#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1py1 s THR 9 N 0.00 2.79 0.20 2.62 -4.23 -1.26 -4.97 115.64 110.79 1py1 s THR 9 Ca 0.00 -1.31 -0.11 0.00 -1.18 0.00 0.00 61.69 59.09 1py1 s THR 9 Cb 0.00 -3.02 0.13 0.00 1.34 0.00 0.00 72.50 70.95 1py1 s THR 9 CO 0.00 -0.02 1.86 -0.07 -0.54 0.00 0.00 174.62 175.85 1py1 h LEU 10 N 1.01 0.81 -0.25 4.79 4.07 -1.97 -0.38 115.31 123.39 1py1 h LEU 10 Ca -0.42 -0.04 0.04 0.00 0.08 0.00 0.00 57.88 57.55 1py1 h LEU 10 Cb 1.27 -0.20 -0.04 0.00 1.08 0.00 0.00 40.66 42.77 1py1 h LEU 10 CO 0.56 0.61 0.01 -0.33 -1.08 0.00 0.00 178.44 178.21 1py1 h GLU 11 N 0.94 0.09 -0.58 1.13 3.07 -1.98 0.41 114.58 117.66 1py1 h GLU 11 Ca 0.25 -0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.13 1py1 h GLU 11 Cb -0.08 -0.02 -0.04 0.00 -0.84 0.00 0.00 28.75 27.78 1py1 h GLU 11 CO -0.05 0.06 0.37 0.00 -1.40 0.00 0.00 179.01 177.98 1py1 h ALA 12 N 1.20 0.75 0.92 3.43 0.00 -1.85 0.54 119.26 124.26 1py1 h ALA 12 Ca 0.12 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1py1 h ALA 12 Cb 0.14 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.75 1py1 h ALA 12 CO -0.19 0.11 -0.44 0.00 0.00 0.00 0.00 179.25 178.73 1py1 h ARG 13 N 0.73 -1.19 -0.73 0.00 -0.00 -0.50 -2.84 114.38 109.85 1py1 h ARG 13 Ca 0.23 0.08 0.13 0.00 -0.50 0.00 0.00 59.98 59.92 1py1 h ARG 13 Cb -0.01 0.27 -0.05 0.00 0.00 0.00 0.00 29.97 30.18 1py1 h ARG 13 CO -0.08 -0.80 0.49 0.97 0.00 0.00 0.00 179.97 180.54 1py1 h ILE 14 N -1.27 0.83 -0.07 2.04 6.09 -0.05 -0.15 117.51 124.92 1py1 h ILE 14 Ca -0.13 -0.15 -0.08 0.00 -1.37 0.00 0.00 64.86 63.13 1py1 h ILE 14 Cb 0.95 0.34 -0.01 0.00 0.47 0.00 0.00 36.82 38.57 1py1 h ILE 14 CO 0.21 0.08 -0.31 0.78 -3.07 0.00 0.00 178.15 175.84 1py1 h ASN 15 N 0.45 0.13 0.60 2.19 2.35 -0.79 -1.65 115.58 118.85 1py1 h ASN 15 Ca 0.35 -0.04 -0.28 0.00 -0.55 0.00 0.00 56.30 55.78 1py1 h ASN 15 Cb 0.75 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 39.05 1py1 h ASN 15 CO -0.11 0.44 -1.46 -0.09 -1.65 0.00 0.00 177.43 174.56 1py1 h ARG 16 N 0.12 0.11 0.00 0.81 2.43 -0.85 -2.56 114.38 114.44 1py1 h ARG 16 Ca 0.02 -0.19 -0.05 0.00 -0.81 0.00 0.00 59.98 58.94 1py1 h ARG 16 Cb 0.61 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 1py1 h ARG 16 CO 0.04 0.91 -0.26 0.00 -1.51 0.00 0.00 179.97 179.15 1py1 h ALA 17 N 0.76 0.99 0.00 2.80 0.00 -1.03 -3.22 119.26 119.56 1py1 h ALA 17 Ca -0.20 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1py1 h ALA 17 Cb 1.95 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1py1 h ALA 17 CO 0.13 0.32 -0.00 0.25 0.00 0.00 0.00 179.25 179.95 1py1 n THR 18 N -3.39 1.81 -1.86 0.00 -2.24 -0.63 -4.70 114.28 103.26 1py1 n THR 18 Ca 0.00 -2.16 -0.42 0.00 -2.27 0.00 0.00 64.05 59.21 1py1 n THR 18 Cb 0.46 -0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.49 1py1 n THR 18 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1py1 s ASN 19 N -2.71 6.55 0.63 3.42 3.84 -0.96 -4.46 114.94 121.24 1py1 s ASN 19 Ca 0.29 2.59 0.39 0.00 0.21 0.00 0.00 52.86 56.34 1py1 s ASN 19 Cb 0.26 -2.57 2.15 0.00 -0.55 0.00 0.00 41.25 40.54 1py1 s ASN 19 CO 0.03 -0.91 2.30 -0.65 -2.79 0.00 0.00 177.10 175.07 1py1 h PRO 20 N 8.18 0.00 0.00 0.43 0.11 -1.88 -2.52 132.00 136.32 1py1 h PRO 20 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1py1 h PRO 20 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1py1 h PRO 20 CO 0.93 0.01 0.00 1.28 -0.21 0.00 0.00 178.00 180.01 1py1 n LEU 21 N -3.31 0.74 -4.68 2.35 4.77 -1.26 -4.87 117.00 110.73 1py1 n LEU 21 Ca -0.03 0.59 -0.44 0.00 -0.03 0.00 0.00 56.01 56.10 1py1 n LEU 21 Cb 0.10 -0.38 -0.04 0.00 -2.33 0.00 0.00 43.42 40.78 1py1 n LEU 21 CO 0.23 -0.24 1.44 0.59 -1.33 0.00 0.00 177.39 178.08 1py1 n ASN 22 N -2.21 3.80 0.16 -1.43 3.02 -0.95 -4.85 115.26 112.80 1py1 n ASN 22 Ca 0.05 1.00 0.13 0.00 -0.03 0.00 0.00 54.58 55.73 1py1 n ASN 22 Cb 0.39 -1.50 0.41 0.00 -0.61 0.00 0.00 39.78 38.47 1py1 n ASN 22 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 1py1 h LYS 23 N 8.25 0.00 -3.05 3.52 1.79 -1.92 -3.46 116.57 121.70 1py1 h LYS 23 Ca -0.46 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.05 1py1 h LYS 23 Cb 1.24 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.84 1py1 h LYS 23 CO 0.94 0.00 0.21 -1.83 -1.08 0.00 0.00 179.45 177.69 1py1 s GLU 24 N -3.25 1.87 0.25 3.15 1.03 -1.26 -5.15 118.70 115.33 1py1 s GLU 24 Ca 0.07 -1.10 -0.31 0.00 0.03 0.00 0.00 54.97 53.66 1py1 s GLU 24 Cb 0.10 0.60 -0.11 0.00 -0.80 0.00 0.00 34.13 33.92 1py1 s GLU 24 CO 0.56 -0.85 1.57 -0.51 -1.33 0.00 0.00 175.26 174.69 1py1 s LEU 25 N -2.96 4.36 -1.13 1.83 1.43 -1.26 -4.94 118.68 116.01 1py1 s LEU 25 Ca 0.13 2.81 -0.08 0.00 -1.03 0.00 0.00 54.13 55.95 1py1 s LEU 25 Cb -0.05 -3.62 0.27 0.00 0.03 0.00 0.00 46.19 42.82 1py1 s LEU 25 CO 0.08 -0.85 1.24 -0.67 0.23 0.00 0.00 176.35 176.38 1py1 n ASP 26 N 2.78 5.67 -0.13 2.29 4.64 -1.26 -4.88 116.55 125.66 1py1 n ASP 26 Ca 0.10 -3.11 0.17 0.00 -1.38 0.00 0.00 54.79 50.57 1py1 n ASP 26 Cb 0.38 -1.38 0.56 0.00 -1.04 0.00 0.00 41.12 39.64 1py1 n ASP 26 CO 0.00 0.00 0.00 -0.50 -0.82 0.00 0.00 177.20 175.88 1py1 h TRP 27 N 6.42 0.36 -0.85 -0.67 4.06 -1.97 -0.27 115.95 123.03 1py1 h TRP 27 Ca 0.20 0.01 0.08 0.00 2.06 0.00 0.00 58.89 61.25 1py1 h TRP 27 Cb 0.81 -0.11 -0.07 0.00 -1.00 0.00 0.00 29.16 28.79 1py1 h TRP 27 CO 0.85 0.13 0.50 0.00 -3.56 0.00 0.00 178.44 176.37 1py1 h ALA 28 N 1.66 1.20 0.23 1.49 0.00 -1.99 -0.52 119.26 121.32 1py1 h ALA 28 Ca 0.35 0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.97 1py1 h ALA 28 Cb 0.95 -0.17 0.03 0.00 0.00 0.00 0.00 17.79 18.60 1py1 h ALA 28 CO -0.09 0.17 -1.37 0.77 0.00 0.00 0.00 179.25 178.73 1py1 h SER 29 N 0.87 0.75 0.60 0.00 0.02 -1.49 -2.21 113.55 112.08 1py1 h SER 29 Ca 0.39 -0.93 -0.03 0.00 -0.84 0.00 0.00 61.79 60.39 1py1 h SER 29 Cb 0.30 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1py1 h SER 29 CO -0.22 1.65 -0.30 0.40 -1.14 0.00 0.00 176.83 177.22 1py1 h ILE 30 N 0.02 0.39 -0.11 3.27 2.04 -1.01 -0.35 117.51 121.76 1py1 h ILE 30 Ca -0.24 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.54 1py1 h ILE 30 Cb 2.05 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 1py1 h ILE 30 CO 0.24 0.00 -0.29 0.78 0.00 0.00 0.00 178.15 178.88 1py1 h ASN 31 N -0.82 0.20 -0.31 1.72 2.35 -1.24 -1.80 115.58 115.67 1py1 h ASN 31 Ca -0.08 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.59 1py1 h ASN 31 Cb 0.64 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.94 1py1 h ASN 31 CO 0.13 0.49 0.14 1.23 -1.65 0.00 0.00 177.43 177.76 1py1 h GLY 32 N 1.00 0.54 1.54 2.83 0.00 -1.13 -1.44 103.07 106.41 1py1 h GLY 32 Ca 0.03 -0.25 -0.16 0.00 0.00 0.00 0.00 47.33 46.95 1py1 h GLY 32 CO 0.04 0.24 -0.57 -2.75 0.00 0.00 0.00 176.54 173.50 1py1 h PHE 33 N 0.51 0.61 -0.13 5.60 3.04 -0.19 -2.23 116.94 124.15 1py1 h PHE 33 Ca 0.13 -0.22 -0.16 0.00 3.98 0.00 0.00 57.97 61.69 1py1 h PHE 33 Cb 0.11 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 38.50 1py1 h PHE 33 CO 0.00 0.94 -0.59 0.00 -2.02 0.00 0.00 178.31 176.65 1py1 h GLU 35 N 0.33 0.65 -0.05 0.00 5.08 -1.19 -3.26 114.58 116.14 1py1 h GLU 35 Ca -0.00 -0.23 -0.19 0.00 -1.00 0.00 0.00 59.36 57.93 1py1 h GLU 35 Cb 1.12 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 1py1 h GLU 35 CO 0.10 0.80 -0.79 0.37 -1.00 0.00 0.00 179.01 178.50 1py1 h GLN 36 N 0.45 0.37 0.00 2.33 4.15 -1.41 -3.15 115.11 117.85 1py1 h GLN 36 Ca 0.09 -0.33 0.00 0.00 0.77 0.00 0.00 58.65 59.18 1py1 h GLN 36 Cb 0.54 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.30 1py1 h GLN 36 CO 0.03 0.98 0.00 1.37 -1.93 0.00 0.00 178.83 179.28 1py1 h LEU 37 N 0.24 0.00 0.00 -2.39 8.10 -1.43 -1.12 115.31 118.70 1py1 h LEU 37 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.95 1py1 h LEU 37 Cb 1.38 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.60 1py1 h LEU 37 CO 0.13 0.00 -1.75 0.59 -4.11 0.00 0.00 178.44 173.30 1py1 n ASN 38 N -2.38 0.21 0.00 0.17 3.02 -1.19 -3.02 115.26 112.07 1py1 n ASN 38 Ca -0.01 0.01 0.06 0.00 -0.03 0.00 0.00 54.58 54.61 1py1 n ASN 38 Cb 0.05 1.64 0.31 0.00 -0.61 0.00 0.00 39.78 41.17 1py1 n ASN 38 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1py1 n GLU 39 N -2.29 0.12 -4.21 3.52 1.02 -0.42 -4.65 120.64 113.72 1py1 n GLU 39 Ca -0.03 0.20 -0.16 0.00 -0.02 0.00 0.00 57.16 57.15 1py1 n GLU 39 Cb 0.55 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.33 1py1 n GLU 39 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1py1 s ASP 40 N -2.73 0.78 0.00 1.62 2.15 -1.25 -5.03 116.67 112.21 1py1 s ASP 40 Ca 0.10 -0.15 0.20 0.00 0.43 0.00 0.00 52.55 53.13 1py1 s ASP 40 Cb 0.09 -0.08 0.95 0.00 -0.30 0.00 0.00 42.92 43.59 1py1 s ASP 40 CO 0.21 0.06 1.63 2.22 -0.17 0.00 0.00 175.17 179.12 1py1 n PHE 41 N 2.79 0.00 -0.04 -5.34 1.16 -1.26 -2.78 117.46 112.00 1py1 n PHE 41 Ca -0.14 0.00 0.01 0.00 -1.87 0.00 0.00 57.45 55.45 1py1 n PHE 41 Cb 0.57 -0.36 -0.15 0.00 -1.61 0.00 0.00 39.48 37.94 1py1 n PHE 41 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 1py1 n GLU 42 N -1.36 0.66 -0.04 3.97 4.07 -1.26 -4.68 120.64 122.00 1py1 n GLU 42 Ca 0.08 -0.05 -0.12 0.00 -0.06 0.00 0.00 57.16 57.01 1py1 n GLU 42 Cb 0.18 -1.57 -0.08 0.00 -0.06 0.00 0.00 31.44 29.91 1py1 n GLU 42 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 1py1 h GLY 43 N 3.96 -1.19 -0.95 8.31 0.00 -1.69 -2.99 103.07 108.52 1py1 h GLY 43 Ca -0.24 0.70 0.16 0.00 0.00 0.00 0.00 47.33 47.95 1py1 h GLY 43 CO 0.02 -0.26 -0.34 -2.55 0.00 0.00 0.00 176.54 173.41 1py1 h PRO 44 N -0.42 -0.01 0.00 4.80 0.11 -1.75 0.55 132.00 135.28 1py1 h PRO 44 Ca 0.04 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.08 1py1 h PRO 44 Cb 0.53 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 1py1 