#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yux s SER 2 N 0.00 -0.44 0.51 1.61 0.15 -1.26 -5.18 113.70 109.10 2yux s SER 2 Ca 0.00 0.32 -0.01 0.00 0.70 0.00 0.00 55.95 56.96 2yux s SER 2 Cb 0.00 0.39 0.01 0.00 -1.71 0.00 0.00 66.02 64.71 2yux s SER 2 CO 0.00 -0.52 0.76 -0.44 1.20 0.00 0.00 173.24 174.24 2yux s SER 3 N -1.65 5.63 0.00 5.45 0.01 -1.26 -5.09 113.70 116.79 2yux s SER 3 Ca -0.01 0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.59 2yux s SER 3 Cb -0.01 -1.44 0.00 0.00 0.21 0.00 0.00 66.02 64.79 2yux s SER 3 CO -0.01 -0.91 0.00 0.61 0.41 0.00 0.00 173.24 173.34 2yux n GLY 4 N -2.29 4.20 3.48 3.44 0.00 -1.26 -5.14 105.19 107.62 2yux n GLY 4 Ca 0.04 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 2yux n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yux s SER 5 N 1.00 4.31 0.18 1.61 1.04 -1.26 -5.11 113.70 115.47 2yux s SER 5 Ca 0.00 -0.18 -0.15 0.00 0.48 0.00 0.00 55.95 56.11 2yux s SER 5 Cb 0.00 -1.32 -0.07 0.00 0.10 0.00 0.00 66.02 64.73 2yux s SER 5 CO 0.00 0.27 0.59 -0.44 0.98 0.00 0.00 173.24 174.63 2yux s SER 6 N -0.25 6.83 -0.43 7.02 0.01 -1.26 -4.96 113.70 120.67 2yux s SER 6 Ca 0.02 1.12 -0.43 0.00 1.31 0.00 0.00 55.95 57.97 2yux s SER 6 Cb -0.13 -2.31 -0.18 0.00 0.21 0.00 0.00 66.02 63.62 2yux s SER 6 CO 0.03 0.05 1.83 0.61 0.41 0.00 0.00 173.24 176.17 2yux n GLY 7 N 0.62 0.31 3.30 3.44 0.00 -1.26 -4.92 105.19 106.68 2yux n GLY 7 Ca -0.04 1.01 -0.16 0.00 0.00 0.00 0.00 46.02 46.83 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 4.29 1.74 0.28 4.61 0.00 -1.26 -5.05 121.76 126.37 2yux s ALA 8 Ca 1.07 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 51.44 2yux s ALA 8 Cb -1.33 0.03 0.00 0.00 0.00 0.00 0.00 23.12 21.82 2yux s ALA 8 CO 0.71 -0.04 0.00 0.45 0.00 0.00 0.00 175.76 176.88 2yux n SER 9 N -0.30 -8.59 -4.71 0.00 2.88 -1.26 -4.94 113.62 96.69 2yux n SER 9 Ca -0.09 1.24 -0.30 0.00 -1.33 0.00 0.00 58.87 58.39 2yux n SER 9 Cb 0.61 -4.58 0.14 0.00 -0.75 0.00 0.00 64.21 59.63 2yux n SER 9 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 2yux s ILE 10 N -1.31 2.66 -0.04 2.46 -4.36 -1.26 -5.06 121.20 114.29 2yux s ILE 10 Ca 0.00 0.21 -0.03 0.00 -0.26 0.00 0.00 60.65 60.57 2yux s ILE 10 Cb 0.00 -2.65 0.01 0.00 1.25 0.00 0.00 42.46 41.07 2yux s ILE 10 CO 0.00 -0.28 0.10 1.51 0.24 0.00 0.00 174.94 176.51 2yux s ASP 11 N -3.33 -0.10 -0.07 4.36 1.47 -1.26 -4.98 116.67 112.75 2yux s ASP 11 Ca 0.64 0.21 -0.06 0.00 1.18 0.00 0.00 52.55 54.51 2yux s ASP 11 Cb -0.18 0.20 0.01 0.00 -0.34 0.00 0.00 42.92 42.61 2yux s ASP 11 CO 0.57 -0.05 0.10 -0.38 0.68 0.00 0.00 175.17 176.10 2yux n ILE 12 N 3.13 -1.97 -3.50 2.11 5.41 -1.26 -4.87 119.36 118.41 2yux n ILE 12 Ca -0.14 0.36 -0.40 0.00 1.00 0.00 0.00 62.75 63.57 2yux n ILE 12 Cb 0.59 -2.61 -0.10 0.00 -0.71 0.00 0.00 39.64 36.81 2yux n ILE 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2yux s GLN 13 N -1.07 3.55 -0.36 0.38 -2.07 -1.26 -5.03 119.66 113.80 2yux s GLN 13 Ca 0.06 -0.56 0.02 0.00 -1.82 0.00 0.00 55.36 53.06 2yux s GLN 13 Cb -0.01 -3.80 0.11 0.00 -1.09 0.00 0.00 33.01 28.23 2yux s GLN 13 CO 0.14 -0.44 0.12 0.42 -1.32 0.00 0.00 175.29 174.20 2yux s ILE 14 N 1.79 1.64 0.31 3.63 1.01 -1.26 -5.11 121.20 123.22 2yux s ILE 14 Ca 0.07 -2.13 -0.27 0.00 0.00 0.00 0.00 60.65 58.32 2yux s ILE 14 Cb -0.17 -2.20 -0.10 0.00 0.01 0.00 0.00 42.46 40.00 2yux s ILE 14 CO 0.11 -0.70 0.95 -0.63 0.00 0.00 0.00 174.94 174.67 2yux s ILE 15 N 0.95 4.15 -0.25 2.92 1.01 -1.26 -4.77 121.20 123.95 2yux s ILE 15 Ca 0.12 1.85 -0.28 0.00 0.00 0.00 0.00 60.65 62.35 2yux s ILE 15 Cb -0.20 -4.06 0.15 0.00 0.01 0.00 0.00 42.46 38.37 2yux s ILE 15 CO -0.12 0.21 1.19 -0.62 0.00 0.00 0.00 174.94 175.59 2yux s ASP 16 N -1.51 -0.24 0.42 3.58 -1.08 -1.26 -5.09 116.67 111.48 2yux s ASP 16 Ca 0.49 0.36 -0.21 0.00 -0.52 0.00 0.00 52.55 52.67 2yux s ASP 16 Cb -0.20 0.33 -0.15 0.00 -1.46 