#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qiy h VAL 5 N 0.00 1.24 -0.74 2.28 3.04 -2.05 -1.45 116.25 118.56 2qiy h VAL 5 Ca 0.00 -0.97 0.00 0.00 -1.01 0.00 0.00 66.70 64.73 2qiy h VAL 5 Cb 0.00 0.86 -0.04 0.00 -2.01 0.00 0.00 31.29 30.10 2qiy h VAL 5 CO 0.00 0.34 0.47 -0.61 -1.01 0.00 0.00 177.57 176.76 2qiy h GLN 6 N 0.73 0.99 -0.41 4.17 4.15 -2.01 -0.96 115.11 121.76 2qiy h GLN 6 Ca 0.15 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 2qiy h GLN 6 Cb 0.42 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.88 2qiy h GLN 6 CO 0.02 0.69 0.23 -0.44 -1.93 0.00 0.00 178.83 177.40 2qiy h ASP 7 N 1.01 0.51 -0.77 -0.69 3.45 -1.89 -1.35 116.42 116.68 2qiy h ASP 7 Ca 0.27 -0.08 0.04 0.00 0.43 0.00 0.00 57.03 57.70 2qiy h ASP 7 Cb -0.07 -0.13 -0.05 0.00 -0.56 0.00 0.00 39.33 38.52 2qiy h ASP 7 CO -0.05 0.44 0.48 0.40 -1.57 0.00 0.00 179.24 178.93 2qiy h ILE 8 N 0.54 1.07 -0.26 0.35 2.04 -0.97 -0.41 117.51 119.86 2qiy h ILE 8 Ca 0.15 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.64 2qiy h ILE 8 Cb 0.04 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.19 2qiy h ILE 8 CO -0.02 0.17 -0.05 0.00 0.00 0.00 0.00 178.15 178.24 2qiy h PHE 10 N 0.25 0.12 -0.59 0.00 3.57 -1.12 -1.54 116.94 117.64 2qiy h PHE 10 Ca 0.07 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.61 2qiy h PHE 10 Cb 0.51 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 39.16 2qiy h PHE 10 CO 0.05 0.26 0.30 0.00 -2.23 0.00 0.00 178.31 176.69 2qiy h ALA 11 N 0.85 0.77 -0.20 2.41 0.00 -1.07 -1.64 119.26 120.37 2qiy h ALA 11 Ca 0.03 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2qiy h ALA 11 Cb 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2qiy h ALA 11 CO -0.00 -0.05 0.06 0.35 0.00 0.00 0.00 179.25 179.61 2qiy h PHE 12 N 0.56 0.10 -0.11 0.00 3.04 -0.76 -0.37 116.94 119.40 2qiy h PHE 12 Ca 0.27 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.22 2qiy h PHE 12 Cb 0.19 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.68 2qiy h PHE 12 CO -0.10 0.05 0.05 -0.07 -2.02 0.00 0.00 178.31 176.21 2qiy h LEU 13 N 0.15 0.16 -0.10 0.59 4.07 -0.93 0.16 115.31 119.41 2qiy h LEU 13 Ca 0.09 -0.16 0.03 0.00 0.08 0.00 0.00 57.88 57.92 2qiy h LEU 13 Cb 0.07 -0.04 -0.03 0.00 1.08 0.00 0.00 40.66 41.73 2qiy h LEU 13 CO -0.10 0.27 -0.10 1.56 -1.08 0.00 0.00 178.44 178.99 2qiy h GLN 14 N 0.03 -0.11 -0.41 1.13 4.20 -1.23 -2.24 115.11 116.49 2qiy h GLN 14 Ca 0.04 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 2qiy h GLN 14 Cb 0.16 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 2qiy h GLN 14 CO -0.00 -0.07 0.15 -0.91 -0.67 0.00 0.00 178.83 177.32 2qiy h ASN 15 N -0.12 0.57 -0.07 1.46 2.35 -0.88 -1.30 115.58 117.59 2qiy h ASN 15 Ca 0.07 -0.18 0.02 0.00 -0.55 0.00 0.00 56.30 55.66 2qiy h ASN 15 Cb 0.22 -0.15 -0.06 0.00 0.05 0.00 0.00 38.32 38.38 2qiy h ASN 15 CO -0.17 0.60 -0.52 0.22 -1.65 0.00 0.00 177.43 175.90 2qiy h TYR 16 N 0.51 -1.55 -0.04 1.19 3.20 -0.52 0.09 116.97 119.84 2qiy h TYR 16 Ca 0.13 0.05 -0.12 0.00 3.14 0.00 0.00 58.73 61.94 2qiy h TYR 16 Cb 0.22 0.69 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 2qiy h TYR 16 CO 0.00 -0.54 -0.52 1.88 -1.64 0.00 0.00 178.16 177.34 2qiy h TYR 17 N -0.61 0.14 -0.08 -3.82 0.05 -1.40 -2.80 116.97 108.44 2qiy h TYR 17 Ca 0.02 -0.05 -0.19 0.00 0.05 0.00 0.00 58.73 58.57 2qiy h TYR 17 Cb 0.68 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 38.39 2qiy h TYR 17 CO -0.55 0.61 -0.73 0.93 -1.05 0.00 0.00 178.16 177.37 2qiy h GLU 18 N 0.09 0.43 -0.10 4.88 5.08 -1.03 -2.87 114.58 121.06 2qiy h GLU 18 Ca -0.00 -0.35 -0.10 0.00 -1.00 0.00 0.00 59.36 57.91 2qiy h GLU 18 Cb 0.95 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 2qiy h GLU 18 CO 0.07 0.99 -0.39 0.00 -1.00 0.00 0.00 179.01 178.68 2qiy h ARG 19 N 0.30 0.21 -0.45 2.33 3.08 -0.91 -1.83 114.38 117.12 2qiy h ARG 19 Ca -0.03 -0.10 0.02 0.00 0.07 0.00 0.00 59.98 59.94 2qiy h ARG 19 Cb 1.30 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.33 2qiy h ARG 19 CO 0.13 0.57 0.30 1.98 -1.07 0.00 0.00 179.97 181.88 2qiy h MET 20 N 0.18 0.53 0.01 0.04 4.05 -1.40 0.24 114.93 118.58 2qiy h MET 20 Ca 0.02 -0.03 -0.22 0.00 -0.28 0.00 0.00 59.70 59.19 2qiy h MET 20 Cb 0.77 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 31.45 2qiy h MET 20 CO 0.06 0.35 -0.94 -0.09 0.23 0.00 0.00 176.91 176.52 2qiy h ARG 21 N 0.55 0.34 0.04 0.39 2.43 -1.13 -3.28 114.38 113.72 2qiy h ARG 21 Ca 0.17 -0.38 -0.35 0.00 -0.81 0.00 0.00 59.98 58.62 2qiy h ARG 21 Cb 0.02 