#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 5.05 -0.30 1.61 0.15 -1.26 -4.98 113.70 113.97 2yqr s SER 2 Ca 0.00 -2.39 -0.11 0.00 0.70 0.00 0.00 55.95 54.15 2yqr s SER 2 Cb 0.00 -1.78 0.19 0.00 -1.71 0.00 0.00 66.02 62.72 2yqr s SER 2 CO 0.00 -0.43 1.05 -0.94 1.20 0.00 0.00 173.24 174.12 2yqr s SER 3 N 1.10 -0.41 -0.09 5.45 1.04 -1.26 -5.13 113.70 114.40 2yqr s SER 3 Ca 0.12 0.04 -0.29 0.00 0.48 0.00 0.00 55.95 56.30 2yqr s SER 3 Cb -0.22 1.24 -0.06 0.00 0.10 0.00 0.00 66.02 67.09 2yqr s SER 3 CO -0.04 -0.07 1.76 -0.83 0.98 0.00 0.00 173.24 175.03 2yqr s GLY 4 N 2.93 1.36 0.15 7.32 0.00 -1.26 -4.99 107.32 112.82 2yqr s GLY 4 Ca 0.28 0.90 0.06 0.00 0.00 0.00 0.00 44.72 45.96 2yqr s GLY 4 CO -0.23 3.19 0.01 -0.45 0.00 0.00 0.00 173.10 175.62 2yqr s SER 5 N 4.20 4.91 -0.26 1.64 0.15 -1.26 -5.11 113.70 117.97 2yqr s SER 5 Ca 0.78 -0.31 -0.02 0.00 0.70 0.00 0.00 55.95 57.11 2yqr s SER 5 Cb -0.33 -1.11 0.03 0.00 -1.71 0.00 0.00 66.02 62.90 2yqr s SER 5 CO 0.32 0.11 -0.03 -0.94 1.20 0.00 0.00 173.24 173.90 2yqr s SER 6 N -2.77 4.51 -0.08 5.45 1.04 -1.26 -5.07 113.70 115.52 2yqr s SER 6 Ca 0.27 -0.93 -0.32 0.00 0.48 0.00 0.00 55.95 55.45 2yqr s SER 6 Cb -0.10 -1.70 0.13 0.00 0.10 0.00 0.00 66.02 64.45 2yqr s SER 6 CO 0.19 -0.16 1.30 -0.83 0.98 0.00 0.00 173.24 174.72 2yqr s GLY 7 N 1.33 -0.39 -0.29 7.32 0.00 -1.26 -5.17 107.32 108.86 2yqr s GLY 7 Ca -0.01 0.99 -0.17 0.00 0.00 0.00 0.00 44.72 45.53 2yqr s GLY 7 CO -0.03 0.24 0.92 -0.32 0.00 0.00 0.00 173.10 173.91 2yqr s GLY 8 N -2.76 -0.16 -0.28 0.20 0.00 -1.26 -5.14 107.32 97.92 2yqr s GLY 8 Ca 0.13 2.91 0.02 0.00 0.00 0.00 0.00 44.72 47.79 2yqr s GLY 8 CO -0.04 2.44 -0.07 1.06 0.00 0.00 0.00 173.10 176.49 2yqr s MET 9 N 1.25 2.20 0.30 2.90 1.00 -1.26 -5.11 119.30 120.57 2yqr s MET 9 Ca -0.08 -1.40 -0.20 0.00 0.00 0.00 0.00 55.69 54.02 2yqr s MET 9 Cb -0.04 -2.99 -0.09 0.00 0.00 0.00 0.00 34.83 31.70 2yqr s MET 9 CO -0.15 -0.63 0.81 -1.01 0.00 0.00 0.00 175.02 174.04 2yqr s HIS 10 N 1.11 3.55 0.30 -0.03 0.09 -1.26 -5.07 115.29 113.98 2yqr s HIS 10 Ca -0.06 1.47 -0.04 0.00 -0.00 0.00 0.00 55.06 56.42 2yqr s HIS 10 Cb -0.20 -2.70 -0.05 0.00 -0.00 0.00 0.00 32.58 29.63 2yqr s HIS 10 CO -0.04 0.19 0.57 0.71 -0.00 0.00 0.00 174.74 176.16 2yqr s TYR 11 N -1.74 3.48 -0.04 1.40 1.51 -1.26 -4.63 117.35 116.06 2yqr s TYR 11 Ca 0.50 0.63 0.05 0.00 -1.01 0.00 0.00 57.07 57.23 2yqr s TYR 11 Cb -0.14 -2.10 -0.01 0.00 -0.11 0.00 0.00 41.96 39.60 2yqr s TYR 11 CO 0.20 0.15 -0.19 0.14 -1.11 0.00 0.00 175.55 174.73 2yqr s VAL 12 N -2.14 1.58 0.19 0.71 -7.23 0.39 -5.00 120.40 108.90 2yqr s VAL 12 Ca 0.44 -0.81 0.08 0.00 -1.81 0.00 0.00 61.98 59.88 2yqr s VAL 12 Cb -0.11 -1.34 -0.04 0.00 0.56 0.00 0.00 36.38 35.45 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 1.33 0.27 4.82 -2.07 -1.26 -1.41 119.66 121.21 2yqr s GLN 13 Ca -0.01 -1.53 0.03 0.00 -1.82 0.00 0.00 55.36 52.03 2yqr s GLN 13 Cb -0.11 -1.23 -0.06 0.00 -1.09 0.00 0.00 33.01 30.52 2yqr s GLN 13 CO 0.02 0.22 0.04 0.34 -1.32 0.00 0.00 175.29 174.59 2yqr s ASP 14 N -3.08 1.89 -0.20 12.60 -1.08 -0.77 -4.97 116.67 121.05 2yqr s ASP 14 Ca 0.20 -1.31 -0.04 0.00 -0.52 0.00 0.00 52.55 50.89 2yqr s ASP 14 Cb -0.03 0.01 0.10 0.00 -1.46 0.00 0.00 42.92 41.54 2yqr s ASP 14 CO 0.07 -0.59 0.28 -0.54 0.52 0.00 0.00 175.17 174.91 2yqr s LYS 15 N -3.91 0.23 -0.31 4.34 1.02 -1.26 -2.97 119.74 116.89 2yqr s LYS 15 Ca 0.33 0.42 -0.01 0.00 0.02 0.00 0.00 55.97 56.74 2yqr s LYS 15 Cb 0.07 -0.74 0.06 0.00 -0.52 0.00 0.00 37.83 36.71 2yqr s LYS 15 CO 0.12 -0.57 0.01 -0.51 -0.92 0.00 0.00 175.35 173.48 2yqr s LEU 16 N 2.41 4.04 -0.03 3.17 1.02 -0.31 -4.94 118.68 124.04 2yqr s LEU 16 Ca 0.07 -1.42 -0.30 0.00 