0.00 0.00 42.92 41.44 2yux s ASP 16 CO 0.26 -0.16 0.16 0.54 0.52 0.00 0.00 175.17 176.49 2yux n ARG 17 N 1.21 0.11 -1.53 4.34 3.00 -1.26 -4.67 116.66 117.86 2yux n ARG 17 Ca -0.08 0.04 -0.29 0.00 -0.01 0.00 0.00 57.85 57.51 2yux n ARG 17 Cb 0.57 -1.11 0.15 0.00 0.00 0.00 0.00 32.46 32.08 2yux n ARG 17 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2yux s PRO 18 N -1.14 0.79 0.20 5.56 0.04 -1.26 -5.07 135.00 134.12 2yux s PRO 18 Ca 0.60 0.16 0.02 0.00 0.04 0.00 0.00 61.00 61.82 2yux s PRO 18 Cb -0.61 -1.81 0.04 0.00 0.04 0.00 0.00 34.50 32.15 2yux s PRO 18 CO 0.62 -2.41 0.28 0.41 0.04 0.00 0.00 177.00 175.93 2yux n GLY 19 N -2.25 1.64 3.78 0.56 0.00 -1.26 -4.66 105.19 102.99 2yux n GLY 19 Ca 0.08 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 43.70 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 -2.96 0.52 0.35 1.61 0.04 -1.26 -4.35 135.00 128.95 2yux s PRO 20 Ca 0.20 0.06 -0.26 0.00 0.04 0.00 0.00 61.00 61.04 2yux s PRO 20 Cb -0.01 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.65 2yux s PRO 20 CO 0.13 -2.57 1.07 -1.25 0.04 0.00 0.00 177.00 174.41 2yux s PRO 21 N -5.44 4.36 0.19 0.56 0.04 -1.26 -4.81 135.00 128.63 2yux s PRO 21 Ca 0.68 1.62 -0.25 0.00 0.04 0.00 0.00 61.00 63.09 2yux s PRO 21 Cb -0.11 -2.81 0.07 0.00 0.04 0.00 0.00 34.50 31.69 2yux s PRO 21 CO 0.54 0.01 1.55 1.96 0.04 0.00 0.00 177.00 181.10 2yux h GLN 22 N 3.05 -0.06 -3.26 4.56 4.20 -1.59 -3.44 115.11 118.57 2yux h GLN 22 Ca -0.48 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.17 2yux h GLN 22 Cb 1.21 0.01 -0.15 0.00 0.30 0.00 0.00 27.48 28.86 2yux h GLN 22 CO 0.64 -0.04 -0.13 -1.50 -0.67 0.00 0.00 178.83 177.13 2yux s ILE 23 N -5.75 0.07 -0.14 2.54 2.07 -1.26 -4.97 121.20 113.76 2yux s ILE 23 Ca -0.13 -0.58 -0.03 0.00 -1.41 0.00 0.00 60.65 58.50 2yux s ILE 23 Cb 0.15 -1.06 0.05 0.00 0.13 0.00 0.00 42.46 41.73 2yux s ILE 23 CO 0.66 -0.32 0.04 -0.69 -1.91 0.00 0.00 174.94 172.72 2yux s VAL 24 N -3.08 0.30 0.37 4.00 1.01 -1.26 -0.22 120.40 121.52 2yux s VAL 24 Ca -0.01 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 61.82 2yux s VAL 24 Cb 0.01 -0.72 -0.06 0.00 0.00 0.00 0.00 36.38 35.60 2yux s VAL 24 CO -0.07 -0.06 0.04 -1.59 0.00 0.00 0.00 175.10 173.43 2yux s LYS 25 N 1.98 1.81 -0.35 2.72 -2.85 0.52 -3.61 119.74 119.96 2yux s LYS 25 Ca 0.02 -2.03 -0.05 0.00 -1.00 0.00 0.00 55.97 52.91 2yux s LYS 25 Cb -0.15 -1.17 0.06 0.00 -2.06 0.00 0.00 37.83 34.51 2yux s LYS 25 CO -0.07 -0.16 0.11 0.42 0.10 0.00 0.00 175.35 175.75 2yux s ILE 26 N -3.06 3.50 0.28 3.79 1.01 -1.26 0.20 121.20 125.66 2yux s ILE 26 Ca 0.33 -1.42 -0.02 0.00 0.00 0.00 0.00 60.65 59.54 2yux s ILE 26 Cb 0.08 -3.09 0.33 0.00 0.01 0.00 0.00 42.46 39.80 2yux s ILE 26 CO 0.16 -0.29 1.62 -0.08 0.00 0.00 0.00 174.94 176.34 2yux h GLU 27 N 8.14 0.10 0.00 2.79 4.22 0.01 -3.46 114.58 126.38 2yux h GLU 27 Ca -0.21 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.23 2yux h GLU 27 Cb 1.07 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2yux h GLU 27 CO 0.62 0.06 0.00 -3.47 -2.18 0.00 0.00 179.01 174.04 2yux n ASP 28 N -5.36 0.00 -3.69 1.04 -0.08 -1.17 -4.98 116.55 102.30 2yux n ASP 28 Ca 0.19 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.31 2yux n ASP 28 Cb 0.61 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.93 2yux n ASP 28 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2yux s VAL 29 N -2.00 -0.22 0.07 5.18 0.11 -1.26 0.13 120.40 122.41 2yux s VAL 29 Ca 0.00 0.29 0.05 0.00 -2.93 0.00 0.00 61.98 59.39 2yux s VAL 29 Cb 0.00 -0.31 -0.03 0.00 -1.53 0.00 0.00 36.38 34.52 2yux s VAL 29 CO 0.00 0.12 -0.14 -1.66 -3.33 0.00 0.00 175.10 170.09 2yux s TRP 30 N 1.97 1.20 0.00 1.54 -2.14 0.51 -3.88 118.94 118.14 2yux s TRP 30 Ca -0.01 -0.45 0.00 0.00 2.66 0.00 0.00 56.10 58.30 2yux s TRP 30 Cb -0.12 -0.68 0.00 0.00 -3.10 0.00 0.00 33.47 29.57 2yux s TRP 30 CO -0.06 0.05 0.00 0.41 -2.66 0.00 0.00 176.95 174.69 2yux n GLY 31 N 1.32 1.96 1.17 3.67 0.00 -1.26 0.86 105.19 112.90 2yux n GLY 31 Ca -0.21 0.35 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 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 11.39 2.14 -4.77 1.61 1.02 -1.26 -4.06 120.64 126.71 2yux n GLU 32 Ca 0.00 -3.09 -0.25 0.00 -0.02 0.00 0.00 57.16 53.81 2yux n GLU 32 Cb 0.00 -1.85 -0.16 0.00 -0.02 0.00 0.00 31.44 29.41 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 -2.30 1.99 0.17 1.62 0.01 0.25 -3.60 114.94 113.09 2yux s ASN 33 Ca 0.45 -0.32 0.10 0.00 -0.71 0.00 0.00 52.86 52.38 2yux s ASN 33 Cb 0.40 -0.49 -0.04 0.00 0.41 0.00 0.00 41.25 41.53 2yux s ASN 33 CO 0.03 0.15 -0.17 -0.69 -1.51 0.00 0.00 177.10 174.91 2yux s VAL 34 N -0.02 2.80 -0.20 1.60 1.01 -1.13 -0.36 120.40 124.09 2yux s VAL 34 Ca -0.02 -1.77 -0.01 0.00 0.00 0.00 0.00 61.98 60.18 2yux s VAL 34 Cb -0.10 -2.35 0.01 0.00 0.00 0.00 0.00 36.38 33.94 2yux s VAL 34 CO 0.01 -0.07 -0.13 0.00 0.00 0.00 0.00 175.10 174.91 2yux s ALA 35 N -1.58 2.53 0.06 5.51 0.00 0.34 -0.74 121.76 127.89 2yux s ALA 35 Ca 0.22 -1.24 0.01 0.00 0.00 0.00 0.00 51.96 50.95 2yux s ALA 35 Cb -0.09 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 2yux s ALA 35 CO 0.12 -0.45 0.16 -0.51 0.00 0.00 0.00 175.76 175.08 2yux s LEU 36 N 1.35 4.15 -0.23 0.00 1.43 -1.14 0.68 118.68 124.91 2yux s LEU 36 Ca 0.04 0.17 -0.03 0.00 -1.03 0.00 0.00 54.13 53.29 2yux s LEU 36 Cb -0.14 -2.76 0.12 0.00 0.03 0.00 0.00 46.19 43.44 2yux s LEU 36 CO -0.09 0.18 0.33 0.42 0.23 0.00 0.00 176.35 177.42 2yux s THR 37 N -1.45 -0.52 0.14 5.49 -4.23 0.54 -3.77 115.64 111.84 2yux s THR 37 Ca 0.32 -0.08 0.10 0.00 -1.18 0.00 0.00 61.69 60.85 2yux s THR 37 Cb -0.13 -0.77 -0.04 0.00 1.34 0.00 0.00 72.50 72.90 2yux s THR 37 CO 0.25 -0.15 -0.24 -1.66 -0.54 0.00 0.00 174.62 172.28 2yux s TRP 38 N 2.48 2.12 0.41 3.99 -2.14 -1.04 0.20 118.94 124.96 2yux s TRP 38 Ca 0.11 -0.39 -0.00 0.00 2.66 0.00 0.00 56.10 58.47 2yux s TRP 38 Cb -0.16 -1.12 -0.02 0.00 -3.10 0.00 0.00 33.47 29.07 2yux s TRP 38 CO -0.15 0.34 0.64 0.95 -2.66 0.00 0.00 176.95 176.07 2yux s THR 39 N -1.31 4.57 0.93 0.66 -4.23 0.69 -4.80 115.64 112.15 2yux s THR 39 Ca 0.14 -0.39 -0.13 0.00 -1.18 0.00 0.00 61.69 60.13 2yux s THR 39 Cb -0.09 -3.69 0.15 0.00 1.34 0.00 0.00 72.50 70.21 2yux s THR 39 CO 0.06 -0.50 1.15 -2.16 -0.54 0.00 0.00 174.62 172.63 2yux s PRO 40 N -4.49 0.99 0.28 3.99 0.04 -1.26 -3.50 135.00 131.05 2yux s PRO 40 Ca 0.45 0.24 -0.29 0.00 0.04 0.00 0.00 61.00 61.43 2yux s PRO 40 Cb -0.10 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.52 2yux s PRO 40 CO 0.38 -2.29 1.08 -1.25 0.04 0.00 0.00 177.00 174.96 2yux s PRO 41 N -5.32 4.63 0.00 0.56 0.04 -1.26 -3.50 135.00 130.15 2yux s PRO 41 Ca 0.65 1.75 0.25 0.00 0.04 0.00 0.00 61.00 63.69 2yux s PRO 41 Cb -0.14 -3.15 0.54 0.00 0.04 0.00 0.00 34.50 31.79 2yux s PRO 41 CO 0.53 0.22 1.44 1.17 0.04 0.00 0.00 177.00 180.40 2yux n LYS 42 N 1.14 0.09 -3.20 4.56 4.81 -1.26 -4.64 118.16 119.65 2yux n LYS 42 Ca -0.01 -0.05 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 2yux n LYS 42 Cb 0.45 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 33.99 2yux n LYS 42 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2yux s ASP 43 N -2.95 -1.21 -0.02 3.14 -1.08 -1.26 -5.02 116.67 108.28 2yux s ASP 43 Ca 0.12 -0.38 -0.21 0.00 -0.52 0.00 0.00 52.55 51.56 2yux s ASP 43 Cb 0.18 1.82 -0.24 0.00 -1.46 0.00 0.00 42.92 43.22 2yux s ASP 43 CO 0.68 -0.25 1.07 -2.24 0.52 0.00 0.00 175.17 174.95 2yux h ASP 44 N 7.55 0.43 0.00 -0.34 3.04 -1.92 -3.42 116.42 121.75 2yux h ASP 44 Ca 0.01 -0.77 0.00 0.00 -3.24 0.00 0.00 57.03 53.03 2yux h ASP 44 Cb 1.17 -0.13 0.00 0.00 -1.04 0.00 0.00 39.33 39.33 2yux h ASP 44 CO 0.14 1.14 0.00 0.61 -2.04 0.00 0.00 179.24 179.10 2yux n GLY 45 N 1.08 0.77 1.81 7.15 0.00 -1.26 -4.49 105.19 110.25 2yux n GLY 45 Ca -0.10 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 2.43 0.04 -4.57 1.61 3.02 -1.26 -5.04 115.26 111.49 2yux n ASN 46 Ca 0.00 0.26 -0.48 0.00 -0.03 0.00 0.00 54.58 54.33 2yux n ASN 46 Cb 0.00 0.16 -0.05 0.00 -0.61 0.00 0.00 39.78 39.28 2yux n ASN 46 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2yux n ALA 47 N -3.13 1.18 -1.83 5.41 0.00 -1.26 -4.88 120.51 116.00 2yux n ALA 47 Ca 0.00 0.01 -0.41 0.00 0.00 0.00 0.00 53.44 53.04 2yux n ALA 47 Cb 0.04 -2.63 -0.02 0.00 0.00 0.00 0.00 19.45 16.84 2yux n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yux s ALA 48 N 6.50 3.57 -0.23 0.00 0.00 -1.26 -4.88 121.76 125.44 2yux s ALA 48 Ca 1.02 1.32 -0.28 0.00 0.00 0.00 0.00 51.96 54.01 2yux s ALA 48 Cb -0.67 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 18.88 2yux s ALA 48 CO 0.47 -0.72 2.03 0.42 0.00 0.00 0.00 175.76 177.95 2yux s ILE 49 N -0.57 3.20 0.07 0.00 -1.09 -1.26 -4.56 121.20 116.99 2yux s ILE 49 Ca 0.54 0.21 -0.09 0.00 -2.23 0.00 0.00 60.65 59.08 2yux s ILE 49 Cb -0.41 -3.25 -0.28 0.00 -1.58 0.00 0.00 42.46 36.93 2yux s ILE 49 CO 0.49 -0.15 1.14 0.74 -1.23 0.00 0.00 174.94 175.93 2yux h THR 50 N 6.87 1.39 0.00 2.92 2.02 -1.89 -3.49 112.91 120.73 2yux h THR 50 Ca -0.39 -2.73 0.00 0.00 0.77 0.00 0.00 66.41 64.07 2yux h THR 50 Cb 1.21 2.80 0.00 0.00 -1.74 0.00 0.00 68.15 70.42 2yux h THR 50 CO 0.98 0.81 0.00 0.61 0.37 0.00 0.00 175.52 178.29 2yux n GLY 51 N 1.41 0.93 3.61 2.16 0.00 -1.25 -4.85 105.19 107.20 2yux n GLY 51 Ca -0.11 -0.11 -0.03 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.15 -1.03 0.25 1.61 2.02 -1.21 -1.66 117.35 117.19 2yux s TYR 52 Ca 0.00 1.90 -0.10 0.00 -0.37 0.00 0.00 57.07 58.51 2yux s TYR 52 Cb 0.00 0.62 -0.07 0.00 -0.40 0.00 0.00 41.96 42.11 2yux s TYR 52 CO 0.00 -0.51 0.58 0.99 -1.57 0.00 0.00 175.55 175.04 2yux s THR 53 N 2.17 4.91 0.03 -0.71 2.01 -0.20 -3.33 115.64 120.52 2yux s THR 53 Ca -0.07 0.47 0.03 0.00 0.31 0.00 0.00 61.69 62.43 2yux s THR 53 Cb -0.07 -3.64 -0.02 0.00 0.01 0.00 0.00 72.50 68.78 2yux s THR 53 CO -0.18 -0.13 -0.10 -0.63 -0.69 0.00 0.00 174.62 172.88 2yux s ILE 54 N -1.89 0.80 -0.03 1.82 1.09 -0.61 -0.60 121.20 121.78 2yux s ILE 54 Ca 0.48 -0.82 -0.05 0.00 -1.10 0.00 0.00 60.65 59.16 2yux s ILE 54 Cb -0.11 -0.75 0.01 0.00 -1.06 0.00 0.00 42.46 40.55 2yux s ILE 54 CO 0.22 -0.05 0.12 -1.10 -0.10 0.00 0.00 174.94 174.03 2yux s GLN 55 N -0.97 0.26 0.01 2.79 -0.21 -1.11 -1.87 119.66 118.56 2yux s GLN 55 Ca -0.01 -0.06 0.04 0.00 0.02 0.00 0.00 55.36 55.35 2yux s GLN 55 Cb -0.07 0.11 -0.03 0.00 1.00 0.00 0.00 33.01 34.02 2yux s GLN 55 CO 0.01 -0.05 -0.09 -1.59 -2.12 0.00 0.00 175.29 171.44 2yux s LYS 56 N -0.49 2.44 -0.02 2.91 -2.85 -1.26 -2.44 119.74 118.02 2yux s LYS 56 Ca -0.06 -0.79 0.02 0.00 -1.00 0.00 0.00 55.97 54.15 2yux s LYS 56 Cb -0.04 -2.42 0.00 0.00 -2.06 0.00 0.00 37.83 33.31 2yux s LYS 56 CO 0.00 0.59 -0.07 0.00 0.10 0.00 0.00 175.35 175.97 2yux s ALA 57 N -0.98 0.70 0.66 0.59 0.00 0.89 -3.52 121.76 120.10 2yux s ALA 57 Ca 0.17 -0.28 -0.06 0.00 0.00 0.00 0.00 51.96 51.79 2yux s ALA 57 Cb -0.11 -0.25 0.04 0.00 0.00 0.00 0.00 23.12 22.81 2yux s ALA 57 CO 0.07 0.12 0.96 -0.51 0.00 0.00 0.00 175.76 176.41 2yux s ASP 58 N 0.11 5.06 -0.17 0.00 1.01 -1.26 0.33 116.67 121.75 2yux s ASP 58 Ca -0.01 0.48 0.06 0.00 0.71 0.00 0.00 52.55 53.79 2yux s ASP 58 Cb -0.06 -1.24 0.44 0.00 1.01 0.00 0.00 42.92 43.06 2yux s ASP 58 CO 0.00 -1.42 1.29 0.29 0.21 0.00 0.00 175.17 175.54 2yux n LYS 59 N -2.78 2.80 -0.11 8.23 4.76 -1.25 -1.64 118.16 128.17 2yux n LYS 59 Ca 0.07 -1.76 -0.16 0.00 -2.87 0.00 0.00 58.31 53.60 2yux n LYS 59 Cb 0.60 -1.86 -0.09 0.00 -1.84 0.00 0.00 35.03 31.83 2yux n LYS 59 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2yux n LYS 60 N 0.14 0.52 0.00 1.97 4.01 -1.26 -4.87 118.16 118.67 2yux n LYS 60 Ca 0.21 0.13 0.00 0.00 -0.51 0.00 0.00 58.31 58.14 2yux n LYS 