#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yqg s SER 2 N 0.00 -0.31 -0.04 1.61 0.01 -1.26 -5.07 113.70 108.64 2yqg s SER 2 Ca 0.00 0.58 -0.06 0.00 1.31 0.00 0.00 55.95 57.78 2yqg s SER 2 Cb 0.00 1.47 -0.03 0.00 0.21 0.00 0.00 66.02 67.67 2yqg s SER 2 CO 0.00 -0.28 0.31 0.28 0.41 0.00 0.00 173.24 173.97 2yqg h SER 3 N 8.13 -0.17 -0.29 2.44 0.02 -2.01 -3.48 113.55 118.19 2yqg h SER 3 Ca -0.20 0.01 0.09 0.00 -0.84 0.00 0.00 61.79 60.85 2yqg h SER 3 Cb 1.15 0.04 -0.17 0.00 0.14 0.00 0.00 62.40 63.56 2yqg h SER 3 CO 0.24 0.13 -0.15 -0.83 -1.14 0.00 0.00 176.83 175.08 2yqg s GLY 4 N -2.70 -1.57 -0.07 -3.77 0.00 -1.26 -4.62 107.32 93.32 2yqg s GLY 4 Ca -0.03 1.06 -0.21 0.00 0.00 0.00 0.00 44.72 45.54 2yqg s GLY 4 CO 0.09 4.24 0.78 0.23 0.00 0.00 0.00 173.10 178.44 2yqg h SER 5 N 5.37 0.40 -3.48 1.64 0.87 -2.02 -3.45 113.55 112.88 2yqg h SER 5 Ca -0.02 -0.92 -0.58 0.00 -1.23 0.00 0.00 61.79 59.03 2yqg h SER 5 Cb 1.22 -0.13 -0.33 0.00 -0.44 0.00 0.00 62.40 62.72 2yqg h SER 5 CO -0.06 1.42 -0.84 -0.55 -0.53 0.00 0.00 176.83 176.27 2yqg s SER 6 N -6.93 2.32 0.00 6.23 0.15 -1.26 -5.11 113.70 109.10 2yqg s SER 6 Ca -0.16 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.09 2yqg s SER 6 Cb 0.02 -0.99 0.00 0.00 -1.71 0.00 0.00 66.02 63.33 2yqg s SER 6 CO 0.80 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.95 2yqg n GLY 7 N 3.58 2.54 0.10 9.45 0.00 -1.26 -5.06 105.19 114.55 2yqg n GLY 7 Ca -0.21 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 2yqg n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2yqg n GLN 8 N 0.00 0.75 -3.52 1.61 3.00 -1.26 -5.05 117.38 112.91 2yqg n GLN 8 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.91 2yqg n GLN 8 Cb 0.00 -1.51 -0.02 0.00 0.00 0.00 0.00 30.24 28.71 2yqg n GLN 8 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 2yqg s LYS 9 N -2.48 0.72 -0.85 -1.09 -2.85 -1.26 -5.10 119.74 106.83 2yqg s LYS 9 Ca -0.11 -0.23 -0.05 0.00 -1.00 0.00 0.00 55.97 54.57 2yqg s LYS 9 Cb 0.06 0.33 0.21 0.00 -2.06 0.00 0.00 37.83 36.38 2yqg s LYS 9 CO 0.80 -0.31 0.74 0.50 0.10 0.00 0.00 175.35 177.18 2yqg s ARG 10 N -2.84 3.29 -0.28 1.78 3.52 -1.26 -4.91 118.95 118.25 2yqg s ARG 10 Ca 0.05 -2.95 -0.17 0.00 -0.13 0.00 0.00 55.73 52.53 2yqg s ARG 10 Cb -0.01 -4.07 0.10 0.00 -1.56 0.00 0.00 34.95 29.41 2yqg s ARG 10 CO -0.07 -1.24 0.77 0.00 -0.81 0.00 0.00 175.30 173.94 2yqg s ALA 11 N -0.77 -1.97 -1.34 6.12 0.00 -1.26 -4.95 121.76 117.58 2yqg s ALA 11 Ca 0.24 2.34 -0.10 0.00 0.00 0.00 0.00 51.96 54.44 2yqg s ALA 11 Cb -0.11 -1.49 0.10 0.00 0.00 0.00 0.00 23.12 21.62 2yqg s ALA 11 CO -0.09 -0.37 0.26 1.87 0.00 0.00 0.00 175.76 177.43 2yqg n TRP 12 N 4.04 -0.93 -4.48 0.00 -0.00 -1.26 -4.88 117.44 109.93 2yqg n TRP 12 Ca -0.19 0.51 -0.34 0.00 -0.00 0.00 0.00 57.50 57.48 2yqg n TRP 12 Cb 0.58 -1.76 -0.10 0.00 -0.00 0.00 0.00 31.31 30.03 2yqg n TRP 12 CO 0.00 0.00 0.00 -1.50 -0.00 0.00 0.00 177.69 176.19 2yqg s ILE 13 N -3.34 3.94 0.15 5.87 2.07 -1.26 -5.12 121.20 123.51 2yqg s ILE 13 Ca 0.36 -0.46 0.06 0.00 -1.41 0.00 0.00 60.65 59.20 2yqg s ILE 13 Cb -0.21 -2.66 -0.04 0.00 0.13 0.00 0.00 42.46 39.68 2yqg s ILE 13 CO 0.79 0.54 -0.14 0.42 -1.91 0.00 0.00 174.94 174.64 2yqg s THR 14 N -0.90 1.44 0.16 4.00 -4.23 -1.26 -5.14 115.64 109.71 2yqg s THR 14 Ca 0.14 -1.88 0.10 0.00 -1.18 0.00 0.00 61.69 58.87 2yqg s THR 14 Cb -0.11 -1.71 -0.04 0.00 1.34 0.00 0.00 72.50 71.98 2yqg s THR 14 CO 0.04 -0.49 -0.18 0.00 -0.54 0.00 0.00 174.62 173.45 2yqg s ALA 15 N -2.46 2.68 -0.51 3.99 0.00 -1.26 -5.08 121.76 119.13 2yqg s ALA 15 Ca 0.13 -1.48 -0.27 0.00 0.00 0.00 0.00 51.96 50.34 2yqg s ALA 15 Cb -0.03 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 2yqg s ALA 15 CO 0.04 0.51 1.80 -1.25 0.00 0.00 0.00 175.76 176.86 2yqg s PRO 16 N -2.47 2.94 -0.02 0.00 0.04 -1.26 -4.85 135.00 129.38 2yqg s PRO 16 Ca 0.20 0.90 -0.30 0.00 0.04 0.00 0.00 61.00 61.84 2yqg s PRO 16 Cb -0.09 -4.29 -0.07 0.00 0.04 0.00 0.00 34.50 30.08 2yqg s PRO 16 CO 0.11 -2.35 1.82 0.08 0.04 0.00 0.00 177.00 176.70 2yqg s VAL 17 N 8.06 3.30 -0.26 -0.36 1.01 -1.19 -4.94 120.40 126.02 