h PRO 44 CO -0.40 -0.01 -0.32 -1.35 -0.21 0.00 0.00 178.00 175.72 1py1 h PRO 45 N -0.01 0.00 0.16 1.05 0.11 -1.87 -2.52 132.00 128.91 1py1 h PRO 45 Ca 0.38 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 66.19 1py1 h PRO 45 Cb 0.63 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.77 1py1 h PRO 45 CO -0.98 0.32 -1.30 1.25 -0.21 0.00 0.00 178.00 177.08 1py1 h LEU 46 N 0.00 0.72 -0.87 2.35 7.12 -0.24 -3.20 115.31 121.20 1py1 h LEU 46 Ca -0.00 -0.72 -0.05 0.00 0.13 0.00 0.00 57.88 57.24 1py1 h LEU 46 Cb 0.62 -0.23 -0.03 0.00 -0.53 0.00 0.00 40.66 40.49 1py1 h LEU 46 CO 0.04 1.55 0.24 0.00 -0.13 0.00 0.00 178.44 180.14 1py1 h ALA 47 N 0.36 1.09 -0.08 1.25 0.00 -0.00 -1.94 119.26 119.94 1py1 h ALA 47 Ca -0.19 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1py1 h ALA 47 Cb 1.99 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1py1 h ALA 47 CO 0.24 0.63 -0.30 1.79 0.00 0.00 0.00 179.25 181.61 1py1 h THR 48 N 1.05 1.25 -0.08 0.00 1.35 -1.53 0.21 112.91 115.15 1py1 h THR 48 Ca 0.23 -1.17 -0.19 0.00 -0.55 0.00 0.00 66.41 64.73 1py1 h THR 48 Cb 0.26 1.52 -0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1py1 h THR 48 CO -0.01 0.35 -0.76 0.03 -0.25 0.00 0.00 175.52 174.88 1py1 h ARG 49 N 0.14 0.46 -0.45 4.72 3.08 -1.45 -1.40 114.38 119.48 1py1 h ARG 49 Ca 0.02 -0.39 -0.14 0.00 0.07 0.00 0.00 59.98 59.54 1py1 h ARG 49 Cb 0.61 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 1py1 h ARG 49 CO 0.04 1.02 -0.29 -0.07 -1.07 0.00 0.00 179.97 179.61 1py1 h LEU 50 N 0.31 1.02 -0.41 3.04 3.38 -0.96 -2.68 115.31 119.03 1py1 h LEU 50 Ca -0.04 -0.42 -0.09 0.00 0.09 0.00 0.00 57.88 57.42 1py1 h LEU 50 Cb 1.34 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1py1 h LEU 50 CO 0.13 1.23 -0.10 -0.07 0.09 0.00 0.00 178.44 179.72 1py1 h LEU 51 N 0.83 0.79 -1.17 1.67 3.38 -0.91 -2.22 115.31 117.67 1py1 h LEU 51 Ca 0.09 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.73 1py1 h LEU 51 Cb 0.88 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 1py1 h LEU 51 CO 0.08 0.97 0.57 0.00 0.09 0.00 0.00 178.44 180.14 1py1 h ALA 52 N 0.85 1.46 -0.40 1.53 0.00 -1.23 0.42 119.26 121.89 1py1 h ALA 52 Ca 0.10 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1py1 h ALA 52 Cb 0.62 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1py1 h ALA 52 CO 0.04 0.46 -0.23 1.25 0.00 0.00 0.00 179.25 180.77 1py1 h HIS 53 N 1.08 1.00 -0.40 0.00 -0.00 -1.35 -2.68 115.15 112.81 1py1 h HIS 53 Ca 0.34 -0.26 -0.09 0.00 -0.00 0.00 0.00 60.37 60.36 1py1 h HIS 53 Cb 0.01 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.18 1py1 h HIS 53 CO -0.00 1.04 -0.11 0.87 -0.00 0.00 0.00 177.93 179.73 1py1 h LYS 54 N 0.67 0.78 0.00 5.26 1.79 -0.69 -2.89 116.57 121.48 1py1 h LYS 54 Ca 0.08 -0.31 -0.00 0.00 -2.18 0.00 0.00 60.65 58.25 1py1 h LYS 54 Cb 0.80 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.41 1py1 h LYS 54 CO 0.07 0.92 -0.01 0.82 -1.08 0.00 0.00 179.45 180.17 1py1 h ILE 55 N 0.59 0.39 -0.62 1.86 2.04 -0.15 -1.63 117.51 119.99 1py1 h ILE 55 Ca 0.10 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.93 1py1 h ILE 55 Cb 0.64 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 1py1 h ILE 55 CO 0.04 0.01 0.00 0.00 0.00 0.00 0.00 178.15 178.20 1py1 n GLN 56 N -3.64 4.28 -2.37 2.37 6.02 -1.02 -4.76 117.38 118.27 1py1 n GLN 56 Ca -0.03 -3.00 -0.41 0.00 -0.01 0.00 0.00 57.00 53.56 1py1 n GLN 56 Cb 0.09 -2.07 -0.04 0.00 1.02 0.00 0.00 30.24 29.24 1py1 n GLN 56 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1py1 s SER 57 N -0.83 7.11 0.57 1.08 0.15 -0.61 -4.91 113.70 116.24 1py1 s SER 57 Ca 0.53 2.35 0.36 0.00 0.70 0.00 0.00 55.95 59.89 1py1 s SER 57 Cb 0.37 -2.63 1.57 0.00 -1.71 0.00 0.00 66.02 63.62 1py1 s SER 57 CO 0.21 -0.29 2.05 -0.65 1.20 0.00 0.00 173.24 175.76 1py1 h PRO 58 N 4.12 0.00 -5.83 5.44 0.11 -1.93 -3.40 132.00 130.51 1py1 h PRO 58 Ca -0.47 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.05 1py1 h PRO 58 Cb 1.22 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 32.21 1py1 h PRO 58 CO 0.69 0.00 0.91 -0.65 -0.21 0.00 0.00 178.00 178.74 1py1 s GLN 59 N -3.75 3.27 0.18 1.05 -0.21 -1.26 -4.93 119.66 114.00 1py1 s GLN 59 Ca 0.00 -0.77 -0.24 0.00 0.02 0.00 0.00 55.36 54.37 1py1 s GLN 59 Cb 0.10 -4.47 0.05 0.00 1.00 0.00 0.00 33.01 29.69 1py1 s GLN 59 CO 0.51 -2.00 1.44 -1.91 -2.12 0.00 0.00 175.29 171.21 1py1 n GLU 60 N 8.37 -0.33 0.12 2.91 2.13 -1.26 0.22 120.64 132.79 1py1 n GLU 60 Ca 0.08 1.42 0.19 0.00 0.66 0.00 0.00 57.16 59.51 1py1 n GLU 60 Cb 0.48 -2.09 0.76 0.00 0.27 0.00 0.00 31.44 30.86 1py1 n GLU 60 CO 0.00 0.00 0.00 2.35 -0.41 0.00 0.00 177.13 179.07 1py1 h TRP 61 N 0.00 0.00 0.01 4.31 -0.00 -1.95 0.70 115.95 119.03 1py1 h TRP 61 Ca 0.22 0.00 -0.07 0.00 -0.00 0.00 0.00 58.89 59.04 1py1 h TRP 61 Cb 0.45 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 29.62 1py1 h TRP 61 CO -0.90 0.00 -0.26 1.49 -0.00 0.00 0.00 178.44 178.76 1py1 h GLU 62 N 0.00 0.15 -0.41 2.65 4.81 -0.45 -2.67 114.58 118.67 1py1 h GLU 62 Ca 0.17 -0.19 -0.12 0.00 -0.13 0.00 0.00 59.36 59.09 1py1 h GLU 62 Cb 0.95 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 1py1 h GLU 62 CO -0.00 0.96 -0.24 0.00 -0.73 0.00 0.00 179.01 179.00 1py1 h ALA 63 N 0.20 0.82 0.11 2.92 0.00 -1.05 -1.94 119.26 120.33 1py1 h ALA 63 Ca -0.04 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1py1 h ALA 63 Cb 1.