#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 -7.97 -3.26 1.61 2.88 -1.26 -5.06 113.62 100.56 2yux n SER 2 Ca 0.00 1.11 0.03 0.00 -1.33 0.00 0.00 58.87 58.68 2yux n SER 2 Cb 0.00 -4.10 -0.02 0.00 -0.75 0.00 0.00 64.21 59.34 2yux n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2yux s SER 3 N -1.30 -1.28 0.00 -3.46 0.01 -1.26 -5.15 113.70 101.27 2yux s SER 3 Ca 0.00 0.99 0.00 0.00 1.31 0.00 0.00 55.95 58.25 2yux s SER 3 Cb 0.00 2.15 0.00 0.00 0.21 0.00 0.00 66.02 68.38 2yux s SER 3 CO 0.00 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.02 2yux n GLY 4 N 5.43 2.16 3.60 3.44 0.00 -1.26 -5.17 105.19 113.40 2yux n GLY 4 Ca -0.04 -0.41 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 2yux n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yux s SER 5 N 2.00 4.53 -0.05 1.61 0.15 -1.26 -5.13 113.70 115.54 2yux s SER 5 Ca 0.00 -0.37 -0.11 0.00 0.70 0.00 0.00 55.95 56.17 2yux s SER 5 Cb 0.00 -0.90 0.02 0.00 -1.71 0.00 0.00 66.02 63.43 2yux s SER 5 CO 0.00 0.16 0.26 -0.55 1.20 0.00 0.00 173.24 174.30 2yux s SER 6 N -2.38 -0.19 0.00 5.45 0.15 -1.26 -5.15 113.70 110.33 2yux s SER 6 Ca 0.23 0.26 0.00 0.00 0.70 0.00 0.00 55.95 57.14 2yux s SER 6 Cb -0.11 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 2yux s SER 6 CO 0.15 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.95 2yux n GLY 7 N 2.15 -1.58 3.54 9.45 0.00 -1.26 -4.87 105.19 112.62 2yux n GLY 7 Ca -0.17 -0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 2yux n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2yux n ALA 8 N -3.00 -2.58 -2.63 4.61 0.00 -1.26 -4.93 120.51 110.73 2yux n ALA 8 Ca 0.00 -0.17 -0.39 0.00 0.00 0.00 0.00 53.44 52.89 2yux n ALA 8 Cb 0.00 -3.25 -0.09 0.00 0.00 0.00 0.00 19.45 16.11 2yux n ALA 8 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2yux s SER 9 N -3.29 6.28 -0.23 0.00 0.15 -1.26 -5.05 113.70 110.30 2yux s SER 9 Ca 0.31 0.33 -0.00 0.00 0.70 0.00 0.00 55.95 57.28 2yux s SER 9 Cb -0.10 -2.21 0.03 0.00 -1.71 0.00 0.00 66.02 62.03 2yux s SER 9 CO 0.84 -0.14 -0.10 -0.51 1.20 0.00 0.00 173.24 174.53 2yux s ILE 10 N 1.80 2.59 -0.26 6.45 2.07 -1.26 -5.06 121.20 127.53 2yux s ILE 10 Ca 0.15 -1.08 -0.02 0.00 -1.41 0.00 0.00 60.65 58.29 2yux s ILE 10 Cb -0.15 -2.29 0.12 0.00 0.13 0.00 0.00 42.46 40.26 2yux s ILE 10 CO 0.09 0.25 0.27 -1.81 -1.91 0.00 0.00 174.94 171.83 2yux s ASP 11 N 1.29 1.50 -0.05 4.50 1.01 -1.26 -5.00 116.67 118.65 2yux s ASP 11 Ca 0.00 -0.49 -0.05 0.00 0.71 0.00 0.00 52.55 52.72 2yux s ASP 11 Cb -0.16 0.50 0.01 0.00 1.01 0.00 0.00 42.92 44.27 2yux s ASP 11 CO -0.07 -0.36 0.08 -0.38 0.21 0.00 0.00 175.17 174.65 2yux n ILE 12 N 5.32 -2.06 -3.69 0.77 5.41 -1.26 -4.96 119.36 118.88 2yux n ILE 12 Ca -0.04 0.41 -0.26 0.00 1.00 0.00 0.00 62.75 63.86 2yux n ILE 12 Cb 0.48 -2.83 -0.17 0.00 -0.71 0.00 0.00 39.64 36.41 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 -1.09 0.40 0.00 0.38 -0.21 -1.26 -5.12 119.66 112.75 2yux s GLN 13 Ca 0.05 -0.22 0.00 0.00 0.02 0.00 0.00 55.36 55.21 2yux s GLN 13 Cb -0.00 -1.85 0.00 0.00 1.00 0.00 0.00 33.01 32.15 2yux s GLN 13 CO 0.10 -0.61 0.00 -0.89 -2.12 0.00 0.00 175.29 171.77 2yux n ILE 14 N 5.15 0.00 -2.18 1.08 5.41 -1.26 -5.09 119.36 122.47 2yux n ILE 14 Ca -0.08 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.26 2yux n ILE 14 Cb 0.48 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.38 2yux n ILE 14 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 176.55 176.82 2yux s ILE 15 N 2.08 3.06 0.00 1.39 -4.36 -1.26 -4.61 121.20 117.49 2yux s ILE 15 Ca 0.00 0.91 0.00 0.00 -0.26 0.00 0.00 60.65 61.30 2yux s ILE 15 Cb 0.00 -3.58 0.00 0.00 1.25 0.00 0.00 42.46 40.13 2yux s ILE 15 CO 0.00 0.15 0.75 0.47 0.24 0.00 0.00 174.94 176.55 2yux n ASP 16 N 2.24 0.00 -1.32 4.36 8.00 -1.26 -5.05 116.55 123.52 2yux n ASP 16 Ca 0.05 -1.55 0.15 0.00 0.71 0.00 0.00 54.79 54.15 2yux n ASP 16 Cb 0.42 -0.11 -0.08 0.00 -0.02 0.00 0.00 41.12 41.33 2yux n ASP 16 