -0.26 0.02 0.00 0.00 177.57 178.01 1x02 h PHE 92 N 0.18 1.11 -1.19 1.57 0.04 -1.58 -3.32 116.94 113.75 1x02 h PHE 92 Ca 0.13 0.03 -0.65 0.00 2.80 0.00 0.00 57.97 60.27 1x02 h PHE 92 Cb 0.12 -0.37 -0.10 0.00 2.20 0.00 0.00 35.95 37.79 1x02 h PHE 92 CO -0.15 0.61 1.73 0.34 -0.60 0.00 0.00 178.31 180.24 1x02 s ASP 93 N -6.04 6.70 0.00 2.17 2.15 -0.78 -4.32 116.67 116.56 1x02 s ASP 93 Ca -0.12 -2.04 -0.04 0.00 0.43 0.00 0.00 52.55 50.79 1x02 s ASP 93 Cb 0.19 -2.55 -0.02 0.00 -0.30 0.00 0.00 42.92 40.25 1x02 s ASP 93 CO 0.80 -1.27 0.98 0.11 -0.17 0.00 0.00 175.17 175.62 1x02 h LYS 94 N 8.59 -0.12 -0.95 4.34 1.57 -1.75 -3.13 116.57 125.10 1x02 h LYS 94 Ca 0.31 0.01 0.23 0.00 -1.87 0.00 0.00 60.65 59.33 1x02 h LYS 94 Cb 0.94 0.03 -0.12 0.00 0.08 0.00 0.00 32.23 33.16 1x02 h LYS 94 CO 1.40 -0.08 0.50 0.38 -0.57 0.00 0.00 179.45 181.08 1x02 h ASP 95 N -0.14 0.52 -0.80 0.86 3.04 -1.92 -3.46 116.42 114.52 1x02 h ASP 95 Ca -0.01 0.14 0.00 0.00 -3.24 0.00 0.00 57.03 53.92 1x02 h ASP 95 Cb 0.10 0.08 0.00 0.00 -1.04 0.00 0.00 39.33 38.47 1x02 h ASP 95 CO 0.02 0.06 0.00 0.61 -2.04 0.00 0.00 179.24 177.89 1x02 n GLY 96 N -1.32 0.92 0.16 7.15 0.00 -1.19 -5.01 105.19 105.90 1x02 n GLY 96 Ca 0.25 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 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 0.91 2.01 0.00 1.61 6.94 -1.26 -5.04 115.26 120.43 1x02 n ASN 97 Ca 0.00 0.05 0.00 0.00 -0.02 0.00 0.00 54.58 54.61 1x02 n ASN 97 Cb 0.36 -0.52 0.00 0.00 -2.36 0.00 0.00 39.78 37.26 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 1.99 0.87 3.81 4.83 0.00 -1.26 -5.14 105.19 110.29 1x02 n GLY 98 Ca -0.45 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.29 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 3.23 -0.32 1.61 1.51 -1.26 -3.05 117.35 119.07 1x02 s TYR 99 Ca 0.00 0.06 0.03 0.00 -1.01 0.00 0.00 57.07 56.15 1x02 s TYR 99 Cb 0.00 -1.60 0.09 0.00 -0.11 0.00 0.00 41.96 40.35 1x02 s TYR 99 CO 0.00 0.53 0.04 0.42 -1.11 0.00 0.00 175.55 175.42 1x02 s ILE 100 N -1.57 1.92 1.20 2.71 1.01 -1.22 -4.83 121.20 120.42 1x02 s ILE 100 Ca 0.31 -2.00 -0.17 0.00 0.00 0.00 0.00 60.65 58.78 1x02 s ILE 100 Cb -0.11 -2.37 0.28 0.00 0.01 0.00 0.00 42.46 40.27 1x02 s ILE 100 CO 0.24 -0.53 1.06 -0.94 0.00 0.00 0.00 174.94 174.77 1x02 s SER 101 N 1.10 0.91 0.20 3.58 1.04 -1.26 0.00 113.70 119.27 1x02 s SER 101 Ca 0.08 0.93 -0.09 0.00 0.48 0.00 0.00 55.95 57.35 1x02 s SER 101 Cb -0.19 -1.38 0.12 0.00 0.10 0.00 0.00 66.02 64.67 1x02 s SER 101 CO -0.11 -4.16 1.74 0.00 