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 2qiy h ARG 21 CO -0.04 1.07 -2.05 0.25 -1.51 0.00 0.00 179.97 177.69 2qiy n THR 22 N -3.71 1.62 -3.12 0.20 -2.24 -0.89 -4.74 114.28 101.39 2qiy n THR 22 Ca -0.06 -0.72 0.02 0.00 -2.27 0.00 0.00 64.05 61.02 2qiy n THR 22 Cb 0.84 -1.25 -0.01 0.00 -2.10 0.00 0.00 70.33 67.81 2qiy n THR 22 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2qiy s ASP 23 N -6.40 -1.28 0.55 3.42 -1.08 0.82 -5.02 116.67 107.67 2qiy s ASP 23 Ca -0.17 -0.49 0.26 0.00 -0.52 0.00 0.00 52.55 51.64 2qiy s ASP 23 Cb 0.07 1.67 1.45 0.00 -1.46 0.00 0.00 42.92 44.66 2qiy s ASP 23 CO 0.77 -0.16 2.01 -0.65 0.52 0.00 0.00 175.17 177.65 2qiy h PRO 24 N 6.87 0.00 0.00 4.34 0.11 -1.72 -2.26 132.00 139.34 2qiy h PRO 24 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 2qiy h PRO 24 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2qiy h PRO 24 CO 0.07 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.73 2qiy n SER 25 N -4.17 0.09 -0.00 -2.05 3.41 -1.26 -2.77 113.62 106.86 2qiy n SER 25 Ca 0.08 0.52 0.07 0.00 -0.26 0.00 0.00 58.87 59.27 2qiy n SER 25 Cb 0.55 -0.54 -0.08 0.00 -0.26 0.00 0.00 64.21 63.88 2qiy n SER 25 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2qiy n LYS 26 N -1.59 2.22 -0.33 4.33 5.02 -0.85 -4.60 118.16 122.35 2qiy n LYS 26 Ca 0.05 -0.01 0.16 0.00 -2.02 0.00 0.00 58.31 56.48 2qiy n LYS 26 Cb 0.24 -1.17 0.39 0.00 -0.02 0.00 0.00 35.03 34.47 2qiy n LYS 26 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 2qiy h LEU 27 N 0.00 0.67 -2.12 -0.35 3.38 -1.51 -2.42 115.31 112.96 2qiy h LEU 27 Ca 0.00 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2qiy h LEU 27 Cb 0.36 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2qiy h LEU 27 CO 0.00 0.20 -0.04 0.00 0.09 0.00 0.00 178.44 178.69 2qiy h ALA 28 N 1.65 1.08 0.00 1.53 0.00 -1.81 -1.53 119.26 120.18 2qiy h ALA 28 Ca 0.58 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.46 2qiy h ALA 28 Cb 1.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2qiy h ALA 28 CO -0.36 0.05 0.00 0.66 0.00 0.00 0.00 179.25 179.60 2qiy n TYR 29 N -3.25 0.17 1.58 0.00 4.01 -0.91 -1.65 117.16 117.10 2qiy n TYR 29 Ca -0.01 0.05 0.15 0.00 -0.16 0.00 0.00 57.90 57.93 2qiy n TYR 29 Cb 0.21 -0.59 0.74 0.00 -0.31 0.00 0.00 39.34 39.39 2qiy n TYR 29 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2qiy n PHE 30 N -1.64 0.00 -3.97 -0.72 3.01 -0.58 -4.84 117.46 108.72 2qiy n PHE 30 Ca 0.06 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.19 2qiy n PHE 30 Cb 0.30 -0.16 -0.05 0.00 -0.01 0.00 0.00 39.48 39.56 2qiy n PHE 30 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 2qiy s TYR 31 N -2.35 3.44 0.73 1.38 2.02 -0.66 -0.76 117.35 121.15 2qiy s TYR 31 Ca 0.34 0.25 -0.16 0.00 -0.37 0.00 0.00 57.07 57.14 2qiy s TYR 31 Cb 0.21 -1.76 0.03 0.00 -0.40 0.00 0.00 41.96 40.04 2qiy s TYR 31 CO 0.43 0.59 1.13 0.00 -1.57 0.00 0.00 175.55 176.13 2qiy n ALA 32 N 0.72 0.18 -0.03 3.71 0.00 0.16 -4.77 120.51 120.48 2qiy n ALA 32 Ca -0.09 -0.19 0.10 0.00 0.00 0.00 0.00 53.44 53.26 2qiy n ALA 32 Cb 0.52 -2.21 0.50 0.00 0.00 0.00 0.00 19.45 18.25 2qiy n ALA 32 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qiy h SER 33 N -0.28 0.36 -0.55 0.00 4.64 -1.94 -2.05 113.55 113.72 2qiy h SER 33 Ca -0.48 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.59 2qiy h SER 33 Cb 1.32 -0.07 -0.15 0.00 -0.31 0.00 0.00 62.40 63.19 2qiy h SER 33 CO 0.48 0.23 0.16 0.35 -0.87 0.00 0.00 176.83 177.18 2qiy n THR 34 N -4.47 2.74 -1.61 2.95 -2.24 -1.26 -0.83 114.28 109.55 2qiy n THR 34 Ca 0.07 -2.33 -0.33 0.00 -2.27 0.00 0.00 64.05 59.19 2qiy n THR 34 Cb 0.27 -0.36 0.07 0.00 -2.10 0.00 0.00 70.33 68.21 2qiy n THR 34 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qiy s ALA 35 N -3.19 2.32 -0.13 6.98 0.00 -0.77 -4.54 121.76 122.43 2qiy s ALA 35 Ca 0.49 0.64 -0.02 0.00 0.00 0.00 0.00 51.96 53.07 2qiy s ALA 35 Cb 0.42 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 20.15 2qiy s ALA 35 CO 0.05 -1.52 -0.08 -1.21 0.00 0.00 0.00 175.76 173.00 2qiy s GLU 36 N -4.07 3.44 -0.05 0.00 0.41 -0.31 -0.43 118.70 117.69 2qiy s GLU 36 Ca 0.69 -0.59 0.06 0.00 -0.41 0.00 0.00 54.97 54.72 2qiy s GLU 36 Cb -0.23 -2.76 -0.01 0.00 -1.78 0.00 0.00 34.13 29.35 2qiy s GLU 36 CO 0.43 0.29 -0.24 -1.17 -0.49 0.00 0.00 175.26 174.08 2qiy s LEU 37 N 0.21 2.05 -0.25 1.80 2.96 0.60 -1.78 118.68 124.26 2qiy s LEU 37 Ca -0.05 -0.49 0.00 0.00 -0.22 0.00 0.00 54.13 53.38 2qiy s LEU 37 Cb -0.14 -1.33 0.07 0.00 0.50 0.00 0.00 46.19 45.29 