#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yux n SER 2 N 0.00 -0.70 -1.42 1.61 7.64 -1.26 -5.17 113.62 114.33 2yux n SER 2 Ca 0.00 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.36 2yux n SER 2 Cb 0.00 0.83 0.00 0.00 -1.01 0.00 0.00 64.21 64.03 2yux n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2yux n SER 3 N -3.33 -7.69 0.00 6.43 2.88 -1.26 -5.08 113.62 105.57 2yux n SER 3 Ca 0.00 1.64 0.00 0.00 -1.33 0.00 0.00 58.87 59.18 2yux n SER 3 Cb 0.00 -4.48 0.00 0.00 -0.75 0.00 0.00 64.21 58.98 2yux n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yux n GLY 4 N -2.34 2.45 2.68 0.46 0.00 -1.26 -5.14 105.19 102.04 2yux n GLY 4 Ca 0.00 -0.47 -0.03 0.00 0.00 0.00 0.00 46.02 45.52 2yux n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yux n SER 5 N 0.00 -1.69 -3.60 1.61 2.88 -1.26 -5.16 113.62 106.40 2yux n SER 5 Ca 0.00 -1.24 -0.03 0.00 -1.33 0.00 0.00 58.87 56.27 2yux n SER 5 Cb 0.00 0.86 -0.02 0.00 -0.75 0.00 0.00 64.21 64.30 2yux n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2yux s SER 6 N 0.86 -0.14 0.00 -3.46 0.15 -1.26 -5.19 113.70 104.67 2yux s SER 6 Ca 0.24 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.84 2yux s SER 6 Cb 0.12 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 2yux s SER 6 CO -0.10 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.63 2yux n GLY 7 N -0.23 1.47 2.86 9.45 0.00 -1.26 -5.09 105.19 112.39 2yux n GLY 7 Ca -0.03 -1.45 -0.12 0.00 0.00 0.00 0.00 46.02 44.42 2yux n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yux s ALA 8 N -1.84 -0.91 0.25 4.61 0.00 -1.26 -5.13 121.76 117.48 2yux s ALA 8 Ca 0.00 -0.73 -0.20 0.00 0.00 0.00 0.00 51.96 51.03 2yux s ALA 8 Cb 0.00 -2.24 0.07 0.00 0.00 0.00 0.00 23.12 20.95 2yux s ALA 8 CO 0.00 -2.17 0.93 -1.12 0.00 0.00 0.00 175.76 173.41 2yux s SER 9 N 1.45 -0.03 0.31 0.00 0.01 -1.26 -5.14 113.70 109.05 2yux s SER 9 Ca 0.18 -0.80 -0.29 0.00 1.31 0.00 0.00 55.95 56.35 2yux s SER 9 Cb -0.11 0.62 -0.13 0.00 0.21 0.00 0.00 66.02 66.61 2yux s SER 9 CO -0.04 -1.23 1.31 0.00 0.41 0.00 0.00 173.24 173.69 2yux n ILE 10 N -0.61 1.73 -3.61 1.44 0.13 -1.26 -4.95 119.36 112.23 2yux n ILE 10 Ca -0.05 -0.43 -0.38 0.00 -1.10 0.00 0.00 62.75 60.79 2yux n ILE 10 Cb 0.60 -1.52 -0.10 0.00 -0.84 0.00 0.00 39.64 37.77 2yux n ILE 10 CO 0.00 0.00 0.00 -1.81 2.80 0.00 0.00 176.55 177.54 2yux s ASP 11 N -0.16 6.06 0.00 9.51 1.01 -1.26 -5.07 116.67 126.76 2yux s ASP 11 Ca 0.59 0.04 0.00 0.00 0.71 0.00 0.00 52.55 53.89 2yux s ASP 11 Cb -0.59 -2.12 0.00 0.00 1.01 0.00 0.00 42.92 41.22 2yux s ASP 11 CO 0.59 -0.01 0.00 -0.38 0.21 0.00 0.00 175.17 175.57 2yux n ILE 12 N 4.80 0.00 -1.67 0.77 5.41 -1.26 -4.95 119.36 122.46 2yux n ILE 12 Ca -0.14 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.44 2yux n ILE 12 Cb 0.52 -0.61 -0.11 0.00 -0.71 0.00 0.00 39.64 38.74 2yux n ILE 12 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2yux s GLN 13 N 0.32 1.35 0.00 0.38 -0.21 -1.26 -4.60 119.66 115.64 2yux s GLN 13 Ca 0.00 -0.48 0.29 0.00 0.02 0.00 0.00 55.36 55.19 2yux s GLN 13 Cb 0.00 -5.00 1.73 0.00 1.00 0.00 0.00 33.01 30.74 2yux s GLN 13 CO 0.00 -5.28 2.11 -0.89 -2.12 0.00 0.00 175.29 169.11 2yux n ILE 14 N 8.88 0.00 -4.64 1.08 2.08 -1.26 -4.70 119.36 120.80 2yux n ILE 14 Ca 0.42 0.00 -0.22 0.00 0.56 0.00 0.00 62.75 63.51 2yux n ILE 14 Cb 0.47 -0.47 -0.15 0.00 -0.75 0.00 0.00 39.64 38.73 2yux n ILE 14 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2yux s ILE 15 N -2.00 1.11 0.00 1.39 1.01 -1.26 -4.74 121.20 116.70 2yux s ILE 15 Ca 0.44 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.50 2yux s ILE 15 Cb 0.20 -0.93 0.00 0.00 0.01 0.00 0.00 42.46 41.74 2yux s ILE 15 CO 0.34 0.32 0.00 -0.67 0.00 0.00 0.00 174.94 174.92 2yux n ASP 16 N 2.84 0.00 -4.78 3.58 -0.08 -1.26 -4.98 116.55 111.87 2yux n ASP 16 Ca -0.15 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.76 2yux n ASP 16 Cb 0.55 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.97 2yux n ASP 16 