#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xa5 s LEU 4 N 0.00 3.11 0.63 2.61 1.02 -1.26 -5.08 118.68 119.71 1xa5 s LEU 4 Ca 0.00 1.37 -0.11 0.00 0.02 0.00 0.00 54.13 55.40 1xa5 s LEU 4 Cb 0.00 -4.32 -0.03 0.00 0.02 0.00 0.00 46.19 41.86 1xa5 s LEU 4 CO 0.00 -1.10 1.04 0.42 0.02 0.00 0.00 176.35 176.73 1xa5 s THR 5 N -3.21 4.48 0.35 5.49 -4.23 -1.26 -4.98 115.64 112.29 1xa5 s THR 5 Ca 0.56 0.84 0.11 0.00 -1.18 0.00 0.00 61.69 62.02 1xa5 s THR 5 Cb -0.11 -3.71 0.08 0.00 1.34 0.00 0.00 72.50 70.09 1xa5 s THR 5 CO 0.54 -1.02 1.79 -0.33 -0.54 0.00 0.00 174.62 175.06 1xa5 h GLU 6 N -0.34 0.04 -0.74 3.99 5.08 -1.99 -2.01 114.58 118.61 1xa5 h GLU 6 Ca -0.44 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 57.84 1xa5 h GLU 6 Cb 1.20 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.41 1xa5 h GLU 6 CO 0.60 0.43 0.23 1.49 -1.00 0.00 0.00 179.01 180.77 1xa5 h GLU 7 N 0.04 1.15 0.06 2.33 4.57 -1.98 0.29 114.58 121.04 1xa5 h GLU 7 Ca 0.00 -0.25 0.01 0.00 -1.18 0.00 0.00 59.36 57.95 1xa5 h GLU 7 Cb 0.71 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.11 1xa5 h GLU 7 CO 0.05 0.98 -0.12 1.96 -1.18 0.00 0.00 179.01 180.70 1xa5 h GLN 8 N 1.10 -0.23 -0.76 1.92 4.20 -1.85 -0.82 115.11 118.67 1xa5 h GLN 8 Ca 0.24 0.02 0.04 0.00 0.06 0.00 0.00 58.65 59.01 1xa5 h GLN 8 Cb 0.30 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.09 1xa5 h GLN 8 CO -0.01 -0.15 0.47 0.82 -0.67 0.00 0.00 178.83 179.29 1xa5 h ILE 9 N -0.24 1.07 -0.67 2.54 2.04 -0.92 -1.02 117.51 120.32 1xa5 h ILE 9 Ca 0.02 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.58 1xa5 h ILE 9 Cb 0.26 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 1xa5 h ILE 9 CO -0.08 0.16 0.42 0.00 0.00 0.00 0.00 178.15 178.66 1xa5 h ALA 10 N 1.34 0.85 -0.46 1.87 0.00 -0.13 0.14 119.26 122.87 1xa5 h ALA 10 Ca 0.31 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.09 1xa5 h ALA 10 Cb 0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1xa5 h ALA 10 CO -0.13 0.30 -0.02 0.93 0.00 0.00 0.00 179.25 180.33 1xa5 h GLU 11 N 0.91 0.77 -0.48 0.00 5.08 -0.49 0.43 114.58 120.80 1xa5 h GLU 11 Ca 0.24 -0.21 -0.11 0.00 -1.00 0.00 0.00 59.36 58.28 1xa5 h GLU 11 Cb -0.06 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1xa5 h GLU 11 CO -0.05 0.79 -0.13 0.74 -1.00 0.00 0.00 179.01 179.37 1xa5 h PHE 12 N 0.72 1.05 -0.50 4.33 0.04 -0.41 -2.03 116.94 120.13 1xa5 h PHE 12 Ca 0.14 -0.23 -0.08 0.00 2.80 0.00 0.00 57.97 60.60 1xa5 h PHE 12 Cb 0.46 -0.26 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 1xa5 h PHE 12 CO 0.02 1.02 0.01 0.87 -0.60 0.00 0.00 178.31 179.63 1xa5 h LYS 13 N 0.78 0.88 -0.05 1.51 1.57 -0.36 -1.07 116.57 119.83 1xa5 h LYS 13 Ca 0.12 -0.27 0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1xa5 h LYS 13 Cb 0.68 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1xa5 h LYS 13 CO 0.05 0.91 -0.02 1.49 -0.57 0.00 0.00 179.45 181.31 1xa5 h GLU 14 N 0.75 -0.01 -0.32 3.15 4.57 -0.88 0.10 114.58 121.93 1xa5 h GLU 14 Ca 0.14 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.36 1xa5 h GLU 14 Cb 0.50 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.06 1xa5 h GLU 14 CO 0.02 -0.00 0.13 0.00 -1.18 0.00 0.00 179.01 177.98 1xa5 h ALA 15 N 1.04 0.38 -0.46 2.92 0.00 -1.22 -2.12 119.26 119.80 1xa5 h ALA 15 Ca 0.03 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1xa5 h ALA 15 Cb 0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1xa5 h ALA 15 CO -0.05 -0.26 0.26 0.35 0.00 0.00 0.00 179.25 179.55 1xa5 h PHE 16 N 0.28 0.49 -0.47 0.00 3.57 -0.97 -2.45 116.94 117.38 1xa5 h PHE 16 Ca 0.14 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.76 1xa5 h PHE 16 Cb 0.09 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 1xa5 h PHE 16 CO -0.12 0.27 0.33 0.66 -2.23 0.00 0.00 178.31 177.22 1xa5 h SER 17 N 0.52 0.16 -0.19 0.41 4.64 -0.15 0.11 113.55 119.06 1xa5 h SER 17 Ca 0.19 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.47 1xa5 h SER 17 Cb 0.04 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 1xa5 h SER 17 CO -0.10 0.10 0.01 -0.07 -0.87 0.00 0.00 176.83 175.90 1xa5 h LEU 18 N 0.18 0.41 0.03 5.97 3.38 -0.94 -3.21 115.31 121.13 1xa5 h LEU 18 Ca 0.22 -0.07 -0.22 0.00 0.09 0.00 0.00 57.88 57.90 1xa5 h LEU 18 Cb 0.64 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1xa5 h LEU 18 CO -0.04 0.47 -1.19 -0.26 0.09 0.00 0.00 178.44 177.52 1xa5 h PHE 19 N 0.43 0.13 -0.83 1.13 -1.00 -0.96 -3.41 116.94 112.42 1xa5 h PHE 19 Ca 0.10 -0.10 -0.66 0.00 2.81 0.00 0.00 57.97 60.12 1xa5 h PHE 19 Cb 0.27 -0.01 -0.08 0.00 3.61 0.00 0.00 35.95 39.75 1xa5 h PHE 19 CO 0.01 1.47 2.13 0.34 -1.61 0.00 0.00 178.31 180.64 1xa5 s ASP 20 N -6.82 6.71 0.15 2.17 2.15 0.15 -4.66 116.67 116.52 1xa5 s ASP 20 Ca -0.25 -2.39 -0.11 0.00 0.43 0.00 0.00 52.55 50.23 1xa5 s ASP 20 Cb 0.04 -2.58 0.01 0.00 -0.30 0.00 0.00 42.92 40.09 1xa5 s ASP 20 CO 0.66 -1.31 1.57 0.11 -0.17 0.00 0.00 175.17 176.03 1xa5 h LYS 21 N 7.74 