2qiy s LEU 37 CO 0.04 0.25 0.00 -0.89 -1.32 0.00 0.00 176.35 174.43 2qiy s THR 38 N -0.23 1.33 0.16 3.68 2.01 0.65 -0.01 115.64 123.24 2qiy s THR 38 Ca -0.01 -1.27 0.04 0.00 0.31 0.00 0.00 61.69 60.75 2qiy s THR 38 Cb -0.13 -1.75 -0.05 0.00 0.01 0.00 0.00 72.50 70.59 2qiy s THR 38 CO 0.03 -0.28 -0.06 -2.28 -0.69 0.00 0.00 174.62 171.33 2qiy s HIS 39 N 1.45 1.27 -0.39 4.92 2.46 -0.41 -1.38 115.29 123.21 2qiy s HIS 39 Ca -0.00 -0.85 -0.44 0.00 0.47 0.00 0.00 55.06 54.24 2qiy s HIS 39 Cb -0.18 -0.69 -0.18 0.00 -0.13 0.00 0.00 32.58 31.40 2qiy s HIS 39 CO -0.10 -0.01 1.67 2.41 -2.47 0.00 0.00 174.74 176.23 2qiy n THR 40 N -0.23 0.15 -2.53 0.89 -1.04 -1.26 -0.18 114.28 110.08 2qiy n THR 40 Ca -0.09 -0.03 -0.40 0.00 -2.04 0.00 0.00 64.05 61.49 2qiy n THR 40 Cb 0.62 -0.86 -0.03 0.00 -1.82 0.00 0.00 70.33 68.24 2qiy n THR 40 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2qiy s ASN 41 N 3.26 6.46 0.33 8.00 3.84 0.22 -4.73 114.94 132.32 2qiy s ASN 41 Ca 1.02 -1.52 0.24 0.00 0.21 0.00 0.00 52.86 52.81 2qiy s ASN 41 Cb -1.29 -2.57 1.21 0.00 -0.55 0.00 0.00 41.25 38.05 2qiy s ASN 41 CO 0.74 -1.55 1.73 1.88 -2.79 0.00 0.00 177.10 177.11 2qiy h TYR 42 N 9.64 0.00 0.00 0.43 0.99 -1.87 -2.34 116.97 123.82 2qiy h TYR 42 Ca 0.22 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.95 2qiy h TYR 42 Cb 0.99 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.72 2qiy h TYR 42 CO 1.29 0.00 -0.26 1.04 -0.00 0.00 0.00 178.16 180.24 2qiy n GLN 43 N -2.33 0.02 0.00 4.88 3.00 -1.26 -5.15 117.38 116.54 2qiy n GLN 43 Ca -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2qiy n GLN 43 Cb 0.10 -1.52 0.00 0.00 0.00 0.00 0.00 30.24 28.82 2qiy n GLN 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2qiy n SER 44 N -1.56 0.00 0.00 1.08 7.64 -0.88 -5.25 113.62 114.65 2qiy n SER 44 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 2qiy n SER 44 Cb 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 2qiy n SER 44 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2qiy n ASP 51 N 0.00 0.00 -0.52 6.43 10.43 -1.26 -5.09 116.55 126.54 2qiy n ASP 51 Ca 0.00 0.00 0.05 0.00 2.57 0.00 0.00 54.79 57.41 2qiy n ASP 51 Cb 0.00 0.00 0.14 0.00 1.84 0.00 0.00 41.12 43.10 2qiy n ASP 51 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 2qiy n ASP 52 N 0.00 2.89 -4.33 -2.24 3.85 -1.26 -4.96 116.55 110.51 2qiy n ASP 52 Ca 0.00 -2.29 -0.17 0.00 -0.71 0.00 0.00 54.79 51.61 2qiy n ASP 52 Cb 0.00 -0.26 -0.10 0.00 -1.35 0.00 0.00 41.12 39.41 2qiy n ASP 52 CO 0.00 0.00 0.00 0.68 -1.01 0.00 0.00 177.20 176.87 2qiy s VAL 53 N -1.52 1.42 0.10 2.12 -7.23 -1.26 -4.47 120.40 109.57 2qiy s VAL 53 Ca 0.23 -2.12 0.07 0.00 -1.81 0.00 0.00 61.98 58.35 2qiy s VAL 53 Cb 0.15 -2.11 -0.03 0.00 0.56 0.00 0.00 36.38 34.95 2qiy s VAL 53 CO 0.10 -0.54 -0.18 -0.76 -0.31 0.00 0.00 175.10 173.41 2qiy s LEU 54 N -3.29 2.32 0.60 1.32 1.43 -1.26 -5.11 118.68 114.68 2qiy s LEU 54 Ca 0.23 -0.70 -0.16 0.00 -1.03 0.00 0.00 54.13 52.47 2qiy s LEU 54 Cb 0.02 -0.71 -0.03 0.00 0.03 0.00 0.00 46.19 45.49 2qiy s LEU 54 CO 0.06 -0.02 1.08 -2.16 0.23 0.00 0.00 176.35 175.54 2qiy s PRO 55 N -2.04 3.22 0.33 1.29 0.04 -1.26 -4.72 135.00 131.86 2qiy s PRO 55 Ca 0.05 1.31 0.10 0.00 0.04 0.00 0.00 61.00 62.50 2qiy s PRO 55 Cb -0.09 -2.01 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 2qiy s PRO 55 CO 0.04 -0.90 -0.12 0.95 0.04 0.00 0.00 177.00 177.01 2qiy s THR 56 N -2.31 2.32 0.02 1.26 -4.23 -1.26 -0.61 115.64 110.83 2qiy s THR 56 Ca 0.66 -2.25 0.03 0.00 -1.18 0.00 0.00 61.69 58.95 2qiy s THR 56 Cb -0.18 -2.57 -0.02 0.00 1.34 0.00 0.00 72.50 71.07 2qiy s THR 56 CO 0.36 -0.25 -0.10 0.54 -0.54 0.00 0.00 174.62 174.63 2qiy s VAL 57 N -2.58 0.77 -0.07 2.29 0.11 0.75 -4.68 120.40 116.98 2qiy s VAL 57 Ca 0.32 -0.75 -0.17 0.00 -2.93 0.00 0.00 61.98 58.44 2qiy s VAL 57 Cb 0.01 -0.71 -0.05 0.00 -1.53 0.00 0.00 36.38 34.10 2qiy s VAL 57 CO 0.16 -0.02 0.47 -0.54 -3.33 0.00 0.00 175.10 171.83 2qiy s LYS 58 N -0.87 4.22 -0.02 1.54 1.02 -1.26 -1.28 119.74 123.09 2qiy s LYS 58 Ca -0.01 0.47 0.01 0.00 0.02 0.00 0.00 55.97 56.46 2qiy s LYS 58 Cb -0.06 -3.36 0.01 0.00 -0.52 0.00 0.00 37.83 33.89 2qiy s LYS 58 CO 0.00 0.34 -0.05 0.08 -0.92 0.00 0.00 175.35 174.80 2qiy s VAL 59 N 0.03 0.49 -0.09 3.17 1.01 0.99 -5.00 120.40 121.00 2qiy s VAL 59 Ca 0.26 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.10 2qiy s VAL 59 Cb -0.16 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.76 2qiy s VAL 59 CO 0.12 0.18 -0.19 -0.89 0.00 0.00 0.00 175.10 