#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yqr s SER 2 N 0.00 2.70 -0.25 1.61 0.15 -1.26 -5.13 113.70 111.52 2yqr s SER 2 Ca 0.00 -0.81 -0.03 0.00 0.70 0.00 0.00 55.95 55.80 2yqr s SER 2 Cb 0.00 -0.16 0.08 0.00 -1.71 0.00 0.00 66.02 64.23 2yqr s SER 2 CO 0.00 0.00 0.10 -0.55 1.20 0.00 0.00 173.24 173.99 2yqr s SER 3 N -2.45 3.27 1.35 5.45 0.15 -1.26 -5.14 113.70 115.07 2yqr s SER 3 Ca 0.13 -1.13 -0.20 0.00 0.70 0.00 0.00 55.95 55.46 2yqr s SER 3 Cb -0.07 -0.48 0.31 0.00 -1.71 0.00 0.00 66.02 64.06 2yqr s SER 3 CO 0.06 -0.39 0.81 0.61 1.20 0.00 0.00 173.24 175.53 2yqr n GLY 4 N 5.13 -3.54 2.79 9.45 0.00 -1.26 -5.06 105.19 112.70 2yqr n GLY 4 Ca -0.06 -1.35 -0.17 0.00 0.00 0.00 0.00 46.02 44.44 2yqr n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yqr s SER 5 N -3.30 1.19 -0.02 1.61 0.15 -1.26 -5.14 113.70 106.93 2yqr s SER 5 Ca 0.59 -0.08 0.02 0.00 0.70 0.00 0.00 55.95 57.17 2yqr s SER 5 Cb -0.09 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 2yqr s SER 5 CO 0.48 -0.31 -0.07 -0.44 1.20 0.00 0.00 173.24 174.09 2yqr s SER 6 N 2.34 1.01 -0.43 5.45 0.01 -1.26 -5.07 113.70 115.75 2yqr s SER 6 Ca 0.06 -0.15 0.03 0.00 1.31 0.00 0.00 55.95 57.20 2yqr s SER 6 Cb -0.15 -0.26 0.26 0.00 0.21 0.00 0.00 66.02 66.08 2yqr s SER 6 CO -0.11 0.05 1.05 0.61 0.41 0.00 0.00 173.24 175.24 2yqr n GLY 7 N 3.29 -0.56 3.64 3.44 0.00 -1.26 -5.15 105.19 108.61 2yqr n GLY 7 Ca -0.18 0.44 -0.05 0.00 0.00 0.00 0.00 46.02 46.23 2yqr n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2yqr s GLY 8 N -1.14 0.20 0.17 -0.02 0.00 -1.26 -5.19 107.32 100.08 2yqr s GLY 8 Ca 0.29 3.25 -0.23 0.00 0.00 0.00 0.00 44.72 48.03 2yqr s GLY 8 CO -0.18 1.89 0.68 1.06 0.00 0.00 0.00 173.10 176.56 2yqr s MET 9 N 0.06 1.34 -0.01 2.90 1.00 -1.26 -5.17 119.30 118.16 2yqr s MET 9 Ca 0.06 -0.58 0.02 0.00 0.00 0.00 0.00 55.69 55.18 2yqr s MET 9 Cb -0.05 0.56 0.00 0.00 0.00 0.00 0.00 34.83 35.34 2yqr s MET 9 CO -0.13 -0.60 -0.05 -1.01 0.00 0.00 0.00 175.02 173.24 2yqr s HIS 10 N -3.69 0.50 0.29 -0.03 0.09 -1.26 -5.15 115.29 106.04 2yqr s HIS 10 Ca 0.04 -0.10 -0.04 0.00 -0.00 0.00 0.00 55.06 54.97 2yqr s HIS 10 Cb -0.02 -0.36 -0.05 0.00 -0.00 0.00 0.00 32.58 32.15 2yqr s HIS 10 CO -0.07 -0.03 0.54 0.71 -0.00 0.00 0.00 174.74 175.89 2yqr s TYR 11 N 0.05 3.48 -0.04 1.40 1.51 -1.26 -4.64 117.35 117.85 2yqr s TYR 11 Ca -0.00 0.59 0.05 0.00 -1.01 0.00 0.00 57.07 56.70 2yqr s TYR 11 Cb -0.04 -2.07 -0.01 0.00 -0.11 0.00 0.00 41.96 39.73 2yqr s TYR 11 CO -0.00 0.18 -0.19 0.14 -1.11 0.00 0.00 175.55 174.56 2yqr s VAL 12 N -2.10 1.59 0.21 0.71 -7.23 0.35 -5.00 120.40 108.93 2yqr s VAL 12 Ca 0.43 -0.82 0.08 0.00 -1.81 0.00 0.00 61.98 59.87 2yqr s VAL 12 Cb -0.11 -1.35 -0.05 0.00 0.56 0.00 0.00 36.38 35.44 2yqr s VAL 12 CO 0.31 0.45 -0.16 0.00 -0.31 0.00 0.00 175.10 175.39 2yqr s GLN 13 N -0.12 1.37 0.24 4.82 -2.07 -1.26 -1.41 119.66 121.23 2yqr s GLN 13 Ca -0.01 -1.59 0.02 0.00 -1.82 0.00 0.00 55.36 51.95 2yqr s GLN 13 Cb -0.11 -1.23 -0.05 0.00 -1.09 0.00 0.00 33.01 30.53 2yqr s GLN 13 CO 0.02 0.21 0.06 0.34 -1.32 0.00 0.00 175.29 174.60 2yqr s ASP 14 N -3.27 1.32 -0.20 12.60 -1.08 -0.78 -4.97 116.67 120.28 2yqr s ASP 14 Ca 0.23 -1.32 -0.04 0.00 -0.52 0.00 0.00 52.55 50.90 2yqr s ASP 14 Cb -0.02 0.12 0.10 0.00 -1.46 0.00 0.00 42.92 41.67 2yqr s ASP 14 CO 0.08 -0.66 0.29 -0.54 0.52 0.00 0.00 175.17 174.85 2yqr s LYS 15 N -3.98 0.24 -0.33 4.34 1.02 -1.26 -2.88 119.74 116.89 2yqr s LYS 15 Ca 0.33 0.44 -0.02 0.00 0.02 0.00 0.00 55.97 56.74 2yqr s LYS 15 Cb 0.07 -0.71 0.07 0.00 -0.52 0.00 0.00 37.83 36.74 2yqr s LYS 15 CO 0.11 -0.57 0.06 -0.51 -0.92 0.00 0.00 175.35 173.52 2yqr s LEU 16 N 2.43 4.30 -0.11 3.17 1.02 -0.24 -4.94 118.68 124.30 2yqr s LEU 16 Ca 0.08 -1.49 -0.30 0.00 0.02 0.00 0.00 54.13 52.44 2yqr s LEU 16 Cb -0.15 -1.75 -0.02 0.00 0.02 0.00 0.00 46.19 44.30 2yqr s LEU 16 CO -0.13 -0.34 1.16 -0.36 0.02 