2yqg s VAL 17 Ca 0.71 0.36 0.01 0.00 0.00 0.00 0.00 61.98 63.05 2yqg s VAL 17 Cb -0.16 -3.23 0.05 0.00 0.00 0.00 0.00 36.38 33.04 2yqg s VAL 17 CO 0.26 -0.04 -0.08 0.00 0.00 0.00 0.00 175.10 175.24 2yqg s ALA 18 N 4.35 2.64 0.12 5.51 0.00 -1.26 -2.53 121.76 130.60 2yqg s ALA 18 Ca 0.81 -1.68 0.10 0.00 0.00 0.00 0.00 51.96 51.19 2yqg s ALA 18 Cb -0.38 -1.68 -0.04 0.00 0.00 0.00 0.00 23.12 21.03 2yqg s ALA 18 CO 0.36 -1.10 -0.24 -0.51 0.00 0.00 0.00 175.76 174.27 2yqg s LEU 19 N 1.19 2.32 -0.19 0.00 1.43 -1.23 -4.98 118.68 117.22 2yqg s LEU 19 Ca -0.05 -0.73 -0.10 0.00 -1.03 0.00 0.00 54.13 52.22 2yqg s LEU 19 Cb -0.19 -1.05 -0.05 0.00 0.03 0.00 0.00 46.19 44.94 2yqg s LEU 19 CO -0.04 0.11 0.14 -0.60 0.23 0.00 0.00 176.35 176.19 2yqg s ARG 20 N -2.04 4.13 0.85 1.70 3.52 -1.26 -2.16 118.95 123.69 2yqg s ARG 20 Ca 0.11 -0.20 -0.11 0.00 -0.13 0.00 0.00 55.73 55.40 2yqg s ARG 20 Cb -0.10 -3.40 0.10 0.00 -1.56 0.00 0.00 34.95 29.99 2yqg s ARG 20 CO 0.05 0.34 1.09 -1.83 -0.81 0.00 0.00 175.30 174.15 2yqg s GLU 21 N 0.24 1.67 0.00 5.12 -1.05 -1.19 -4.66 118.70 118.83 2yqg s GLU 21 Ca 0.09 0.85 0.00 0.00 -0.15 0.00 0.00 54.97 55.76 2yqg s GLU 21 Cb -0.11 -1.85 0.00 0.00 -0.44 0.00 0.00 34.13 31.72 2yqg s GLU 21 CO -0.01 -1.96 0.00 0.41 0.95 0.00 0.00 175.26 174.64 2yqg n GLY 22 N -1.37 1.61 3.89 -3.83 0.00 -1.25 -4.72 105.19 99.52 2yqg n GLY 22 Ca 0.07 -0.60 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 2yqg n GLY 22 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yqg s GLU 23 N 0.00 0.96 -0.22 1.61 2.02 -1.26 -4.89 118.70 116.92 2yqg s GLU 23 Ca 0.00 -0.19 -0.28 0.00 0.02 0.00 0.00 54.97 54.53 2yqg s GLU 23 Cb 0.00 -1.86 0.00 0.00 0.10 0.00 0.00 34.13 32.37 2yqg s GLU 23 CO 0.00 -2.24 0.98 -0.51 0.02 0.00 0.00 175.26 173.51 2yqg s ASP 24 N -4.68 7.04 -1.03 -0.19 1.01 -1.26 -4.68 116.67 112.87 2yqg s ASP 24 Ca 0.70 1.30 -0.08 0.00 0.71 0.00 0.00 52.55 55.17 2yqg s ASP 24 Cb -0.07 -2.51 -0.13 0.00 1.01 0.00 0.00 42.92 41.21 2yqg s ASP 24 CO 0.52 -0.60 2.98 0.18 0.21 0.00 0.00 175.17 178.46 2yqg n LEU 25 N 6.10 7.06 -2.19 1.23 7.99 -1.26 -4.49 117.00 131.44 2yqg n LEU 25 Ca 0.10 -3.74 -0.25 0.00 -0.01 0.00 0.00 56.01 52.11 2yqg n LEU 25 Cb 0.47 -1.42 0.16 0.00 -0.11 0.00 0.00 43.42 42.52 2yqg n LEU 25 CO 0.51 1.72 1.28 -1.54 -1.51 0.00 0.00 177.39 177.84 2yqg n SER 26 N 3.34 4.35 0.08 -1.43 3.41 -1.26 -4.39 113.62 117.73 2yqg n SER 26 Ca 0.62 -3.65 0.00 0.00 -0.26 0.00 0.00 58.87 55.58 2yqg n SER 26 Cb 0.41 -0.85 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 2yqg n SER 26 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2yqg n LYS 27 N -1.11 0.00 -0.34 4.33 5.02 -1.26 -4.81 118.16 119.99 2yqg n LYS 27 Ca 0.59 0.00 0.18 0.00 -2.02 0.00 0.00 58.31 57.06 2yqg n LYS 27 Cb 1.47 -0.31 0.40 0.00 -0.02 0.00 0.00 35.03 36.57 2yqg n LYS 27 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2yqg h LYS 28 N 0.00 0.54 -6.17 1.97 6.56 -1.95 -3.42 116.57 114.11 2yqg h LYS 28 Ca 0.00 -0.03 -0.65 0.00 -1.06 0.00 0.00 60.65 58.91 2yqg h LYS 28 Cb 0.03 -0.12 0.11 0.00 -0.57 0.00 0.00 32.23 31.68 2yqg h LYS 28 CO 0.00 0.36 -0.31 0.09 -2.06 0.00 0.00 179.45 177.53 2yqg n ASN 29 N -4.84 -0.39 -4.76 0.86 3.02 -1.26 -4.24 115.26 103.66 2yqg n ASN 29 Ca 0.27 1.14 -0.41 0.00 -0.03 0.00 0.00 54.58 55.55 2yqg n ASN 29 Cb 0.76 -1.07 -0.03 0.00 -0.61 0.00 0.00 39.78 38.83 2yqg n ASN 29 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2yqg s PRO 30 N -1.20 4.45 0.00 3.52 0.04 -1.26 -5.10 135.00 135.45 2yqg s PRO 30 Ca 0.62 2.05 0.23 0.00 0.04 0.00 0.00 61.00 63.95 2yqg s PRO 30 Cb -0.84 -3.13 0.12 0.00 0.04 0.00 0.00 34.50 30.69 2yqg s PRO 30 CO 0.57 -0.07 1.17 0.44 0.04 0.00 0.00 177.00 179.16 2yqg n ILE 31 N 1.24 0.00 -3.57 0.56 -5.35 -1.18 -4.97 119.36 106.08 2yqg n ILE 31 Ca 0.01 -0.26 -0.08 0.00 -0.27 0.00 0.00 62.75 62.15 2yqg n ILE 31 Cb 0.43 1.14 -0.04 0.00 -1.74 0.00 0.00 39.64 39.43 2yqg n ILE 31 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2yqg s ALA 32 N -2.45 -1.96 -0.30 -1.28 0.00 -1.26 -4.98 121.76 109.53 2yqg s ALA 32 Ca 0.20 1.52 -0.17 0.00 0.00 0.00 