174.31 2qiy s THR 60 N 0.43 1.70 0.00 3.92 2.01 -1.26 -0.29 115.64 122.14 2qiy s THR 60 Ca -0.05 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.14 2qiy s THR 60 Cb -0.09 -1.49 0.00 0.00 0.01 0.00 0.00 72.50 70.93 2qiy s THR 60 CO -0.00 0.48 0.00 0.61 -0.69 0.00 0.00 174.62 175.02 2qiy n GLY 61 N 3.64 -0.09 0.33 4.40 0.00 0.43 -4.31 105.19 109.59 2qiy n GLY 61 Ca -0.21 -1.50 -0.05 0.00 0.00 0.00 0.00 46.02 44.26 2qiy n GLY 61 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2qiy h ARG 62 N 0.00 1.12 -0.33 1.61 2.43 -1.12 -0.96 114.38 117.13 2qiy h ARG 62 Ca 0.00 -0.21 0.05 0.00 -0.81 0.00 0.00 59.98 59.01 2qiy h ARG 62 Cb 0.00 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.33 2qiy h ARG 62 CO 0.00 0.92 0.06 0.93 -1.51 0.00 0.00 179.97 180.37 2qiy h GLU 63 N 1.09 0.17 -0.18 0.20 5.08 -1.88 0.90 114.58 119.95 2qiy h GLU 63 Ca 0.25 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.49 2qiy h GLU 63 Cb 0.23 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2qiy h GLU 63 CO -0.02 0.11 -0.36 -0.91 -1.00 0.00 0.00 179.01 176.83 2qiy h ASN 64 N 0.17 0.40 -0.59 1.42 2.35 -1.66 -1.69 115.58 115.98 2qiy h ASN 64 Ca 0.15 -0.16 -0.07 0.00 -0.55 0.00 0.00 56.30 55.67 2qiy h ASN 64 Cb 0.17 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 2qiy h ASN 64 CO -0.21 0.74 0.10 0.40 -1.65 0.00 0.00 177.43 176.81 2qiy h ILE 65 N 0.33 1.26 -0.55 2.81 2.04 -0.88 -0.79 117.51 121.73 2qiy h ILE 65 Ca 0.04 -0.98 -0.05 0.00 1.00 0.00 0.00 64.86 64.87 2qiy h ILE 65 Cb 0.79 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 2qiy h ILE 65 CO 0.06 0.36 0.15 -1.13 0.00 0.00 0.00 178.15 177.60 2qiy h ASN 66 N 0.87 0.81 -0.91 1.72 -0.73 -0.62 -1.43 115.58 115.30 2qiy h ASN 66 Ca 0.18 -0.22 0.04 0.00 1.87 0.00 0.00 56.30 58.17 2qiy h ASN 66 Cb 0.42 -0.21 -0.06 0.00 0.27 0.00 0.00 38.32 38.74 2qiy h ASN 66 CO 0.01 0.82 0.59 0.50 -0.37 0.00 0.00 177.43 178.98 2qiy h LYS 67 N 0.76 1.10 0.64 6.67 3.64 -1.07 0.57 116.57 128.88 2qiy h LYS 67 Ca 0.17 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 2qiy h LYS 67 Cb 0.31 -0.25 0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2qiy h LYS 67 CO -0.00 0.73 -0.31 0.35 -2.27 0.00 0.00 179.45 177.95 2qiy h PHE 68 N 1.13 -0.79 -0.62 1.91 3.57 -0.83 -0.45 116.94 120.86 2qiy h PHE 68 Ca 0.37 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 2qiy h PHE 68 Cb 0.03 0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 2qiy h PHE 68 CO -0.01 -0.47 0.34 0.74 -2.23 0.00 0.00 178.31 176.68 2qiy h PHE 69 N -0.92 0.85 -0.35 0.41 0.05 -1.13 -2.80 116.94 113.04 2qiy h PHE 69 Ca -0.09 -0.02 -0.02 0.00 3.82 0.00 0.00 57.97 61.67 2qiy h PHE 69 Cb 0.68 -0.27 -0.02 0.00 2.00 0.00 0.00 35.95 38.34 2qiy h PHE 69 CO -0.02 0.61 0.16 0.77 -0.18 0.00 0.00 178.31 179.65 2qiy h SER 70 N 0.84 0.48 0.10 2.17 0.02 -0.90 -1.11 113.55 115.15 2qiy h SER 70 Ca 0.22 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2qiy h SER 70 Cb 0.04 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 2qiy h SER 70 CO -0.04 0.49 -0.04 0.03 -1.14 0.00 0.00 176.83 176.13 2qiy h ARG 71 N 0.43 0.00 -0.31 3.45 -0.00 -1.00 -2.64 114.38 114.31 2qiy h ARG 71 Ca 0.12 0.00 -0.04 0.00 -0.50 0.00 0.00 59.98 59.56 2qiy h ARG 71 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.10 2qiy h ARG 71 CO -0.01 0.04 0.01 0.09 0.00 0.00 0.00 179.97 180.10 2qiy n ASN 72 N -3.88 3.82 -0.29 7.04 3.02 -0.92 -4.83 115.26 119.22 2qiy n ASN 72 Ca -0.03 -3.13 -0.08 0.00 -0.03 0.00 0.00 54.58 51.32 2qiy n ASN 72 Cb 0.13 -0.57 -0.04 0.00 -0.61 0.00 0.00 39.78 38.69 2qiy n ASN 72 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 2qiy h ASP 73 N 1.81 -1.66 -0.43 6.41 1.82 -0.83 0.19 116.42 123.74 2qiy h ASP 73 Ca 0.05 0.28 0.01 0.00 -0.39 0.00 0.00 57.03 56.98 2qiy h ASP 73 Cb 1.55 0.77 -0.03 0.00 0.68 0.00 0.00 39.33 42.30 2qiy h ASP 73 CO 0.29 -0.31 0.26 0.00 -1.61 0.00 0.00 179.24 177.87 2qiy h ALA 74 N 0.72 0.54 -0.27 -0.78 0.00 -1.88 -0.19 119.26 117.41 2qiy h ALA 74 Ca 0.21 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2qiy h ALA 74 Cb 0.54 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2qiy h ALA 74 CO -0.81 -0.05 0.08 -0.22 0.00 0.00 0.00 179.25 178.25 2qiy h LYS 75 N 0.53 0.42 -0.64 0.00 1.63 -1.75 -3.04 116.57 113.72 2qiy h LYS 75 Ca 0.16 -0.10 0.05 0.00 -0.85 0.00 0.00 60.65 59.92 2qiy h LYS 75 Cb -0.02 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.51 2qiy h LYS 75 CO -0.06 0.50 0.36 0.28 -3.45 0.00 0.00 179.45 177.08 2qiy h VAL 76 N 0.27 1.00 -0.02 