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1py1 h ALA 63 CO 0.05 0.65 -0.05 0.82 0.00 0.00 0.00 179.25 180.71 1py1 h ILE 64 N 0.71 0.98 -0.79 0.00 1.08 -1.00 0.21 117.51 118.70 1py1 h ILE 64 Ca 0.09 -0.36 0.01 0.00 -0.39 0.00 0.00 64.86 64.21 1py1 h ILE 64 Cb 0.77 1.21 -0.04 0.00 -3.07 0.00 0.00 36.82 35.69 1py1 h ILE 64 CO 0.06 0.09 0.52 1.56 -0.69 0.00 0.00 178.15 179.69 1py1 h GLN 65 N -0.32 1.05 -0.67 2.37 4.20 -1.45 -0.62 115.11 119.67 1py1 h GLN 65 Ca -0.02 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 1py1 h GLN 65 Cb 0.26 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 1py1 h GLN 65 CO 0.03 0.70 0.35 0.00 -0.67 0.00 0.00 178.83 179.23 1py1 h ALA 66 N 1.50 1.35 -0.10 3.87 0.00 -1.04 0.18 119.26 125.02 1py1 h ALA 66 Ca 0.29 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 1py1 h ALA 66 Cb -0.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1py1 h ALA 66 CO -0.06 0.52 -0.46 -0.07 0.00 0.00 0.00 179.25 179.18 1py1 h LEU 67 N 0.94 0.27 -0.83 0.00 3.38 0.51 -0.52 115.31 119.06 1py1 h LEU 67 Ca 0.24 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.97 1py1 h LEU 67 Cb 0.05 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1py1 h LEU 67 CO -0.04 0.69 -0.35 0.74 0.09 0.00 0.00 178.44 179.58 1py1 h THR 68 N 0.20 1.29 -0.31 0.22 2.02 -0.32 -0.48 112.91 115.53 1py1 h THR 68 Ca 0.01 -1.45 -0.06 0.00 0.77 0.00 0.00 66.41 65.67 1py1 h THR 68 Cb 0.90 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.81 1py1 h THR 68 CO 0.07 0.45 -0.06 0.58 0.37 0.00 0.00 175.52 176.94 1py1 h VAL 69 N 0.39 1.28 -0.63 3.16 2.07 -0.58 -1.02 116.25 120.92 1py1 h VAL 69 Ca 0.04 -1.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.44 1py1 h VAL 69 Cb 0.80 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 1py1 h VAL 69 CO 0.06 0.35 0.21 0.25 0.02 0.00 0.00 177.57 178.47 1py1 h LEU 70 N 0.36 0.90 -0.19 2.57 5.85 -0.94 -1.48 115.31 122.37 1py1 h LEU 70 Ca 0.08 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 1py1 h LEU 70 Cb 0.54 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1py1 h LEU 70 CO 0.03 0.85 0.11 -0.08 -0.34 0.00 0.00 178.44 179.01 1py1 h GLU 71 N 0.89 0.27 -0.10 1.25 4.81 -1.02 -1.97 114.58 118.71 1py1 h GLU 71 Ca 0.20 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1py1 h GLU 71 Cb 0.26 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 1py1 h GLU 71 CO -0.01 0.25 0.04 1.15 -0.73 0.00 0.00 179.01 179.71 1py1 h THR 72 N 0.21 1.16 -0.12 0.32 2.02 -1.05 -2.73 112.91 112.72 1py1 h THR 72 Ca 0.07 -0.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.77 1py1 h THR 72 Cb 0.06 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 1py1 h THR 72 CO -0.01 0.14 0.04 0.00 0.37 0.00 0.00 175.52 176.05 1py1 h MET 74 N 0.17 0.82 -0.26 0.00 2.07 -1.06 -0.70 114.93 115.96 1py1 h MET 74 Ca 0.04 -0.17 -0.11 0.00 -2.07 0.00 0.00 59.70 57.39 1py1 h MET 74 Cb 0.06 -0.12 -0.00 0.00 -1.87 0.00 0.00 31.60 29.67 1py1 h MET 74 CO -0.00 0.75 -0.27 0.87 1.07 0.00 0.00 176.91 179.33 1py1 h LYS 75 N 0.72 0.65 0.35 1.72 1.57 -1.13 -3.37 116.57 117.07 1py1 h LYS 75 Ca 0.17 -0.34 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1py1 h LYS 75 Cb 0.27 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1py1 h LYS 75 CO -0.01 0.95 -0.17 0.77 -0.57 0.00 0.00 179.45 180.43 1py1 h SER 76 N 0.37 -0.39 -4.20 0.86 0.02 -1.08 -3.47 113.55 105.66 1py1 h SER 76 Ca 0.04 0.01 -0.50 0.00 -0.84 0.00 0.00 61.79 60.51 1py1 h SER 76 Cb 0.84 0.10 0.14 0.00 0.14 0.00 0.00 62.40 63.62 1py1 h SER 76 CO 0.07 -0.14 0.29 0.00 -1.14 0.00 0.00 176.83 175.90 1py1 n GLY 78 N -1.18 1.78 0.23 0.00 0.00 -1.26 -4.82 105.19 99.93 1py1 n GLY 78 Ca 0.08 -1.74 0.04 0.00 0.00 0.00 0.00 46.02 44.40 1py1 n GLY 78 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1py1 h LYS 79 N 0.00 0.08 -0.56 1.61 3.64 -1.98 -1.14 116.57 118.22 1py1 h LYS 79 Ca 0.00 -0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.47 1py1 h LYS 79 Cb 0.00 -0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 31.70 1py1 h LYS 79 CO 0.00 0.26 -0.29 0.00 -2.27 0.00 0.00 179.45 177.16 1py1 h ARG 80 N 0.07 -0.14 0.15 1.90 3.08 -2.01 0.26 114.38 117.70 1py1 h ARG 80 Ca 0.01 0.01 -0.25 0.00 0.07 0.00 0.00 59.98 59.82 1py1 h ARG 80 Cb 0.37 0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.46 1py1 h ARG 80 CO 0.03 -0.09 -1.21 0.35 -1.07 0.00 0.00 179.97 177.98 1py1 h PHE 81 N -0.14 0.58 -0.94 3.04 3.57 -1.89 -3.34 116.94 117.81 1py1 h PHE 81 Ca 0.24 -0.42 0.21 0.00 3.53 0.00 0.00 57.97 61.52 1py1 h PHE 81 Cb 0.53 -0.02 -0.11 0.00 2.79 0.00 0.00 35.95 39.13 1py1 h PHE 81 CO -0.58 1.47 0.51 0.45 -2.23 0.00 0.00 178.31 177.92 1py1 h HIS 82 N -0.24 0.88 -0.60 0.41 3.86 -0.93 -0.01 115.15 118.51 1py1 h HIS 82 Ca -0.24 0.04 -0.07 0.00 -1.16 0.00 0.00 60.37 58.94 1py1 h HIS 82 Cb 1.79 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 30.00 1py1 h HIS 82 CO 0.15 0.09 0.10 -0.44 0.86 0.00 0.00 177.93 178.70 1py1 h ASP 83 N 0.58 0.92 -0.44 2.45 3.45 -1.09 -0.18 116.42 122.11 1py1 h ASP 83 Ca 0.57 -0.20 -0.09 0.00 0.43 0.00 0.00 57.03 57.74 1py1 h ASP 83 Cb 1.00 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 39.51 1py1 h ASP 83 CO -0.45 0.91 -0.08 -0.08 -1.57 0.00 0.00 179.24 177.97 1py1 h GLU 84 N 0.91 0.82 0.00 3.56 4.57 -1.15 -2.47 114.58 120.83 1py1 h GLU 84 Ca 0.19 -0.30 -0.06 0.00 -1.18 0.00 0.00 59.36 58.00 1py1 h GLU 84 Cb 0.39 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 1py1 h GLU 84 CO 0.01 0.93 -0.29 0.28 -1.18 0.00 0.00 179.01 178.75 1py1 h VAL 85 N 0.65 0.67 -0.04 0.32 2.07 -1.28 -2.91 116.25 115.73 1py1 h VAL 85 Ca 0.11 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.28 1py1 h VAL 85 Cb 0.61 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1py1 h VAL 85 CO 0.04 0.29 0.00 0.61 0.02 0.00 0.00 177.57 178.52 1py1 n GLY 86 N 0.31 -0.73 3.92 2.17 0.00 -0.09 -4.27 105.19 106.50 1py1 n GLY 86 Ca 0.00 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1py1 n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1py1 s LYS 87 N -1.95 3.50 0.57 1.61 1.02 -1.08 -4.41 119.74 119.00 1py1 s LYS 87 Ca 0.24 -0.35 0.33 0.00 0.02 0.00 0.00 55.97 56.21 1py1 s LYS 87 Cb 0.11 -2.96 1.68 0.00 -0.52 0.00 0.00 37.83 36.14 1py1 s LYS 87 CO 0.19 0.55 2.13 0.74 -0.92 0.00 0.00 175.35 178.03 1py1 h PHE 88 N 2.84 0.00 -0.62 3.18 0.04 -1.89 0.83 116.94 121.32 1py1 h PHE 88 Ca -0.46 0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.45 1py1 h PHE 88 Cb 1.17 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.28 1py1 h PHE 88 CO 0.60 0.06 0.42 -0.09 -0.60 0.00 0.00 178.31 178.71 1py1 h ARG 89 N 0.00 0.22 0.00 1.51 2.43 -1.93 0.23 114.38 116.84 1py1 h ARG 89 Ca -0.00 -0.01 -0.38 0.00 -0.81 0.00 0.00 59.98 58.78 1py1 h ARG 89 Cb 0.29 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.72 1py1 h ARG 89 CO 0.01 0.15 -2.39 0.34 -1.51 0.00 0.00 179.97 176.57 1py1 n PHE 90 N -4.43 0.00 0.01 2.20 7.35 -0.53 -4.40 117.46 117.65 1py1 n PHE 90 Ca 0.11 0.00 0.10 0.00 -0.76 0.00 0.00 57.45 56.90 1py1 n PHE 90 Cb 0.53 -0.93 0.52 0.00 0.35 0.00 0.00 39.48 39.95 1py1 n PHE 90 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1py1 h LEU 91 N -0.19 0.30 -1.11 -2.13 3.38 -0.65 -0.28 115.31 114.63 1py1 h LEU 91 Ca -0.56 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1py1 h LEU 91 Cb 1.78 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 42.42 1py1 h LEU 91 CO -0.15 0.20 0.56 0.78 0.09 0.00 0.00 178.44 179.92 1py1 h ASN 92 N 0.35 1.02 -0.85 -0.43 2.35 -0.77 -0.14 115.58 117.11 1py1 h ASN 92 Ca 0.19 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1py1 h ASN 92 Cb 0.30 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.38 1py1 h ASN 92 CO -0.04 0.75 0.52 -0.33 -1.65 0.00 0.00 177.43 176.68 1py1 h GLU 93 N 1.19 1.14 -0.27 0.81 4.39 -1.25 -0.00 114.58 120.58 1py1 h GLU 93 Ca 0.32 -0.10 -0.10 0.00 0.34 0.00 0.00 59.36 59.82 1py1 h GLU 93 Cb -0.11 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.28 1py1 h GLU 93 CO -0.07 0.80 -0.25 -0.07 -1.16 0.00 0.00 179.01 178.26 1py1 h LEU 94 N 1.16 0.53 -0.55 1.33 3.38 -1.21 -2.89 115.31 117.06 1py1 h LEU 94 Ca 0.30 -0.18 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 1py1 h LEU 94 Cb -0.06 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1py1 h LEU 94 CO -0.06 0.78 -0.36 0.40 0.09 0.00 0.00 178.44 179.29 1py1 h ILE 95 N 0.46 1.28 0.00 1.22 2.04 -0.25 -2.73 117.51 119.54 1py1 h ILE 95 Ca 0.07 -1.52 -0.04 0.00 1.00 0.00 0.00 64.86 64.36 1py1 h ILE 95 Cb 0.69 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1py1 h ILE 95 CO 0.05 0.50 -0.21 0.11 0.00 0.00 0.00 178.15 178.60 1py1 h LYS 96 N 0.65 0.00 -0.10 2.37 1.57 -0.93 0.36 116.57 120.49 1py1 h LYS 96 Ca 0.06 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.67 1py1 h LYS 96 Cb 0.91 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.21 1py1 h LYS 96 CO 0.08 0.21 -0.67 0.28 -0.57 0.00 0.00 179.45 178.79 1py1 h VAL 97 N 0.00 1.37 0.00 0.50 2.07 -1.28 -2.39 116.25 116.51 1py1 h VAL 97 Ca -0.00 -2.04 0.00 0.00 0.82 0.00 0.00 66.70 65.48 1py1 h VAL 97 Cb 0.39 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1py1 h VAL 97 CO 0.03 0.62 -1.79 1.33 0.02 0.00 0.00 177.57 177.77 