#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 2.20 0.10 3.84 -4.23 -1.26 -4.98 115.64 111.31 1py1 s THR 9 Ca 0.00 -2.06 -0.28 0.00 -1.18 0.00 0.00 61.69 58.17 1py1 s THR 9 Cb 0.00 -2.83 -0.11 0.00 1.34 0.00 0.00 72.50 70.90 1py1 s THR 9 CO 0.00 -0.11 1.46 -0.07 -0.54 0.00 0.00 174.62 175.36 1py1 h LEU 10 N 1.85 -1.44 -0.68 4.79 3.38 -1.96 0.25 115.31 121.49 1py1 h LEU 10 Ca -0.43 0.17 0.14 0.00 0.09 0.00 0.00 57.88 57.85 1py1 h LEU 10 Cb 1.25 0.56 -0.13 0.00 0.09 0.00 0.00 40.66 42.43 1py1 h LEU 10 CO 0.74 -0.41 -0.10 -0.33 0.09 0.00 0.00 178.44 178.43 1py1 h GLU 11 N -0.50 0.04 -0.35 1.13 3.07 -1.97 0.41 114.58 116.41 1py1 h GLU 11 Ca 0.02 -0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.89 1py1 h GLU 11 Cb 0.57 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.46 1py1 h GLU 11 CO -0.36 0.02 0.22 0.00 -1.40 0.00 0.00 179.01 177.49 1py1 h ALA 12 N 1.66 0.44 -0.29 3.43 0.00 -1.75 -0.42 119.26 122.34 1py1 h ALA 12 Ca 0.34 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 1py1 h ALA 12 Cb 0.55 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1py1 h ALA 12 CO -0.66 -0.12 0.08 0.00 0.00 0.00 0.00 179.25 178.55 1py1 h ARG 13 N 0.44 0.45 -0.47 0.00 3.08 0.15 -2.30 114.38 115.73 1py1 h ARG 13 Ca 0.13 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1py1 h ARG 13 Cb -0.02 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1py1 h ARG 13 CO -0.05 0.52 0.20 0.97 -1.07 0.00 0.00 179.97 180.54 1py1 h ILE 14 N 0.30 1.20 -0.40 2.04 6.09 -0.15 0.32 117.51 126.92 1py1 h ILE 14 Ca 0.09 -0.62 0.06 0.00 -1.37 0.00 0.00 64.86 63.02 1py1 h ILE 14 Cb 0.26 0.73 -0.02 0.00 0.47 0.00 0.00 36.82 38.26 1py1 h ILE 14 CO -0.00 0.23 0.27 0.78 -3.07 0.00 0.00 178.15 176.36 1py1 h ASN 15 N 0.62 0.26 0.15 2.19 2.35 -0.96 0.29 115.58 120.48 1py1 h ASN 15 Ca 0.16 -0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.64 1py1 h ASN 15 Cb 0.18 -0.06 0.03 0.00 0.05 0.00 0.00 38.32 38.52 1py1 h ASN 15 CO -0.01 0.17 -1.13 -0.09 -1.65 0.00 0.00 177.43 174.71 1py1 h ARG 16 N 0.30 0.50 0.00 0.81 2.43 -0.77 -2.42 114.38 115.24 1py1 h ARG 16 Ca 0.17 -0.74 -0.03 0.00 -0.81 0.00 0.00 59.98 58.57 1py1 h ARG 16 Cb 0.32 0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1py1 h ARG 16 CO -0.04 1.34 -0.15 0.00 -1.51 0.00 0.00 179.97 179.61 1py1 h ALA 17 N 0.20 1.09 -0.04 2.80 0.00 0.69 -3.07 119.26 120.94 1py1 h ALA 17 Ca -0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1py1 h ALA 17 Cb 1.85 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1py1 h ALA 17 CO 0.22 0.19 -0.24 0.25 0.00 0.00 0.00 179.25 179.66 1py1 n THR 18 N -3.41 2.12 -1.78 0.00 -2.24 0.92 -4.73 114.28 105.16 1py1 n THR 18 Ca -0.01 -2.76 -0.42 0.00 -2.27 0.00 0.00 64.05 58.59 1py1 n THR 18 Cb 0.34 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.30 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 -2.98 6.16 0.61 3.42 3.84 -0.91 -4.60 114.94 120.48 1py1 s ASN 19 Ca 0.36 2.18 0.27 0.00 0.21 0.00 0.00 52.86 55.88 1py1 s ASN 19 Cb 0.34 -2.53 1.29 0.00 -0.55 0.00 0.00 41.25 39.81 1py1 s ASN 19 CO -0.02 -1.35 1.71 -0.65 -2.79 0.00 0.00 177.10 174.00 1py1 h PRO 20 N 11.84 0.00 0.08 0.43 0.11 -1.89 -1.01 132.00 141.56 1py1 h PRO 20 Ca -0.43 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.41 1py1 h PRO 20 Cb 1.21 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.34 1py1 h PRO 20 CO 0.96 0.00 -1.14 -0.07 -0.21 0.00 0.00 178.00 177.54 1py1 h LEU 21 N 0.00 0.65 -6.88 2.35 3.38 -1.98 -3.47 115.31 109.37 1py1 h LEU 21 Ca 0.24 -0.60 -0.62 0.00 0.09 0.00 0.00 57.88 56.99 1py1 h LEU 21 Cb 1.56 -0.21 0.03 0.00 0.09 0.00 0.00 40.66 42.14 1py1 h LEU 21 CO -0.00 1.42 0.16 0.59 0.09 0.00 0.00 178.44 180.69 1py1 n ASN 22 N -3.71 0.21 0.20 -0.43 3.02 -0.39 -4.81 115.26 109.36 1py1 n ASN 22 Ca -0.10 0.89 0.09 0.00 -0.03 0.00 0.00 54.58 55.43 1py1 n ASN 22 Cb 0.94 -0.70 0.33 0.00 -0.61 0.00 0.00 39.78 39.75 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 2.65 0.00 -2.99 3.52 1.57 -1.91 -3.46 116.57 115.94 1py1 h LYS 23 Ca -0.38 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.44 1py1 h LYS 23 Cb 1.08 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.32 1py1 h LYS 23 CO 0.55 0.26 0.23 -1.83 -0.57 0.00 0.00 179.45 178.09 1py1 s GLU 24 N -3.44 1.60 0.29 3.15 -1.05 -1.26 -5.15 118.70 112.85 1py1 s GLU 24 Ca 0.02 -0.80 -0.27 0.00 -0.15 0.00 0.00 54.97 53.77 1py1 s GLU 24 Cb 0.09 0.60 -0.14 0.00 -0.44 0.00 0.00 34.13 34.24 1py1 s GLU 24 CO 0.66 -0.73 0.78 1.28 0.95 0.00 0.00 175.26 178.21 1py1 n LEU 25 N -0.43 0.61 -3.78 1.83 4.77 -1.26 -4.92 117.00 113.81 1py1 n LEU 25 Ca -0.09 1.11 -0.34 0.00 -0.03 0.00 0.00 56.01 