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2yux n ARG 17 N 0.00 -2.85 0.00 -1.24 1.74 -1.26 -4.90 116.66 108.15 2yux n ARG 17 Ca 0.00 2.30 0.00 0.00 -0.77 0.00 0.00 57.85 59.38 2yux n ARG 17 Cb 0.61 -3.42 0.00 0.00 -1.02 0.00 0.00 32.46 28.63 2yux n ARG 17 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2yux n PRO 18 N -4.15 0.48 -4.11 5.56 -0.04 -1.26 -4.48 135.00 127.01 2yux n PRO 18 Ca -0.07 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.28 2yux n PRO 18 Cb 0.60 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.96 2yux n PRO 18 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2yux s GLY 19 N -1.61 0.58 0.98 0.55 0.00 -1.26 -4.97 107.32 101.59 2yux s GLY 19 Ca 0.00 -1.11 -0.14 0.00 0.00 0.00 0.00 44.72 43.47 2yux s GLY 19 CO 0.00 -1.20 1.17 2.56 0.00 0.00 0.00 173.10 175.63 2yux s PRO 20 N -3.10 0.59 0.08 2.90 0.04 -1.26 -4.63 135.00 129.62 2yux s PRO 20 Ca 0.03 0.08 -0.30 0.00 0.04 0.00 0.00 61.00 60.85 2yux s PRO 20 Cb 0.01 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.70 2yux s PRO 20 CO -0.04 -2.53 1.16 -1.25 0.04 0.00 0.00 177.00 174.38 2yux s PRO 21 N -5.43 4.47 0.28 0.56 0.04 -1.26 -4.50 135.00 129.16 2yux s PRO 21 Ca 0.67 1.73 -0.04 0.00 0.04 0.00 0.00 61.00 63.40 2yux s PRO 21 Cb -0.12 -3.34 0.57 0.00 0.04 0.00 0.00 34.50 31.65 2yux s PRO 21 CO 0.54 -0.18 1.59 1.96 0.04 0.00 0.00 177.00 180.95 2yux h GLN 22 N 6.49 0.04 -3.36 4.56 4.20 -1.67 -3.43 115.11 121.93 2yux h GLN 22 Ca -0.42 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.26 2yux h GLN 22 Cb 1.21 -0.01 -0.11 0.00 0.30 0.00 0.00 27.48 28.88 2yux h GLN 22 CO 0.79 0.03 -0.01 -1.50 -0.67 0.00 0.00 178.83 177.47 2yux s ILE 23 N -6.11 0.03 -0.07 2.54 -1.16 -1.26 -4.99 121.20 110.19 2yux s ILE 23 Ca -0.14 -0.80 -0.03 0.00 -0.51 0.00 0.00 60.65 59.18 2yux s ILE 23 Cb 0.26 -1.55 0.04 0.00 0.61 0.00 0.00 42.46 41.82 2yux s ILE 23 CO 0.77 -0.15 0.07 -0.69 -2.81 0.00 0.00 174.94 172.12 2yux s VAL 24 N -3.87 -0.10 0.36 4.00 1.01 -1.26 -1.22 120.40 119.32 2yux s VAL 24 Ca 0.09 0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.42 2yux s VAL 24 Cb -0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 36.38 36.08 2yux s VAL 24 CO -0.04 0.09 0.06 -1.59 0.00 0.00 0.00 175.10 173.62 2yux s LYS 25 N 2.16 1.77 -0.33 2.72 -2.85 0.53 -4.52 119.74 119.21 2yux s LYS 25 Ca 0.04 -2.01 -0.00 0.00 -1.00 0.00 0.00 55.97 53.00 2yux s LYS 25 Cb -0.13 -0.93 0.08 0.00 -2.06 0.00 0.00 37.83 34.78 2yux s LYS 25 CO -0.04 -0.24 0.05 0.42 0.10 0.00 0.00 175.35 175.63 2yux s ILE 26 N -3.20 2.82 0.30 3.79 1.09 -1.26 0.20 121.20 124.93 2yux s ILE 26 Ca 0.32 -1.77 -0.00 0.00 -1.10 0.00 0.00 60.65 58.10 2yux s ILE 26 Cb 0.07 -2.79 0.39 0.00 -1.06 0.00 0.00 42.46 39.08 2yux s ILE 26 CO 0.15 -0.34 1.58 -0.08 -0.10 0.00 0.00 174.94 176.15 2yux h GLU 27 N 7.91 0.03 0.00 2.79 4.22 -0.40 -3.45 114.58 125.67 2yux h GLU 27 Ca -0.16 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.28 2yux h GLU 27 Cb 1.05 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2yux h GLU 27 CO 0.56 0.02 0.00 -3.47 -2.18 0.00 0.00 179.01 173.94 2yux n ASP 28 N -5.47 0.00 -3.68 1.04 2.03 -1.19 -4.99 116.55 104.30 2yux n ASP 28 Ca 0.21 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.40 2yux n ASP 28 Cb 0.69 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.97 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 -0.08 5.18 0.11 -1.26 0.14 120.40 122.16 2yux s VAL 29 Ca 0.00 0.23 0.04 0.00 -2.93 0.00 0.00 61.98 59.31 2yux s VAL 29 Cb 0.00 -0.46 0.00 0.00 -1.53 0.00 0.00 36.38 34.39 2yux s VAL 29 CO 0.00 0.10 -0.19 -1.66 -3.33 0.00 0.00 175.10 170.01 2yux s TRP 30 N 2.11 2.09 0.00 1.54 -2.14 0.22 -4.77 118.94 117.99 2yux s TRP 30 Ca -0.02 -0.80 0.00 0.00 2.66 0.00 0.00 56.10 57.94 2yux s TRP 30 Cb -0.11 -1.43 0.00 0.00 -3.10 0.00 0.00 33.47 28.82 2yux s TRP 30 CO -0.09 -0.34 0.00 0.41 -2.66 0.00 0.00 176.95 174.27 2yux n GLY 31 N 3.56 2.03 2.29 3.67 0.00 -1.26 