0.02 0.00 0.00 54.13 52.50 2yqr s LEU 16 Cb -0.15 -1.70 -0.03 0.00 0.02 0.00 0.00 46.19 44.33 2yqr s LEU 16 CO -0.12 -0.29 1.07 -0.36 0.02 0.00 0.00 176.35 176.67 2yqr s PHE 17 N 1.20 3.49 0.14 0.29 0.40 -1.26 -0.14 117.98 122.10 2yqr s PHE 17 Ca -0.03 1.51 0.10 0.00 -0.60 0.00 0.00 56.93 57.91 2yqr s PHE 17 Cb -0.20 -3.25 0.10 0.00 0.51 0.00 0.00 43.02 40.18 2yqr s PHE 17 CO -0.02 -0.55 1.45 -0.39 0.70 0.00 0.00 175.22 176.41 2yqr h VAL 18 N 4.86 1.44 -5.80 -0.44 -1.51 -1.95 -3.49 116.25 109.36 2yqr h VAL 18 Ca -0.37 -2.66 -0.34 0.00 -1.23 0.00 0.00 66.70 62.10 2yqr h VAL 18 Cb 1.19 2.47 0.14 0.00 -2.13 0.00 0.00 31.29 32.96 2yqr h VAL 18 CO 0.81 0.74 -0.87 0.61 -1.23 0.00 0.00 177.57 177.63 2yqr n GLY 19 N 0.86 -0.89 1.13 5.19 0.00 -1.26 -4.93 105.19 105.29 2yqr n GLY 19 Ca -0.00 0.42 0.03 0.00 0.00 0.00 0.00 46.02 46.47 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 -3.77 0.80 0.24 0.99 7.94 -1.26 -4.85 117.00 117.09 2yqr n LEU 20 Ca -0.14 -1.80 0.09 0.00 -1.11 0.00 0.00 56.01 53.06 2yqr n LEU 20 Cb 0.63 -0.03 0.62 0.00 0.53 0.00 0.00 43.42 45.17 2yqr n LEU 20 CO 0.63 0.47 0.93 1.05 -1.11 0.00 0.00 177.39 179.36 2yqr h GLU 21 N 0.68 0.00 0.00 1.96 4.11 -1.96 -1.86 114.58 117.51 2yqr h GLU 21 Ca -0.15 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.19 2yqr h GLU 21 Cb 1.69 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.93 2yqr h GLU 21 CO 0.06 0.16 -0.44 1.12 0.07 0.00 0.00 179.01 179.99 2yqr h HIS 22 N 0.00 0.00 -2.88 2.06 2.07 -2.02 -3.46 115.15 110.92 2yqr h HIS 22 Ca -0.00 0.00 -0.59 0.00 -2.85 0.00 0.00 60.37 56.93 2yqr h HIS 22 Cb 0.36 0.00 0.12 0.00 2.57 0.00 0.00 27.41 30.46 2yqr h HIS 22 CO 0.00 0.44 0.22 0.00 -3.07 0.00 0.00 177.93 175.52 2yqr n ALA 23 N -2.28 0.27 -1.17 6.11 0.00 -0.70 -4.90 120.51 117.83 2yqr n ALA 23 Ca 0.00 0.32 -0.35 0.00 0.00 0.00 0.00 53.44 53.41 2yqr n ALA 23 Cb 0.58 -2.09 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 -0.03 1.67 0.21 0.00 0.24 -1.26 -4.89 118.33 114.27 2yqr n VAL 24 Ca 0.08 -0.33 0.07 0.00 -2.04 0.00 0.00 64.34 62.12 2yqr n VAL 24 Cb 0.36 -0.84 0.43 0.00 -1.47 0.00 0.00 33.84 32.32 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 -0.64 0.00 -0.35 7.34 0.13 -1.95 -3.00 132.00 133.53 2yqr h PRO 25 Ca -0.46 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.59 2yqr h PRO 25 Cb 1.33 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 2yqr h PRO 25 CO 0.42 0.31 -0.15 1.79 -0.23 0.00 0.00 178.00 180.14 2yqr h THR 26 N 0.00 1.25 -0.74 1.56 1.35 -2.02 -2.94 112.91 111.37 2yqr h THR 26 Ca -0.00 -1.16 -0.00 0.00 -0.55 0.00 0.00 66.41 64.70 2yqr h THR 26 Cb 0.72 1.15 -0.04 0.00 -1.73 0.00 0.00 68.15 68.26 2yqr h THR 26 CO 0.04 0.38 0.45 0.15 -0.25 0.00 0.00 175.52 176.29 2yqr h PHE 27 N 0.57 0.96 -5.49 4.73 3.57 -1.89 -3.47 116.94 115.92 2yqr h PHE 27 Ca 0.10 0.00 -0.22 0.00 3.53 0.00 0.00 57.97 61.38 2yqr h PHE 27 Cb 0.59 -0.32 0.16 0.00 2.79 0.00 0.00 35.95 39.17 2yqr h PHE 27 CO 0.02 0.64 -0.72 0.09 -2.23 0.00 0.00 178.31 176.12 2yqr n ASN 28 N -4.53 -6.78 -0.15 0.41 4.13 -1.11 -4.82 115.26 102.42 2yqr n ASN 28 Ca 0.07 -0.62 0.22 0.00 1.68 0.00 0.00 54.58 55.93 2yqr n ASN 28 Cb 0.05 -5.11 0.62 0.00 -1.54 0.00 0.00 39.78 33.80 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 -0.85 0.67 -0.41 2.41 3.04 -1.89 -0.38 116.25 118.84 2yqr h VAL 29 Ca -0.51 -0.06 -0.00 0.00 -1.01 0.00 0.00 66.70 65.12 2yqr h VAL 29 Cb 1.26 0.48 -0.02 0.00 -2.01 0.00 0.00 31.29 31.00 2yqr h VAL 29 CO 0.42 0.03 0.25 0.50 -1.01 0.00 0.00 177.57 177.77 2yqr h LYS 30 N 0.18 0.55 0.00 4.17 3.64 -1.94 -0.02 116.57 123.16 2yqr h LYS 30 Ca 0.39 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.70 2yqr h LYS 30 Cb 1.25 