0.00 0.00 176.35 176.70 2yqr s PHE 17 N 1.22 3.20 0.18 0.29 0.40 -1.26 -0.37 117.98 121.64 2yqr s PHE 17 Ca -0.01 1.27 0.21 0.00 -0.60 0.00 0.00 56.93 57.81 2yqr s PHE 17 Cb -0.20 -3.38 0.84 0.00 0.51 0.00 0.00 43.02 40.79 2yqr s PHE 17 CO -0.02 -1.09 1.80 -0.39 0.70 0.00 0.00 175.22 176.22 2yqr h VAL 18 N 5.17 0.73 -6.09 -0.44 -1.51 -1.94 -3.48 116.25 108.70 2yqr h VAL 18 Ca -0.30 -1.27 -0.42 0.00 -1.23 0.00 0.00 66.70 63.48 2yqr h VAL 18 Cb 1.14 1.81 0.06 0.00 -2.13 0.00 0.00 31.29 32.16 2yqr h VAL 18 CO 0.90 0.29 -0.84 0.61 -1.23 0.00 0.00 177.57 177.30 2yqr n GLY 19 N 0.11 -0.33 0.86 5.19 0.00 -1.26 -4.90 105.19 104.85 2yqr n GLY 19 Ca -0.00 0.15 0.04 0.00 0.00 0.00 0.00 46.02 46.21 2yqr n GLY 19 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2yqr n LEU 20 N -4.24 1.26 0.25 0.99 7.94 -1.26 -4.81 117.00 117.12 2yqr n LEU 20 Ca -0.29 -2.26 0.10 0.00 -1.11 0.00 0.00 56.01 52.45 2yqr n LEU 20 Cb 0.67 -0.16 0.64 0.00 0.53 0.00 0.00 43.42 45.10 2yqr n LEU 20 CO 0.68 0.64 0.93 1.05 -1.11 0.00 0.00 177.39 179.58 2yqr h GLU 21 N 0.60 0.00 0.00 1.96 4.11 -1.95 -1.93 114.58 117.37 2yqr h GLU 21 Ca -0.09 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.24 2yqr h GLU 21 Cb 1.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.70 2yqr h GLU 21 CO 0.04 0.16 -0.47 1.12 0.07 0.00 0.00 179.01 179.93 2yqr h HIS 22 N 0.00 0.00 -2.51 2.06 2.07 -2.01 -3.46 115.15 111.30 2yqr h HIS 22 Ca -0.00 0.00 -0.60 0.00 -2.85 0.00 0.00 60.37 56.91 2yqr h HIS 22 Cb 0.38 0.00 0.09 0.00 2.57 0.00 0.00 27.41 30.46 2yqr h HIS 22 CO 0.00 0.47 0.36 0.00 -3.07 0.00 0.00 177.93 175.69 2yqr n ALA 23 N -2.28 0.23 -1.11 6.11 0.00 -0.73 -4.89 120.51 117.84 2yqr n ALA 23 Ca 0.00 0.41 -0.35 0.00 0.00 0.00 0.00 53.44 53.51 2yqr n ALA 23 Cb 0.62 -2.13 0.09 0.00 0.00 0.00 0.00 19.45 18.03 2yqr n ALA 23 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2yqr n VAL 24 N 1.04 1.22 0.28 0.00 0.24 -1.26 -4.87 118.33 114.98 2yqr n VAL 24 Ca 0.11 -0.33 0.17 0.00 -2.04 0.00 0.00 64.34 62.26 2yqr n VAL 24 Cb 0.30 -0.71 0.71 0.00 -1.47 0.00 0.00 33.84 32.67 2yqr n VAL 24 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2yqr h PRO 25 N -0.77 0.00 -0.17 7.34 0.13 -1.95 -2.94 132.00 133.63 2yqr h PRO 25 Ca -0.45 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.53 2yqr h PRO 25 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.45 2yqr h PRO 25 CO 0.40 0.00 -0.54 1.79 -0.23 0.00 0.00 178.00 179.42 2yqr h THR 26 N 0.00 1.33 -0.80 1.56 1.35 -2.02 -3.13 112.91 111.20 2yqr h THR 26 Ca 0.00 -1.79 -0.03 0.00 -0.55 0.00 0.00 66.41 64.04 2yqr h THR 26 Cb 0.48 1.78 -0.04 0.00 -1.73 0.00 0.00 68.15 68.65 2yqr h THR 26 CO 0.00 0.55 0.39 0.15 -0.25 0.00 0.00 175.52 176.36 2yqr h PHE 27 N 0.39 1.15 -5.58 4.73 3.57 -1.87 -3.47 116.94 115.85 2yqr h PHE 27 Ca 0.01 -0.06 -0.28 0.00 3.53 0.00 0.00 57.97 61.18 2yqr h PHE 27 Cb 1.06 -0.36 0.18 0.00 2.79 0.00 0.00 35.95 39.62 2yqr h PHE 27 CO 0.04 0.84 -0.85 0.09 -2.23 0.00 0.00 178.31 176.19 2yqr n ASN 28 N -4.35 -6.46 -0.30 0.41 4.13 -1.19 -4.83 115.26 102.67 2yqr n ASN 28 Ca 0.07 -0.75 0.12 0.00 1.68 0.00 0.00 54.58 55.71 2yqr n ASN 28 Cb 0.14 -4.90 0.35 0.00 -1.54 0.00 0.00 39.78 33.83 2yqr n ASN 28 CO 0.00 0.00 0.00 1.62 0.28 0.00 0.00 177.26 179.16 2yqr h VAL 29 N -1.18 0.81 -0.61 2.41 3.04 -1.90 -0.92 116.25 117.89 2yqr h VAL 29 Ca -0.61 -0.25 0.08 0.00 -1.01 0.00 0.00 66.70 64.91 2yqr h VAL 29 Cb 1.31 0.01 -0.06 0.00 -2.01 0.00 0.00 31.29 30.54 2yqr h VAL 29 CO 0.44 0.13 0.28 0.50 -1.01 0.00 0.00 177.57 177.91 2yqr h LYS 30 N 0.74 0.48 0.00 4.17 3.64 -1.93 0.20 116.57 123.87 2yqr h LYS 30 Ca 0.49 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.80 2yqr h LYS 30 Cb 0.76 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.47 2yqr h LYS 30 CO -0.25 0.32 -0.16 0.93 -2.27 0.00 0.00 179.45 178.02 2yqr h GLU 31 N 0.50 0.00 0.01 1.90 4.39 -1.52 -1.92 114.58 