56.67 1py1 n LEU 25 Cb 0.61 -1.16 -0.05 0.00 -2.33 0.00 0.00 43.42 40.49 1py1 n LEU 25 CO 0.14 -2.13 0.44 -0.67 -1.33 0.00 0.00 177.39 173.84 1py1 n ASP 26 N 1.43 4.61 -0.35 -1.43 -0.08 -1.26 -4.91 116.55 114.57 1py1 n ASP 26 Ca 0.12 -3.35 0.27 0.00 -1.51 0.00 0.00 54.79 50.32 1py1 n ASP 26 Cb 0.32 -0.94 0.56 0.00 2.34 0.00 0.00 41.12 43.40 1py1 n ASP 26 CO 0.00 0.00 0.00 -0.50 0.12 0.00 0.00 177.20 176.82 1py1 h TRP 27 N 5.03 0.56 0.15 -0.67 4.06 -1.96 -0.96 115.95 122.16 1py1 h TRP 27 Ca 0.19 0.02 0.02 0.00 2.06 0.00 0.00 58.89 61.18 1py1 h TRP 27 Cb 0.69 -0.16 -0.04 0.00 -1.00 0.00 0.00 29.16 28.65 1py1 h TRP 27 CO 0.80 -0.01 -0.34 0.00 -3.56 0.00 0.00 178.44 175.34 1py1 h ALA 28 N 1.59 -0.61 -0.40 1.49 0.00 -1.99 0.14 119.26 119.48 1py1 h ALA 28 Ca 0.64 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.47 1py1 h ALA 28 Cb 1.82 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 20.15 1py1 h ALA 28 CO -0.29 -0.90 0.17 0.77 0.00 0.00 0.00 179.25 178.99 1py1 h SER 29 N -0.59 0.55 -0.10 0.00 0.02 -1.58 -0.09 113.55 111.76 1py1 h SER 29 Ca 0.02 -0.16 0.02 0.00 -0.84 0.00 0.00 61.79 60.83 1py1 h SER 29 Cb 0.60 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 1py1 h SER 29 CO -0.18 0.56 -0.03 0.40 -1.14 0.00 0.00 176.83 176.45 1py1 h ILE 30 N 0.51 0.90 -0.42 3.27 2.04 -1.11 0.14 117.51 122.83 1py1 h ILE 30 Ca 0.13 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.90 1py1 h ILE 30 Cb 0.18 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1py1 h ILE 30 CO -0.01 0.00 -0.12 0.78 0.00 0.00 0.00 178.15 178.79 1py1 h ASN 31 N -0.00 0.83 -0.92 1.72 -0.26 -0.69 -2.50 115.58 113.76 1py1 h ASN 31 Ca 0.05 -0.37 0.10 0.00 -0.56 0.00 0.00 56.30 55.51 1py1 h ASN 31 Cb 0.07 -0.23 -0.08 0.00 -1.06 0.00 0.00 38.32 37.03 1py1 h ASN 31 CO -0.10 1.01 0.57 1.23 -1.06 0.00 0.00 177.43 179.08 1py1 h GLY 32 N 0.64 1.46 0.94 2.83 0.00 -0.66 -1.89 103.07 106.39 1py1 h GLY 32 Ca 0.10 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1py1 h GLY 32 CO 0.05 0.18 0.14 -2.75 0.00 0.00 0.00 176.54 174.16 1py1 h PHE 33 N 0.94 0.65 -0.43 5.60 3.04 -0.53 0.00 116.94 126.22 1py1 h PHE 33 Ca 0.44 -0.06 -0.06 0.00 3.98 0.00 0.00 57.97 62.27 1py1 h PHE 33 Cb 0.36 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.66 1py1 h PHE 33 CO -0.03 0.59 0.03 0.00 -2.02 0.00 0.00 178.31 176.89 1py1 h GLU 35 N 0.64 0.55 0.00 0.00 4.81 -1.22 -3.24 114.58 116.11 1py1 h GLU 35 Ca 0.13 -0.54 -0.03 0.00 -0.13 0.00 0.00 59.36 58.79 1py1 h GLU 35 Cb 0.36 0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 1py1 h GLU 35 CO 0.01 1.17 -0.16 0.37 -0.73 0.00 0.00 179.01 179.67 1py1 h GLN 36 N 0.33 0.00 0.05 1.92 5.75 -0.70 -3.05 115.11 119.41 1py1 h GLN 36 Ca -0.08 0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 58.16 1py1 h GLN 36 Cb 1.55 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 30.08 1py1 h GLN 36 CO 0.17 0.16 -1.30 1.37 -2.65 0.00 0.00 178.83 176.58 1py1 h LEU 37 N 0.00 0.17 -0.09 -2.39 8.10 -1.52 -3.30 115.31 116.28 1py1 h LEU 37 Ca -0.00 -0.22 0.00 0.00 0.11 0.00 0.00 57.88 57.77 1py1 h LEU 37 Cb 0.34 -0.06 0.00 0.00 -0.44 0.00 0.00 40.66 40.51 1py1 h LEU 37 CO 0.02 1.18 0.00 0.59 -4.11 0.00 0.00 178.44 176.12 1py1 n ASN 38 N -3.36 0.06 0.00 0.17 3.02 -1.15 -4.02 115.26 109.98 1py1 n ASN 38 Ca -0.08 0.52 0.00 0.00 -0.03 0.00 0.00 54.58 54.98 1py1 n ASN 38 Cb 1.00 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 39.64 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 -1.57 0.00 -1.64 3.52 1.02 -1.24 -4.86 120.64 115.86 1py1 n GLU 39 Ca 0.02 0.00 -0.46 0.00 -0.02 0.00 0.00 57.16 56.69 1py1 n GLU 39 Cb 0.10 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.48 1py1 n GLU 39 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1py1 n ASP 40 N 0.00 2.44 0.26 1.62 9.92 -1.26 -4.87 116.55 124.66 1py1 n ASP 40 Ca 0.00 1.13 0.12 0.00 -0.53 0.00 0.00 54.79 55.51 1py1 n ASP 40 Cb 0.00 -1.36 0.70 0.00 -0.64 0.00 0.00 41.12 39.81 1py1 n ASP 40 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 1py1 h PHE 41 N 4.40 0.00 -0.33 1.24 0.04 -1.89 -1.50 116.94 118.89 1py1 h PHE 41 Ca -0.45 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.32 1py1 h PHE 41 Cb 1.29 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.44 1py1 h PHE 41 CO 0.57 0.13 0.00 -0.85 -0.60 0.00 0.00 178.31 177.56 1py1 n GLU 42 N -3.70 1.98 -0.02 1.51 0.28 -1.26 -4.27 120.64 115.16 1py1 n GLU 42 Ca -0.02 -1.49 -0.13 0.00 -0.16 0.00 0.00 57.16 55.36 1py1 n GLU 42 Cb 0.24 -1.38 -0.10 0.00 1.43 0.00 0.00 31.44 31.63 1py1 n GLU 42 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1py1 h GLY 43 N 4.97 -0.02 0.06 -1.84 0.00 -1.48 -3.20 103.07 101.56 1py1 h GLY 43 Ca 0.00 0.01 0.12 0.00 0.00 0.00 0.00 47.33 47.45 1py1 h GLY 43 CO 0.00 -0.01 0.03 -2.55 0.00 0.00 0.00 176.54 174.02 1py1 h PRO 44 N -0.58 0.15 -0.34 4.80 0.11 -1.74 -0.54 132.00 133.86 1py1 h PRO 44 Ca -0.00 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.14 1py1 h PRO 44 Cb 0.56 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.60 1py1 h PRO 44 CO 0.00 0.10 0.11 -1.35 -0.21 0.00 0.00 178.00 176.65 1py1 h PRO 45 N 0.15 0.24 0.00 1.05 0.11 -1.84 -0.98 132.00 130.73 1py1 h PRO 45 Ca 0.30 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.39 1py1 h PRO 45 Cb 0.47 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.53 1py1 h PRO 45 CO -0.47 0.16 -0.05 1.25 -0.21 0.00 0.00 178.00 178.69 1py1 h LEU 46 N 0.25 0.00 0.00 2.35 7.12 -1.32 -1.62 115.31 122.10 1py1 h LEU 46 Ca 0.15 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.15 1py1 h LEU 46 Cb 0.13 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.26 1py1 h LEU 46 CO -0.16 0.05 -0.04 0.00 -0.13 0.00 0.00 178.44 178.16 1py1 h ALA 47 N 1.95 -0.00 -0.70 1.25 0.00 0.10 -2.66 119.26 119.20 1py1 h ALA 47 Ca -0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1py1 h ALA 47 Cb 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1py1 h ALA 47 CO 0.01 -0.02 0.38 1.79 0.00 0.00 0.00 179.25 181.41 1py1 h THR 48 N -0.88 1.21 -0.34 0.00 1.35 -0.96 0.28 112.91 113.58 1py1 h THR 48 Ca -0.01 -0.54 -0.04 0.00 -0.55 0.00 0.00 66.41 65.28 1py1 h THR 48 Cb 0.94 0.30 -0.02 0.00 -1.73 0.00 0.00 68.15 67.64 1py1 h THR 48 CO 0.01 0.24 0.04 -0.09 -0.25 0.00 0.00 175.52 175.46 1py1 h ARG 49 N 0.96 0.51 -0.08 4.72 2.43 -1.43 0.39 114.38 121.88 1py1 h ARG 49 Ca 0.25 -0.09 -0.19 0.00 -0.81 0.00 0.00 59.98 59.13 1py1 h ARG 49 Cb 0.04 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.52 1py1 h ARG 49 CO -0.04 0.51 -0.69 -0.07 -1.51 0.00 0.00 179.97 178.17 1py1 h LEU 50 N 0.50 0.74 -0.21 3.80 4.07 -0.94 -3.19 115.31 120.07 1py1 h LEU 50 Ca 0.11 -0.68 -0.04 0.00 0.08 0.00 0.00 57.88 57.35 1py1 h LEU 50 Cb 0.27 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.78 1py1 h LEU 50 CO 0.00 1.31 -0.02 -0.07 -1.08 0.00 0.00 178.44 178.58 1py1 h LEU 51 N 0.23 0.38 -0.69 1.67 3.38 -0.23 -2.52 115.31 117.53 1py1 h LEU 51 Ca -0.07 -0.33 0.14 0.00 0.09 0.00 0.00 57.88 57.71 1py1 h LEU 51 Cb 1.35 -0.10 -0.10 0.00 0.09 0.00 0.00 40.66 41.89 1py1 h LEU 51 CO 0.14 0.62 0.15 0.00 0.09 0.00 0.00 178.44 179.44 1py1 h ALA 52 N 0.77 0.85 -0.27 1.53 0.00 -1.03 0.14 119.26 121.26 1py1 h ALA 52 Ca 0.06 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1py1 h ALA 52 Cb 0.44 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1py1 h ALA 52 CO 0.01 -0.33 0.11 1.25 0.00 0.00 0.00 179.25 180.29 1py1 h HIS 53 N 0.26 0.40 -0.47 0.00 -0.00 -1.51 -2.69 115.15 111.14 1py1 h HIS 53 Ca 0.38 -0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.70 1py1 h HIS 53 Cb 0.62 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.88 1py1 h HIS 53 CO -0.27 0.41 0.21 0.87 -0.00 0.00 0.00 177.93 179.16 1py1 h LYS 54 N 0.28 0.68 0.00 5.26 1.79 -0.76 -2.50 116.57 121.32 1py1 h LYS 54 Ca 0.09 -0.11 -0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1py1 h LYS 54 Cb 0.18 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 30.71 1py1 h LYS 54 CO -0.01 0.59 -0.02 0.82 -1.08 0.00 0.00 179.45 179.76 1py1 h ILE 55 N 0.61 0.59 -0.01 1.86 2.04 -0.75 -1.78 117.51 120.08 1py1 h ILE 55 Ca 0.16 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.95 1py1 h ILE 55 Cb 0.15 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1py1 h ILE 55 CO -0.02 0.02 -0.12 0.00 0.00 0.00 0.00 178.15 178.02 1py1 n GLN 56 N -3.90 1.26 -1.81 2.37 6.02 -0.95 -4.76 117.38 115.61 1py1 n GLN 56 Ca -0.03 -0.74 -0.38 0.00 -0.01 0.00 0.00 57.00 55.84 1py1 n GLN 56 Cb 0.10 -1.48 0.04 0.00 1.02 0.00 0.00 30.24 29.91 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 -2.25 5.33 0.53 1.08 0.15 -0.67 -4.90 113.70 112.97 1py1 s SER 57 Ca 0.31 2.75 0.31 0.00 0.70 0.00 0.00 55.95 60.02 1py1 s SER 57 Cb 0.20 -2.63 1.27 0.00 -1.71 0.00 0.00 66.02 63.15 1py1 s SER 57 CO 0.42 -1.53 1.95 -0.65 1.20 0.00 0.00 173.24 174.64 1py1 h PRO 58 N 1.51 0.00 -6.25 5.44 0.11 -1.92 -3.42 132.00 127.47 1py1 h PRO 58 Ca -0.51 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.04 1py1 h PRO 58 Cb 1.30 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.32 1py1 h PRO 58 CO 0.57 0.06 0.94 -0.65 -0.21 0.00 0.00 178.00 178.72 1py1 s GLN 59 N -3.69 3.25 0.20 1.05 -0.21 -1.26 -4.93 119.66 114.07 1py1 s GLN 59 Ca 0.01 -0.23 -0.22 0.00 0.02 0.00 0.00 55.36 54.94 1py1 s GLN 59 Cb 0.09 -4.15 0.12 0.00 