#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qyr s ASN 18 N 0.00 6.39 -0.02 2.61 -0.87 -1.26 -4.25 114.94 117.53 1qyr s ASN 18 Ca 0.00 -1.28 -0.29 0.00 -1.57 0.00 0.00 52.86 49.72 1qyr s ASN 18 Cb 0.00 -2.49 -0.03 0.00 -0.02 0.00 0.00 41.25 38.71 1qyr s ASN 18 CO 0.00 -1.46 0.94 -0.36 -2.57 0.00 0.00 177.10 173.65 1qyr s PHE 19 N 4.39 3.63 -0.01 2.20 0.08 -0.62 -4.79 117.98 122.86 1qyr s PHE 19 Ca 0.35 1.61 -0.30 0.00 0.12 0.00 0.00 56.93 58.71 1qyr s PHE 19 Cb -0.07 -3.08 -0.06 0.00 -0.57 0.00 0.00 43.02 39.25 1qyr s PHE 19 CO -0.00 -0.02 1.53 -1.17 -0.10 0.00 0.00 175.22 175.46 1qyr s LEU 20 N 1.10 4.32 0.00 -0.37 2.96 -1.26 -0.29 118.68 125.14 1qyr s LEU 20 Ca 0.49 2.21 0.00 0.00 -0.22 0.00 0.00 54.13 56.61 1qyr s LEU 20 Cb -0.20 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 42.94 1qyr s LEU 20 CO 0.25 -0.83 0.00 -0.46 -1.32 0.00 0.00 176.35 174.00 1qyr n ASN 21 N 6.06 3.28 -4.66 3.68 0.23 -0.21 -4.74 115.26 118.90 1qyr n ASN 21 Ca 0.15 -0.00 -0.43 0.00 -0.53 0.00 0.00 54.58 53.77 1qyr n ASN 21 Cb 0.43 0.67 -0.02 0.00 -2.08 0.00 0.00 39.78 38.77 1qyr n ASN 21 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1qyr s ASP 22 N -1.32 6.89 0.18 0.53 -1.08 -0.94 -4.93 116.67 115.99 1qyr s ASP 22 Ca 0.00 1.80 -0.14 0.00 -0.52 0.00 0.00 52.55 53.70 1qyr s ASP 22 Cb 0.00 -2.54 0.08 0.00 -1.46 0.00 0.00 42.92 39.00 1qyr s ASP 22 CO 0.00 -0.80 1.84 -0.61 0.52 0.00 0.00 175.17 176.12 1qyr h GLN 23 N 8.48 0.70 -0.69 4.34 5.75 -1.96 -0.34 115.11 131.39 1qyr h GLN 23 Ca -0.29 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.11 1qyr h GLN 23 Cb 1.12 -0.16 -0.03 0.00 1.07 0.00 0.00 27.48 29.48 1qyr h GLN 23 CO 0.97 0.46 0.21 0.74 -2.65 0.00 0.00 178.83 178.56 1qyr h PHE 24 N 0.72 1.12 -0.17 3.99 0.04 -1.99 -0.71 116.94 119.94 1qyr h PHE 24 Ca 0.20 -0.12 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 1qyr h PHE 24 Cb -0.07 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 37.75 1qyr h PHE 24 CO -0.04 0.90 0.08 0.28 -0.60 0.00 0.00 178.31 178.93 1qyr h VAL 25 N 1.02 1.13 -0.51 -0.55 2.07 -1.86 -1.31 116.25 116.24 1qyr h VAL 25 Ca 0.22 -0.38 0.10 0.00 0.82 0.00 0.00 66.70 67.46 1qyr h VAL 25 Cb 0.32 1.07 -0.09 0.00 -1.52 0.00 0.00 31.29 31.06 1qyr h VAL 25 CO -0.01 0.12 -0.10 0.40 0.02 0.00 0.00 177.57 178.01 1qyr h ILE 26 N 0.15 0.51 -0.51 4.57 2.04 -0.75 -1.06 117.51 122.46 1qyr h ILE 26 Ca 0.06 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 65.95 1qyr h ILE 26 Cb 0.12 0.49 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 1qyr h ILE 26 CO -0.01 0.00 0.26 0.44 0.00 0.00 0.00 178.15 178.85 1qyr h ASP 27 N 0.02 0.38 -0.74 1.72 5.19 -0.91 -1.49 116.42 120.60 1qyr h ASP 27 Ca 0.25 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.66 1qyr h ASP 27 Cb 0.38 -0.05 -0.04 0.00 0.18 0.00 0.00 39.33 39.80 1qyr h ASP 27 CO -0.50 0.27 0.40 0.77 -3.12 0.00 0.00 179.24 177.05 1qyr h SER 28 N 0.51 0.94 -0.25 6.45 4.64 -0.05 -0.14 113.55 125.65 1qyr h SER 28 Ca 0.22 -0.08 -0.10 0.00 -0.47 0.00 0.00 61.79 61.36 1qyr h SER 28 Cb 0.12 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1qyr h SER 28 CO -0.15 0.76 -0.25 0.40 -0.87 0.00 0.00 176.83 176.72 1qyr h ILE 29 N 1.05 1.31 -0.41 0.95 2.04 -1.00 -1.55 117.51 119.91 1qyr h ILE 29 Ca 0.26 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.71 1qyr h ILE 29 Cb 0.05 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.76 1qyr h ILE 29 CO -0.04 0.44 0.26 0.58 0.00 0.00 0.00 178.15 179.40 1qyr h VAL 30 N 0.33 1.12 -0.40 1.67 2.07 -0.94 0.60 116.25 120.69 1qyr h VAL 30 Ca 0.04 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.37 1qyr h VAL 30 Cb 0.81 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 1qyr h VAL 30 CO 0.06 0.12 0.15 -1.28 0.02 0.00 0.00 177.57 176.64 1qyr h SER 31 N 0.55 0.17 0.02 0.57 0.87 -1.02 0.41 113.55 115.12 1qyr h SER 31 Ca 0.15 0.04 -0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1qyr h SER 31 Cb -0.04 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1qyr h SER 31 CO -0.03 0.13 -0.01 0.00 -0.53 0.00 0.00 176.83 176.40 1qyr h ALA 32 N 1.25 -0.02 -0.82 6.23 0.00 -0.78 -3.02 119.26 122.10 1qyr h ALA 32 Ca 0.18 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1qyr h ALA 32 Cb 0.16 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1qyr h ALA 32 CO -0.18 -0.50 0.51 0.82 0.00 0.00 0.00 179.25 179.90 1qyr h ILE 33 N -0.05 1.22 -6.02 0.00 2.04 -0.62 -3.47 117.51 110.61 1qyr h ILE 33 Ca -0.00 -0.47 -0.37 0.00 1.00 0.00 0.00 64.86 65.02 1qyr h ILE 33 Cb 0.05 0.06 0.10 0.00 -0.74 0.00 0.00 36.82 36.29 1qyr h ILE 33 CO 0.00 0.23 -0.87 -3.20 0.00 0.00 0.00 178.15 174.31 1qyr n ASN 34 N -4.47 -5.78 -4.76 1.72 5.15 0.11 -4.90 115.26 102.33 1qyr n ASN 34 Ca 0.08 -0.89 -0.41 0.00 -0.60 0.00 0.00 54.58 52.77 1qyr n ASN 34 Cb 0.05 -3.84 -0.02 0.00 -0.53 0.00 0.00 39.78 35.43 1qyr n ASN 34 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1qyr s PRO 35 N -5.39 4.38 0.00 1.20 0.04 -1.26 -5.00 135.00 128.97 1qyr s PRO 35 Ca 0.43 2.16 0.06 0.00 0.04 0.00 0.00 61.00 63.69 1qyr s PRO 35 Cb -0.13 -3.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.29 1qyr s PRO 35 CO 0.83 -0.19 -0.20 -0.65 0.04 0.00 0.00 177.00 176.83 1qyr s GLN 36 N -1.32 1.51 0.35 4.56 -1.52 -1.26 -4.94 119.66 117.03 1qyr s GLN 36 Ca 0.51 -0.78 -0.25 0.00 -1.95 0.00 0.00 55.36 52.89 1qyr s GLN 36 Cb -0.39 -1.51 -0.13 0.00 -0.22 0.00 0.00 33.01 30.76 1qyr s GLN 36 CO 0.48 0.40 0.80 1.17 -0.25 0.00 0.00 175.29 177.90 1qyr n LYS 37 N 2.34 0.95 0.00 2.91 0.00 -1.24 -2.08 118.16 121.04 1qyr n LYS 37 Ca -0.16 0.34 0.00 0.00 0.00 0.00 0.00 58.31 58.49 1qyr n LYS 37 Cb 0.53 -1.68 0.00 0.00 0.00 0.00 0.00 35.03 33.88 1qyr n LYS 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1qyr n GLY 38 N 1.48 3.30 3.80 3.14 0.00 -1.26 -5.03 105.19 110.61 1qyr n GLY 38 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1qyr n GLY 38 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qyr s GLN 39 N -0.60 4.21 -0.50 1.61 -0.21 -0.88 -5.02 119.66 118.28 1qyr s GLN 39 Ca 0.00 1.31 -0.17 0.00 0.02 0.00 0.00 55.36 56.52 1qyr s GLN 39 Cb 0.00 -2.40 0.07 0.00 1.00 0.00 0.00 33.01 31.69 1qyr s GLN 39 CO 0.00 -0.06 0.51 0.00 -2.12 0.00 0.00 175.29 173.62 1qyr s ALA 40 N -1.88 3.49 -0.03 6.09 0.00 -1.26 -4.97 121.76 123.20 1qyr s ALA 40 Ca 0.59 -2.01 -0.02 0.00 0.00 0.00 0.00 51.96 50.52 1qyr s ALA 40 Cb -0.16 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.70 1qyr s ALA 40 CO 0.20 -1.91 0.11 -1.64 0.00 0.00 0.00 175.76 172.52 1qyr s MET 41 N 2.09 3.20 -0.04 0.00 1.00 -1.26 -0.52 119.30 123.77 1qyr s MET 41 Ca 0.09 -0.39 -0.01 0.00 0.00 0.00 0.00 55.69 55.38 1qyr s MET 41 Cb -0.23 -2.96 0.03 0.00 0.00 0.00 0.00 34.83 31.68 1qyr s MET 41 CO 0.08 0.68 0.05 0.54 0.00 0.00 0.00 175.02 176.37 1qyr s VAL 42 N -1.17 -0.04 -0.17 -6.03 0.11 -0.44 -1.93 120.40 110.73 1qyr s VAL 42 Ca 0.22 0.34 -0.10 0.00 -2.93 0.00 0.00 61.98 59.50 1qyr s VAL 42 Cb -0.12 -0.18 -0.05 0.00 -1.53 0.00 0.00 36.38 34.51 1qyr s VAL 42 CO 0.12 0.17 0.18 -0.70 -3.33 0.00 0.00 175.10 171.54 1qyr s GLU 43 N 1.86 4.05 -0.27 1.54 2.12 -0.12 -1.26 118.70 126.62 1qyr s GLU 43 Ca 0.01 -0.12 -0.14 0.00 0.36 0.00 0.00 54.97 55.09 1qyr s GLU 43 Cb -0.12 -3.37 -0.04 0.00 0.26 0.00 0.00 34.13 30.86 1qyr s GLU 43 CO -0.03 0.39 0.33 0.42 -0.54 0.00 0.00 175.26 175.83 1qyr s ILE 44 N 0.08 5.21 -0.45 -3.70 1.01 0.35 -0.52 121.20 123.17 1qyr s ILE 44 Ca 0.12 0.47 -0.02 0.00 0.00 0.00 0.00 60.65 61.21 1qyr s ILE 44 Cb -0.12 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 1qyr s ILE 44 CO 0.01 0.18 0.40 0.61 0.00 0.00 0.00 174.94 176.13 1qyr n GLY 45 N 4.78 0.04 0.34 6.18 0.00 0.50 -3.93 105.19 113.09 1qyr n GLY 45 Ca -0.10 0.05 0.16 0.00 0.00 0.00 0.00 46.02 46.14 1qyr n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qyr h PRO 46 N -0.50 0.00 0.00 1.61 0.13 -1.80 -3.41 132.00 128.03 1qyr h PRO 46 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1qyr h PRO 46 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1qyr h PRO 46 CO 0.19 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.37 1qyr n GLY 47 N -1.57 4.26 1.43 1.56 0.00 -1.26 -0.72 105.19 108.90 1qyr n GLY 47 Ca 0.04 0.11 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 1qyr n GLY 47 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1qyr n LEU 48 N 0.00 4.17 -1.43 0.99 4.77 -1.26 -4.85 117.00 119.39 1qyr n LEU 48 Ca 0.00 -2.14 -0.16 0.00 -0.03 0.00 0.00 56.01 53.68 1qyr n LEU 48 Cb 0.00 -0.63 -0.04 0.00 -2.33 0.00 0.00 43.42 40.41 1qyr n LEU 48 CO 0.00 0.57 -0.17 0.00 -1.33 0.00 0.00 177.39 176.46 1qyr n ALA 49 N 0.14 -0.33 -0.16 -1.18 0.00 0.10 -4.93 120.51 114.16 1qyr n ALA 49 Ca 0.21 0.20 -0.02 0.00 0.00 0.00 0.00 53.44 