#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1up5 s ASP 2 N 0.00 4.71 0.21 0.00 -0.00 -1.26 -4.91 116.67 115.42 1up5 s ASP 2 Ca 0.00 1.88 -0.01 0.00 -0.00 0.00 0.00 52.55 54.42 1up5 s ASP 2 Cb 0.00 -2.53 0.18 0.00 -0.00 0.00 0.00 42.92 40.57 1up5 s ASP 2 CO 0.00 -1.90 1.54 1.56 -0.00 0.00 0.00 175.17 176.37 1up5 h GLN 3 N -0.74 0.48 -5.66 8.23 4.20 -2.03 -3.43 115.11 116.16 1up5 h GLN 3 Ca -0.45 -0.29 -0.51 0.00 0.06 0.00 0.00 58.65 57.47 1up5 h GLN 3 Cb 1.24 0.03 -0.14 0.00 0.30 0.00 0.00 27.48 28.90 1up5 h GLN 3 CO 0.52 0.89 -0.71 -0.51 -0.67 0.00 0.00 178.83 178.35 1up5 s LEU 4 N -8.30 2.54 0.51 1.46 1.43 -1.26 -5.00 118.68 110.07 1up5 s LEU 4 Ca -0.07 -1.11 -0.10 0.00 -1.03 0.00 0.00 54.13 51.83 1up5 s LEU 4 Cb 0.12 -0.74 -0.05 0.00 0.03 0.00 0.00 46.19 45.54 1up5 s LEU 4 CO 0.83 -0.22 0.88 -0.89 0.23 0.00 0.00 176.35 177.18 1up5 s THR 5 N -2.90 4.77 0.26 5.49 2.01 -1.26 -4.93 115.64 119.09 1up5 s THR 5 Ca 0.28 0.63 -0.02 0.00 0.31 0.00 0.00 61.69 62.89 1up5 s THR 5 Cb 0.01 -3.82 0.10 0.00 0.01 0.00 0.00 72.50 68.80 1up5 s THR 5 CO 0.11 -0.85 1.74 -0.33 -0.69 0.00 0.00 174.62 174.60 1up5 h GLU 6 N 0.37 0.74 -0.40 4.92 5.08 -1.99 -1.39 114.58 121.90 1up5 h GLU 6 Ca -0.46 -0.22 0.02 0.00 -1.00 0.00 0.00 59.36 57.70 1up5 h GLU 6 Cb 1.19 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.34 1up5 h GLU 6 CO 0.62 0.80 0.22 1.49 -1.00 0.00 0.00 179.01 181.14 1up5 h GLU 7 N 0.68 0.44 -0.86 2.33 4.81 -2.00 -1.86 114.58 118.12 1up5 h GLU 7 Ca 0.12 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1up5 h GLU 7 Cb 0.52 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 1up5 h GLU 7 CO 0.03 0.29 0.57 1.96 -0.73 0.00 0.00 179.01 181.12 1up5 h GLN 8 N 0.45 1.12 -0.16 1.92 4.20 -1.86 -2.46 115.11 118.32 1up5 h GLN 8 Ca 0.16 -0.07 -0.18 0.00 0.06 0.00 0.00 58.65 58.63 1up5 h GLN 8 Cb 0.04 -0.25 -0.00 0.00 0.30 0.00 0.00 27.48 27.56 1up5 h GLN 8 CO -0.09 0.74 -0.63 -0.84 -0.67 0.00 0.00 178.83 177.34 1up5 h ILE 9 N 1.16 1.33 -0.11 2.54 -0.00 -0.83 -1.50 117.51 120.09 1up5 h ILE 9 Ca 0.32 -1.91 -0.10 0.00 -0.00 0.00 0.00 64.86 63.17 1up5 h ILE 9 Cb -0.13 1.88 -0.01 0.00 -0.00 0.00 0.00 36.82 38.56 1up5 h ILE 9 CO -0.07 0.59 -0.36 0.00 -0.00 0.00 0.00 178.15 178.31 1up5 h ALA 10 N 0.87 1.18 -0.31 0.16 0.00 -1.26 0.18 119.26 120.08 1up5 h ALA 10 Ca -0.01 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1up5 h ALA 10 Cb 1.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1up5 h ALA 10 CO 0.12 0.55 0.13 0.93 0.00 0.00 0.00 179.25 180.98 1up5 h GLU 11 N 0.20 0.46 -0.16 0.00 5.08 -1.21 -2.59 114.58 116.36 1up5 h GLU 11 Ca 0.02 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 1up5 h GLU 11 Cb 0.73 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1up5 h GLU 11 CO 0.06 0.46 -0.22 0.74 -1.00 0.00 0.00 179.01 179.04 1up5 h PHE 12 N 0.36 0.30 -0.65 4.33 0.04 -0.17 -1.63 116.94 119.51 1up5 h PHE 12 Ca 0.11 -0.05 -0.07 0.00 2.80 0.00 0.00 57.97 60.76 1up5 h PHE 12 Cb 0.16 -0.08 -0.03 0.00 2.20 0.00 0.00 35.95 38.21 1up5 h PHE 12 CO -0.01 0.48 0.14 0.87 -0.60 0.00 0.00 178.31 179.19 1up5 h LYS 13 N 0.25 1.06 -0.18 1.51 1.57 -0.68 0.10 116.57 120.21 1up5 h LYS 13 Ca 0.04 -0.27 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 1up5 h LYS 13 Cb 0.54 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1up5 h LYS 13 CO 0.04 0.96 0.06 0.93 -0.57 0.00 0.00 179.45 180.87 1up5 h GLU 14 N 0.98 0.28 -0.33 3.15 5.08 -1.10 -1.41 114.58 121.23 1up5 h GLU 14 Ca 0.20 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1up5 h GLU 14 Cb 0.40 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1up5 h GLU 14 CO 0.01 0.39 0.21 0.00 -1.00 0.00 0.00 179.01 178.61 1up5 h ALA 15 N 0.88 0.43 -0.86 3.43 0.00 -1.23 -2.67 119.26 119.23 1up5 h ALA 15 Ca 0.06 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.04 1up5 h ALA 15 Cb 0.23 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 1up5 h ALA 15 CO -0.00 -0.08 0.48 0.35 0.00 0.00 0.00 179.25 180.00 1up5 h PHE 16 N 0.44 0.87 0.00 0.00 3.57 -0.62 -1.02 116.94 120.17 1up5 h PHE 16 Ca 0.12 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.62 1up5 h PHE 16 Cb -0.00 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.47 1up5 h PHE 16 CO -0.04 0.31 -0.13 0.77 -2.23 0.00 0.00 178.31 176.98 1up5 h SER 17 N 0.76 0.00 -0.16 0.41 0.02 -0.92 -1.01 113.55 112.65 1up5 h SER 17 Ca 0.43 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 61.25 1up5 h SER 17 Cb 0.48 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 1up5 h SER 17 CO -0.29 0.13 -0.38 0.25 -1.14 0.00 0.00 176.83 175.40 1up5 h LEU 18 N 0.00 0.72 -0.05 5.07 5.85 -0.97 -3.21 115.31 122.72 1up5 h LEU 18 Ca -0.00 -0.32 -0.22 0.00 0.84 0.00 0.00 57.88 58.18 1up5 h LEU 18 Cb 0.28 -0.20 0.02 0.00 0.37 0.00 0.00 40.66 41.12 1up5 h LEU 18 CO 0.02 1.03 -0.84 -0.26 -0.34 0.00 0.00 178.44 178.05 1up5 h PHE 19 N 0.56 0.93 -0.49 1.25 0.04 -1.20 -3.40 116.94 114.64 1up5 h PHE 19 Ca 0.05 -0.47 -0.66 0.00 2.80 0.00 0.00 57.97 59.69 1up5 h PHE 19 Cb 0.91 -0.12 -0.06 0.00 2.20 0.00 0.00 35.95 38.88 1up5 