2.00 2.07 -0.30 -1.23 116.25 120.04 2qiy h VAL 76 Ca 0.09 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.37 2qiy h VAL 76 Cb 0.26 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 2qiy h VAL 76 CO -0.00 0.13 0.07 0.03 0.02 0.00 0.00 177.57 177.82 2qiy h ARG 77 N 0.69 0.00 -0.10 1.57 3.08 -0.94 -2.30 114.38 116.38 2qiy h ARG 77 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 2qiy h ARG 77 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2qiy h ARG 77 CO -0.16 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.61 2qiy n SER 78 N -3.22 2.36 -4.72 7.04 3.41 -0.47 -4.66 113.62 113.36 2qiy n SER 78 Ca -0.02 -1.79 -0.42 0.00 -0.26 0.00 0.00 58.87 56.38 2qiy n SER 78 Cb 0.15 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 2qiy n SER 78 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2qiy s LEU 79 N -1.86 4.40 0.07 1.04 0.20 -0.87 -2.13 118.68 119.54 2qiy s LEU 79 Ca 0.34 2.26 0.02 0.00 0.69 0.00 0.00 54.13 57.44 2qiy s LEU 79 Cb 0.20 -3.59 -0.03 0.00 -0.43 0.00 0.00 46.19 42.33 2qiy s LEU 79 CO 0.31 -0.53 -0.07 -0.54 -0.29 0.00 0.00 176.35 175.23 2qiy s LYS 80 N 0.53 0.70 0.10 1.98 1.02 0.86 -4.88 119.74 120.04 2qiy s LYS 80 Ca 0.59 -1.08 -0.17 0.00 0.02 0.00 0.00 55.97 55.32 2qiy s LYS 80 Cb -0.34 -0.23 0.04 0.00 -0.52 0.00 0.00 37.83 36.77 2qiy s LYS 80 CO 0.33 0.01 0.42 -0.48 -0.92 0.00 0.00 175.35 174.71 2qiy s LEU 81 N -2.41 0.32 -0.29 3.17 2.34 -1.26 -0.84 118.68 119.71 2qiy s LEU 81 Ca 0.02 -0.18 -0.08 0.00 0.06 0.00 0.00 54.13 53.95 2qiy s LEU 81 Cb -0.01 1.87 -0.01 0.00 -0.56 0.00 0.00 46.19 47.48 2qiy s LEU 81 CO -0.03 -0.80 0.11 -0.75 -1.06 0.00 0.00 176.35 173.83 2qiy s LYS 82 N -3.33 3.37 -0.33 1.48 2.20 0.22 -5.00 119.74 118.34 2qiy s LYS 82 Ca -0.00 -0.68 -0.19 0.00 -0.36 0.00 0.00 55.97 54.73 2qiy s LYS 82 Cb 0.01 -3.45 -0.01 0.00 -1.51 0.00 0.00 37.83 32.88 2qiy s LYS 82 CO -0.09 -0.36 0.58 -1.17 -0.36 0.00 0.00 175.35 173.95 2qiy s LEU 83 N 1.58 4.24 -0.19 5.43 0.20 -1.26 -1.22 118.68 127.46 2qiy s LEU 83 Ca 0.05 0.19 -0.03 0.00 0.69 0.00 0.00 54.13 55.02 2qiy s LEU 83 Cb -0.16 -2.70 -0.21 0.00 -0.43 0.00 0.00 46.19 42.68 2qiy s LEU 83 CO 0.04 -0.49 0.07 0.47 -0.29 0.00 0.00 176.35 176.15 2qiy n ASP 84 N 5.84 2.05 -3.88 3.68 10.43 0.38 -4.98 116.55 130.07 2qiy n ASP 84 Ca -0.03 0.05 -0.11 0.00 2.57 0.00 0.00 54.79 57.28 2qiy n ASP 84 Cb 0.49 -0.65 -0.10 0.00 1.84 0.00 0.00 41.12 42.70 2qiy n ASP 84 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 2qiy s THR 85 N -2.54 0.09 -0.02 -3.53 -4.23 -0.98 -4.99 115.64 99.45 2qiy s THR 85 Ca -0.29 -0.78 0.01 0.00 -1.18 0.00 0.00 61.69 59.45 2qiy s THR 85 Cb 0.08 -0.53 0.01 0.00 1.34 0.00 0.00 72.50 73.40 2qiy s THR 85 CO 0.68 -0.43 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.66 2qiy s ILE 86 N -1.67 0.43 0.04 2.99 1.01 -1.26 -1.82 121.20 120.91 2qiy s ILE 86 Ca -0.13 -0.13 0.06 0.00 0.00 0.00 0.00 60.65 60.46 2qiy s ILE 86 Cb -0.06 -0.43 -0.02 0.00 0.01 0.00 0.00 42.46 41.95 2qiy s ILE 86 CO 0.00 0.17 -0.19 -1.81 0.00 0.00 0.00 174.94 173.11 2qiy s ASP 87 N 0.50 2.22 0.06 3.58 1.01 -0.09 -5.00 116.67 118.96 2qiy s ASP 87 Ca -0.06 -0.49 -0.05 0.00 0.71 0.00 0.00 52.55 52.66 2qiy s ASP 87 Cb -0.09 -0.18 -0.02 0.00 1.01 0.00 0.00 42.92 43.64 2qiy s ASP 87 CO -0.00 0.13 0.08 0.72 0.21 0.00 0.00 175.17 176.31 2qiy s PHE 88 N -0.78 0.31 0.08 4.23 -0.12 -1.26 -0.71 117.98 119.72 2qiy s PHE 88 Ca 0.06 -0.76 -0.12 0.00 -0.05 0.00 0.00 56.93 56.06 2qiy s PHE 88 Cb -0.08 -0.21 0.01 0.00 -0.63 0.00 0.00 43.02 42.11 2qiy s PHE 88 CO 0.01 -0.44 0.27 -0.65 -0.05 0.00 0.00 175.22 174.37 2qiy s GLN 89 N -3.63 0.87 0.48 1.99 -0.21 -0.58 -5.01 119.66 113.57 2qiy s GLN 89 Ca 0.04 -0.72 -0.13 0.00 0.02 0.00 0.00 55.36 54.56 2qiy s GLN 89 Cb 0.05 0.37 -0.07 0.00 1.00 0.00 0.00 33.01 34.36 2qiy s GLN 89 CO -0.09 -0.29 0.89 0.71 -2.12 0.00 0.00 175.29 174.39 2qiy s TYR 90 N -3.30 3.49 0.36 0.91 1.51 -1.26 -0.42 117.35 118.63 2qiy s TYR 90 Ca 0.00 1.24 -0.14 0.00 -1.01 0.00 0.00 57.07 57.16 2qiy s TYR 90 Cb 0.02 -2.62 0.04 0.00 -0.11 0.00 0.00 41.96 39.29 2qiy s TYR 90 CO -0.08 -0.30 0.71 -0.08 -1.11 0.00 0.00 175.55 174.69 2qiy s THR 91 N -2.60 0.00 0.00 -0.71 -1.32 0.32 -4.81 115.64 106.52 2qiy s THR 91 Ca 0.55 -1.12 0.00 0.00 -1.21 0.00 0.00 61.69 59.90 2qiy s THR 91 Cb -0.10 -2.68 0.00 0.00 -1.51 0.00 0.00 72.50 68.21 2qiy s THR 91 CO 0.35 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.37 2qiy n GLY 92 N -0.52 -0.57 3.68 6.08 0.00 -1.26 -1.30 105.19 111.30 2qiy n GLY 