1py1 n VAL 98 N -3.87 0.00 -2.77 2.57 0.24 -1.11 -3.39 118.33 110.01 1py1 n VAL 98 Ca -0.04 -0.41 -0.42 0.00 -2.04 0.00 0.00 64.34 61.43 1py1 n VAL 98 Cb 0.67 0.15 -0.03 0.00 -1.47 0.00 0.00 33.84 33.16 1py1 n VAL 98 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1py1 s SER 99 N -4.10 7.09 0.44 -1.34 0.15 0.12 -4.69 113.70 111.38 1py1 s SER 99 Ca -0.06 1.35 0.20 0.00 0.70 0.00 0.00 55.95 58.14 1py1 s SER 99 Cb 0.13 -2.51 1.17 0.00 -1.71 0.00 0.00 66.02 63.09 1py1 s SER 99 CO 0.80 -0.48 1.87 -0.65 1.20 0.00 0.00 173.24 175.98 1py1 h PRO 100 N 7.28 0.31 0.00 5.44 0.11 -1.89 0.19 132.00 143.44 1py1 h PRO 100 Ca -0.28 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1py1 h PRO 100 Cb 1.12 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1py1 h PRO 100 CO 0.88 0.21 0.01 1.63 -0.21 0.00 0.00 178.00 180.51 1py1 n LYS 101 N -4.47 0.00 0.00 1.05 5.02 -1.26 -4.36 118.16 114.14 1py1 n LYS 101 Ca 0.19 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 1py1 n LYS 101 Cb 0.74 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 34.24 1py1 n LYS 101 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1py1 n TYR 102 N -1.29 0.00 0.14 2.13 4.02 0.63 -4.98 117.16 117.81 1py1 n TYR 102 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 57.90 57.94 1py1 n TYR 102 Cb 0.01 0.00 0.29 0.00 -0.02 0.00 0.00 39.34 39.62 1py1 n TYR 102 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1py1 n LEU 103 N 0.00 0.27 -0.34 7.72 4.32 -0.91 -3.37 117.00 124.68 1py1 n LEU 103 Ca 0.00 0.50 -0.02 0.00 -0.02 0.00 0.00 56.01 56.47 1py1 n LEU 103 Cb 0.00 -0.44 0.03 0.00 -1.62 0.00 0.00 43.42 41.38 1py1 n LEU 103 CO 0.00 -0.59 0.51 0.61 -1.22 0.00 0.00 177.39 176.70 1py1 n GLY 104 N -1.27 -1.87 0.28 -0.72 0.00 -1.01 -0.49 105.19 100.10 1py1 n GLY 104 Ca -0.01 1.00 -0.00 0.00 0.00 0.00 0.00 46.02 47.01 1py1 n GLY 104 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1py1 h SER 105 N 0.00 0.65 -0.28 1.61 0.02 -1.75 -2.58 113.55 111.22 1py1 h SER 105 Ca 0.29 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 1py1 h SER 105 Cb 0.52 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1py1 h SER 105 CO -0.88 0.41 0.00 0.54 -1.14 0.00 0.00 176.83 175.76 1py1 n ARG 106 N -4.73 2.87 -5.27 3.45 1.74 0.36 -4.90 116.66 110.17 1py1 n ARG 106 Ca 0.10 -1.51 -0.31 0.00 -0.77 0.00 0.00 57.85 55.36 1py1 n ARG 106 Cb 0.19 -1.87 -0.16 0.00 -1.02 0.00 0.00 32.46 29.60 1py1 n ARG 106 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1py1 s THR 107 N -1.84 2.10 0.28 0.55 2.01 -0.87 -5.05 115.64 112.81 1py1 s THR 107 Ca 0.26 -1.07 -0.30 0.00 0.31 0.00 0.00 61.69 60.89 1py1 s THR 107 Cb 0.20 -1.74 -0.11 0.00 0.01 0.00 0.00 72.50 70.86 1py1 s THR 107 CO 0.08 0.58 1.54 -0.94 -0.69 0.00 0.00 174.62 175.18 1py1 s SER 108 N -0.40 6.48 0.56 3.53 1.04 -1.26 -4.84 113.70 118.81 1py1 s SER 108 Ca 0.04 2.84 0.27 0.00 0.48 0.00 0.00 55.95 59.58 1py1 s SER 108 Cb -0.12 -2.63 1.49 0.00 0.10 0.00 0.00 66.02 64.86 1py1 s SER 108 CO 0.01 -0.83 1.99 -0.33 0.98 0.00 0.00 173.24 175.06 1py1 h GLU 109 N 4.92 0.00 0.41 4.02 4.39 -1.98 -1.04 114.58 125.30 1py1 h GLU 109 Ca -0.47 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.21 1py1 h GLU 109 Cb 1.22 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1py1 h GLU 109 CO 0.79 0.00 -0.20 -0.22 -1.16 0.00 0.00 179.01 178.22 1py1 h LYS 110 N 0.00 -0.53 0.09 2.33 3.64 -1.99 -0.18 116.57 119.92 1py1 h LYS 110 Ca 0.20 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1py1 h LYS 110 Cb 0.93 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1py1 h LYS 110 CO -0.00 -0.28 -0.04 0.28 -2.27 0.00 0.00 179.45 177.14 1py1 h VAL 111 N -0.70 0.96 -0.58 2.00 2.07 -1.67 -1.47 116.25 116.87 1py1 h VAL 111 Ca -0.06 -0.16 0.07 0.00 0.82 0.00 0.00 66.70 67.38 1py1 h VAL 111 Cb 0.50 1.06 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 1py1 h VAL 111 CO 0.09 0.04 0.25 0.11 0.02 0.00 0.00 177.57 178.08 1py1 h LYS 112 N -0.19 0.44 -0.22 1.57 1.57 -1.22 -0.52 116.57 118.01 1py1 h LYS 112 Ca -0.01 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 1py1 h LYS 112 Cb 0.16 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1py1 h LYS 112 CO 0.02 0.29 -0.23 -0.91 -0.57 0.00 0.00 179.45 178.05 1py1 h ASN 113 N 0.46 0.40 -0.47 0.86 2.35 -0.94 -2.07 115.58 116.16 1py1 h ASN 113 Ca 0.28 -0.13 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 1py1 h ASN 113 Cb 0.28 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 1py1 h ASN 113 CO -0.25 0.64 0.21 0.50 -1.65 0.00 0.00 177.43 176.88 1py1 h LYS 114 N 0.36 0.69 -0.68 0.81 1.63 -0.09 -0.42 116.57 118.86 1py1 h LYS 114 Ca 0.06 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1py1 h LYS 114 Cb 0.61 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 32.09 1py1 h LYS 114 CO 0.04 0.60 0.44 0.82 -3.45 0.00 0.00 179.45 177.90 1py1 h ILE 115 