53.84 1qyr n ALA 49 Cb 0.91 -1.71 0.06 0.00 0.00 0.00 0.00 19.45 18.72 1qyr n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qyr h ALA 50 N 0.30 0.53 0.00 0.00 0.00 -1.86 -2.00 119.26 116.23 1qyr h ALA 50 Ca -0.34 0.12 -0.27 0.00 0.00 0.00 0.00 54.91 54.42 1qyr h ALA 50 Cb 1.12 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 19.05 1qyr h ALA 50 CO 0.46 -0.34 -1.74 1.28 0.00 0.00 0.00 179.25 178.90 1qyr n LEU 51 N -5.16 0.72 -0.15 0.00 4.77 -1.26 -4.50 117.00 111.43 1qyr n LEU 51 Ca 0.06 0.34 -0.08 0.00 -0.03 0.00 0.00 56.01 56.30 1qyr n LEU 51 Cb 0.26 0.19 0.01 0.00 -2.33 0.00 0.00 43.42 41.55 1qyr n LEU 51 CO 0.18 0.34 1.06 0.74 -1.33 0.00 0.00 177.39 178.37 1qyr h THR 52 N 0.00 1.12 0.54 -5.08 2.02 -1.79 -1.31 112.91 108.42 1qyr h THR 52 Ca -0.29 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.64 1qyr h THR 52 Cb 1.92 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 68.79 1qyr h THR 52 CO 0.06 0.12 -0.40 -0.33 0.37 0.00 0.00 175.52 175.34 1qyr h GLU 53 N 0.61 -0.87 -0.44 6.66 5.08 -1.60 0.31 114.58 124.33 1qyr h GLU 53 Ca 0.16 0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.52 1qyr h GLU 53 Cb -0.06 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 1qyr h GLU 53 CO -0.03 -0.58 0.00 -1.00 -1.00 0.00 0.00 179.01 176.40 1qyr h PRO 54 N -0.90 0.72 -0.16 2.33 0.13 -1.77 -1.22 132.00 131.12 1qyr h PRO 54 Ca -0.07 -0.18 -0.02 0.00 -0.87 0.00 0.00 66.00 64.85 1qyr h PRO 54 Cb 0.75 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 1qyr h PRO 54 CO 0.03 0.73 0.01 0.28 -0.23 0.00 0.00 178.00 178.82 1qyr h VAL 55 N 0.67 1.24 -0.18 1.56 2.07 -1.22 -3.20 116.25 117.19 1qyr h VAL 55 Ca 0.14 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 1qyr h VAL 55 Cb 0.41 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1qyr h VAL 55 CO 0.02 0.24 -0.01 1.23 0.02 0.00 0.00 177.57 179.06 1qyr h GLY 56 N 0.05 0.28 1.97 2.17 0.00 -0.06 -1.15 103.07 106.32 1qyr h GLY 56 Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1qyr h GLY 56 CO 0.01 0.13 0.02 -2.09 0.00 0.00 0.00 176.54 174.61 1qyr h GLU 57 N 0.26 0.00 -0.01 4.80 4.81 -1.22 -1.78 114.58 121.45 1qyr h GLU 57 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1qyr h GLU 57 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1qyr h GLU 57 CO 0.01 0.00 -0.62 0.54 -0.73 0.00 0.00 179.01 178.20 1qyr n ARG 58 N -3.15 0.46 -4.43 1.92 1.74 -0.44 -4.97 116.66 107.80 1qyr n ARG 58 Ca -0.03 -0.35 -0.25 0.00 -0.77 0.00 0.00 57.85 56.46 1qyr n ARG 58 Cb 0.09 -1.49 -0.09 0.00 -1.02 0.00 0.00 32.46 29.94 1qyr n ARG 58 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1qyr s LEU 59 N -2.78 2.84 -0.04 0.55 1.43 -0.67 -3.67 118.68 116.35 1qyr s LEU 59 Ca 0.14 -1.04 0.14 0.00 -1.03 0.00 0.00 54.13 52.34 1qyr s LEU 59 Cb 0.17 -1.21 -0.21 0.00 0.03 0.00 0.00 46.19 44.97 1qyr s LEU 59 CO 0.69 -0.15 0.63 0.47 0.23 0.00 0.00 176.35 178.22 1qyr n ASP 60 N -0.83 0.76 -3.89 2.29 10.43 -1.26 -4.95 116.55 119.11 1qyr n ASP 60 Ca -0.05 0.36 -0.09 0.00 2.57 0.00 0.00 54.79 57.57 1qyr n ASP 60 Cb 0.62 0.13 -0.08 0.00 1.84 0.00 0.00 41.12 43.63 1qyr n ASP 60 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 1qyr s GLN 61 N -2.67 0.70 -0.28 -1.24 1.11 -1.26 -4.61 119.66 111.41 1qyr s GLN 61 Ca -0.05 -0.79 -0.23 0.00 0.01 0.00 0.00 55.36 54.30 1qyr s GLN 61 Cb 0.08 0.28 0.09 0.00 -1.01 0.00 0.00 33.01 32.45 1qyr s GLN 61 CO 0.82 -0.20 0.80 -1.17 0.01 0.00 0.00 175.29 175.56 1qyr s LEU 62 N -2.36 -0.70 -0.04 2.90 2.96 -0.63 -4.76 118.68 116.05 1qyr s LEU 62 Ca -0.02 1.29 0.00 0.00 -0.22 0.00 0.00 54.13 55.19 1qyr s LEU 62 Cb 0.01 2.28 -0.03 0.00 0.50 0.00 0.00 46.19 48.95 1qyr s LEU 62 CO -0.06 -0.22 -0.00 -0.89 -1.32 0.00 0.00 176.35 173.85 1qyr s THR 63 N 0.59 4.18 0.06 3.68 2.01 -0.81 -1.69 115.64 123.66 1qyr s THR 63 Ca -0.01 -0.45 0.04 0.00 0.31 0.00 0.00 61.69 61.57 1qyr s THR 63 Cb -0.05 -2.81 -0.03 0.00 0.01 0.00 0.00 72.50 69.63 1qyr s THR 63 CO -0.05 0.49 -0.11 0.68 -0.69 0.00 0.00 174.62 174.94 1qyr s VAL 64 N -0.98 0.81 -0.23 3.82 -7.23 0.22 -0.95 120.40 115.86 1qyr s VAL 64 Ca 0.16 -1.23 0.02 0.00 -1.81 0.00 0.00 61.98 59.12 1qyr s VAL 64 Cb -0.11 -0.87 0.05 0.00 0.56 0.00 0.00 36.38 36.00 1qyr s VAL 64 CO 0.06 -0.34 -0.12 -0.63 -0.31 0.00 0.00 175.10 173.76 1qyr s ILE 65 N -1.46 1.98 -0.06 -0.62 1.01 0.32 -0.55 121.20 121.81 1qyr s ILE 65 Ca -0.05 -1.33 -0.01 0.00 0.00 0.00 0.00 60.65 59.26 1qyr s ILE 65 Cb -0.09 -2.03 0.03 0.00 0.01 0.00 0.00 42.46 40.37 1qyr s ILE 65 CO 0.01 0.12 -0.00 -0.70 0.00 0.00 0.00 174.94 174.37 1qyr s GLU 66 N 1.23 0.55 0.05 2.79 2.56 -0.39 -0.37 118.70 125.12 1qyr s GLU 66 Ca -0.04 0.10 0.09 0.00 0.00 0.00 0.00 54.97 55.11 1qyr s GLU 66 Cb -0.18 -0.86 -0.22 0.00 2.00 0.00 0.00 34.13 34.87 1qyr s GLU 66 CO -0.07 -0.25 1.01 -0.07 -0.56 0.00 0.00 175.26 175.32 1qyr h LEU 67 N 8.05 0.02 -8.82 2.70 3.38 -1.83 -3.29 115.31 115.52 1qyr h LEU 67 Ca -0.24 -0.03 -0.57 0.00 0.09 0.00 0.00 57.88 57.14 1qyr h LEU 67 Cb 1.13 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.81 1qyr h LEU 67 CO 0.31 1.02 0.93 -0.62 0.09 0.00 0.00 178.44 180.17 1qyr s ASP 68 N -6.47 6.67 0.28 -0.43 -1.08 -1.26 -4.90 116.67 109.48 1qyr s ASP 68 Ca -0.02 0.76 0.00 0.00 -0.52 0.00 0.00 52.55 52.77 1qyr s ASP 68 Cb 0.09 -2.55 0.39 0.00 -1.46 0.00 0.00 42.92 39.40 1qyr s ASP 68 CO 0.82 -1.16 1.76 0.03 0.52 0.00 0.00 175.17 177.15 1qyr h ARG 69 N 9.14 0.67 0.02 4.34 3.08 -1.99 -1.42 114.38 128.22 1qyr h ARG 69 Ca -0.23 -0.19 0.02 0.00 0.07 0.00 0.00 59.98 59.65 1qyr h ARG 69 Cb 1.07 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.02 1qyr h ARG 69 CO 1.09 0.74 -0.17 -0.44 -1.07 0.00 0.00 179.97 180.12 1qyr h ASP 70 N 0.62 -0.48 0.59 7.04 3.32 -1.99 -2.33 116.42 123.19 1qyr h ASP 70 Ca 0.12 0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.14 1qyr h ASP 70 Cb 0.49 0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 1qyr h ASP 70 CO 0.03 -0.23 -0.47 -0.07 -1.72 0.00 0.00 179.24 176.78 1qyr h LEU 71 N -0.28 0.00 -0.85 1.55 3.38 -1.85 -3.06 115.31 114.19 1qyr h LEU 71 Ca 0.05 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1qyr h LEU 71 Cb 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1qyr h LEU 71 CO -0.14 0.47 -0.17 0.00 0.09 0.00 0.00 178.44 178.69 1qyr h ALA 72 N 1.53 1.03 -0.15 1.53 0.00 -1.09 -2.59 119.26 119.52 1qyr h ALA 72 Ca -0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 1qyr h ALA 72 Cb 0.89 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1qyr h ALA 72 CO 0.06 0.58 -0.38 0.00 0.00 0.00 0.00 179.25 179.52 1qyr h ALA 73 N 1.21 1.07 -0.07 0.00 0.00 -1.32 -2.76 119.26 117.39 1qyr h ALA 73 Ca 0.10 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 1qyr h ALA 73 Cb 0.62 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1qyr h ALA 73 CO 0.04 0.59 -0.51 0.00 0.00 0.00 0.00 179.25 179.37 1qyr h ARG 74 N 0.28 0.17 -0.34 0.00 3.08 -1.42 -3.09 114.38 113.07 1qyr h ARG 74 Ca 0.03 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 59.96 1qyr h ARG 74 Cb 0.80 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 1qyr h ARG 74 CO 0.06 0.64 0.11 -0.07 -1.07 0.00 0.00 179.97 179.65 1qyr h LEU 75 N 0.14 0.49 -1.59 3.04 3.38 -1.21 -3.10 115.31 116.46 1qyr h LEU 75 Ca 0.00 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.80 1qyr h LEU 75 Cb 0.95 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1qyr h LEU 75 CO 0.08 0.55 0.30 -0.61 0.09 0.00 0.00 178.44 178.85 1qyr h GLN 76 N 0.39 0.53 -0.22 1.13 4.15 -1.42 -1.72 115.11 117.94 1qyr h GLN 76 Ca 0.11 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.50 1qyr h GLN 76 Cb 0.23 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.80 1qyr h GLN 76 CO -0.00 0.35 0.00 0.25 -1.93 0.00 0.00 178.83 177.50 1qyr n THR 77 N -4.47 0.29 -2.07 2.39 -2.24 -1.18 -4.44 114.28 102.55 1qyr n THR 77 Ca 0.04 -0.42 -0.42 0.00 -2.27 0.00 0.00 64.05 60.98 1qyr n THR 77 Cb 0.11 0.45 -0.03 0.00 -2.10 0.00 0.00 70.33 68.76 1qyr n THR 77 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1qyr s HIS 78 N -1.71 2.31 0.57 4.78 5.65 -0.65 -4.89 115.29 121.34 1qyr s HIS 78 Ca 0.32 0.41 0.26 0.00 0.25 0.00 0.00 55.06 56.31 1qyr s HIS 78 Cb 0.18 -3.84 1.55 0.00 -1.18 0.00 0.00 32.58 29.29 1qyr s HIS 78 CO 0.26 -3.38 2.08 -1.00 -0.65 0.00 0.00 174.74 172.05 1qyr h PRO 79 N 8.86 0.00 0.00 2.88 0.13 -1.89 0.18 132.00 142.17 1qyr h PRO 79 Ca -0.38 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.53 1qyr h PRO 79 Cb 1.18 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 1qyr h PRO 79 CO 0.94 0.00 -1.80 1.19 -0.23 0.00 0.00 178.00 178.10 1qyr n PHE 80 N -4.01 0.00 -0.00 1.56 0.99 -1.26 -4.64 117.46 110.09 1qyr n PHE 80 Ca 0.03 0.00 -0.17 0.00 -0.00 0.00 0.00 57.45 57.31 1qyr n PHE 80 Cb 0.37 -0.55 -0.11 0.00 -1.00 0.00 0.00 39.48 38.20 1qyr n PHE 80 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 1qyr h LEU 81 N 0.00 0.51 -0.51 4.37 5.85 -1.88 -3.37 115.31 120.28 1qyr h LEU 81 Ca -0.31 -0.74 0.05 0.00 0.84 0.00 0.00 57.88 57.71 1qyr h LEU 81 Cb 1.53 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 42.34 1qyr h LEU 81 CO -0.04 1.18 -0.40 1.23 -0.34 0.00 0.00 178.44 180.08 1qyr h GLY 82 N -0.11 -1.38 1.06 3.75 0.00 -0.72 0.13 103.07 105.80 1qyr h GLY 82 Ca -0.06 0.85 0.07 0.00 0.00 0.00 0.00 47.33 48.18 1qyr h GLY 82 CO 0.11 -0.30 0.41 -2.55 0.00 0.00 0.00 176.54 174.20 1qyr h PRO 83 N -0.12 0.00 0.00 4.80 0.11 -1.77 -1.70 132.00 133.32 1qyr h PRO 83 Ca 0.08 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1qyr h PRO 83 Cb 0.