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2yqr h LYS 30 CO -0.07 0.40 -0.11 0.93 -2.27 0.00 0.00 179.45 178.33 2yqr h GLU 31 N 0.55 0.00 0.02 1.90 4.39 -1.41 -1.75 114.58 118.28 2yqr h GLU 31 Ca 0.15 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.85 2yqr h GLU 31 Cb -0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2yqr h GLU 31 CO -0.03 0.11 -0.01 0.87 -1.16 0.00 0.00 179.01 178.79 2yqr h LYS 32 N 0.00 -0.02 -0.97 2.33 1.79 -1.03 0.24 116.57 118.91 2yqr h LYS 32 Ca -0.00 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.53 2yqr h LYS 32 Cb 0.38 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 30.98 2yqr h LYS 32 CO 0.01 0.50 0.63 -0.24 -1.08 0.00 0.00 179.45 179.27 2yqr h VAL 33 N -0.99 1.10 0.00 0.50 3.04 -0.97 -1.35 116.25 117.58 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 0.54 -0.14 0.00 0.00 -2.01 0.00 0.00 31.29 29.67 2yqr h VAL 33 CO 0.00 0.21 -0.72 -1.84 -1.01 0.00 0.00 177.57 174.22 2yqr n GLU 34 N -4.48 0.26 -1.44 4.17 0.28 -0.66 -4.04 120.64 114.73 2yqr n GLU 34 Ca 0.14 0.05 0.19 0.00 -0.16 0.00 0.00 57.16 57.39 2yqr n GLU 34 Cb 0.17 -1.64 -0.05 0.00 1.43 0.00 0.00 31.44 31.35 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 -2.05 3.72 -1.84 0.00 0.84 -3.11 105.19 104.11 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 -2.50 4.35 -1.30 1.61 0.04 -1.26 -3.00 135.00 132.94 2yqr s PRO 36 Ca 0.00 2.04 -0.02 0.00 0.04 0.00 0.00 61.00 63.05 2yqr s PRO 36 Cb 0.00 -3.25 0.01 0.00 0.04 0.00 0.00 34.50 31.31 2yqr s PRO 36 CO 0.00 -0.38 0.16 0.41 0.04 0.00 0.00 177.00 177.23 2yqr n GLY 37 N 3.21 -0.50 2.42 0.56 0.00 -1.26 -0.11 105.19 109.51 2yqr n GLY 37 Ca 0.10 0.03 -0.17 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 -0.39 0.18 0.00 0.87 -0.48 0.14 113.55 113.88 2yqr h SER 39 Ca -0.39 -0.07 0.01 0.00 -1.23 0.00 0.00 61.79 60.12 2yqr h SER 39 Cb 1.22 0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 63.24 2yqr h SER 39 CO 0.51 -0.17 -0.52 1.88 -0.53 0.00 0.00 176.83 177.99 2yqr h TYR 40 N -0.59 -1.50 -0.91 2.24 -1.99 -1.77 -0.82 116.97 111.63 2yqr h TYR 40 Ca -0.05 0.04 0.06 0.00 2.00 0.00 0.00 58.73 60.78 2yqr h TYR 40 Cb 0.43 0.63 -0.06 0.00 2.00 0.00 0.00 36.73 39.73 2yqr h TYR 40 CO -0.02 -0.61 0.59 -0.07 -0.00 0.00 0.00 178.16 178.06 2yqr h LEU 41 N -0.79 0.93 -0.63 3.88 4.07 -1.59 -2.01 115.31 119.16 2yqr h LEU 41 Ca -0.01 0.00 0.07 0.00 0.08 0.00 0.00 57.88 58.02 2yqr h LEU 41 Cb 0.78 -0.19 -0.06 0.00 1.08 0.00 0.00 40.66 42.27 2yqr h LEU 41 CO -0.25 0.60 0.33 1.56 -1.08 0.00 0.00 178.44 179.59 2yqr h GLN 42 N 1.05 0.58 0.17 1.13 1.08 0.15 -0.54 115.11 118.73 2yqr h GLN 42 Ca 0.39 -0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.56 2yqr h GLN 42 Cb 0.17 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.44 2yqr h GLN 42 CO -0.14 0.38 -0.46 1.25 -0.95 0.00 0.00 178.83 178.91 2yqr h HIS 43 N 0.60 -1.31 -0.02 2.96 2.76 -0.40 0.28 115.15 120.01 2yqr h HIS 43 Ca 0.29 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.50 2yqr h HIS 43 Cb 0.23 0.55 -0.00 0.00 1.55 0.00 0.00 27.41 29.74 2yqr h HIS 43 CO -0.10 -0.53 0.02 0.82 -1.30 0.00 0.00 177.93 176.84 2yqr h ILE 44 N -0.70 0.66 0.00 6.26 2.04 -1.49 0.29 117.51 124.57 2yqr h ILE 44 Ca -0.02 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.73 2yqr h ILE 44 Cb 0.68 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 2yqr h ILE 44 CO -0.21 0.00 -0.56 1.56 0.00 0.00 0.00 178.15 178.94 2yqr h GLN 45 N 0.00 0.00 0.00 2.37 4.20 0.36 -2.30 115.11 119.74 2yqr h GLN 45 Ca 0.01 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.56 2yqr h GLN 45 Cb 0.06 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 2yqr h GLN 45 CO -0.00 0.56 -1.69 -0.89 -0.67 0.00 