0.93 -0.00 4.34 6.56 -1.80 -2.94 116.57 131.39 1xa5 h LYS 21 Ca 0.43 -0.34 0.00 0.00 -1.06 0.00 0.00 60.65 59.68 1xa5 h LYS 21 Cb 0.88 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.48 1xa5 h LYS 21 CO 1.44 1.00 -0.15 -0.40 -2.06 0.00 0.00 179.45 179.28 1xa5 n ASP 22 N -4.23 0.63 -1.18 0.86 5.75 -1.26 -4.94 116.55 112.18 1xa5 n ASP 22 Ca 0.00 -0.66 -0.12 0.00 -0.01 0.00 0.00 54.79 54.01 1xa5 n ASP 22 Cb 0.38 -0.02 -0.02 0.00 -1.03 0.00 0.00 41.12 40.43 1xa5 n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xa5 n GLY 23 N 1.30 0.33 0.66 6.12 0.00 -1.11 -4.89 105.19 107.59 1xa5 n GLY 23 Ca 0.14 -0.43 0.11 0.00 0.00 0.00 0.00 46.02 45.83 1xa5 n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xa5 n ASP 24 N -0.09 1.98 0.00 1.61 5.75 -1.26 -4.93 116.55 119.61 1xa5 n ASP 24 Ca -0.13 -1.75 0.00 0.00 -0.01 0.00 0.00 54.79 52.90 1xa5 n ASP 24 Cb 0.53 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 1xa5 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xa5 n GLY 25 N 1.20 0.75 3.11 6.12 0.00 -1.26 -5.04 105.19 110.07 1xa5 n GLY 25 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 1xa5 n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xa5 s THR 26 N -2.51 0.68 -0.24 2.61 -4.23 -1.26 -4.44 115.64 106.25 1xa5 s THR 26 Ca 0.00 -1.31 -0.07 0.00 -1.18 0.00 0.00 61.69 59.13 1xa5 s THR 26 Cb 0.00 -0.92 -0.03 0.00 1.34 0.00 0.00 72.50 72.89 1xa5 s THR 26 CO 0.00 -0.46 0.07 -0.63 -0.54 0.00 0.00 174.62 173.06 1xa5 s ILE 27 N -1.83 4.36 0.64 2.99 1.01 -0.00 -4.75 121.20 123.62 1xa5 s ILE 27 Ca -0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 60.65 60.43 1xa5 s ILE 27 Cb -0.07 -3.03 0.06 0.00 0.01 0.00 0.00 42.46 39.43 1xa5 s ILE 27 CO -0.00 0.35 0.91 0.42 0.00 0.00 0.00 174.94 176.61 1xa5 s THR 28 N 1.52 2.42 0.21 2.92 -4.23 -1.26 -2.02 115.64 115.19 1xa5 s THR 28 Ca 0.06 -0.50 -0.08 0.00 -1.18 0.00 0.00 61.69 59.99 1xa5 s THR 28 Cb -0.15 -2.93 0.14 0.00 1.34 0.00 0.00 72.50 70.91 1xa5 s THR 28 CO 0.04 0.00 1.76 0.71 -0.54 0.00 0.00 174.62 176.59 1xa5 h THR 29 N -0.31 1.26 -0.38 3.99 1.35 -1.91 0.11 112.91 117.02 1xa5 h THR 29 Ca -0.42 -0.84 0.08 0.00 -0.55 0.00 0.00 66.41 64.67 1xa5 h THR 29 Cb 1.30 0.38 -0.07 0.00 -1.73 0.00 0.00 68.15 68.02 1xa5 h THR 29 CO 0.53 0.34 -0.11 0.50 -0.25 0.00 0.00 175.52 176.52 1xa5 h LYS 30 N 1.11 -0.03 -0.29 4.72 3.64 -1.98 0.46 116.57 124.21 1xa5 h LYS 30 Ca 0.25 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.52 1xa5 h LYS 30 Cb 0.25 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1xa5 h LYS 30 CO -0.02 -0.02 -0.26 0.93 -2.27 0.00 0.00 179.45 177.82 1xa5 h GLU 31 N -0.03 0.68 -0.99 1.90 5.08 -1.79 -2.29 114.58 117.14 1xa5 h GLU 31 Ca 0.18 -0.35 0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1xa5 h GLU 31 Cb 0.31 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.51 1xa5 h GLU 31 CO -0.40 0.96 0.65 1.25 -1.00 0.00 0.00 179.01 180.47 1xa5 h LEU 32 N 0.42 1.11 -0.71 1.33 5.85 -0.51 -2.58 115.31 120.22 1xa5 h LEU 32 Ca 0.05 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 1xa5 h LEU 32 Cb 0.82 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1xa5 h LEU 32 CO 0.07 0.78 0.17 1.23 -0.34 0.00 0.00 178.44 180.34 1xa5 h GLY 33 N 1.30 1.23 1.79 3.75 0.00 0.15 -0.93 103.07 110.35 1xa5 h GLY 33 Ca 0.38 -0.77 -0.13 0.00 0.00 0.00 0.00 47.33 46.80 1xa5 h GLY 33 CO -0.10 0.72 -0.55 -0.91 0.00 0.00 0.00 176.54 175.69 1xa5 h THR 34 N 1.08 1.37 -0.21 4.70 1.35 -1.16 -0.65 112.91 119.38 1xa5 h THR 34 Ca 0.22 -1.86 -0.07 0.00 -0.55 0.00 0.00 66.41 64.15 1xa5 h THR 34 Cb 0.38 1.92 -0.01 0.00 -1.73 0.00 0.00 68.15 68.72 1xa5 h THR 34 CO 0.00 0.55 -0.12 0.58 -0.25 0.00 0.00 175.52 176.28 1xa5 h VAL 35 N 0.17 1.31 -0.53 6.82 2.07 -1.25 -1.67 116.25 123.17 1xa5 h VAL 35 Ca 0.00 -1.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.29 1xa5 h VAL 35 Cb 1.02 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 1xa5 h VAL 35 CO 0.08 0.37 0.25 0.24 0.02 0.00 0.00 177.57 178.54 1xa5 h MET 36 N 0.16 0.77 -0.78 1.57 2.86 -1.01 -2.22 114.93 116.28 1xa5 h MET 36 Ca 0.05 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.55 1xa5 h MET 36 Cb 0.63 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 32.11 1xa5 h MET 36 CO 0.04 0.64 0.41 0.00 1.06 0.00 0.00 176.91 179.05 1xa5 h ARG 37 N 0.71 1.09 0.00 1.72 3.08 -1.14 -0.75 114.38 119.10 1xa5 h ARG 37 Ca 0.18 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1xa5 h ARG 37 Cb 0.12 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 1xa5 h ARG 37 CO -0.02 0.81 -0.03 0.66 -1.07 0.00 0.00 179.97 180.32 1xa5 h SER 38 N 1.10 0.00 -0.34 7.04 4.64 -0.73 -1.05 113.55 124.20 1xa5 h SER 38 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 1xa5 h SER 38 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1xa5 h SER 38 CO -0.04 0.03 0.00 0.18 -0.87 0.00 0.00 176.83 176.13 1xa5 n LEU 39 N -3.37 2.67 0.00 5.97 4.77 -0.35 -4.92 117.00 121.76 1xa5 n LEU 39 Ca -0.02 -1.19 0.00 0.00 -0.03 0.00 0.00 56.01 54.77 1xa5 n LEU 39 Cb 0.15 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1xa5 n LEU 39 CO 0.25 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 1xa5 n GLY 40 N 1.33 0.57 3.94 -0.72 0.00 -0.40 -3.00 105.19 106.91 1xa5 n GLY 40 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 1xa5 n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xa5 s GLN 41 N -0.90 2.62 -0.39 1.61 -0.21 -0.82 -4.91 119.66 116.67 1xa5 s GLN 41 Ca 0.00 -0.34 0.09 0.00 0.02 0.00 0.00 55.36 55.14 1xa5 s GLN 41 Cb 0.00 -2.33 0.29 0.00 1.00 0.00 0.00 33.01 31.96 1xa5 s GLN 41 CO 0.00 -0.81 0.60 -1.71 -2.12 0.00 0.00 175.29 171.25 1xa5 n ASN 42 N -2.56 0.55 -4.77 5.90 5.15 -1.26 -3.81 115.26 114.45 1xa5 n ASN 42 Ca 0.06 -2.83 -0.36 0.00 -0.60 0.00 0.00 54.58 50.85 1xa5 n ASN 42 Cb 0.59 -0.63 -0.00 0.00 -0.53 0.00 0.00 39.78 39.20 1xa5 n ASN 42 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1xa5 s PRO 43 N -1.67 3.48 0.67 1.20 0.04 -1.26 -5.04 135.00 132.41 1xa5 s PRO 43 Ca 0.37 1.65 -0.11 0.00 0.04 0.00 0.00 61.00 62.95 1xa5 s PRO 43 Cb 0.23 -2.12 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 1xa5 s PRO 43 CO -0.10 -0.75 1.07 0.95 0.04 0.00 0.00 177.00 178.21 1xa5 s THR 44 N -1.71 3.98 0.21 1.26 -4.23 -1.26 -4.90 115.64 108.99 1xa5 s THR 44 Ca 0.70 0.64 -0.09 0.00 -1.18 0.00 0.00 61.69 61.76 1xa5 s THR 44 Cb -0.25 -3.63 0.16 0.00 1.34 0.00 0.00 72.50 70.12 1xa5 s THR 44 CO 0.29 -0.84 1.71 -0.08 -0.54 0.00 0.00 174.62 175.16 1xa5 h GLU 45 N -0.52 0.29 -0.65 3.99 4.57 -1.98 -1.03 114.58 119.26 1xa5 h GLU 45 Ca -0.45 -0.02 -0.08 0.00 -1.18 0.00 0.00 59.36 57.64 1xa5 h GLU 45 Cb 1.23 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.73 1xa5 h GLU 45 CO 0.63 0.19 0.09 0.00 -1.18 0.00 0.00 179.01 178.74 1xa5 h ALA 46 N 1.48 0.92 -0.44 2.92 0.00 -1.99 -0.83 119.26 121.33 1xa5 h ALA 46 Ca 0.32 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1xa5 h ALA 46 Cb 0.47 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1xa5 h ALA 46 CO -0.39 0.66 0.23 0.93 0.00 0.00 0.00 179.25 180.69 1xa5 h GLU 47 N 1.01 0.61 -0.75 0.00 5.08 -1.79 -0.94 114.58 117.80 1xa5 h GLU 47 Ca 0.20 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1xa5 h GLU 47 Cb 0.46 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1xa5 h GLU 47 CO 0.02 0.50 0.33 -0.07 -1.00 0.00 0.00 179.01 178.78 1xa5 h LEU 48 N 0.57 1.00 -0.79 1.33 3.38 -0.79 -0.82 115.31 119.19 1xa5 h LEU 48 Ca 0.15 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1xa5 h LEU 48 Cb 0.06 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1xa5 h LEU 48 CO -0.02 0.86 -0.05 -0.61 0.09 0.00 0.00 178.44 178.71 1xa5 h GLN 49 N 1.08 0.86 -0.45 1.13 5.75 -0.85 -1.58 115.11 121.04 1xa5 h GLN 49 Ca 0.26 -0.27 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 1xa5 h GLN 49 Cb 0.15 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.60 1xa5 h GLN 49 CO -0.03 0.89 0.20 -0.44 -2.65 0.00 0.00 178.83 176.80 1xa5 h ASP 50 N 0.78 0.61 -0.58 -0.69 3.32 -0.63 0.13 116.42 119.35 1xa5 h ASP 50 Ca 0.14 -0.15 0.07 0.00 0.02 0.00 0.00 57.03 57.11 1xa5 h ASP 50 Cb 0.55 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.88 1xa5 h ASP 50 CO 0.03 0.59 0.27 0.24 -1.72 0.00 0.00 179.24 178.65 1xa5 h MET 51 N 0.59 0.49 -0.43 3.56 2.86 -0.82 -1.83 114.93 119.35 1xa5 h MET 51 Ca 0.15 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.67 1xa5 h MET 51 Cb 0.15 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 1xa5 h MET 51 CO -0.02 0.33 -0.11 0.82 1.06 0.00 0.00 176.91 178.99 1xa5 h ILE 52 N 0.51 1.27 -0.93 -1.22 2.04 -1.09 -3.14 117.51 114.96 1xa5 h ILE 52 Ca 0.27 -1.22 0.09 0.00 1.00 0.00 0.00 64.86 65.01 1xa5 h ILE 52 Cb 0.24 1.17 -0.07 0.00 -0.74 0.00 0.00 36.82 37.42 1xa5 h ILE 52 CO -0.22 0.41 0.58 0.78 0.00 0.00 0.00 178.15 179.70 1xa5 h ASN 53 N 0.66 0.88 -0.40 1.72 2.35 -0.14 -0.34 115.58 120.31 1xa5 h ASN 53 Ca 0.11 0.03 0.11 0.00 -0.55 0.00 0.00 56.30 56.01 1xa5 h ASN 53 Cb 0.64 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.85 1xa5 h ASN 53 CO 0.04 0.52 0.33 -0.33 -1.65 0.00 0.00 177.43 176.34 1xa5 h GLU 54 N 0.99 0.00 0.00 0.81 5.08 -1.30 -2.48 114.58 117.68 1xa5 h GLU 54 Ca 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 1xa5 h GLU 54 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1xa5 h GLU 54 CO -0.22 0.00 0.00 1.33 -1.00 0.00 0.00 179.01 179.12 1xa5 n VAL 55 N -4.14 0.40 -2.47 3.13 0.24 -0.82 -4.95 118.33 109.73 1xa5 n VAL 55 Ca 0.07 -0.64 -0.39 0.00 -2.04 0.00 0.00 64.34 61.34 1xa5 n VAL 55 Cb 0.51 0.87 -0.03 0.00 -1.47 0.00 0.00 33.84 33.72 1xa5 n VAL 55 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1xa5 s ASP 56 N -0.40 6.24 0.07 -1.34 2.15 -0.20 -4.74 116.67 118.45 1xa5 s ASP 56 Ca 0.00 -1.19 -0.00 0.00 0.43 0.00 0.00 52.55 51.79 1xa5 s ASP 56 Cb 0.00 -2.57 -0.26 0.00 -0.30 0.00 0.00 42.92 39.79 1xa5 s ASP 56 CO 0.00 -1.74 1.12 0.00 -0.17 0.00 0.00 175.17 