0.00 51.96 53.52 2yqg s ALA 32 Cb 0.18 -0.53 0.18 0.00 0.00 0.00 0.00 23.12 22.96 2yqg s ALA 32 CO 0.55 -0.41 1.15 -1.59 0.00 0.00 0.00 175.76 175.46 2yqg s LYS 33 N -1.64 0.14 0.14 0.00 -2.85 -1.26 -2.64 119.74 111.63 2yqg s LYS 33 Ca 0.02 0.33 0.11 0.00 -1.00 0.00 0.00 55.97 55.43 2yqg s LYS 33 Cb -0.01 0.19 -0.04 0.00 -2.06 0.00 0.00 37.83 35.92 2yqg s LYS 33 CO -0.02 -0.08 -0.26 0.96 0.10 0.00 0.00 175.35 176.05 2yqg s ILE 34 N 2.43 2.22 -0.15 3.79 -5.25 -1.26 -5.10 121.20 117.87 2yqg s ILE 34 Ca -0.02 -1.79 -0.33 0.00 -0.99 0.00 0.00 60.65 57.52 2yqg s ILE 34 Cb -0.05 -1.98 0.13 0.00 2.95 0.00 0.00 42.46 43.51 2yqg s ILE 34 CO -0.15 0.04 1.14 -1.38 -1.79 0.00 0.00 174.94 172.80 2yqg s HIS 35 N -1.19 -0.18 0.07 1.37 -3.43 -1.26 -4.97 115.29 105.70 2yqg s HIS 35 Ca 0.14 0.13 -0.20 0.00 -0.80 0.00 0.00 55.06 54.33 2yqg s HIS 35 Cb -0.10 0.52 -0.06 0.00 -1.43 0.00 0.00 32.58 31.51 2yqg s HIS 35 CO 0.06 -0.27 0.60 -1.54 -2.00 0.00 0.00 174.74 171.59 2yqg s SER 36 N -2.16 7.09 0.20 7.38 1.04 -1.26 -4.98 113.70 121.00 2yqg s SER 36 Ca 0.08 1.29 -0.10 0.00 0.48 0.00 0.00 55.95 57.69 2yqg s SER 36 Cb -0.01 -2.38 0.13 0.00 0.10 0.00 0.00 66.02 63.86 2yqg s SER 36 CO -0.05 0.22 1.80 0.44 0.98 0.00 0.00 173.24 176.63 2yqg h ASP 37 N 4.79 0.90 -0.82 7.02 3.32 -2.02 -2.31 116.42 127.31 2yqg h ASP 37 Ca -0.48 -0.12 0.24 0.00 0.02 0.00 0.00 57.03 56.69 2yqg h ASP 37 Cb 1.21 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 40.50 2yqg h ASP 37 CO 0.65 0.76 1.04 -0.07 -1.72 0.00 0.00 179.24 179.90 2yqg h LEU 38 N 0.97 0.00 0.72 1.55 3.38 -1.97 0.57 115.31 120.53 2yqg h LEU 38 Ca 0.24 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.18 2yqg h LEU 38 Cb 0.08 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.84 2yqg h LEU 38 CO -0.04 0.00 -0.35 0.00 0.09 0.00 0.00 178.44 178.15 2yqg h ALA 39 N 0.70 -1.17 -0.22 1.53 0.00 -1.67 0.23 119.26 118.65 2yqg h ALA 39 Ca 0.39 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 2yqg h ALA 39 Cb 2.46 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 20.61 2yqg h ALA 39 CO -0.00 -1.10 -0.31 1.05 0.00 0.00 0.00 179.25 178.88 2yqg h GLU 40 N -1.04 0.45 0.52 0.00 4.11 -1.13 1.63 114.58 119.13 2yqg h GLU 40 Ca -0.10 -0.19 -0.03 0.00 0.07 0.00 0.00 59.36 59.12 2yqg h GLU 40 Cb 0.74 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.98 2yqg h GLU 40 CO 0.16 0.72 -0.25 0.93 0.07 0.00 0.00 179.01 180.64 2yqg h GLU 41 N 0.39 -0.67 0.00 1.06 4.39 -1.21 -3.36 114.58 115.19 2yqg h GLU 41 Ca 0.05 0.05 -0.10 0.00 0.34 0.00 0.00 59.36 59.70 2yqg h GLU 41 Cb 0.75 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.53 2yqg h GLU 41 CO 0.06 -0.38 -0.54 0.00 -1.16 0.00 0.00 179.01 176.99 2yqg h ARG 42 N -0.89 0.00 0.00 2.33 2.47 -0.56 -3.49 114.38 114.24 2yqg h ARG 42 Ca -0.07 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 2yqg h ARG 42 Cb 0.61 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.93 2yqg h ARG 42 CO 0.12 1.00 0.00 0.41 0.56 0.00 0.00 179.97 182.06 2yqg n GLY 43 N 1.54 1.98 3.92 0.04 0.00 0.55 -5.05 105.19 108.17 2yqg n GLY 43 Ca -0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 2yqg n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yqg s LEU 44 N 0.00 4.13 -0.83 0.99 1.43 -0.91 -5.00 118.68 118.50 2yqg s LEU 44 Ca 0.00 0.52 -0.17 0.00 -1.03 0.00 0.00 54.13 53.45 2yqg s LEU 44 Cb 0.00 -3.32 0.17 0.00 0.03 0.00 0.00 46.19 43.07 2yqg s LEU 44 CO 0.00 -0.14 0.90 -0.75 0.23 0.00 0.00 176.35 176.59 2yqg s LYS 45 N -3.58 3.51 0.46 1.70 2.20 -1.26 -4.61 119.74 118.17 2yqg s LYS 45 Ca 0.41 -2.00 -0.22 0.00 -0.36 0.00 0.00 55.97 53.79 2yqg s LYS 45 Cb -0.11 -4.60 -0.08 0.00 -1.51 0.00 0.00 37.83 31.54 2yqg s LYS 45 CO 0.30 -1.52 1.11 0.42 -0.36 0.00 0.00 175.35 175.30 2yqg s ILE 46 N 1.57 3.39 -0.11 5.43 -1.09 -1.26 -4.36 121.20 124.77 2yqg s ILE 46 Ca 0.23 0.99 -0.04 0.00 -2.23 0.00 0.00 60.65 59.60 2yqg s ILE 46 Cb -0.10 -3.48 -0.04 0.00 -1.58 0.00 0.00 42.46 37.26 2yqg s ILE 46 CO -0.07 -0.06 0.06 -0.89 -1.23 0.00 0.00 174.94 172.74 2yqg s THR 47 N -1.68 4.77 -0.07 2.92 2.01 -0.56 -5.01 115.64 118.03 2yqg s THR 47 