117.93 2yqr h GLU 31 Ca 0.29 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.99 2yqr h GLU 31 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2yqr h GLU 31 CO -0.25 0.16 -0.00 0.87 -1.16 0.00 0.00 179.01 178.63 2yqr h LYS 32 N 0.00 -0.01 -0.95 2.33 1.79 -0.57 0.24 116.57 119.40 2yqr h LYS 32 Ca -0.00 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.52 2yqr h LYS 32 Cb 0.50 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.09 2yqr h LYS 32 CO 0.02 0.67 0.62 -0.24 -1.08 0.00 0.00 179.45 179.43 2yqr h VAL 33 N -0.98 1.12 0.00 0.50 3.04 -0.68 -1.52 116.25 117.72 2yqr h VAL 33 Ca -0.00 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 2yqr h VAL 33 Cb 0.68 -0.12 0.00 0.00 -2.01 0.00 0.00 31.29 29.84 2yqr h VAL 33 CO 0.00 0.21 -0.77 -1.84 -1.01 0.00 0.00 177.57 174.16 2yqr n GLU 34 N -4.47 0.26 -1.43 4.17 0.28 -0.73 -4.03 120.64 114.70 2yqr n GLU 34 Ca 0.14 0.04 0.19 0.00 -0.16 0.00 0.00 57.16 57.37 2yqr n GLU 34 Cb 0.15 -1.63 -0.05 0.00 1.43 0.00 0.00 31.44 31.33 2yqr n GLU 34 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2yqr n GLY 35 N 1.36 -2.04 3.72 -1.84 0.00 0.84 -3.10 105.19 104.13 2yqr n GLY 35 Ca 0.03 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 2yqr n GLY 35 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yqr s PRO 36 N -2.49 4.35 -1.30 1.61 0.04 -1.26 -3.00 135.00 132.95 2yqr s PRO 36 Ca 0.00 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.06 2yqr s PRO 36 Cb 0.00 -3.24 0.01 0.00 0.04 0.00 0.00 34.50 31.31 2yqr s PRO 36 CO 0.00 -0.37 0.16 0.41 0.04 0.00 0.00 177.00 177.24 2yqr n GLY 37 N 3.19 -0.50 2.42 0.56 0.00 -1.26 -0.11 105.19 109.49 2yqr n GLY 37 Ca 0.10 0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.98 2yqr n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yqr h SER 39 N 0.00 -0.41 0.19 0.00 0.02 -0.47 0.13 113.55 113.00 2yqr h SER 39 Ca -0.39 -0.05 0.01 0.00 -0.84 0.00 0.00 61.79 60.52 2yqr h SER 39 Cb 1.23 0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.83 2yqr h SER 39 CO 0.51 -0.21 -0.50 1.88 -1.14 0.00 0.00 176.83 177.37 2yqr h TYR 40 N -0.60 -1.43 -0.90 3.45 -1.99 -1.77 -0.63 116.97 113.10 2yqr h TYR 40 Ca -0.05 0.03 0.09 0.00 2.00 0.00 0.00 58.73 60.80 2yqr h TYR 40 Cb 0.44 0.60 -0.06 0.00 2.00 0.00 0.00 36.73 39.71 2yqr h TYR 40 CO -0.02 -0.58 0.58 -0.07 -0.00 0.00 0.00 178.16 178.06 2yqr h LEU 41 N -0.77 0.84 -0.62 3.88 4.07 -1.59 -1.74 115.31 119.39 2yqr h LEU 41 Ca -0.02 0.02 0.05 0.00 0.08 0.00 0.00 57.88 58.01 2yqr h LEU 41 Cb 0.74 -0.16 -0.05 0.00 1.08 0.00 0.00 40.66 42.28 2yqr h LEU 41 CO -0.23 0.51 0.35 1.56 -1.08 0.00 0.00 178.44 179.55 2yqr h GLN 42 N 0.94 0.64 0.18 1.13 1.08 0.14 -0.68 115.11 118.55 2yqr h GLN 42 Ca 0.41 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.57 2yqr h GLN 42 Cb 0.33 -0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 27.58 2yqr h GLN 42 CO -0.17 0.43 -0.48 1.25 -0.95 0.00 0.00 178.83 178.91 2yqr h HIS 43 N 0.66 -1.37 -0.01 2.96 2.76 -0.20 0.28 115.15 120.24 2yqr h HIS 43 Ca 0.27 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.48 2yqr h HIS 43 Cb 0.14 0.57 -0.00 0.00 1.55 0.00 0.00 27.41 29.67 2yqr h HIS 43 CO -0.08 -0.56 0.01 0.82 -1.30 0.00 0.00 177.93 176.82 2yqr h ILE 44 N -0.73 0.75 0.00 6.26 2.04 -1.48 0.28 117.51 124.64 2yqr h ILE 44 Ca -0.02 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.73 2yqr h ILE 44 Cb 0.71 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 2yqr h ILE 44 CO -0.22 0.00 -0.53 1.56 0.00 0.00 0.00 178.15 178.96 2yqr h GLN 45 N 0.00 0.00 0.00 2.37 4.20 0.28 -2.06 115.11 119.90 2yqr h GLN 45 Ca 0.00 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 2yqr h GLN 45 Cb 0.02 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 2yqr h GLN 45 CO -0.00 0.53 -1.68 -0.89 -0.67 0.00 0.00 178.83 176.12 2yqr n ILE 46 N -3.50 0.97 0.12 2.54 5.41 0.84 -0.67 119.36 125.07 2yqr n ILE 46 Ca 0.00 -0.68 