h PHE 19 CO 0.04 1.30 2.44 -3.47 -0.60 0.00 0.00 178.31 178.02 1up5 n ASP 20 N -3.99 4.29 -0.29 2.17 2.03 -0.44 -4.62 116.55 115.70 1up5 n ASP 20 Ca -0.10 -2.86 -0.01 0.00 0.52 0.00 0.00 54.79 52.34 1up5 n ASP 20 Cb 0.78 -1.68 0.17 0.00 -0.72 0.00 0.00 41.12 39.67 1up5 n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1up5 h LYS 21 N 7.23 1.14 -0.26 -0.67 1.79 -1.78 -2.26 116.57 121.76 1up5 h LYS 21 Ca 0.47 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.85 1up5 h LYS 21 Cb 0.79 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 1up5 h LYS 21 CO 1.62 0.78 0.00 -0.40 -1.08 0.00 0.00 179.45 180.37 1up5 n ASP 22 N -4.38 2.50 -1.50 0.86 5.75 -1.26 -4.99 116.55 113.53 1up5 n ASP 22 Ca 0.09 -1.85 -0.15 0.00 -0.01 0.00 0.00 54.79 52.87 1up5 n ASP 22 Cb 0.05 -0.17 -0.03 0.00 -1.03 0.00 0.00 41.12 39.94 1up5 n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1up5 n GLY 23 N 1.30 0.56 0.48 6.12 0.00 -0.85 -4.92 105.19 107.88 1up5 n GLY 23 Ca 0.17 -0.26 0.13 0.00 0.00 0.00 0.00 46.02 46.06 1up5 n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1up5 n ASP 24 N -0.74 1.49 0.00 1.61 5.75 -1.26 -4.91 116.55 118.49 1up5 n ASP 24 Ca -0.17 -1.53 0.00 0.00 -0.01 0.00 0.00 54.79 53.08 1up5 n ASP 24 Cb 0.58 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 1up5 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1up5 n GLY 25 N 1.16 0.72 3.05 6.12 0.00 -1.26 -5.05 105.19 109.92 1up5 n GLY 25 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 1up5 n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1up5 s THR 26 N -2.32 0.39 -0.16 2.61 -4.23 -1.26 -4.15 115.64 106.52 1up5 s THR 26 Ca 0.00 -1.15 -0.03 0.00 -1.18 0.00 0.00 61.69 59.33 1up5 s THR 26 Cb 0.00 -0.65 -0.02 0.00 1.34 0.00 0.00 72.50 73.17 1up5 s THR 26 CO 0.00 -0.50 -0.06 -0.63 -0.54 0.00 0.00 174.62 172.89 1up5 s ILE 27 N -1.77 3.61 0.41 2.99 1.01 0.66 -4.71 121.20 123.39 1up5 s ILE 27 Ca -0.09 -0.45 0.06 0.00 0.00 0.00 0.00 60.65 60.17 1up5 s ILE 27 Cb -0.07 -2.58 0.01 0.00 0.01 0.00 0.00 42.46 39.83 1up5 s ILE 27 CO -0.01 0.49 0.56 0.42 0.00 0.00 0.00 174.94 176.40 1up5 s THR 28 N 0.54 3.37 0.22 2.92 -4.23 -1.26 -0.82 115.64 116.38 1up5 s THR 28 Ca -0.04 -0.94 -0.07 0.00 -1.18 0.00 0.00 61.69 59.46 1up5 s THR 28 Cb -0.15 -3.16 0.17 0.00 1.34 0.00 0.00 72.50 70.71 1up5 s THR 28 CO 0.03 -0.07 1.81 0.71 -0.54 0.00 0.00 174.62 176.56 1up5 h THR 29 N 0.65 0.94 0.13 3.99 1.35 -1.91 -0.67 112.91 117.40 1up5 h THR 29 Ca -0.42 -0.25 0.02 0.00 -0.55 0.00 0.00 66.41 65.20 1up5 h THR 29 Cb 1.27 0.15 -0.03 0.00 -1.73 0.00 0.00 68.15 67.82 1up5 h THR 29 CO 0.49 0.13 -0.25 0.11 -0.25 0.00 0.00 175.52 175.76 1up5 h LYS 30 N 0.72 -0.44 -0.47 4.72 1.57 -1.97 -1.05 116.57 119.65 1up5 h LYS 30 Ca 0.34 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 59.17 1up5 h LYS 30 Cb 0.26 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 1up5 h LYS 30 CO -0.21 -0.29 0.28 0.93 -0.57 0.00 0.00 179.45 179.58 1up5 h GLU 31 N -0.46 0.55 -0.78 3.15 5.08 -1.79 -1.67 114.58 118.67 1up5 h GLU 31 Ca 0.02 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 1up5 h GLU 31 Cb 0.47 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 1up5 h GLU 31 CO -0.13 0.36 0.51 1.25 -1.00 0.00 0.00 179.01 180.01 1up5 h LEU 32 N 0.57 0.78 -0.74 1.33 5.85 -0.81 -2.47 115.31 119.82 1up5 h LEU 32 Ca 0.18 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 1up5 h LEU 32 Cb -0.00 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 1up5 h LEU 32 CO -0.08 0.52 0.14 1.23 -0.34 0.00 0.00 178.44 179.92 1up5 h GLY 33 N 0.90 1.18 0.92 3.75 0.00 -0.36 -0.03 103.07 109.42 1up5 h GLY 33 Ca 0.32 -0.75 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 1up5 h GLY 33 CO -0.10 0.70 0.08 -0.84 0.00 0.00 0.00 176.54 176.38 1up5 h THR 34 N 1.04 1.23 -0.30 4.70 2.02 -0.89 -0.45 112.91 120.25 1up5 h THR 34 Ca 0.21 -0.77 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 1up5 h THR 34 Cb 0.40 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1up5 h THR 34 CO 0.01 0.26 0.10 0.58 0.37 0.00 0.00 175.52 176.84 1up5 h VAL 35 N 0.42 1.20 -0.90 3.16 2.07 -1.13 -1.60 116.25 119.46 1up5 h VAL 35 Ca 0.11 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1up5 h VAL 35 Cb 0.31 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 1up5 h VAL 35 CO 0.00 0.22 0.53 0.24 0.02 0.00 0.00 177.57 178.58 1up5 h MET 36 N 0.33 1.23 -0.59 1.57 2.86 -0.63 -2.17 114.93 117.54 1up5 h MET 36 Ca 0.10 -0.12 -0.09 0.00 -2.06 0.00 0.00 59.70 57.53 1up5 h MET 36 Cb 0.24 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 1up5 h MET 36 CO -0.00 0.87 0.01 0.00 1.06 0.00 0.00 176.91 178.85 1up5 h ARG 37 N 1.24 1.03 -0.74 1.72 3.08 -0.37 -0.81 114.38 119.53 1up5 h ARG 37 Ca 0.32 -0.32 0.22 0.00 0.07 0.00 0.00 59.98 60.26 1up5 h ARG 37 Cb -0.03 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 1up5 h ARG 37 CO -0.06 1.01 0.56 0.66 -1.07 0.00 0.00 179.97 181.07 1up5 h SER 38 N 0.93 0.00 -0.25 7.04 4.64 -0.67 -1.74 113.55 123.50 1up5 h SER 38 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1up5 h SER 38 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 1up5 h SER 38 CO 0.03 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.17 1up5 n LEU 39 N -4.22 2.69 0.00 5.97 4.77 -0.36 -4.94 117.00 120.91 1up5 n LEU 39 Ca 0.15 -1.