Ca 0.64 -0.07 0.03 0.00 0.31 0.00 0.00 61.69 62.60 2yqg s THR 47 Cb -0.24 -3.05 0.01 0.00 0.01 0.00 0.00 72.50 69.22 2yqg s THR 47 CO 0.29 0.59 -0.16 -0.31 -0.69 0.00 0.00 174.62 174.34 2yqg s TYR 48 N -0.74 1.77 0.10 4.92 2.02 -1.26 -2.26 117.35 121.91 2yqg s TYR 48 Ca 0.12 -0.64 0.04 0.00 -0.37 0.00 0.00 57.07 56.22 2yqg s TYR 48 Cb -0.12 -1.23 -0.04 0.00 -0.40 0.00 0.00 41.96 40.17 2yqg s TYR 48 CO 0.03 -0.28 -0.11 -1.59 -1.57 0.00 0.00 175.55 172.03 2yqg s LYS 49 N 0.42 0.88 -0.05 -0.62 -2.85 -1.22 -4.59 119.74 111.71 2yqg s LYS 49 Ca -0.13 -1.19 0.02 0.00 -1.00 0.00 0.00 55.97 53.68 2yqg s LYS 49 Cb -0.15 -0.59 0.01 0.00 -2.06 0.00 0.00 37.83 35.04 2yqg s LYS 49 CO 0.04 0.09 -0.10 0.71 0.10 0.00 0.00 175.35 176.20 2yqg s TYR 50 N -2.44 1.20 -0.06 1.78 1.51 -1.26 -2.74 117.35 115.33 2yqg s TYR 50 Ca 0.07 -0.38 0.02 0.00 -1.01 0.00 0.00 57.07 55.77 2yqg s TYR 50 Cb -0.03 -0.89 0.01 0.00 -0.11 0.00 0.00 41.96 40.95 2yqg s TYR 50 CO 0.00 -0.20 -0.13 0.95 -1.11 0.00 0.00 175.55 175.07 2yqg s THR 51 N 0.52 1.17 -5.00 -0.71 -4.23 -1.17 -4.76 115.64 101.46 2yqg s THR 51 Ca -0.10 -0.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.90 2yqg s THR 51 Cb -0.13 -1.06 0.00 0.00 1.34 0.00 0.00 72.50 72.65 2yqg s THR 51 CO 0.02 0.36 0.00 0.61 -0.54 0.00 0.00 174.62 175.07 2yqg n GLY 52 N 3.74 -0.47 3.68 3.99 0.00 -1.26 -2.31 105.19 112.56 2yqg n GLY 52 Ca -0.22 -1.38 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 2yqg n GLY 52 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2yqg s LYS 53 N -2.00 4.17 0.00 1.61 2.20 -1.02 -1.61 119.74 123.10 2yqg s LYS 53 Ca 0.00 2.41 0.00 0.00 -0.36 0.00 0.00 55.97 58.02 2yqg s LYS 53 Cb 0.00 -3.74 0.00 0.00 -1.51 0.00 0.00 37.83 32.58 2yqg s LYS 53 CO 0.00 -0.81 0.00 0.41 -0.36 0.00 0.00 175.35 174.59 2yqg n GLY 54 N 4.15 1.88 0.86 5.54 0.00 0.69 -4.70 105.19 113.61 2yqg n GLY 54 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 2yqg n GLY 54 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2yqg n ILE 55 N -0.29 1.14 0.05 -0.61 5.41 -0.96 -3.83 119.36 120.28 2yqg n ILE 55 Ca 0.00 0.29 0.02 0.00 1.00 0.00 0.00 62.75 64.07 2yqg n ILE 55 Cb 0.00 -1.71 -0.07 0.00 -0.71 0.00 0.00 39.64 37.15 2yqg n ILE 55 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 2yqg n THR 56 N -3.62 1.08 -4.26 1.39 -2.24 -0.63 -4.92 114.28 101.08 2yqg n THR 56 Ca -0.04 -0.66 -0.22 0.00 -2.27 0.00 0.00 64.05 60.86 2yqg n THR 56 Cb 0.17 -0.66 -0.12 0.00 -2.10 0.00 0.00 70.33 67.61 2yqg n THR 56 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2yqg s GLU 57 N -3.01 1.05 0.99 -0.78 2.02 -1.11 -5.00 118.70 112.85 2yqg s GLU 57 Ca -0.02 -1.12 -0.12 0.00 0.02 0.00 0.00 54.97 53.73 2yqg s GLU 57 Cb 0.09 -1.23 0.18 0.00 0.10 0.00 0.00 34.13 33.27 2yqg s GLU 57 CO 0.81 0.28 1.09 -1.25 0.02 0.00 0.00 175.26 176.21 2yqg s PRO 58 N -1.90 0.50 0.00 0.39 0.04 -1.26 -0.22 135.00 132.55 2yqg s PRO 58 Ca 0.04 0.56 -0.30 0.00 0.04 0.00 0.00 61.00 61.34 2yqg s PRO 58 Cb -0.10 -1.74 -0.06 0.00 0.04 0.00 0.00 34.50 32.64 2yqg s PRO 58 CO 0.04 -2.69 1.45 -1.25 0.04 0.00 0.00 177.00 174.58 2yqg s PRO 59 N -4.96 4.26 0.96 0.56 0.04 -1.26 -4.43 135.00 130.17 2yqg s PRO 59 Ca 0.65 2.02 -0.10 0.00 0.04 0.00 0.00 61.00 63.61 2yqg s PRO 59 Cb -0.19 -3.60 0.17 0.00 0.04 0.00 0.00 34.50 30.92 2yqg s PRO 59 CO 0.58 -0.62 1.12 1.19 0.04 0.00 0.00 177.00 179.31 2yqg n PHE 60 N 5.52 0.54 -2.03 0.56 3.72 -1.26 -4.32 117.46 120.19 2yqg n PHE 60 Ca 0.14 0.32 -0.04 0.00 -0.05 0.00 0.00 57.45 57.81 2yqg n PHE 60 Cb 0.43 -1.96 0.02 0.00 -0.94 0.00 0.00 39.48 37.04 2yqg n PHE 60 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2yqg n GLY 61 N 0.39 0.26 1.55 1.37 0.00 -1.26 -5.02 105.19 102.49 2yqg n GLY 61 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2yqg n GLY 61 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2yqg n ILE 62 N -2.01 0.55 -5.18 -0.61 2.08 -1.25 -4.67 119.36 108.27 2yqg n ILE 62 Ca -0.02 0.18 -0.32 0.00 0.56 0.00 0.00 62.75 63.15 2yqg n ILE 62 Cb 0.54 -1.02 -0.15 0.00 -0.75 0.00 0.00 39.64 38.26 2yqg n ILE 62 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 