0.98 0.00 0.00 173.24 171.68 1x02 h ALA 102 N -2.60 0.93 0.35 5.32 0.00 -1.97 -2.80 119.26 118.48 1x02 h ALA 102 Ca -0.50 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.18 1x02 h ALA 102 Cb 1.32 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1x02 h ALA 102 CO 0.41 0.60 -0.17 0.00 0.00 0.00 0.00 179.25 180.09 1x02 h ALA 103 N 1.11 -0.47 -0.29 0.00 0.00 -1.93 0.28 119.26 117.96 1x02 h ALA 103 Ca 0.23 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1x02 h ALA 103 Cb 0.28 0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 1x02 h ALA 103 CO -0.01 -0.69 -0.55 0.93 0.00 0.00 0.00 179.25 178.93 1x02 h GLU 104 N -0.62 -0.46 -0.59 0.00 5.08 -1.87 0.42 114.58 116.54 1x02 h GLU 104 Ca -0.05 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1x02 h GLU 104 Cb 0.45 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1x02 h GLU 104 CO 0.08 -0.31 0.28 1.25 -1.00 0.00 0.00 179.01 179.31 1x02 h LEU 105 N -0.48 0.78 -0.43 1.33 6.46 -1.52 -2.73 115.31 118.72 1x02 h LEU 105 Ca 0.06 -0.14 0.09 0.00 -0.12 0.00 0.00 57.88 57.77 1x02 h LEU 105 Cb 0.63 -0.20 -0.09 0.00 -0.73 0.00 0.00 40.66 40.27 1x02 h LEU 105 CO -0.53 0.70 -0.22 -0.09 -0.62 0.00 0.00 178.44 177.68 1x02 h ARG 106 N 0.81 -0.13 0.54 1.25 2.43 0.55 -0.47 114.38 119.36 1x02 h ARG 106 Ca 0.20 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 1x02 h ARG 106 Cb 0.13 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 1x02 h ARG 106 CO -0.02 -0.09 -0.36 1.25 -1.51 0.00 0.00 179.97 179.24 1x02 h HIS 107 N -0.14 -0.95 -0.69 2.20 2.76 -0.80 0.60 115.15 118.13 1x02 h HIS 107 Ca 0.21 -0.01 0.14 0.00 -2.20 0.00 0.00 60.37 58.50 1x02 h HIS 107 Cb 0.46 0.34 -0.13 0.00 1.55 0.00 0.00 27.41 29.63 1x02 h HIS 107 CO -0.47 -0.54 -0.22 0.28 -1.30 0.00 0.00 177.93 175.68 1x02 h VAL 108 N -0.86 0.25 -0.06 5.26 2.07 -1.12 0.31 116.25 122.09 1x02 h VAL 108 Ca -0.06 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.33 1x02 h VAL 108 Cb 0.71 0.25 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1x02 h VAL 108 CO 0.05 0.00 -0.55 0.24 0.02 0.00 0.00 177.57 177.33 1x02 h MET 109 N -0.04 0.18 -0.25 1.57 2.86 -0.90 -3.19 114.93 115.17 1x02 h MET 109 Ca 0.32 -0.12 0.02 0.00 -2.06 0.00 0.00 59.70 57.86 1x02 h MET 109 Cb 0.53 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 1x02 h MET 109 CO -0.73 0.69 0.12 1.15 1.06 0.00 0.00 176.91 179.20 1x02 h THR 110 N 0.14 0.99 -0.54 2.22 2.02 0.39 -2.74 112.91 115.38 1x02 h THR 110 Ca -0.00 -0.09 0.11 0.00 0.77 0.00 0.00 66.41 67.20 1x02 h THR 110 