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.03 1up5 n LEU 39 Cb 0.83 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 1up5 n LEU 39 CO 0.37 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.59 1up5 n GLY 40 N 1.34 0.78 3.43 -0.72 0.00 -0.65 -5.06 105.19 104.31 1up5 n GLY 40 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1up5 n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1up5 s GLN 41 N -0.68 3.54 -0.65 1.61 -0.21 -0.90 -5.01 119.66 117.37 1up5 s GLN 41 Ca 0.00 -0.59 0.06 0.00 0.02 0.00 0.00 55.36 54.85 1up5 s GLN 41 Cb 0.00 -2.83 0.22 0.00 1.00 0.00 0.00 33.01 31.39 1up5 s GLN 41 CO 0.00 0.18 0.63 0.09 -2.12 0.00 0.00 175.29 174.07 1up5 n ASN 42 N 3.67 3.27 -4.79 5.90 4.13 -1.26 -1.90 115.26 124.28 1up5 n ASN 42 Ca -0.18 -3.31 -0.30 0.00 1.68 0.00 0.00 54.58 52.47 1up5 n ASN 42 Cb 0.52 -0.70 0.09 0.00 -1.54 0.00 0.00 39.78 38.15 1up5 n ASN 42 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1up5 s PRO 43 N -1.98 2.15 0.73 3.52 0.04 -1.26 -5.05 135.00 133.14 1up5 s PRO 43 Ca 0.34 0.74 -0.11 0.00 0.04 0.00 0.00 61.00 62.01 1up5 s PRO 43 Cb 0.07 -1.92 0.03 0.00 0.04 0.00 0.00 34.50 32.72 1up5 s PRO 43 CO -0.08 -1.60 1.09 0.95 0.04 0.00 0.00 177.00 177.39 1up5 s THR 44 N -3.10 3.52 0.50 1.26 -4.23 -1.26 -4.87 115.64 107.46 1up5 s THR 44 Ca 0.61 0.49 0.15 0.00 -1.18 0.00 0.00 61.69 61.76 1up5 s THR 44 Cb -0.15 -3.37 0.29 0.00 1.34 0.00 0.00 72.50 70.60 1up5 s THR 44 CO 0.55 -0.65 2.11 -0.08 -0.54 0.00 0.00 174.62 176.01 1up5 h GLU 45 N -0.78 0.11 -0.10 3.99 4.57 -1.99 -2.13 114.58 118.25 1up5 h GLU 45 Ca -0.45 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 57.71 1up5 h GLU 45 Cb 1.25 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1up5 h GLU 45 CO 0.61 0.08 0.04 0.00 -1.18 0.00 0.00 179.01 178.56 1up5 h ALA 46 N 1.91 0.13 -0.47 2.92 0.00 -1.99 -1.34 119.26 120.42 1up5 h ALA 46 Ca 0.07 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1up5 h ALA 46 Cb 0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1up5 h ALA 46 CO -0.01 -0.28 0.15 0.93 0.00 0.00 0.00 179.25 180.04 1up5 h GLU 47 N 0.00 0.74 -0.45 0.00 5.08 -1.79 -2.41 114.58 115.74 1up5 h GLU 47 Ca 0.03 -0.16 0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1up5 h GLU 47 Cb 0.18 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1up5 h GLU 47 CO -0.00 0.70 0.22 -0.07 -1.00 0.00 0.00 179.01 178.86 1up5 h LEU 48 N 0.63 0.32 -0.95 1.33 3.38 -1.39 -2.11 115.31 116.53 1up5 h LEU 48 Ca 0.15 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.17 1up5 h LEU 48 Cb 0.27 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 1up5 h LEU 48 CO -0.00 0.23 0.62 -0.61 0.09 0.00 0.00 178.44 178.77 1up5 h GLN 49 N 0.45 1.22 -0.35 1.13 5.75 -1.12 -0.87 115.11 121.32 1up5 h GLN 49 Ca 0.20 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.56 1up5 h GLN 49 Cb 0.10 -0.28 -0.02 0.00 1.07 0.00 0.00 27.48 28.36 1up5 h GLN 49 CO -0.14 0.81 -0.04 -0.44 -2.65 0.00 0.00 178.83 176.37 1up5 h ASP 50 N 1.26 0.53 -0.15 -0.69 3.32 -1.19 0.14 116.42 119.64 1up5 h ASP 50 Ca 0.36 -0.12 -0.17 0.00 0.02 0.00 0.00 57.03 57.12 1up5 h ASP 50 Cb -0.10 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 39.31 1up5 h ASP 50 CO -0.09 0.63 -0.56 0.24 -1.72 0.00 0.00 179.24 177.74 1up5 h MET 51 N 0.53 0.65 -0.52 3.56 2.86 -0.73 -1.55 114.93 119.73 1up5 h MET 51 Ca 0.11 -0.50 -0.01 0.00 -2.06 0.00 0.00 59.70 57.24 1up5 h MET 51 Cb 0.40 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 1up5 h MET 51 CO 0.02 1.12 0.28 0.82 1.06 0.00 0.00 176.91 180.20 1up5 h ILE 52 N 0.33 1.18 -0.33 -1.22 1.08 -0.98 -3.05 117.51 114.51 1up5 h ILE 52 Ca -0.03 -0.47 -0.02 0.00 -0.39 0.00 0.00 64.86 63.96 1up5 h ILE 52 Cb 1.19 0.55 -0.02 0.00 -3.07 0.00 0.00 36.82 35.47 1up5 h ILE 52 CO 0.12 0.19 0.12 0.78 -0.69 0.00 0.00 178.15 178.67 1up5 h ASN 53 N 0.69 0.42 0.15 1.72 -0.26 -0.50 -1.82 115.58 115.97 1up5 h ASN 53 Ca 0.18 -0.04 -0.01 0.00 -0.56 0.00 0.00 56.30 55.87 1up5 h ASN 53 Cb 0.06 -0.11 -0.00 0.00 -1.06 0.00 0.00 38.32 37.21 1up5 h ASN 53 CO -0.03 0.40 -0.07 -0.08 -1.06 0.00 0.00 177.43 176.59 1up5 h GLU 54 N 0.47 0.00 0.00 0.81 4.81 -1.17 -3.12 114.58 116.37 1up5 h GLU 54 Ca 0.12 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1up5 h GLU 54 Cb 0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1up5 h GLU 54 CO -0.01 0.07 -1.26 0.28 -0.73 0.00 0.00 179.01 177.36 1up5 n VAL 55 N -3.93 0.00 -2.41 0.32 0.31 -0.97 -4.90 118.33 106.76 1up5 n VAL 55 Ca -0.03 -0.27 -0.43 0.00 -0.01 0.00 0.00 64.34 63.61 1up5 n VAL 55 Cb 0.16 0.51 0.00 0.00 -0.91 0.00 0.00 33.84 33.60 1up5 n VAL 55 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1up5 n ASP 56 N -1.73 4.79 0.03 4.52 2.03 -0.72 -4.77 116.55 120.70 1up5 n ASP 56 Ca -0.00 -2.96 0.12 0.00 0.52 0.00 0.00 54.79 52.46 1up5 n ASP 56 Cb 0.32 -1.62 