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.45 1qyr h PRO 83 CO -0.55 0.00 -0.84 1.63 -0.21 0.00 0.00 178.00 178.04 1qyr n LYS 84 N -3.34 0.21 -3.77 1.05 5.02 0.40 -4.99 118.16 112.74 1qyr n LYS 84 Ca 0.03 0.01 -0.37 0.00 -2.02 0.00 0.00 58.31 55.97 1qyr n LYS 84 Cb 0.52 -1.59 -0.07 0.00 -0.02 0.00 0.00 35.03 33.88 1qyr n LYS 84 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1qyr s LEU 85 N -3.74 4.35 -0.22 -0.35 1.43 -0.64 -1.60 118.68 117.91 1qyr s LEU 85 Ca 0.06 0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 53.59 1qyr s LEU 85 Cb 0.15 -2.16 -0.02 0.00 0.03 0.00 0.00 46.19 44.19 1qyr s LEU 85 CO 0.77 0.32 -0.01 -0.89 0.23 0.00 0.00 176.35 176.78 1qyr s THR 86 N -0.61 3.73 -0.24 5.49 2.01 -0.68 -4.98 115.64 120.35 1qyr s THR 86 Ca 0.15 -0.38 -0.05 0.00 0.31 0.00 0.00 61.69 61.73 1qyr s THR 86 Cb -0.12 -2.71 -0.00 0.00 0.01 0.00 0.00 72.50 69.68 1qyr s THR 86 CO 0.04 0.41 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.74 1qyr s ILE 87 N 1.38 3.55 -0.37 1.82 1.01 -1.26 -0.61 121.20 126.71 1qyr s ILE 87 Ca 0.05 -0.55 -0.14 0.00 0.00 0.00 0.00 60.65 60.00 1qyr s ILE 87 Cb -0.15 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 39.64 1qyr s ILE 87 CO -0.00 0.32 0.29 -0.31 0.00 0.00 0.00 174.94 175.24 1qyr s TYR 88 N 1.48 3.23 -1.28 3.97 2.02 0.28 -4.99 117.35 122.06 1qyr s TYR 88 Ca 0.05 -0.35 -0.09 0.00 -0.37 0.00 0.00 57.07 56.31 1qyr s TYR 88 Cb -0.15 -2.58 0.16 0.00 -0.40 0.00 0.00 41.96 39.00 1qyr s TYR 88 CO -0.01 -0.49 1.92 1.04 -1.57 0.00 0.00 175.55 176.44 1qyr n GLN 89 N 5.20 3.70 -4.07 -0.62 6.02 -1.26 -1.26 117.38 125.10 1qyr n GLN 89 Ca -0.11 -3.52 -0.11 0.00 -0.01 0.00 0.00 57.00 53.25 1qyr n GLN 89 Cb 0.48 -2.90 -0.06 0.00 1.02 0.00 0.00 30.24 28.78 1qyr n GLN 89 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.06 177.19 1qyr s GLN 90 N 0.25 1.56 0.10 -1.09 -2.07 -1.24 -4.90 119.66 112.27 1qyr s GLN 90 Ca 0.40 -1.46 -0.30 0.00 -1.82 0.00 0.00 55.36 52.18 1qyr s GLN 90 Cb 0.10 0.42 -0.06 0.00 -1.09 0.00 0.00 33.01 32.38 1qyr s GLN 90 CO -0.00 -0.62 1.15 0.34 -1.32 0.00 0.00 175.29 174.84 1qyr s ASP 91 N -3.10 7.16 0.40 12.60 2.15 -1.26 -4.30 116.67 130.32 1qyr s ASP 91 Ca 0.28 2.02 0.20 0.00 0.43 0.00 0.00 52.55 55.49 1qyr s ASP 91 Cb 0.01 -2.59 0.77 0.00 -0.30 0.00 0.00 42.92 40.82 1qyr s ASP 91 CO 0.12 -0.37 1.77 0.00 -0.17 0.00 0.00 175.17 176.53 1qyr h ALA 92 N 6.15 1.02 -0.97 3.66 0.00 -1.96 -3.16 119.26 124.00 1qyr h ALA 92 Ca -0.43 -0.29 0.17 0.00 0.00 0.00 0.00 54.91 54.36 1qyr h ALA 92 Cb 1.21 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.86 1qyr h ALA 92 CO 0.77 0.40 0.61 1.98 0.00 0.00 0.00 179.25 183.01 1qyr h MET 93 N 0.00 0.72 0.00 0.00 -1.53 -1.97 -2.16 114.93 109.99 1qyr h MET 93 Ca -0.00 -0.04 -0.00 0.00 -3.44 0.00 0.00 59.70 56.21 1qyr h MET 93 Cb 0.83 -0.16 -0.00 0.00 -0.55 0.00 0.00 31.60 31.72 1qyr h MET 93 CO 0.04 0.48 -0.22 0.25 0.14 0.00 0.00 176.91 177.59 1qyr n THR 94 N -4.65 2.01 -2.57 -0.77 -2.24 -1.23 -4.95 114.28 99.88 1qyr n THR 94 Ca 0.21 -2.68 -0.42 0.00 -2.27 0.00 0.00 64.05 58.90 1qyr n THR 94 Cb 0.53 -0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 68.50 1qyr n THR 94 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1qyr s PHE 95 N -3.01 3.59 -1.20 4.78 5.36 -0.81 -4.96 117.98 121.73 1qyr s PHE 95 Ca 0.34 1.56 -0.20 0.00 -0.96 0.00 0.00 56.93 57.68 1qyr s PHE 95 Cb 0.32 -3.25 0.06 0.00 -0.34 0.00 0.00 43.02 39.81 1qyr s PHE 95 CO -0.01 -0.55 1.64 1.21 -1.46 0.00 0.00 175.22 176.05 1qyr s ASN 96 N 0.56 6.70 0.53 6.13 3.84 -1.26 -4.80 114.94 126.64 1qyr s ASN 96 Ca 0.53 -2.09 0.21 0.00 0.21 0.00 0.00 52.86 51.72 1qyr s ASN 96 Cb -0.26 -2.58 1.44 0.00 -0.55 0.00 0.00 41.25 39.30 1qyr s ASN 96 CO 0.31 -1.31 2.16 -0.26 -2.79 0.00 0.00 177.10 175.20 1qyr h PHE 97 N 8.37 0.00 -0.34 0.43 -1.00 -1.95 -2.44 116.94 120.01 1qyr h PHE 97 Ca 0.36 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 60.99 1qyr h PHE 97 Cb 0.92 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.47 1qyr h PHE 97 CO 1.38 0.04 -0.37 0.78 -1.61 0.00 0.00 178.31 178.53 1qyr h GLY 98 N 0.16 0.92 1.31 -1.45 0.00 -1.93 -0.90 103.07 101.17 1qyr h GLY 98 Ca -0.00 -0.96 -0.09 0.00 0.00 0.00 0.00 47.33 46.28 1qyr h GLY 98 CO 0.01 0.87 -0.05 -2.09 0.00 0.00 0.00 176.54 175.27 1qyr h GLU 99 N 0.63 0.83 -0.35 4.80 4.57 -1.92 -2.72 114.58 120.43 1qyr h GLU 99 Ca 0.05 -0.25 -0.10 0.00 -1.18 0.00 0.00 59.36 57.87 1qyr h GLU 99 Cb 0.96 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.45 1qyr h GLU 99 CO 0.09 0.87 -0.20 1.25 -1.18 0.00 0.00 179.01 179.83 1qyr h LEU 100 N 0.76 0.67 -0.87 1.64 5.85 -1.13 -1.89 115.31 120.35 1qyr h LEU 100 Ca 0.14 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 1qyr h LEU 100 Cb 0.53 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1qyr h LEU 100 CO 0.03 0.87 0.34 0.00 -0.34 0.00 0.00 178.44 179.34 1qyr h ALA 101 N 1.19 1.10 -0.50 1.25 0.00 -1.06 0.78 119.26 122.02 1qyr h ALA 101 Ca 0.09 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1qyr h ALA 101 Cb 0.67 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1qyr h ALA 101 CO 0.05 0.65 0.30 0.93 0.00 0.00 0.00 179.25 181.18 1qyr h GLU 102 N 1.15 0.68 -0.51 0.00 4.39 -1.16 0.25 114.58 119.38 1qyr h GLU 102 Ca 0.27 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.81 1qyr h GLU 102 Cb 0.17 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 1qyr h GLU 102 CO -0.03 0.50 -0.06 0.87 -1.16 0.00 0.00 179.01 179.13 1qyr h LYS 103 N 0.67 0.94 0.00 2.33 1.57 -0.94 -2.67 116.57 118.46 1qyr h LYS 103 Ca 0.18 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1qyr h LYS 103 Cb -0.01 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1qyr h LYS 103 CO -0.03 0.99 0.00 0.52 -0.57 0.00 0.00 179.45 180.35 1qyr h MET 104 N 0.80 0.00 -0.52 3.15 2.86 -0.76 -3.47 114.93 116.99 1qyr h MET 104 Ca 0.14 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.57 1qyr h MET 104 Cb 0.60 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.18 1qyr h MET 104 CO 0.04 0.00 -0.19 0.41 1.06 0.00 0.00 176.91 178.23 1qyr n GLY 105 N 0.48 1.12 3.50 8.32 0.00 0.03 -5.00 105.19 113.64 1qyr n GLY 105 Ca 0.03 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.38 1qyr n GLY 105 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1qyr s GLN 106 N -2.92 0.89 0.48 1.61 -2.07 -0.93 -5.01 119.66 111.70 1qyr s GLN 106 Ca 0.00 -0.17 -0.23 0.00 -1.82 0.00 0.00 55.36 53.14 1qyr s GLN 106 Cb 0.00 0.41 -0.08 0.00 -1.09 0.00 0.00 33.01 32.25 1qyr s GLN 106 CO 0.00 -0.36 1.20 -0.35 -1.32 0.00 0.00 175.29 174.46 1qyr n PRO 107 N 0.08 1.62 -3.39 9.60 -0.04 -1.26 -4.66 135.00 136.96 1qyr n PRO 107 Ca -0.12 0.59 -0.38 0.00 -0.04 0.00 0.00 63.50 63.54 1qyr n PRO 107 Cb 0.61 -2.34 -0.06 0.00 -0.04 0.00 0.00 33.50 31.67 1qyr n PRO 107 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1qyr s LEU 108 N -1.95 4.48 -0.50 1.53 1.43 0.78 -4.42 118.68 120.03 1qyr s LEU 108 Ca 0.66 1.07 -0.19 0.00 -1.03 0.00 0.00 54.13 54.64 1qyr s LEU 108 Cb -0.48 -2.72 0.06 0.00 0.03 0.00 0.00 46.19 43.08 1qyr s LEU 108 CO 0.54 0.27 0.63 -0.13 0.23 0.00 0.00 176.35 177.89 1qyr s ARG 109 N -0.91 3.13 -0.04 1.70 0.52 0.32 -0.07 118.95 123.60 1qyr s ARG 109 Ca 0.26 -0.87 -0.13 0.00 -0.52 0.00 0.00 55.73 54.47 1qyr s ARG 109 Cb -0.18 -4.09 -0.05 0.00 0.52 0.00 0.00 34.95 31.15 1qyr s ARG 109 CO 0.15 -1.22 0.35 0.08 0.02 0.00 0.00 175.30 174.68 1qyr s VAL 110 N 2.65 5.15 0.13 3.52 1.01 0.72 -1.32 120.40 132.25 1qyr s VAL 110 Ca 0.15 0.69 -0.09 0.00 0.00 0.00 0.00 61.98 62.73 1qyr s VAL 110 Cb -0.19 -3.64 -0.00 0.00 0.00 0.00 0.00 36.38 32.54 1qyr s VAL 110 CO 0.12 0.57 0.26 0.72 0.00 0.00 0.00 175.10 176.77 1qyr s PHE 111 N -0.94 0.25 0.00 5.22 -0.12 -0.39 -0.22 117.98 121.78 1qyr s PHE 111 Ca 0.22 -0.64 0.00 0.00 -0.05 0.00 0.00 56.93 56.46 1qyr s PHE 111 Cb -0.15 -0.03 0.00 0.00 -0.63 0.00 0.00 43.02 42.21 1qyr s PHE 111 CO 0.11 -0.66 0.00 0.41 -0.05 0.00 0.00 