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 2yux s ARG 17 N -2.00 4.21 0.34 -0.67 0.52 -1.26 -2.30 118.95 117.80 2yux s ARG 17 Ca 0.00 1.55 -0.06 0.00 -0.52 0.00 0.00 55.73 56.71 2yux s ARG 17 Cb 0.00 -2.62 0.08 0.00 0.52 0.00 0.00 34.95 32.93 2yux s ARG 17 CO 0.00 -0.11 0.38 -0.35 0.02 0.00 0.00 175.30 175.24 2yux n PRO 18 N 0.08 -1.03 -1.80 3.54 -0.04 -1.26 -4.60 135.00 129.88 2yux n PRO 18 Ca 0.04 -0.59 0.00 0.00 -0.04 0.00 0.00 63.50 62.91 2yux n PRO 18 Cb 0.49 -0.47 0.00 0.00 -0.04 0.00 0.00 33.50 33.48 2yux n PRO 18 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2yux n GLY 19 N 1.27 4.41 3.78 0.55 0.00 -1.24 -4.83 105.19 109.13 2yux n GLY 19 Ca 0.05 -1.98 -0.29 0.00 0.00 0.00 0.00 46.02 43.80 2yux n GLY 19 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yux s PRO 20 N -1.70 0.69 0.90 1.61 0.04 -1.26 -4.32 135.00 130.96 2yux s PRO 20 Ca 0.00 0.12 -0.12 0.00 0.04 0.00 0.00 61.00 61.04 2yux s PRO 20 Cb 0.00 -1.80 0.13 0.00 0.04 0.00 0.00 34.50 32.87 2yux s PRO 20 CO 0.00 -2.47 1.13 -1.25 0.04 0.00 0.00 177.00 174.45 2yux s PRO 21 N -5.40 1.22 0.06 0.56 0.04 -1.26 -4.84 135.00 125.38 2yux s PRO 21 Ca 0.67 0.31 -0.29 0.00 0.04 0.00 0.00 61.00 61.73 2yux s PRO 21 Cb -0.12 -1.85 -0.17 0.00 0.04 0.00 0.00 34.50 32.40 2yux s PRO 21 CO 0.54 -2.15 1.56 1.96 0.04 0.00 0.00 177.00 178.95 2yux h GLN 22 N -1.47 -0.56 -2.39 4.56 4.20 -1.61 -3.45 115.11 114.39 2yux h GLN 22 Ca -0.50 0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.17 2yux h GLN 22 Cb 1.33 0.13 -0.19 0.00 0.30 0.00 0.00 27.48 29.05 2yux h GLN 22 CO 0.62 -0.33 0.06 -1.50 -0.67 0.00 0.00 178.83 177.01 2yux s ILE 23 N -5.76 0.02 -0.20 2.54 2.07 -1.26 -4.97 121.20 113.64 2yux s ILE 23 Ca -0.16 -0.15 -0.02 0.00 -1.41 0.00 0.00 60.65 58.92 2yux s ILE 23 Cb 0.04 -0.91 0.06 0.00 0.13 0.00 0.00 42.46 41.77 2yux s ILE 23 CO 0.61 -0.08 0.00 -0.69 -1.91 0.00 0.00 174.94 172.87 2yux s VAL 24 N -1.50 0.84 0.39 4.00 1.01 -1.26 -0.03 120.40 123.85 2yux s VAL 24 Ca -0.10 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.21 2yux s VAL 24 Cb -0.01 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 35.08 2yux s VAL 24 CO 0.06 -0.12 0.06 -1.59 0.00 0.00 0.00 175.10 173.51 2yux s LYS 25 N 1.72 1.86 -0.34 2.72 -2.85 0.62 -4.19 119.74 119.28 2yux s LYS 25 Ca -0.02 -2.09 -0.04 0.00 -1.00 0.00 0.00 55.97 52.83 2yux s LYS 25 Cb -0.17 -1.00 0.06 0.00 -2.06 0.00 0.00 37.83 34.66 2yux s LYS 25 CO -0.07 -0.28 0.08 0.42 0.10 0.00 0.00 175.35 175.60 2yux s ILE 26 N -3.13 3.31 0.28 3.79 1.01 -1.26 0.90 121.20 126.10 2yux s ILE 26 Ca 0.28 -1.46 -0.03 0.00 0.00 0.00 0.00 60.65 59.44 2yux s ILE 26 Cb 0.06 -2.98 0.37 0.00 0.01 0.00 0.00 42.46 39.93 2yux s ILE 26 CO 0.14 -0.26 1.59 -0.08 0.00 0.00 0.00 174.94 176.32 2yux h GLU 27 N 8.08 0.04 0.00 2.79 4.22 -1.06 -3.46 114.58 125.20 2yux h GLU 27 Ca -0.20 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.24 2yux h GLU 27 Cb 1.06 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2yux h GLU 27 CO 0.59 0.03 0.00 -3.47 -2.18 0.00 0.00 179.01 173.98 2yux n ASP 28 N -5.46 0.00 -3.68 1.04 2.03 -1.22 -4.78 116.55 104.47 2yux n ASP 28 Ca 0.19 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.38 2yux n ASP 28 Cb 0.62 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.89 2yux n ASP 28 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2yux s VAL 29 N -2.00 -0.33 0.04 5.18 0.11 -1.26 0.68 120.40 122.82 2yux s VAL 29 Ca 0.00 0.21 0.05 0.00 -2.93 0.00 0.00 61.98 59.31 2yux s VAL 29 Cb 0.00 -0.48 -0.02 0.00 -1.53 0.00 0.00 36.38 34.35 2yux s VAL 29 CO 0.00 0.09 -0.14 -1.66 -3.33 0.00 0.00 175.10 170.06 2yux s TRP 30 N 2.08 1.19 0.00 1.54 -2.14 0.35 -4.64 118.94 117.33 2yux s TRP 30 Ca -0.03 -0.36 0.00 0.00 2.66 0.00 0.00 56.10 58.38 2yux s TRP 30 Cb -0.11 -0.71 0.00 0.00 -3.10 0.00 0.00 33.47 29.55 2yux s TRP 30 CO -0.10 0.03 0.00 0.41 -2.66 0.00 0.00 176.95 174.63 2yux n GLY 31 N 1.90 2.10 1.68 3.67 0.00 -1.26 0.84 105.19 114.12 2yux n GLY 31 Ca -0.18 0.35 -0.16 0.00 0.00 0.00 0.00 