0.57 0.00 -0.72 0.00 0.00 41.12 39.66 1up5 n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1up5 h ALA 57 N 6.65 2.08 -0.01 -1.67 0.00 -1.90 -1.95 119.26 122.45 1up5 h ALA 57 Ca 0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1up5 h ALA 57 Cb 0.76 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1up5 h ALA 57 CO 1.55 -0.17 -0.52 -0.40 0.00 0.00 0.00 179.25 179.71 1up5 n ASP 58 N -4.47 1.89 -0.06 0.00 5.68 -1.26 -4.95 116.55 113.38 1up5 n ASP 58 Ca 0.06 -1.44 -0.01 0.00 -0.50 0.00 0.00 54.79 52.90 1up5 n ASP 58 Cb 0.31 0.51 -0.00 0.00 -1.14 0.00 0.00 41.12 40.80 1up5 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1up5 n GLY 59 N 1.43 0.47 0.00 6.12 0.00 -0.73 -4.89 105.19 107.57 1up5 n GLY 59 Ca 0.09 -0.19 0.15 0.00 0.00 0.00 0.00 46.02 46.07 1up5 n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1up5 n ASN 60 N 0.17 0.00 0.00 1.61 6.94 -1.26 -4.90 115.26 117.82 1up5 n ASN 60 Ca -0.01 -0.53 0.00 0.00 -0.02 0.00 0.00 54.58 54.03 1up5 n ASN 60 Cb 0.09 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 37.36 1up5 n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1up5 n GLY 61 N 1.13 0.56 3.40 4.83 0.00 -1.26 -5.06 105.19 108.79 1up5 n GLY 61 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 1up5 n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1up5 s THR 62 N -2.13 1.53 -0.18 2.61 -4.23 -1.26 -4.70 115.64 107.29 1up5 s THR 62 Ca 0.00 -2.12 -0.04 0.00 -1.18 0.00 0.00 61.69 58.36 1up5 s THR 62 Cb 0.00 -2.37 -0.02 0.00 1.34 0.00 0.00 72.50 71.45 1up5 s THR 62 CO 0.00 -0.35 -0.04 -0.51 -0.54 0.00 0.00 174.62 173.19 1up5 s ILE 63 N -3.09 3.70 0.60 2.99 2.07 -0.00 -4.86 121.20 122.61 1up5 s ILE 63 Ca 0.28 -0.41 0.06 0.00 -1.41 0.00 0.00 60.65 59.17 1up5 s ILE 63 Cb 0.04 -2.65 0.09 0.00 0.13 0.00 0.00 42.46 40.07 1up5 s ILE 63 CO 0.10 0.46 0.83 1.51 -1.91 0.00 0.00 174.94 175.94 1up5 s ASP 64 N 0.80 4.93 0.16 4.50 1.47 -1.26 -0.25 116.67 127.02 1up5 s ASP 64 Ca -0.01 -0.60 -0.10 0.00 1.18 0.00 0.00 52.55 53.02 1up5 s ASP 64 Cb -0.15 0.02 0.01 0.00 -0.34 0.00 0.00 42.92 42.47 1up5 s ASP 64 CO 0.02 -1.43 1.55 0.15 0.68 0.00 0.00 175.17 176.14 1up5 h PHE 65 N 0.00 1.15 -0.75 2.11 -0.00 -1.99 -1.06 116.94 116.39 1up5 h PHE 65 Ca -0.34 -0.28 0.04 0.00 -0.00 0.00 0.00 57.97 57.39 1up5 h PHE 65 Cb 1.28 -0.27 -0.05 0.00 -0.00 0.00 0.00 35.95 36.92 1up5 h PHE 65 CO 0.22 1.11 0.47 -1.35 -0.00 0.00 0.00 178.31 178.77 1up5 h PRO 66 N 0.86 0.89 -0.40 6.41 0.11 -1.95 0.28 132.00 138.20 1up5 h PRO 66 Ca 0.11 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1up5 h PRO 66 Cb 0.80 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.69 1up5 h PRO 66 CO 0.07 0.59 0.25 0.93 -0.21 0.00 0.00 178.00 179.63 1up5 h GLU 67 N 0.91 0.53 -0.79 1.05 5.08 -1.82 -2.22 114.58 117.34 1up5 h GLU 67 Ca 0.31 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.68 1up5 h GLU 67 Cb 0.04 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.12 1up5 h GLU 67 CO -0.12 0.38 0.48 0.35 -1.00 0.00 0.00 179.01 179.09 1up5 h PHE 68 N 0.53 0.89 -0.62 4.33 3.04 -0.94 -2.27 116.94 121.90 1up5 h PHE 68 Ca 0.14 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 62.03 1up5 h PHE 68 Cb -0.03 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 38.17 1up5 h PHE 68 CO -0.04 0.46 0.03 -0.07 -2.02 0.00 0.00 178.31 176.67 1up5 h LEU 69 N 0.89 1.04 -0.58 0.59 3.38 -0.05 -1.42 115.31 119.16 1up5 h LEU 69 Ca 0.34 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1up5 h LEU 69 Cb 0.14 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1up5 h LEU 69 CO -0.16 1.08 0.34 0.74 0.09 0.00 0.00 178.44 180.53 1up5 h THR 70 N 0.97 1.17 -0.04 0.22 2.02 -1.19 -0.21 112.91 115.86 1up5 h THR 70 Ca 0.18 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1up5 h THR 70 Cb 0.53 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1up5 h THR 70 CO 0.03 0.18 0.00 -0.03 0.37 0.00 0.00 175.52 176.07 1up5 h MET 71 N 0.78 0.08 -0.97 6.66 1.85 -1.05 -2.80 114.93 119.47 1up5 h MET 71 Ca 0.21 -0.02 0.07 0.00 -0.61 0.00 0.00 59.70 59.34 1up5 h MET 71 Cb -0.01 -0.01 -0.07 0.00 0.43 0.00 0.00 31.60 31.95 1up5 h MET 71 CO -0.04 0.36 0.63 0.52 -0.40 0.00 0.00 176.91 177.98 1up5 h MET 72 N -0.22 1.08 -0.02 0.39 2.07 -1.03 0.11 114.93 117.31 1up5 h MET 72 Ca 0.01 -0.06 0.03 0.00 -2.07 0.00 0.00 59.70 57.61 1up5 h MET 72 Cb 0.33 -0.24 -0.05 0.00 -1.87 0.00 0.00 31.60 29.77 1up5 h MET 72 CO 0.00 0.71 -0.24 0.00 1.07 0.00 0.00 176.91 178.45 1up5 h ALA 73 N 1.48 -0.31 -0.34 6.32 0.00 -0.97 0.56 119.26 126.00 1up5 h ALA 73 Ca 0.42 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.26 1up5 h ALA 73 Cb 0.20 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1up5 h ALA 73 CO -0.17 -0.74 -0.08 -0.09 0.00 0.00 0.00 179.25 178.18 1up5 h ARG 74 N -0.37 0.66 -0.82 0.00 2.43 -1.19 -2.10 114.38 112.99 1up5 h ARG 74 Ca 0.07 -0.25 0.07 0.00 -0.81 0.00 0.00 59.98 59.06 1up5 h ARG 74 Cb 0.46 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.91 1up5 h ARG 74 CO -0.23 0.82 0.49 -0.22 -1.51 0.00 0.00 179.97 179.32 1up5 h LYS 75 N 0.44 0.84 -0.08 