Cb 1.02 0.71 -0.09 0.00 -1.74 0.00 0.00 68.15 68.04 1x02 h THR 110 CO 0.08 0.05 -0.04 0.78 0.37 0.00 0.00 175.52 176.76 1x02 h ASN 111 N 0.26 -0.32 -0.97 4.18 2.35 -1.06 -2.30 115.58 117.73 1x02 h ASN 111 Ca 0.10 0.14 0.10 0.00 -0.55 0.00 0.00 56.30 56.09 1x02 h ASN 111 Cb 0.03 0.26 -0.12 0.00 0.05 0.00 0.00 38.32 38.55 1x02 h ASN 111 CO -0.07 -0.12 -0.54 0.18 -1.65 0.00 0.00 177.43 175.22 1x02 n LEU 112 N -5.29 -0.97 0.00 1.61 4.77 -1.03 -4.81 117.00 111.27 1x02 n LEU 112 Ca 0.06 1.72 0.00 0.00 -0.03 0.00 0.00 56.01 57.76 1x02 n LEU 112 Cb 0.30 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1x02 n LEU 112 CO 0.12 -1.42 0.00 0.61 -1.33 0.00 0.00 177.39 175.37 1x02 n GLY 113 N -1.27 0.21 1.61 -0.72 0.00 -0.86 -5.00 105.19 99.16 1x02 n GLY 113 Ca 0.03 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.97 1x02 n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x02 n GLU 114 N 0.00 1.38 -0.43 1.61 -0.58 -1.26 -4.95 120.64 116.42 1x02 n GLU 114 Ca 0.00 -0.78 -0.19 0.00 -0.42 0.00 0.00 57.16 55.77 1x02 n GLU 114 Cb 0.00 -1.30 -0.03 0.00 -0.57 0.00 0.00 31.44 29.53 1x02 n GLU 114 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1x02 n LYS 115 N 0.74 0.00 -3.60 3.49 5.02 -1.25 -4.78 118.16 117.78 1x02 n LYS 115 Ca 0.15 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.24 1x02 n LYS 115 Cb 0.59 -0.46 -0.03 0.00 -0.02 0.00 0.00 35.03 35.12 1x02 n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1x02 s LEU 116 N 1.57 3.55 0.23 -0.35 1.43 -1.26 -5.04 118.68 118.80 1x02 s LEU 116 Ca 0.35 -0.57 0.10 0.00 -1.03 0.00 0.00 54.13 52.99 1x02 s LEU 116 Cb -0.46 -2.23 -0.05 0.00 0.03 0.00 0.00 46.19 43.48 1x02 s LEU 116 CO 0.22 -0.53 -0.19 0.42 0.23 0.00 0.00 176.35 176.50 1x02 s THR 117 N -2.37 2.19 0.23 5.49 -4.23 -1.26 -4.94 115.64 110.75 1x02 s THR 117 Ca 0.46 -2.21 0.04 0.00 -1.18 0.00 0.00 61.69 58.80 1x02 s THR 117 Cb -0.05 -2.13 0.29 0.00 1.34 0.00 0.00 72.50 71.94 1x02 s THR 117 CO 0.28 -0.37 1.11 0.47 -0.54 0.00 0.00 174.62 175.57 1x02 n ASP 118 N -0.25 -0.01 0.44 3.99 9.92 -1.26 0.63 116.55 130.01 1x02 n ASP 118 Ca -0.08 1.20 -0.19 0.00 -0.53 0.00 0.00 54.79 55.18 1x02 n ASP 118 Cb 0.59 -0.47 -0.09 0.00 -0.64 0.00 0.00 41.12 40.50 1x02 n ASP 118 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1x02 h GLU 119 N 0.00 -1.09 0.24 -1.24 4.39 -1.99 0.70 114.58 115.59 1x02 h GLU 119 Ca 0.47 0.07 0.01 0.00 0.34 0.00 0.00 59.36 60.25 1x02 h GLU 119 Cb 1.05 0.25 -0.04 0.00 -0.10 0.00 0.00 28.75 29.90 1x02 h GLU 119 CO -0.64 -0.73 -0.50 0.93 -1.16 0.00 0.00 179.01 176.91 1x02 h GLU 120 N -1.13 -0.79 -0.86 2.33 4.39 -0.20 -1.90 114.58 116.43 1x02 h GLU 120 Ca -0.11 0.05 0.16 0.00 0.34 0.00 0.00 59.36 59.81 1x02 h GLU 120 Cb 0.87 0.18 -0.10 0.00 -0.10 0.00 0.00 28.75 29.60 1x02 h GLU 120 CO 0.17 -0.52 0.43 0.28 -1.16 0.00 0.00 179.01 178.20 1x02 h VAL 121 N -0.82 0.67 -0.66 3.13 2.07 -1.15 -0.37 116.25 119.12 1x02 h VAL 121 Ca -0.02 -0.20 0.10 0.00 0.82 0.00 0.00 66.70 67.40 1x02 h VAL 121 Cb 0.78 0.05 -0.07 0.00 -1.52 0.00 0.00 31.29 30.53 1x02 h VAL 121 CO -0.21 0.10 0.28 0.44 0.02 0.00 0.00 177.57 178.20 1x02 h ASP 122 N 0.57 0.32 0.05 0.57 5.19 -0.10 0.12 116.42 123.14 1x02 h ASP 122 Ca 0.49 0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.96 1x02 h ASP 122 Cb 0.75 0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.29 1x02 h ASP 122 CO -0.40 0.18 -0.06 -0.33 -3.12 0.00 0.00 179.24 175.51 1x02 h GLU 123 N 0.48 0.03 0.03 3.56 5.08 -0.39 -2.31 114.58 121.06 1x02 h GLU 123 Ca 0.33 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.61 1x02 h GLU 123 Cb 0.39 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.64 1x02 h GLU 123 CO -0.30 0.09 -0.34 1.98 -1.00 0.00 0.00 179.01 179.44 1x02 h MET 124 N 0.03 0.17 -0.96 2.33 4.05 -0.62 -3.30 114.93 116.63 1x02 h MET 124 Ca 0.01 -0.23 0.15 0.00 -0.28 0.00 0.00 59.70 59.34 1x02 h MET 124 Cb 0.13 0.08 -0.08 0.00 -0.80 0.00 0.00 31.60 30.92 1x02 h MET 124 CO 0.01 1.03 0.61 0.82 0.23 0.00 0.00 176.91 179.60 1x02 h ILE 125 N -0.58 0.83 0.00 1.77 1.08 -0.59 0.54 117.51 120.56 1x02 h ILE 125 Ca -0.05 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 1x02 h ILE 125 Cb 1.17 -0.05 0.00 0.00 -3.07 0.00 0.00 36.82 34.88 1x02 h ILE 125 CO 0.06 0.15 0.00 -2.11 -0.69 0.00 0.00 178.15 175.56 1x02 n ARG 126 N -4.62 0.69 -0.11 2.37 1.85 -0.89 0.39 116.66 116.34 1x02 n ARG 126 Ca 0.19 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.89 1x02 n ARG 126 Cb 0.46 -1.24 -0.10 0.00 -1.05 0.00 0.00 32.46 30.53 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 -0.74 0.56 -0.09 2.89 2.13 0.19 -4.72 120.64 120.85 1x02 n GLU 127 Ca 0.08 0.13 -0.11 0.00 0.66 0.00 0.00 57.16 57.92 1x02 n GLU 127 Cb 0.04 -1.44 -0.11 0.00 0.27 0.00 0.00 31.44 30.19 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 -3.17 1.58 -1.54 4.31 0.00 -1.12 -4.92 120.51 115.66 1x02 n ALA 128 Ca -0.40 -0.96 -0.42 0.00 0.00 0.00 0.00 53.44 51.67 1x02 n ALA 128 Cb 0.92 -0.03 -0.05 0.00 0.00 0.00 0.00 19.45 20.29 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 -2.86 2.43 -0.07 0.00 2.03 0.16 -4.79 116.55 113.44 1x02 n ASP 129 Ca -0.31 -0.02 -0.06 0.00 0.52 0.00 0.00 54.79 54.91 1x02 n ASP 129 Cb 0.95 -1.45 -0.02 0.00 -0.72 0.00 0.00 41.12 39.87 1x02 n ASP 129 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1x02 n ILE 130 N 7.72 1.43 -0.36 5.18 5.41 -1.26 -4.32 119.36 133.16 1x02 n ILE 130 Ca 0.38 0.20 0.27 0.00 1.00 0.00 0.00 62.75 64.60 1x02 n ILE 130 Cb 0.41 -2.37 0.53 0.00 -0.71 0.00 0.00 39.64 37.49 1x02 n ILE 130 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1x02 h ASP 131 N -1.00 0.43 -1.09 4.38 3.32 -1.91 -3.45 116.42 117.10 1x02 h ASP 131 Ca -0.02 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1x02 h ASP 131 Cb 0.61 0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.27 1x02 h ASP 131 CO -0.01 -0.10 0.00 0.61 -1.72 0.00 0.00 179.24 178.02 1x02 n GLY 132 N -1.39 0.55 0.00 2.75 0.00 -1.26 -5.01 105.19 100.82 1x02 n GLY 132 Ca 0.32 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.36 1.22 -0.88 1.61 5.68 -1.26 -4.99 116.55 117.57 1x02 n ASP 133 Ca 0.00 -1.60 -0.07 0.00 -0.50 0.00 0.00 54.79 52.62 1x02 n ASP 133 Cb 0.30 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 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 -0.30 0.15 3.20 6.12 0.00 -1.26 -5.04 105.19 108.06 1x02 n GLY 134 Ca 0.00 -0.57 -0.14 0.00 0.00 0.00 0.00 46.02 45.31 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 -4.50 0.92 -0.46 1.61 -0.21 -1.26 -3.65 119.66 112.10 1x02 s GLN 135 Ca 0.03 -1.27 0.07 0.00 0.02 0.00 0.00 55.36 54.20 1x02 s GLN 135 Cb -0.01 -0.53 0.23 0.00 1.00 0.00 0.00 33.01 33.70 1x02 s GLN 135 CO 0.03 0.07 0.53 0.28 -2.12 0.00 0.00 175.29 174.09 1x02 n VAL 136 N 0.25 -0.04 -0.37 1.09 0.31 0.10 -4.38 118.33 115.29 1x02 n VAL 136 Ca -0.14 -4.20 -0.30 0.00 -0.01 0.00 0.00 64.34 59.70 1x02 n VAL 136 Cb 0.59 -1.95 0.28 0.00 -0.91 0.00 0.00 33.84 31.85 1x02 n VAL 136 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1x02 s ASN 137 N -1.24 -0.60 0.25 4.52 2.20 -1.26 -3.40 114.94 115.42 1x02 s ASN 137 Ca 0.35 1.08 -0.07 0.00 -0.94 0.00 0.00 52.86 53.28 1x02 s ASN 137 Cb 0.13 -1.60 0.45 0.00 -2.00 0.00 0.00 41.25 38.23 1x02 s ASN 137 CO -0.11 -5.11 1.62 0.22 -2.94 0.00 0.00 177.10 170.77 1x02 h TYR 138 N -3.25 -0.16 0.87 1.54 3.20 -1.93 0.30 116.97 117.54 1x02 h TYR 138 Ca -0.50 0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.39 1x02 h TYR 138 Cb 1.34 0.20 0.01 0.00 1.54 0.00 0.00 36.73 39.82 1x02 h TYR 138 CO -2.17 -0.29 -0.42 1.49 -1.64 0.00 0.00 178.16 