174.38 1xa5 h ALA 57 N 10.15 0.22 -0.01 3.66 0.00 -1.90 -3.25 119.26 128.13 1xa5 h ALA 57 Ca 0.12 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1xa5 h ALA 57 Cb 1.02 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1xa5 h ALA 57 CO 1.38 1.10 -0.38 -0.40 0.00 0.00 0.00 179.25 180.95 1xa5 n ASP 58 N -3.45 1.38 -1.33 0.00 5.75 -1.26 -4.98 116.55 112.67 1xa5 n ASP 58 Ca -0.08 -1.11 -0.11 0.00 -0.01 0.00 0.00 54.79 53.49 1xa5 n ASP 58 Cb 1.00 0.31 -0.00 0.00 -1.03 0.00 0.00 41.12 41.40 1xa5 n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xa5 n GLY 59 N 1.38 -0.08 0.87 6.12 0.00 -1.23 -4.90 105.19 107.35 1xa5 n GLY 59 Ca 0.10 -0.40 0.11 0.00 0.00 0.00 0.00 46.02 45.83 1xa5 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xa5 n ASN 60 N -0.19 2.60 0.00 1.61 6.94 -1.26 -4.94 115.26 120.02 1xa5 n ASN 60 Ca -0.13 -1.88 0.00 0.00 -0.02 0.00 0.00 54.58 52.56 1xa5 n ASN 60 Cb 0.60 -0.19 0.00 0.00 -2.36 0.00 0.00 39.78 37.82 1xa5 n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1xa5 n GLY 61 N 1.32 1.35 3.36 4.83 0.00 -1.26 -5.01 105.19 109.78 1xa5 n GLY 61 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.01 1xa5 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xa5 s THR 62 N -2.71 0.69 -0.28 2.61 -4.23 -1.26 -4.81 115.64 105.65 1xa5 s THR 62 Ca 0.00 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.40 1xa5 s THR 62 Cb 0.00 -2.65 -0.05 0.00 1.34 0.00 0.00 72.50 71.14 1xa5 s THR 62 CO 0.00 0.00 0.19 -0.63 -0.54 0.00 0.00 174.62 173.64 1xa5 s ILE 63 N -3.60 5.29 0.67 2.99 1.01 -0.86 -4.83 121.20 121.88 1xa5 s ILE 63 Ca 0.37 0.14 0.04 0.00 0.00 0.00 0.00 60.65 61.20 1xa5 s ILE 63 Cb 0.08 -3.53 0.12 0.00 0.01 0.00 0.00 42.46 39.13 1xa5 s ILE 63 CO 0.15 0.24 0.92 1.51 0.00 0.00 0.00 174.94 177.75 1xa5 s ASP 64 N 1.76 4.60 0.11 3.58 1.47 -1.26 -0.82 116.67 126.10 1xa5 s ASP 64 Ca 0.07 -0.63 -0.25 0.00 1.18 0.00 0.00 52.55 52.91 1xa5 s ASP 64 Cb -0.16 0.23 -0.09 0.00 -0.34 0.00 0.00 42.92 42.55 1xa5 s ASP 64 CO 0.11 -1.70 1.67 0.15 0.68 0.00 0.00 175.17 176.08 1xa5 h PHE 65 N -0.26 -0.47 -0.64 2.11 3.57 -1.99 0.57 116.94 119.83 1xa5 h PHE 65 Ca -0.33 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.15 1xa5 h PHE 65 Cb 1.27 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 40.18 1xa5 h PHE 65 CO 0.04 -0.26 0.27 -1.00 -2.23 0.00 0.00 178.31 175.13 1xa5 h PRO 66 N -0.34 0.92 -0.23 6.41 0.13 -1.98 -0.40 132.00 136.51 1xa5 h PRO 66 Ca 0.03 -0.14 -0.09 0.00 -0.87 0.00 0.00 66.00 64.93 1xa5 h PRO 66 Cb 0.36 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.31 1xa5 h PRO 66 CO -0.11 0.74 -0.26 0.93 -0.23 0.00 0.00 178.00 179.07 1xa5 h GLU 67 N 0.91 0.43 -0.45 0.86 5.08 -1.76 -2.22 114.58 117.43 1xa5 h GLU 67 Ca 0.22 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 1xa5 h GLU 67 Cb 0.15 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1xa5 h GLU 67 CO -0.02 0.66 -0.04 0.35 -1.00 0.00 0.00 179.01 178.96 1xa5 h PHE 68 N 0.38 0.82 -0.36 4.33 3.57 0.10 -0.47 116.94 125.30 1xa5 h PHE 68 Ca 0.06 -0.12 -0.09 0.00 3.53 0.00 0.00 57.97 61.34 1xa5 h PHE 68 Cb 0.66 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 1xa5 h PHE 68 CO 0.02 0.78 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.65 1xa5 h LEU 69 N 0.71 0.66 -0.18 0.59 3.38 -0.69 -0.05 115.31 119.73 1xa5 h LEU 69 Ca 0.13 -0.20 -0.20 0.00 0.09 0.00 0.00 57.88 57.70 1xa5 h LEU 69 Cb 0.48 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.06 1xa5 h LEU 69 CO 0.02 0.83 -0.67 0.71 0.09 0.00 0.00 178.44 179.43 1xa5 h THR 70 N 0.60 1.29 -0.99 0.22 1.35 -1.10 -2.08 112.91 112.20 1xa5 h THR 70 Ca 0.10 -1.88 0.08 0.00 -0.55 0.00 0.00 66.41 64.16 1xa5 h THR 70 Cb 0.61 1.94 -0.07 0.00 -1.73 0.00 0.00 68.15 68.89 1xa5 h THR 70 CO 0.04 0.59 0.63 -0.03 -0.25 0.00 0.00 175.52 176.51 1xa5 h MET 71 N 0.49 1.07 -0.59 4.72 1.85 -0.92 -1.68 114.93 119.87 1xa5 h MET 71 Ca -0.03 -0.06 -0.06 0.00 -0.61 0.00 0.00 59.70 58.94 1xa5 h MET 71 Cb 1.29 -0.24 -0.03 0.00 0.43 0.00 0.00 31.60 33.06 1xa5 h MET 71 CO 0.14 0.71 0.14 1.98 -0.40 0.00 0.00 176.91 179.48 1xa5 h MET 72 N 1.10 0.92 0.00 0.39 -1.53 -0.79 -3.03 114.93 111.98 1xa5 h MET 72 Ca 0.45 -0.20 -0.13 0.00 -3.44 0.00 0.00 59.70 56.39 1xa5 h MET 72 Cb 0.28 -0.13 -0.02 0.00 -0.55 0.00 0.00 31.60 31.17 1xa5 h MET 72 CO -0.20 0.82 -0.60 0.00 0.14 0.00 0.00 176.91 177.06 1xa5 h ALA 73 N 1.27 0.69 -1.56 0.39 0.00 -0.65 -3.51 119.26 115.88 1xa5 h ALA 73 Ca 0.19 -0.55 -0.46 0.00 0.00 0.00 0.00 54.91 54.09 1xa5 h ALA 73 Cb 0.32 -0.10 0.09 0.00 0.00 0.00 0.00 17.79 18.10 1xa5 h ALA 73 CO -0.00 0.75 0.14 1.03 0.00 0.00 0.00 179.25 181.17 1xa5 s ARG 74 N -3.09 1.69 0.00 0.00 0.52 -0.70 -5.10 118.95 112.26 1xa5 s ARG 74 Ca 0.02 -0.91 0.00 0.00 -0.52 0.00 0.00 55.73 54.32 1xa5 s ARG 74 Cb 0.09 -2.27 0.00 0.00 0.52 0.00 0.00 34.95 33.29 1xa5 s ARG 74 CO 0.75 -1.47 0.23 1.63 0.02 0.00 0.00 175.30 176.46 1xa5 n LYS 77 N -2.90 0.00 0.10 3.54 4.01 -1.26 -5.10 