0.20 3.64 -0.71 -1.31 116.57 119.60 1up5 h LYS 75 Ca 0.09 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1up5 h LYS 75 Cb 0.57 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1up5 h LYS 75 CO 0.03 0.56 0.04 1.98 -2.27 0.00 0.00 179.45 179.79 1up5 h MET 76 N 0.87 0.11 -0.77 1.90 4.05 0.36 -0.84 114.93 120.61 1up5 h MET 76 Ca 0.37 -0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.80 1up5 h MET 76 Cb 0.23 -0.02 -0.05 0.00 -0.80 0.00 0.00 31.60 30.96 1up5 h MET 76 CO -0.20 0.18 0.49 0.87 0.23 0.00 0.00 176.91 178.48 1up5 h LYS 77 N 0.01 0.94 -0.56 0.39 6.56 -1.16 0.90 116.57 123.65 1up5 h LYS 77 Ca 0.03 -0.06 -0.10 0.00 -1.06 0.00 0.00 60.65 59.46 1up5 h LYS 77 Cb 0.10 -0.21 -0.02 0.00 -0.57 0.00 0.00 32.23 31.53 1up5 h LYS 77 CO -0.00 0.62 -0.03 -0.44 -2.06 0.00 0.00 179.45 177.53 1up5 h ASP 78 N 0.96 0.97 -0.22 0.86 5.19 -1.16 -1.28 116.42 121.74 1up5 h ASP 78 Ca 0.30 -0.28 -0.03 0.00 -0.62 0.00 0.00 57.03 56.40 1up5 h ASP 78 Cb -0.01 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.23 1up5 h ASP 78 CO -0.10 1.05 0.01 0.74 -3.12 0.00 0.00 179.24 177.81 1up5 h THR 79 N 0.90 1.25 0.22 0.35 2.02 -0.51 -0.43 112.91 116.71 1up5 h THR 79 Ca 0.16 -0.86 0.01 0.00 0.77 0.00 0.00 66.41 66.49 1up5 h THR 79 Cb 0.57 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 68.33 1up5 h THR 79 CO 0.03 0.27 -0.31 0.44 0.37 0.00 0.00 175.52 176.32 1up5 h ASP 80 N 0.16 -0.85 -0.73 4.18 3.32 -0.70 -0.92 116.42 120.89 1up5 h ASP 80 Ca 0.06 0.09 0.16 0.00 0.02 0.00 0.00 57.03 57.36 1up5 h ASP 80 Cb 0.39 0.31 -0.12 0.00 0.22 0.00 0.00 39.33 40.12 1up5 h ASP 80 CO 0.01 -0.42 0.05 0.28 -1.72 0.00 0.00 179.24 177.45 1up5 h SER 81 N -0.59 -0.24 -0.12 6.45 0.02 -1.17 -1.61 113.55 116.30 1up5 h SER 81 Ca 0.01 0.18 -0.13 0.00 -0.84 0.00 0.00 61.79 61.00 1up5 h SER 81 Cb 0.57 0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 1up5 h SER 81 CO -0.12 -0.14 -0.36 -0.33 -1.14 0.00 0.00 176.83 174.75 1up5 h GLU 82 N 0.15 0.63 -0.60 3.45 4.39 -0.34 -1.78 114.58 120.47 1up5 h GLU 82 Ca 0.40 -0.31 -0.04 0.00 0.34 0.00 0.00 59.36 59.75 1up5 h GLU 82 Cb 0.70 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.32 1up5 h GLU 82 CO -0.60 0.90 0.20 0.93 -1.16 0.00 0.00 179.01 179.28 1up5 h GLU 83 N 0.53 0.93 -0.61 2.33 5.08 -0.73 -0.95 114.58 121.16 1up5 h GLU 83 Ca 0.05 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.13 1up5 h GLU 83 Cb 0.87 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1up5 h GLU 83 CO 0.07 0.82 0.04 0.93 -1.00 0.00 0.00 179.01 179.88 1up5 h GLU 84 N 0.85 1.05 -0.13 2.33 5.08 -1.10 -0.59 114.58 122.07 1up5 h GLU 84 Ca 0.20 -0.31 -0.18 0.00 -1.00 0.00 0.00 59.36 58.06 1up5 h GLU 84 Cb 0.27 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1up5 h GLU 84 CO -0.01 1.01 -0.66 0.82 -1.00 0.00 0.00 179.01 179.17 1up5 h ILE 85 N 0.96 1.34 -0.23 3.13 2.04 -1.23 -2.79 117.51 120.72 1up5 h ILE 85 Ca 0.18 -1.98 -0.14 0.00 1.00 0.00 0.00 64.86 63.93 1up5 h ILE 85 Cb 0.50 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 1up5 h ILE 85 CO 0.02 0.61 -0.42 -0.09 0.00 0.00 0.00 178.15 178.27 1up5 h ARG 86 N 0.37 0.57 0.23 2.37 9.65 -1.09 -2.07 114.38 124.41 1up5 h ARG 86 Ca -0.02 -0.29 -0.01 0.00 -1.10 0.00 0.00 59.98 58.56 1up5 h ARG 86 Cb 1.23 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.82 1up5 h ARG 86 CO 0.12 0.88 -0.12 0.93 2.80 0.00 0.00 179.97 184.58 1up5 h GLU 87 N 0.46 -0.32 -0.78 0.20 5.08 -0.94 -0.83 114.58 117.47 1up5 h GLU 87 Ca 0.04 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.49 1up5 h GLU 87 Cb 0.93 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.18 1up5 h GLU 87 CO 0.08 -0.21 0.45 0.00 -1.00 0.00 0.00 179.01 178.33 1up5 h ALA 88 N 0.44 1.07 -0.56 3.43 0.00 -1.48 -1.68 119.26 120.49 1up5 h ALA 88 Ca -0.03 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1up5 h ALA 88 Cb 0.26 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1up5 h ALA 88 CO 0.04 0.12 0.17 0.35 0.00 0.00 0.00 179.25 179.93 1up5 h PHE 89 N 0.79 0.91 -0.29 0.00 3.57 -1.01 -1.81 116.94 119.10 1up5 h PHE 89 Ca 0.36 -0.10 -0.05 0.00 3.53 0.00 0.00 57.97 61.71 1up5 h PHE 89 Cb 0.26 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1up5 h PHE 89 CO -0.06 0.77 -0.05 0.00 -2.23 0.00 0.00 178.31 176.74 1up5 h ARG 90 N 0.78 0.46 -0.65 1.11 3.08 -0.28 -0.95 114.38 117.93 1up5 h ARG 90 Ca 0.18 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.11 1up5 h ARG 90 Cb 0.30 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 1up5 h ARG 90 CO -0.00 0.53 0.34 0.28 -1.07 0.00 0.00 179.97 180.04 1up5 h VAL 91 N 0.44 1.21 -0.26 2.04 2.07 -0.57 -3.05 116.25 118.13 1up5 h VAL 91 Ca 0.09 -0.57 -0.14 0.00 0.82 0.00 0.00 66.70 66.90 1up5 h VAL 91 Cb 0.36 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1up5 h VAL 91 CO 0.02 0.24 -0.40 -0.26 0.02 0.00 0.00 177.57 177.19 1up5 h PHE 92 N 0.89 0.74 -2.72 1.57 -1.00 -0.91 -3.36 116.94 112.15 1up5 h PHE 92 Ca 0.23 -0.21 -0.73 0.00 2.81 0.00 0.00 57.97 60.07 1up5 h PHE 92 Cb 0.08 -0.16 -0.20 0.00 3.61 0.00 0.00 35.95 39.28 1up5 h PHE 92 CO -0.00 0.92 0.75 0.34 -1.61 0.00 0.00 178.31 178.71 1up5 s ASP 93 N -6.85 6.78 0.14 2.17 2.15 -0.43 -4.58 116.67 116.05 1up5 s ASP 93 Ca -0.08 -2.44 -0.16 0.00 0.43 0.00 0.00 52.55 50.30 1up5 s ASP 93 Cb 0.12 -2.35 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 1up5 s ASP 93 CO 0.83 -0.86 1.71 0.50 -0.17 0.00 0.00 175.17 177.19 1up5 h LYS 94 N 8.19 0.60 -0.15 4.34 3.64 -1.76 -2.73 116.57 128.70 1up5 h LYS 94 Ca 0.18 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1up5 h LYS 94 Cb 0.99 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 1up5 h LYS 94 CO 1.05 0.53 0.00 -0.40 -2.27 0.00 0.00 179.45 178.36 1up5 n ASP 95 N -4.67 0.94 -2.20 4.20 5.68 -1.26 -4.98 116.55 114.26 1up5 n ASP 95 Ca 0.00 -1.85 -0.16 0.00 -0.50 0.00 0.00 54.79 52.28 1up5 n ASP 95 Cb 0.12 -0.10 -0.02 0.00 -1.14 0.00 0.00 41.12 39.97 1up5 n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1up5 n GLY 96 N 0.85 -0.02 0.96 6.12 0.00 -1.03 -4.89 105.19 107.18 1up5 n GLY 96 Ca 0.09 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.19 1up5 n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1up5 n ASN 97 N -1.66 2.78 0.00 1.61 2.04 -1.26 -4.93 115.26 113.84 1up5 n ASN 97 Ca -0.19 -2.09 0.00 0.00 -0.44 0.00 0.00 54.58 51.87 1up5 n ASN 97 Cb 0.62 -0.36 0.00 0.00 -2.53 0.00 0.00 39.78 37.51 1up5 n ASN 97 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1up5 n GLY 98 N 1.14 1.17 3.24 4.83 0.00 -1.26 -5.03 105.19 109.28 1up5 n GLY 98 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 1up5 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1up5 s TYR 99 N -3.59 1.80 -0.25 1.61 1.51 -1.26 -4.18 117.35 112.99 1up5 s TYR 99 Ca 0.00 -0.36 -0.13 0.00 -1.01 0.00 0.00 57.07 55.57 1up5 s TYR 99 Cb 0.00 -1.09 -0.04 0.00 -0.11 0.00 0.00 41.96 40.71 1up5 s TYR 99 CO 0.00 0.06 0.26 0.42 -1.11 0.00 0.00 175.55 175.18 1up5 s ILE 100 N -0.71 5.28 0.76 2.71 1.01 0.15 -4.79 121.20 125.60 1up5 s ILE 100 Ca 0.07 0.37 -0.06 0.00 0.00 0.00 0.00 60.65 61.04 1up5 s ILE 100 Cb -0.08 -3.60 0.12 0.00 0.01 0.00 0.00 42.46 38.91 1up5 s ILE 100 CO 0.01 0.26 1.06 -0.94 0.00 0.00 0.00 174.94 175.34 1up5 s SER 101 N 1.35 4.22 0.09 3.58 1.04 -1.26 -1.36 113.70 121.35 1up5 s SER 101 Ca 0.11 -0.01 -0.24 0.00 0.48 0.00 0.00 55.95 56.30 1up5 s SER 101 Cb -0.15 -0.39 -0.15 0.00 0.10 0.00 0.00 66.02 65.44 1up5 s SER 101 CO 0.08 -1.96 1.73 0.00 0.98 0.00 0.00 173.24 174.06 1up5 h ALA 102 N -0.77 -0.10 -0.90 5.32 0.00 -1.92 -1.70 119.26 119.19 1up5 h ALA 102 Ca -0.40 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.58 1up5 h ALA 102 Cb 1.27 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 19.05 1up5 h ALA 102 CO 0.45 -0.56 0.58 0.00 0.00 0.00 0.00 179.25 179.72 1up5 h ALA 103 N 0.83 1.60 -0.17 0.00 0.00 -1.98 0.30 119.26 119.84 1up5 h ALA 103 Ca -0.01 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1up5 h ALA 103 Cb 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1up5 h ALA 103 CO 0.01 0.23 -0.36 0.93 0.00 0.00 0.00 179.25 180.06 1up5 h GLU 104 N 0.93 0.55 -0.56 0.00 5.08 -1.85 -1.68 114.58 117.04 1up5 h GLU 104 Ca 0.41 -0.36 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1up5 h GLU 104 Cb 0.35 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 1up5 h GLU 104 CO -0.17 0.97 0.24 1.25 -1.00 0.00 0.00 179.01 180.30 1up5 h LEU 105 N 0.19 0.76 -0.36 1.33 5.85 -1.01 -1.11 115.31 120.96 1up5 h LEU 105 Ca 0.00 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 1up5 h LEU 105 Cb 0.96 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 1up5 h LEU 105 CO 0.08 0.70 0.01 -0.09 -0.34 0.00 0.00 178.44 178.81 1up5 h ARG 106 N 0.76 0.63 -0.68 1.25 2.43 -0.85 0.23 114.38 118.14 1up5 h ARG 106 Ca 0.19 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1up5 h ARG 106 Cb 0.17 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1up5 h ARG 106 CO -0.02 0.73 0.44 1.25 -1.51 0.00 0.00 179.97 180.86 1up5 h HIS 107 N 0.45 0.86 -0.09 2.20 2.76 -1.09 -2.03 115.15 118.21 1up5 h HIS 107 Ca 0.10 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.23 1up5 h HIS 107 Cb 0.44 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.11 1up5 h HIS 107 CO 0.03 0.55 -0.19 0.28 -1.30 0.00 0.00 177.93 177.30 1up5 h VAL 108 N 0.92 1.40 -0.85 5.26 2.07 -0.96 -3.16 116.25 120.93 1up5 h VAL 108 Ca 0.25 -1.50 0.16 0.00 0.82 0.00 0.00 66.70 66.43 1up5 h VAL 108 Cb -0.09 2.17 -0.10 0.00 -1.52 0.00 0.00 31.29 31.75 1up5 h VAL 108 CO -0.05 0.43 0.42 0.24 0.02 0.00 0.00 177.57 178.63 1up5 h MET 109 N -0.19 0.55 -0.94 1.57 2.07 -0.80 0.17 114.93 117.38 1up5 h MET 109 Ca 0.00 -0.03 0.09 0.00 -2.07 0.00 0.00 59.70 57.69 1up5 h MET 109 Cb 0.78 -0.12 -0.07 0.00 -1.87 0.00 0.00 31.60 30.32 1up5 h MET 109 CO 0.04 0.37 0.60 1.15 1.07 0.00 0.00 176.91 180.14 1up5 h THR 110 N 0.57 1.00 0.00 2.22 2.02 -1.08 0.17 112.91 117.81 1up5 h THR 110 Ca 0.48 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 67.32 1up5 h THR 110 Cb 0.73 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1up5 h THR 110 CO -0.40 0.18 0.00 0.78 0.37 0.00 0.00 175.52 176.45 1up5 h ASN 