175.13 1x02 h GLU 139 N 0.06 -1.12 -0.84 1.82 4.81 -1.90 0.38 114.58 117.78 1x02 h GLU 139 Ca 0.43 0.08 0.20 0.00 -0.13 0.00 0.00 59.36 59.94 1x02 h GLU 139 Cb 0.74 0.26 -0.05 0.00 0.63 0.00 0.00 28.75 30.33 1x02 h GLU 139 CO -0.74 -0.75 0.57 0.93 -0.73 0.00 0.00 179.01 178.30 1x02 h GLU 140 N -1.20 0.28 0.05 1.92 5.08 -1.57 -0.14 114.58 119.00 1x02 h GLU 140 Ca -0.12 -0.02 -0.23 0.00 -1.00 0.00 0.00 59.36 57.99 1x02 h GLU 140 Cb 0.90 -0.06 0.02 0.00 0.50 0.00 0.00 28.75 30.11 1x02 h GLU 140 CO 0.20 0.18 -0.94 0.35 -1.00 0.00 0.00 179.01 177.79 1x02 h PHE 141 N 0.28 0.86 -0.05 4.33 3.57 -0.10 -3.25 116.94 122.58 1x02 h PHE 141 Ca 0.43 -0.50 0.02 0.00 3.53 0.00 0.00 57.97 61.45 1x02 h PHE 141 Cb 1.22 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.86 1x02 h PHE 141 CO -0.00 1.34 -0.07 0.28 -2.23 0.00 0.00 178.31 177.63 1x02 h VAL 142 N 0.13 0.80 -0.50 1.41 2.07 0.15 -2.22 116.25 118.09 1x02 h VAL 142 Ca -0.13 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.49 1x02 h VAL 142 Cb 1.64 0.80 -0.10 0.00 -1.52 0.00 0.00 31.29 32.11 1x02 h VAL 142 CO 0.18 0.00 -0.15 1.56 0.02 0.00 0.00 177.57 179.19 1x02 h GLN 143 N -0.10 -0.02 -0.70 1.57 1.08 -1.38 0.25 115.11 115.81 1x02 h GLN 143 Ca 0.05 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.32 1x02 h GLN 143 Cb 0.17 0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.54 1x02 h GLN 143 CO -0.11 -0.02 0.38 1.98 -0.95 0.00 0.00 178.83 180.11 1x02 h MET 144 N -0.03 0.66 -0.48 1.46 4.05 -1.51 -0.99 114.93 118.09 1x02 h MET 144 Ca 0.24 -0.04 -0.07 0.00 -0.28 0.00 0.00 59.70 59.55 1x02 h MET 144 Cb 0.39 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.03 1x02 h MET 144 CO -0.53 0.43 0.04 0.52 0.23 0.00 0.00 176.91 177.60 1x02 h MET 145 N 0.68 0.82 -1.31 0.39 2.86 -0.46 -3.01 114.93 114.89 1x02 h MET 145 Ca 0.33 -0.24 -0.63 0.00 -2.06 0.00 0.00 59.70 57.09 1x02 h MET 145 Cb 0.26 -0.08 -0.26 0.00 0.06 0.00 0.00 31.60 31.58 1x02 h MET 145 CO -0.21 0.85 0.82 0.25 1.06 0.00 0.00 176.91 179.67 1x02 n THR 146 N -4.39 3.48 -3.76 2.22 -2.24 0.70 -4.74 114.28 105.56 1x02 n THR 146 Ca 0.01 -2.97 -0.28 0.00 -2.27 0.00 0.00 64.05 58.54 1x02 n THR 146 Cb 0.28 -1.22 -0.11 0.00 -2.10 0.00 0.00 70.33 67.18 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 -0.56 3.53 1.01 6.98 0.00 -0.44 -4.90 120.51 126.12 1x02 n ALA 147 Ca 0.56 -4.50 0.12 0.00 0.00 0.00 0.00 53.44 49.61 1x02 n ALA 147 Cb 0.57 -0.98 0.11 0.00 0.00 0.00 0.00 19.45 19.14 1x02 n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13