0.17 105.19 115.64 2yux n GLY 31 Ca -0.20 0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 12.77 2.52 -3.81 1.61 1.02 -1.26 -4.47 120.64 129.02 2yux n GLU 32 Ca 0.00 -2.95 -0.14 0.00 -0.02 0.00 0.00 57.16 54.05 2yux n GLU 32 Cb 0.00 -2.15 -0.15 0.00 -0.02 0.00 0.00 31.44 29.11 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 -1.35 0.04 0.08 1.62 0.01 0.44 -3.89 114.94 111.90 2yux s ASN 33 Ca 0.57 0.03 0.09 0.00 -0.71 0.00 0.00 52.86 52.84 2yux s ASN 33 Cb 0.45 -0.04 -0.03 0.00 0.41 0.00 0.00 41.25 42.04 2yux s ASN 33 CO -0.04 -0.08 -0.23 -0.69 -1.51 0.00 0.00 177.10 174.55 2yux s VAL 34 N 0.69 1.86 -0.21 1.60 1.01 0.01 0.68 120.40 126.04 2yux s VAL 34 Ca -0.06 -1.44 -0.01 0.00 0.00 0.00 0.00 61.98 60.48 2yux s VAL 34 Cb -0.08 -1.64 0.02 0.00 0.00 0.00 0.00 36.38 34.68 2yux s VAL 34 CO -0.02 0.12 -0.13 0.00 0.00 0.00 0.00 175.10 175.08 2yux s ALA 35 N -0.96 2.54 0.05 5.51 0.00 0.38 -0.38 121.76 128.91 2yux s ALA 35 Ca 0.09 -1.29 -0.01 0.00 0.00 0.00 0.00 51.96 50.75 2yux s ALA 35 Cb -0.10 -1.44 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 2yux s ALA 35 CO 0.03 -0.51 0.22 -0.51 0.00 0.00 0.00 175.76 174.99 2yux s LEU 36 N 1.33 4.35 -0.24 0.00 1.43 -1.16 0.29 118.68 124.69 2yux s LEU 36 Ca 0.03 0.32 -0.03 0.00 -1.03 0.00 0.00 54.13 53.43 2yux s LEU 36 Cb -0.14 -2.93 0.12 0.00 0.03 0.00 0.00 46.19 43.27 2yux s LEU 36 CO -0.08 0.18 0.33 0.42 0.23 0.00 0.00 176.35 177.42 2yux s THR 37 N -1.49 -0.51 0.15 5.49 -4.23 0.54 -3.76 115.64 111.83 2yux s THR 37 Ca 0.34 -0.14 0.11 0.00 -1.18 0.00 0.00 61.69 60.82 2yux s THR 37 Cb -0.13 -0.80 -0.04 0.00 1.34 0.00 0.00 72.50 72.87 2yux s THR 37 CO 0.26 -0.19 -0.25 -1.66 -0.54 0.00 0.00 174.62 172.24 2yux s TRP 38 N 2.47 2.33 0.41 3.99 -2.14 -1.20 0.20 118.94 124.99 2yux s TRP 38 Ca 0.11 -0.36 -0.01 0.00 2.66 0.00 0.00 56.10 58.49 2yux s TRP 38 Cb -0.15 -1.22 -0.03 0.00 -3.10 0.00 0.00 33.47 28.97 2yux s TRP 38 CO -0.17 0.39 0.65 0.95 -2.66 0.00 0.00 176.95 176.11 2yux s THR 39 N -1.26 4.84 0.68 0.66 -4.23 -0.36 -4.84 115.64 111.13 2yux s THR 39 Ca 0.16 -0.25 -0.11 0.00 -1.18 0.00 0.00 61.69 60.31 2yux s THR 39 Cb -0.09 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 69.95 2yux s THR 39 CO 0.08 -0.61 1.06 -2.16 -0.54 0.00 0.00 174.62 172.44 2yux s PRO 40 N -4.50 3.00 0.27 3.99 0.04 -1.26 -3.65 135.00 132.89 2yux s PRO 40 Ca 0.44 0.99 -0.30 0.00 0.04 0.00 0.00 61.00 62.17 2yux s PRO 40 Cb -0.10 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 2yux s PRO 40 CO 0.39 -1.05 1.08 -1.25 0.04 0.00 0.00 177.00 176.22 2yux s PRO 41 N -4.91 4.66 0.11 0.56 0.04 -1.26 -3.90 135.00 130.31 2yux s PRO 41 Ca 0.59 1.77 0.25 0.00 0.04 0.00 0.00 61.00 63.65 2yux s PRO 41 Cb -0.14 -3.20 0.56 0.00 0.04 0.00 0.00 34.50 31.75 2yux s PRO 41 CO 0.52 0.24 1.50 1.63 0.04 0.00 0.00 177.00 180.93 2yux n LYS 42 N 1.27 0.22 -2.65 4.56 5.02 -1.26 -4.87 118.16 120.44 2yux n LYS 42 Ca -0.01 0.10 -0.15 0.00 -2.02 0.00 0.00 58.31 56.23 2yux n LYS 42 Cb 0.45 -1.67 0.02 0.00 -0.02 0.00 0.00 35.03 33.81 2yux n LYS 42 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2yux n ASP 43 N -2.01 1.76 0.00 4.39 5.68 -1.26 -5.05 116.55 120.06 2yux n ASP 43 Ca 0.04 -2.11 0.00 0.00 -0.50 0.00 0.00 54.79 52.22 2yux n ASP 43 Cb 0.41 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 2yux n ASP 43 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2yux n ASP 44 N -2.23 0.00 0.00 -1.12 5.75 -1.26 -4.85 116.55 112.84 2yux n ASP 44 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.83 2yux n ASP 44 Cb 0.40 0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.80 2yux n ASP 44 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2yux n GLY 45 N -0.81 2.27 1.00 6.12 0.00 -1.26 -4.00 105.19 108.51 2yux n GLY 45 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2yux n GLY 45 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2yux n ASN 46 N 4.42 -0.28 -4.60 1.61 2.85 -1.26 -4.77 115.26 113.23 2yux n