111 N 0.98 0.00 -0.51 4.18 2.35 -0.67 -2.65 115.58 119.26 1up5 h ASN 111 Ca 0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.18 1up5 h ASN 111 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.72 1up5 h ASN 111 CO -0.19 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.77 1up5 n LEU 112 N -2.86 3.10 0.00 1.61 4.32 -0.12 -4.93 117.00 118.12 1up5 n LEU 112 Ca 0.03 -1.56 0.00 0.00 -0.02 0.00 0.00 56.01 54.46 1up5 n LEU 112 Cb 0.41 -0.40 0.00 0.00 -1.62 0.00 0.00 43.42 41.81 1up5 n LEU 112 CO 0.30 0.67 0.00 0.61 -1.22 0.00 0.00 177.39 177.75 1up5 n GLY 113 N 1.17 0.80 3.11 -0.72 0.00 -0.74 -5.05 105.19 103.77 1up5 n GLY 113 Ca 0.18 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 1up5 n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1up5 n GLU 114 N -2.38 0.77 0.00 1.61 -0.58 -0.25 -4.99 120.64 114.83 1up5 n GLU 114 Ca 0.00 -3.19 0.00 0.00 -0.42 0.00 0.00 57.16 53.55 1up5 n GLU 114 Cb 0.00 1.26 0.00 0.00 -0.57 0.00 0.00 31.44 32.13 1up5 n GLU 114 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1up5 n LEU 116 N 0.00 0.00 -4.76 -4.62 4.77 -1.26 -2.54 117.00 108.59 1up5 n LEU 116 Ca -0.12 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.57 1up5 n LEU 116 Cb 0.56 0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.79 1up5 n LEU 116 CO 0.30 0.00 0.70 0.42 -1.33 0.00 0.00 177.39 177.48 1up5 s THR 117 N -1.26 2.00 0.38 -5.08 -4.23 -1.26 -4.84 115.64 101.35 1up5 s THR 117 Ca 0.00 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.57 1up5 s THR 117 Cb 0.00 -2.70 0.28 0.00 1.34 0.00 0.00 72.50 71.42 1up5 s THR 117 CO 0.00 0.00 2.02 0.44 -0.54 0.00 0.00 174.62 176.54 1up5 h ASP 118 N -1.60 0.58 -0.53 3.99 3.32 -1.99 -0.95 116.42 119.24 1up5 h ASP 118 Ca -0.51 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.41 1up5 h ASP 118 Cb 1.33 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 1up5 h ASP 118 CO 0.61 0.41 -0.13 -0.08 -1.72 0.00 0.00 179.24 178.33 1up5 h GLU 119 N 0.68 1.03 -0.26 3.56 4.22 -1.99 -1.07 114.58 120.75 1up5 h GLU 119 Ca 0.22 -0.39 -0.16 0.00 0.08 0.00 0.00 59.36 59.11 1up5 h GLU 119 Cb 0.04 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1up5 h GLU 119 CO -0.06 1.08 -0.48 0.93 -2.18 0.00 0.00 179.01 178.31 1up5 h GLU 120 N 0.91 0.71 -0.41 1.92 5.08 -1.81 -2.27 114.58 118.71 1up5 h GLU 120 Ca 0.14 -0.41 -0.15 0.00 -1.00 0.00 0.00 59.36 57.93 1up5 h GLU 120 Cb 0.70 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1up5 h GLU 120 CO 0.05 1.03 -0.35 0.28 -1.00 0.00 0.00 179.01 179.02 1up5 h VAL 121 N 0.56 1.27 -0.71 3.13 2.07 -1.12 -2.06 116.25 119.39 1up5 h VAL 121 Ca 0.03 -1.52 0.02 0.00 0.82 0.00 0.00 66.70 66.05 1up5 h VAL 121 Cb 1.03 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 32.09 1up5 h VAL 121 CO 0.10 0.51 0.47 0.44 0.02 0.00 0.00 177.57 179.11 1up5 h ASP 122 N 0.78 0.78 -0.20 0.57 3.32 -1.16 -1.20 116.42 119.31 1up5 h ASP 122 Ca 0.07 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1up5 h ASP 122 Cb 0.94 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 1up5 h ASP 122 CO 0.09 0.55 0.01 -0.08 -1.72 0.00 0.00 179.24 178.09 1up5 h GLU 123 N 0.92 0.35 -0.69 3.56 4.81 -1.15 -2.19 114.58 120.18 1up5 h GLU 123 Ca 0.27 -0.11 0.03 0.00 -0.13 0.00 0.00 59.36 59.42 1up5 h GLU 123 Cb -0.03 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.28 1up5 h GLU 123 CO -0.07 0.54 0.43 0.52 -0.73 0.00 0.00 179.01 179.71 1up5 h MET 124 N 0.12 0.83 0.12 1.92 2.86 -1.08 -1.61 114.93 118.09 1up5 h MET 124 Ca 0.06 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1up5 h MET 124 Cb 0.38 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 1up5 h MET 124 CO 0.01 0.55 -0.07 0.82 1.06 0.00 0.00 176.91 179.28 1up5 h ILE 125 N 0.85 0.86 -0.91 -1.22 1.08 -1.16 -2.92 117.51 114.10 1up5 h ILE 125 Ca 0.27 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.86 1up5 h ILE 125 Cb 0.01 0.86 -0.07 0.00 -3.07 0.00 0.00 36.82 34.55 1up5 h ILE 125 CO -0.10 0.00 0.58 0.03 -0.69 0.00 0.00 178.15 177.97 1up5 h ARG 126 N -0.17 0.83 -0.89 2.37 3.08 -1.24 0.18 114.38 118.54 1up5 h ARG 126 Ca -0.01 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1up5 h ARG 126 Cb 0.14 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 1up5 h ARG 126 CO 0.02 0.55 0.58 1.49 -1.07 0.00 0.00 179.97 181.54 1up5 h GLU 127 N 0.85 1.17 0.00 0.04 4.81 -1.11 -3.02 114.58 117.32 1up5 h GLU 127 Ca 0.44 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.59 1up5 h GLU 127 Cb 0.51 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1up5 h GLU 127 CO -0.20 0.78 -1.47 0.00 -0.73 0.00 0.00 179.01 177.39 1up5 n ALA 128 N -2.40 3.57 -1.99 2.92 0.00 -0.76 -4.79 120.51 117.06 1up5 n ALA 128 Ca 0.10 -0.52 -0.42 0.00 0.00 0.00 0.00 53.44 52.60 1up5 n ALA 128 Cb 0.02 -0.80 -0.00 0.00 0.00 0.00 0.00 19.45 18.67 1up5 n ALA 128 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1up5 n ASP 129 N -1.96 4.14 -0.34 0.00 2.03 0.57 -4.76 116.55 116.23 1up5 n ASP 129 Ca -0.00 -2.86 0.12 0.00 0.52 0.00 0.00 54.79 52.57 1up5 n ASP 129 Cb 0.47 -1.67 0.30 0.00 -0.72 0.00 0.00 41.12 