2yqg s PHE 63 N -2.00 2.47 -0.03 1.39 0.08 -1.25 -2.05 117.98 116.59 2yqg s PHE 63 Ca 0.00 -0.48 0.03 0.00 0.12 0.00 0.00 56.93 56.61 2yqg s PHE 63 Cb 0.00 -1.57 -0.00 0.00 -0.57 0.00 0.00 43.02 40.87 2yqg s PHE 63 CO 0.00 -0.05 -0.12 0.14 -0.10 0.00 0.00 175.22 175.08 2yqg s VAL 64 N -0.45 1.03 0.05 -0.44 -7.23 -1.13 -4.71 120.40 107.52 2yqg s VAL 64 Ca 0.05 -0.51 0.01 0.00 -1.81 0.00 0.00 61.98 59.72 2yqg s VAL 64 Cb -0.12 -0.89 -0.03 0.00 0.56 0.00 0.00 36.38 35.90 2yqg s VAL 64 CO 0.01 0.31 -0.05 0.72 -0.31 0.00 0.00 175.10 175.78 2yqg s PHE 65 N 0.05 0.58 -0.01 2.82 -0.12 -1.26 -2.80 117.98 117.23 2yqg s PHE 65 Ca -0.02 -0.75 0.01 0.00 -0.05 0.00 0.00 56.93 56.13 2yqg s PHE 65 Cb -0.09 -0.37 0.00 0.00 -0.63 0.00 0.00 43.02 41.94 2yqg s PHE 65 CO 0.01 -0.20 -0.03 1.21 -0.05 0.00 0.00 175.22 176.16 2yqg s ASN 66 N -2.22 0.42 0.10 1.98 3.84 -1.24 -5.02 114.94 112.79 2yqg s ASN 66 Ca -0.02 -0.06 0.27 0.00 0.21 0.00 0.00 52.86 53.26 2yqg s ASN 66 Cb -0.02 -0.09 1.02 0.00 -0.55 0.00 0.00 41.25 41.60 2yqg s ASN 66 CO -0.04 0.01 1.83 2.29 -2.79 0.00 0.00 177.10 178.40 2yqg n LYS 67 N 3.26 0.12 0.07 0.43 2.85 -1.26 0.20 118.16 123.83 2yqg n LYS 67 Ca -0.16 0.12 -0.13 0.00 -1.05 0.00 0.00 58.31 57.09 2yqg n LYS 67 Cb 0.57 -1.65 -0.04 0.00 -0.65 0.00 0.00 35.03 33.26 2yqg n LYS 67 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 2yqg h ASP 68 N 0.00 0.52 0.00 -5.58 1.82 -1.95 -3.36 116.42 107.87 2yqg h ASP 68 Ca 0.00 -0.42 -0.16 0.00 -0.39 0.00 0.00 57.03 56.07 2yqg h ASP 68 Cb 0.58 -0.16 -0.03 0.00 0.68 0.00 0.00 39.33 40.41 2yqg h ASP 68 CO 0.00 1.22 -1.69 0.35 -1.61 0.00 0.00 179.24 177.51 2yqg n THR 69 N -3.74 0.60 -2.65 2.25 -2.24 -1.21 -5.06 114.28 102.23 2yqg n THR 69 Ca -0.07 -0.42 -0.09 0.00 -2.27 0.00 0.00 64.05 61.20 2yqg n THR 69 Cb 0.84 -0.54 0.04 0.00 -2.10 0.00 0.00 70.33 68.56 2yqg n THR 69 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yqg n GLY 70 N 2.26 -0.49 3.29 3.38 0.00 0.13 -5.06 105.19 108.70 2yqg n GLY 70 Ca -0.15 0.29 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 2yqg n GLY 70 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2yqg s GLU 71 N -3.87 1.03 -0.15 1.61 4.04 -1.24 -4.73 118.70 115.38 2yqg s GLU 71 Ca 0.29 -1.05 0.00 0.00 0.04 0.00 0.00 54.97 54.25 2yqg s GLU 71 Cb -0.04 0.37 0.03 0.00 0.02 0.00 0.00 34.13 34.51 2yqg s GLU 71 CO 0.49 -0.36 -0.11 -1.17 -1.84 0.00 0.00 175.26 172.26 2yqg s LEU 72 N -2.91 1.68 -0.02 1.83 2.96 -1.08 -3.71 118.68 117.42 2yqg s LEU 72 Ca 0.11 -0.54 0.04 0.00 -0.22 0.00 0.00 54.13 53.53 2yqg s LEU 72 Cb 0.04 -1.10 -0.01 0.00 0.50 0.00 0.00 46.19 45.62 2yqg s LEU 72 CO -0.05 -0.10 -0.15 0.21 -1.32 0.00 0.00 176.35 174.94 2yqg s ASN 73 N 1.53 1.80 0.02 3.68 2.47 -1.12 -3.12 114.94 120.20 2yqg s ASN 73 Ca 0.03 -0.28 -0.24 0.00 0.42 0.00 0.00 52.86 52.80 2yqg s ASN 73 Cb -0.14 -0.33 -0.05 0.00 -1.45 0.00 0.00 41.25 39.28 2yqg s ASN 73 CO -0.10 0.16 0.71 0.54 -3.72 0.00 0.00 177.10 174.70 2yqg s VAL 74 N -0.16 4.81 -0.21 -5.21 0.11 -1.26 -2.83 120.40 115.65 2yqg s VAL 74 Ca 0.02 1.51 0.12 0.00 -2.93 0.00 0.00 61.98 60.69 2yqg s VAL 74 Cb -0.08 -4.06 0.42 0.00 -1.53 0.00 0.00 36.38 31.13 2yqg s VAL 74 CO 0.00 0.37 1.25 0.35 -3.33 0.00 0.00 175.10 173.74 2yqg n THR 75 N 2.87 2.22 -3.57 5.04 -2.24 -0.87 -4.73 114.28 113.00 2yqg n THR 75 Ca -0.04 -3.04 -0.17 0.00 -2.27 0.00 0.00 64.05 58.54 2yqg n THR 75 Cb 0.50 -0.25 -0.07 0.00 -2.10 0.00 0.00 70.33 68.42 2yqg n THR 75 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2yqg s SER 76 N -3.09 -0.64 -0.20 3.42 0.01 -1.25 -4.85 113.70 107.11 2yqg s SER 76 Ca 0.38 0.84 -0.29 0.00 1.31 0.00 0.00 55.95 58.19 2yqg s SER 76 Cb 0.36 0.74 -0.00 0.00 0.21 0.00 0.00 66.02 67.33 2yqg s SER 76 CO -0.05 -0.50 1.18 -0.63 0.41 0.00 0.00 173.24 173.65 2yqg s ILE 77 N -0.80 4.42 1.09 1.44 1.01 -1.26 -4.72 121.20 122.37 2yqg s ILE 77 Ca -0.08 1.71 -0.12 0.00 0.00 0.00 0.00 60.65 62.16 2yqg s ILE 77 Cb -0.02 -4.13 0.24 0.00 0.01 0.00 0.00 42.46 38.56 2yqg s ILE 77 CO 0.07 -0.18 1.05 0.18 0.00 0.00 0.00 174.94 176.06 2yqg n LEU 78 N 6.57 0.24 -3.63 2.97 4.77 -1.26 -4.88 117.00 121.78 2yqg n LEU 78 Ca 0.13 0.04 -0.05 0.00 -0.03 0.00 0.00 56.01 56.11 2yqg n LEU 78 Cb 0.45 -1.34 -0.06 0.00 -2.33 0.00 0.00 43.42 40.14 2yqg n LEU 78 CO 0.55 -2.90 0.45 -0.62 -1.33 0.00 0.00 177.39 173.54 2yqg s ASP 79 N -2.48 -0.82 0.35 -1.43 -1.08 -1.26 -3.77 116.67 106.18 2yqg s ASP 79 Ca 0.68 1.29 0.17 0.00 -0.52 0.00 0.00 52.55 54.16 2yqg s ASP 79 Cb -0.25 1.43 0.57 0.00 -1.46 0.00 0.00 42.92 43.21 2yqg s ASP 79 CO 0.63 -0.20 1.69 -0.09 0.52 0.00 0.00 175.17 177.71 2yqg h ARG 80 N 6.83 0.00 0.45 4.34 2.43 -1.89 -0.18 114.38 126.35 2yqg h ARG 80 Ca -0.28 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.87 2yqg h ARG 80 Cb 1.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 2yqg h ARG 80 CO 0.16 0.44 -0.21 0.93 -1.51 0.00 0.00 179.97 179.78 2yqg h GLU 81 N 0.00 -0.58 0.19 0.20 5.08 -1.97 -3.01 114.58 114.50 2yqg h GLU 81 Ca -0.00 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2yqg h GLU 81 Cb 0.97 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2yqg h GLU 81 CO 0.06 -0.27 -0.09 1.49 -1.00 0.00 0.00 179.01 179.19 2yqg h GLU 82 N -0.92 -0.24 -3.75 2.33 4.57 -1.99 -3.42 114.58 111.15 2yqg h GLU 82 Ca -0.06 0.02 -0.63 0.00 -1.18 0.00 0.00 59.36 57.50 2yqg h GLU 82 Cb 0.57 0.06 -0.40 0.00 -0.16 0.00 0.00 28.75 28.82 2yqg h GLU 82 CO 0.10 0.04 -0.69 0.95 -1.18 0.00 0.00 179.01 178.23 2yqg s THR 83 N -2.83 2.06 0.09 0.32 -4.23 -0.08 -4.95 115.64 106.01 2yqg s THR 83 Ca -0.08 -2.63 0.34 0.00 -1.18 0.00 0.00 61.69 58.13 2yqg s THR 83 Cb 0.00 -2.47 0.39 0.00 1.34 0.00 0.00 72.50 71.76 2yqg s THR 83 CO 0.30 -0.74 1.98 1.55 -0.54 0.00 0.00 174.62 177.17 2yqg h PRO 84 N 7.09 0.00 -3.37 3.99 0.13 -1.60 -3.35 132.00 134.89 2yqg h PRO 84 Ca -0.06 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.99 2yqg h PRO 84 Cb 0.95 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.93 2yqg h PRO 84 CO 0.57 0.00 -0.20 -0.59 -0.23 0.00 0.00 178.00 177.55 2yqg s PHE 85 N -3.67 -0.11 -0.17 1.56 -0.12 -1.26 -3.46 117.98 110.76 2yqg s PHE 85 Ca 0.01 -0.11 -0.02 0.00 -0.05 0.00 0.00 56.93 56.76 2yqg s PHE 85 Cb 0.09 0.13 0.05 0.00 -0.63 0.00 0.00 43.02 42.66 2yqg s PHE 85 CO 0.53 -0.57 0.01 -0.06 -0.05 0.00 0.00 175.22 175.07 2yqg s PHE 86 N -3.08 1.16 -0.24 3.49 0.08 -0.56 -5.01 117.98 113.83 2yqg s PHE 86 Ca -0.01 -0.83 -0.10 0.00 0.12 0.00 0.00 56.93 56.11 2yqg s PHE 86 Cb 0.01 -1.07 -0.05 0.00 -0.57 0.00 0.00 43.02 41.34 2yqg s PHE 86 CO -0.07 -0.57 0.14 -0.51 -0.10 0.00 0.00 175.22 174.12 2yqg s LEU 87 N 1.81 4.00 0.07 -0.37 2.01 -1.26 -1.69 118.68 123.25 2yqg s LEU 87 Ca 0.00 0.06 0.00 0.00 0.01 0.00 0.00 54.13 54.20 2yqg s LEU 87 Cb -0.16 -2.07 -0.04 0.00 0.01 0.00 0.00 46.19 43.93 2yqg s LEU 87 CO -0.07 0.05 -0.05 -0.76 1.01 0.00 0.00 176.35 176.53 2yqg s LEU 88 N 1.14 2.49 -0.00 1.79 1.43 -0.99 -2.42 118.68 122.12 2yqg s LEU 88 Ca 0.07 -0.98 0.03 0.00 -1.03 0.00 0.00 54.13 52.22 2yqg s LEU 88 Cb -0.14 0.06 -0.01 0.00 0.03 0.00 0.00 46.19 46.13 2yqg s LEU 88 CO 0.05 -0.52 -0.09 -0.89 0.23 0.00 0.00 176.35 175.14 2yqg s THR 89 N -3.63 0.68 -0.15 5.49 2.01 -0.98 -2.55 115.64 116.52 2yqg s THR 89 Ca 0.08 -0.39 -0.03 0.00 0.31 0.00 0.00 61.69 61.66 2yqg s THR 89 Cb 0.06 -0.58 -0.03 0.00 0.01 0.00 0.00 72.50 71.96 2yqg s THR 89 CO -0.07 0.18 -0.05 -0.83 -0.69 0.00 0.00 174.62 173.15 2yqg s GLY 90 N -0.24 1.69 -0.05 4.40 0.00 -0.89 -3.04 107.32 109.18 2yqg s GLY 90 Ca 0.03 -0.83 0.05 0.00 0.00 0.00 0.00 44.72 43.97 2yqg s GLY 90 CO -0.00 -0.11 -0.21 -0.19 0.00 0.00 0.00 173.10 172.59 2yqg s TYR 91 N 0.31 2.53 -0.85 1.90 1.51 -1.11 -1.07 117.35 120.57 2yqg s TYR 91 Ca -0.05 -0.48 0.00 0.00 -1.01 0.00 0.00 57.07 55.54 2yqg s TYR 91 Cb -0.14 -1.61 0.21 0.00 -0.11 0.00 0.00 41.96 40.31 2yqg s TYR 91 CO 0.03 -0.05 0.72 0.00 -1.11 0.00 0.00 175.55 175.14 2yqg n ALA 92 N 2.69 3.73 -2.00 3.71 0.00 -1.26 -3.42 120.51 123.95 2yqg n ALA 92 Ca -0.17 -4.59 -0.37 0.00 0.00 0.00 0.00 53.44 48.31 2yqg n ALA 92 Cb 0.52 -1.53 -0.06 0.00 0.00 0.00 0.00 19.45 18.38 2yqg n ALA 92 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2yqg s LEU 93 N -1.45 4.40 0.79 0.00 