0.01 0.00 1.00 0.00 0.00 62.75 63.08 2yqr n ILE 46 Cb 0.63 -0.52 -0.01 0.00 -0.71 0.00 0.00 39.64 39.03 2yqr n ILE 46 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2yqr h GLU 47 N 0.00 0.00 0.00 0.38 4.39 -0.52 -3.35 114.58 115.48 2yqr h GLU 47 Ca -0.20 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.46 2yqr h GLU 47 Cb 1.56 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.21 2yqr h GLU 47 CO 0.03 0.57 -1.32 0.25 -1.16 0.00 0.00 179.01 177.38 2yqr n THR 48 N -3.22 0.18 -1.10 1.13 -2.24 -0.78 -5.02 114.28 103.23 2yqr n THR 48 Ca 0.01 -0.18 -0.04 0.00 -2.27 0.00 0.00 64.05 61.57 2yqr n THR 48 Cb 0.78 -0.20 -0.02 0.00 -2.10 0.00 0.00 70.33 68.80 2yqr n THR 48 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yqr n GLY 49 N 2.39 0.66 3.89 3.38 0.00 0.16 -4.86 105.19 110.80 2yqr n GLY 49 Ca -0.05 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 2yqr n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yqr s ALA 50 N -2.10 3.76 -0.55 4.61 0.00 -1.20 -5.00 121.76 121.28 2yqr s ALA 50 Ca 0.00 -1.25 -0.27 0.00 0.00 0.00 0.00 51.96 50.44 2yqr s ALA 50 Cb 0.00 -1.53 0.03 0.00 0.00 0.00 0.00 23.12 21.62 2yqr s ALA 50 CO 0.00 0.35 1.08 0.15 0.00 0.00 0.00 175.76 177.33 2yqr s LYS 51 N -3.64 3.48 -0.22 0.00 1.02 -0.49 -4.52 119.74 115.37 2yqr s LYS 51 Ca 0.33 0.10 -0.05 0.00 0.02 0.00 0.00 55.97 56.38 2yqr s LYS 51 Cb -0.09 -4.01 -0.02 0.00 -0.52 0.00 0.00 37.83 33.20 2yqr s LYS 51 CO 0.27 -1.54 -0.02 0.08 -0.92 0.00 0.00 175.35 173.22 2yqr s VAL 52 N 4.45 3.66 -0.08 3.17 1.01 -1.26 -0.06 120.40 131.30 2yqr s VAL 52 Ca 0.39 -0.40 -0.06 0.00 0.00 0.00 0.00 61.98 61.91 2yqr s VAL 52 Cb -0.09 -2.67 0.03 0.00 0.00 0.00 0.00 36.38 33.65 2yqr s VAL 52 CO 0.24 0.41 0.19 0.72 0.00 0.00 0.00 175.10 176.67 2yqr s PHE 53 N 1.33 -0.22 0.21 5.22 -0.12 -0.41 -4.95 117.98 119.03 2yqr s PHE 53 Ca 0.04 0.56 -0.30 0.00 -0.05 0.00 0.00 56.93 57.18 2yqr s PHE 53 Cb -0.14 0.04 -0.09 0.00 -0.63 0.00 0.00 43.02 42.20 2yqr s PHE 53 CO -0.00 -0.14 1.24 -1.17 -0.05 0.00 0.00 175.22 175.10 2yqr s LEU 54 N 0.53 4.44 0.14 -1.99 2.96 -1.26 -1.95 118.68 121.55 2yqr s LEU 54 Ca -0.04 2.35 -0.02 0.00 -0.22 0.00 0.00 54.13 56.20 2yqr s LEU 54 Cb -0.05 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 2yqr s LEU 54 CO -0.03 -0.43 0.09 -0.60 -1.32 0.00 0.00 176.35 174.07 2yqr s ARG 55 N -0.45 0.97 0.00 1.98 3.52 -0.46 -4.89 118.95 119.62 2yqr s ARG 55 Ca 0.53 -1.41 0.00 0.00 -0.13 0.00 0.00 55.73 54.72 2yqr s ARG 55 Cb -0.35 0.26 0.00 0.00 -1.56 0.00 0.00 34.95 33.30 2yqr s ARG 55 CO 0.39 -0.29 0.00 0.41 -0.81 0.00 0.00 175.30 175.00 2yqr n GLY 56 N -0.12 0.78 3.63 8.12 0.00 -1.26 -0.37 105.19 115.97 2yqr n GLY 56 Ca -0.05 -1.99 -0.49 0.00 0.00 0.00 0.00 46.02 43.49 2yqr n GLY 56 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2yqr n LYS 57 N 1.06 1.68 0.00 1.61 3.00 0.84 -0.58 118.16 125.76 2yqr n LYS 57 Ca 0.00 0.60 0.00 0.00 -0.00 0.00 0.00 58.31 58.91 2yqr n LYS 57 Cb 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 35.03 32.72 2yqr n LYS 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2yqr n GLY 58 N 2.97 3.28 0.23 3.14 0.00 -1.26 -0.13 105.19 113.42 2yqr n GLY 58 Ca 0.18 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.21 2yqr n GLY 58 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2yqr h SER 59 N 0.00 0.22 0.00 1.61 4.64 -1.11 -3.47 113.55 115.45 2yqr h SER 59 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2yqr h SER 59 Cb 0.00 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 2yqr h SER 59 CO 0.00 0.43 0.00 0.61 -0.87 0.00 0.00 176.83 177.00 2yqr n GLY 60 N -0.74 1.59 3.21 -0.77 0.00 -1.26 -4.90 105.19 102.31 2yqr n GLY 60 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2yqr n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yqr h ILE 62 N 6.08 0.17 -4.61 0.00 1.08 -1.90 -3.35 117.51 114.97 2yqr h ILE 62 Ca -0.20 