92 Ca -0.06 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.42 2qiy n GLY 92 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2qiy n HIS 93 N 0.00 2.60 -1.60 1.61 -0.00 -1.26 -1.87 115.22 114.71 2qiy n HIS 93 Ca 0.00 -0.22 -0.19 0.00 -0.00 0.00 0.00 57.72 57.32 2qiy n HIS 93 Cb 0.00 -2.75 -0.08 0.00 -0.00 0.00 0.00 29.99 27.16 2qiy n HIS 93 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2qiy n LEU 94 N 6.16 -1.40 -2.92 0.27 4.77 -1.26 -1.92 117.00 120.70 2qiy n LEU 94 Ca 0.19 0.44 -0.22 0.00 -0.03 0.00 0.00 56.01 56.39 2qiy n LEU 94 Cb 0.38 -2.64 0.02 0.00 -2.33 0.00 0.00 43.42 38.85 2qiy n LEU 94 CO 0.67 -0.94 -0.06 1.57 -1.33 0.00 0.00 177.39 177.29 2qiy n HIS 95 N -2.34 -1.75 0.54 -1.77 -0.00 -0.78 -4.88 115.22 104.24 2qiy n HIS 95 Ca -0.19 0.39 0.09 0.00 0.46 0.00 0.00 57.72 58.47 2qiy n HIS 95 Cb 0.62 -4.13 -0.12 0.00 -0.12 0.00 0.00 29.99 26.25 2qiy n HIS 95 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 2qiy n LYS 96 N -3.75 0.89 -2.40 1.57 4.76 -0.81 -4.34 118.16 114.08 2qiy n LYS 96 Ca -0.13 -0.06 -0.28 0.00 -2.87 0.00 0.00 58.31 54.97 2qiy n LYS 96 Cb 0.62 -1.38 0.01 0.00 -1.84 0.00 0.00 35.03 32.44 2qiy n LYS 96 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2qiy s SER 97 N -3.21 6.17 -0.13 4.39 0.01 -0.42 -4.52 113.70 115.99 2qiy s SER 97 Ca 0.02 1.03 0.02 0.00 1.31 0.00 0.00 55.95 58.33 2qiy s SER 97 Cb 0.13 -2.24 0.01 0.00 0.21 0.00 0.00 66.02 64.13 2qiy s SER 97 CO 0.75 -0.71 -0.17 -0.63 0.41 0.00 0.00 173.24 172.88 2qiy s ILE 98 N -2.89 1.69 -0.17 1.44 1.01 -0.09 -0.52 121.20 121.67 2qiy s ILE 98 Ca 0.50 -0.75 -0.16 0.00 0.00 0.00 0.00 60.65 60.24 2qiy s ILE 98 Cb -0.10 -1.53 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 2qiy s ILE 98 CO 0.47 0.48 0.42 -0.22 0.00 0.00 0.00 174.94 176.09 2qiy s LEU 99 N 1.02 4.20 -0.04 2.97 2.96 0.44 -0.36 118.68 129.87 2qiy s LEU 99 Ca -0.05 0.62 0.04 0.00 -0.22 0.00 0.00 54.13 54.52 2qiy s LEU 99 Cb -0.15 -2.57 -0.00 0.00 0.50 0.00 0.00 46.19 43.98 2qiy s LEU 99 CO -0.03 -0.04 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.18 2qiy s ILE 100 N 1.01 1.27 -0.09 6.68 1.01 0.32 -1.53 121.20 129.88 2qiy s ILE 100 Ca 0.21 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.28 2qiy s ILE 100 Cb -0.15 -1.10 0.00 0.00 0.01 0.00 0.00 42.46 41.22 2qiy s ILE 100 CO 0.08 0.37 -0.23 -0.32 0.00 0.00 0.00 174.94 174.84 2qiy s MET 101 N 0.11 2.85 0.11 2.79 1.75 0.11 -0.49 119.30 126.52 2qiy s MET 101 Ca -0.04 -0.83 0.10 0.00 -1.25 0.00 0.00 55.69 53.67 2qiy s MET 101 Cb -0.11 -2.19 -0.04 0.00 2.84 0.00 0.00 34.83 35.33 2qiy s MET 101 CO 0.02 0.19 -0.26 0.00 -0.65 0.00 0.00 175.02 174.31 2qiy s ALA 102 N 0.31 2.30 0.08 4.11 0.00 0.91 -0.92 121.76 128.56 2qiy s ALA 102 Ca -0.17 -1.40 0.03 0.00 0.00 0.00 0.00 51.96 50.43 2qiy s ALA 102 Cb -0.17 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 2qiy s ALA 102 CO 0.08 0.53 -0.09 0.95 0.00 0.00 0.00 175.76 177.22 2qiy s THR 103 N -1.00 0.83 -1.02 0.00 -4.23 -0.76 -0.51 115.64 108.96 2qiy s THR 103 Ca 0.13 -1.54 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 2qiy s THR 103 Cb -0.10 -1.22 0.00 0.00 1.34 0.00 0.00 72.50 72.52 2qiy s THR 103 CO 0.05 -0.54 0.00 0.61 -0.54 0.00 0.00 174.62 174.20 2qiy n GLY 104 N 0.72 -0.69 2.95 3.99 0.00 -0.76 -0.47 105.19 110.93 2qiy n GLY 104 Ca -0.17 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.14 2qiy n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qiy s GLU 105 N -0.41 1.50 0.07 1.61 2.02 -0.36 -1.00 118.70 122.13 2qiy s GLU 105 Ca 0.00 -0.30 0.05 0.00 0.02 0.00 0.00 54.97 54.75 2qiy s GLU 105 Cb 0.00 -1.40 -0.04 0.00 0.10 0.00 0.00 34.13 32.79 2qiy s GLU 105 CO 0.00 -0.12 -0.08 1.41 0.02 0.00 0.00 175.26 176.50 2qiy s MET 106 N 1.16 2.33 0.34 1.61 1.75 0.12 -0.61 119.30 126.00 2qiy s MET 106 Ca -0.06 -0.89 -0.13 0.00 -1.25 0.00 0.00 55.69 53.36 2qiy s MET 106 Cb -0.14 -2.40 0.03 0.00 2.84 0.00 0.00 34.83 35.16 2qiy s MET 106 CO -0.02 0.54 0.67 -0.59 -0.65 0.00 0.00 175.02 174.98 2qiy s PHE 107 N -1.15 0.30 0.19 4.11 -0.12 -0.02 0.03 117.98 121.34 2qiy s PHE 107 Ca 0.20 -0.81 0.06 0.00 -0.05 0.00 0.00 56.93 56.33 2qiy s PHE 107 Cb -0.11 0.54 -0.05 0.00 -0.63 0.00 0.00 43.02 42.77 2qiy s PHE 107 CO 0.12 -1.36 -0.09 -1.58 -0.05 0.00 0.00 175.22 172.26 2qiy s TRP 108 N -2.93 1.53 -0.36 3.49 0.51 -1.26 -0.09 118.94 119.82 2qiy s TRP 108 Ca 0.19 -0.73 -0.43 0.00 -2.12 0.00 0.00 56.10 53.01 2qiy s TRP 108 Cb -0.04 -0.79 -0.18 0.00 -0.81 0.00 0.00 33.47 31.66 2qiy s TRP 108 CO 0.12 