175.22 175.03 1qyr n GLY 112 N -0.16 3.03 3.46 1.99 0.00 -0.22 -0.49 105.19 112.80 1qyr n GLY 112 Ca -0.11 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.65 1qyr n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qyr s ASN 113 N 0.00 6.51 0.15 1.61 2.47 -1.25 -1.20 114.94 123.22 1qyr s ASN 113 Ca 0.00 -1.73 -0.30 0.00 0.42 0.00 0.00 52.86 51.25 1qyr s ASN 113 Cb 0.00 -2.42 -0.07 0.00 -1.45 0.00 0.00 41.25 37.31 1qyr s ASN 113 CO 0.00 -1.20 0.94 -0.76 -3.72 0.00 0.00 177.10 172.36 1qyr s LEU 114 N 3.28 4.54 0.24 3.21 1.43 -1.13 -4.87 118.68 125.38 1qyr s LEU 114 Ca 0.32 1.82 -0.30 0.00 -1.03 0.00 0.00 54.13 54.94 1qyr s LEU 114 Cb -0.07 -3.57 -0.10 0.00 0.03 0.00 0.00 46.19 42.48 1qyr s LEU 114 CO -0.05 0.01 1.47 -2.84 0.23 0.00 0.00 176.35 175.17 1qyr s PRO 115 N -0.38 4.25 0.59 1.29 0.02 -1.26 -4.77 135.00 134.74 1qyr s PRO 115 Ca 0.44 2.34 0.29 0.00 0.02 0.00 0.00 61.00 64.09 1qyr s PRO 115 Cb -0.24 -3.11 1.37 0.00 0.02 0.00 0.00 34.50 32.55 1qyr s PRO 115 CO 0.30 -0.47 1.76 0.10 -0.33 0.00 0.00 177.00 178.37 1qyr h TYR 116 N 5.23 0.00 -0.27 6.54 -0.00 -1.95 -2.42 116.97 124.10 1qyr h TYR 116 Ca -0.46 0.00 -0.13 0.00 -0.00 0.00 0.00 58.73 58.14 1qyr h TYR 116 Cb 1.22 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.94 1qyr h TYR 116 CO 0.61 0.00 -0.37 -0.97 -0.00 0.00 0.00 178.16 177.43 1qyr h ASN 117 N 0.00 0.65 -0.01 0.10 -1.24 -2.03 -3.28 115.58 109.78 1qyr h ASN 117 Ca 0.30 -0.28 0.00 0.00 0.71 0.00 0.00 56.30 57.03 1qyr h ASN 117 Cb 1.64 -0.18 0.00 0.00 0.73 0.00 0.00 38.32 40.50 1qyr h ASN 117 CO -0.00 0.96 -0.07 2.30 -1.29 0.00 0.00 177.43 179.33 1qyr n ILE 118 N -4.05 0.00 -0.19 2.57 -6.64 -0.93 -4.78 119.36 105.34 1qyr n ILE 118 Ca -0.01 -0.47 -0.06 0.00 -1.77 0.00 0.00 62.75 60.43 1qyr n ILE 118 Cb 0.50 1.12 0.03 0.00 -1.44 0.00 0.00 39.64 39.85 1qyr n ILE 118 CO 0.00 0.00 0.00 0.77 -1.77 0.00 0.00 176.55 175.55 1qyr h SER 119 N 1.09 0.65 -0.05 7.28 4.64 -1.58 -0.13 113.55 125.45 1qyr h SER 119 Ca 0.00 -0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.25 1qyr h SER 119 Cb 0.26 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1qyr h SER 119 CO 0.00 0.47 -0.15 0.74 -0.87 0.00 0.00 176.83 177.02 1qyr h THR 120 N 0.76 1.44 -0.66 2.95 2.02 -1.86 -1.77 112.91 115.78 1qyr h THR 120 Ca 0.21 -1.53 -0.00 0.00 0.77 0.00 0.00 66.41 65.85 1qyr h THR 120 Cb -0.08 2.31 -0.03 0.00 -1.74 0.00 0.00 68.15 68.60 1qyr h THR 120 CO -0.04 0.42 0.40 -0.65 0.37 0.00 0.00 175.52 176.02 1qyr h PRO 121 N -0.32 0.89 -0.50 6.66 0.11 -1.88 -2.38 132.00 134.58 1qyr h PRO 121 Ca -0.00 -0.07 -0.08 0.00 0.11 0.00 0.00 66.00 65.95 1qyr h PRO 121 Cb 0.77 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.67 1qyr h PRO 121 CO 0.03 0.62 -0.02 1.25 -0.21 0.00 0.00 178.00 179.68 1qyr h LEU 122 N 0.91 0.88 -0.68 2.35 5.85 -0.97 0.17 115.31 123.81 1qyr h LEU 122 Ca 0.24 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1qyr h LEU 122 Cb -0.04 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 1qyr h LEU 122 CO -0.05 0.98 0.44 0.24 -0.34 0.00 0.00 178.44 179.72 1qyr h MET 123 N 0.75 0.87 -0.45 1.25 2.86 -1.03 0.13 114.93 119.31 1qyr h MET 123 Ca 0.14 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.61 1qyr h MET 123 Cb 0.54 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 1qyr h MET 123 CO 0.03 0.58 -0.17 0.74 1.06 0.00 0.00 176.91 179.15 1qyr h PHE 124 N 0.90 0.97 -0.42 -0.22 0.04 -1.20 0.13 116.94 117.14 1qyr h PHE 124 Ca 0.26 -0.21 0.05 0.00 2.80 0.00 0.00 57.97 60.87 1qyr h PHE 124 Cb -0.06 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 37.80 1qyr h PHE 124 CO -0.03 0.96 0.17 1.25 -0.60 0.00 0.00 178.31 180.06 1qyr h HIS 125 N 0.77 0.31 -0.54 -0.55 2.76 -0.35 -2.05 115.15 115.49 1qyr h HIS 125 Ca 0.11 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.23 1qyr h HIS 125 Cb 0.69 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.56 1qyr h HIS 125 CO 0.04 0.13 0.04 -0.07 -1.30 0.00 0.00 177.93 176.77 1qyr h LEU 126 N 0.35 0.90 -0.85 0.26 3.38 -0.37 -3.12 115.31 115.87 1qyr h LEU 126 Ca 0.19 -0.29 0.09 0.00 0.09 0.00 0.00 57.88 57.97 1qyr h LEU 126 Cb 0.16 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.59 1qyr h LEU 126 CO -0.18 0.96 0.50 -0.26 0.09 0.00 0.00 178.44 179.56 1qyr h PHE 127 N 0.81 0.90 -0.10 1.13 0.05 -0.41 -2.09 116.94 117.23 1qyr h PHE 127 Ca 0.16 0.03 0.03 0.00 3.82 0.00 0.00 57.97 62.01 1qyr h PHE 127 Cb 0.48 -0.28 -0.00 0.00 2.00 0.00 0.00 35.95 38.15 1qyr h PHE 127 CO 0.04 0.38 0.18 0.66 -0.18 0.00 0.00 178.31 179.39 1qyr h SER 128 N 0.84 0.00 -0.10 2.17 4.64 -1.31 -0.25 113.55 119.55 1qyr h SER 128 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1qyr h SER 128 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1qyr h SER 128 CO -0.24 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.50 1qyr n TYR 129 N -3.43 0.12 0.00 4.77 4.02 -0.79 -4.96 117.16 116.89 1qyr n TYR 129 Ca -0.00 -0.06 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 1qyr n TYR 129 Cb 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.59 1qyr n TYR 129 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1qyr n THR 130 N 0.09 0.00 -0.35 -0.72 -2.24 -0.11 -0.77 114.28 110.17 1qyr n THR 130 Ca 0.17 0.00 0.27 0.00 -2.27 0.00 0.00 64.05 62.22 1qyr n THR 130 Cb 0.30 0.00 0.52 0.00 -2.10 0.00 0.00 70.33 69.05 1qyr n THR 130 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1qyr h ASP 131 N 0.00 0.44 0.64 3.42 5.19 -1.93 -2.68 116.42 121.50 1qyr h ASP 131 Ca 0.00 0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.58 1qyr h ASP 131 Cb 0.00 0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.64 1qyr h ASP 131 CO 0.00 -0.14 0.00 0.00 -3.12 0.00 0.00 179.24 175.98 1qyr h ALA 132 N 1.78 1.00 -3.03 3.45 0.00 -1.35 -3.42 119.26 117.69 1qyr h ALA 132 Ca 0.74 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 55.01 1qyr h ALA 132 Cb 1.88 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 19.43 1qyr h ALA 132 CO -0.54 0.00 -0.66 0.42 0.00 0.00 0.00 179.25 178.47 1qyr s ILE 133 N -3.75 4.00 -0.07 0.00 -1.09 -1.01 -0.16 121.20 119.12 1qyr s ILE 133 Ca -0.00 -0.29 -0.25 0.00 -2.23 0.00 0.00 60.65 57.89 1qyr s ILE 133 Cb 0.10 -2.84 -0.20 0.00 -1.58 0.00 0.00 42.46 37.94 1qyr s ILE 133 CO 0.46 0.39 0.94 0.00 -1.23 0.00 0.00 174.94 175.51 1qyr h ALA 134 N 7.88 -0.07 -2.84 9.38 0.00 -0.70 -3.42 119.26 129.51 1qyr h ALA 134 Ca -0.38 -0.31 0.10 0.00 0.00 0.00 0.00 54.91 54.31 1qyr h ALA 134 Cb 1.17 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 1qyr h ALA 134 CO 0.60 -0.18 0.29 0.16 0.00 0.00 0.00 179.25 180.12 1qyr s ASP 135 N -5.79 -0.24 -0.02 0.00 -4.77 -1.14 -4.19 116.67 100.52 1qyr s ASP 135 Ca -0.15 -0.57 0.02 0.00 -3.30 0.00 0.00 52.55 48.55 1qyr s ASP 135 Cb -0.00 0.67 0.01 0.00 -1.09 0.00 0.00 42.92 42.50 1qyr s ASP 135 CO 0.60 -1.24 -0.05 -0.04 0.70 0.00 0.00 175.17 175.13 1qyr s MET 136 N -3.74 0.59 -0.28 2.11 -1.94 0.37 -0.20 119.30 116.20 1qyr s MET 136 Ca 0.11 -0.17 -0.00 0.00 -1.71 0.00 0.00 55.69 53.92 1qyr s MET 136 Cb -0.05 -0.59 0.09 0.00 2.01 0.00 0.00 34.83 36.29 1qyr s MET 136 CO 0.06 0.05 0.06 -1.01 -0.01 0.00 0.00 175.02 174.17 1qyr s HIS 137 N 0.24 1.92 0.01 -0.03 3.76 0.69 -0.24 115.29 121.65 1qyr s HIS 137 Ca -0.03 -1.74 0.08 0.00 -0.15 0.00 0.00 55.06 53.23 1qyr s HIS 137 Cb -0.07 -1.72 -0.02 0.00 1.11 0.00 0.00 32.58 31.88 1qyr s HIS 137 CO -0.00 -0.83 -0.25 -0.06 -0.85 0.00 0.00 174.74 172.75 1qyr s PHE 138 N 1.55 2.35 -0.15 1.40 2.99 -0.81 -1.06 117.98 124.25 1qyr s PHE 138 Ca 0.06 -0.41 -0.26 0.00 0.00 0.00 0.00 56.93 56.32 1qyr s PHE 138 Cb -0.18 -1.45 -0.02 0.00 0.00 0.00 0.00 43.02 41.37 1qyr s PHE 138 CO -0.18 0.06 0.86 1.41 -0.00 0.00 0.00 175.22 177.37 1qyr s MET 139 N -0.94 4.33 0.26 0.44 -2.45 -0.34 -1.46 119.30 119.13 1qyr s MET 139 Ca 0.11 1.08 0.02 0.00 -1.25 0.00 0.00 55.69 55.65 1qyr s MET 139 Cb -0.10 -3.56 -0.04 0.00 1.25 0.00 0.00 34.83 32.38 1qyr s MET 139 CO 0.01 -0.30 0.15 -0.51 1.05 0.00 0.00 175.02 175.42 1qyr s LEU 140 N 2.04 1.47 0.33 4.11 1.43 0.64 -2.86 118.68 125.85 1qyr s LEU 140 Ca 0.40 -1.48 -0.29 0.00 -1.03 0.00 0.00 54.13 51.73 1qyr s LEU 140 Cb -0.17 0.28 -0.11 0.00 0.03 0.00 0.00 46.19 46.22 1qyr s LEU 140 CO 0.14 -0.86 1.46 -1.10 0.23 0.00 0.00 176.35 176.22 1qyr s GLN 141 N -3.95 4.19 0.24 1.70 -0.21 -1.26 -0.03 119.66 120.34 1qyr s GLN 141 Ca 0.38 2.45 -0.05 0.00 0.02 0.00 0.00 55.36 58.16 1qyr s GLN 141 Cb 0.06 -3.02 0.38 0.00 1.00 0.00 0.00 33.01 31.43 1qyr s GLN 141 CO 0.16 -0.46 1.80 -0.22 -2.12 0.00 0.00 175.29 174.45 1qyr h LYS 142 N 3.78 0.73 0.00 2.91 3.64 -1.22 -0.30 116.57 126.11 1qyr h LYS 142 Ca -0.49 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 58.82 1qyr h LYS 142 Cb 1.23 