N 0.61 1.19 -0.21 2.00 2.04 -0.92 -1.52 117.51 120.70 1py1 h ILE 115 Ca 0.16 -0.37 -0.08 0.00 1.00 0.00 0.00 64.86 65.57 1py1 h ILE 115 Cb 0.15 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 1py1 h ILE 115 CO -0.02 0.19 -0.21 -0.07 0.00 0.00 0.00 178.15 178.04 1py1 h LEU 116 N 0.93 0.37 -0.21 1.44 3.38 -1.09 0.10 115.31 120.23 1py1 h LEU 116 Ca 0.25 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1py1 h LEU 116 Cb -0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1py1 h LEU 116 CO -0.05 0.59 -0.08 -0.33 0.09 0.00 0.00 178.44 178.66 1py1 h GLU 117 N 0.34 0.42 0.17 1.13 5.08 -0.61 -2.36 114.58 118.76 1py1 h GLU 117 Ca 0.06 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 1py1 h GLU 117 Cb 0.56 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1py1 h GLU 117 CO 0.04 0.69 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.59 1py1 h LEU 118 N 0.14 -0.19 -0.66 1.33 3.38 -1.06 0.02 115.31 118.27 1py1 h LEU 118 Ca 0.05 -0.18 0.14 0.00 0.09 0.00 0.00 57.88 57.98 1py1 h LEU 118 Cb 0.55 0.05 -0.12 0.00 0.09 0.00 0.00 40.66 41.23 1py1 h LEU 118 CO 0.03 0.07 -0.11 -0.07 0.09 0.00 0.00 178.44 178.45 1py1 h LEU 119 N -0.46 -0.51 -0.33 1.67 3.38 -0.84 -0.39 115.31 117.83 1py1 h LEU 119 Ca -0.02 0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1py1 h LEU 119 Cb 0.36 0.37 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1py1 h LEU 119 CO 0.04 -0.19 0.07 0.22 0.09 0.00 0.00 178.44 178.67 1py1 h TYR 120 N 0.03 0.56 0.00 1.13 3.20 -1.29 -2.61 116.97 118.00 1py1 h TYR 120 Ca 0.33 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 62.13 1py1 h TYR 120 Cb 0.52 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.63 1py1 h TYR 120 CO -0.49 0.58 0.01 0.66 -1.64 0.00 0.00 178.16 177.29 1py1 h SER 121 N 0.38 0.00 0.38 -2.11 4.64 0.66 -1.11 113.55 116.39 1py1 h SER 121 Ca 0.10 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.11 1py1 h SER 121 Cb 0.31 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.35 1py1 h SER 121 CO 0.00 0.00 -1.82 0.79 -0.87 0.00 0.00 176.83 174.93 1py1 n TRP 122 N -2.32 0.97 0.28 4.77 8.01 -0.67 -2.30 117.44 126.19 1py1 n TRP 122 Ca -0.02 0.31 0.13 0.00 -1.31 0.00 0.00 57.50 56.62 1py1 n TRP 122 Cb 0.05 -1.17 0.81 0.00 -2.01 0.00 0.00 31.31 28.99 1py1 n TRP 122 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.69 177.83 1py1 h THR 123 N 0.01 0.65 0.03 -0.99 2.02 -0.99 0.29 112.91 113.93 1py1 h THR 123 Ca -0.34 -0.15 -0.30 0.00 0.77 0.00 0.00 66.41 66.39 1py1 h THR 123 Cb 2.03 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 69.50 1py1 h THR 123 CO 0.08 0.04 -1.66 0.52 0.37 0.00 0.00 175.52 174.87 1py1 n VAL 124 N -3.94 1.60 0.14 3.16 0.31 -1.13 -3.69 118.33 114.78 1py1 n VAL 124 Ca -0.03 -0.25 0.02 0.00 -0.01 0.00 0.00 64.34 64.07 1py1 n VAL 124 Cb 0.12 -1.92 0.09 0.00 -0.91 0.00 0.00 33.84 31.22 1py1 n VAL 124 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1py1 h GLY 125 N -0.35 0.00 -5.70 2.92 0.00 -1.36 -3.36 103.07 95.22 1py1 h GLY 125 Ca -0.42 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.38 1py1 h GLY 125 CO -0.16 0.00 -0.94 1.04 0.00 0.00 0.00 176.54 176.48 1py1 n LEU 126 N -3.32 2.45 0.24 3.11 4.77 1.00 -4.93 117.00 120.31 1py1 n LEU 126 Ca 0.01 -5.30 0.17 0.00 -0.03 0.00 0.00 56.01 50.86 1py1 n LEU 126 Cb 0.70 0.14 0.87 0.00 -2.33 0.00 0.00 43.42 42.81 1py1 n LEU 126 CO 0.40 2.31 1.14 1.55 -1.33 0.00 0.00 177.39 181.47 1py1 h PRO 127 N 3.04 0.00 -0.04 3.23 0.13 -1.66 -1.76 132.00 134.94 1py1 h PRO 127 Ca 0.11 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.26 1py1 h PRO 127 Cb 0.76 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 1py1 h PRO 127 CO 0.64 0.00 0.03 0.93 -0.23 0.00 0.00 178.00 179.37 1py1 h GLU 128 N 0.00 0.00 -5.20 0.86 3.07 -1.91 -3.33 114.58 108.06 1py1 h GLU 128 Ca 0.05 0.00 -0.57 0.00 -0.50 0.00 0.00 59.36 58.34 1py1 h GLU 128 Cb 0.33 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.20 1py1 h GLU 128 CO -0.00 0.00 2.03 0.39 -1.40 0.00 0.00 179.01 180.03 1py1 n GLU 129 N -4.50 2.38 -0.33 2.33 -0.58 -0.66 -4.79 120.64 114.48 1py1 n GLU 129 Ca -0.02 -2.69 0.21 0.00 -0.42 0.00 0.00 57.16 54.25 1py1 n GLU 129 Cb 0.13 -3.44 0.48 0.00 -0.57 0.00 0.00 31.44 28.03 1py1 n GLU 129 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 1py1 h VAL 130 N 5.31 0.54 -0.14 2.62 -1.51 -1.85 -1.99 116.25 119.22 1py1 h VAL 130 Ca 0.39 -0.15 0.01 0.00 -1.23 0.00 0.00 66.70 65.72 1py1 h VAL 130 Cb 0.82 0.06 -0.01 0.00 -2.13 0.00 0.00 31.29 30.02 1py1 h VAL 130 CO 1.54 0.08 0.05 0.11 -1.23 0.00 0.00 177.57 178.13 1py1 h LYS 131 N 0.45 0.12 -0.25 5.19 1.79 -1.87 -1.52 116.57 120.48 1py1 h LYS 131 Ca 0.60 -0.01 0.06 0.00 -2.18 0.00 0.00 60.65 59.12 1py1 h LYS 131 Cb 1.42 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 31.98 1py1 h LYS 131 CO -0.33 0.08 -0.15 0.82 -1.08 0.00 0.00 179.45 