118.16 116.54 1xa5 n LYS 77 Ca 0.14 -0.22 -0.11 0.00 -0.51 0.00 0.00 58.31 57.61 1xa5 n LYS 77 Cb 0.60 -0.21 -0.07 0.00 -0.51 0.00 0.00 35.03 34.85 1xa5 n LYS 77 CO 0.00 0.00 0.00 0.38 -1.11 0.00 0.00 177.40 176.67 1xa5 h ASP 78 N 0.00 -0.27 -3.33 4.39 -0.00 -2.07 -3.30 116.42 111.84 1xa5 h ASP 78 Ca 0.00 -0.24 -0.57 0.00 -0.00 0.00 0.00 57.03 56.22 1xa5 h ASP 78 Cb 1.01 0.07 -0.06 0.00 -0.00 0.00 0.00 39.33 40.34 1xa5 h ASP 78 CO 0.00 0.23 -0.03 -0.89 -0.00 0.00 0.00 179.24 178.54 1xa5 s THR 79 N -3.58 5.09 0.00 1.15 2.01 -1.26 -3.34 115.64 115.71 1xa5 s THR 79 Ca -0.12 1.19 0.00 0.00 0.31 0.00 0.00 61.69 63.07 1xa5 s THR 79 Cb 0.01 -3.92 0.00 0.00 0.01 0.00 0.00 72.50 68.60 1xa5 s THR 79 CO 0.43 0.31 0.00 0.47 -0.69 0.00 0.00 174.62 175.14 1xa5 n ASP 80 N 3.55 -0.50 -4.01 3.53 10.43 -1.26 -5.12 116.55 123.17 1xa5 n ASP 80 Ca -0.05 0.00 -0.30 0.00 2.57 0.00 0.00 54.79 57.01 1xa5 n ASP 80 Cb 0.51 -0.15 0.21 0.00 1.84 0.00 0.00 41.12 43.53 1xa5 n ASP 80 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 1xa5 s SER 81 N -2.31 1.95 0.14 -2.24 1.04 -1.21 -4.77 113.70 106.31 1xa5 s SER 81 Ca 0.00 0.52 -0.16 0.00 0.48 0.00 0.00 55.95 56.79 1xa5 s SER 81 Cb 0.00 -0.71 0.01 0.00 0.10 0.00 0.00 66.02 65.42 1xa5 s SER 81 CO 0.00 -3.48 1.73 -0.08 0.98 0.00 0.00 173.24 172.39 1xa5 h GLU 82 N -2.14 0.60 -0.53 4.02 4.81 -1.92 -1.72 114.58 117.70 1xa5 h GLU 82 Ca -0.45 -0.08 0.09 0.00 -0.13 0.00 0.00 59.36 58.79 1xa5 h GLU 82 Cb 1.27 -0.11 -0.07 0.00 0.63 0.00 0.00 28.75 30.47 1xa5 h GLU 82 CO 0.38 0.51 0.11 1.49 -0.73 0.00 0.00 179.01 180.77 1xa5 h GLU 83 N 0.54 0.24 -0.30 1.92 4.81 -1.98 -0.40 114.58 119.40 1xa5 h GLU 83 Ca 0.15 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.24 1xa5 h GLU 83 Cb 0.10 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1xa5 h GLU 83 CO -0.02 0.16 -0.30 0.93 -0.73 0.00 0.00 179.01 179.05 1xa5 h GLU 84 N 0.25 0.64 0.06 1.92 5.08 -1.81 -1.99 114.58 118.74 1xa5 h GLU 84 Ca 0.27 -0.28 -0.24 0.00 -1.00 0.00 0.00 59.36 58.11 1xa5 h GLU 84 Cb 0.37 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1xa5 h GLU 84 CO -0.35 0.87 -1.07 0.82 -1.00 0.00 0.00 179.01 178.27 1xa5 h ILE 85 N 0.55 1.49 -0.55 3.13 2.04 -0.93 -1.34 117.51 121.90 1xa5 h ILE 85 Ca 0.07 -2.85 -0.02 0.00 1.00 0.00 0.00 64.86 63.05 1xa5 h ILE 85 Cb 0.79 2.71 -0.02 0.00 -0.74 0.00 0.00 36.82 39.56 1xa5 h ILE 85 CO 0.07 0.83 0.25 0.03 0.00 0.00 0.00 178.15 179.33 1xa5 h ARG 86 N 0.11 0.80 -0.75 2.37 2.47 -1.01 0.19 114.38 118.56 1xa5 h ARG 86 Ca -0.09 -0.13 -0.02 0.00 -1.26 0.00 0.00 59.98 58.48 1xa5 h ARG 86 Cb 1.76 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 29.91 1xa5 h ARG 86 CO 0.17 0.67 0.38 0.93 0.56 0.00 0.00 179.97 182.69 1xa5 h GLU 87 N 0.74 1.06 -0.38 0.04 5.08 -1.30 -1.64 114.58 118.19 1xa5 h GLU 87 Ca 0.19 -0.14 -0.14 0.00 -1.00 0.00 0.00 59.36 58.26 1xa5 h GLU 87 Cb 0.15 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1xa5 h GLU 87 CO -0.02 0.81 -0.31 0.00 -1.00 0.00 0.00 179.01 178.49 1xa5 h ALA 88 N 1.19 0.55 -0.90 3.43 0.00 -0.95 -2.57 119.26 120.01 1xa5 h ALA 88 Ca 0.26 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.78 1xa5 h ALA 88 Cb 0.08 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1xa5 h ALA 88 CO -0.04 0.60 0.59 0.35 0.00 0.00 0.00 179.25 180.75 1xa5 h PHE 89 N 0.69 1.09 -0.50 0.00 3.57 -0.47 -2.11 116.94 119.20 1xa5 h PHE 89 Ca 0.07 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1xa5 h PHE 89 Cb 0.90 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1xa5 h PHE 89 CO 0.06 0.64 0.26 -0.09 -2.23 0.00 0.00 178.31 176.95 1xa5 h ARG 90 N 1.13 0.71 -0.55 1.11 2.43 -1.07 0.11 114.38 118.25 1xa5 h ARG 90 Ca 0.36 -0.09 0.05 0.00 -0.81 0.00 0.00 59.98 59.48 1xa5 h ARG 90 Cb 0.01 -0.13 -0.05 0.00 -0.42 0.00 0.00 29.97 29.38 1xa5 h ARG 90 CO -0.11 0.57 0.29 0.28 -1.51 0.00 0.00 179.97 179.50 1xa5 h VAL 91 N 0.66 0.97 -0.06 0.20 2.07 -1.01 -2.75 116.25 116.32 1xa5 h VAL 91 Ca 0.17 -0.19 -0.19 0.00 0.82 0.00 0.00 66.70 67.31 1xa5 h VAL 91 Cb 0.08 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1xa5 h VAL 91 CO -0.02 0.10 -0.76 -0.26 0.02 0.00 0.00 177.57 176.65 1xa5 h PHE 92 N 0.56 0.53 -1.65 1.57 0.04 -1.04 -3.37 116.94 113.58 1xa5 h PHE 92 Ca 0.24 -0.24 -0.74 0.00 2.80 0.00 0.00 57.97 60.03 1xa5 h PHE 92 Cb 0.13 -0.08 -0.16 0.00 2.20 0.00 0.00 35.95 38.05 1xa5 h PHE 92 CO -0.09 1.00 1.78 -3.47 -0.60 0.00 0.00 178.31 176.94 1xa5 n ASP 93 N -3.82 5.09 0.20 2.17 2.03 0.34 -4.63 116.55 117.93 1xa5 n ASP 93 Ca -0.04 -3.03 0.04 0.00 0.52 0.00 0.00 54.79 52.28 1xa5 n ASP 93 Cb 0.72 -1.54 0.40 0.00 -0.72 0.00 0.00 41.12 39.98 1xa5 n ASP 93 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1xa5 h LYS 94 N 6.47 0.00 -0.03 -0.67 1.57 -1.74 -0.80 116.57 121.37 1xa5 h LYS 94 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1xa5 h LYS 94 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1xa5 h LYS 94 CO 1.46 0.34 0.00 -0.40 -0.57 0.00 0.00 179.45 180.28 1xa5 n ASP 95 N -3.98 2.62 -1.34 0.86 5.75 -1.26 -4.97 116.55 114.24 1xa5 n ASP 95 Ca -0.02 -1.87 -0.14 0.00 -0.01 0.00 0.00 54.79 52.75 1xa5 n ASP 95 Cb 0.40 -0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.45 1xa5 n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xa5 n GLY 96 N 1.31 0.77 0.29 6.12 0.00 -0.31 -4.89 105.19 108.48 1xa5 n GLY 96 Ca 0.15 -0.32 0.12 0.00 0.00 0.00 0.00 46.02 45.98 1xa5 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xa5 n ASN 97 N -0.51 0.88 0.00 1.61 6.94 -1.26 -4.90 115.26 118.01 1xa5 n ASN 97 Ca -0.16 -1.45 0.00 0.00 -0.02 0.00 0.00 54.58 52.96 1xa5 n ASN 97 Cb 0.54 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.93 1xa5 n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1xa5 n GLY 98 N 1.03 0.73 2.87 4.83 0.00 -1.26 -5.04 105.19 108.35 1xa5 n GLY 98 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 1xa5 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xa5 s TYR 99 N -2.36 0.46 -0.34 1.61 1.51 -1.26 -4.37 117.35 112.60 1xa5 s TYR 99 Ca 0.00 -0.08 -0.24 0.00 -1.01 0.00 0.00 57.07 55.75 1xa5 s TYR 99 Cb 0.00 -0.44 0.01 0.00 -0.11 0.00 0.00 41.96 41.41 1xa5 s TYR 99 CO 0.00 -0.12 0.80 0.42 -1.11 0.00 0.00 175.55 175.54 1xa5 s ILE 100 N 0.71 4.75 0.67 2.71 1.01 0.66 -4.81 121.20 126.89 1xa5 s ILE 100 Ca -0.08 1.05 -0.07 0.00 0.00 0.00 0.00 60.65 61.55 1xa5 s ILE 100 Cb -0.11 -4.19 0.04 0.00 0.01 0.00 0.00 42.46 38.21 1xa5 s ILE 100 CO -0.01 -0.36 0.99 -0.94 0.00 0.00 0.00 174.94 174.62 1xa5 s SER 101 N 1.74 5.10 0.22 3.58 1.04 -1.26 -0.69 113.70 123.44 1xa5 s SER 101 Ca 0.32 0.60 -0.08 0.00 0.48 0.00 0.00 55.95 57.27 1xa5 s SER 101 Cb -0.13 -1.36 0.18 0.00 0.10 0.00 0.00 66.02 64.81 1xa5 s SER 101 CO 0.15 -1.42 1.84 0.00 0.98 0.00 0.00 173.24 174.80 1xa5 h ALA 102 N -0.48 1.08 -0.57 5.32 0.00 -1.97 0.07 119.26 122.70 1xa5 h ALA 102 Ca -0.45 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1xa5 h ALA 102 Cb 1.29 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1xa5 h ALA 102 CO 0.61 0.59 0.36 0.00 0.00 0.00 0.00 179.25 180.80 1xa5 h ALA 103 N 1.25 0.73 -0.38 0.00 0.00 -1.98 -1.23 119.26 117.65 1xa5 h ALA 103 Ca 0.30 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 1xa5 h ALA 103 Cb 0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1xa5 h ALA 103 CO -0.05 0.19 -0.12 0.93 0.00 0.00 0.00 179.25 180.20 1xa5 h GLU 104 N 0.78 0.76 0.29 0.00 5.08 -1.77 -1.61 114.58 118.10 1xa5 h GLU 104 Ca 0.21 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1xa5 h GLU 104 Cb -0.05 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1xa5 h GLU 104 CO -0.04 0.92 -0.19 1.25 -1.00 0.00 0.00 179.01 179.95 1xa5 h LEU 105 N 0.56 -0.47 -0.02 1.33 6.46 -0.76 -1.40 115.31 121.01 1xa5 h LEU 105 Ca 0.09 0.03 0.03 0.00 -0.12 0.00 0.00 57.88 57.91 1xa5 h LEU 105 Cb 0.65 0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 40.70 1xa5 h LEU 105 CO 0.04 -0.30 -0.16 0.03 -0.62 0.00 0.00 178.44 177.44 1xa5 h ARG 106 N -0.46 -0.25 -0.16 1.25 3.08 -1.24 -1.28 114.38 115.32 1xa5 h ARG 106 Ca -0.03 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.09 1xa5 h ARG 106 Cb 0.39 0.06 -0.07 0.00 0.08 0.00 0.00 29.97 30.43 1xa5 h ARG 106 CO 0.02 -0.16 -0.36 1.25 -1.07 0.00 0.00 179.97 179.64 1xa5 h HIS 107 N -0.25 -1.02 -0.19 3.04 -0.00 -1.20 -1.33 115.15 114.20 1xa5 h HIS 107 Ca 0.06 0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.45 1xa5 h HIS 107 Cb 0.33 0.47 -0.01 0.00 -0.00 0.00 0.00 27.41 28.20 1xa5 h HIS 107 CO -0.22 -0.43 0.03 0.28 -0.00 0.00 0.00 177.93 177.59 1xa5 h VAL 108 N -0.42 1.22 -0.74 5.26 2.07 -1.07 0.07 116.25 122.65 1xa5 h VAL 108 Ca 0.10 -0.73 0.14 0.00 0.82 0.00 0.00 66.70 67.02 1xa5 h VAL 108 Cb 0.58 1.34 -0.09 0.00 -1.52 0.00 0.00 31.29 31.59 1xa5 h VAL 108 CO -0.39 0.23 0.29 0.24 0.02 0.00 0.00 177.57 177.95 1xa5 h MET 109 N 0.12 0.42 -0.59 1.57 2.86 -1.12 0.14 114.93 118.33 1xa5 h MET 109 Ca 0.06 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 1xa5 h MET 109 Cb 0.31 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 1xa5 h MET 109 CO 0.00 0.28 0.34 1.15 1.06 0.00 0.00 176.91 179.74 1xa5 h THR 110 N 0.43 1.18 -0.73 2.22 2.02 -0.65 0.10 112.91 117.49 1xa5 h THR 110 Ca 0.40 -0.44 0.03 0.00 0.77 0.00 0.00 66.41 67.17 1xa5 h THR 110 Cb 0.60 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 1xa5 h THR 110 CO -0.40 0.20 0.48 0.78 0.37 0.00 0.00 175.52 176.95 1xa5 h ASN 111 N 0.80 0.76 1.58 4.18 4.21 0.88 -2.10 115.58 125.89 1xa5 h ASN 111 Ca 0.21 -0.01 -0.03 0.00 1.21 0.00 0.00 56.30 57.68 1xa5 h ASN 111 Cb 0.02 -0.18 -0.00 0.00 -1.12 0.00 0.00 38.32 37.04 1xa5 h ASN 111 CO -0.04 0.53 -0.14 -0.07 -1.29 0.00 0.00 177.43 176.42 1xa5 h LEU 112 N 0.89 0.00 0.00 1.61 3.38 -0.17 -3.47 115.31 117.56 1xa5 h LEU 112 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1xa5 h LEU 112 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1xa5 h LEU 112 CO -0.08 0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.20 1xa5 n GLY 113 N 0.82 1.04 3.73 0.83 0.00 -0.62 -4.93 105.19 106.07 1xa5 n GLY 113 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1xa5 n GLY 113 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xa5 s GLU 114 N 0.00 4.45 -0.31 1.61 2.56 0.25 -4.95 118.70 122.32 1xa5 s GLU 114 Ca 0.00 0.97 -0.06 0.00 0.00 0.00 0.00 54.97 55.89 1xa5 s GLU 114 Cb 0.00 -3.40 0.03 0.00 2.00 0.00 0.00 34.13 32.76 1xa5 s GLU 114 CO 0.00 0.19 0.07 -1.59 -0.56 0.00 0.00 175.26 173.37 1xa5 s LYS 115 N 0.31 2.78 -0.10 4.30 -2.85 -1.26 -2.26 119.74 120.66 1xa5 s LYS 115 Ca 0.38 -1.06 -0.02 0.00 -1.00 0.00 0.00 55.97 54.27 1xa5 s LYS 115 Cb -0.19 -3.35 -0.03 0.00 -2.06 0.00 0.00 37.83 32.20 1xa5 s LYS 115 CO 0.21 -0.56 -0.01 -0.51 0.10 0.00 0.00 175.35 174.58 1xa5 s LEU 116 N 1.41 3.51 0.81 2.77 1.43 -1.26 -5.10 118.68 122.26 1xa5 s LEU 116 Ca -0.00 0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 53.07 1xa5 s LEU 116 Cb -0.18 -1.81 0.08 0.00 0.03 0.00 0.00 46.19 44.31 1xa5 s LEU 116 CO 0.01 0.33 1.09 0.42 0.23 0.00 0.00 176.35 178.44 1xa5 s THR 117 N -0.61 3.11 0.25 5.49 -4.23 -1.26 -4.87 115.64 113.53 1xa5 s THR 117 Ca 0.10 0.36 -0.04 0.00 -1.18 0.00 0.00 61.69 60.93 1xa5 s THR 117 Cb -0.12 -2.89 0.23 0.00 1.34 0.00 0.00 72.50 71.07 1xa5 s THR 117 CO 0.02 -0.47 1.85 0.44 -0.54 0.00 0.00 174.62 175.92 1xa5 h ASP 118 N -1.25 0.88 -0.77 3.99 3.32 -1.99 -1.65 116.42 118.96 1xa5 h ASP 118 Ca -0.46 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.61 1xa5 h ASP 118 Cb 1.25 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.60 1xa5 h ASP 118 CO 0.54 0.55 0.48 -0.33 -1.72 0.00 0.00 179.24 178.75 1xa5 h GLU 119 N 1.01 1.03 -0.33 3.56 3.07 -1.98 0.15 114.58 121.09 1xa5 h GLU 119 Ca 0.40 -0.09 -0.06 0.00 -0.50 0.00 0.00 59.36 59.11 1xa5 h GLU 119 Cb 0.21 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 1xa5 h GLU 119 CO -0.19 0.72 -0.03 0.93 -1.40 0.00 0.00 179.01 179.04 1xa5 h GLU 120 N 1.05 0.61 -0.05 2.33 5.08 -1.77 0.18 114.58 122.01 1xa5 h GLU 120 Ca 0.28 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1xa5 h GLU 120 Cb -0.06 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 1xa5 h GLU 120 CO -0.05 0.76 0.03 0.28 -1.00 0.00 0.00 179.01 179.02 1xa5 h VAL 121 N 0.41 1.07 -0.20 3.13 2.07 -1.13 0.91 116.25 122.51 1xa5 h VAL 121 Ca 0.09 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.46 1xa5 h VAL 121 Cb 0.50 1.12 -0.07 0.00 -1.52 0.00 0.00 31.29 31.32 1xa5 h VAL 121 CO 0.02 0.06 -0.43 0.44 0.02 0.00 0.00 177.57 177.68 1xa5 h ASP 122 N -0.00 -1.37 -0.37 0.57 3.32 -0.51 -1.01 116.42 117.05 1xa5 h ASP 122 Ca 0.02 0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 1xa5 h ASP 122 Cb 0.07 0.57 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 1xa5 h ASP 122 CO -0.00 -0.42 0.21 -0.33 -1.72 0.00 0.00 179.24 176.99 1xa5 h GLU 123 N -0.46 0.50 -0.35 3.56 3.07 -0.47 -0.07 114.58 120.37 1xa5 h GLU 123 Ca 0.09 -0.05 0.08 0.00 -0.50 0.00 0.00 59.36 58.97 1xa5 h GLU 123 Cb 0.62 -0.10 -0.08 0.00 -0.84 0.00 0.00 28.75 28.35 1xa5 h GLU 123 CO -0.44 0.39 -0.20 1.98 -1.40 0.00 0.00 179.01 179.34 1xa5 h MET 124 N 0.47 -0.15 -0.01 2.33 -1.53 -0.55 0.88 114.93 116.37 1xa5 h MET 124 Ca 0.13 0.01 0.01 0.00 -3.44 0.00 0.00 59.70 56.42 1xa5 h MET 124 Cb 0.03 0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 31.09 1xa5 h MET 124 CO -0.02 -0.10 -0.07 0.82 0.14 0.00 0.00 176.91 177.68 1xa5 h ILE 125 N -0.15 0.80 -0.92 1.77 1.08 -0.67 -2.33 117.51 117.10 1xa5 h ILE 125 Ca 0.18 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.65 1xa5 h ILE 125 Cb 0.42 0.80 -0.05 0.00 -3.07 0.00 0.00 36.82 34.93 1xa5 h ILE 125 CO -0.44 0.00 0.60 0.03 -0.69 0.00 0.00 178.15 177.64 1xa5 h ARG 126 N -0.13 1.22 0.00 2.37 2.47 -0.32 0.17 114.38 120.15 1xa5 h ARG 126 Ca 0.03 -0.08 -0.03 0.00 -1.26 0.00 0.00 59.98 58.64 1xa5 h ARG 126 Cb 0.17 -0.27 -0.00 0.00 -1.65 0.00 0.00 29.97 28.21 1xa5 h ARG 126 CO -0.08 0.82 -0.17 0.93 0.56 0.00 0.00 179.97 182.03 1xa5 h GLU 127 N 1.25 0.00 0.00 0.04 5.08 -0.76 -3.04 114.58 117.15 1xa5 h GLU 127 Ca 0.33 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.54 1xa5 h GLU 127 Cb -0.12 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 1xa5 h GLU 127 CO -0.07 0.17 -1.51 0.00 -1.00 0.00 0.00 179.01 176.60 1xa5 n ALA 128 N -2.20 2.02 -2.65 3.43 0.00 -0.56 -4.85 120.51 115.71 1xa5 n ALA 128 Ca 0.00 -0.58 -0.42 0.00 0.00 0.00 0.00 53.44 52.45 1xa5 n ALA 128 Cb 0.39 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 1xa5 n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xa5 s ASP 129 N -5.61 6.43 0.04 0.00 2.15 0.48 -4.83 116.67 115.32 1xa5 s ASP 129 Ca -0.04 -1.31 -0.21 0.00 0.43 0.00 0.00 52.55 51.42 1xa5 s ASP 129 Cb 0.09 -2.52 -0.14 0.00 -0.30 0.00 0.00 42.92 40.05 1xa5 s ASP 129 CO 0.82 -1.49 1.38 0.40 -0.17 0.00 0.00 175.17 176.11 1xa5 h ILE 130 N 6.40 1.32 -0.02 4.11 5.03 -1.88 -3.32 117.51 129.16 1xa5 h ILE 130 Ca 0.05 -1.16 0.00 0.00 -0.12 0.00 0.00 64.86 63.64 1xa5 h ILE 130 Cb 1.03 1.79 0.00 0.00 -3.03 0.00 0.00 36.82 36.60 1xa5 h ILE 130 CO 1.32 0.34 -0.26 -0.90 -0.68 0.00 0.00 178.15 177.97 1xa5 n ASP 131 N -4.64 1.82 -0.01 1.72 5.68 -1.26 -4.98 116.55 114.89 1xa5 n ASP 131 Ca -0.06 -1.41 0.00 0.00 -0.50 0.00 0.00 54.79 52.82 1xa5 n ASP 131 Cb 0.31 0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 1xa5 n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xa5 n GLY 132 N 1.35 0.42 0.93 6.12 0.00 -1.25 -4.93 105.19 107.82 1xa5 n GLY 132 Ca 0.12 -0.87 0.11 0.00 0.00 0.00 0.00 46.02 45.39 1xa5 n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xa5 n ASP 133 N 1.95 2.79 0.00 1.61 5.75 -1.26 -4.93 116.55 122.46 1xa5 n ASP 133 Ca 0.00 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 1xa5 n ASP 133 Cb 0.49 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 1xa5 n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xa5 n GLY 134 N 1.36 0.54 3.34 6.12 0.00 -1.26 -5.00 105.19 110.29 1xa5 n GLY 134 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 1xa5 n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xa5 s GLN 135 N -0.24 1.32 -0.35 1.61 -0.21 -1.26 -4.52 119.66 116.01 1xa5 s GLN 135 Ca 0.00 -1.61 -0.04 0.00 0.02 0.00 0.00 55.36 53.73 1xa5 s GLN 135 Cb 0.00 -1.00 0.06 0.00 1.00 0.00 0.00 33.01 33.07 1xa5 s GLN 135 CO 0.00 0.12 0.10 0.08 -2.12 0.00 0.00 175.29 173.47 1xa5 s VAL 136 N -3.07 3.46 0.96 1.09 1.01 0.14 -4.75 120.40 119.23 1xa5 s VAL 136 Ca 0.23 -1.41 -0.16 0.00 0.00 0.00 0.00 61.98 60.65 1xa5 s VAL 136 Cb 0.01 -3.06 0.20 0.00 0.00 0.00 0.00 36.38 33.54 1xa5 s VAL 136 CO 0.07 -0.28 1.32 0.54 0.00 0.00 0.00 175.10 176.75 1xa5 s ASN 137 N 1.50 3.09 0.10 3.32 2.20 -1.26 -0.25 114.94 123.64 1xa5 s ASN 137 Ca -0.01 0.21 -0.22 0.00 -0.94 0.00 0.00 52.86 51.90 1xa5 s ASN 137 Cb -0.20 -0.24 -0.11 0.00 -2.00 0.00 0.00 41.25 38.70 1xa5 s ASN 137 CO 0.00 -2.74 1.75 0.22 -2.94 0.00 0.00 177.10 173.38 1xa5 h TYR 138 N -1.63 0.07 -0.58 1.54 3.20 -2.00 0.17 116.97 117.75 1xa5 h TYR 138 Ca -0.44 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.40 1xa5 h TYR 138 Cb 1.23 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.45 1xa5 h TYR 138 CO -1.20 0.04 0.22 0.93 -1.64 0.00 0.00 178.16 176.52 1xa5 h GLU 139 N 0.08 0.84 -0.59 1.82 4.39 -1.97 0.42 114.58 119.56 1xa5 h GLU 139 Ca 0.03 -0.13 -0.09 0.00 0.34 0.00 0.00 59.36 59.51 1xa5 h GLU 139 Cb 0.01 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 1xa5 h GLU 139 CO -0.02 0.69 0.00 0.93 -1.16 0.00 0.00 179.01 179.45 1xa5 h GLU 140 N 0.82 1.03 -0.53 2.33 5.08 -1.79 -2.76 114.58 118.76 1xa5 h GLU 140 Ca 0.20 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1xa5 h GLU 140 Cb 0.17 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1xa5 h GLU 140 CO -0.02 1.00 0.25 0.35 -1.00 0.00 0.00 179.01 179.60 1xa5 h PHE 141 N 0.94 0.77 -0.29 4.33 3.57 0.62 -1.17 116.94 125.71 1xa5 h PHE 141 Ca 0.17 -0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.69 1xa5 h PHE 141 Cb 0.54 -0.24 -0.06 0.00 2.79 0.00 0.00 35.95 38.98 1xa5 h PHE 141 CO 0.04 0.60 -0.12 0.28 -2.23 0.00 0.00 178.31 176.87 1xa5 h VAL 142 N 0.71 0.60 -0.62 1.41 2.07 -0.88 -0.13 116.25 119.41 1xa5 h VAL 142 Ca 0.18 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.65 1xa5 h VAL 142 Cb 0.12 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1xa5 h VAL 142 CO -0.02 0.00 0.19 1.56 0.02 0.00 0.00 177.57 179.32 1xa5 h GLN 143 N -0.08 0.93 -0.27 1.57 1.08 -1.19 -1.19 115.11 115.96 1xa5 h GLN 143 Ca 0.15 -0.18 -0.08 0.00 -1.45 0.00 0.00 58.65 57.08 1xa5 h GLN 143 Cb 0.30 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 1xa5 h GLN 143 CO -0.34 0.80 -0.19 1.98 -0.95 0.00 0.00 178.83 180.13 1xa5 h MET 144 N 0.90 0.49 0.00 1.46 4.05 -0.50 -0.10 114.93 121.24 1xa5 h MET 144 Ca 0.20 -0.16 -0.08 0.00 -0.28 0.00 0.00 59.70 59.38 1xa5 h MET 144 Cb 0.26 -0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 31.01 1xa5 h MET 144 CO -0.01 0.66 -1.01 0.52 0.23 0.00 0.00 176.91 177.30 1xa5 h MET 145 N 0.44 0.00 -0.42 0.39 2.86 -0.68 -3.31 114.93 114.21 1xa5 h MET 145 Ca 0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1xa5 h MET 145 Cb 0.59 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.25 1xa5 h MET 145 CO 0.04 0.17 0.00 0.25 1.06 0.00 0.00 176.91 178.43 1xa5 n THR 146 N -2.86 1.09 -0.87 2.22 -2.24 -0.48 -5.02 114.28 106.12 1xa5 n THR 146 Ca -0.03 -1.05 -0.32 0.00 -2.27 0.00 0.00 64.05 60.38 1xa5 n THR 146 Cb 0.68 0.45 0.15 0.00 -2.10 0.00 0.00 70.33 69.51 1xa5 n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xa5 s ALA 147 N -1.12 1.63 0.00 6.98 0.00 -0.06 -5.01 121.76 124.18 1xa5 s ALA 147 Ca 0.30 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.93 1xa5 s ALA 147 Cb 0.16 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1xa5 s ALA 147 CO 0.19 -2.56 0.00 1.63 0.00 0.00 0.00 175.76 175.02