ASN 46 Ca 0.00 0.09 -0.43 0.00 -0.11 0.00 0.00 54.58 54.13 2yux n ASN 46 Cb 0.00 0.50 -0.02 0.00 1.24 0.00 0.00 39.78 41.50 2yux n ASN 46 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2yux s ALA 47 N -2.00 2.96 -0.13 5.20 0.00 -1.26 -4.92 121.76 121.61 2yux s ALA 47 Ca 0.00 -0.16 -0.34 0.00 0.00 0.00 0.00 51.96 51.46 2yux s ALA 47 Cb 0.00 -3.98 -0.11 0.00 0.00 0.00 0.00 23.12 19.03 2yux s ALA 47 CO 0.00 -2.54 1.95 0.00 0.00 0.00 0.00 175.76 175.17 2yux n ALA 48 N 9.27 0.98 -1.56 0.00 0.00 -1.26 -4.72 120.51 123.23 2yux n ALA 48 Ca 0.17 0.19 -0.64 0.00 0.00 0.00 0.00 53.44 53.16 2yux n ALA 48 Cb 0.48 -2.55 -0.11 0.00 0.00 0.00 0.00 19.45 17.28 2yux n ALA 48 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2yux n ILE 49 N 5.64 0.02 0.25 0.00 -0.00 -1.26 -4.83 119.36 119.18 2yux n ILE 49 Ca 0.25 -0.01 -0.13 0.00 -0.00 0.00 0.00 62.75 62.87 2yux n ILE 49 Cb 0.30 -0.55 -0.07 0.00 -0.00 0.00 0.00 39.64 39.32 2yux n ILE 49 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 176.55 177.29 2yux h THR 50 N 5.80 0.24 0.00 1.39 2.02 -1.75 -3.50 112.91 117.11 2yux h THR 50 Ca -0.31 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.38 2yux h THR 50 Cb 1.39 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 2yux h THR 50 CO 1.02 0.04 0.00 0.61 0.37 0.00 0.00 175.52 177.57 2yux n GLY 51 N -0.27 3.53 3.40 2.16 0.00 -1.23 -4.93 105.19 107.85 2yux n GLY 51 Ca -0.10 -0.28 -0.06 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.43 -0.98 -0.14 1.61 2.02 -1.26 -3.54 117.35 114.61 2yux s TYR 52 Ca 0.00 1.81 -0.18 0.00 -0.37 0.00 0.00 57.07 58.33 2yux s TYR 52 Cb 0.00 0.48 -0.04 0.00 -0.40 0.00 0.00 41.96 42.00 2yux s TYR 52 CO 0.00 -0.54 0.47 0.99 -1.57 0.00 0.00 175.55 174.89 2yux s THR 53 N 2.67 5.18 0.14 -0.71 2.01 -1.25 -3.04 115.64 120.64 2yux s THR 53 Ca -0.03 0.91 0.05 0.00 0.31 0.00 0.00 61.69 62.92 2yux s THR 53 Cb -0.12 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 2yux s THR 53 CO -0.15 0.30 0.07 -0.63 -0.69 0.00 0.00 174.62 173.52 2yux s ILE 54 N 0.85 4.25 -0.11 1.82 1.09 -0.30 -1.57 121.20 127.23 2yux s ILE 54 Ca 0.24 -1.08 -0.10 0.00 -1.10 0.00 0.00 60.65 58.61 2yux s ILE 54 Cb -0.15 -3.12 0.03 0.00 -1.06 0.00 0.00 42.46 38.16 2yux s ILE 54 CO 0.09 -0.03 0.30 -1.10 -0.10 0.00 0.00 174.94 174.11 2yux s GLN 55 N -2.80 0.35 0.10 2.79 -0.21 -1.16 -0.85 119.66 117.88 2yux s GLN 55 Ca 0.29 0.43 0.09 0.00 0.02 0.00 0.00 55.36 56.19 2yux s GLN 55 Cb -0.11 0.16 -0.04 0.00 1.00 0.00 0.00 33.01 34.03 2yux s GLN 55 CO 0.21 -0.05 -0.21 -1.59 -2.12 0.00 0.00 175.29 171.54 2yux s LYS 56 N 0.22 1.75 -0.24 2.91 -2.85 -1.26 -2.87 119.74 117.39 2yux s LYS 56 Ca -0.00 -1.18 -0.21 0.00 -1.00 0.00 0.00 55.97 53.58 2yux s LYS 56 Cb -0.02 -2.07 0.06 0.00 -2.06 0.00 0.00 37.83 33.74 2yux s LYS 56 CO -0.00 0.49 0.63 0.00 0.10 0.00 0.00 175.35 176.57 2yux s ALA 57 N -1.06 -1.58 0.86 0.59 0.00 -1.24 -3.56 121.76 115.77 2yux s ALA 57 Ca 0.16 1.84 -0.12 0.00 0.00 0.00 0.00 51.96 53.83 2yux s ALA 57 Cb -0.10 -1.07 0.14 0.00 0.00 0.00 0.00 23.12 22.09 2yux s ALA 57 CO 0.08 -0.31 1.21 0.34 0.00 0.00 0.00 175.76 177.08 2yux s ASP 58 N 0.47 3.85 -0.14 0.00 -1.08 -1.26 -0.63 116.67 117.88 2yux s ASP 58 Ca -0.01 0.39 0.08 0.00 -0.52 0.00 0.00 52.55 52.48 2yux s ASP 58 Cb -0.05 -0.67 0.47 0.00 -1.46 0.00 0.00 42.92 41.21 2yux s ASP 58 CO -0.01 -2.27 1.24 0.29 0.52 0.00 0.00 175.17 174.94 2yux n LYS 59 N -3.44 3.16 -0.08 4.34 4.76 -1.12 -2.54 118.16 123.23 2yux n LYS 59 Ca 0.12 -1.81 -0.16 0.00 -2.87 0.00 0.00 58.31 53.59 2yux n LYS 59 Cb 0.60 -1.93 -0.12 0.00 -1.84 0.00 0.00 35.03 31.74 2yux n LYS 59 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2yux h LYS 60 N 2.19 0.00 -0.04 1.97 1.79 -1.92 -3.43 116.57 117.13 2yux h LYS 60 Ca 0.02 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 58.34 2yux h LYS 60 Cb 1.40 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.85 2yux h LYS 60 CO 0.31 0.95 -0.47 0.43 -1.08 0.00 0.00 