0.17 1.65 2.41 -0.51 0.00 0.00 176.95 180.79 2qiy n THR 109 N -0.33 0.15 -0.94 2.01 -1.04 -0.91 -0.83 114.28 112.39 2qiy n THR 109 Ca -0.08 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 2qiy n THR 109 Cb 0.61 -0.85 0.00 0.00 -1.82 0.00 0.00 70.33 68.27 2qiy n THR 109 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qiy n GLY 110 N 3.97 0.80 3.95 3.41 0.00 -1.26 -5.03 105.19 111.03 2qiy n GLY 110 Ca 0.28 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.06 2qiy n GLY 110 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qiy s THR 111 N -3.34 5.15 1.00 2.61 -4.23 -0.01 -5.11 115.64 111.72 2qiy s THR 111 Ca 0.00 -0.57 -0.12 0.00 -1.18 0.00 0.00 61.69 59.82 2qiy s THR 111 Cb 0.00 -3.85 0.19 0.00 1.34 0.00 0.00 72.50 70.19 2qiy s THR 111 CO 0.00 -0.46 1.08 -2.16 -0.54 0.00 0.00 174.62 172.54 2qiy s PRO 112 N -4.11 0.39 0.47 3.99 0.04 -1.26 -4.62 135.00 129.89 2qiy s PRO 112 Ca 0.38 0.70 -0.15 0.00 0.04 0.00 0.00 61.00 61.97 2qiy s PRO 112 Cb -0.10 -1.72 -0.08 0.00 0.04 0.00 0.00 34.50 32.65 2qiy s PRO 112 CO 0.33 -2.81 0.91 0.14 0.04 0.00 0.00 177.00 175.62 2qiy s VAL 113 N -2.84 4.59 -0.07 -0.36 -7.23 -1.26 -4.61 120.40 108.62 2qiy s VAL 113 Ca 0.65 1.07 0.02 0.00 -1.81 0.00 0.00 61.98 61.92 2qiy s VAL 113 Cb -0.20 -3.71 0.01 0.00 0.56 0.00 0.00 36.38 33.05 2qiy s VAL 113 CO 0.59 -0.59 -0.12 -0.31 -0.31 0.00 0.00 175.10 174.37 2qiy s TYR 114 N -2.49 1.43 0.24 2.82 1.51 0.10 -4.94 117.35 116.03 2qiy s TYR 114 Ca 0.57 -0.53 -0.30 0.00 -1.01 0.00 0.00 57.07 55.80 2qiy s TYR 114 Cb -0.10 -1.06 -0.09 0.00 -0.11 0.00 0.00 41.96 40.60 2qiy s TYR 114 CO 0.29 -0.28 1.17 0.21 -1.11 0.00 0.00 175.55 175.83 2qiy s LYS 115 N 0.72 4.53 0.06 -0.62 2.47 -1.26 0.16 119.74 125.80 2qiy s LYS 115 Ca -0.14 1.89 -0.04 0.00 -1.56 0.00 0.00 55.97 56.12 2qiy s LYS 115 Cb -0.16 -3.20 -0.02 0.00 -1.46 0.00 0.00 37.83 32.99 2qiy s LYS 115 CO 0.03 0.02 0.06 -0.59 0.16 0.00 0.00 175.35 175.02 2qiy s PHE 116 N -0.60 0.34 0.01 4.03 -0.12 -0.17 -0.87 117.98 120.60 2qiy s PHE 116 Ca 0.49 -0.80 0.06 0.00 -0.05 0.00 0.00 56.93 56.63 2qiy s PHE 116 Cb -0.33 -0.24 -0.02 0.00 -0.63 0.00 0.00 43.02 41.80 2qiy s PHE 116 CO 0.40 -0.42 -0.19 0.00 -0.05 0.00 0.00 175.22 174.96 2qiy s GLN 118 N -0.72 0.19 -0.01 0.00 0.74 0.34 -0.84 119.66 119.35 2qiy s GLN 118 Ca 0.07 0.02 0.08 0.00 0.05 0.00 0.00 55.36 55.58 2qiy s GLN 118 Cb -0.08 -0.29 -0.02 0.00 1.10 0.00 0.00 33.01 33.72 2qiy s GLN 118 CO 0.00 -0.05 -0.26 0.95 -0.55 0.00 0.00 175.29 175.38 2qiy s THR 119 N 0.52 2.04 0.12 -0.34 -4.23 0.68 -0.07 115.64 114.37 2qiy s THR 119 Ca -0.05 -1.16 0.07 0.00 -1.18 0.00 0.00 61.69 59.38 2qiy s THR 119 Cb -0.07 -1.70 -0.04 0.00 1.34 0.00 0.00 72.50 72.02 2qiy s THR 119 CO -0.01 0.53 -0.18 -0.36 -0.54 0.00 0.00 174.62 174.06 2qiy s PHE 120 N -0.64 1.65 -0.06 3.99 0.40 0.36 -0.72 117.98 122.95 2qiy s PHE 120 Ca 0.10 -0.46 0.03 0.00 -0.60 0.00 0.00 56.93 56.00 2qiy s PHE 120 Cb -0.10 -0.87 0.00 0.00 0.51 0.00 0.00 43.02 42.56 2qiy s PHE 120 CO -0.00 0.21 -0.17 0.42 0.70 0.00 0.00 175.22 176.38 2qiy s ILE 121 N -1.61 1.44 -0.15 0.64 1.01 -0.59 -0.52 121.20 121.42 2qiy s ILE 121 Ca 0.08 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 60.04 2qiy s ILE 121 Cb -0.08 -1.27 -0.01 0.00 0.01 0.00 0.00 42.46 41.11 2qiy s ILE 121 CO 0.04 0.42 -0.11 -0.76 0.00 0.00 0.00 174.94 174.53 2qiy s LEU 122 N 0.37 2.75 -0.14 2.97 1.43 0.51 -1.03 118.68 125.55 2qiy s LEU 122 Ca -0.12 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 52.61 2qiy s LEU 122 Cb -0.15 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.41 2qiy s LEU 122 CO 0.04 0.13 -0.04 -0.22 0.23 0.00 0.00 176.35 176.50 2qiy s LEU 123 N 0.57 3.28 0.26 1.79 2.96 0.27 -0.91 118.68 126.91 2qiy s LEU 123 Ca -0.07 -0.08 -0.31 0.00 -0.22 0.00 0.00 54.13 53.45 2qiy s LEU 123 Cb -0.15 -1.78 -0.12 0.00 0.50 0.00 0.00 46.19 44.64 2qiy s LEU 123 CO 0.03 0.22 1.60 -2.65 -1.32 0.00 0.00 176.35 174.23 2qiy n PRO 124 N 3.21 2.60 -0.06 0.98 -0.02 -1.26 -0.51 135.00 139.94 2qiy n PRO 124 Ca -0.18 0.93 -0.04 0.00 -2.02 0.00 0.00 63.50 62.19 2qiy n PRO 124 Cb 0.53 -2.71 -0.03 0.00 -0.02 0.00 0.00 33.50 31.27 2qiy n PRO 124 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2qiy h SER 125 N 5.18 0.00 0.00 2.55 0.02 -1.94 -3.45 113.55 115.92 2qiy h SER 125 Ca -0.46 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.28 2qiy h SER 125 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2qiy h SER 125 CO 0.83 0.65 0.00 -1.54 -1.14 0.00 0.00 176.83 175.62 2qiy