178.79 1py1 h ILE 132 N 0.12 0.55 -1.00 1.86 2.04 -1.57 -0.23 117.51 119.29 1py1 h ILE 132 Ca 0.06 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.94 1py1 h ILE 132 Cb 0.03 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 36.60 1py1 h ILE 132 CO -0.05 0.00 0.66 0.00 0.00 0.00 0.00 178.15 178.76 1py1 h ALA 133 N 1.04 1.32 -0.20 1.87 0.00 -1.49 -0.68 119.26 121.12 1py1 h ALA 133 Ca 0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1py1 h ALA 133 Cb 0.34 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1py1 h ALA 133 CO -0.33 0.60 0.06 1.49 0.00 0.00 0.00 179.25 181.07 1py1 h GLU 134 N 1.30 0.32 -0.06 0.00 4.81 -0.56 -0.30 114.58 120.09 1py1 h GLU 134 Ca 0.39 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1py1 h GLU 134 Cb -0.05 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 1py1 h GLU 134 CO -0.11 0.42 0.04 0.00 -0.73 0.00 0.00 179.01 178.63 1py1 h ALA 135 N 0.89 0.08 -0.64 2.92 0.00 -0.79 -1.53 119.26 120.19 1py1 h ALA 135 Ca 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1py1 h ALA 135 Cb 0.23 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1py1 h ALA 135 CO -0.00 -0.41 0.36 -0.92 0.00 0.00 0.00 179.25 178.28 1py1 h TYR 136 N 0.06 0.87 -0.88 0.00 3.20 -1.07 -2.08 116.97 117.07 1py1 h TYR 136 Ca 0.02 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.90 1py1 h TYR 136 Cb 0.02 -0.28 -0.05 0.00 1.54 0.00 0.00 36.73 37.97 1py1 h TYR 136 CO -0.06 0.62 0.58 0.37 -1.64 0.00 0.00 178.16 178.02 1py1 h GLN 137 N 0.87 1.12 0.03 1.82 5.75 -0.88 -1.78 115.11 122.05 1py1 h GLN 137 Ca 0.23 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.66 1py1 h GLN 137 Cb 0.02 -0.25 0.00 0.00 1.07 0.00 0.00 27.48 28.32 1py1 h GLN 137 CO -0.04 0.74 -0.02 1.98 -2.65 0.00 0.00 178.83 178.85 1py1 h MET 138 N 1.16 -0.04 -0.61 1.69 4.05 -0.62 -1.48 114.93 119.08 1py1 h MET 138 Ca 0.33 0.00 0.16 0.00 -0.28 0.00 0.00 59.70 59.91 1py1 h MET 138 Cb -0.08 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 30.70 1py1 h MET 138 CO -0.08 0.08 0.43 -0.07 0.23 0.00 0.00 176.91 177.50 1py1 h LEU 139 N -0.16 0.12 -0.10 3.39 3.38 -1.02 0.23 115.31 121.15 1py1 h LEU 139 Ca -0.00 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1py1 h LEU 139 Cb 0.15 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.89 1py1 h LEU 139 CO 0.01 0.06 -0.61 0.50 0.09 0.00 0.00 178.44 178.49 1py1 h LYS 140 N 0.13 0.60 0.00 1.13 3.64 -0.83 -1.08 116.57 120.15 1py1 h LYS 140 Ca 0.29 -0.50 -0.05 0.00 -1.27 0.00 0.00 60.65 59.12 1py1 h LYS 140 Cb 0.99 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 1py1 h LYS 140 CO -0.04 1.13 -0.25 1.57 -2.27 0.00 0.00 179.45 179.59 1py1 h LYS 141 N 0.23 0.00 -0.00 1.90 2.10 -0.21 -2.98 116.57 117.60 1py1 h LYS 141 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1py1 h LYS 141 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1py1 h LYS 141 CO 0.13 0.25 -0.11 1.04 -2.00 0.00 0.00 179.45 178.76 1py1 n GLN 142 N -3.23 0.40 0.00 0.07 6.02 -0.04 -4.92 117.38 115.68 1py1 n GLN 142 Ca 0.02 -0.10 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 1py1 n GLN 142 Cb 0.56 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.32 1py1 n GLN 142 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1py1 n GLY 143 N 1.35 3.26 0.41 1.08 0.00 -1.11 -4.92 105.19 105.27 1py1 n GLY 143 Ca 0.12 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.36 1py1 n GLY 143 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1py1 h ILE 144 N 0.00 0.42 -3.39 -0.61 2.04 -1.51 -3.32 117.51 111.14 1py1 h ILE 144 Ca 0.00 0.00 -0.61 0.00 1.00 0.00 0.00 64.86 65.25 1py1 h ILE 144 Cb 0.00 0.61 -0.40 0.00 -0.74 0.00 0.00 36.82 36.30 1py1 h ILE 144 CO 0.00 0.00 -0.75 -0.69 0.00 0.00 0.00 178.15 176.71 1py1 s VAL 145 N -4.71 1.40 0.24 1.67 1.01 -0.53 -4.96 120.40 114.53 1py1 s VAL 145 Ca -0.04 -1.67 0.08 0.00 0.00 0.00 0.00 61.98 60.35 1py1 s VAL 145 Cb 0.17 -2.00 -0.06 0.00 0.00 0.00 0.00 36.38 34.49 1py1 s VAL 145 CO 0.60 -0.57 1.55 0.11 0.00 0.00 0.00 175.10 176.79 1py1 h LYS 146 N 7.92 0.06 -2.66 2.72 6.56 -1.88 -3.40 116.57 125.89 1py1 h LYS 146 Ca -0.11 -0.05 0.07 0.00 -1.06 0.00 0.00 60.65 59.50 1py1 h LYS 146 Cb 1.03 0.01 -0.12 0.00 -0.57 0.00 0.00 32.23 32.58 1py1 h LYS 146 CO 0.48 0.71 0.35 -1.54 -2.06 0.00 0.00 179.45 177.39 1py1 s SER 147 N -6.85 -0.40 -0.17 0.86 1.04 -1.26 -5.13 113.70 101.78 1py1 s SER 147 Ca -0.02 -0.14 -0.29 0.00 0.48 0.00 0.00 55.95 55.98 1py1 s SER 147 Cb 0.12 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.74 1py1 s SER 147 CO 0.78 -0.89 1.56 -1.81 0.98 0.00 0.00 173.24 173.86 1py1 s ASP 148 N -2.71 6.55 0.00 7.02 1.01 -1.26 -5.12 116.67 122.15 1py1 s ASP 148 Ca 0.05 1.77 0.10 0.00 0.71 0.00 0.00 52.55 55.18 1py1 s ASP 148 Cb -0.02 -2.53 0.58 0.00 1.01 0.00 0.00 42.92 41.96 1py1 s ASP 148 CO -0.07 -1.09 1.03 -0.81 0.21 0.00 0.00 175.17 174.43