1.00 0.00 0.00 33.01 30.08 1py1 s GLN 59 CO 0.57 -1.98 1.53 -1.91 -2.12 0.00 0.00 175.29 171.38 1py1 n GLU 60 N 8.86 -0.31 -0.02 2.91 2.13 -1.26 -0.27 120.64 132.68 1py1 n GLU 60 Ca 0.03 1.51 0.15 0.00 0.66 0.00 0.00 57.16 59.51 1py1 n GLU 60 Cb 0.48 -2.23 0.59 0.00 0.27 0.00 0.00 31.44 30.55 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 0.23 -0.27 4.31 -0.00 -1.94 0.16 115.95 118.44 1py1 h TRP 61 Ca 0.27 0.01 -0.14 0.00 -0.00 0.00 0.00 58.89 59.03 1py1 h TRP 61 Cb 0.52 -0.07 -0.00 0.00 -0.00 0.00 0.00 29.16 29.60 1py1 h TRP 61 CO -0.92 0.11 -0.39 1.49 -0.00 0.00 0.00 178.44 178.72 1py1 h GLU 62 N 0.21 0.74 -0.36 2.65 4.81 -0.89 -2.50 114.58 119.25 1py1 h GLU 62 Ca 0.25 -0.44 -0.15 0.00 -0.13 0.00 0.00 59.36 58.89 1py1 h GLU 62 Cb 0.68 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 1py1 h GLU 62 CO -0.04 1.06 -0.35 0.00 -0.73 0.00 0.00 179.01 178.95 1py1 h ALA 63 N 0.67 0.52 -0.75 2.92 0.00 -0.93 -0.94 119.26 120.76 1py1 h ALA 63 Ca 0.03 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 1py1 h ALA 63 Cb 0.99 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1py1 h ALA 63 CO 0.09 0.60 0.23 0.82 0.00 0.00 0.00 179.25 180.98 1py1 h ILE 64 N 0.66 1.26 -0.33 0.00 1.08 -1.06 0.46 117.51 119.59 1py1 h ILE 64 Ca 0.06 -0.93 -0.17 0.00 -0.39 0.00 0.00 64.86 63.43 1py1 h ILE 64 Cb 0.93 0.45 -0.00 0.00 -3.07 0.00 0.00 36.82 35.13 1py1 h ILE 64 CO 0.09 0.36 -0.47 1.56 -0.69 0.00 0.00 178.15 179.00 1py1 h GLN 65 N 1.12 0.90 -0.56 2.37 4.20 -1.41 -0.56 115.11 121.16 1py1 h GLN 65 Ca 0.24 -0.53 0.04 0.00 0.06 0.00 0.00 58.65 58.47 1py1 h GLN 65 Cb 0.32 0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.10 1py1 h GLN 65 CO -0.01 1.17 0.31 0.00 -0.67 0.00 0.00 178.83 179.63 1py1 h ALA 66 N 0.72 0.73 -0.47 3.87 0.00 -0.49 0.12 119.26 123.74 1py1 h ALA 66 Ca 0.04 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1py1 h ALA 66 Cb 1.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1py1 h ALA 66 CO 0.11 -0.02 0.14 -0.07 0.00 0.00 0.00 179.25 179.41 1py1 h LEU 67 N 0.59 0.64 -1.17 0.00 3.38 -0.00 -0.81 115.31 117.94 1py1 h LEU 67 Ca 0.25 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 1py1 h LEU 67 Cb 0.13 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1py1 h LEU 67 CO -0.15 0.61 -0.33 0.74 0.09 0.00 0.00 178.44 179.40 1py1 h THR 68 N 0.68 0.90 -0.02 0.22 2.02 0.29 -0.94 112.91 116.05 1py1 h THR 68 Ca 0.16 -1.31 -0.08 0.00 0.77 0.00 0.00 66.41 65.95 1py1 h THR 68 Cb 0.21 1.78 0.01 0.00 -1.74 0.00 0.00 68.15 68.41 1py1 h THR 68 CO -0.01 0.33 -0.30 0.58 0.37 0.00 0.00 175.52 176.49 1py1 h VAL 69 N 0.00 1.49 -0.15 3.16 2.07 0.05 -2.09 116.25 120.78 1py1 h VAL 69 Ca -0.00 -1.87 0.04 0.00 0.82 0.00 0.00 66.70 65.68 1py1 h VAL 69 Cb 0.76 2.60 -0.04 0.00 -1.52 0.00 0.00 31.29 33.09 1py1 h VAL 69 CO 0.04 0.52 -0.09 0.25 0.02 0.00 0.00 177.57 178.32 1py1 h LEU 70 N -0.36 -0.28 -1.12 2.57 5.85 -1.04 0.39 115.31 121.31 1py1 h LEU 70 Ca -0.03 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1py1 h LEU 70 Cb 1.01 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 1py1 h LEU 70 CO 0.06 -0.12 0.57 -0.08 -0.34 0.00 0.00 178.44 178.53 1py1 h GLU 71 N -0.08 1.15 -0.14 1.25 4.81 -1.24 -2.12 114.58 118.21 1py1 h GLU 71 Ca 0.09 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1py1 h GLU 71 Cb 0.21 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 1py1 h GLU 71 CO -0.20 0.77 -0.12 1.15 -0.73 0.00 0.00 179.01 179.88 1py1 h THR 72 N 1.19 1.34 0.00 0.32 2.02 -0.63 -3.21 112.91 113.93 1py1 h THR 72 Ca 0.32 -1.24 -0.06 0.00 0.77 0.00 0.00 66.41 66.20 1py1 h THR 72 Cb -0.12 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.13 1py1 h THR 72 CO -0.07 0.36 -0.28 0.00 0.37 0.00 0.00 175.52 175.90 1py1 h MET 74 N 0.00 0.00 0.10 0.00 2.07 -1.39 -2.86 114.93 112.84 1py1 h MET 74 Ca -0.00 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.62 1py1 h MET 74 Cb 0.51 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.24 1py1 h MET 74 CO 0.04 0.21 -0.05 0.87 1.07 0.00 0.00 176.91 179.05 1py1 h LYS 75 N 0.00 -0.13 -2.39 1.72 1.57 -1.44 -3.35 116.57 112.55 1py1 h LYS 75 Ca -0.00 0.01 -0.79 0.00 -1.87 0.00 0.00 60.65 57.99 1py1 h LYS 75 Cb 0.40 0.03 -0.24 0.00 0.08 0.00 0.00 32.23 32.50 1py1 h LYS 75 CO 0.03 0.32 1.35 -1.13 -0.57 0.00 0.00 179.45 179.45 1py1 n SER 76 N -4.92 7.43 -3.55 0.86 3.41 -1.09 -4.92 113.62 110.84 1py1 n SER 76 Ca -0.08 -3.54 -0.13 0.00 -0.26 0.00 0.00 58.87 54.86 1py1 n SER 76 Cb 0.26 -1.22 -0.05 0.00 -0.26 0.00 0.00 64.21 62.93 1py1 n SER 76 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1py1 n GLY 78 N 0.75 4.73 0.19 0.00 0.00 -1.26 -4.81 