n SER 129 N -4.72 0.00 -4.99 3.07 3.41 -1.26 -5.01 113.62 104.12 2qiy n SER 129 Ca -0.03 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.38 2qiy n SER 129 Cb 0.13 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.14 2qiy n SER 129 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2qiy s THR 130 N -0.77 2.40 0.06 6.66 -4.23 -1.26 -5.13 115.64 113.36 2qiy s THR 130 Ca 0.00 -0.95 0.05 0.00 -1.18 0.00 0.00 61.69 59.62 2qiy s THR 130 Cb 0.00 -2.45 -0.03 0.00 1.34 0.00 0.00 72.50 71.36 2qiy s THR 130 CO 0.00 0.00 -0.15 -0.36 -0.54 0.00 0.00 174.62 173.57 2qiy s PHE 131 N -2.63 1.33 -0.09 3.99 0.40 -1.26 -4.47 117.98 115.24 2qiy s PHE 131 Ca 0.60 -0.40 -0.01 0.00 -0.60 0.00 0.00 56.93 56.53 2qiy s PHE 131 Cb -0.07 -0.77 -0.03 0.00 0.51 0.00 0.00 43.02 42.66 2qiy s PHE 131 CO 0.38 0.07 -0.03 -0.51 0.70 0.00 0.00 175.22 175.83 2qiy s ASP 132 N -1.42 4.97 -0.13 1.36 1.01 0.33 -4.81 116.67 117.98 2qiy s ASP 132 Ca 0.01 0.05 -0.29 0.00 0.71 0.00 0.00 52.55 53.03 2qiy s ASP 132 Cb -0.09 -1.39 -0.03 0.00 1.01 0.00 0.00 42.92 42.43 2qiy s ASP 132 CO 0.02 0.35 1.35 -0.63 0.21 0.00 0.00 175.17 176.47 2qiy s ILE 133 N -0.73 4.10 -0.11 0.77 1.01 0.06 -0.56 121.20 125.74 2qiy s ILE 133 Ca 0.11 1.34 0.21 0.00 0.00 0.00 0.00 60.65 62.31 2qiy s ILE 133 Cb -0.11 -3.87 -0.24 0.00 0.01 0.00 0.00 42.46 38.25 2qiy s ILE 133 CO 0.02 -0.11 0.54 0.35 0.00 0.00 0.00 174.94 175.74 2qiy n THR 134 N 5.32 0.53 -3.79 2.92 -2.24 -0.20 -0.66 114.28 116.17 2qiy n THR 134 Ca 0.14 -0.60 -0.13 0.00 -2.27 0.00 0.00 64.05 61.19 2qiy n THR 134 Cb 0.44 -0.25 -0.12 0.00 -2.10 0.00 0.00 70.33 68.31 2qiy n THR 134 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2qiy s ASN 135 N -5.02 -0.25 -0.23 3.42 0.01 -1.21 -1.17 114.94 110.49 2qiy s ASN 135 Ca -0.06 0.48 -0.04 0.00 -0.71 0.00 0.00 52.86 52.53 2qiy s ASN 135 Cb 0.11 0.48 0.13 0.00 0.41 0.00 0.00 41.25 42.38 2qiy s ASN 135 CO 0.86 -0.09 0.40 -0.62 -1.51 0.00 0.00 177.10 176.14 2qiy s ASP 136 N 0.21 0.03 -0.09 -1.22 -1.08 -0.73 -1.54 116.67 112.24 2qiy s ASP 136 Ca -0.01 0.45 0.02 0.00 -0.52 0.00 0.00 52.55 52.50 2qiy s ASP 136 Cb -0.02 1.23 0.01 0.00 -1.46 0.00 0.00 42.92 42.68 2qiy s ASP 136 CO -0.00 -0.28 -0.16 -0.63 0.52 0.00 0.00 175.17 174.62 2qiy s ILE 137 N 2.58 1.47 0.02 4.11 1.01 0.11 -0.25 121.20 130.24 2qiy s ILE 137 Ca 0.10 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.13 2qiy s ILE 137 Cb -0.15 -1.33 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 2qiy s ILE 137 CO -0.15 0.43 -0.07 -0.51 0.00 0.00 0.00 174.94 174.64 2qiy s ILE 138 N 0.77 3.60 -0.04 2.92 2.07 -0.48 -0.23 121.20 129.81 2qiy s ILE 138 Ca -0.11 -0.85 -0.00 0.00 -1.41 0.00 0.00 60.65 58.27 2qiy s ILE 138 Cb -0.16 -2.59 0.03 0.00 0.13 0.00 0.00 42.46 39.87 2qiy s ILE 138 CO 0.02 0.35 -0.00 -0.60 -1.91 0.00 0.00 174.94 172.79 2qiy s ARG 139 N -1.55 0.45 0.23 3.50 6.06 -0.02 -4.79 118.95 122.84 2qiy s ARG 139 Ca 0.18 0.07 -0.17 0.00 -2.50 0.00 0.00 55.73 53.31 2qiy s ARG 139 Cb -0.11 -0.68 -0.08 0.00 0.06 0.00 0.00 34.95 34.14 2qiy s ARG 139 CO 0.09 -0.18 0.69 -0.06 -2.50 0.00 0.00 175.30 173.33 2qiy s PHE 140 N 1.34 3.58 -0.19 5.12 0.08 -1.26 -1.00 117.98 125.65 2qiy s PHE 140 Ca -0.05 1.28 -0.01 0.00 0.12 0.00 0.00 56.93 58.27 2qiy s PHE 140 Cb -0.13 -2.55 0.01 0.00 -0.57 0.00 0.00 43.02 39.78 2qiy s PHE 140 CO -0.02 0.30 -0.15 0.42 -0.10 0.00 0.00 175.22 175.67 2qiy s ILE 141 N -1.61 2.56 0.43 0.64 -1.09 -0.05 -4.91 121.20 117.17 2qiy s ILE 141 Ca 0.44 -0.78 -0.12 0.00 -2.23 0.00 0.00 60.65 57.97 2qiy s ILE 141 Cb -0.15 -2.11 -0.07 0.00 -1.58 0.00 0.00 42.46 38.56 2qiy s ILE 141 CO 0.20 0.50 0.82 -0.94 -1.23 0.00 0.00 174.94 174.29 2qiy s SER 142 N 1.23 6.54 0.55 3.58 1.04 -1.26 -4.27 113.70 121.11 2qiy s SER 142 Ca 0.03 1.23 -0.20 0.00 0.48 0.00 0.00 55.95 57.49 2qiy s SER 142 Cb -0.14 -2.37 -0.05 0.00 0.10 0.00 0.00 66.02 63.56 2qiy s SER 142 CO -0.07 -0.45 1.19 0.20 0.98 0.00 0.00 173.24 175.09 2qiy s ASN 143 N -3.14 5.54 0.57 7.02 -0.87 -1.26 -4.90 114.94 117.89 2qiy s ASN 143 Ca 0.53 2.34 0.33 0.00 -1.57 0.00 0.00 52.86 54.49 2qiy s ASN 143 Cb -0.10 -2.60 1.69 0.00 -0.02 0.00 0.00 41.25 40.22 2qiy s ASN 143 CO 0.31 -1.35 2.14 0.28 -2.57 0.00 0.00 177.10 175.91 2qiy h SER 144 N 1.25 0.00 0.00 -1.22 0.02 -2.06 -3.54 113.55 108.00 2qiy h SER 144 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2qiy h SER 144 Cb 1.28 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.82 2qiy h SER 144 CO 0.57 0.06 0.00 0.49 -1.14 0.00 0.00 176.83 176.81