1.43 -0.96 -4.14 118.68 118.76 2yqg s LEU 93 Ca 0.27 1.56 -0.10 0.00 -1.03 0.00 0.00 54.13 54.84 2yqg s LEU 93 Cb -0.06 -3.61 0.10 0.00 0.03 0.00 0.00 46.19 42.65 2yqg s LEU 93 CO -0.13 0.05 1.13 -0.62 0.23 0.00 0.00 176.35 177.01 2yqg s ASP 94 N -1.52 4.33 0.48 2.29 2.15 -1.15 -1.50 116.67 121.75 2yqg s ASP 94 Ca 0.43 0.46 0.36 0.00 0.43 0.00 0.00 52.55 54.23 2yqg s ASP 94 Cb -0.19 -0.92 1.51 0.00 -0.30 0.00 0.00 42.92 43.03 2yqg s ASP 94 CO 0.23 -1.95 1.65 0.00 -0.17 0.00 0.00 175.17 174.92 2yqg h ALA 95 N -0.95 3.08 -0.09 3.66 0.00 -1.95 1.05 119.26 124.06 2yqg h ALA 95 Ca -0.44 0.04 -0.24 0.00 0.00 0.00 0.00 54.91 54.27 2yqg h ALA 95 Cb 1.30 0.16 0.01 0.00 0.00 0.00 0.00 17.79 19.26 2yqg h ALA 95 CO 0.56 -1.64 -0.88 0.00 0.00 0.00 0.00 179.25 177.29 2yqg h ARG 96 N 0.07 0.72 0.00 0.00 3.08 -1.95 -3.48 114.38 112.82 2yqg h ARG 96 Ca 0.80 -0.66 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2yqg h ARG 96 Cb 2.80 0.16 0.00 0.00 0.08 0.00 0.00 29.97 33.01 2yqg h ARG 96 CO -0.24 1.26 0.00 0.41 -1.07 0.00 0.00 179.97 180.33 2yqg n GLY 97 N 0.85 1.54 3.53 0.04 0.00 0.36 -5.13 105.19 106.38 2yqg n GLY 97 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 2yqg n GLY 97 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2yqg s ASN 98 N -2.00 4.18 -1.13 1.61 0.01 -1.26 -4.83 114.94 111.52 2yqg s ASN 98 Ca 0.00 -0.41 -0.21 0.00 -0.71 0.00 0.00 52.86 51.53 2yqg s ASN 98 Cb 0.00 -0.75 0.03 0.00 0.41 0.00 0.00 41.25 40.94 2yqg s ASN 98 CO 0.00 0.20 1.68 0.54 -1.51 0.00 0.00 177.10 178.01 2yqg s ASN 99 N -1.96 6.29 0.13 -1.22 2.20 -1.26 -2.95 114.94 116.17 2yqg s ASN 99 Ca 0.19 -1.76 -0.06 0.00 -0.94 0.00 0.00 52.86 50.29 2yqg s ASN 99 Cb -0.11 -2.57 -0.09 0.00 -2.00 0.00 0.00 41.25 36.48 2yqg s ASN 99 CO 0.11 -1.72 1.31 -0.37 -2.94 0.00 0.00 177.10 173.49 2yqg h VAL 100 N 6.32 1.37 -3.30 3.54 -1.51 -1.97 -3.43 116.25 117.28 2yqg h VAL 100 Ca 0.28 -2.33 -0.55 0.00 -1.23 0.00 0.00 66.70 62.87 2yqg h VAL 100 Cb 0.95 2.32 -0.37 0.00 -2.13 0.00 0.00 31.29 32.06 2yqg h VAL 100 CO 1.39 0.70 -0.80 -1.61 -1.23 0.00 0.00 177.57 176.03 2yqg s GLU 101 N -3.38 1.53 0.32 5.19 0.41 -1.26 -5.11 118.70 116.40 2yqg s GLU 101 Ca -0.07 -0.49 -0.17 0.00 -0.41 0.00 0.00 54.97 53.84 2yqg s GLU 101 Cb 0.09 -1.96 -0.12 0.00 -1.78 0.00 0.00 34.13 30.36 2yqg s GLU 101 CO 0.87 -0.39 0.08 0.36 -0.49 0.00 0.00 175.26 175.69 2yqg n LYS 102 N 4.87 0.00 -0.19 1.61 0.00 -1.26 -4.34 118.16 118.84 2yqg n LYS 102 Ca -0.12 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.13 2yqg n LYS 102 Cb 0.48 -0.79 0.05 0.00 -0.00 0.00 0.00 35.03 34.77 2yqg n LYS 102 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2yqg n PRO 103 N 1.05 -1.43 -4.41 -1.58 -0.04 -1.26 -4.82 135.00 122.52 2yqg n PRO 103 Ca 0.09 -0.33 -0.24 0.00 -0.04 0.00 0.00 63.50 62.98 2yqg n PRO 103 Cb 0.31 -0.31 -0.13 0.00 -0.04 0.00 0.00 33.50 33.33 2yqg n PRO 103 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2yqg s LEU 104 N 0.00 2.25 -1.20 1.53 1.02 -0.23 -4.92 118.68 117.13 2yqg s LEU 104 Ca 0.13 -0.62 -0.05 0.00 0.02 0.00 0.00 54.13 53.62 2yqg s LEU 104 Cb -0.01 -0.90 0.22 0.00 0.02 0.00 0.00 46.19 45.52 2yqg s LEU 104 CO 0.10 0.09 1.94 1.21 0.02 0.00 0.00 176.35 179.71 2yqg n GLU 105 N 1.40 4.51 -1.77 1.70 2.13 -1.26 -2.10 120.64 125.25 2yqg n GLU 105 Ca -0.19 -3.98 -0.43 0.00 0.66 0.00 0.00 57.16 53.23 2yqg n GLU 105 Cb 0.53 -2.65 -0.03 0.00 0.27 0.00 0.00 31.44 29.57 2yqg n GLU 105 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 2yqg s LEU 106 N -2.25 3.87 -0.16 4.31 2.96 -1.06 -4.96 118.68 121.40 2yqg s LEU 106 Ca 0.42 2.05 -0.03 0.00 -0.22 0.00 0.00 54.13 56.36 2yqg s LEU 106 Cb 0.13 -3.52 -0.02 0.00 0.50 0.00 0.00 46.19 43.28 2yqg s LEU 106 CO -0.03 -1.49 -0.07 -0.60 -1.32 0.00 0.00 176.35 172.84 2yqg s ARG 107 N 5.31 3.55 -0.30 1.98 3.52 -1.26 -2.33 118.95 129.42 2yqg s ARG 107 Ca 0.89 -0.58 0.02 0.00 -0.13 0.00 0.00 55.73 55.92 2yqg s ARG 107 Cb -0.34 -2.84 0.07 0.00 -1.56 0.00 0.00 34.95 30.28 2yqg s ARG 107 CO 0.36 0.18 -0.03 0.42 -0.81 0.00 0.00 175.30 175.41 2yqg s ILE 108 N 0.50 2.42 0.28 4.11 1.01 -0.68 -3.15 