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1qyr h LYS 142 CO 0.70 0.48 -0.12 0.93 -2.27 0.00 0.00 179.45 179.17 1qyr h GLU 143 N 0.75 0.00 -0.31 1.90 4.39 -1.91 -1.07 114.58 118.34 1qyr h GLU 143 Ca 0.39 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.98 1qyr h GLU 143 Cb 0.36 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1qyr h GLU 143 CO -0.25 0.12 -0.22 0.28 -1.16 0.00 0.00 179.01 177.78 1qyr h VAL 144 N 0.00 1.30 -0.49 3.13 2.07 -1.42 -2.30 116.25 118.52 1qyr h VAL 144 Ca -0.00 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 1qyr h VAL 144 Cb 0.26 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1qyr h VAL 144 CO 0.02 0.44 0.27 0.58 0.02 0.00 0.00 177.57 178.90 1qyr h VAL 145 N 0.44 1.17 -0.79 2.57 2.07 -0.99 -1.15 116.25 119.57 1qyr h VAL 145 Ca 0.06 -0.42 0.08 0.00 0.82 0.00 0.00 66.70 67.24 1qyr h VAL 145 Cb 0.77 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 1qyr h VAL 145 CO 0.06 0.18 0.52 0.78 0.02 0.00 0.00 177.57 179.13 1qyr h ASN 146 N 0.66 0.70 -0.15 0.57 2.35 -1.18 -1.99 115.58 116.54 1qyr h ASN 146 Ca 0.17 0.01 -0.17 0.00 -0.55 0.00 0.00 56.30 55.77 1qyr h ASN 146 Cb 0.04 -0.14 0.01 0.00 0.05 0.00 0.00 38.32 38.28 1qyr h ASN 146 CO -0.03 0.44 -0.56 0.03 -1.65 0.00 0.00 177.43 175.66 1qyr h ARG 147 N 0.79 0.65 -0.69 0.81 3.08 -0.95 -1.80 114.38 116.27 1qyr h ARG 147 Ca 0.36 -0.49 0.10 0.00 0.07 0.00 0.00 59.98 60.01 1qyr h ARG 147 Cb 0.35 0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.42 1qyr h ARG 147 CO -0.13 1.11 0.32 -0.07 -1.07 0.00 0.00 179.97 180.13 1qyr h LEU 148 N 0.32 0.38 0.00 3.04 3.38 -0.76 -2.68 115.31 118.99 1qyr h LEU 148 Ca -0.03 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1qyr h LEU 148 Cb 1.19 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1qyr h LEU 148 CO 0.12 0.21 -0.85 1.62 0.09 0.00 0.00 178.44 179.63 1qyr h VAL 149 N 0.54 0.00 -3.46 1.22 3.04 -1.35 -3.41 116.25 112.82 1qyr h VAL 149 Ca 0.35 -0.74 -0.57 0.00 -1.01 0.00 0.00 66.70 64.73 1qyr h VAL 149 Cb 0.40 1.25 0.14 0.00 -2.01 0.00 0.00 31.29 31.07 1qyr h VAL 149 CO -0.29 0.00 0.26 0.00 -1.01 0.00 0.00 177.57 176.53 1qyr n ALA 150 N -2.00 0.56 -2.22 3.17 0.00 -0.68 -5.03 120.51 114.31 1qyr n ALA 150 Ca 0.01 0.14 -0.23 0.00 0.00 0.00 0.00 53.44 53.37 1qyr n ALA 150 Cb 0.49 -2.16 0.02 0.00 0.00 0.00 0.00 19.45 17.80 1qyr n ALA 150 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1qyr s GLY 151 N -0.91 2.09 0.96 0.00 0.00 -1.26 -4.81 107.32 103.38 1qyr s GLY 151 Ca 0.68 -1.70 -0.11 0.00 0.00 0.00 0.00 44.72 43.60 1qyr s GLY 151 CO 0.52 -1.79 1.11 -4.14 0.00 0.00 0.00 173.10 168.80 1qyr s PRO 152 N -4.40 0.72 -0.91 2.90 0.02 -1.26 -3.83 135.00 128.24 1qyr s PRO 152 Ca 0.47 1.29 0.00 0.00 0.02 0.00 0.00 61.00 62.78 1qyr s PRO 152 Cb -0.04 -1.71 0.00 0.00 0.02 0.00 0.00 34.50 32.77 1qyr s PRO 152 CO 0.29 -2.75 0.00 0.09 -0.33 0.00 0.00 177.00 174.30 1qyr n ASN 153 N -4.29 -3.92 -4.21 2.53 3.02 0.69 -5.00 115.26 104.08 1qyr n ASN 153 Ca 0.09 0.19 -0.12 0.00 -0.03 0.00 0.00 54.58 54.70 1qyr n ASN 153 Cb 0.53 -2.33 -0.10 0.00 -0.61 0.00 0.00 39.78 37.27 1qyr n ASN 153 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1qyr s SER 154 N -2.87 1.47 0.28 6.41 1.04 -1.25 -5.05 113.70 113.73 1qyr s SER 154 Ca 0.00 -1.01 -0.03 0.00 0.48 0.00 0.00 55.95 55.39 1qyr s SER 154 Cb 0.00 0.04 0.40 0.00 0.10 0.00 0.00 66.02 66.56 1qyr s SER 154 CO 0.00 -0.40 1.95 0.50 0.98 0.00 0.00 173.24 176.28 1qyr h LYS 155 N 2.88 1.15 0.00 4.02 3.64 -1.95 -2.62 116.57 123.69 1qyr h LYS 155 Ca -0.36 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1qyr h LYS 155 Cb 1.18 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1qyr h LYS 155 CO 0.64 0.76 0.00 0.00 -2.27 0.00 0.00 179.45 178.58 1qyr h ALA 156 N 1.45 1.00 -2.35 5.00 0.00 -1.92 -3.44 119.26 119.01 1qyr h ALA 156 Ca 0.33 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.70 1qyr h ALA 156 Cb -0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1qyr h ALA 156 CO -0.08 0.00 1.00 -0.47 0.00 0.00 0.00 179.25 179.70 1qyr s TYR 157 N -3.36 2.33 0.00 0.00 5.04 -0.99 -4.39 117.35 115.99 1qyr s TYR 157 Ca 0.05 0.39 0.00 0.00 -2.44 0.00 0.00 57.07 55.07 1qyr s TYR 157 Cb 0.08 -3.87 0.00 0.00 0.35 0.00 0.00 41.96 38.52 1qyr s TYR 157 CO 0.58 -3.51 0.00 0.41 -1.34 0.00 0.00 175.55 171.69 1qyr n GLY 158 N 3.97 2.88 0.37 8.97 0.00 -1.26 -4.87 105.19 115.24 1qyr n GLY 158 Ca 0.16 -1.12 0.10 0.00 0.00 0.00 0.00 46.02 45.16 1qyr n GLY 158 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1qyr h ARG 159 N 0.00 0.72 -0.34 1.61 2.43 -1.92 -2.15 114.38 114.73 1qyr h ARG 159 Ca 0.00 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.07 1qyr h ARG 159 Cb 0.00 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 1qyr h ARG 159 CO 0.00 0.47 -0.00 1.25 -1.51 0.00 0.00 179.97 180.18 1qyr h LEU 160 N 0.74 0.59 -0.44 3.80 5.85 -1.94 -0.71 115.31 123.20 1qyr h LEU 160 Ca 0.42 -0.31 0.08 0.00 0.84 0.00 0.00 57.88 58.91 1qyr h LEU 160 Cb 0.59 -0.16 -0.10 0.00 0.37 0.00 0.00 40.66 41.36 1qyr h LEU 160 CO -0.18 0.76 -0.33 0.28 -0.34 0.00 0.00 178.44 178.62 1qyr h SER 161 N 0.41 -1.12 0.23 1.25 0.02 -1.44 0.27 113.55 113.17 1qyr h SER 161 Ca 0.10 0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 1qyr h SER 161 Cb 0.46 0.53 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1qyr h SER 161 CO 0.02 -0.32 -0.11 0.58 -1.14 0.00 0.00 176.83 175.86 1qyr h VAL 162 N -0.24 0.83 -0.12 2.27 2.07 -1.08 0.44 116.25 120.41 1qyr h VAL 162 Ca 0.18 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.32 1qyr h VAL 162 Cb 0.54 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1qyr h VAL 162 CO -0.57 0.09 0.04 0.24 0.02 0.00 0.00 177.57 177.38 1qyr h MET 163 N -0.51 0.09 -0.87 1.57 2.07 -1.13 0.58 114.93 116.73 1qyr h MET 163 Ca -0.03 -0.01 0.01 0.00 -2.07 0.00 0.00 59.70 57.60 1qyr h MET 163 Cb 0.38 -0.02 -0.04 0.00 -1.87 0.00 0.00 31.60 30.05 1qyr h MET 163 CO 0.05 0.06 0.58 0.00 1.07 0.00 0.00 176.91 178.67 1qyr h ALA 164 N 1.08 1.11 0.00 6.32 0.00 -0.91 -2.57 119.26 124.29 1qyr h ALA 164 Ca 0.05 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1qyr h ALA 164 Cb 0.03 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1qyr h ALA 164 CO -0.06 0.50 -0.40 1.96 0.00 0.00 0.00 179.25 181.25 1qyr h GLN 165 N 1.18 0.00 -0.15 0.00 4.20 -0.67 0.12 115.11 119.79 1qyr h GLN 165 Ca 0.32 0.00 0.01 0.00 0.06 0.00 0.00 58.65 59.05 1qyr h GLN 165 Cb -0.13 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 1qyr h GLN 165 CO -0.07 0.40 0.05 -0.92 -0.67 0.00 0.00 178.83 177.61 1qyr h TYR 166 N 0.00 0.08 0.06 2.96 5.03 -0.50 -3.24 116.97 121.36 1qyr h TYR 166 Ca -0.00 0.01 -0.25 0.00 2.58 0.00 0.00 58.73 61.06 1qyr h TYR 166 Cb 1.11 -0.02 0.01 0.00 1.55 0.00 0.00 36.73 39.38 1qyr h TYR 166 CO 0.00 0.04 -1.08 1.88 -1.32 0.00 0.00 178.16 177.68 1qyr h TYR 167 N 0.12 0.59 -3.95 -3.82 -1.99 -1.24 -3.46 116.97 103.20 1qyr h TYR 167 Ca 0.06 -0.36 -0.13 0.00 2.00 0.00 0.00 58.73 60.30 1qyr h TYR 167 Cb 0.04 -0.05 -0.17 0.00 2.00 0.00 0.00 36.73 38.55 1qyr h TYR 167 CO -0.11 1.22 -0.59 0.00 -0.00 0.00 0.00 178.16 178.68 1qyr s ASN 169 N -2.28 7.12 -0.25 0.00 2.47 -0.17 -4.18 114.94 117.64 1qyr s ASN 169 Ca -0.03 1.86 -0.08 0.00 0.42 0.00 0.00 52.86 55.03 1qyr s ASN 169 Cb 0.00 -2.57 -0.03 0.00 -1.45 0.00 0.00 41.25 37.21 1qyr s ASN 169 CO -0.06 -0.49 0.08 -0.69 -3.72 0.00 0.00 177.10 172.22 1qyr s VAL 170 N 1.59 4.38 -0.30 -5.21 1.01 -1.26 -1.80 120.40 118.80 1qyr s VAL 170 Ca 0.56 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.39 1qyr s VAL 170 Cb -0.26 -3.06 0.09 0.00 0.00 0.00 0.00 36.38 33.16 1qyr s VAL 170 CO 0.25 0.33 0.06 -0.63 0.00 0.00 0.00 175.10 175.11 1qyr s ILE 171 N 1.62 1.34 0.32 2.22 1.01 0.64 -4.91 121.20 123.45 1qyr s ILE 171 Ca 0.06 -1.61 -0.29 0.00 0.00 0.00 0.00 60.65 58.81 1qyr s ILE 171 Cb -0.15 -1.94 -0.11 0.00 0.01 0.00 0.00 42.46 40.26 1qyr s ILE 171 CO 0.04 -0.56 1.50 -2.84 0.00 0.00 0.00 174.94 173.08 1qyr s PRO 172 N 1.40 4.17 -0.02 2.79 0.02 -1.26 0.05 135.00 142.15 1qyr s PRO 172 Ca 0.08 2.49 -0.07 0.00 0.02 0.00 0.00 61.00 63.52 1qyr s PRO 172 Cb -0.18 -3.02 -0.02 0.00 0.02 0.00 0.00 34.50 31.29 1qyr s PRO 172 CO -0.17 -0.51 -0.13 0.28 -0.33 0.00 0.00 177.00 176.13 1qyr n VAL 173 N 1.46 1.23 -3.86 3.83 0.31 0.72 -4.86 118.33 117.17 1qyr n VAL 173 Ca 0.05 0.29 -0.11 0.00 -0.01 0.00 0.00 64.34 64.55 1qyr n VAL 173 Cb 0.39 -1.84 -0.10 0.00 -0.91 0.00 0.00 33.84 31.37 1qyr n VAL 173 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1qyr s LEU 174 N -7.16 1.51 -0.10 7.52 1.43 -1.00 -4.95 118.68 115.94 1qyr s LEU 174 Ca -0.11 -0.08 -0.03 0.00 -1.03 0.00 0.00 54.13 52.88 1qyr s LEU 174 Cb 0.02 0.64 -0.04 0.00 0.03 0.00 0.00 46.19 46.84 