60 Cb 0.89 -1.40 0.00 0.00 -0.51 0.00 0.00 35.03 34.01 2yux n LYS 60 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 2yux n SER 61 N -3.24 1.62 -1.62 4.39 7.64 -1.25 -5.03 113.62 116.13 2yux n SER 61 Ca -0.38 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.34 2yux n SER 61 Cb 0.89 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 64.06 2yux n SER 61 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2yux n MET 62 N -2.07 -1.19 -0.08 1.43 2.81 -0.65 -4.86 117.12 112.51 2yux n MET 62 Ca 0.00 0.81 0.06 0.00 -1.81 0.00 0.00 57.70 56.76 2yux n MET 62 Cb 0.23 -5.12 0.23 0.00 -0.71 0.00 0.00 33.22 27.85 2yux n MET 62 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2yux n GLU 63 N -2.49 1.46 -0.52 0.03 1.02 -1.26 -4.91 120.64 113.97 2yux n GLU 63 Ca -0.18 -0.70 0.07 0.00 -0.02 0.00 0.00 57.16 56.33 2yux n GLU 63 Cb 0.61 -1.23 -0.02 0.00 -0.02 0.00 0.00 31.44 30.78 2yux n GLU 63 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 2yux n TRP 64 N 0.01 -2.44 0.00 -0.32 7.02 -1.26 -5.02 117.44 115.43 2yux n TRP 64 Ca 0.10 0.64 0.00 0.00 -1.02 0.00 0.00 57.50 57.22 2yux n TRP 64 Cb 0.19 -1.15 0.00 0.00 -2.42 0.00 0.00 31.31 27.93 2yux n TRP 64 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 2yux n PHE 65 N -1.99 0.00 -3.56 -5.99 3.72 -1.23 -4.95 117.46 103.47 2yux n PHE 65 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.29 2yux n PHE 65 Cb 0.24 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.73 2yux n PHE 65 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2yux s THR 66 N 0.05 0.00 0.00 4.37 2.01 -1.26 -4.93 115.64 115.88 2yux s THR 66 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 2yux s THR 66 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 2yux s THR 66 CO 0.00 0.00 0.00 0.52 -0.69 0.00 0.00 174.62 174.45 2yux n VAL 67 N 0.66 0.00 -3.66 3.82 0.31 -0.78 -4.50 118.33 114.18 2yux n VAL 67 Ca -0.12 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.08 2yux n VAL 67 Cb 0.58 -0.29 -0.08 0.00 -0.91 0.00 0.00 33.84 33.14 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 -1.68 -0.00 -0.05 2.52 1.10 -0.90 -4.98 121.20 117.20 2yux s ILE 68 Ca 0.00 0.00 0.01 0.00 -0.51 0.00 0.00 60.65 60.15 2yux s ILE 68 Cb 0.00 -0.88 0.02 0.00 0.15 0.00 0.00 42.46 41.75 2yux s ILE 68 CO 0.00 0.00 -0.05 -1.61 -2.11 0.00 0.00 174.94 171.17 2yux s GLU 69 N 0.36 0.96 -0.19 3.50 0.41 -1.26 -1.58 118.70 120.90 2yux s GLU 69 Ca -0.00 -0.14 -0.00 0.00 -0.41 0.00 0.00 54.97 54.41 2yux s GLU 69 Cb -0.04 -0.94 -0.01 0.00 -1.78 0.00 0.00 34.13 31.36 2yux s GLU 69 CO 0.00 -0.08 0.17 0.72 -0.49 0.00 0.00 175.26 175.58 2yux n HIS 70 N 4.09 -0.40 -2.47 1.61 8.25 -1.26 -5.04 115.22 120.00 2yux n HIS 70 Ca -0.23 0.16 -0.25 0.00 -0.26 0.00 0.00 57.72 57.13 2yux n HIS 70 Cb 0.51 -2.64 0.14 0.00 1.12 0.00 0.00 29.99 29.12 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 -1.65 -3.17 0.00 4.41 9.36 -1.21 -4.88 117.16 120.01 2yux n TYR 71 Ca -0.03 -1.67 0.00 0.00 3.32 0.00 0.00 57.90 59.52 2yux n TYR 71 Cb 0.53 -0.82 0.00 0.00 -0.63 0.00 0.00 39.34 38.42 2yux n TYR 71 CO 0.00 0.00 0.00 -2.39 0.22 0.00 0.00 176.86 174.69 2yux n HIS 72 N -3.12 0.00 -0.55 2.98 1.44 -1.26 -3.31 115.22 111.39 2yux n HIS 72 Ca 0.17 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.65 2yux n HIS 72 Cb 0.60 0.13 0.16 0.00 0.12 0.00 0.00 29.99 31.01 2yux n HIS 72 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 2yux n ARG 73 N -2.16 -2.27 -0.21 -1.40 3.00 -1.26 -4.75 116.66 107.62 2yux n ARG 73 Ca 0.00 -0.66 0.06 0.00 -0.00 0.00 0.00 57.85 57.24 2yux n ARG 73 Cb 0.00 -1.56 0.16 0.00 0.00 0.00 0.00 32.46 31.06 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 -4.52 1.15 -3.85 5.15 -2.24 -1.26 -4.83 114.28 103.89 2yux n THR 74 Ca 0.05 -1.10 -0.13 0.00 -2.27 0.00 0.00 64.05 60.60 2yux n THR 74 Cb 0.46 0.41 -0.14 0.00 -2.10 0.00 0.00 70.33 68.96 