39.50 1up5 n ASP 129 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1up5 h ILE 130 N 4.59 0.71 -0.59 5.18 2.04 -1.86 -1.71 117.51 125.87 1up5 h ILE 130 Ca 0.52 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 66.12 1up5 h ILE 130 Cb 0.72 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 1up5 h ILE 130 CO 1.74 0.13 0.00 -0.90 0.00 0.00 0.00 178.15 179.12 1up5 n ASP 131 N -4.79 4.67 -4.19 1.72 5.68 -1.26 -4.97 116.55 113.41 1up5 n ASP 131 Ca 0.22 -2.51 -0.33 0.00 -0.50 0.00 0.00 54.79 51.67 1up5 n ASP 131 Cb 0.54 -0.59 -0.08 0.00 -1.14 0.00 0.00 41.12 39.86 1up5 n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1up5 n GLY 132 N 0.98 -0.23 1.14 6.12 0.00 -0.64 -4.79 105.19 107.76 1up5 n GLY 132 Ca 0.24 0.12 0.08 0.00 0.00 0.00 0.00 46.02 46.46 1up5 n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1up5 n ASP 133 N -2.37 3.31 0.00 1.61 5.75 -1.26 -4.96 116.55 118.64 1up5 n ASP 133 Ca -0.11 -2.13 0.00 0.00 -0.01 0.00 0.00 54.79 52.55 1up5 n ASP 133 Cb 0.52 -0.43 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 1up5 n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1up5 n GLY 134 N 1.23 0.68 3.51 6.12 0.00 -1.26 -5.00 105.19 110.48 1up5 n GLY 134 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 1up5 n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1up5 s GLN 135 N -0.18 1.53 -0.25 1.61 -0.21 -1.26 -4.72 119.66 116.18 1up5 s GLN 135 Ca 0.00 -1.38 -0.02 0.00 0.02 0.00 0.00 55.36 53.98 1up5 s GLN 135 Cb 0.00 0.43 0.02 0.00 1.00 0.00 0.00 33.01 34.47 1up5 s GLN 135 CO 0.00 -0.62 -0.05 0.08 -2.12 0.00 0.00 175.29 172.58 1up5 s VAL 136 N -3.92 2.94 0.47 1.09 1.01 -0.47 -4.71 120.40 116.81 1up5 s VAL 136 Ca 0.26 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1up5 s VAL 136 Cb 0.01 -2.48 0.09 0.00 0.00 0.00 0.00 36.38 33.99 1up5 s VAL 136 CO 0.11 0.21 0.64 -0.46 0.00 0.00 0.00 175.10 175.59 1up5 n ASN 137 N 4.68 0.92 -0.08 3.32 0.23 -1.26 0.30 115.26 123.37 1up5 n ASN 137 Ca -0.16 -1.76 -0.12 0.00 -0.53 0.00 0.00 54.58 52.00 1up5 n ASN 137 Cb 0.47 -0.41 -0.05 0.00 -2.08 0.00 0.00 39.78 37.71 1up5 n ASN 137 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1up5 h TYR 138 N -0.47 0.57 -0.19 -2.53 3.20 -1.98 0.53 116.97 116.09 1up5 h TYR 138 Ca -0.21 -0.14 0.04 0.00 3.14 0.00 0.00 58.73 61.55 1up5 h TYR 138 Cb 0.80 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.90 1up5 h TYR 138 CO 0.00 0.77 -0.02 1.49 -1.64 0.00 0.00 178.16 178.75 1up5 h GLU 139 N 0.21 0.03 -0.49 1.82 4.81 -1.95 0.24 114.58 119.24 1up5 h GLU 139 Ca 0.05 -0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.19 1up5 h GLU 139 Cb 0.62 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 1up5 h GLU 139 CO 0.03 0.02 -0.05 0.93 -0.73 0.00 0.00 179.01 179.21 1up5 h GLU 140 N 0.03 0.90 -0.74 1.92 5.08 -1.75 -1.50 114.58 118.52 1up5 h GLU 140 Ca 0.09 -0.32 0.14 0.00 -1.00 0.00 0.00 59.36 58.28 1up5 h GLU 140 Cb 0.13 -0.07 -0.10 0.00 0.50 0.00 0.00 28.75 29.21 1up5 h GLU 140 CO -0.18 0.96 0.26 0.35 -1.00 0.00 0.00 179.01 179.41 1up5 h PHE 141 N 0.76 0.44 -0.09 4.33 3.57 0.73 -2.25 116.94 124.44 1up5 h PHE 141 Ca 0.13 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.61 1up5 h PHE 141 Cb 0.59 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1up5 h PHE 141 CO 0.04 0.02 -0.18 0.28 -2.23 0.00 0.00 178.31 176.25 1up5 h VAL 142 N 0.39 1.40 -0.46 1.41 2.07 -0.05 -2.59 116.25 118.42 1up5 h VAL 142 Ca 0.41 -1.48 0.02 0.00 0.82 0.00 0.00 66.70 66.47 1up5 h VAL 142 Cb 0.64 2.16 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 1up5 h VAL 142 CO -0.43 0.42 0.30 -0.61 0.02 0.00 0.00 177.57 177.28 1up5 h GLN 143 N -0.19 0.55 -0.11 1.57 4.15 -1.02 -0.32 115.11 119.74 1up5 h GLN 143 Ca 0.00 -0.03 -0.16 0.00 0.77 0.00 0.00 58.65 59.23 1up5 h GLN 143 Cb 0.77 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.32 1up5 h GLN 143 CO 0.04 0.37 -0.60 1.98 -1.93 0.00 0.00 178.83 178.68 1up5 h MET 144 N 0.57 0.38 -0.05 1.69 4.05 -1.43 -3.06 114.93 117.07 1up5 h MET 144 Ca 0.18 -0.26 -0.01 0.00 -0.28 0.00 0.00 59.70 59.33 1up5 h MET 144 Cb 0.01 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 30.84 1up5 h MET 144 CO -0.04 0.87 -0.01 0.52 0.23 0.00 0.00 176.91 178.47 1up5 h MET 145 N 0.28 0.07 -5.51 0.39 2.86 -0.66 -3.46 114.93 108.90 1up5 h MET 145 Ca -0.01 -0.01 -0.63 0.00 -2.06 0.00 0.00 59.70 57.00 1up5 h MET 145 Cb 1.13 -0.02 -0.09 0.00 0.06 0.00 0.00 31.60 32.69 1up5 h MET 145 CO 0.10 0.09 -0.45 0.95 1.06 0.00 0.00 176.91 178.67 1up5 s THR 146 N -5.02 5.42 0.16 2.22 -4.23 -0.79 -5.01 115.64 108.38 1up5 s THR 146 Ca -0.05 0.28 -0.30 0.00 -1.18 0.00 0.00 61.69 60.44 1up5 s THR 146 Cb 0.17 -3.47 -0.07 0.00 1.34 0.00 0.00 72.50 70.46 1up5 s THR 146 CO 0.69 0.52 1.15 0.00 -0.54 0.00 0.00 174.62 176.44 1up5 s ALA 147 N -0.35 3.39 0.00 3.99 0.00 -1.26 -4.98 121.76 122.55 1up5 s ALA 147 Ca 0.13 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.95 1up5 s ALA 147 Cb -0.12 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1up5 s ALA 147 CO 0.02 -0.30 0.00 0.36 0.00 0.00 0.00 175.76 175.84