179.45 179.58 2yux n SER 61 N -4.56 -0.60 -3.93 0.86 7.64 -1.26 -5.02 113.62 106.76 2yux n SER 61 Ca -0.17 -2.06 -0.30 0.00 1.01 0.00 0.00 58.87 57.35 2yux n SER 61 Cb 0.52 0.25 -0.02 0.00 -1.01 0.00 0.00 64.21 63.95 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 -0.40 -0.63 -3.36 1.43 1.56 -1.05 -4.85 117.12 109.81 2yux n MET 62 Ca -0.17 -0.04 -0.38 0.00 -0.27 0.00 0.00 57.70 56.83 2yux n MET 62 Cb 0.83 -1.92 -0.07 0.00 2.15 0.00 0.00 33.22 34.21 2yux n MET 62 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 2yux s GLU 63 N -6.57 4.20 -0.20 2.12 2.02 -1.26 -4.95 118.70 114.06 2yux s GLU 63 Ca 0.22 0.26 -0.05 0.00 0.02 0.00 0.00 54.97 55.42 2yux s GLU 63 Cb -0.12 -3.52 -0.03 0.00 0.10 0.00 0.00 34.13 30.56 2yux s GLU 63 CO 0.71 -0.02 0.01 -1.58 0.02 0.00 0.00 175.26 174.40 2yux s TRP 64 N 1.25 3.06 -0.15 1.61 0.52 -1.26 -3.79 118.94 120.19 2yux s TRP 64 Ca 0.21 -0.38 0.18 0.00 0.02 0.00 0.00 56.10 56.12 2yux s TRP 64 Cb -0.15 -2.08 0.34 0.00 -1.15 0.00 0.00 33.47 30.43 2yux s TRP 64 CO 0.08 -0.18 1.20 1.19 0.02 0.00 0.00 176.95 179.26 2yux n PHE 65 N 4.13 0.15 -1.71 -1.98 3.01 -1.23 -5.02 117.46 114.81 2yux n PHE 65 Ca -0.17 -1.05 0.00 0.00 1.01 0.00 0.00 57.45 57.24 2yux n PHE 65 Cb 0.52 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.80 2yux n PHE 65 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 2yux n THR 66 N -1.28 -5.42 -0.10 4.37 -1.04 -1.26 -4.98 114.28 104.57 2yux n THR 66 Ca 0.17 2.46 -0.17 0.00 -2.04 0.00 0.00 64.05 64.48 2yux n THR 66 Cb 0.69 -3.31 -0.08 0.00 -1.82 0.00 0.00 70.33 65.81 2yux n THR 66 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2yux n VAL 67 N 0.08 1.09 -3.51 12.58 0.31 -0.03 -4.78 118.33 124.07 2yux n VAL 67 Ca 0.00 -0.35 -0.14 0.00 -0.01 0.00 0.00 64.34 63.84 2yux n VAL 67 Cb 0.00 -1.44 -0.05 0.00 -0.91 0.00 0.00 33.84 31.44 2yux n VAL 67 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 2yux s ILE 68 N -2.37 0.00 0.03 2.52 2.07 -1.05 -4.98 121.20 117.42 2yux s ILE 68 Ca -0.27 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.01 2yux s ILE 68 Cb 0.08 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.66 2yux s ILE 68 CO 0.40 0.00 -0.12 -1.61 -1.91 0.00 0.00 174.94 171.70 2yux s GLU 69 N -1.92 0.80 -1.15 3.50 2.02 -1.26 -1.15 118.70 119.54 2yux s GLU 69 Ca -0.05 -0.68 -0.15 0.00 0.02 0.00 0.00 54.97 54.11 2yux s GLU 69 Cb -0.00 -0.76 -0.02 0.00 0.10 0.00 0.00 34.13 33.45 2yux s GLU 69 CO 0.01 0.18 0.80 0.72 0.02 0.00 0.00 175.26 177.00 2yux n HIS 70 N 1.96 -2.02 -0.79 1.61 8.25 -1.26 -4.97 115.22 118.01 2yux n HIS 70 Ca -0.18 0.59 -0.05 0.00 -0.26 0.00 0.00 57.72 57.82 2yux n HIS 70 Cb 0.55 -3.71 0.04 0.00 1.12 0.00 0.00 29.99 27.99 2yux n HIS 70 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 2yux n TYR 71 N -4.00 -3.46 0.00 4.41 9.36 -1.17 -4.82 117.16 117.48 2yux n TYR 71 Ca -0.12 -0.16 0.00 0.00 3.32 0.00 0.00 57.90 60.94 2yux n TYR 71 Cb 0.61 -0.17 0.00 0.00 -0.63 0.00 0.00 39.34 39.15 2yux n TYR 71 CO 0.00 0.00 0.00 1.58 0.22 0.00 0.00 176.86 178.66 2yux n HIS 72 N -2.65 0.00 -0.08 2.98 -0.00 -1.26 -4.34 115.22 109.87 2yux n HIS 72 Ca 0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.70 2yux n HIS 72 Cb 0.09 0.06 0.04 0.00 -0.00 0.00 0.00 29.99 30.18 2yux n HIS 72 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2yux n ARG 73 N -1.36 -1.13 0.00 1.57 3.00 -1.26 -4.94 116.66 112.54 2yux n ARG 73 Ca 0.00 -0.20 0.05 0.00 -0.01 0.00 0.00 57.85 57.69 2yux n ARG 73 Cb 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 32.46 32.11 2yux n ARG 73 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2yux n THR 74 N -3.13 0.00 -4.57 0.55 -2.24 -1.26 -4.96 114.28 98.66 2yux n THR 74 Ca 0.02 -0.32 -0.23 0.00 -2.27 0.00 0.00 64.05 61.25 2yux n THR 74 Cb 0.08 1.07 -0.14 0.00 -2.10 0.00 0.00 70.33 69.24 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 -1.73 2.04 -0.02 3.42 1.04 -1.26 -3.25 113.70 113.94 2yux s SER 75 Ca 0.07 