46.02 46.03 2yux n GLY 31 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yux n GLU 32 N 12.58 2.39 -4.37 1.61 1.02 -1.26 -4.41 120.64 128.20 2yux n GLU 32 Ca 0.00 -3.38 -0.22 0.00 -0.02 0.00 0.00 57.16 53.54 2yux n GLU 32 Cb 0.00 -2.04 -0.16 0.00 -0.02 0.00 0.00 31.44 29.22 2yux n GLU 32 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2yux s ASN 33 N -2.47 1.30 0.08 1.62 0.01 0.25 -3.51 114.94 112.20 2yux s ASN 33 Ca 0.51 -0.20 0.07 0.00 -0.71 0.00 0.00 52.86 52.52 2yux s ASN 33 Cb 0.44 -0.59 -0.04 0.00 0.41 0.00 0.00 41.25 41.47 2yux s ASN 33 CO 0.02 -0.00 -0.12 -0.69 -1.51 0.00 0.00 177.10 174.79 2yux s VAL 34 N 0.72 3.25 -0.24 1.60 1.01 -0.40 -0.49 120.40 125.85 2yux s VAL 34 Ca -0.12 -1.19 -0.04 0.00 0.00 0.00 0.00 61.98 60.63 2yux s VAL 34 Cb -0.14 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.76 2yux s VAL 34 CO 0.02 0.20 -0.02 0.00 0.00 0.00 0.00 175.10 175.30 2yux s ALA 35 N -1.11 2.85 0.06 5.51 0.00 0.21 -0.95 121.76 128.34 2yux s ALA 35 Ca 0.19 -1.25 -0.05 0.00 0.00 0.00 0.00 51.96 50.84 2yux s ALA 35 Cb -0.11 -1.78 -0.05 0.00 0.00 0.00 0.00 23.12 21.18 2yux s ALA 35 CO 0.11 -0.56 0.30 -0.51 0.00 0.00 0.00 175.76 175.09 2yux s LEU 36 N 1.46 4.33 -0.20 0.00 1.43 -0.35 -0.54 118.68 124.82 2yux s LEU 36 Ca 0.04 0.54 -0.04 0.00 -1.03 0.00 0.00 54.13 53.64 2yux s LEU 36 Cb -0.15 -2.94 0.10 0.00 0.03 0.00 0.00 46.19 43.23 2yux s LEU 36 CO -0.02 0.17 0.34 0.42 0.23 0.00 0.00 176.35 177.49 2yux s THR 37 N -1.45 -0.53 0.09 5.49 -4.23 0.26 -3.47 115.64 111.79 2yux s THR 37 Ca 0.33 0.07 0.05 0.00 -1.18 0.00 0.00 61.69 60.96 2yux s THR 37 Cb -0.13 -0.67 -0.03 0.00 1.34 0.00 0.00 72.50 73.01 2yux s THR 37 CO 0.21 -0.02 -0.13 -1.66 -0.54 0.00 0.00 174.62 172.48 2yux s TRP 38 N 2.50 1.18 0.24 3.99 -2.14 -1.11 0.23 118.94 123.83 2yux s TRP 38 Ca 0.05 -0.53 0.02 0.00 2.66 0.00 0.00 56.10 58.30 2yux s TRP 38 Cb -0.14 -0.65 -0.04 0.00 -3.10 0.00 0.00 33.47 29.55 2yux s TRP 38 CO -0.13 0.05 0.41 0.95 -2.66 0.00 0.00 176.95 175.58 2yux s THR 39 N -1.75 5.21 0.83 0.66 -4.23 0.96 -4.81 115.64 112.51 2yux s THR 39 Ca 0.02 -0.61 -0.12 0.00 -1.18 0.00 0.00 61.69 59.80 2yux s THR 39 Cb -0.07 -3.80 0.09 0.00 1.34 0.00 0.00 72.50 70.06 2yux s THR 39 CO 0.02 -0.31 1.11 -2.16 -0.54 0.00 0.00 174.62 172.74 2yux s PRO 40 N -3.75 1.78 -0.17 3.99 0.04 -1.26 -3.31 135.00 132.32 2yux s PRO 40 Ca 0.37 0.52 -0.29 0.00 0.04 0.00 0.00 61.00 61.64 2yux s PRO 40 Cb -0.10 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.53 2yux s PRO 40 CO 0.31 -1.81 1.28 -1.25 0.04 0.00 0.00 177.00 175.57 2yux s PRO 41 N -5.20 4.22 0.00 0.56 0.04 -1.26 -3.62 135.00 129.74 2yux s PRO 41 Ca 0.62 1.67 0.26 0.00 0.04 0.00 0.00 61.00 63.59 2yux s PRO 41 Cb -0.14 -3.78 0.74 0.00 0.04 0.00 0.00 34.50 31.36 2yux s PRO 41 CO 0.54 -0.73 1.56 1.63 0.04 0.00 0.00 177.00 180.04 2yux n LYS 42 N 6.66 0.60 -0.02 4.56 5.02 -1.26 -4.16 118.16 129.56 2yux n LYS 42 Ca 0.14 -0.34 -0.04 0.00 -2.02 0.00 0.00 58.31 56.05 2yux n LYS 42 Cb 0.45 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.94 2yux n LYS 42 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2yux n ASP 43 N -0.90 2.46 0.00 4.39 -0.08 -1.26 -5.00 116.55 116.16 2yux n ASP 43 Ca 0.11 0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 2yux n ASP 43 Cb 0.34 -0.10 0.00 0.00 2.34 0.00 0.00 41.12 43.69 2yux n ASP 43 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2yux n ASP 44 N -2.85 0.00 0.00 1.67 -0.08 -1.26 -4.73 116.55 109.29 2yux n ASP 44 Ca -0.09 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.19 2yux n ASP 44 Cb 0.58 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.04 2yux n ASP 44 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2yux n GLY 45 N 0.00 1.21 1.81 0.27 0.00 -1.26 -3.72 105.19 103.49 2yux n GLY 45 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2yux n GLY 45 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2yux n ASN 46 N 1.20 0.00 -4.69 1.61 4.13 -1.26 -4.97 115.26 111.28 2yux n ASN 46 Ca 0.00 