105.19 104.79 1py1 n GLY 78 Ca -0.13 -2.05 0.17 0.00 0.00 0.00 0.00 46.02 44.01 1py1 n GLY 78 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1py1 n LYS 79 N -0.04 -0.04 0.00 1.61 4.81 -1.26 -2.23 118.16 121.02 1py1 n LYS 79 Ca 0.00 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.26 1py1 n LYS 79 Cb 0.00 -1.45 0.00 0.00 0.02 0.00 0.00 35.03 33.60 1py1 n LYS 79 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1py1 n ARG 80 N -4.41 0.00 0.10 1.64 5.12 -1.26 -1.17 116.66 116.69 1py1 n ARG 80 Ca 0.21 0.32 -0.00 0.00 -1.93 0.00 0.00 57.85 56.45 1py1 n ARG 80 Cb 0.70 -0.99 0.30 0.00 -1.16 0.00 0.00 32.46 31.31 1py1 n ARG 80 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 1py1 h PHE 81 N 0.00 0.28 -0.70 -1.55 3.57 -1.87 -2.98 116.94 113.69 1py1 h PHE 81 Ca 0.00 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.45 1py1 h PHE 81 Cb 0.00 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 1py1 h PHE 81 CO 0.00 0.51 0.45 0.45 -2.23 0.00 0.00 178.31 177.49 1py1 h HIS 82 N 0.23 0.89 -0.21 0.41 3.86 -1.42 -2.11 115.15 116.80 1py1 h HIS 82 Ca 0.04 0.02 -0.19 0.00 -1.16 0.00 0.00 60.37 59.07 1py1 h HIS 82 Cb 0.60 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1py1 h HIS 82 CO 0.01 0.57 -0.60 -0.44 0.86 0.00 0.00 177.93 178.33 1py1 h ASP 83 N 0.95 0.89 -0.22 2.45 3.32 -0.98 0.45 116.42 123.27 1py1 h ASP 83 Ca 0.25 -0.58 -0.02 0.00 0.02 0.00 0.00 57.03 56.70 1py1 h ASP 83 Cb -0.09 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.18 1py1 h ASP 83 CO -0.05 1.31 0.08 -0.08 -1.72 0.00 0.00 179.24 178.78 1py1 h GLU 84 N 0.52 0.41 0.00 3.56 4.57 -1.47 -1.48 114.58 120.69 1py1 h GLU 84 Ca -0.01 -0.06 -0.16 0.00 -1.18 0.00 0.00 59.36 57.95 1py1 h GLU 84 Cb 1.21 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 29.70 1py1 h GLU 84 CO 0.13 0.38 -1.06 0.28 -1.18 0.00 0.00 179.01 177.56 1py1 h VAL 85 N 0.41 0.83 0.00 0.32 2.07 -1.33 -3.27 116.25 115.27 1py1 h VAL 85 Ca 0.10 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.28 1py1 h VAL 85 Cb 0.15 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 1py1 h VAL 85 CO -0.01 0.47 0.00 0.61 0.02 0.00 0.00 177.57 178.67 1py1 n GLY 86 N 1.34 -0.91 3.90 2.17 0.00 0.14 -4.33 105.19 107.50 1py1 n GLY 86 Ca -0.05 -0.17 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.08 3.66 0.52 1.61 1.02 -0.86 -4.39 119.74 119.22 1py1 s LYS 87 Ca 0.39 0.03 0.28 0.00 0.02 0.00 0.00 55.97 56.69 1py1 s LYS 87 Cb 0.19 -2.70 1.38 0.00 -0.52 0.00 0.00 37.83 36.17 1py1 s LYS 87 CO 0.33 0.30 2.02 0.74 -0.92 0.00 0.00 175.35 177.82 1py1 h PHE 88 N 2.13 0.00 -0.98 3.18 0.04 -1.91 -1.90 116.94 117.50 1py1 h PHE 88 Ca -0.47 0.00 0.22 0.00 2.80 0.00 0.00 57.97 60.52 1py1 h PHE 88 Cb 1.18 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 39.24 1py1 h PHE 88 CO 0.59 0.13 0.63 -0.09 -0.60 0.00 0.00 178.31 178.96 1py1 h ARG 89 N 0.00 0.50 0.00 1.51 9.65 -1.93 -0.88 114.38 123.23 1py1 h ARG 89 Ca -0.00 -0.03 -0.10 0.00 -1.10 0.00 0.00 59.98 58.75 1py1 h ARG 89 Cb 0.44 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.89 1py1 h ARG 89 CO 0.02 0.33 -1.08 0.34 2.80 0.00 0.00 179.97 182.38 1py1 n PHE 90 N -4.63 0.48 -0.34 2.20 7.35 -0.92 -4.36 117.46 117.26 1py1 n PHE 90 Ca 0.22 0.21 0.31 0.00 -0.76 0.00 0.00 57.45 57.43 1py1 n PHE 90 Cb 0.71 -0.75 0.57 0.00 0.35 0.00 0.00 39.48 40.36 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 -1.00 0.35 -0.41 -2.13 3.38 -1.30 0.64 115.31 114.84 1py1 h LEU 91 Ca -0.15 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1py1 h LEU 91 Cb 0.95 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1py1 h LEU 91 CO -0.09 -0.35 0.26 0.78 0.09 0.00 0.00 178.44 179.14 1py1 h ASN 92 N 0.08 0.48 -0.90 -0.43 2.35 -1.38 -0.86 115.58 114.93 1py1 h ASN 92 Ca 0.82 -0.03 0.13 0.00 -0.55 0.00 0.00 56.30 56.67 1py1 h ASN 92 Cb 2.17 -0.12 -0.07 0.00 0.05 0.00 0.00 38.32 40.35 1py1 h ASN 92 CO -0.70 0.37 0.58 -0.33 -1.65 0.00 0.00 177.43 175.70 1py1 h GLU 93 N 0.55 0.74 -0.36 0.81 4.39 0.09 0.13 114.58 120.93 1py1 h GLU 93 Ca 0.15 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.73 1py1 h GLU 93 Cb -0.04 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.43 1py1 h GLU 93 CO -0.03 0.49 -0.08 -0.07 -1.16 0.00 0.00 179.01 178.16 1py1 h LEU 94 N 0.76 0.70 -0.77 1.33 3.38 -1.13 -3.06 115.31 116.52 1py1 h LEU 94 Ca 0.44 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1py1 h LEU 94 Cb 0.62 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1py1 h LEU 94 CO -0.20 0.90 0.49 0.40 0.09 0.00 0.00 178.44 180.12 1py1 h ILE 95 N 0.49 1.20 -0.74 1.22 2.04 0.23 -2.26 117.51 119.70 1py1 h ILE 95 Ca 0.09 -0.40 0.04 0.00 1.00 