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 56.06 2yux s SER 75 Cb 0.09 -0.17 0.03 0.00 0.10 0.00 0.00 66.02 66.06 2yux s SER 75 CO 0.36 0.12 0.02 0.00 0.98 0.00 0.00 173.24 174.72 2yux s ALA 76 N -0.71 0.12 -0.22 5.32 0.00 -1.25 -5.00 121.76 120.02 2yux s ALA 76 Ca 0.05 0.25 -0.24 0.00 0.00 0.00 0.00 51.96 52.02 2yux s ALA 76 Cb -0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 23.12 22.79 2yux s ALA 76 CO 0.01 -0.09 0.81 0.99 0.00 0.00 0.00 175.76 177.48 2yux s THR 77 N 0.96 4.86 0.16 0.00 2.01 -1.26 -3.00 115.64 119.37 2yux s THR 77 Ca -0.08 1.54 -0.07 0.00 0.31 0.00 0.00 61.69 63.39 2yux s THR 77 Cb -0.12 -4.10 -0.06 0.00 0.01 0.00 0.00 72.50 68.23 2yux s THR 77 CO -0.02 -0.04 0.42 -0.63 -0.69 0.00 0.00 174.62 173.66 2yux s ILE 78 N 2.62 5.09 0.00 1.82 -1.09 0.49 -4.91 121.20 125.23 2yux s ILE 78 Ca 0.35 0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.98 2yux s ILE 78 Cb -0.16 -3.62 0.00 0.00 -1.58 0.00 0.00 42.46 37.10 2yux s ILE 78 CO 0.09 0.05 0.00 1.07 -1.23 0.00 0.00 174.94 174.91 2yux n THR 79 N 0.14 0.00 -3.26 2.92 5.66 -1.26 -0.81 114.28 117.67 2yux n THR 79 Ca -0.02 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.80 2yux n THR 79 Cb 0.52 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.27 2yux n THR 79 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2yux n GLU 80 N 0.00 -2.31 -3.49 1.09 1.02 -1.25 -4.88 120.64 110.82 2yux n GLU 80 Ca 0.00 0.14 -0.29 0.00 -0.02 0.00 0.00 57.16 56.99 2yux n GLU 80 Cb 0.00 -4.70 -0.04 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 -5.94 4.15 -0.19 -4.62 1.43 -1.25 -5.08 118.68 107.17 2yux s LEU 81 Ca 0.32 0.65 -0.03 0.00 -1.03 0.00 0.00 54.13 54.04 2yux s LEU 81 Cb -0.18 -3.43 -0.01 0.00 0.03 0.00 0.00 46.19 42.59 2yux s LEU 81 CO 0.39 -0.10 -0.07 -0.69 0.23 0.00 0.00 176.35 176.12 2yux s VAL 82 N -1.92 3.34 0.32 -1.59 1.01 -1.26 -4.73 120.40 115.58 2yux s VAL 82 Ca 0.43 -0.52 -0.29 0.00 0.00 0.00 0.00 61.98 61.59 2yux s VAL 82 Cb -0.11 -2.48 -0.11 0.00 0.00 0.00 0.00 36.38 33.68 2yux s VAL 82 CO 0.27 0.46 1.42 -0.63 0.00 0.00 0.00 175.10 176.63 2yux s ILE 83 N 1.02 2.45 0.00 2.22 1.01 -1.26 -3.57 121.20 123.07 2yux s ILE 83 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 60.65 61.07 2yux s ILE 83 Cb -0.15 -3.27 0.00 0.00 0.01 0.00 0.00 42.46 39.05 2yux s ILE 83 CO -0.00 0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.64 2yux n GLY 84 N 1.23 1.02 3.47 6.18 0.00 -1.13 -4.95 105.19 111.02 2yux n GLY 84 Ca 0.03 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.32 -0.52 -0.08 1.61 0.01 -1.23 -5.05 114.94 107.36 2yux s ASN 85 Ca 0.00 0.18 0.05 0.00 -0.71 0.00 0.00 52.86 52.38 2yux s ASN 85 Cb 0.00 0.51 -0.01 0.00 0.41 0.00 0.00 41.25 42.16 2yux s ASN 85 CO 0.00 -0.75 -0.24 -1.83 -1.51 0.00 0.00 177.10 172.77 2yux s GLU 86 N -2.85 2.77 0.37 -0.60 1.03 -1.26 -1.43 118.70 116.73 2yux s GLU 86 Ca -0.01 -0.88 0.05 0.00 0.03 0.00 0.00 54.97 54.17 2yux s GLU 86 Cb -0.01 -2.24 -0.07 0.00 -0.80 0.00 0.00 34.13 31.01 2yux s GLU 86 CO -0.06 0.31 0.03 0.71 -1.33 0.00 0.00 175.26 174.92 2yux s TYR 87 N 0.03 2.26 0.48 4.83 1.51 -0.86 -2.80 117.35 122.79 2yux s TYR 87 Ca -0.09 -0.81 0.00 0.00 -1.01 0.00 0.00 57.07 55.16 2yux s TYR 87 Cb -0.15 -1.55 -0.00 0.00 -0.11 0.00 0.00 41.96 40.15 2yux s TYR 87 CO 0.06 0.24 0.01 0.66 -1.11 0.00 0.00 175.55 175.40 2yux n TYR 88 N -0.84 1.07 -3.64 2.71 4.01 0.20 -2.28 117.16 118.39 2yux n TYR 88 Ca -0.04 -2.39 -0.10 0.00 -0.16 0.00 0.00 57.90 55.22 2yux n TYR 88 Cb 0.67 -0.30 -0.07 0.00 -0.31 0.00 0.00 39.34 39.33 2yux n TYR 88 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2yux s PHE 89 N -2.76 -0.92 -0.03 -0.72 0.08 -1.26 -3.64 117.98 108.74 2yux s PHE 89 Ca 0.01 1.99 -0.00 0.00 0.12 0.00 0.00 56.93 59.05 2yux s PHE 89 Cb 0.00 0.47 0.03 0.00 -0.57 0.00 0.00 43.02 42.95 2yux s PHE 89 CO 0.01 -0.45 0.03 -0.98 -0.10 0.00 0.00 175.22 173.72 2yux s ARG 90 N 1.06 0.04 -0.21 0.44 1.70 -1.14 -2.12 