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.84 2yux n ASN 46 Cb 0.00 0.01 -0.03 0.00 -1.54 0.00 0.00 39.78 38.22 2yux n ASN 46 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2yux s ALA 47 N -1.90 3.41 0.26 5.41 0.00 -0.97 -4.78 121.76 123.18 2yux s ALA 47 Ca 0.00 0.36 -0.30 0.00 0.00 0.00 0.00 51.96 52.03 2yux s ALA 47 Cb 0.00 -3.43 -0.10 0.00 0.00 0.00 0.00 23.12 19.60 2yux s ALA 47 CO 0.00 -0.61 1.31 0.00 0.00 0.00 0.00 175.76 176.46 2yux s ALA 48 N 2.02 3.52 -0.14 0.00 0.00 -1.26 -4.66 121.76 121.24 2yux s ALA 48 Ca 0.48 1.18 -0.27 0.00 0.00 0.00 0.00 51.96 53.35 2yux s ALA 48 Cb -0.18 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.45 2yux s ALA 48 CO 0.18 -0.57 0.89 0.42 0.00 0.00 0.00 175.76 176.68 2yux s ILE 49 N -0.48 4.85 -0.18 0.00 1.09 -1.26 -4.41 121.20 120.81 2yux s ILE 49 Ca 0.53 1.78 -0.21 0.00 -1.10 0.00 0.00 60.65 61.65 2yux s ILE 49 Cb -0.38 -4.20 -0.18 0.00 -1.06 0.00 0.00 42.46 36.64 2yux s ILE 49 CO 0.45 0.03 0.26 0.71 -0.10 0.00 0.00 174.94 176.28 2yux h THR 50 N 5.14 0.93 -0.45 2.92 1.35 -1.91 -3.49 112.91 117.39 2yux h THR 50 Ca -0.30 -2.02 0.00 0.00 -0.55 0.00 0.00 66.41 63.54 2yux h THR 50 Cb 1.14 2.08 0.00 0.00 -1.73 0.00 0.00 68.15 69.64 2yux h THR 50 CO 0.84 0.32 0.00 0.61 -0.25 0.00 0.00 175.52 177.04 2yux n GLY 51 N 1.50 5.41 3.25 5.82 0.00 -1.26 -4.93 105.19 114.97 2yux n GLY 51 Ca -0.24 -1.29 -0.09 0.00 0.00 0.00 0.00 46.02 44.40 2yux n GLY 51 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2yux s TYR 52 N 0.41 -0.79 0.14 1.61 2.02 -1.24 -3.38 117.35 116.12 2yux s TYR 52 Ca 0.00 1.49 -0.19 0.00 -0.37 0.00 0.00 57.07 58.00 2yux s TYR 52 Cb 0.00 0.29 -0.07 0.00 -0.40 0.00 0.00 41.96 41.77 2yux s TYR 52 CO 0.00 -0.49 0.64 0.99 -1.57 0.00 0.00 175.55 175.12 2yux s THR 53 N 2.61 4.66 0.21 -0.71 2.01 -1.26 -2.45 115.64 120.71 2yux s THR 53 Ca -0.01 1.23 0.11 0.00 0.31 0.00 0.00 61.69 63.33 2yux s THR 53 Cb -0.12 -3.89 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 2yux s THR 53 CO -0.13 0.39 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.34 2yux s ILE 54 N -1.30 2.42 -0.13 1.82 1.01 -0.83 -0.71 121.20 123.48 2yux s ILE 54 Ca 0.36 -2.10 -0.09 0.00 0.00 0.00 0.00 60.65 58.82 2yux s ILE 54 Cb -0.18 -2.19 0.04 0.00 0.01 0.00 0.00 42.46 40.14 2yux s ILE 54 CO 0.21 -0.18 0.33 -1.10 0.00 0.00 0.00 174.94 174.20 2yux s GLN 55 N -2.86 0.33 0.20 2.79 -0.21 -1.08 -2.48 119.66 116.35 2yux s GLN 55 Ca 0.23 0.58 0.08 0.00 0.02 0.00 0.00 55.36 56.27 2yux s GLN 55 Cb -0.07 0.02 -0.04 0.00 1.00 0.00 0.00 33.01 33.92 2yux s GLN 55 CO 0.11 -0.12 0.00 -1.59 -2.12 0.00 0.00 175.29 171.58 2yux s LYS 56 N 0.90 2.38 -0.07 2.91 -2.85 -1.25 -2.40 119.74 119.35 2yux s LYS 56 Ca -0.06 -1.20 -0.16 0.00 -1.00 0.00 0.00 55.97 53.55 2yux s LYS 56 Cb -0.07 -2.30 0.03 0.00 -2.06 0.00 0.00 37.83 33.43 2yux s LYS 56 CO -0.07 0.43 0.39 0.00 0.10 0.00 0.00 175.35 176.20 2yux s ALA 57 N -1.90 -0.97 0.40 0.59 0.00 0.18 -2.44 121.76 117.61 2yux s ALA 57 Ca 0.28 0.73 0.08 0.00 0.00 0.00 0.00 51.96 53.06 2yux s ALA 57 Cb -0.08 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.84 2yux s ALA 57 CO 0.19 -0.25 0.54 0.34 0.00 0.00 0.00 175.76 176.58 2yux s ASP 58 N -0.76 5.70 -0.25 0.00 -1.08 -1.26 0.28 116.67 119.31 2yux s ASP 58 Ca -0.08 -0.38 0.03 0.00 -0.52 0.00 0.00 52.55 51.59 2yux s ASP 58 Cb -0.04 -0.78 0.41 0.00 -1.46 0.00 0.00 42.92 41.05 2yux s ASP 58 CO 0.04 -0.68 1.51 0.29 0.52 0.00 0.00 175.17 176.84 2yux n LYS 59 N -1.79 1.92 -0.11 4.34 4.76 -1.24 -1.89 118.16 124.15 2yux n LYS 59 Ca 0.06 -1.79 -0.14 0.00 -2.87 0.00 0.00 58.31 53.57 2yux n LYS 59 Cb 0.59 -1.73 -0.14 0.00 -1.84 0.00 0.00 35.03 31.91 2yux n LYS 59 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 2yux n LYS 60 N -0.38 0.70 -1.03 1.97 -0.00 -1.26 -4.81 118.16 113.36 2yux n LYS 60 Ca 0.33 0.07 -0.03 0.00 -0.00 0.00 0.00 58.31 58.68 2yux n LYS 60 Cb 1.15 -1.51 -0.02 0.00 -0.00 0.00 0.00 35.03 34.66 2yux n LYS 60 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2yux