0.00 178.83 176.15 2yqr n ILE 46 N -3.46 0.95 0.13 2.54 5.41 0.84 -0.62 119.36 125.14 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 0.67 -0.51 -0.00 0.00 -0.71 0.00 0.00 39.64 39.08 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 -0.53 -3.35 114.58 115.47 2yqr h GLU 47 Ca -0.20 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.47 2yqr h GLU 47 Cb 1.56 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.20 2yqr h GLU 47 CO 0.03 0.59 -1.27 0.25 -1.16 0.00 0.00 179.01 177.44 2yqr n THR 48 N -3.24 0.15 -1.08 1.13 -2.24 -0.87 -5.02 114.28 103.11 2yqr n THR 48 Ca 0.02 -0.15 -0.03 0.00 -2.27 0.00 0.00 64.05 61.62 2yqr n THR 48 Cb 0.77 -0.19 -0.01 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 2.44 0.59 3.91 3.38 0.00 0.21 -4.86 105.19 110.85 2yqr n GLY 49 Ca -0.04 -0.74 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.06 3.81 -0.54 4.61 0.00 -1.19 -5.00 121.76 121.38 2yqr s ALA 50 Ca 0.00 -1.25 -0.26 0.00 0.00 0.00 0.00 51.96 50.45 2yqr s ALA 50 Cb 0.00 -1.59 0.03 0.00 0.00 0.00 0.00 23.12 21.57 2yqr s ALA 50 CO 0.00 0.31 1.02 0.15 0.00 0.00 0.00 175.76 177.25 2yqr s LYS 51 N -3.75 3.44 -0.22 0.00 1.02 -0.49 -4.51 119.74 115.23 2yqr s LYS 51 Ca 0.33 0.00 -0.05 0.00 0.02 0.00 0.00 55.97 56.28 2yqr s LYS 51 Cb -0.09 -4.01 -0.02 0.00 -0.52 0.00 0.00 37.83 33.19 2yqr s LYS 51 CO 0.27 -1.50 -0.01 0.08 -0.92 0.00 0.00 175.35 173.28 2yqr s VAL 52 N 4.24 3.75 -0.07 3.17 1.01 -1.26 -0.02 120.40 131.22 2yqr s VAL 52 Ca 0.36 -0.37 -0.06 0.00 0.00 0.00 0.00 61.98 61.91 2yqr s VAL 52 Cb -0.10 -2.71 0.02 0.00 0.00 0.00 0.00 36.38 33.59 2yqr s VAL 52 CO 0.23 0.41 0.19 0.72 0.00 0.00 0.00 175.10 176.64 2yqr s PHE 53 N 1.35 -0.21 0.15 5.22 -0.12 -0.41 -4.95 117.98 119.01 2yqr s PHE 53 Ca 0.04 0.52 -0.30 0.00 -0.05 0.00 0.00 56.93 57.14 2yqr s PHE 53 Cb -0.15 0.05 -0.08 0.00 -0.63 0.00 0.00 43.02 42.22 2yqr s PHE 53 CO 0.00 -0.12 1.28 -1.17 -0.05 0.00 0.00 175.22 175.16 2yqr s LEU 54 N 0.31 4.41 0.06 -1.99 2.96 -1.26 -2.09 118.68 121.07 2yqr s LEU 54 Ca -0.02 2.27 0.01 0.00 -0.22 0.00 0.00 54.13 56.17 2yqr s LEU 54 Cb -0.03 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.03 2yqr s LEU 54 CO -0.01 -0.50 -0.05 -0.60 -1.32 0.00 0.00 176.35 173.87 2yqr s ARG 55 N 0.32 0.61 0.00 1.98 3.52 -0.48 -4.83 118.95 120.06 2yqr s ARG 55 Ca 0.58 -1.05 0.00 0.00 -0.13 0.00 0.00 55.73 55.12 2yqr s ARG 55 Cb -0.34 -0.03 0.00 0.00 -1.56 0.00 0.00 34.95 33.02 2yqr s ARG 55 CO 0.34 -0.04 0.00 0.41 -0.81 0.00 0.00 175.30 175.20 2yqr n GLY 56 N 0.60 0.97 3.65 8.12 0.00 -1.26 -0.34 105.19 116.94 2yqr n GLY 56 Ca -0.17 -2.13 -0.49 0.00 0.00 0.00 0.00 46.02 43.23 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 0.22 1.77 0.00 1.61 4.81 0.84 -0.39 118.16 127.01 2yqr n LYS 57 Ca 0.00 0.64 0.00 0.00 -0.87 0.00 0.00 58.31 58.08 2yqr n LYS 57 Cb 0.00 -2.37 0.00 0.00 0.02 0.00 0.00 35.03 32.68 2yqr n LYS 57 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2yqr n GLY 58 N 3.34 3.23 0.24 3.14 0.00 -1.26 -0.12 105.19 113.76 2yqr n GLY 58 Ca 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.18 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 0.45 0.00 1.61 4.64 -1.00 -3.47 113.55 115.77 2yqr h SER 59 Ca 0.00 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2yqr h SER 59 Cb 0.00 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 2yqr h SER 59 CO 0.00 0.69 0.00 0.61 -0.87 0.00 0.00 176.83 177.26 2yqr n GLY 60 N -0.44 1.59 3.23 -0.77 0.00 -1.26 -4.89 105.19 102.65 2yqr n GLY 60 Ca -0.00 0.00 -0.42 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 5.84 0.16 -4.62 0.00 1.08 -1.90 -3.35 117.51 114.72 2yqr h ILE 62 Ca -0.16 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.32 