121.20 125.70 2yqg s ILE 108 Ca -0.05 -1.78 -0.14 0.00 0.00 0.00 0.00 60.65 58.68 2yqg s ILE 108 Cb -0.15 -2.52 -0.08 0.00 0.01 0.00 0.00 42.46 39.72 2yqg s ILE 108 CO 0.03 -0.22 0.67 -0.75 0.00 0.00 0.00 174.94 174.68 2yqg s LYS 109 N 1.09 3.96 -0.31 2.79 2.20 -1.05 -1.49 119.74 126.92 2yqg s LYS 109 Ca -0.03 0.56 -0.06 0.00 -0.36 0.00 0.00 55.97 56.08 2yqg s LYS 109 Cb -0.20 -2.54 0.02 0.00 -1.51 0.00 0.00 37.83 33.61 2yqg s LYS 109 CO -0.05 0.23 0.08 0.08 -0.36 0.00 0.00 175.35 175.33 2yqg s VAL 110 N -1.89 3.80 0.28 4.02 1.01 -1.22 -3.54 120.40 122.85 2yqg s VAL 110 Ca 0.51 -0.92 -0.19 0.00 0.00 0.00 0.00 61.98 61.38 2yqg s VAL 110 Cb -0.11 -3.05 -0.09 0.00 0.00 0.00 0.00 36.38 33.13 2yqg s VAL 110 CO 0.19 -0.03 0.76 -0.76 0.00 0.00 0.00 175.10 175.26 2yqg s LEU 111 N 1.44 4.23 1.27 3.92 1.43 -0.92 -4.85 118.68 125.20 2yqg s LEU 111 Ca 0.00 1.43 -0.19 0.00 -1.03 0.00 0.00 54.13 54.34 2yqg s LEU 111 Cb -0.18 -3.84 0.31 0.00 0.03 0.00 0.00 46.19 42.51 2yqg s LEU 111 CO 0.02 -0.07 1.02 -1.81 0.23 0.00 0.00 176.35 175.73 2yqg s ASP 112 N -1.88 0.22 0.32 2.29 1.01 -1.26 -3.18 116.67 114.20 2yqg s ASP 112 Ca 0.48 0.93 0.04 0.00 0.71 0.00 0.00 52.55 54.72 2yqg s ASP 112 Cb -0.14 -1.37 0.55 0.00 1.01 0.00 0.00 42.92 42.97 2yqg s ASP 112 CO 0.20 -4.59 1.82 -0.29 0.21 0.00 0.00 175.17 172.51 2yqg h ILE 113 N -2.89 1.22 -1.01 0.77 6.09 -1.98 -2.85 117.51 116.86 2yqg h ILE 113 Ca -0.49 -0.99 -0.65 0.00 -1.37 0.00 0.00 64.86 61.36 2yqg h ILE 113 Cb 1.33 1.15 -0.32 0.00 0.47 0.00 0.00 36.82 39.44 2yqg h ILE 113 CO 0.37 0.32 0.45 0.59 -3.07 0.00 0.00 178.15 176.82 2yqg n ASN 114 N -4.21 6.98 -4.31 2.19 3.02 -1.26 -5.01 115.26 112.66 2yqg n ASN 114 Ca 0.00 -3.78 -0.60 0.00 -0.03 0.00 0.00 54.58 50.18 2yqg n ASN 114 Cb 0.31 -0.82 -0.11 0.00 -0.61 0.00 0.00 39.78 38.55 2yqg n ASN 114 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2yqg n ASP 115 N -0.84 0.94 -1.43 6.41 5.75 -1.08 -4.80 116.55 121.51 2yqg n ASP 115 Ca 0.57 0.69 -0.12 0.00 -0.01 0.00 0.00 54.79 55.93 2yqg n ASP 115 Cb 0.71 -0.94 0.10 0.00 -1.03 0.00 0.00 41.12 39.96 2yqg n ASP 115 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 2yqg n ASN 116 N 7.47 3.60 -4.42 -1.12 4.13 -1.26 -5.05 115.26 118.61 2yqg n ASN 116 Ca 0.52 -3.82 -0.45 0.00 1.68 0.00 0.00 54.58 52.51 2yqg n ASN 116 Cb -0.01 -0.42 -0.01 0.00 -1.54 0.00 0.00 39.78 37.79 2yqg n ASN 116 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 2yqg n GLU 117 N -0.88 0.32 -1.15 3.52 0.28 -1.26 -4.93 120.64 116.54 2yqg n GLU 117 Ca 0.34 0.11 -0.29 0.00 -0.16 0.00 0.00 57.16 57.16 2yqg n GLU 117 Cb 0.85 -1.23 0.19 0.00 1.43 0.00 0.00 31.44 32.68 2yqg n GLU 117 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2yqg s PRO 118 N -1.20 0.10 -0.13 3.44 0.04 -1.26 -5.06 135.00 130.93 2yqg s PRO 118 Ca 0.62 0.40 0.01 0.00 0.04 0.00 0.00 61.00 62.07 2yqg s PRO 118 Cb -0.76 -1.71 -0.01 0.00 0.04 0.00 0.00 34.50 32.06 2yqg s PRO 118 CO 0.59 -2.93 -0.16 0.54 0.04 0.00 0.00 177.00 175.08 2yqg s VAL 119 N -2.97 2.74 0.34 -0.36 0.11 -1.26 -5.10 120.40 113.90 2yqg s VAL 119 Ca 0.66 -0.77 -0.13 0.00 -2.93 0.00 0.00 61.98 58.82 2yqg s VAL 119 Cb -0.17 -2.13 0.05 0.00 -1.53 0.00 0.00 36.38 32.59 2yqg s VAL 119 CO 0.57 0.53 0.69 0.33 -3.33 0.00 0.00 175.10 173.89 2yqg n PHE 120 N 3.62 -2.16 -4.33 1.54 7.35 -1.26 -5.19 117.46 117.03 2yqg n PHE 120 Ca -0.18 -1.59 -0.18 0.00 -0.76 0.00 0.00 57.45 54.74 2yqg n PHE 120 Cb 0.53 0.80 -0.10 0.00 0.35 0.00 0.00 39.48 41.05 2yqg n PHE 120 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2yqg s THR 121 N -2.22 1.52 -0.19 -2.13 -4.23 -1.26 -5.14 115.64 101.99 2yqg s THR 121 Ca 0.14 -2.15 0.01 0.00 -1.18 0.00 0.00 61.69 58.51 2yqg s THR 121 Cb -0.04 -2.07 0.03 0.00 1.34 0.00 0.00 72.50 71.76 2yqg s THR 121 CO 0.10 -0.57 -0.16 -1.58 -0.54 0.00 0.00 174.62 171.87 2yqg s GLN 122 N -3.70 2.55 0.00 3.99 0.74 -1.26 -5.32 119.66 116.67 2yqg s GLN 122 Ca 0.22 -0.83 0.01 0.00 0.05 0.00 0.00 55.36 54.81 2yqg s GLN 122 Cb 0.01 -2.47 0.01 0.00 1.10 0.00 0.00 33.01 31.66 2yqg s GLN 122 CO 0.06 -0.30 0.52 -3.47 -0.55 0.00 0.00 175.29 171.55