n SER 61 N -2.98 -0.57 -3.91 -5.58 7.64 -1.25 -5.01 113.62 101.96 2yux n SER 61 Ca -0.38 -1.16 -0.29 0.00 1.01 0.00 0.00 58.87 58.04 2yux n SER 61 Cb 1.06 0.20 -0.02 0.00 -1.01 0.00 0.00 64.21 64.44 2yux n SER 61 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 2yux n MET 62 N -0.16 -0.67 -2.97 1.43 0.00 -0.79 -4.82 117.12 109.14 2yux n MET 62 Ca -0.14 -0.03 -0.42 0.00 -0.00 0.00 0.00 57.70 57.11 2yux n MET 62 Cb 0.53 -1.98 -0.05 0.00 0.00 0.00 0.00 33.22 31.72 2yux n MET 62 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 2yux s GLU 63 N -6.52 3.61 -0.29 2.12 2.02 -1.26 -4.88 118.70 113.50 2yux s GLU 63 Ca 0.20 0.12 -0.19 0.00 0.02 0.00 0.00 54.97 55.12 2yux s GLU 63 Cb -0.11 -3.86 -0.02 0.00 0.10 0.00 0.00 34.13 30.24 2yux s GLU 63 CO 0.71 -0.95 0.56 -1.58 0.02 0.00 0.00 175.26 174.03 2yux s TRP 64 N 3.14 3.24 -0.19 1.61 0.52 -1.26 -3.89 118.94 122.12 2yux s TRP 64 Ca 0.30 0.57 0.01 0.00 0.02 0.00 0.00 56.10 57.00 2yux s TRP 64 Cb -0.13 -2.85 0.03 0.00 -1.15 0.00 0.00 33.47 29.38 2yux s TRP 64 CO 0.19 -0.38 -0.15 -0.06 0.02 0.00 0.00 176.95 176.56 2yux s PHE 65 N 2.43 2.63 -0.46 -1.98 0.40 -1.02 -4.98 117.98 115.01 2yux s PHE 65 Ca 0.22 -1.64 -0.40 0.00 -0.60 0.00 0.00 56.93 54.52 2yux s PHE 65 Cb -0.15 -1.79 -0.17 0.00 0.51 0.00 0.00 43.02 41.42 2yux s PHE 65 CO 0.11 -0.77 1.95 2.41 0.70 0.00 0.00 175.22 179.61 2yux n THR 66 N 4.64 0.00 -0.07 0.64 -1.04 -1.26 -3.95 114.28 113.23 2yux n THR 66 Ca -0.18 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.63 2yux n THR 66 Cb 0.48 -0.45 -0.12 0.00 -1.82 0.00 0.00 70.33 68.41 2yux n THR 66 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2yux h VAL 67 N 6.37 1.12 -2.77 12.58 2.07 -1.87 -3.48 116.25 130.27 2yux h VAL 67 Ca -0.09 -2.26 -0.13 0.00 0.82 0.00 0.00 66.70 65.04 2yux h VAL 67 Cb 1.29 2.58 -0.25 0.00 -1.52 0.00 0.00 31.29 33.39 2yux h VAL 67 CO 0.99 0.47 -0.27 -0.51 0.02 0.00 0.00 177.57 178.27 2yux s ILE 68 N -2.36 -0.01 -0.08 4.57 1.10 -1.21 -5.01 121.20 118.20 2yux s ILE 68 Ca -0.25 0.02 0.00 0.00 -0.51 0.00 0.00 60.65 59.92 2yux s ILE 68 Cb 0.04 -0.55 -0.03 0.00 0.15 0.00 0.00 42.46 42.07 2yux s ILE 68 CO 0.65 0.01 -0.06 -1.61 -2.11 0.00 0.00 174.94 171.82 2yux s GLU 69 N 0.47 2.93 -0.60 3.50 2.02 -1.26 -1.96 118.70 123.79 2yux s GLU 69 Ca -0.02 -0.55 -0.23 0.00 0.02 0.00 0.00 54.97 54.19 2yux s GLU 69 Cb -0.04 -2.65 0.03 0.00 0.10 0.00 0.00 34.13 31.58 2yux s GLU 69 CO -0.02 0.58 0.64 -2.39 0.02 0.00 0.00 175.26 174.09 2yux n HIS 70 N 2.48 -2.44 -1.00 1.61 1.44 -1.26 -4.94 115.22 111.11 2yux n HIS 70 Ca -0.18 1.01 0.00 0.00 -2.01 0.00 0.00 57.72 56.55 2yux n HIS 70 Cb 0.53 -2.20 0.00 0.00 0.12 0.00 0.00 29.99 28.44 2yux n HIS 70 CO 0.00 0.00 0.00 0.98 -2.81 0.00 0.00 176.34 174.51 2yux n TYR 71 N -1.18 -2.07 0.00 -1.40 9.36 -1.03 -4.73 117.16 116.11 2yux n TYR 71 Ca -0.18 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.04 2yux n TYR 71 Cb 0.69 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.40 2yux n TYR 71 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 2yux n HIS 72 N -0.97 0.00 -0.67 2.98 8.25 -1.26 -3.70 115.22 119.85 2yux n HIS 72 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.14 2yux n HIS 72 Cb 0.00 0.15 0.17 0.00 1.12 0.00 0.00 29.99 31.44 2yux n HIS 72 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2yux n ARG 73 N -2.17 -1.23 -0.03 -0.41 5.12 -1.26 -4.83 116.66 111.86 2yux n ARG 73 Ca 0.00 -0.32 0.12 0.00 -1.93 0.00 0.00 57.85 55.72 2yux n ARG 73 Cb 0.00 -1.94 0.17 0.00 -1.16 0.00 0.00 32.46 29.53 2yux n ARG 73 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2yux n THR 74 N -4.27 0.07 -3.90 0.55 -2.24 -1.26 -4.87 114.28 98.37 2yux n THR 74 Ca 0.05 -0.51 -0.11 0.00 -2.27 0.00 0.00 64.05 61.21 2yux n THR 74 Cb 0.56 1.30 -0.13 0.00 -2.10 0.00 0.00 70.33 69.97 2yux n THR 74 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2yux s SER 75 N -1.92 0.06 0.13 3.42 1.04 -1.26 -2.76 113.70 112.40 2yux s SER 75 Ca 0.31 -0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.63 2yux s SER 75 Cb 0.20 0.03 -0.04 0.00 0.10 0.00 0.00 66.02 66.31 2yux s SER 75 CO 0.31 -0.08 -0.02 0.00 0.98 0.00 0.00 173.24 174.43 2yux s ALA 76 N -0.37 1.07 -0.31 5.32 0.00 -1.23 -4.98 121.76 121.27 2yux s ALA 76 Ca -0.04 -1.45 0.01 0.00 0.00 0.00 0.00 51.96 50.48 2yux s ALA 76 Cb -0.03 0.40 0.07 0.00 0.00 0.00 0.00 23.12 23.57 2yux s ALA 76 CO -0.00 -0.31 0.01 0.99 0.00 0.00 0.00 175.76 176.45 2yux s THR 77 N -3.71 2.67 0.33 0.00 2.01 -1.26 -1.21 115.64 114.46 2yux s THR 77 Ca 0.18 -1.76 -0.28 0.00 0.31 0.00 0.00 61.69 60.14 2yux s THR 77 Cb 0.06 -2.68 -0.09 0.00 0.01 0.00 0.00 72.50 69.80 2yux s THR 77 CO -0.01 -0.28 1.10 -0.63 -0.69 0.00 0.00 174.62 174.11 2yux s ILE 78 N 1.12 3.47 0.39 1.82 -1.09 -0.12 -4.84 121.20 121.95 2yux s ILE 78 Ca -0.01 1.36 0.04 0.00 -2.23 0.00 0.00 60.65 59.81 2yux s ILE 78 Cb -0.20 -3.82 -0.03 0.00 -1.58 0.00 0.00 42.46 36.83 2yux s ILE 78 CO -0.04 0.23 0.14 0.42 -1.23 0.00 0.00 174.94 174.46 2yux s THR 79 N -1.32 0.55 -0.90 2.92 -4.23 -1.26 -1.27 115.64 110.12 2yux s THR 79 Ca 0.50 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.95 2yux s THR 79 Cb -0.30 -2.40 -0.06 0.00 1.34 0.00 0.00 72.50 71.09 2yux s THR 79 CO 0.38 0.00 0.79 -0.62 -0.54 0.00 0.00 174.62 174.63 2yux n GLU 80 N -0.84 -1.96 -5.26 3.99 1.02 -1.23 -5.01 120.64 111.36 2yux n GLU 80 Ca -0.04 0.75 -0.31 0.00 -0.02 0.00 0.00 57.16 57.54 2yux n GLU 80 Cb 0.65 -5.23 -0.16 0.00 -0.02 0.00 0.00 31.44 26.68 2yux n GLU 80 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2yux s LEU 81 N -5.06 2.11 -0.08 -4.62 1.43 -1.25 -5.11 118.68 106.11 2yux s LEU 81 Ca 0.39 -0.45 -0.23 0.00 -1.03 0.00 0.00 54.13 52.81 2yux s LEU 81 Cb -0.05 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 44.78 2yux s LEU 81 CO 0.64 0.32 0.70 -0.69 0.23 0.00 0.00 176.35 177.55 2yux s VAL 82 N -0.63 5.04 -0.06 -1.59 1.01 -1.26 -4.68 120.40 118.23 2yux s VAL 82 Ca 0.10 1.43 -0.30 0.00 0.00 0.00 0.00 61.98 63.22 2yux s VAL 82 Cb -0.10 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 2yux s VAL 82 CO -0.01 0.23 1.44 -0.63 0.00 0.00 0.00 175.10 176.13 2yux s ILE 83 N 0.94 3.83 0.00 2.22 1.01 -1.26 -3.72 121.20 124.21 2yux s ILE 83 Ca 0.37 1.10 0.00 0.00 0.00 0.00 0.00 60.65 62.12 2yux s ILE 83 Cb -0.17 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.58 2yux s ILE 83 CO 0.17 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.67 2yux n GLY 84 N 3.78 0.67 3.55 6.18 0.00 -1.22 -5.07 105.19 113.08 2yux n GLY 84 Ca 0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.10 2yux n GLY 84 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2yux s ASN 85 N -0.91 -0.25 0.31 1.61 0.01 -1.24 -5.02 114.94 109.43 2yux s ASN 85 Ca 0.00 -0.02 0.08 0.00 -0.71 0.00 0.00 52.86 52.21 2yux s ASN 85 Cb 0.00 0.28 -0.04 0.00 0.41 0.00 0.00 41.25 41.90 2yux s ASN 85 CO 0.00 -0.46 0.16 -1.83 -1.51 0.00 0.00 177.10 173.46 2yux s GLU 86 N -2.81 2.54 0.02 -0.60 -1.05 -1.26 -2.48 118.70 113.07 2yux s GLU 86 Ca 0.07 -1.37 -0.11 0.00 -0.15 0.00 0.00 54.97 53.41 2yux s GLU 86 Cb -0.01 -2.32 0.01 0.00 -0.44 0.00 0.00 34.13 31.38 2yux s GLU 86 CO -0.07 0.21 0.23 0.71 0.95 0.00 0.00 175.26 177.30 2yux s TYR 87 N -2.32 -0.03 0.15 4.83 2.02 -0.92 -3.73 117.35 117.35 2yux s TYR 87 Ca 0.36 -0.09 0.08 0.00 -0.37 0.00 0.00 57.07 57.05 2yux s TYR 87 Cb -0.05 0.02 -0.04 0.00 -0.40 0.00 0.00 41.96 41.49 2yux s TYR 87 CO 0.23 -0.41 -0.12 0.71 -1.57 0.00 0.00 175.55 174.39 2yux s TYR 88 N -2.13 2.63 0.05 2.71 2.02 0.14 -1.55 117.35 121.23 2yux s TYR 88 Ca -0.08 -0.22 -0.08 0.00 -0.37 0.00 0.00 57.07 56.32 2yux s TYR 88 Cb -0.03 -1.33 -0.00 0.00 -0.40 0.00 0.00 41.96 40.20 2yux s TYR 88 CO -0.01 0.46 0.16 -0.06 -1.57 0.00 0.00 175.55 174.53 2yux s PHE 89 N -1.47 0.14 -0.27 2.71 0.40 -1.26 -0.65 117.98 117.58 2yux s PHE 89 Ca 0.22 -0.44 -0.19 0.00 -0.60 0.00 0.00 56.93 55.92 2yux s PHE 89 Cb -0.10 -0.08 0.08 0.00 0.51 0.00 0.00 43.02 43.43 2yux s PHE 89 CO 0.14 -0.44 0.69 -0.98 0.70 0.00 0.00 175.22 