118.95 118.72 2yux s ARG 90 Ca -0.05 0.19 -0.08 0.00 -0.47 0.00 0.00 55.73 55.31 2yux s ARG 90 Cb -0.05 -0.35 -0.04 0.00 -0.57 0.00 0.00 34.95 33.94 2yux s ARG 90 CO -0.11 -0.19 0.10 0.08 -1.08 0.00 0.00 175.30 174.10 2yux s VAL 91 N 1.23 4.92 0.36 4.99 1.01 -1.24 -3.01 120.40 128.66 2yux s VAL 91 Ca -0.07 0.02 0.05 0.00 0.00 0.00 0.00 61.98 61.98 2yux s VAL 91 Cb -0.13 -3.25 0.05 0.00 0.00 0.00 0.00 36.38 33.05 2yux s VAL 91 CO -0.03 0.41 0.43 0.49 0.00 0.00 0.00 175.10 176.40 2yux n PHE 92 N 3.97 -2.05 -4.03 5.22 3.72 -0.61 -3.77 117.46 119.92 2yux n PHE 92 Ca -0.16 -1.39 -0.33 0.00 -0.05 0.00 0.00 57.45 55.52 2yux n PHE 92 Cb 0.52 -0.33 -0.15 0.00 -0.94 0.00 0.00 39.48 38.58 2yux n PHE 92 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2yux s SER 93 N -3.22 4.57 0.22 4.37 0.01 -1.26 -3.83 113.70 114.55 2yux s SER 93 Ca 0.33 -1.42 -0.06 0.00 1.31 0.00 0.00 55.95 56.11 2yux s SER 93 Cb -0.03 -1.59 -0.06 0.00 0.21 0.00 0.00 66.02 64.55 2yux s SER 93 CO 0.21 -0.22 0.49 -1.61 0.41 0.00 0.00 173.24 172.52 2yux s GLU 94 N 1.12 3.68 0.00 12.44 2.02 -1.23 -3.73 118.70 133.01 2yux s GLU 94 Ca -0.07 0.05 0.00 0.00 0.02 0.00 0.00 54.97 54.97 2yux s GLU 94 Cb -0.20 -2.72 0.00 0.00 0.10 0.00 0.00 34.13 31.31 2yux s GLU 94 CO -0.04 0.34 0.00 0.27 0.02 0.00 0.00 175.26 175.85 2yux n ASN 95 N -0.32 0.00 -0.36 -0.19 6.94 -1.22 -2.31 115.26 117.80 2yux n ASN 95 Ca -0.01 0.00 0.07 0.00 -0.02 0.00 0.00 54.58 54.62 2yux n ASN 95 Cb 0.53 0.00 0.24 0.00 -2.36 0.00 0.00 39.78 38.19 2yux n ASN 95 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2yux h MET 96 N 0.00 0.95 0.00 -3.83 -0.00 -1.93 -3.22 114.93 106.90 2yux h MET 96 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 59.70 59.64 2yux h MET 96 Cb 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 31.60 31.39 2yux h MET 96 CO 0.00 0.63 0.00 0.00 -0.00 0.00 0.00 176.91 177.54 2yux n GLY 98 N 0.41 -0.74 3.94 0.00 0.00 -1.22 -5.15 105.19 102.43 2yux n GLY 98 Ca 0.00 0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 2yux n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2yux s LEU 99 N 0.00 4.32 -0.06 0.99 2.01 -1.26 -3.38 118.68 121.31 2yux s LEU 99 Ca 0.00 0.22 -0.26 0.00 0.01 0.00 0.00 54.13 54.10 2yux s LEU 99 Cb 0.00 -2.96 -0.03 0.00 0.01 0.00 0.00 46.19 43.21 2yux s LEU 99 CO 0.00 0.04 0.80 -0.94 1.01 0.00 0.00 176.35 177.26 2yux s SER 100 N -3.18 7.10 0.35 2.29 1.04 -1.24 -4.94 113.70 115.11 2yux s SER 100 Ca 0.35 1.33 0.09 0.00 0.48 0.00 0.00 55.95 58.20 2yux s SER 100 Cb -0.11 -2.46 0.82 0.00 0.10 0.00 0.00 66.02 64.36 2yux s SER 100 CO 0.29 -0.19 1.84 -0.33 0.98 0.00 0.00 173.24 175.82 2yux h GLU 101 N 6.84 0.67 -5.63 4.02 5.08 -1.97 -3.39 114.58 120.19 2yux h GLU 101 Ca -0.40 -0.04 -0.65 0.00 -1.00 0.00 0.00 59.36 57.27 2yux h GLU 101 Cb 1.20 -0.15 -0.16 0.00 0.50 0.00 0.00 28.75 30.13 2yux h GLU 101 CO 0.76 0.45 -0.61 -0.51 -1.00 0.00 0.00 179.01 178.10 2yux s ASP 102 N -5.64 5.27 0.12 1.42 1.11 -1.26 -5.11 116.67 112.58 2yux s ASP 102 Ca -0.10 0.08 0.05 0.00 0.18 0.00 0.00 52.55 52.76 2yux s ASP 102 Cb 0.23 -1.69 -0.04 0.00 1.07 0.00 0.00 42.92 42.49 2yux s ASP 102 CO 0.79 0.28 -0.13 0.00 1.18 0.00 0.00 175.17 177.30 2yux s ALA 103 N -0.30 1.43 -0.61 5.23 0.00 -1.26 -4.82 121.76 121.43 2yux s ALA 103 Ca 0.07 -1.32 -0.20 0.00 0.00 0.00 0.00 51.96 50.51 2yux s ALA 103 Cb -0.12 -0.03 0.09 0.00 0.00 0.00 0.00 23.12 23.05 2yux s ALA 103 CO 0.02 0.04 0.78 0.99 0.00 0.00 0.00 175.76 177.59 2yux s THR 104 N -2.43 4.67 0.17 0.00 2.01 -1.25 -4.95 115.64 113.86 2yux s THR 104 Ca 0.10 -0.77 -0.07 0.00 0.31 0.00 0.00 61.69 61.26 2yux s THR 104 Cb -0.03 -4.54 -0.06 0.00 0.01 0.00 0.00 72.50 67.87 2yux s THR 104 CO 0.02 -1.22 0.44 -0.32 -0.69 0.00 0.00 174.62 172.86 2yux s MET 105 N 3.11 3.69 -0.57 4.92 0.00 -1.26 -3.64 119.30 125.56 2yux s MET 105 Ca 0.15 0.05 -0.27 0.00 0.00 0.00 0.00 55.69 55.62 2yux s MET 105 Cb -0.22 -2.77 -0.01 0.00 0.00 0.00 0.00 34.83 31.83 