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.28 2yqr h ILE 62 Cb 1.07 0.96 -0.11 0.00 -3.07 0.00 0.00 36.82 35.67 2yqr h ILE 62 CO 0.86 0.00 -1.29 -0.62 -0.69 0.00 0.00 178.15 176.40 2yqr n GLU 63 N -3.31 -3.73 0.00 2.37 1.02 -1.26 -1.75 120.64 113.98 2yqr n GLU 63 Ca -0.03 2.90 0.07 0.00 -0.02 0.00 0.00 57.16 60.09 2yqr n GLU 63 Cb 0.12 -4.33 0.34 0.00 -0.02 0.00 0.00 31.44 27.55 2yqr n GLU 63 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2yqr n PRO 64 N 1.35 0.10 -0.15 3.49 -0.04 -1.26 -0.02 135.00 138.48 2yqr n PRO 64 Ca -0.34 0.20 -0.10 0.00 -0.04 0.00 0.00 63.50 63.22 2yqr n PRO 64 Cb 0.52 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.47 2yqr n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2yqr h ALA 65 N 2.59 0.58 0.00 0.55 0.00 -1.94 -3.39 119.26 117.64 2yqr h ALA 65 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2yqr h ALA 65 Cb 0.20 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2yqr h ALA 65 CO 0.00 0.40 -0.77 0.45 0.00 0.00 0.00 179.25 179.32 2yqr n SER 66 N -4.38 3.43 0.00 0.00 2.88 -1.16 -5.04 113.62 109.35 2yqr n SER 66 Ca -0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 2yqr n SER 66 Cb 0.32 0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 2yqr n SER 66 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yqr n GLY 67 N 2.78 1.39 3.36 0.46 0.00 0.98 -5.10 105.19 109.04 2yqr n GLY 67 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2yqr n GLY 67 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2yqr s ARG 68 N -0.13 1.60 1.03 1.61 1.70 -0.72 -4.76 118.95 119.28 2yqr s ARG 68 Ca 0.00 -1.21 -0.16 0.00 -0.47 0.00 0.00 55.73 53.90 2yqr s ARG 68 Cb 0.00 -1.91 0.06 0.00 -0.57 0.00 0.00 34.95 32.54 2yqr s ARG 68 CO 0.00 0.47 0.19 0.39 -1.08 0.00 0.00 175.30 175.27 2yqr n GLU 69 N 1.40 -0.90 -0.67 3.89 1.02 -1.17 -4.40 120.64 119.81 2yqr n GLU 69 Ca -0.17 -0.23 -0.31 0.00 -0.02 0.00 0.00 57.16 56.42 2yqr n GLU 69 Cb 0.52 -1.77 0.18 0.00 -0.02 0.00 0.00 31.44 30.35 2yqr n GLU 69 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yqr n ALA 70 N -3.97 -2.96 0.13 0.62 0.00 -1.26 -4.87 120.51 108.21 2yqr n ALA 70 Ca 0.04 -0.96 -0.24 0.00 0.00 0.00 0.00 53.44 52.28 2yqr n ALA 70 Cb 0.58 -1.80 -0.16 0.00 0.00 0.00 0.00 19.45 18.07 2yqr n ALA 70 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2yqr h PHE 71 N -2.03 0.91 -4.31 0.00 0.04 -1.96 -3.34 116.94 106.25 2yqr h PHE 71 Ca -0.51 -0.67 -0.50 0.00 2.80 0.00 0.00 57.97 59.10 2yqr h PHE 71 Cb 1.32 -0.04 0.07 0.00 2.20 0.00 0.00 35.95 39.50 2yqr h PHE 71 CO 0.30 1.56 0.38 -1.21 -0.60 0.00 0.00 178.31 178.74 2yqr s GLU 72 N -2.60 3.22 0.87 1.51 0.41 -1.26 -4.84 118.70 116.02 2yqr s GLU 72 Ca -0.10 0.53 -0.11 0.00 -0.41 0.00 0.00 54.97 54.88 2yqr s GLU 72 Cb 0.04 -2.09 0.12 0.00 -1.78 0.00 0.00 34.13 30.42 2yqr s GLU 72 CO 0.93 -0.76 1.09 -1.25 -0.49 0.00 0.00 175.26 174.78 2yqr s PRO 73 N -5.22 1.43 0.71 0.39 0.04 -1.26 -0.11 135.00 130.97 2yqr s PRO 73 Ca 0.56 0.88 -0.16 0.00 0.04 0.00 0.00 61.00 62.31 2yqr s PRO 73 Cb -0.11 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.59 2yqr s PRO 73 CO 0.52 -2.14 0.82 0.00 0.04 0.00 0.00 177.00 176.24 2yqr n MET 74 N -3.82 0.48 -3.54 4.56 0.00 0.81 -4.16 117.12 111.46 2yqr n MET 74 Ca 0.07 0.21 -0.09 0.00 0.00 0.00 0.00 57.70 57.90 2yqr n MET 74 Cb 0.55 -2.08 -0.02 0.00 0.00 0.00 0.00 33.22 31.67 2yqr n MET 74 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 175.97 177.49 2yqr s TYR 75 N -1.82 -0.37 -0.01 3.17 -0.85 0.50 -3.86 117.35 114.11 2yqr s TYR 75 Ca 0.71 0.16 -0.25 0.00 -0.52 0.00 0.00 57.07 57.17 2yqr s TYR 75 Cb -0.36 0.57 -0.04 0.00 0.38 0.00 0.00 41.96 42.51 2yqr s TYR 75 CO 0.52 -0.73 0.77 0.42 -1.52 0.00 0.00 175.55 175.02 2yqr s ILE 76 N -3.40 4.88 -0.22 -3.49 1.01 0.50 -1.35 121.20 119.13 2yqr s ILE 76 Ca 0.05 1.62 0.02 0.00 0.00 0.00 0.00 60.65 62.34 2yqr s ILE 76 Cb -0.01 -4.12 0.04 0.00 0.01 