2yqr h ILE 62 Cb 1.06 0.96 -0.11 0.00 -3.07 0.00 0.00 36.82 35.66 2yqr h ILE 62 CO 0.86 0.00 -1.30 -0.62 -0.69 0.00 0.00 178.15 176.39 2yqr n GLU 63 N -3.31 -3.75 0.00 2.37 1.02 -1.26 -1.75 120.64 113.96 2yqr n GLU 63 Ca -0.03 2.92 0.07 0.00 -0.02 0.00 0.00 57.16 60.10 2yqr n GLU 63 Cb 0.12 -4.35 0.33 0.00 -0.02 0.00 0.00 31.44 27.52 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 1.36 0.09 -0.15 3.49 -0.04 -1.26 -0.02 135.00 138.48 2yqr n PRO 64 Ca -0.34 0.21 -0.10 0.00 -0.04 0.00 0.00 63.50 63.22 2yqr n PRO 64 Cb 0.53 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.48 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 2.58 0.59 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 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2yqr h ALA 65 CO 0.00 0.41 -0.77 0.43 0.00 0.00 0.00 179.25 179.32 2yqr n SER 66 N -4.37 3.39 0.00 0.00 7.64 -1.16 -5.04 113.62 114.08 2yqr n SER 66 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2yqr n SER 66 Cb 0.32 0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 2yqr n SER 66 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yqr n GLY 67 N 2.76 1.38 3.36 0.23 0.00 0.97 -5.10 105.19 108.79 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 1.59 1.11 1.61 1.70 -0.72 -4.76 118.95 119.35 2yqr s ARG 68 Ca 0.00 -1.20 -0.18 0.00 -0.47 0.00 0.00 55.73 53.87 2yqr s ARG 68 Cb 0.00 -1.90 0.10 0.00 -0.57 0.00 0.00 34.95 32.58 2yqr s ARG 68 CO 0.00 0.47 0.03 0.39 -1.08 0.00 0.00 175.30 175.11 2yqr n GLU 69 N 1.40 -1.49 -1.58 3.89 1.02 -1.17 -4.40 120.64 118.31 2yqr n GLU 69 Ca -0.17 -0.42 -0.35 0.00 -0.02 0.00 0.00 57.16 56.19 2yqr n GLU 69 Cb 0.52 -1.71 0.08 0.00 -0.02 0.00 0.00 31.44 30.32 2yqr n GLU 69 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yqr s ALA 70 N -2.25 2.23 0.31 0.62 0.00 -1.26 -4.89 121.76 116.52 2yqr s ALA 70 Ca 0.56 1.03 0.13 0.00 0.00 0.00 0.00 51.96 53.68 2yqr s ALA 70 Cb -0.12 -3.51 0.57 0.00 0.00 0.00 0.00 23.12 20.06 2yqr s ALA 70 CO 0.66 -1.75 1.73 0.27 0.00 0.00 0.00 175.76 176.67 2yqr h PHE 71 N 0.10 0.00 -3.38 0.00 -5.15 -1.97 -3.30 116.94 103.23 2yqr h PHE 71 Ca -0.49 0.00 -0.48 0.00 -0.20 0.00 0.00 57.97 56.80 2yqr h PHE 71 Cb 1.31 0.00 0.04 0.00 0.22 0.00 0.00 35.95 37.52 2yqr h PHE 71 CO 0.45 0.48 0.06 -1.21 -2.00 0.00 0.00 178.31 176.08 2yqr s GLU 72 N -3.87 3.31 0.91 6.09 2.02 -1.26 -4.90 118.70 121.00 2yqr s GLU 72 Ca -0.02 -0.01 -0.12 0.00 0.02 0.00 0.00 54.97 54.84 2yqr s GLU 72 Cb 0.13 -2.41 0.14 0.00 0.10 0.00 0.00 34.13 32.09 2yqr s GLU 72 CO 0.73 -0.30 1.09 -1.25 0.02 0.00 0.00 175.26 175.56 2yqr s PRO 73 N -4.73 1.14 0.71 0.39 0.04 -1.26 -0.11 135.00 131.18 2yqr s PRO 73 Ca 0.48 0.78 -0.16 0.00 0.04 0.00 0.00 61.00 62.14 2yqr s PRO 73 Cb -0.10 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2yqr s PRO 73 CO 0.43 -2.31 0.98 0.00 0.04 0.00 0.00 177.00 176.13 2yqr n MET 74 N -3.93 0.54 -3.48 4.56 0.00 0.83 -4.03 117.12 111.62 2yqr n MET 74 Ca 0.07 0.24 -0.10 0.00 0.00 0.00 0.00 57.70 57.91 2yqr n MET 74 Cb 0.56 -2.23 -0.02 0.00 0.00 0.00 0.00 33.22 31.52 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 -1.79 -0.41 0.16 3.17 -0.85 0.54 -4.01 117.35 114.16 2yqr s TYR 75 Ca 0.74 0.30 -0.30 0.00 -0.52 0.00 0.00 57.07 57.28 2yqr s TYR 75 Cb -0.35 0.54 -0.07 0.00 0.38 0.00 0.00 41.96 42.46 2yqr s TYR 75 CO 0.50 -0.63 1.01 0.42 -1.52 0.00 0.00 175.55 175.33 2yqr s ILE 76 N -3.14 4.19 -0.20 -3.49 1.01 0.79 -1.39 121.20 118.98 2yqr s ILE 76 Ca 0.03 1.91 0.00 0.00 0.00 0.00 0.00 60.65 62.60 2yqr s ILE 76 Cb -0.01 -4.22 0.05 0.00 0.01 0.00 0.00 42.46 38.29 2yqr s ILE 76 CO -0.09 0.34 -0.08 -0.47 0.00 0.00 0.00 174.94 174.64 2yqr s TYR 77 N -0.34 2.18 -0.06 3.97 6.14 -0.89 -1.17 