175.34 2yux s ARG 90 N -2.94 0.75 0.03 0.44 1.70 -1.01 -1.88 118.95 116.05 2yux s ARG 90 Ca -0.02 1.13 -0.03 0.00 -0.47 0.00 0.00 55.73 56.34 2yux s ARG 90 Cb 0.01 0.24 -0.04 0.00 -0.57 0.00 0.00 34.95 34.58 2yux s ARG 90 CO -0.06 -0.13 0.23 0.08 -1.08 0.00 0.00 175.30 174.34 2yux s VAL 91 N 1.15 5.37 0.10 4.99 1.01 -1.25 -2.62 120.40 129.16 2yux s VAL 91 Ca -0.06 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.78 2yux s VAL 91 Cb -0.05 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.76 2yux s VAL 91 CO -0.12 0.25 0.06 0.49 0.00 0.00 0.00 175.10 175.78 2yux n PHE 92 N 0.70 -0.98 -3.81 5.22 3.01 0.12 -3.20 117.46 118.51 2yux n PHE 92 Ca -0.08 -0.45 -0.30 0.00 1.01 0.00 0.00 57.45 57.63 2yux n PHE 92 Cb 0.52 -0.08 -0.14 0.00 -0.01 0.00 0.00 39.48 39.78 2yux n PHE 92 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2yux s SER 93 N -1.59 3.95 0.58 4.37 0.01 -1.26 -4.20 113.70 115.56 2yux s SER 93 Ca 0.05 -2.67 -0.20 0.00 1.31 0.00 0.00 55.95 54.44 2yux s SER 93 Cb -0.00 -1.26 -0.04 0.00 0.21 0.00 0.00 66.02 64.93 2yux s SER 93 CO 0.03 -0.27 1.25 -1.61 0.41 0.00 0.00 173.24 173.05 2yux s GLU 94 N 0.25 3.02 0.19 12.44 0.41 -1.22 -3.80 118.70 129.98 2yux s GLU 94 Ca 0.17 1.94 -0.23 0.00 -0.41 0.00 0.00 54.97 56.44 2yux s GLU 94 Cb -0.24 -2.03 0.07 0.00 -1.78 0.00 0.00 34.13 30.15 2yux s GLU 94 CO -0.02 -1.20 1.01 0.54 -0.49 0.00 0.00 175.26 175.10 2yux s ASN 95 N -1.41 -0.04 -0.16 -0.19 4.22 -1.26 -3.01 114.94 113.08 2yux s ASN 95 Ca 0.76 -0.63 0.05 0.00 -2.14 0.00 0.00 52.86 50.89 2yux s ASN 95 Cb -0.33 0.52 0.37 0.00 1.28 0.00 0.00 41.25 43.08 2yux s ASN 95 CO 0.37 -1.01 1.27 1.15 -2.04 0.00 0.00 177.10 176.84 2yux n MET 96 N -0.63 2.32 0.00 3.55 0.00 -1.26 -3.88 117.12 117.22 2yux n MET 96 Ca -0.04 -1.51 0.00 0.00 0.00 0.00 0.00 57.70 56.15 2yux n MET 96 Cb 0.60 -1.74 0.00 0.00 0.00 0.00 0.00 33.22 32.08 2yux n MET 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2yux n GLY 98 N 2.81 3.35 3.39 0.00 0.00 -1.25 -5.11 105.19 108.37 2yux n GLY 98 Ca 0.00 -0.56 -0.33 0.00 0.00 0.00 0.00 46.02 45.12 2yux n GLY 98 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2yux n LEU 99 N 0.00 -0.56 -4.72 0.99 7.99 -1.26 -4.53 117.00 114.90 2yux n LEU 99 Ca 0.00 0.33 -0.42 0.00 -0.01 0.00 0.00 56.01 55.91 2yux n LEU 99 Cb 0.00 -1.18 -0.03 0.00 -0.11 0.00 0.00 43.42 42.10 2yux n LEU 99 CO 0.00 -3.77 0.92 -0.94 -1.51 0.00 0.00 177.39 172.09 2yux s SER 100 N -1.93 7.02 0.37 -1.43 1.04 -1.25 -4.90 113.70 112.63 2yux s SER 100 Ca 0.56 2.18 0.14 0.00 0.48 0.00 0.00 55.95 59.31 2yux s SER 100 Cb -0.21 -2.59 0.97 0.00 0.10 0.00 0.00 66.02 64.28 2yux s SER 100 CO 0.68 -0.47 1.80 -0.33 0.98 0.00 0.00 173.24 175.90 2yux h GLU 101 N 6.14 0.51 -4.74 4.02 5.08 -1.89 -3.41 114.58 120.28 2yux h GLU 101 Ca -0.43 -0.03 -0.28 0.00 -1.00 0.00 0.00 59.36 57.62 2yux h GLU 101 Cb 1.21 -0.12 -0.18 0.00 0.50 0.00 0.00 28.75 30.16 2yux h GLU 101 CO 0.79 0.34 -0.72 0.16 -1.00 0.00 0.00 179.01 178.58 2yux s ASP 102 N -5.45 1.15 0.12 1.42 1.47 -1.26 -5.16 116.67 108.96 2yux s ASP 102 Ca -0.09 -0.77 0.06 0.00 1.18 0.00 0.00 52.55 52.93 2yux s ASP 102 Cb 0.24 0.04 -0.04 0.00 -0.34 0.00 0.00 42.92 42.83 2yux s ASP 102 CO 0.79 -0.29 -0.15 0.00 0.68 0.00 0.00 175.17 176.20 2yux s ALA 103 N -2.37 1.59 -0.71 2.11 0.00 -1.26 -4.29 121.76 116.83 2yux s ALA 103 Ca 0.01 -1.30 -0.27 0.00 0.00 0.00 0.00 51.96 50.41 2yux s ALA 103 Cb -0.03 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 22.99 2yux s ALA 103 CO -0.01 0.15 1.42 0.99 0.00 0.00 0.00 175.76 178.31 2yux s THR 104 N -1.97 3.63 0.34 0.00 2.01 -1.19 -4.88 115.64 113.57 2yux s THR 104 Ca 0.09 0.36 -0.26 0.00 0.31 0.00 0.00 61.69 62.19 2yux s THR 104 Cb -0.06 -4.68 -0.10 0.00 0.01 0.00 0.00 72.50 67.67 2yux s THR 104 CO 0.04 -1.63 0.97 -0.32 -0.69 0.00 0.00 174.62 172.99 2yux s MET 105 N 6.06 4.49 -0.09 4.92 1.75 -1.26 -3.76 119.30 131.41 2yux s MET 105 Ca 0.43 1.37 -0.33 0.00 -1.25 0.00 0.00 55.69 55.91 2yux s MET 105 Cb -0.09 -2.74 -0.11 0.00 