2yux s MET 105 CO 0.08 0.41 1.71 0.95 0.00 0.00 0.00 175.02 178.17 2yux s THR 106 N -1.71 3.49 0.57 10.11 -4.23 -0.90 -4.81 115.64 118.16 2yux s THR 106 Ca 0.43 0.37 0.27 0.00 -1.18 0.00 0.00 61.69 61.58 2yux s THR 106 Cb -0.12 -4.07 0.35 0.00 1.34 0.00 0.00 72.50 70.01 2yux s THR 106 CO 0.23 -0.95 2.11 0.11 -0.54 0.00 0.00 174.62 175.58 2yux h LYS 107 N 13.44 0.00 0.20 3.99 6.56 -1.93 -0.36 116.57 138.47 2yux h LYS 107 Ca -0.27 0.00 -0.35 0.00 -1.06 0.00 0.00 60.65 58.97 2yux h LYS 107 Cb 1.14 0.00 0.02 0.00 -0.57 0.00 0.00 32.23 32.82 2yux h LYS 107 CO 1.18 0.00 -1.67 0.93 -2.06 0.00 0.00 179.45 177.83 2yux h GLU 108 N 0.00 0.43 0.00 3.15 4.39 -1.94 -3.50 114.58 117.10 2yux h GLU 108 Ca 0.09 -0.73 0.00 0.00 0.34 0.00 0.00 59.36 59.06 2yux h GLU 108 Cb 0.45 0.27 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 2yux h GLU 108 CO -0.00 1.34 0.00 -1.13 -1.16 0.00 0.00 179.01 178.06 2yux n SER 109 N -3.61 -1.35 -3.81 1.42 3.41 -0.15 -4.86 113.62 104.67 2yux n SER 109 Ca -0.22 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.22 2yux n SER 109 Cb 1.08 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.87 2yux n SER 109 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yux s ALA 110 N -1.35 0.26 -0.32 7.33 0.00 -0.97 -4.92 121.76 121.79 2yux s ALA 110 Ca 0.00 0.19 -0.08 0.00 0.00 0.00 0.00 51.96 52.07 2yux s ALA 110 Cb 0.00 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.84 2yux s ALA 110 CO 0.00 -0.07 0.13 0.08 0.00 0.00 0.00 175.76 175.90 2yux s VAL 111 N 1.00 4.23 0.25 0.00 1.01 -1.26 -2.03 120.40 123.59 2yux s VAL 111 Ca -0.10 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 2yux s VAL 111 Cb -0.13 -3.25 -0.09 0.00 0.00 0.00 0.00 36.38 32.90 2yux s VAL 111 CO -0.02 -0.04 1.00 -0.63 0.00 0.00 0.00 175.10 175.41 2yux s ILE 112 N 1.52 3.87 -0.10 2.22 -1.09 -0.51 -5.02 121.20 122.08 2yux s ILE 112 Ca 0.02 1.88 -0.32 0.00 -2.23 0.00 0.00 60.65 60.01 2yux s ILE 112 Cb -0.18 -4.20 0.12 0.00 -1.58 0.00 0.00 42.46 36.63 2yux s ILE 112 CO 0.04 0.45 1.04 0.00 -1.23 0.00 0.00 174.94 175.24 2yux s ALA 113 N -1.16 -1.94 -0.77 9.38 0.00 -1.26 -2.85 121.76 123.15 2yux s ALA 113 Ca 0.42 1.32 -0.08 0.00 0.00 0.00 0.00 51.96 53.63 2yux s ALA 113 Cb -0.28 0.07 -0.18 0.00 0.00 0.00 0.00 23.12 22.72 2yux s ALA 113 CO 0.35 -0.61 3.29 0.54 0.00 0.00 0.00 175.76 179.33 2yux n ARG 114 N -0.09 2.79 -3.60 0.00 1.74 -1.26 -4.22 116.66 112.02 2yux n ARG 114 Ca -0.05 -1.56 -0.04 0.00 -0.77 0.00 0.00 57.85 55.44 2yux n ARG 114 Cb 0.60 -2.38 -0.02 0.00 -1.02 0.00 0.00 32.46 29.65 2yux n ARG 114 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2yux s ASP 115 N 2.10 -0.16 -0.05 0.55 2.15 -1.26 -5.06 116.67 114.94 2yux s ASP 115 Ca 0.68 -0.07 0.05 0.00 0.43 0.00 0.00 52.55 53.64 2yux s ASP 115 Cb 0.25 0.22 -0.02 0.00 -0.30 0.00 0.00 42.92 43.07 2yux s ASP 115 CO -0.03 -0.38 -0.21 -0.83 -0.17 0.00 0.00 175.17 173.56 2yux s GLY 116 N -2.50 1.39 0.29 2.66 0.00 -1.26 -4.68 107.32 103.21 2yux s GLY 116 Ca 0.10 -1.03 -0.28 0.00 0.00 0.00 0.00 44.72 43.51 2yux s GLY 116 CO -0.05 -0.73 0.96 1.25 0.00 0.00 0.00 173.10 174.53 2yux s LYS 117 N -0.45 4.69 0.00 2.90 2.47 -1.26 -5.05 119.74 123.03 2yux s LYS 117 Ca 0.05 1.44 0.00 0.00 -1.56 0.00 0.00 55.97 55.91 2yux s LYS 117 Cb -0.12 -3.03 0.00 0.00 -1.46 0.00 0.00 37.83 33.23 2yux s LYS 117 CO 0.01 0.36 0.00 -0.89 0.16 0.00 0.00 175.35 174.99 2yux n ILE 118 N 0.98 0.00 0.00 5.43 -0.00 -1.26 -5.08 119.36 119.44 2yux n ILE 118 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 2yux n ILE 118 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.12 2yux n ILE 118 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 2yux n TYR 119 N 0.00 0.00 -0.17 1.39 4.01 -1.26 -5.19 117.16 115.94 2yux n TYR 119 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2yux n TYR 119 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2yux n TYR 119 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76