117.35 127.19 2yqr s TYR 77 Ca 0.46 -1.46 -0.03 0.00 0.64 0.00 0.00 57.07 56.68 2yqr s TYR 77 Cb -0.26 -1.52 -0.04 0.00 0.42 0.00 0.00 41.96 40.56 2yqr s TYR 77 CO 0.32 -0.71 0.10 0.42 0.64 0.00 0.00 175.55 176.32 2yqr s ILE 78 N 1.47 5.00 -0.22 3.14 1.01 -1.16 -1.29 121.20 129.16 2yqr s ILE 78 Ca -0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 60.65 60.47 2yqr s ILE 78 Cb -0.16 -3.23 0.07 0.00 0.01 0.00 0.00 42.46 39.14 2yqr s ILE 78 CO -0.08 0.48 0.02 -0.94 0.00 0.00 0.00 174.94 174.42 2yqr s SER 79 N -1.40 3.34 -0.02 3.58 1.04 0.97 -1.85 113.70 119.36 2yqr s SER 79 Ca 0.19 -1.05 0.03 0.00 0.48 0.00 0.00 55.95 55.61 2yqr s SER 79 Cb -0.12 -0.79 -0.00 0.00 0.10 0.00 0.00 66.02 65.21 2yqr s SER 79 CO 0.10 -0.31 -0.10 -2.28 0.98 0.00 0.00 173.24 171.63 2yqr s HIS 80 N 1.70 1.04 -1.01 5.02 5.04 -0.50 -1.39 115.29 125.18 2yqr s HIS 80 Ca -0.00 -0.25 0.14 0.00 -1.54 0.00 0.00 55.06 53.41 2yqr s HIS 80 Cb -0.18 -0.72 0.61 0.00 0.04 0.00 0.00 32.58 32.34 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 3.15 0.01 -4.10 2.88 -0.04 -1.26 -0.46 135.00 135.17 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 -2.99 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 0.12 0.00 -1.36 0.00 0.00 55.97 53.83 2yqr s LYS 82 Cb 0.09 -0.28 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 0.00 0.14 -1.68 0.13 -1.92 -2.79 132.00 129.84 2yqr h PRO 83 Ca -0.36 -0.00 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 0.49 -0.35 1.49 -0.23 0.00 0.00 178.00 179.89 2yqr h GLU 84 N 0.00 -0.52 -0.52 0.86 4.81 -1.97 0.38 114.58 117.62 2yqr h GLU 84 Ca -0.00 0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.18 2yqr h GLU 84 Cb 0.87 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.35 2yqr h GLU 84 CO 0.06 -0.35 0.01 0.78 -0.73 0.00 0.00 179.01 178.79 2yqr h GLY 85 N -0.54 0.98 0.26 1.92 0.00 -1.89 -2.69 103.07 101.09 2yqr h GLY 85 Ca -0.01 -0.71 0.16 0.00 0.00 0.00 0.00 47.33 46.76 2yqr h GLY 85 CO -0.16 0.66 0.55 -2.00 0.00 0.00 0.00 176.54 175.59 2yqr h LEU 86 N 0.78 0.73 -0.76 3.11 7.12 -1.31 0.34 115.31 125.32 2yqr h LEU 86 Ca 0.15 0.08 -0.06 0.00 0.13 0.00 0.00 57.88 58.18 2yqr h LEU 86 Cb 0.51 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.58 2yqr h LEU 86 CO 0.02 0.31 -0.29 0.00 -0.13 0.00 0.00 178.44 178.36 2yqr h ALA 87 N 1.58 0.93 0.01 1.25 0.00 -0.76 -2.99 119.26 119.29 2yqr h ALA 87 Ca 0.51 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 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 -0.01 0.00 0.00 0.00 0.00 179.25 179.26 2yqr h ALA 88 N 1.71 -0.02 -1.00 0.00 0.00 -0.18 -3.18 119.26 116.59 2yqr h ALA 88 Ca -0.00 -0.22 0.19 0.00 0.00 0.00 0.00 54.91 54.87 2yqr h ALA 88 Cb 0.93 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.62 2yqr h ALA 88 CO 0.04 -0.02 0.61 0.00 0.00 0.00 0.00 179.25 179.88 2yqr h ALA 89 N -0.54 1.71 -0.48 0.00 0.00 -0.65 0.17 119.26 119.46 2yqr h ALA 89 Ca -0.00 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2yqr h ALA 89 Cb 0.45 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2yqr h ALA 89 CO 0.00 -0.06 0.14 -0.22 0.00 0.00 0.00 179.25 179.11 2yqr h LYS 90 N 0.76 0.71 -0.25 0.00 3.64 -1.64 -1.78 116.57 118.01 2yqr h LYS 90 Ca 0.57 -0.12 -0.07 0.00 -1.27 0.00 0.00 60.65 59.76 2yqr h LYS 90 Cb 0.89 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 2yqr h LYS 90 CO -0.36 0.63 -0.11 0.87 -2.27 0.00 0.00 179.45 178.21 2yqr h LYS 91 N 0.70 0.51 -0.45 1.90 1.57 -0.67 -2.80 116.57 117.32 2yqr h LYS 91 Ca 0.16 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 2yqr h LYS 91 Cb 0.22 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 2yqr h LYS 91 CO -0.01 0.77 0.16 -0.07 -0.57 0.00 0.00 179.45 179.73 2yqr