0.00 0.00 64.86 65.60 1py1 h ILE 95 Cb 0.59 0.09 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 1py1 h ILE 95 CO 0.03 0.20 0.49 0.11 0.00 0.00 0.00 178.15 178.98 1py1 h LYS 96 N 1.04 0.84 -0.53 2.37 1.57 -0.76 0.31 116.57 121.42 1py1 h LYS 96 Ca 0.28 -0.05 -0.11 0.00 -1.87 0.00 0.00 60.65 58.89 1py1 h LYS 96 Cb -0.09 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.01 1py1 h LYS 96 CO -0.06 0.56 -0.12 0.28 -0.57 0.00 0.00 179.45 179.54 1py1 h VAL 97 N 0.87 1.27 0.00 0.50 2.07 -1.31 -0.66 116.25 118.98 1py1 h VAL 97 Ca 0.30 -1.27 -0.31 0.00 0.82 0.00 0.00 66.70 66.24 1py1 h VAL 97 Cb 0.10 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 30.80 1py1 h VAL 97 CO -0.09 0.45 -1.84 1.33 0.02 0.00 0.00 177.57 177.44 1py1 n VAL 98 N -4.14 1.58 -2.14 2.57 0.24 -1.00 -3.09 118.33 112.35 1py1 n VAL 98 Ca 0.01 -0.80 -0.43 0.00 -2.04 0.00 0.00 64.34 61.09 1py1 n VAL 98 Cb 0.41 -0.95 -0.03 0.00 -1.47 0.00 0.00 33.84 31.80 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 -6.01 6.69 0.47 -1.34 0.15 0.11 -4.46 113.70 109.31 1py1 s SER 99 Ca -0.06 1.98 0.16 0.00 0.70 0.00 0.00 55.95 58.73 1py1 s SER 99 Cb 0.08 -2.53 1.13 0.00 -1.71 0.00 0.00 66.02 62.99 1py1 s SER 99 CO 0.82 -0.94 2.01 -0.65 1.20 0.00 0.00 173.24 175.69 1py1 h PRO 100 N 9.37 0.26 -0.14 5.44 0.11 -1.88 0.12 132.00 145.29 1py1 h PRO 100 Ca -0.35 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.79 1py1 h PRO 100 Cb 1.15 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1py1 h PRO 100 CO 0.97 0.17 0.34 -0.22 -0.21 0.00 0.00 178.00 179.05 1py1 h LYS 101 N 0.27 0.00 0.00 1.05 3.64 -1.93 -3.32 116.57 116.28 1py1 h LYS 101 Ca 0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1py1 h LYS 101 Cb 0.55 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 1py1 h LYS 101 CO -0.05 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.79 1py1 n TYR 102 N -3.25 0.00 1.02 1.91 4.02 0.06 -4.96 117.16 115.97 1py1 n TYR 102 Ca 0.01 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.04 1py1 n TYR 102 Cb 0.43 0.00 0.56 0.00 -0.02 0.00 0.00 39.34 40.31 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 0.10 -0.27 7.72 4.77 -0.27 -4.21 117.00 124.84 1py1 n LEU 103 Ca 0.00 0.40 0.04 0.00 -0.03 0.00 0.00 56.01 56.42 1py1 n LEU 103 Cb 0.00 -0.44 0.14 0.00 -2.33 0.00 0.00 43.42 40.78 1py1 n LEU 103 CO 0.00 0.02 0.76 1.23 -1.33 0.00 0.00 177.39 178.07 1py1 h GLY 104 N 5.00 0.73 0.32 -0.72 0.00 -0.73 -1.49 103.07 106.18 1py1 h GLY 104 Ca 0.00 0.19 0.20 0.00 0.00 0.00 0.00 47.33 47.72 1py1 h GLY 104 CO 0.00 -0.31 0.59 1.48 0.00 0.00 0.00 176.54 178.30 1py1 h SER 105 N 0.04 0.43 -0.30 0.19 4.64 -1.73 -2.39 113.55 114.44 1py1 h SER 105 Ca 0.41 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1py1 h SER 105 Cb 0.69 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1py1 h SER 105 CO -0.76 0.18 0.00 0.54 -0.87 0.00 0.00 176.83 175.92 1py1 n ARG 106 N -4.52 2.87 -3.43 4.77 1.74 -0.61 -5.01 116.66 112.47 1py1 n ARG 106 Ca 0.19 -2.30 -0.38 0.00 -0.77 0.00 0.00 57.85 54.60 1py1 n ARG 106 Cb 0.68 -1.45 -0.06 0.00 -1.02 0.00 0.00 32.46 30.60 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 -1.64 5.12 0.10 0.55 2.01 -0.90 -5.04 115.64 115.84 1py1 s THR 107 Ca 0.28 0.85 -0.36 0.00 0.31 0.00 0.00 61.69 62.77 1py1 s THR 107 Cb 0.19 -3.74 -0.17 0.00 0.01 0.00 0.00 72.50 68.79 1py1 s THR 107 CO 0.12 0.46 1.34 -0.24 -0.69 0.00 0.00 174.62 175.61 1py1 n SER 108 N 2.73 1.68 0.19 3.53 2.88 -1.26 -4.85 113.62 118.52 1py1 n SER 108 Ca -0.11 1.12 0.09 0.00 -1.33 0.00 0.00 58.87 58.64 1py1 n SER 108 Cb 0.52 -1.20 0.62 0.00 -0.75 0.00 0.00 64.21 63.40 1py1 n SER 108 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1py1 h GLU 109 N 4.52 0.07 0.35 -1.46 4.57 -1.96 -2.35 114.58 118.33 1py1 h GLU 109 Ca -0.47 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.69 1py1 h GLU 109 Cb 1.33 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.91 1py1 h GLU 109 CO 0.78 0.05 -0.17 -0.22 -1.18 0.00 0.00 179.01 178.26 1py1 h LYS 110 N 0.07 -0.46 -0.62 1.92 3.64 -2.01 -2.81 116.57 116.31 1py1 h LYS 110 Ca 0.06 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.54 1py1 h LYS 110 Cb 0.15 0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 1py1 h LYS 110 CO -0.01 -0.20 0.41 0.28 -2.27 0.00 0.00 179.45 177.67 1py1 h VAL 111 N -0.67 0.99 -0.24 2.00 2.07 -1.80 -2.43 116.25 116.18 1py1 h VAL 111 Ca -0.05 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 1py1 h VAL 111 Cb 0.47 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1py1 h VAL 111 CO 0.08 0.11 -0.14 0.11 0.02 0.00 0.00 177.57 177.75 1py1 h LYS 112 N 0.60 0.52 -0.30 1.57 1.57 -1.43 -2.87 116.57 116.22 1py1 h LYS 112 Ca 0.27 -0.24 0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1py1 h LYS 112 Cb 0.29 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1py1 h LYS 112 CO -0.08 0.80 0.17 -0.91 -0.57 0.00 0.00 179.45 178.85 1py1 h ASN 113 N 0.23 0.27 -0.50 0.86 -0.26 -1.20 -1.39 115.58 113.60 1py1 h ASN 113 Ca 0.05 0.00 0.10 0.00 -0.56 0.00 0.00 56.30 55.89 1py1 h ASN 113 Cb 0.65 -0.05 -0.08 0.00 -1.06 0.00 0.00 38.32 37.78 1py1 h ASN 113 CO 0.04 0.20 0.01 0.50 -1.06 0.00 0.00 177.43 177.12 1py1 h LYS 114 N 0.35 0.13 -0.92 0.81 1.63 -1.43 0.48 116.57 117.62 1py1 h LYS 114 Ca 0.12 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.91 1py1 h LYS 114 Cb 0.01 -0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.56 1py1 h LYS 114 CO -0.06 0.08 0.56 0.82 -3.45 0.00 0.00 179.45 177.40 1py1 h ILE 115 N 0.13 1.25 -0.27 2.00 2.04 -1.25 -0.02 117.51 121.38 1py1 h ILE 115 Ca 0.25 -0.54 -0.11 0.00 1.00 0.00 0.00 64.86 65.46 1py1 h ILE 115 Cb 0.37 -0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1py1 h ILE 115 CO -0.40 0.26 -0.30 -0.07 0.00 0.00 0.00 178.15 177.63 1py1 h LEU 116 N 1.26 0.57 -0.38 1.44 3.38 0.15 0.82 115.31 122.55 1py1 h LEU 116 Ca 0.33 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 1py1 h LEU 116 Cb -0.06 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1py1 h LEU 116 CO -0.06 0.85 -0.15 -0.33 0.09 0.00 0.00 178.44 178.83 1py1 h GLU 117 N 0.48 0.78 0.49 1.13 5.08 0.37 -2.42 114.58 120.48 1py1 h GLU 117 Ca 0.06 -0.33 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 1py1 h GLU 117 Cb 0.77 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1py1 h GLU 117 CO 0.06 0.95 -0.23 -0.07 -1.00 0.00 0.00 179.01 178.71 1py1 h LEU 118 N 0.59 -0.55 -0.49 1.33 3.38 -0.75 0.21 115.31 119.02 1py1 h LEU 118 Ca 0.09 -0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.12 1py1 h LEU 118 Cb 0.69 0.14 -0.09 0.00 0.09 0.00 0.00 40.66 41.50 1py1 h LEU 118 CO 0.05 -0.31 -0.06 -0.07 0.09 0.00 0.00 178.44 178.14 1py1 h LEU 119 N -0.77 -0.32 0.14 1.67 3.38 -0.90 0.58 115.31 119.09 1py1 h LEU 119 Ca -0.07 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1py1 h LEU 119 Cb 0.55 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1py1 h LEU 119 CO 0.11 -0.11 -0.07 0.22 0.09 0.00 0.00 178.44 178.68 1py1 h TYR 120 N 0.06 -0.17 -1.03 1.13 3.20 -1.34 -1.74 116.97 117.08 1py1 h TYR 120 Ca 0.24 -0.00 0.26 0.00 3.14 0.00 0.00 58.73 62.37 1py1 h TYR 120 Cb 0.37 0.06 -0.11 0.00 1.54 0.00 0.00 36.73 38.59 1py1 h TYR 120 CO -0.36 -0.05 0.64 1.03 -1.64 0.00 0.00 178.16 177.78 1py1 h SER 121 N -0.25 0.56 0.77 -2.11 0.87 0.16 -0.58 113.55 112.96 1py1 h SER 121 Ca -0.02 0.11 -0.22 0.00 -1.23 0.00 0.00 61.79 60.43 1py1 h SER 121 Cb 0.20 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 1py1 h SER 121 CO 0.03 0.09 -1.01 -0.50 -0.53 0.00 0.00 176.83 174.91 1py1 h TRP 122 N 0.48 0.21 -0.41 2.24 6.55 -0.43 -1.11 115.95 123.48 1py1 h TRP 122 Ca 0.63 -0.14 -0.06 0.00 0.95 0.00 0.00 58.89 60.26 1py1 h TRP 122 Cb 1.39 -0.01 -0.02 0.00 -0.86 0.00 0.00 29.16 29.65 1py1 h TRP 122 CO -0.00 1.05 -0.01 1.79 -1.05 0.00 0.00 178.44 180.22 1py1 h THR 123 N 0.05 1.22 0.15 1.49 1.35 -0.23 0.49 112.91 117.42 1py1 h THR 123 Ca -0.05 -0.92 -0.21 0.00 -0.55 0.00 0.00 66.41 64.69 1py1 h THR 123 Cb 1.72 0.92 0.02 0.00 -1.73 0.00 0.00 68.15 69.08 1py1 h THR 123 CO 0.15 0.32 -0.89 0.58 -0.25 0.00 0.00 175.52 175.42 1py1 h VAL 124 N 0.63 1.47 0.22 6.82 2.07 -1.45 -3.02 116.25 122.99 1py1 h VAL 124 Ca 0.13 -2.52 -0.32 0.00 0.82 0.00 0.00 66.70 64.80 1py1 h VAL 124 Cb 0.40 3.13 0.03 0.00 -1.52 0.00 0.00 31.29 33.33 1py1 h VAL 124 CO 0.02 0.72 -1.45 1.23 0.02 0.00 0.00 177.57 178.11 1py1 h GLY 125 N -0.27 0.52 -5.71 2.17 0.00 -1.17 -3.38 103.07 95.23 1py1 h GLY 125 Ca -0.15 -1.34 -0.59 0.00 0.00 0.00 0.00 47.33 45.25 1py1 h GLY 125 CO 0.17 1.17 -0.66 1.04 0.00 0.00 0.00 176.54 178.26 1py1 n LEU 126 N -3.65 3.89 0.28 3.11 4.77 0.17 -4.89 117.00 120.68 1py1 n LEU 126 Ca -0.15 -5.53 0.19 0.00 -0.03 0.00 0.00 56.01 50.49 1py1 n LEU 126 Cb 1.08 -0.50 0.98 0.00 -2.33 0.00 0.00 43.42 42.65 1py1 n LEU 126 CO 0.58 2.22 1.07 1.55 -1.33 0.00 0.00 177.39 181.49 1py1 h PRO 127 N 3.50 0.00 -0.72 3.23 0.13 -1.60 -2.23 132.00 134.31 1py1 h PRO 127 Ca 0.15 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.26 1py1 h PRO 127 Cb 0.60 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.70 1py1 h PRO 127 CO 0.80 0.00 0.36 0.93 -0.23 0.00 0.00 178.00 179.87 1py1 h GLU 128 N 0.00 1.02 -5.59 0.86 3.07 -1.90 -3.36 114.58 108.68 1py1 h GLU 128 Ca 0.00 -0.13 -0.30 0.00 -0.50 0.00 0.00 59.36 58.43 1py1 h GLU 