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 -1.11 0.00 -0.14 3.42 1.04 -1.26 -2.48 113.70 113.18 2yux s SER 75 Ca 0.25 0.03 -0.12 0.00 0.48 0.00 0.00 55.95 56.59 2yux s SER 75 Cb 0.14 0.01 0.04 0.00 0.10 0.00 0.00 66.02 66.31 2yux s SER 75 CO 0.15 -0.03 0.36 0.00 0.98 0.00 0.00 173.24 174.70 2yux s ALA 76 N 0.23 -0.89 -0.06 5.32 0.00 -1.25 -5.01 121.76 120.10 2yux s ALA 76 Ca -0.02 1.03 -0.19 0.00 0.00 0.00 0.00 51.96 52.78 2yux s ALA 76 Cb -0.03 -0.60 -0.05 0.00 0.00 0.00 0.00 23.12 22.45 2yux s ALA 76 CO -0.01 -0.17 0.54 0.99 0.00 0.00 0.00 175.76 177.11 2yux s THR 77 N 0.24 5.06 0.52 0.00 2.01 -1.26 -2.90 115.64 119.31 2yux s THR 77 Ca -0.00 1.11 -0.03 0.00 0.31 0.00 0.00 61.69 63.08 2yux s THR 77 Cb -0.03 -3.88 0.00 0.00 0.01 0.00 0.00 72.50 68.61 2yux s THR 77 CO -0.00 0.37 0.78 -0.63 -0.69 0.00 0.00 174.62 174.45 2yux s ILE 78 N 0.23 3.87 0.10 1.82 -1.09 0.08 -4.89 121.20 121.32 2yux s ILE 78 Ca 0.29 -0.24 0.02 0.00 -2.23 0.00 0.00 60.65 58.49 2yux s ILE 78 Cb -0.17 -3.48 -0.01 0.00 -1.58 0.00 0.00 42.46 37.23 2yux s ILE 78 CO 0.14 -0.41 0.09 0.35 -1.23 0.00 0.00 174.94 173.88 2yux n THR 79 N -2.32 0.00 -3.49 2.92 -2.24 -1.26 -2.83 114.28 105.06 2yux n THR 79 Ca 0.03 -0.69 -0.32 0.00 -2.27 0.00 0.00 64.05 60.80 2yux n THR 79 Cb 0.57 0.36 0.03 0.00 -2.10 0.00 0.00 70.33 69.19 2yux n THR 79 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2yux n GLU 80 N -0.19 -1.88 -4.13 -0.78 1.02 -1.24 -4.94 120.64 108.50 2yux n GLU 80 Ca 0.02 1.35 -0.22 0.00 -0.02 0.00 0.00 57.16 58.30 2yux n GLU 80 Cb 0.18 -2.56 -0.17 0.00 -0.02 0.00 0.00 31.44 28.87 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 -3.06 1.24 0.24 -4.62 1.43 -1.25 -5.09 118.68 107.58 2yux s LEU 81 Ca 0.28 -0.16 -0.30 0.00 -1.03 0.00 0.00 54.13 52.92 2yux s LEU 81 Cb -0.03 -0.53 -0.09 0.00 0.03 0.00 0.00 46.19 45.57 2yux s LEU 81 CO 0.87 -0.07 1.12 0.54 0.23 0.00 0.00 176.35 179.04 2yux s VAL 82 N 1.12 3.55 0.07 -1.59 0.11 -1.26 -4.69 120.40 117.70 2yux s VAL 82 Ca -0.08 1.46 -0.30 0.00 -2.93 0.00 0.00 61.98 60.13 2yux s VAL 82 Cb -0.14 -3.93 -0.05 0.00 -1.53 0.00 0.00 36.38 30.73 2yux s VAL 82 CO -0.01 0.31 1.01 -0.63 -3.33 0.00 0.00 175.10 172.45 2yux s ILE 83 N -0.77 4.52 0.00 7.04 1.01 -1.26 -3.25 121.20 128.48 2yux s ILE 83 Ca 0.47 1.94 0.00 0.00 0.00 0.00 0.00 60.65 63.06 2yux s ILE 83 Cb -0.32 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 37.91 2yux s ILE 83 CO 0.39 0.23 0.00 0.61 0.00 0.00 0.00 174.94 176.17 2yux n GLY 84 N 2.60 0.75 3.37 6.18 0.00 -0.50 -5.02 105.19 112.57 2yux n GLY 84 Ca 0.05 -0.55 -0.19 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.51 1.67 0.36 1.61 -0.87 -1.20 -4.97 114.94 109.03 2yux s ASN 85 Ca 0.00 -1.39 0.09 0.00 -1.57 0.00 0.00 52.86 49.99 2yux s ASN 85 Cb 0.00 0.07 -0.07 0.00 -0.02 0.00 0.00 41.25 41.23 2yux s ASN 85 CO 0.00 -0.69 -0.04 -0.70 -2.57 0.00 0.00 177.10 173.10 2yux s GLU 86 N -3.97 1.91 0.26 -0.60 2.12 -1.26 -1.70 118.70 115.46 2yux s GLU 86 Ca 0.37 -1.94 -0.11 0.00 0.36 0.00 0.00 54.97 53.65 2yux s GLU 86 Cb 0.08 -1.74 -0.00 0.00 0.26 0.00 0.00 34.13 32.73 2yux s GLU 86 CO 0.14 0.08 0.47 0.71 -0.54 0.00 0.00 175.26 176.13 2yux s TYR 87 N -2.62 0.50 -0.01 5.30 2.02 -1.03 -3.82 117.35 117.70 2yux s TYR 87 Ca 0.34 -0.85 0.01 0.00 -0.37 0.00 0.00 57.07 56.20 2yux s TYR 87 Cb 0.04 0.13 0.00 0.00 -0.40 0.00 0.00 41.96 41.73 2yux s TYR 87 CO 0.18 -1.02 -0.02 0.71 -1.57 0.00 0.00 175.55 173.83 2yux s TYR 88 N -3.82 0.26 0.21 2.71 2.02 0.15 -3.44 117.35 115.43 2yux s TYR 88 Ca 0.24 -0.04 0.11 0.00 -0.37 0.00 0.00 57.07 57.02 2yux s TYR 88 Cb -0.00 -0.20 -0.04 0.00 -0.40 0.00 0.00 41.96 41.31 2yux s TYR 88 CO 0.11 -0.02 -0.21 -0.06 -1.57 0.00 0.00 175.55 173.80 2yux s PHE 89 N 0.11 2.36 -0.19 2.71 0.08 -1.26 -0.08 117.98 121.71 2yux s PHE 89 Ca -0.01 -0.33 -0.08 0.00 0.12 0.00 0.00 56.93 56.63 2yux s PHE 89 Cb -0.03 -1.14 0.08 0.00 -0.57 0.00 0.00 43.02 41.35 2yux s PHE 89 CO -0.00 0.54 0.43 1.03 -0.10 0.00 0.00 175.22 177.11 2yux s ARG 90 N -2.84 0.37 -0.13 0.44 0.52 -1.02 -3.48 118.95 112.81 2yux s ARG 90 Ca 0.23 0.95 -0.11 0.00 -0.52 0.00 0.00 55.73 56.28 2yux s ARG 90 Cb -0.08 0.19 -0.05 0.00 0.52 0.00 0.00 34.95 35.53 2yux s ARG 90 CO 0.12 -0.21 0.23 0.08 0.02 0.00 0.00 175.30 175.53 2yux s VAL 91 N 2.08 5.35 -0.14 3.52 1.01 -1.24 -2.75 120.40 128.22 2yux s VAL 91 Ca -0.05 0.41 0.02 0.00 0.00 0.00 0.00 61.98 62.36 2yux s VAL 91 Cb -0.10 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.76 2yux s VAL 91 CO -0.13 0.51 -0.21 -0.36 0.00 0.00 0.00 175.10 174.91 2yux s PHE 92 N -0.30 2.57 -0.36 5.22 0.40 0.23 -3.66 117.98 122.08 2yux s PHE 92 Ca 0.15 -1.33 -0.28 0.00 -0.60 0.00 0.00 56.93 54.88 2yux s PHE 92 Cb -0.13 -1.77 -0.04 0.00 0.51 0.00 0.00 43.02 41.59 2yux s PHE 92 CO 0.04 -0.62 2.08 -1.12 0.70 0.00 0.00 175.22 176.30 2yux s SER 93 N 0.93 5.35 0.72 1.36 0.01 -1.26 -1.03 113.70 119.78 2yux s SER 93 Ca -0.05 1.35 -0.11 0.00 1.31 0.00 0.00 55.95 58.45 2yux s SER 93 Cb -0.15 -2.52 0.02 0.00 0.21 0.00 0.00 66.02 63.59 2yux s SER 93 CO -0.04 -2.13 1.07 -0.70 0.41 0.00 0.00 173.24 171.86 2yux s GLU 94 N 6.62 2.74 0.00 12.44 -6.30 -0.66 -3.43 118.70 130.11 2yux s GLU 94 Ca 0.89 0.74 0.00 0.00 -2.50 0.00 0.00 54.97 54.11 2yux s GLU 94 Cb -0.24 -1.98 0.00 0.00 0.00 0.00 0.00 34.13 31.91 2yux s GLU 94 CO 0.31 -1.18 0.00 -1.71 0.02 0.00 0.00 175.26 172.70 2yux n ASN 95 N -3.15 0.00 0.24 -1.70 2.85 -0.81 -3.18 115.26 109.51 2yux n ASN 95 Ca 0.07 0.00 0.10 0.00 -0.11 0.00 0.00 54.58 54.65 2yux n ASN 95 Cb 0.55 0.00 0.60 0.00 1.24 0.00 0.00 39.78 42.17 2yux n ASN 95 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2yux h MET 96 N 0.00 0.00 -0.05 1.20 -0.00 -1.95 -2.69 114.93 111.43 2yux h MET 96 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.60 2yux h MET 96 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.61 2yux h MET 96 CO 0.00 0.19 -0.36 0.00 -0.00 0.00 0.00 176.91 176.74 2yux n GLY 98 N 0.79 -0.03 3.88 0.00 0.00 -1.02 -5.11 105.19 103.71 2yux n GLY 98 Ca -0.09 -0.60 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 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 3.44 -0.08 0.99 2.01 -1.26 -1.92 118.68 121.86 2yux s LEU 99 Ca 0.00 -0.69 -0.26 0.00 0.01 0.00 0.00 54.13 53.19 2yux s LEU 99 Cb 0.00 -2.12 -0.03 0.00 0.01 0.00 0.00 46.19 44.05 2yux s LEU 99 CO 0.00 -0.62 0.83 -0.94 1.01 0.00 0.00 176.35 176.63 2yux s SER 100 N -4.13 7.10 0.30 2.29 1.04 -1.22 -4.90 113.70 114.18 2yux s SER 100 Ca 0.48 1.34 0.03 0.00 0.48 0.00 0.00 55.95 58.27 2yux s SER 100 Cb -0.04 -2.47 0.77 0.00 0.10 0.00 0.00 66.02 64.37 2yux s SER 100 CO 0.28 -0.24 1.62 -0.08 0.98 0.00 0.00 173.24 175.80 2yux h GLU 101 N 6.93 0.14 -6.39 4.02 4.81 -1.96 -3.39 114.58 118.74 2yux h GLU 101 Ca -0.38 -0.01 -0.63 0.00 -0.13 0.00 0.00 59.36 58.22 2yux h GLU 101 Cb 1.18 -0.03 -0.12 0.00 0.63 0.00 0.00 28.75 30.41 2yux h GLU 101 CO 0.78 0.09 -0.68 -0.51 -0.73 0.00 0.00 179.01 177.96 2yux s ASP 102 N -5.02 4.72 0.02 1.04 1.11 -1.26 -5.13 116.67 112.15 2yux s ASP 102 Ca -0.12 -0.35 0.05 0.00 0.18 0.00 0.00 52.55 52.31 2yux s ASP 102 Cb 0.27 -1.00 -0.02 0.00 1.07 0.00 0.00 42.92 43.24 2yux s ASP 102 CO 0.77 0.13 -0.16 0.00 1.18 0.00 0.00 175.17 177.09 2yux s ALA 103 N -1.53 1.32 -0.44 5.23 0.00 -1.26 -4.41 121.76 120.67 2yux s ALA 103 Ca 0.26 -0.81 -0.23 0.00 0.00 0.00 0.00 51.96 51.18 2yux s ALA 103 Cb -0.10 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.78 2yux s ALA 103 CO 0.17 0.29 0.76 0.99 0.00 0.00 0.00 175.76 177.97 2yux s THR 104 N -0.66 4.68 0.22 0.00 2.01 -1.24 -4.95 115.64 115.70 2yux s THR 104 Ca 0.04 0.40 -0.18 0.00 0.31 0.00 0.00 61.69 62.26 2yux s THR 104 Cb -0.07 -4.30 -0.08 0.00 0.01 0.00 0.00 72.50 68.06 2yux s THR 104 CO 0.01 -0.69 0.70 -0.32 -0.69 0.00 0.00 174.62 173.63 