1qyr s LEU 174 CO 0.16 -0.29 0.04 -1.61 0.23 0.00 0.00 176.35 174.88 1qyr s GLU 175 N -1.02 3.12 -0.08 1.70 2.02 -1.26 0.03 118.70 123.20 1qyr s GLU 175 Ca -0.11 -0.33 -0.01 0.00 0.02 0.00 0.00 54.97 54.55 1qyr s GLU 175 Cb -0.06 -2.91 0.03 0.00 0.10 0.00 0.00 34.13 31.28 1qyr s GLU 175 CO 0.01 0.72 -0.03 0.08 0.02 0.00 0.00 175.26 176.06 1qyr s VAL 176 N -0.92 0.65 0.66 2.63 1.01 0.11 -4.94 120.40 119.59 1qyr s VAL 176 Ca 0.14 -0.06 -0.14 0.00 0.00 0.00 0.00 61.98 61.92 1qyr s VAL 176 Cb -0.12 -0.74 -0.00 0.00 0.00 0.00 0.00 36.38 35.53 1qyr s VAL 176 CO 0.03 0.30 1.08 -2.16 0.00 0.00 0.00 175.10 174.35 1qyr s PRO 177 N 1.77 2.92 0.46 2.72 0.04 -1.26 -1.16 135.00 140.48 1qyr s PRO 177 Ca 0.03 1.22 0.20 0.00 0.04 0.00 0.00 61.00 62.50 1qyr s PRO 177 Cb -0.13 -1.98 1.19 0.00 0.04 0.00 0.00 34.50 33.62 1qyr s PRO 177 CO -0.06 -1.13 1.92 -1.35 0.04 0.00 0.00 177.00 176.42 1qyr h PRO 178 N -0.13 0.26 0.00 0.56 0.11 -1.86 -1.33 132.00 129.62 1qyr h PRO 178 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1qyr h PRO 178 Cb 1.23 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1qyr h PRO 178 CO 0.55 0.17 0.00 -1.13 -0.21 0.00 0.00 178.00 177.39 1qyr n SER 179 N -4.44 0.14 0.00 -2.05 3.41 -1.26 -1.41 113.62 108.01 1qyr n SER 179 Ca 0.15 0.55 0.14 0.00 -0.26 0.00 0.00 58.87 59.45 1qyr n SER 179 Cb 0.63 -0.57 0.65 0.00 -0.26 0.00 0.00 64.21 64.65 1qyr n SER 179 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qyr n ALA 180 N -1.56 2.35 -2.48 7.33 0.00 -0.50 -4.83 120.51 120.81 1qyr n ALA 180 Ca 0.01 -0.11 -0.27 0.00 0.00 0.00 0.00 53.44 53.07 1qyr n ALA 180 Cb 0.09 -1.47 -0.11 0.00 0.00 0.00 0.00 19.45 17.96 1qyr n ALA 180 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1qyr s PHE 181 N -2.87 2.43 -0.14 0.00 0.08 -0.50 -1.04 117.98 115.93 1qyr s PHE 181 Ca 0.18 -0.30 -0.01 0.00 0.12 0.00 0.00 56.93 56.92 1qyr s PHE 181 Cb 0.19 -1.19 0.04 0.00 -0.57 0.00 0.00 43.02 41.48 1qyr s PHE 181 CO 0.50 0.51 -0.04 0.99 -0.10 0.00 0.00 175.22 177.07 1qyr s THR 182 N -1.71 0.95 0.71 0.64 2.01 0.60 -2.18 115.64 116.67 1qyr s THR 182 Ca 0.23 -0.45 -0.12 0.00 0.31 0.00 0.00 61.69 61.66 1qyr s THR 182 Cb -0.08 -1.11 0.02 0.00 0.01 0.00 0.00 72.50 71.34 1qyr s THR 182 CO 0.12 0.18 1.08 -2.16 -0.69 0.00 0.00 174.62 173.15 1qyr s PRO 183 N 1.71 2.67 0.27 4.92 0.04 -1.26 -1.59 135.00 141.76 1qyr s PRO 183 Ca 0.02 1.12 -0.30 0.00 0.04 0.00 0.00 61.00 61.89 1qyr s PRO 183 Cb -0.14 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.35 1qyr s PRO 183 CO -0.08 -1.32 1.41 -1.25 0.04 0.00 0.00 177.00 175.80 1qyr s PRO 184 N -4.77 4.29 1.07 0.56 0.04 -0.92 -4.53 135.00 130.74 1qyr s PRO 184 Ca 0.61 2.28 -0.15 0.00 0.04 0.00 0.00 61.00 63.78 1qyr s PRO 184 Cb -0.16 -3.10 0.22 0.00 0.04 0.00 0.00 34.50 31.50 1qyr s PRO 184 CO 0.52 -0.37 1.10 -1.25 0.04 0.00 0.00 177.00 177.05 1qyr s PRO 185 N -0.74 -0.15 0.14 0.56 0.05 -1.26 -4.98 135.00 128.61 1qyr s PRO 185 Ca 0.57 0.29 0.24 0.00 0.05 0.00 0.00 61.00 62.14 1qyr s PRO 185 Cb -0.41 -1.69 0.37 0.00 0.05 0.00 0.00 34.50 32.82 1qyr s PRO 185 CO 0.46 -3.07 1.35 0.87 0.05 0.00 0.00 177.00 176.66 1qyr h LYS 186 N -2.13 0.00 -5.08 4.56 1.57 -1.96 -3.44 116.57 110.08 1qyr h LYS 186 Ca -0.52 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 57.91 1qyr h LYS 186 Cb 1.32 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.49 1qyr h LYS 186 CO 0.50 0.00 -0.69 0.54 -0.57 0.00 0.00 179.45 179.23 1qyr s VAL 187 N -3.17 1.12 0.56 0.50 0.11 -1.26 -5.05 120.40 113.21 1qyr s VAL 187 Ca 0.06 -2.05 -0.21 0.00 -2.93 0.00 0.00 61.98 56.85 1qyr s VAL 187 Cb 0.13 -2.05 -0.04 0.00 -1.53 0.00 0.00 36.38 32.88 1qyr s VAL 187 CO 0.71 -0.57 1.34 -1.81 -3.33 0.00 0.00 175.10 171.43 1qyr s ASP 188 N -3.23 5.16 0.37 3.54 1.11 -1.26 -4.52 116.67 117.85 1qyr s ASP 188 Ca 0.22 2.71 0.08 0.00 0.18 0.00 0.00 52.55 55.74 1qyr s ASP 188 Cb 0.04 -2.63 -0.05 0.00 1.07 0.00 0.00 42.92 41.34 1qyr s ASP 188 CO 0.04 -1.64 0.08 -0.44 1.18 0.00 0.00 175.17 174.40 1qyr s SER 189 N -1.07 4.29 0.03 0.27 0.01 -0.31 -0.88 113.70 116.04 1qyr s SER 189 Ca 0.74 -1.03 -0.23 0.00 1.31 0.00 0.00 55.95 56.73 1qyr s SER 189 Cb -0.39 -0.52 0.05 0.00 0.21 0.00 0.00 66.02 65.37 1qyr s SER 189 CO 0.45 -0.37 0.52 0.00 0.41 0.00 0.00 173.24 174.25 1qyr s ALA 190 N -2.56 -1.34 -0.13 1.44 0.00 0.95 0.07 121.76 120.20 1qyr s ALA 190 Ca 0.37 0.66 -0.04 0.00 0.00 0.00 0.00 51.96 52.95 1qyr s ALA 190 Cb 0.02 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 1qyr s ALA 190 CO 0.21 -0.47 0.03 0.08 0.00 0.00 0.00 175.76 175.61 1qyr s VAL 191 N -2.20 4.51 0.06 0.00 1.01 0.10 -0.26 120.40 123.62 1qyr s VAL 191 Ca -0.07 -0.16 0.07 0.00 0.00 0.00 0.00 61.98 61.83 1qyr s VAL 191 Cb -0.01 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.39 1qyr s VAL 191 CO 0.00 0.55 -0.20 0.54 0.00 0.00 0.00 175.10 175.99 1qyr s VAL 192 N -0.31 1.59 -0.15 2.92 0.11 -0.54 -0.20 120.40 123.83 1qyr s VAL 192 Ca 0.07 -1.29 -0.04 0.00 -2.93 0.00 0.00 61.98 57.79 1qyr s VAL 192 Cb -0.12 -1.42 -0.03 0.00 -1.53 0.00 0.00 36.38 33.28 1qyr s VAL 192 CO 0.02 0.08 -0.01 -0.60 -3.33 0.00 0.00 175.10 171.26 1qyr s ARG 193 N -1.43 3.59 -0.16 1.54 3.52 0.11 -1.93 118.95 124.20 1qyr s ARG 193 Ca 0.06 -0.46 0.01 0.00 -0.13 0.00 0.00 55.73 55.21 1qyr s ARG 193 Cb -0.09 -2.95 0.02 0.00 -1.56 0.00 0.00 34.95 30.37 1qyr s ARG 193 CO 0.03 0.35 -0.18 -0.51 -0.81 0.00 0.00 175.30 174.18 1qyr s LEU 194 N 0.10 1.91 -0.31 -0.88 1.43 0.67 -0.26 118.68 121.35 1qyr s LEU 194 Ca 0.01 -0.56 0.03 0.00 -1.03 0.00 0.00 54.13 52.58 1qyr s LEU 194 Cb -0.13 -1.32 0.09 0.00 0.03 0.00 0.00 46.19 44.85 1qyr s LEU 194 CO 0.02 -0.01 0.01 -0.69 0.23 0.00 0.00 176.35 175.91 1qyr s VAL 195 N 1.27 1.97 0.20 -1.59 1.01 -0.74 -0.47 120.40 122.05 1qyr s VAL 195 Ca 0.02 -1.93 -0.31 0.00 0.00 0.00 0.00 61.98 59.76 1qyr s VAL 195 Cb -0.13 -2.35 -0.15 0.00 0.00 0.00 0.00 36.38 33.74 1qyr s VAL 195 CO -0.10 -0.43 1.09 -2.65 0.00 0.00 0.00 175.10 173.01 1qyr n PRO 196 N 4.42 1.15 -2.05 2.72 -0.02 -1.26 -1.00 135.00 138.96 1qyr n PRO 196 Ca -0.02 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.44 1qyr n PRO 196 Cb 0.42 -1.85 -0.03 0.00 -0.02 0.00 0.00 33.50 32.03 1qyr n PRO 196 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 1qyr s HIS 197 N -0.46 3.09 0.10 6.00 3.76 -0.89 -4.81 115.29 122.07 1qyr s HIS 197 Ca 0.69 0.76 -0.26 0.00 -0.15 0.00 0.00 55.06 56.10 1qyr s HIS 197 Cb -0.82 -3.81 -0.11 0.00 1.11 0.00 0.00 32.58 28.96 1qyr s HIS 197 CO 0.54 -2.94 1.67 0.00 -0.85 0.00 0.00 174.74 173.17 1qyr h ALA 198 N 6.97 -0.32 -3.30 -1.40 0.00 -1.94 -3.38 119.26 115.89 1qyr h ALA 198 Ca -0.42 -0.04 -0.68 0.00 0.00 0.00 0.00 54.91 53.77 1qyr h ALA 198 Cb 1.21 0.25 -0.31 0.00 0.00 0.00 0.00 17.79 18.94 1qyr h ALA 198 CO 0.89 -0.71 -0.72 0.99 0.00 0.00 0.00 179.25 179.70 1qyr s THR 199 N -6.12 3.04 -0.06 0.00 2.01 -1.26 -5.09 115.64 108.16 1qyr s THR 199 Ca -0.15 -1.07 -0.32 0.00 0.31 0.00 0.00 61.69 60.46 1qyr s THR 199 Cb 0.07 -2.60 -0.10 0.00 0.01 0.00 0.00 72.50 69.88 1qyr s THR 199 CO 0.65 0.11 1.97 0.23 -0.69 0.00 0.00 174.62 176.89 1qyr n MET 200 N 4.68 2.42 0.15 4.92 0.00 -1.26 -4.88 117.12 123.15 1qyr n MET 200 Ca -0.15 0.87 -0.00 0.00 0.00 0.00 0.00 57.70 58.41 1qyr n MET 200 Cb 0.46 -2.86 0.22 0.00 0.00 0.00 0.00 33.22 31.05 1qyr n MET 200 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 1qyr h PRO 201 N 10.52 0.00 -2.48 0.03 0.13 -1.95 -3.37 132.00 134.87 1qyr h PRO 201 Ca -0.48 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.06 1qyr h PRO 201 Cb 1.26 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 32.00 1qyr h PRO 201 CO 0.95 0.55 -0.91 -1.01 -0.23 0.00 0.00 178.00 177.34 1qyr s HIS 202 N -3.76 1.32 0.52 1.56 3.76 -1.26 -5.13 115.29 112.31 1qyr s HIS 202 Ca -0.02 -2.35 -0.23 0.00 -0.15 0.00 0.00 55.06 52.32 1qyr s HIS 202 Cb 0.13 -1.12 -0.06 0.00 1.11 0.00 0.00 32.58 32.64 1qyr s HIS 202 CO 0.75 -0.80 1.38 -2.14 -0.85 0.00 0.00 174.74 173.09 1qyr s PRO 203 N 0.04 3.26 -0.06 8.40 0.02 -1.26 -4.95 135.00 140.46 1qyr s PRO 203 Ca 0.30 2.30 0.05 0.00 0.02 0.00 0.00 61.00 63.67 1qyr s PRO 203 Cb -0.01 -2.36 -0.00 0.00 0.02 0.00 0.00 34.50 32.15 1qyr s PRO 203 CO -0.16 -1.11 -0.20 0.08 -0.33 0.00 0.00 177.00 175.27 1qyr s VAL 204 N -1.27 1.70 0.22 3.83 1.01 -1.26 -4.94 120.40 119.69 1qyr s VAL 204 Ca 0.69 -0.86 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 1qyr s VAL 204 Cb -0.42 -1.45 0.19 0.00 0.00 0.00 0.00 36.38 34.70 1qyr s VAL 204 CO 0.50 0.48 1.69 0.07 0.00 0.00 0.00 175.10 177.84 1qyr h LYS 205 N 6.28 0.23 -2.18 2.72 -0.00 -1.93 -3.41 116.57 118.27 1qyr h LYS 205 Ca -0.31 -0.01 -0.20 0.00 -0.00 0.00 0.00 60.65 60.12 1qyr h LYS 205 Cb 1.18 -0.05 -0.32 0.00 -0.00 0.00 0.00 32.23 33.04 1qyr h LYS 205 CO 0.47 0.15 -0.52 0.34 -0.00 0.00 0.00 179.45 179.89 1qyr s ASP 206 N -5.27 0.58 0.41 7.07 2.15 -1.26 -5.06 116.67 115.29 1qyr s ASP 206 Ca -0.13 0.15 0.12 0.00 0.43 0.00 0.00 52.55 53.12 1qyr s ASP 206 Cb 0.19 0.87 0.87 0.00 -0.30 0.00 0.00 42.92 44.56 1qyr s ASP 206 CO 0.74 -0.30 1.93 -0.37 -0.17 0.00 0.00 175.17 177.01 1qyr h VAL 207 N 6.23 1.17 -0.58 1.11 -1.51 -2.00 -2.53 116.25 118.15 1qyr h VAL 207 Ca -0.18 -0.81 0.14 0.00 -1.23 0.00 0.00 66.70 64.62 1qyr h VAL 207 Cb 1.15 1.37 -0.03 0.00 -2.13 0.00 0.00 31.29 31.65 1qyr h VAL 207 CO 0.26 0.24 0.41 0.03 -1.23 0.00 0.00 177.57 177.27 1qyr h ARG 208 N 0.08 0.15 -0.08 5.19 3.08 -1.98 0.16 114.38 120.97 1qyr h ARG 208 Ca 0.01 -0.01 -0.14 0.00 0.07 0.00 0.00 59.98 59.92 1qyr h ARG 208 Cb 0.41 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.43 1qyr h ARG 208 CO 0.03 0.10 -0.49 0.28 -1.07 0.00 0.00 179.97 178.82 1qyr h VAL 209 N 0.15 1.39 -0.44 2.04 2.07 -1.84 -0.33 116.25 119.29 1qyr h VAL 209 Ca 0.28 -1.85 0.01 0.00 0.82 0.00 0.00 66.70 65.96 1qyr h VAL 209 Cb 0.89 2.