128 Cb 0.10 -0.19 -0.04 0.00 -0.84 0.00 0.00 28.75 27.77 1py1 h GLU 128 CO 0.00 0.77 0.86 -1.21 -1.40 0.00 0.00 179.01 178.03 1py1 s GLU 129 N -5.62 2.49 0.14 2.33 0.41 -0.84 -4.81 118.70 112.80 1py1 s GLU 129 Ca -0.11 -0.66 -0.19 0.00 -0.41 0.00 0.00 54.97 53.60 1py1 s GLU 129 Cb 0.17 -5.14 0.02 0.00 -1.78 0.00 0.00 34.13 27.40 1py1 s GLU 129 CO 0.80 -3.70 1.69 -0.39 -0.49 0.00 0.00 175.26 173.17 1py1 h VAL 130 N 6.79 0.71 -0.99 2.63 -1.51 -1.86 -2.67 116.25 119.34 1py1 h VAL 130 Ca 0.15 0.00 0.08 0.00 -1.23 0.00 0.00 66.70 65.70 1py1 h VAL 130 Cb 0.98 0.71 -0.07 0.00 -2.13 0.00 0.00 31.29 30.77 1py1 h VAL 130 CO 1.21 0.00 0.63 0.11 -1.23 0.00 0.00 177.57 178.29 1py1 h LYS 131 N -0.01 1.06 -0.72 5.19 1.57 -1.87 0.50 116.57 122.29 1py1 h LYS 131 Ca 0.13 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1py1 h LYS 131 Cb 0.22 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1py1 h LYS 131 CO -0.29 0.70 0.44 0.82 -0.57 0.00 0.00 179.45 180.56 1py1 h ILE 132 N 1.10 1.20 -0.32 1.86 2.04 -1.69 0.11 117.51 121.82 1py1 h ILE 132 Ca 0.45 -0.42 -0.18 0.00 1.00 0.00 0.00 64.86 65.72 1py1 h ILE 132 Cb 0.28 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1py1 h ILE 132 CO -0.21 0.20 -0.49 0.00 0.00 0.00 0.00 178.15 177.66 1py1 h ALA 133 N 1.24 0.52 -0.09 1.87 0.00 -1.02 -2.18 119.26 119.61 1py1 h ALA 133 Ca 0.26 -0.49 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1py1 h ALA 133 Cb -0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1py1 h ALA 133 CO -0.05 0.68 0.02 1.49 0.00 0.00 0.00 179.25 181.39 1py1 h GLU 134 N 0.69 0.06 -0.61 0.00 4.81 0.47 0.19 114.58 120.20 1py1 h GLU 134 Ca 0.03 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1py1 h GLU 134 Cb 1.09 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 1py1 h GLU 134 CO 0.11 0.04 0.33 0.00 -0.73 0.00 0.00 179.01 178.77 1py1 h ALA 135 N 1.06 1.44 -0.42 2.92 0.00 -0.81 -1.07 119.26 122.37 1py1 h ALA 135 Ca 0.04 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1py1 h ALA 135 Cb 0.03 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1py1 h ALA 135 CO -0.04 0.46 -0.19 -0.92 0.00 0.00 0.00 179.25 178.56 1py1 h TYR 136 N 0.85 0.93 0.04 0.00 3.20 -0.69 -2.05 116.97 119.25 1py1 h TYR 136 Ca 0.22 -0.20 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 1py1 h TYR 136 Cb 0.02 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.07 1py1 h TYR 136 CO 0.01 0.95 -0.02 1.96 -1.64 0.00 0.00 178.16 179.41 1py1 h GLN 137 N 0.73 -0.06 -0.68 1.82 1.08 -0.47 -0.81 115.11 116.72 1py1 h GLN 137 Ca 0.11 0.00 0.16 0.00 -1.45 0.00 0.00 58.65 57.47 1py1 h GLN 137 Cb 0.71 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.11 1py1 h GLN 137 CO 0.05 0.31 0.47 1.98 -0.95 0.00 0.00 178.83 180.69 1py1 h MET 138 N -0.43 0.24 -0.00 1.46 4.05 -1.19 0.48 114.93 119.54 1py1 h MET 138 Ca -0.01 -0.01 -0.18 0.00 -0.28 0.00 0.00 59.70 59.22 1py1 h MET 138 Cb 0.39 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.12 1py1 h MET 138 CO 0.01 0.16 -0.82 1.25 0.23 0.00 0.00 176.91 177.74 1py1 h LEU 139 N 0.25 0.12 -0.03 3.39 5.85 -1.11 -2.86 115.31 120.92 1py1 h LEU 139 Ca 0.33 -0.09 -0.18 0.00 0.84 0.00 0.00 57.88 58.78 1py1 h LEU 139 Cb 0.95 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 1py1 h LEU 139 CO -0.07 0.89 -0.83 0.50 -0.34 0.00 0.00 178.44 178.58 1py1 h LYS 140 N 0.05 0.00 -0.13 1.25 3.64 0.78 -2.78 116.57 119.38 1py1 h LYS 140 Ca -0.02 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.26 1py1 h LYS 140 Cb 1.44 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.24 1py1 h LYS 140 CO 0.12 0.83 -0.36 -0.22 -2.27 0.00 0.00 179.45 177.55 1py1 h LYS 141 N 0.00 0.28 0.00 1.90 3.64 -0.13 -1.99 116.57 120.26 1py1 h LYS 141 Ca -0.01 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1py1 h LYS 141 Cb 1.63 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.44 1py1 h LYS 141 CO 0.11 0.61 0.00 1.04 -2.27 0.00 0.00 179.45 178.94 1py1 n GLN 142 N -4.06 0.68 -1.84 1.90 6.02 -1.08 -4.85 117.38 114.14 1py1 n GLN 142 Ca -0.01 0.02 -0.06 0.00 -0.01 0.00 0.00 57.00 56.93 1py1 n GLN 142 Cb 0.45 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 30.20 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 0.65 0.34 0.16 1.08 0.00 -0.75 -4.94 105.19 101.74 1py1 n GLY 143 Ca 0.17 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 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 1.41 -0.02 -0.61 1.08 -1.68 -3.50 117.51 114.19 1py1 h ILE 144 Ca -0.15 -2.32 0.00 0.00 -0.39 0.00 0.00 64.86 62.00 1py1 h ILE 144 Cb 0.90 2.27 0.00 0.00 -3.07 0.00 0.00 36.82 36.93 1py1 h ILE 144 CO 0.18 0.69 0.00 0.52 -0.69 0.00 0.00 178.15 178.86