2yux s MET 105 N 3.21 4.17 -0.14 4.92 1.75 -1.26 -3.68 119.30 128.27 2yux s MET 105 Ca 0.29 0.78 -0.37 0.00 -1.25 0.00 0.00 55.69 55.14 2yux s MET 105 Cb -0.12 -2.82 -0.14 0.00 2.84 0.00 0.00 34.83 34.59 2yux s MET 105 CO 0.22 0.37 1.77 0.25 -0.65 0.00 0.00 175.02 176.98 2yux n THR 106 N 0.58 0.39 -0.62 10.11 -2.24 -1.23 -4.75 114.28 116.53 2yux n THR 106 Ca -0.02 -0.07 0.49 0.00 -2.27 0.00 0.00 64.05 62.18 2yux n THR 106 Cb 0.51 -1.52 0.80 0.00 -2.10 0.00 0.00 70.33 68.03 2yux n THR 106 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2yux h LYS 107 N 7.87 0.01 -4.97 -0.78 3.11 -1.94 -3.38 116.57 116.47 2yux h LYS 107 Ca -0.47 -0.00 -0.30 0.00 -2.81 0.00 0.00 60.65 57.06 2yux h LYS 107 Cb 1.29 -0.00 -0.15 0.00 -1.00 0.00 0.00 32.23 32.37 2yux h LYS 107 CO 0.94 0.00 -0.71 -1.21 -2.81 0.00 0.00 179.45 175.66 2yux s GLU 108 N -4.91 0.99 0.72 1.90 2.02 -1.26 -5.16 118.70 113.00 2yux s GLU 108 Ca -0.05 -1.40 -0.04 0.00 0.02 0.00 0.00 54.97 53.50 2yux s GLU 108 Cb 0.26 -0.53 0.11 0.00 0.10 0.00 0.00 34.13 34.07 2yux s GLU 108 CO 0.87 0.06 1.00 -1.54 0.02 0.00 0.00 175.26 175.67 2yux s SER 109 N -3.07 4.44 -0.16 -0.19 1.04 -1.26 -4.93 113.70 109.57 2yux s SER 109 Ca 0.15 -0.05 0.01 0.00 0.48 0.00 0.00 55.95 56.54 2yux s SER 109 Cb 0.03 -0.43 0.02 0.00 0.10 0.00 0.00 66.02 65.73 2yux s SER 109 CO -0.01 -1.80 -0.18 0.00 0.98 0.00 0.00 173.24 172.24 2yux s ALA 110 N -3.20 2.14 -0.18 5.32 0.00 -1.22 -5.02 121.76 119.61 2yux s ALA 110 Ca 0.64 -1.09 -0.06 0.00 0.00 0.00 0.00 51.96 51.46 2yux s ALA 110 Cb -0.07 -1.11 -0.03 0.00 0.00 0.00 0.00 23.12 21.91 2yux s ALA 110 CO 0.44 -0.32 0.02 0.14 0.00 0.00 0.00 175.76 176.04 2yux s VAL 111 N 1.30 4.30 -0.08 0.00 -7.23 -1.26 -2.45 120.40 114.97 2yux s VAL 111 Ca 0.03 -0.21 -0.27 0.00 -1.81 0.00 0.00 61.98 59.73 2yux s VAL 111 Cb -0.13 -2.92 -0.03 0.00 0.56 0.00 0.00 36.38 33.86 2yux s VAL 111 CO -0.11 0.46 0.86 -0.63 -0.31 0.00 0.00 175.10 175.37 2yux s ILE 112 N 0.52 4.92 0.00 -0.62 -1.09 -0.69 -4.88 121.20 119.36 2yux s ILE 112 Ca 0.00 1.75 0.00 0.00 -2.23 0.00 0.00 60.65 60.17 2yux s ILE 112 Cb -0.14 -4.18 0.00 0.00 -1.58 0.00 0.00 42.46 36.56 2yux s ILE 112 CO 0.02 0.14 0.56 0.00 -1.23 0.00 0.00 174.94 174.43 2yux n ALA 113 N 4.32 1.31 -1.38 9.38 0.00 -1.26 -1.41 120.51 131.46 2yux n ALA 113 Ca 0.04 -0.56 -0.13 0.00 0.00 0.00 0.00 53.44 52.78 2yux n ALA 113 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.90 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 -0.15 -0.93 -3.51 0.00 0.63 -1.26 -4.94 116.66 106.51 2yux n ARG 114 Ca 0.00 0.96 -0.09 0.00 -0.92 0.00 0.00 57.85 57.80 2yux n ARG 114 Cb 0.32 -5.03 -0.03 0.00 0.45 0.00 0.00 32.46 28.18 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 -2.85 -0.39 0.29 6.15 2.15 -1.26 -4.26 116.67 116.50 2yux s ASP 115 Ca 0.00 0.08 -0.21 0.00 0.43 0.00 0.00 52.55 52.85 2yux s ASP 115 Cb 0.00 0.39 -0.09 0.00 -0.30 0.00 0.00 42.92 42.92 2yux s ASP 115 CO 0.00 -0.61 0.83 -0.83 -0.17 0.00 0.00 175.17 174.39 2yux s GLY 116 N -2.27 2.62 0.10 2.66 0.00 -1.25 -4.72 107.32 104.47 2yux s GLY 116 Ca 0.03 0.30 0.05 0.00 0.00 0.00 0.00 44.72 45.10 2yux s GLY 116 CO -0.07 0.66 -0.12 -1.59 0.00 0.00 0.00 173.10 171.98 2yux s LYS 117 N -2.26 0.91 0.46 2.90 -2.85 -1.26 -5.06 119.74 112.58 2yux s LYS 117 Ca 0.49 -1.16 0.00 0.00 -1.00 0.00 0.00 55.97 54.30 2yux s LYS 117 Cb -0.16 -0.72 0.00 0.00 -2.06 0.00 0.00 37.83 34.90 2yux s LYS 117 CO 0.21 0.13 0.00 -0.89 0.10 0.00 0.00 175.35 174.90 2yux n ILE 118 N 0.65 -4.82 -0.01 3.79 5.41 -1.26 -4.96 119.36 118.16 2yux n ILE 118 Ca -0.16 2.12 0.00 0.00 1.00 0.00 0.00 62.75 65.71 2yux n ILE 118 Cb 0.57 -2.92 0.00 0.00 -0.71 0.00 0.00 39.64 36.58 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 -0.89 -1.39 0.00 1.39 4.01 -1.26 -5.13 117.16 113.88 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 1.17 -0.46 0.00 0.00 176.86 177.57