0.00 0.00 42.46 38.38 2yqr s ILE 76 CO -0.08 0.28 -0.15 -0.47 0.00 0.00 0.00 174.94 174.53 2yqr s TYR 77 N 0.47 3.03 -0.06 3.97 6.14 -0.82 -1.08 117.35 129.00 2yqr s TYR 77 Ca 0.40 -1.96 -0.03 0.00 0.64 0.00 0.00 57.07 56.12 2yqr s TYR 77 Cb -0.19 -1.94 -0.04 0.00 0.42 0.00 0.00 41.96 40.21 2yqr s TYR 77 CO 0.22 -0.84 0.08 0.42 0.64 0.00 0.00 175.55 176.07 2yqr s ILE 78 N 1.20 4.89 -0.22 3.14 1.01 -1.14 -1.29 121.20 128.79 2yqr s ILE 78 Ca -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 60.65 60.43 2yqr s ILE 78 Cb -0.17 -3.16 0.07 0.00 0.01 0.00 0.00 42.46 39.21 2yqr s ILE 78 CO -0.09 0.49 0.02 -0.94 0.00 0.00 0.00 174.94 174.43 2yqr s SER 79 N -1.33 3.28 -0.02 3.58 1.04 0.92 -1.87 113.70 119.29 2yqr s SER 79 Ca 0.19 -1.01 0.03 0.00 0.48 0.00 0.00 55.95 55.63 2yqr s SER 79 Cb -0.12 -0.76 -0.00 0.00 0.10 0.00 0.00 66.02 65.24 2yqr s SER 79 CO 0.08 -0.30 -0.10 -2.28 0.98 0.00 0.00 173.24 171.62 2yqr s HIS 80 N 1.72 1.03 -1.02 5.02 5.04 -0.50 -1.40 115.29 125.18 2yqr s HIS 80 Ca -0.01 -0.25 0.14 0.00 -1.54 0.00 0.00 55.06 53.41 2yqr s HIS 80 Cb -0.18 -0.71 0.61 0.00 0.04 0.00 0.00 32.58 32.35 2yqr s HIS 80 CO -0.10 -0.08 1.45 -0.35 -2.34 0.00 0.00 174.74 173.32 2yqr n PRO 81 N 3.16 0.01 -4.10 2.88 -0.04 -1.26 -0.49 135.00 135.15 2yqr n PRO 81 Ca -0.17 0.25 -0.12 0.00 -0.04 0.00 0.00 63.50 63.42 2yqr n PRO 81 Cb 0.55 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.40 2yqr n PRO 81 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2yqr s LYS 82 N -2.98 0.64 0.32 0.54 -0.14 -1.26 -4.49 119.74 112.37 2yqr s LYS 82 Ca 0.07 -0.97 0.11 0.00 -1.36 0.00 0.00 55.97 53.83 2yqr s LYS 82 Cb 0.09 -0.27 0.54 0.00 -1.68 0.00 0.00 37.83 36.51 2yqr s LYS 82 CO 0.26 0.03 1.72 -1.00 -0.76 0.00 0.00 175.35 175.60 2yqr h PRO 83 N 3.95 0.02 0.13 -1.68 0.13 -1.92 -2.80 132.00 129.83 2yqr h PRO 83 Ca -0.36 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2yqr h PRO 83 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.29 2yqr h PRO 83 CO 0.49 0.50 -0.33 1.49 -0.23 0.00 0.00 178.00 179.92 2yqr h GLU 84 N 0.01 -0.49 -0.53 0.86 4.81 -1.97 0.41 114.58 117.67 2yqr h GLU 84 Ca -0.00 0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.19 2yqr h GLU 84 Cb 0.87 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 2yqr h GLU 84 CO 0.06 -0.33 0.05 0.78 -0.73 0.00 0.00 179.01 178.84 2yqr h GLY 85 N -0.51 0.98 0.26 1.92 0.00 -1.89 -2.66 103.07 101.17 2yqr h GLY 85 Ca -0.01 -0.69 0.15 0.00 0.00 0.00 0.00 47.33 46.79 2yqr h GLY 85 CO -0.15 0.63 0.56 -2.00 0.00 0.00 0.00 176.54 175.59 2yqr h LEU 86 N 0.79 0.75 -0.76 3.11 7.12 -1.31 0.34 115.31 125.36 2yqr h LEU 86 Ca 0.16 0.08 -0.06 0.00 0.13 0.00 0.00 57.88 58.19 2yqr h LEU 86 Cb 0.46 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.53 2yqr h LEU 86 CO 0.02 0.33 -0.29 0.00 -0.13 0.00 0.00 178.44 178.37 2yqr h ALA 87 N 1.58 0.93 0.01 1.25 0.00 -0.74 -2.98 119.26 119.32 2yqr h ALA 87 Ca 0.52 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 2yqr h ALA 87 Cb 0.70 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2yqr h ALA 87 CO -0.34 0.36 -0.00 0.00 0.00 0.00 0.00 179.25 179.27 2yqr h ALA 88 N 1.71 -0.01 -0.98 0.00 0.00 -0.16 -3.19 119.26 116.62 2yqr h ALA 88 Ca -0.00 -0.20 0.19 0.00 0.00 0.00 0.00 54.91 54.90 2yqr h ALA 88 Cb 0.93 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.63 2yqr h ALA 88 CO 0.04 -0.01 0.61 0.00 0.00 0.00 0.00 179.25 179.89 2yqr h ALA 89 N -0.59 1.81 -0.31 0.00 0.00 -0.64 0.23 119.26 119.77 2yqr h ALA 89 Ca -0.00 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2yqr h ALA 89 Cb 0.41 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2yqr h ALA 89 CO 0.00 -0.16 -0.00 -0.22 0.00 0.00 0.00 179.25 178.87 2yqr h LYS 90 N 0.68 0.47 -0.12 0.00 3.64 -1.64 -1.37 116.57 118.23 2yqr h LYS 90 Ca 0.55 -0.10 -0.06 0.00 -1.27 0.00 0.00 60.65 59.78 2yqr h LYS 90 Cb 0.97 