2.84 0.00 0.00 34.83 34.73 2yux s MET 105 CO 0.16 0.18 1.92 0.25 -0.65 0.00 0.00 175.02 176.89 2yux n THR 106 N 0.41 0.60 -0.62 10.11 -2.24 -0.79 -4.77 114.28 116.97 2yux n THR 106 Ca 0.03 -0.13 0.49 0.00 -2.27 0.00 0.00 64.05 62.17 2yux n THR 106 Cb 0.50 -1.97 0.79 0.00 -2.10 0.00 0.00 70.33 67.55 2yux n THR 106 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2yux h LYS 107 N 9.79 0.01 0.00 -0.78 1.79 -1.93 -3.40 116.57 122.05 2yux h LYS 107 Ca -0.48 -0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 57.51 2yux h LYS 107 Cb 1.27 -0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.81 2yux h LYS 107 CO 0.95 0.01 -0.41 -0.85 -1.08 0.00 0.00 179.45 178.07 2yux n GLU 108 N -4.09 0.60 -4.08 3.15 0.28 -1.26 -5.17 120.64 110.06 2yux n GLU 108 Ca 0.41 -3.03 -0.23 0.00 -0.16 0.00 0.00 57.16 54.15 2yux n GLU 108 Cb 1.84 1.71 -0.06 0.00 1.43 0.00 0.00 31.44 36.36 2yux n GLU 108 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 2yux s SER 109 N -3.20 4.62 -0.34 -1.84 1.04 -1.26 -4.82 113.70 107.90 2yux s SER 109 Ca 0.20 -0.85 -0.15 0.00 0.48 0.00 0.00 55.95 55.62 2yux s SER 109 Cb 0.01 -0.65 -0.01 0.00 0.10 0.00 0.00 66.02 65.47 2yux s SER 109 CO 0.14 -0.37 0.38 0.00 0.98 0.00 0.00 173.24 174.36 2yux s ALA 110 N -2.47 3.50 -0.26 5.32 0.00 -0.59 -4.88 121.76 122.37 2yux s ALA 110 Ca 0.39 -1.15 -0.10 0.00 0.00 0.00 0.00 51.96 51.09 2yux s ALA 110 Cb -0.01 -2.83 -0.05 0.00 0.00 0.00 0.00 23.12 20.24 2yux s ALA 110 CO 0.23 -1.05 0.16 0.08 0.00 0.00 0.00 175.76 175.18 2yux s VAL 111 N 2.06 5.14 -0.12 0.00 1.01 -1.26 -2.16 120.40 125.08 2yux s VAL 111 Ca 0.13 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.92 2yux s VAL 111 Cb -0.16 -3.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.77 2yux s VAL 111 CO 0.12 0.29 1.06 -0.63 0.00 0.00 0.00 175.10 175.94 2yux s ILE 112 N 1.55 4.64 0.00 2.22 -1.09 -1.04 -4.85 121.20 122.63 2yux s ILE 112 Ca 0.07 1.93 0.00 0.00 -2.23 0.00 0.00 60.65 60.42 2yux s ILE 112 Cb -0.15 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.49 2yux s ILE 112 CO 0.08 -0.03 0.47 0.00 -1.23 0.00 0.00 174.94 174.23 2yux n ALA 113 N 5.30 1.59 -1.94 9.38 0.00 -1.26 -3.44 120.51 130.14 2yux n ALA 113 Ca 0.10 -0.47 -0.18 0.00 0.00 0.00 0.00 53.44 52.89 2yux n ALA 113 Cb 0.48 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.88 2yux n ALA 113 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2yux n ARG 114 N -0.10 -1.62 -3.97 0.00 0.63 -1.26 -4.93 116.66 105.40 2yux n ARG 114 Ca 0.00 0.96 -0.30 0.00 -0.92 0.00 0.00 57.85 57.59 2yux n ARG 114 Cb 0.17 -5.44 -0.16 0.00 0.45 0.00 0.00 32.46 27.49 2yux n ARG 114 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 2yux s ASP 115 N -2.29 3.70 -0.26 6.15 -1.08 -1.26 -4.60 116.67 117.03 2yux s ASP 115 Ca 0.00 -1.07 -0.19 0.00 -0.52 0.00 0.00 52.55 50.77 2yux s ASP 115 Cb 0.00 -1.23 -0.02 0.00 -1.46 0.00 0.00 42.92 40.21 2yux s ASP 115 CO 0.00 -0.19 0.59 -0.83 0.52 0.00 0.00 175.17 175.25 2yux s GLY 116 N 1.38 1.83 0.28 2.66 0.00 -1.26 -4.72 107.32 107.48 2yux s GLY 116 Ca -0.04 -0.49 0.00 0.00 0.00 0.00 0.00 44.72 44.19 2yux s GLY 116 CO -0.07 1.37 0.01 0.28 0.00 0.00 0.00 173.10 174.68 2yux n LYS 117 N 5.63 1.28 -3.94 2.90 4.76 -1.26 -5.10 118.16 122.43 2yux n LYS 117 Ca -0.02 -2.03 -0.30 0.00 -2.87 0.00 0.00 58.31 53.08 2yux n LYS 117 Cb 0.49 0.58 -0.14 0.00 -1.84 0.00 0.00 35.03 34.13 2yux n LYS 117 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2yux s ILE 118 N -2.04 2.64 -0.55 -0.18 1.01 -1.26 -4.91 121.20 115.91 2yux s ILE 118 Ca 0.01 -3.33 0.06 0.00 0.00 0.00 0.00 60.65 57.40 2yux s ILE 118 Cb 0.00 -2.83 0.42 0.00 0.01 0.00 0.00 42.46 40.06 2yux s ILE 118 CO 0.01 -0.81 1.21 -1.22 0.00 0.00 0.00 174.94 174.13 2yux n TYR 119 N 3.10 1.18 -0.33 3.97 4.01 -1.26 -5.23 117.16 122.59 2yux n TYR 119 Ca 0.05 -0.51 0.00 0.00 -0.16 0.00 0.00 57.90 57.28 2yux n TYR 119 Cb 0.32 -0.36 0.00 0.00 -0.31 0.00 0.00 39.34 38.99 2yux n TYR 119 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57