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.92 1qyr h VAL 209 CO -0.04 0.55 0.29 0.25 0.02 0.00 0.00 177.57 178.64 1qyr h LEU 210 N 0.04 0.50 -0.74 2.57 5.85 -1.18 0.86 115.31 123.21 1qyr h LEU 210 Ca -0.04 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.74 1qyr h LEU 210 Cb 1.14 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.99 1qyr h LEU 210 CO 0.10 0.36 0.43 -1.28 -0.34 0.00 0.00 178.44 177.71 1qyr h SER 211 N 0.59 0.64 -0.29 1.25 0.87 -0.74 -1.79 113.55 114.09 1qyr h SER 211 Ca 0.16 0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.72 1qyr h SER 211 Cb -0.06 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 61.79 1qyr h SER 211 CO -0.04 0.41 0.05 -0.09 -0.53 0.00 0.00 176.83 176.62 1qyr h ARG 212 N 0.78 0.48 0.00 2.24 2.43 -0.07 -1.88 114.38 118.35 1qyr h ARG 212 Ca 0.34 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1qyr h ARG 212 Cb 0.21 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1qyr h ARG 212 CO -0.19 0.58 -0.00 0.82 -1.51 0.00 0.00 179.97 179.67 1qyr h ILE 213 N 0.30 1.01 -0.52 1.20 2.04 -0.59 -1.61 117.51 119.35 1qyr h ILE 213 Ca 0.09 -0.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 1qyr h ILE 213 Cb 0.34 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1qyr h ILE 213 CO 0.01 0.01 0.18 0.71 0.00 0.00 0.00 178.15 179.06 1qyr h THR 214 N -0.02 1.20 -0.16 -0.27 1.35 -1.36 0.64 112.91 114.29 1qyr h THR 214 Ca -0.00 -0.66 -0.01 0.00 -0.55 0.00 0.00 66.41 65.20 1qyr h THR 214 Cb 0.02 0.61 -0.01 0.00 -1.73 0.00 0.00 68.15 67.05 1qyr h THR 214 CO 0.00 0.25 0.07 0.74 -0.25 0.00 0.00 175.52 176.34 1qyr h THR 215 N 0.74 1.13 -0.31 6.82 2.02 -1.02 -0.80 112.91 121.50 1qyr h THR 215 Ca 0.17 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 1qyr h THR 215 Cb 0.19 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1qyr h THR 215 CO -0.01 0.12 0.10 -0.33 0.37 0.00 0.00 175.52 175.77 1qyr h GLU 216 N 0.12 0.48 -0.14 6.66 4.39 -0.97 0.04 114.58 125.17 1qyr h GLU 216 Ca 0.05 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 1qyr h GLU 216 Cb 0.13 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 1qyr h GLU 216 CO -0.01 0.53 0.08 0.00 -1.16 0.00 0.00 179.01 178.45 1qyr h ALA 217 N 0.93 0.17 0.00 3.43 0.00 -0.80 -3.22 119.26 119.77 1qyr h ALA 217 Ca 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1qyr h ALA 217 Cb 0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1qyr h ALA 217 CO -0.00 -0.32 -0.53 0.74 0.00 0.00 0.00 179.25 179.14 1qyr h PHE 218 N 0.15 0.00 0.00 0.00 -1.00 -1.05 -2.91 116.94 112.13 1qyr h PHE 218 Ca 0.05 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.83 1qyr h PHE 218 Cb 0.03 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.59 1qyr h PHE 218 CO -0.06 0.14 0.00 -0.91 -1.61 0.00 0.00 178.31 175.87 1qyr h ASN 219 N 0.00 0.00 -1.78 2.17 2.35 -0.99 -2.72 115.58 114.61 1qyr h ASN 219 Ca -0.02 0.00 -0.50 0.00 -0.55 0.00 0.00 56.30 55.24 1qyr h ASN 219 Cb 1.12 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 39.08 1qyr h ASN 219 CO 0.01 0.00 -0.99 0.00 -1.65 0.00 0.00 177.43 174.80 1qyr n GLN 220 N -2.66 1.92 0.17 0.81 6.02 -1.10 -4.94 117.38 117.60 1qyr n GLN 220 Ca -0.01 -3.88 0.13 0.00 -0.01 0.00 0.00 57.00 53.23 1qyr n GLN 220 Cb 0.13 -1.81 0.58 0.00 1.02 0.00 0.00 30.24 30.15 1qyr n GLN 220 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1qyr h ARG 221 N 2.93 0.00 -0.65 -1.09 0.11 -1.45 -2.17 114.38 112.06 1qyr h ARG 221 Ca 0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.17 1qyr h ARG 221 Cb 0.89 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.97 1qyr h ARG 221 CO 0.63 0.00 0.00 0.54 0.10 0.00 0.00 179.97 181.24 1qyr n ARG 222 N -2.44 3.93 -4.40 0.08 1.74 -1.26 -4.34 116.66 109.97 1qyr n ARG 222 Ca 0.01 -2.54 -0.23 0.00 -0.77 0.00 0.00 57.85 54.32 1qyr n ARG 222 Cb 0.21 -2.03 -0.11 0.00 -1.02 0.00 0.00 32.46 29.51 1qyr n ARG 222 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1qyr s LYS 223 N -2.24 1.48 0.73 5.56 -0.14 -0.82 -5.13 119.74 119.18 1qyr s LYS 223 Ca 0.44 -1.61 -0.13 0.00 -1.36 0.00 0.00 55.97 53.31 1qyr s LYS 223 Cb 0.32 -1.54 0.04 0.00 -1.68 0.00 0.00 37.83 34.97 1qyr s LYS 223 CO 0.16 0.30 1.13 0.95 -0.76 0.00 0.00 175.35 177.12 1qyr s THR 224 N -2.37 2.96 0.32 2.17 -4.23 -1.26 -4.12 115.64 109.11 1qyr s THR 224 Ca 0.24 0.39 0.35 0.00 -1.18 0.00 0.00 61.69 61.49 1qyr s THR 224 Cb -0.05 -2.85 0.38 0.00 1.34 0.00 0.00 72.50 71.31 1qyr s THR 224 CO 0.10 -0.33 2.10 0.16 -0.54 0.00 0.00 174.62 176.11 1qyr h ILE 225 N -0.59 0.16 -0.90 2.99 3.07 -0.74 0.03 117.51 121.54 1qyr h ILE 225 Ca -0.46 -0.43 0.08 0.00 1.55 0.00 0.00 64.86 65.61 1qyr h ILE 225 Cb 1.25 1.36 -0.07 0.00 -0.27 0.00 0.00 36.82 39.09 1qyr h ILE 225 CO 0.51 0.04 0.56 -0.09 -1.05 0.00 0.00 178.15 178.12 1qyr h ARG 226 N 0.00 0.95 0.05 0.16 2.43 -1.78 0.25 114.38 116.44 1qyr h ARG 226 Ca -0.00 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 58.99 1qyr h ARG 226 Cb 0.36 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1qyr h ARG 226 CO 0.01 0.63 -0.61 -0.97 -1.51 0.00 0.00 179.97 177.51 1qyr h ASN 227 N 0.98 0.16 0.66 -3.80 -0.73 -1.59 -3.02 115.58 108.23 1qyr h ASN 227 Ca 0.41 -0.88 -0.13 0.00 1.87 0.00 0.00 56.30 57.57 1qyr h ASN 227 Cb 0.26 -0.05 -0.02 0.00 0.27 0.00 0.00 38.32 38.78 1qyr h ASN 227 CO -0.20 1.27 -0.62 0.77 -0.37 0.00 0.00 177.43 178.27 1qyr h SER 228 N -0.76 0.00 -0.30 1.15 4.64 -0.80 -3.16 113.55 114.32 1qyr h SER 228 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1qyr h SER 228 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 1qyr h SER 228 CO 0.00 0.62 0.00 0.18 -0.87 0.00 0.00 176.83 176.77 1qyr n LEU 229 N -3.76 3.13 0.27 5.97 4.77 0.87 -4.55 117.00 123.69 1qyr n LEU 229 Ca -0.01 -2.29 0.12 0.00 -0.03 0.00 0.00 56.01 53.80 1qyr n LEU 229 Cb 0.63 -0.31 0.75 0.00 -2.33 0.00 0.00 43.42 42.16 1qyr n LEU 229 CO 0.42 0.70 1.02 1.23 -1.33 0.00 0.00 177.39 179.43 1qyr h GLY 230 N 1.82 0.00 2.00 -0.72 0.00 -1.49 0.24 103.07 104.93 1qyr h GLY 230 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qyr h GLY 230 CO 0.06 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.30 1qyr n ASN 231 N -3.86 0.74 -0.02 0.19 4.13 -1.26 -4.10 115.26 111.09 1qyr n ASN 231 Ca -0.02 0.63 -0.02 0.00 1.68 0.00 0.00 54.58 56.84 1qyr n ASN 231 Cb 0.18 -0.80 -0.03 0.00 -1.54 0.00 0.00 39.78 37.59 1qyr n ASN 231 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1qyr n LEU 232 N -2.26 0.75 -3.89 3.41 4.77 -0.09 -5.03 117.00 114.67 1qyr n LEU 232 Ca 0.04 -0.01 -0.20 0.00 -0.03 0.00 0.00 56.01 55.81 1qyr n LEU 232 Cb 0.32 0.03 -0.16 0.00 -2.33 0.00 0.00 43.42 41.27 1qyr n LEU 232 CO 0.24 0.21 -0.41 -0.36 -1.33 0.00 0.00 177.39 175.74 1qyr s PHE 233 N -2.08 0.76 0.81 -1.77 0.08 0.66 -5.05 117.98 111.39 1qyr s PHE 233 Ca -0.03 -0.21 -0.11 0.00 0.12 0.00 0.00 56.93 56.70 1qyr s PHE 233 Cb 0.01 -0.68 0.08 0.00 -0.57 0.00 0.00 43.02 41.86 1qyr s PHE 233 CO 0.13 -0.20 1.09 -1.54 -0.10 0.00 0.00 175.22 174.60 1qyr s SER 234 N 0.98 4.22 0.35 1.36 1.04 -1.26 -4.26 113.70 116.14 1qyr s SER 234 Ca -0.10 1.63 0.03 0.00 0.48 0.00 0.00 55.95 57.99 1qyr s SER 234 Cb -0.14 -2.35 0.66 0.00 0.10 0.00 0.00 66.02 64.29 1qyr s SER 234 CO -0.00 -2.19 2.01 1.62 0.98 0.00 0.00 173.24 175.66 1qyr h VAL 235 N -1.23 1.14 -0.32 5.02 3.04 -1.95 -1.33 116.25 120.61 1qyr h VAL 235 Ca -0.46 -0.29 -0.00 0.00 -1.01 0.00 0.00 66.70 64.94 1qyr h VAL 235 Cb 1.25 0.23 -0.02 0.00 -2.01 0.00 0.00 31.29 30.75 1qyr h VAL 235 CO 0.54 0.15 0.20 -0.33 -1.01 0.00 0.00 177.57 177.12 1qyr h GLU 236 N 0.84 0.44 -0.06 4.17 3.07 -1.99 0.11 114.58 121.16 1qyr h GLU 236 Ca 0.24 