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.71 2yqr h LYS 90 CO -0.32 0.51 -0.14 0.87 -2.27 0.00 0.00 179.45 178.09 2yqr h LYS 91 N 0.46 0.31 -0.64 1.90 1.57 -0.56 -2.95 116.57 116.65 2yqr h LYS 91 Ca 0.10 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2yqr h LYS 91 Cb 0.31 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 2yqr h LYS 91 CO 0.01 0.73 0.34 -0.07 -0.57 0.00 0.00 179.45 179.89 2yqr h LEU 92 N -0.09 0.82 -1.45 2.94 3.38 -1.16 -2.28 115.31 117.47 2yqr h LEU 92 Ca 0.02 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 57.97 2yqr h LEU 92 Cb 0.68 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 2yqr h LEU 92 CO 0.03 0.69 0.46 0.00 0.09 0.00 0.00 178.44 179.72 2yqr h GLU 94 N 0.63 0.97 -0.19 0.00 4.39 -1.24 -1.86 114.58 117.29 2yqr h GLU 94 Ca 0.32 -0.41 -0.14 0.00 0.34 0.00 0.00 59.36 59.47 2yqr h GLU 94 Cb 0.41 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2yqr h GLU 94 CO -0.11 1.08 -0.46 -0.91 -1.16 0.00 0.00 179.01 177.45 2yqr h ASN 95 N 0.82 0.51 -0.10 1.42 2.35 -0.97 -2.84 115.58 116.76 2yqr h ASN 95 Ca 0.11 -0.24 -0.13 0.00 -0.55 0.00 0.00 56.30 55.49 2yqr h ASN 95 Cb 0.77 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 2yqr h ASN 95 CO 0.06 0.90 -0.37 0.25 -1.65 0.00 0.00 177.43 176.62 2yqr h LEU 96 N 0.38 0.65 -0.66 1.61 6.46 -0.94 -3.07 115.31 119.74 2yqr h LEU 96 Ca 0.02 -0.28 -0.07 0.00 -0.12 0.00 0.00 57.88 57.43 2yqr h LEU 96 Cb 0.96 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 40.68 2yqr h LEU 96 CO 0.08 0.96 0.13 -0.07 -0.62 0.00 0.00 178.44 178.93 2yqr h LEU 97 N 0.52 1.02 -1.73 2.25 3.38 -1.23 -2.53 115.31 116.98 2yqr h LEU 97 Ca 0.05 -0.25 0.11 0.00 0.09 0.00 0.00 57.88 57.88 2yqr h LEU 97 Cb 0.88 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.33 2yqr h LEU 97 CO 0.08 1.00 0.38 1.56 0.09 0.00 0.00 178.44 181.55 2yqr h GLN 98 N 0.99 0.29 0.40 1.13 1.08 -1.41 0.14 115.11 117.73 2yqr h GLN 98 Ca 0.20 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.37 2yqr h GLN 98 Cb 0.40 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.77 2yqr h GLN 98 CO 0.01 0.19 -0.19 1.15 -0.95 0.00 0.00 178.83 179.04 2yqr h THR 99 N 0.30 0.31 -0.21 -0.54 2.02 -1.46 -2.96 112.91 110.37 2yqr h THR 99 Ca 0.26 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.79 2yqr h THR 99 Cb 0.62 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 2yqr h THR 99 CO -0.06 0.07 0.14 1.62 0.37 0.00 0.00 175.52 177.66 2yqr h VAL 100 N -1.03 1.05 0.00 3.16 3.04 -1.32 -1.03 116.25 120.12 2yqr h VAL 100 Ca -0.05 -0.10 -0.04 0.00 -1.01 0.00 0.00 66.70 65.50 2yqr h VAL 100 Cb 0.52 0.75 -0.01 0.00 -2.01 0.00 0.00 31.29 30.54 2yqr h VAL 100 CO 0.09 0.05 -0.18 0.45 -1.01 0.00 0.00 177.57 176.97 2yqr h HIS 101 N 0.28 0.00 0.00 3.17 -0.00 -0.74 -2.01 115.15 115.85 2yqr h HIS 101 Ca 0.08 0.00 -0.15 0.00 -0.00 0.00 0.00 60.37 60.30 2yqr h HIS 101 Cb -0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.36 2yqr h HIS 101 CO 0.00 0.18 -0.71 0.00 -0.00 0.00 0.00 177.93 177.39 2yqr h ALA 102 N 1.82 0.81 -0.28 2.45 0.00 -1.01 -3.11 119.26 119.94 2yqr h ALA 102 Ca -0.00 -0.65 -0.08 0.00 0.00 0.00 0.00 54.91 54.17 2yqr h ALA 102 Cb 0.32 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2yqr h ALA 102 CO 0.02 0.89 -0.15 0.93 0.00 0.00 0.00 179.25 180.94 2yqr h GLU 103 N 0.00 0.60 -0.17 0.00 4.39 -1.28 -3.06 114.58 115.06 2yqr h GLU 103 Ca -0.01 -0.27 0.01 0.00 0.34 0.00 0.00 59.36 59.43 2yqr h GLU 103 Cb 1.27 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 2yqr h GLU 103 CO 0.09 0.85 0.08 -0.92 -1.16 0.00 0.00 179.01 177.95 2yqr h TYR 104 N 0.34 0.15 -0.44 4.33 3.20 -1.53 0.21 116.97 123.24 2yqr h TYR 104 Ca 0.06 0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.06 2yqr h TYR 104 Cb 0.68 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 2yqr h TYR 104 CO 0.06 0.09 0.37 1.03 -1.64 0.00 0.00 178.16 178.07 2yqr h SER 105 N 0.18 0.00 0.60 -2.11 0.87 -1.55 0.28 113.55 111.83 2yqr h SER 105 Ca 0.07 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.42 2yqr h SER 105 Cb 0.01 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.94 2yqr h SER 105 CO -0.05 0.00 -1.54 0.54 -0.53 0.00 0.00 176.83 175.25 2yqr n ARG 106 N -4.09 0.63 0.08 2.24 1.74 -0.63 -2.45 116.66 114.18 2yqr n ARG 106 Ca 0.08 0.23 -0.11 0.00 -0.77 0.00 0.00 57.85 57.28 2yqr n ARG 106 Cb 0.56 -1.79 -0.05 0.00 -1.02 0.00 0.00 32.46 30.17 2yqr n ARG 106 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2yqr h PHE 107 N 0.00 0.37 0.00 -1.55 3.04 0.20 -3.28 116.94 115.71 2yqr h PHE 107 Ca -0.21 -0.22 -0.15 0.00 3.98 0.00 0.00 57.97 61.37 2yqr h PHE 107 Cb 1.72 -0.03 -0.03 0.00 2.56 0.00 0.00 35.95 40.17 2yqr h PHE 107 CO 0.00 1.07 -1.29 -0.24 -2.02 0.00 0.00 178.31 175.82 2yqr h VAL 108 N 0.12 0.51 -0.79 1.41 3.04 -0.72 -3.34 116.25 116.47 2yqr h VAL 108 Ca -0.06 -1.97 0.11 0.00 -1.01 0.00 0.00 66.70 63.76 2yqr h VAL 108 Cb 1.63 2.05 -0.08 0.00 -2.01 0.00 0.00 31.29 32.88 2yqr h VAL 108 CO 0.15 0.29 0.42 0.78 -1.01 0.00 0.00 177.57 178.20 2yqr h ASN 109 N 0.00 0.55 -0.25 3.17 4.21 -1.54 -1.01 115.58 120.71 2yqr h ASN 109 Ca -0.14 0.07 -0.17 0.00 1.21 0.00 0.00 56.30 57.27 2yqr h ASN 109 Cb 1.54 -0.03 -0.00 0.00 -1.12 0.00 0.00 38.32 38.70 2yqr h ASN 109 CO 0.05 0.29 -0.49 0.06 -1.29 0.00 0.00 177.43 176.04 2yqr h GLN 110 N 0.67 0.83 -0.26 0.81 3.07 -1.71 -3.04 115.11 115.47 2yqr h GLN 110 Ca 0.40 -0.49 -0.00 0.00 0.09 0.00 0.00 58.65 58.65 2yqr h GLN 110 Cb 0.46 0.04 -0.01 0.00 0.08 0.00 0.00 27.48 28.05 2yqr h GLN 110 CO -0.29 1.12 0.16 0.82 0.09 0.00 0.00 178.83 180.73 2yqr h ILE 111 N 0.65 1.08 -3.38 1.86 2.04 -1.39 -3.37 117.51 115.00 2yqr h ILE 111 Ca 0.03 -0.17 -0.73 0.00 1.00 0.00 0.00 64.86 64.99 2yqr h ILE 111 Cb 1.08 0.71 -0.25 0.00 -0.74 0.00 0.00 36.82 37.61 2yqr h ILE 111 CO 0.11 0.08 -0.40 0.21 0.00 0.00 0.00 178.15 178.15 2yqr s ASN 112 N -6.82 5.92 0.11 1.72 3.84 -0.49 -5.07 114.94 114.15 2yqr s ASN 112 Ca -0.07 -1.37 -0.01 0.00 0.21 0.00 0.00 52.86 51.62 2yqr s ASN 112 Cb 0.17 -2.10 -0.04 0.00 -0.55 0.00 0.00 41.25 38.73 2yqr s ASN 112 CO 0.71 -0.58 0.29 0.28 -2.79 0.00 0.00 177.10 175.01 2yqr s THR 113 N 1.55 5.29 -0.97 -5.21 -1.32 -1.26 -4.85 115.64 108.88 2yqr s THR 113 Ca 0.04 -0.30 -0.10 0.00 -1.21 0.00 0.00 61.69 60.12 2yqr s THR 113 Cb -0.23 -3.65 0.25 0.00 -1.51 0.00 0.00 72.50 67.35 2yqr s THR 113 CO 0.05 0.04 0.93 0.00 -2.21 0.00 0.00 174.62 173.43 2yqr s ALA 114 N -1.63 4.41 -0.38 11.08 0.00 -1.26 -4.99 121.76 128.99 2yqr s ALA 114 Ca 0.37 -3.63 -0.02 0.00 0.00 0.00 0.00 51.96 48.69 2yqr s ALA 114 Cb -0.12 -3.47 0.10 0.00 0.00 0.00 0.00 23.12 19.63 2yqr s ALA 114 CO 0.27 -2.22 0.16 0.08 0.00 0.00 0.00 175.76 174.04 2yqr s VAL 115 N -0.68 3.14 0.52 0.00 1.01 -1.26 -5.10 120.40 118.04 2yqr s VAL 115 Ca 0.25 -1.98 -0.20 0.00 0.00 0.00 0.00 61.98 60.05 2yqr s VAL 115 Cb -0.10 -3.12 -0.06 0.00 0.00 0.00 0.00 36.38 33.10 2yqr s VAL 115 CO -0.09 -0.59 1.14 -2.16 0.00 0.00 0.00 175.10 173.40 2yqr s PRO 116 N 1.13 3.46 0.20 2.72 0.04 -1.26 -5.06 135.00 136.23 2yqr s PRO 116 Ca 0.06 1.66 0.09 0.00 0.04 0.00 0.00 61.00 62.85 2yqr s PRO 116 Cb -0.22 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 2yqr s PRO 116 CO -0.04 -0.78 -0.07 -0.48 0.04 0.00 0.00 177.00 175.68 2yqr s LEU 117 N -3.60 3.06 -0.15 -3.56 2.34 -1.26 -5.09 118.68 110.42 2yqr s LEU 117 Ca 0.70 -0.57 -0.29 0.00 0.06 0.00 0.00 54.13 54.03 2yqr s LEU 117 Cb -0.25 -1.71 -0.03 0.00 -0.56 0.00 0.00 46.19 43.64 2yqr s LEU 117 CO 0.29 0.08 1.56 -2.16 -1.06 0.00 0.00 176.35 175.06 2yqr s PRO 118 N -3.00 4.03 0.00 1.48 0.04 -1.26 -5.36 135.00 130.93 2yqr s PRO 118 Ca 0.26 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.17 2yqr s PRO 118 Cb -0.08 -3.96 0.00 0.00 0.04 0.00 0.00 34.50 30.49 2yqr s PRO 118 CO 0.17 -1.01 0.00 0.41 0.04 0.00 0.00 177.00 176.61