h LEU 92 N 0.23 0.59 0.07 2.94 3.38 -1.09 -2.80 115.31 118.63 2yqr h LEU 92 Ca 0.06 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2yqr h LEU 92 Cb 0.61 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2yqr h LEU 92 CO 0.03 0.56 -0.04 0.00 0.09 0.00 0.00 178.44 179.08 2yqr h GLU 94 N -0.20 0.39 -0.01 0.00 4.39 -1.28 0.76 114.58 118.63 2yqr h GLU 94 Ca -0.01 -0.02 -0.18 0.00 0.34 0.00 0.00 59.36 59.49 2yqr h GLU 94 Cb 0.17 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 2yqr h GLU 94 CO 0.02 0.26 -0.81 -0.97 -1.16 0.00 0.00 179.01 176.34 2yqr h ASN 95 N 0.40 0.18 -0.11 1.42 -1.24 -1.21 -3.06 115.58 111.95 2yqr h ASN 95 Ca 0.31 -0.14 -0.23 0.00 0.71 0.00 0.00 56.30 56.95 2yqr h ASN 95 Cb 0.67 -0.05 0.01 0.00 0.73 0.00 0.00 38.32 39.68 2yqr h ASN 95 CO -0.09 0.91 -0.85 0.25 -1.29 0.00 0.00 177.43 176.37 2yqr h LEU 96 N 0.08 0.94 -1.20 0.34 6.46 0.36 -3.21 115.31 119.08 2yqr h LEU 96 Ca -0.03 -0.66 -0.01 0.00 -0.12 0.00 0.00 57.88 57.07 2yqr h LEU 96 Cb 1.41 -0.28 -0.03 0.00 -0.73 0.00 0.00 40.66 41.03 2yqr h LEU 96 CO 0.12 1.45 0.40 -0.07 -0.62 0.00 0.00 178.44 179.73 2yqr h LEU 97 N 0.50 0.84 -2.36 2.25 3.38 -0.99 -1.26 115.31 117.67 2yqr h LEU 97 Ca -0.07 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 2yqr h LEU 97 Cb 1.48 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 2yqr h LEU 97 CO 0.17 0.66 -0.01 1.56 0.09 0.00 0.00 178.44 180.91 2yqr h GLN 98 N 0.96 0.00 0.09 1.13 1.08 -1.54 0.49 115.11 117.33 2yqr h GLN 98 Ca 0.25 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.44 2yqr h GLN 98 Cb -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 2yqr h GLN 98 CO -0.04 0.01 -0.04 1.15 -0.95 0.00 0.00 178.83 178.95 2yqr h THR 99 N 0.00 0.23 -0.49 -0.54 2.02 -1.30 -3.20 112.91 109.63 2yqr h THR 99 Ca -0.00 -1.07 0.04 0.00 0.77 0.00 0.00 66.41 66.15 2yqr h THR 99 Cb 0.02 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 2yqr h THR 99 CO 0.00 0.07 0.33 1.62 0.37 0.00 0.00 175.52 177.91 2yqr h VAL 100 N -1.02 1.04 -0.15 3.16 3.04 -1.35 -0.93 116.25 120.04 2yqr h VAL 100 Ca -0.01 -0.18 -0.02 0.00 -1.01 0.00 0.00 66.70 65.48 2yqr h VAL 100 Cb 0.21 0.46 -0.01 0.00 -2.01 0.00 0.00 31.29 29.94 2yqr h VAL 100 CO 0.02 0.10 0.01 0.45 -1.01 0.00 0.00 177.57 177.14 2yqr h HIS 101 N 0.54 0.21 0.00 3.17 -0.00 -1.02 -1.39 115.15 116.66 2yqr h HIS 101 Ca 0.20 -0.01 -0.10 0.00 -0.00 0.00 0.00 60.37 60.47 2yqr h HIS 101 Cb 0.13 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.46 2yqr h HIS 101 CO -0.00 0.22 -0.45 0.00 -0.00 0.00 0.00 177.93 177.69 2yqr h ALA 102 N 1.81 0.96 -0.15 2.45 0.00 -1.16 -3.13 119.26 120.05 2yqr h ALA 102 Ca 0.05 -0.41 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 2yqr h ALA 102 Cb 0.13 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2yqr h ALA 102 CO 0.00 0.57 -0.19 0.93 0.00 0.00 0.00 179.25 180.56 2yqr h GLU 103 N 0.00 0.39 -0.18 0.00 4.39 -1.16 -3.15 114.58 114.88 2yqr h GLU 103 Ca -0.00 -0.22 0.03 0.00 0.34 0.00 0.00 59.36 59.51 2yqr h GLU 103 Cb 0.99 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.62 2yqr h GLU 103 CO 0.06 0.79 -0.02 -0.92 -1.16 0.00 0.00 179.01 177.76 2yqr h TYR 104 N 0.02 -0.05 -0.76 4.33 3.20 -1.50 0.22 116.97 122.43 2yqr h TYR 104 Ca 0.02 0.02 0.21 0.00 3.14 0.00 0.00 58.73 62.12 2yqr h TYR 104 Cb 0.74 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.03 2yqr h TYR 104 CO 0.09 -0.05 0.54 1.03 -1.64 0.00 0.00 178.16 178.13 2yqr h SER 105 N 0.03 0.05 0.75 -2.11 0.87 -1.59 0.31 113.55 111.87 2yqr h SER 105 Ca 0.09 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.46 2yqr h SER 105 Cb 0.12 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.04 2yqr h SER 105 CO -0.17 0.02 -1.37 0.03 -0.53 0.00 0.00 176.83 174.82 2yqr h ARG 106 N 0.05 0.00 0.00 2.24 2.47 -1.16 -2.43 114.38 115.55 2yqr h ARG 106 Ca 0.36 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.88 2yqr h ARG 106 Cb 1.38 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.69 2yqr h ARG 106 CO -0.02 0.41 -0.90 0.35 0.56 0.00 0.00 179.97 180.37 2yqr h PHE 107 N 0.00 0.43 0.00 3.04 3.04 0.26 -3.27 116.94 120.44 2yqr h PHE 107 Ca -0.17 -0.23 -0.16 0.00 3.98 0.00 0.00 57.97 61.39 2yqr h PHE 107 Cb 1.69 -0.05 -0.03 0.00 2.56 0.00 0.00 35.95 40.12 2yqr h PHE 107 CO 0.00 1.05 -1.35 -0.24 -2.02 0.00 0.00 178.31 175.75 2yqr h VAL 108 N 0.16 0.50 -0.67 1.41 3.04 -0.69 -3.35 116.25 116.65 2yqr h VAL 108 Ca -0.06 -1.97 0.09 0.00 -1.01 0.00 0.00 66.70 63.75 2yqr h VAL 108 Cb 1.53 2.04 -0.07 0.00 -2.01 0.00 0.00 31.29 32.78 2yqr h VAL 108 CO 0.15 0.29 0.33 -1.13 -1.01 0.00 0.00 177.57 176.19 2yqr h ASN 109 N 0.00 0.42 -0.25 3.17 -1.24 -1.48 -1.49 115.58 114.71 2yqr h ASN 109 Ca -0.15 0.06 -0.11 0.00 0.71 0.00 0.00 56.30 56.81 2yqr h ASN 109 Cb 1.56 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 40.58 2yqr h ASN 109 CO 0.05 0.25 -0.24 0.06 -1.29 0.00 0.00 177.43 176.25 2yqr h GLN 110 N 0.57 0.73 -5.61 6.67 3.07 -1.71 -3.40 115.11 115.42 2yqr h GLN 110 Ca 0.33 -0.30 -0.32 0.00 0.09 0.00 0.00 58.65 58.45 2yqr h GLN 110 Cb 0.34 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 27.86 2yqr h GLN 110 CO -0.26 0.90 1.05 0.42 0.09 0.00 0.00 178.83 181.03 2yqr s ILE 111 N -4.57 3.11 -0.11 1.86 1.01 -0.56 -4.76 121.20 117.19 2yqr s ILE 111 Ca -0.09 -0.00 -0.16 0.00 0.00 0.00 0.00 60.65 60.39 2yqr s ILE 111 Cb 0.13 -3.27 -0.27 0.00 0.01 0.00 0.00 42.46 39.06 2yqr s ILE 111 CO 0.83 -0.26 0.55 0.78 0.00 0.00 0.00 174.94 176.84 2yqr h ASN 112 N 16.06 0.37 -3.56 3.58 2.35 -1.81 -3.44 115.58 129.13 2yqr h ASN 112 Ca -0.14 -0.85 -0.58 0.00 -0.55 0.00 0.00 56.30 54.18 2yqr h ASN 112 Cb 1.15 -0.12 -0.09 0.00 0.05 0.00 0.00 38.32 39.31 2yqr h ASN 112 CO 1.13 1.60 0.78 -0.89 -1.65 0.00 0.00 177.43 178.40 2yqr s THR 113 N -2.47 4.28 0.06 2.81 2.01 -1.26 -4.99 115.64 116.09 2yqr s THR 113 Ca -0.20 0.90 -0.16 0.00 0.31 0.00 0.00 61.69 62.54 2yqr s THR 113 Cb 0.04 -4.56 0.03 0.00 0.01 0.00 0.00 72.50 68.02 2yqr s THR 113 CO 0.76 -1.02 0.37 0.00 -0.69 0.00 0.00 174.62 174.04 2yqr s ALA 114 N 4.25 -0.87 -0.52 7.40 0.00 -1.26 -5.12 121.76 125.63 2yqr s ALA 114 Ca 0.41 0.11 -0.16 0.00 0.00 0.00 0.00 51.96 52.32 2yqr s ALA 114 Cb -0.09 0.43 0.11 0.00 0.00 0.00 0.00 23.12 23.57 2yqr s ALA 114 CO 0.28 -0.49 0.49 0.08 0.00 0.00 0.00 175.76 176.12 2yqr s VAL 115 N -2.86 5.17 0.14 0.00 1.01 -1.26 -5.05 120.40 117.55 2yqr s VAL 115 Ca -0.03 -1.30 -0.31 0.00 0.00 0.00 0.00 61.98 60.35 2yqr s VAL 115 Cb 0.00 -4.29 -0.08 0.00 0.00 0.00 0.00 36.38 32.01 2yqr s VAL 115 CO -0.05 -0.80 1.34 -2.16 0.00 0.00 0.00 175.10 173.43 2yqr s PRO 116 N 1.73 4.35 0.56 2.72 0.04 -1.26 -5.02 135.00 138.13 2yqr s PRO 116 Ca 0.04 2.04 -0.15 0.00 0.04 0.00 0.00 61.00 62.97 2yqr s PRO 116 Cb -0.28 -3.24 -0.06 0.00 0.04 0.00 0.00 34.50 30.97 2yqr s PRO 116 CO 0.05 -0.36 1.01 -0.51 0.04 0.00 0.00 177.00 177.23 2yqr s LEU 117 N 0.68 3.49 0.73 -3.56 1.43 -1.26 -5.04 118.68 115.14 2yqr s LEU 117 Ca 0.61 1.59 -0.12 0.00 -1.03 0.00 0.00 54.13 55.18 2yqr s LEU 117 Cb -0.36 -4.50 0.03 0.00 0.03 0.00 0.00 46.19 41.39 2yqr s LEU 117 CO 0.33 -0.81 1.10 -2.16 0.23 0.00 0.00 176.35 175.04 2yqr s PRO 118 N -4.37 2.47 0.00 1.29 0.04 -1.26 -5.34 135.00 127.84 2yqr s PRO 118 Ca 0.59 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.88 2yqr s PRO 118 Cb -0.11 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2yqr s PRO 118 CO 0.39 -1.49 0.00 0.41 0.04 0.00 0.00 177.00 176.35