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 59.06 1qyr h GLU 236 Cb -0.05 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 27.76 1qyr h GLU 236 CO -0.06 0.32 0.04 0.28 -1.40 0.00 0.00 179.01 178.19 1qyr h VAL 237 N 0.42 1.05 -0.48 3.13 2.07 -1.82 -0.05 116.25 120.58 1qyr h VAL 237 Ca 0.12 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.53 1qyr h VAL 237 Cb -0.01 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 1qyr h VAL 237 CO -0.02 0.05 0.23 -0.07 0.02 0.00 0.00 177.57 177.77 1qyr h LEU 238 N 0.04 0.32 -0.79 2.57 3.38 -0.98 -2.38 115.31 117.47 1qyr h LEU 238 Ca 0.02 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1qyr h LEU 238 Cb 0.04 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1qyr h LEU 238 CO -0.00 0.22 0.35 0.74 0.09 0.00 0.00 178.44 179.84 1qyr h THR 239 N 0.45 1.25 -0.05 0.22 2.02 -0.52 -0.96 112.91 115.32 1qyr h THR 239 Ca 0.21 -0.75 -0.01 0.00 0.77 0.00 0.00 66.41 66.63 1qyr h THR 239 Cb 0.14 0.29 -0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1qyr h THR 239 CO -0.16 0.31 -0.02 1.23 0.37 0.00 0.00 175.52 177.25 1qyr h GLY 240 N 1.12 0.07 0.67 2.16 0.00 -0.57 -2.17 103.07 104.35 1qyr h GLY 240 Ca 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1qyr h GLY 240 CO -0.03 0.03 -0.15 1.03 0.00 0.00 0.00 176.54 177.42 1qyr n MET 241 N -4.48 0.76 -0.90 4.80 2.00 -0.92 -4.91 117.12 113.47 1qyr n MET 241 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 57.70 57.35 1qyr n MET 241 Cb 0.13 -1.49 0.00 0.00 0.00 0.00 0.00 33.22 31.85 1qyr n MET 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1qyr n GLY 242 N 1.29 0.47 3.67 3.03 0.00 -0.82 -5.04 105.19 107.79 1qyr n GLY 242 Ca 0.14 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 45.08 1qyr n GLY 242 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qyr s ILE 243 N -2.00 5.34 -0.24 -0.61 1.01 -0.41 -5.02 121.20 119.26 1qyr s ILE 243 Ca 0.00 0.26 -0.29 0.00 0.00 0.00 0.00 60.65 60.62 1qyr s ILE 243 Cb 0.00 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.94 1qyr s ILE 243 CO 0.00 0.34 1.18 -0.62 0.00 0.00 0.00 174.94 175.84 1qyr s ASP 244 N 0.99 6.91 0.41 3.58 3.68 -1.26 -3.75 116.67 127.23 1qyr s ASP 244 Ca 0.09 1.37 0.29 0.00 2.13 0.00 0.00 52.55 56.43 1qyr s ASP 244 Cb -0.13 -2.54 1.33 0.00 -1.45 0.00 0.00 42.92 40.12 1qyr s ASP 244 CO 0.04 -0.84 1.87 1.55 0.13 0.00 0.00 175.17 177.92 1qyr h PRO 245 N 8.26 0.00 0.00 4.34 0.13 -1.93 -1.47 132.00 141.33 1qyr h PRO 245 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1qyr h PRO 245 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1qyr h PRO 245 CO 1.00 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.77 1qyr h ALA 246 N 2.10 1.00 -2.33 -0.56 0.00 -1.98 -3.15 119.26 114.34 1qyr h ALA 246 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 1qyr h ALA 246 Cb 0.28 0.00 0.13 0.00 0.00 0.00 0.00 17.79 18.20 1qyr h ALA 246 CO 0.00 0.00 0.31 -1.64 0.00 0.00 0.00 179.25 177.92 1qyr s MET 247 N -3.18 2.10 0.39 0.00 -1.94 -0.56 -4.81 119.30 111.31 1qyr s MET 247 Ca 0.08 1.00 0.08 0.00 -1.71 0.00 0.00 55.69 55.14 1qyr s MET 247 Cb 0.11 -1.89 -0.04 0.00 2.01 0.00 0.00 34.83 35.02 1qyr s MET 247 CO 0.54 -1.71 0.24 1.03 -0.01 0.00 0.00 175.02 175.12 1qyr s ARG 248 N -4.96 2.38 0.24 2.03 0.52 -1.26 -0.26 118.95 117.64 1qyr s ARG 248 Ca 0.61 -1.66 -0.11 0.00 -0.52 0.00 0.00 55.73 54.05 1qyr s ARG 248 Cb -0.17 -2.17 0.34 0.00 0.52 0.00 0.00 34.95 33.47 1qyr s ARG 248 CO 0.56 -0.08 1.59 0.00 0.02 0.00 0.00 175.30 177.39 1qyr h ALA 249 N 1.31 0.52 0.00 2.13 0.00 -1.76 0.27 119.26 121.73 1qyr h ALA 249 Ca -0.43 0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1qyr h ALA 249 Cb 1.26 0.63 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1qyr h ALA 249 CO 0.64 -0.41 0.00 -0.85 0.00 0.00 0.00 179.25 178.62 1qyr n GLU 250 N -5.53 0.07 0.09 0.00 0.28 -1.26 -2.38 120.64 111.91 1qyr n GLU 250 Ca 0.12 0.35 0.12 0.00 -0.16 0.00 0.00 57.16 57.59 1qyr n GLU 250 Cb 0.41 -1.65 0.16 0.00 1.43 0.00 0.00 31.44 31.80 1qyr n GLU 250 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 1qyr h ASN 251 N 0.00 0.00 -3.38 -1.84 -0.26 -1.32 0.20 115.58 108.98 1qyr h ASN 251 Ca 0.00 -0.11 -0.55 0.00 -0.56 0.00 0.00 56.30 55.08 1qyr h ASN 251 Cb 0.25 0.00 -0.04 0.00 -1.06 0.00 0.00 38.32 37.47 1qyr h ASN 251 CO 0.00 0.06 0.27 -0.63 -1.06 0.00 0.00 177.43 176.07 1qyr s ILE 252 N -3.21 4.93 0.81 2.81 -1.09 -1.00 -4.82 121.20 119.63 1qyr s ILE 252 Ca 0.05 1.79 -0.11 0.00 -2.23 0.00 0.00 60.65 60.16 1qyr s ILE 252 Cb 0.11 -4.20 0.08 0.00 -1.58 0.00 0.00 42.46 36.87 1qyr s ILE 252 CO 0.71 0.18 1.09 -0.94 -1.23 0.00 0.00 174.94 174.75 1qyr s SER 253 N 0.94 4.25 0.14 3.58 1.04 -1.26 -4.85 113.70 117.55 1qyr s SER 253 Ca 0.45 1.65 -0.18 0.00 0.48 0.00 0.00 55.95 58.35 1qyr s SER 253 Cb -0.19 -2.36 0.03 0.00 0.10 0.00 0.00 66.02 63.60 1qyr s SER 253 CO 0.23 -2.17 1.72 0.58 0.98 0.00 0.00 173.24 174.58 1qyr h VAL 254 N -1.22 0.83 -0.56 5.02 2.07 -1.96 -1.84 116.25 118.58 1qyr h VAL 254 Ca -0.46 -0.04 0.11 0.00 0.82 0.00 0.00 66.70 67.13 1qyr h VAL 254 Cb 1.25 0.69 -0.10 0.00 -1.52 0.00 0.00 31.29 31.61 1qyr h VAL 254 CO 0.54 0.02 -0.02 0.00 0.02 0.00 0.00 177.57 178.13 1qyr h ALA 255 N 1.23 0.51 -0.64 1.67 0.00 -1.97 -1.38 119.26 118.68 1qyr h ALA 255 Ca 0.14 0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 1qyr h ALA 255 Cb 0.16 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1qyr h ALA 255 CO -0.20 -0.40 0.18 1.96 0.00 0.00 0.00 179.25 180.79 1qyr h GLN 256 N 0.10 0.97 -0.94 0.00 4.20 -1.87 0.04 115.11 117.61 1qyr h GLN 256 Ca 0.29 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 1qyr h GLN 256 Cb 0.45 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 28.04 1qyr h GLN 256 CO -0.49 0.85 0.58 1.88 -0.67 0.00 0.00 178.83 180.97 1qyr h TYR 257 N 0.94 1.23 -0.25 2.96 0.05 -0.55 -0.72 116.97 120.63 1qyr h TYR 257 Ca 0.21 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.83 1qyr h TYR 257 Cb 0.29 -0.41 -0.00 0.00 1.01 0.00 0.00 36.73 37.62 1qyr h TYR 257 CO 0.02 0.81 -0.50 0.00 -1.05 0.00 0.00 178.16 177.44 1qyr h GLN 259 N 0.55 0.92 -0.29 0.00 4.15 -0.60 -1.17 115.11 118.68 1qyr h GLN 259 Ca 0.02 -0.08 -0.13 0.00 0.77 0.00 0.00 58.65 59.23 1qyr h GLN 259 Cb 1.06 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.55 1qyr h GLN 259 CO 0.10 0.65 -0.34 0.52 -1.93 0.00 0.00 178.83 177.84 1qyr h MET 260 N 0.93 0.63 -0.36 1.69 2.86 -0.85 -1.39 114.93 118.45 1qyr h MET 260 Ca 0.24 -0.29 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 1qyr h MET 260 Cb -0.02 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 1qyr h MET 260 CO -0.04 0.88 -0.04 0.00 1.06 0.00 0.00 176.91 178.77 1qyr h ALA 261 N 1.09 0.48 -0.33 6.32 0.00 -0.90 -1.81 119.26 124.13 1qyr h ALA 261 Ca 0.06 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1qyr h ALA 261 Cb 0.84 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1qyr h ALA 261 CO 0.07 0.29 -0.04 -0.91 0.00 0.00 0.00 179.25 178.66 1qyr h ASN 262 N 0.46 0.60 -0.02 0.00 2.35 -1.21 -1.83 115.58 115.92 1qyr h ASN 262 Ca 0.10 -0.34 0.03 0.00 -0.55 0.00 0.00 56.30 55.54 1qyr h ASN 262 Cb 0.52 -0.16 -0.05 0.00 0.05 0.00 0.00 38.32 38.68 1qyr h ASN 262 CO 0.03 0.79 -0.25 0.22 -1.65 0.00 0.00 177.43 176.56 1qyr h TYR 263 N 0.39 -0.68 0.00 1.19 5.03 -1.22 0.31 116.97 122.00 1qyr h TYR 263 Ca 0.09 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.42 1qyr h TYR 263 Cb 0.51 0.31 -0.00 0.00 1.55 0.00 0.00 36.73 39.09 1qyr h TYR 263 CO 0.04 -0.34 -0.01 1.25 -1.32 0.00 0.00 178.16 177.78 1qyr h LEU 264 N -0.38 0.00 0.13 2.82 5.85 -1.25 -0.21 115.31 122.27 1qyr h LEU 264 Ca 0.07 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.59 1qyr h LEU 264 Cb 0.48 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.52 1qyr h LEU 264 CO -0.24 0.01 -0.90 0.00 -0.34 0.00 0.00 178.44 176.97 1qyr h ALA 265 N 1.99 -0.04 0.00 1.25 0.00 -0.63 -1.74 119.26 120.09 1qyr h ALA 265 Ca -0.00 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1qyr h ALA 265 Cb 0.02 0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1qyr h ALA 265 CO 0.00 0.45 0.00 0.39 0.00 0.00 0.00 179.25 180.09 1qyr n GLU 266 N -4.11 0.21 0.00 0.00 1.02 0.10 -4.00 120.64 113.86 1qyr n GLU 266 Ca -0.16 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1qyr n GLU 266 Cb 0.82 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 1qyr n GLU 266 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1qyr n ASN 267 N -1.33 0.05 0.00 1.62 3.02 -0.14 -5.05 115.26 113.43 1qyr n ASN 267 Ca 0.08 -0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 1qyr n ASN 267 Cb 0.16 0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 1qyr n ASN 267 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64