#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 -6.41 -4.76 1.61 3.41 -1.26 -4.87 113.62 101.33 2yux n SER 2 Ca 0.00 0.92 -0.36 0.00 -0.26 0.00 0.00 58.87 59.17 2yux n SER 2 Cb 0.00 -3.12 0.03 0.00 -0.26 0.00 0.00 64.21 60.85 2yux n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2yux s SER 3 N -0.97 5.29 0.00 4.04 0.01 -1.26 -4.89 113.70 115.92 2yux s SER 3 Ca -0.04 2.36 0.00 0.00 1.31 0.00 0.00 55.95 59.58 2yux s SER 3 Cb 0.00 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2yux s SER 3 CO 0.33 -1.52 0.00 0.61 0.41 0.00 0.00 173.24 173.06 2yux n GLY 4 N 0.46 2.48 1.77 3.44 0.00 -1.26 -5.07 105.19 107.01 2yux n GLY 4 Ca 0.13 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 44.12 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 0.11 -3.86 1.61 2.88 -1.26 -5.13 113.62 107.97 2yux n SER 5 Ca 0.00 0.38 -0.11 0.00 -1.33 0.00 0.00 58.87 57.81 2yux n SER 5 Cb 0.00 0.22 -0.09 0.00 -0.75 0.00 0.00 64.21 63.59 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 -5.22 0.04 0.00 -3.46 0.15 -1.26 -5.10 113.70 98.85 2yux s SER 6 Ca 0.00 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.34 2yux s SER 6 Cb 0.00 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 2yux s SER 6 CO 0.00 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.56 2yux n GLY 7 N 0.97 0.75 2.79 9.45 0.00 -1.26 -5.15 105.19 112.75 2yux n GLY 7 Ca -0.20 0.12 0.02 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 -4.35 0.00 4.61 0.00 -1.26 -5.03 121.76 115.73 2yux s ALA 8 Ca 0.00 1.24 0.00 0.00 0.00 0.00 0.00 51.96 53.20 2yux s ALA 8 Cb 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.12 2yux s ALA 8 CO 0.00 -2.48 0.00 0.43 0.00 0.00 0.00 175.76 173.71 2yux n SER 9 N 3.74 0.00 -3.93 0.00 7.64 -1.26 -5.01 113.62 114.80 2yux n SER 9 Ca 0.06 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.51 2yux n SER 9 Cb 0.63 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.84 2yux n SER 9 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2yux n ILE 10 N 0.00 5.44 -3.85 0.44 -0.00 -1.26 -4.93 119.36 115.20 2yux n ILE 10 Ca 0.00 -5.86 -0.35 0.00 -0.00 0.00 0.00 62.75 56.54 2yux n ILE 10 Cb 0.00 -2.00 -0.13 0.00 -0.00 0.00 0.00 39.64 37.52 2yux n ILE 10 CO 0.00 0.00 0.00 -1.81 -0.00 0.00 0.00 176.55 174.74 2yux s ASP 11 N -1.59 5.09 -1.08 4.38 1.01 -1.26 -5.02 116.67 118.20 2yux s ASP 11 Ca 0.33 -1.87 -0.23 0.00 0.71 0.00 0.00 52.55 51.49 2yux s ASP 11 Cb 0.08 -1.77 -0.08 0.00 1.01 0.00 0.00 42.92 42.16 2yux s ASP 11 CO 0.06 -0.45 1.95 -0.63 0.21 0.00 0.00 175.17 176.31 2yux s ILE 12 N 1.13 3.49 0.10 0.77 1.01 -1.26 -4.92 121.20 121.52 2yux s ILE 12 Ca 0.05 -0.70 -0.20 0.00 0.00 0.00 0.00 60.65 59.81 2yux s ILE 12 Cb -0.21 -4.34 -0.07 0.00 0.01 0.00 0.00 42.46 37.84 2yux s ILE 12 CO -0.04 -0.93 0.60 0.00 0.00 0.00 0.00 174.94 174.57 2yux s GLN 13 N 6.74 4.24 -0.33 2.79 -2.07 -1.26 -5.05 119.66 124.72 2yux s GLN 13 Ca 0.70 0.78 0.02 0.00 -1.82 0.00 0.00 55.36 55.04 2yux s GLN 13 Cb -0.03 -3.21 0.10 0.00 -1.09 0.00 0.00 33.01 28.78 2yux s GLN 13 CO 0.09 0.61 0.07 0.42 -1.32 0.00 0.00 175.29 175.16 2yux s ILE 14 N -1.15 1.79 0.71 3.63 1.01 -1.26 -5.10 121.20 120.83 2yux s ILE 14 Ca 0.31 -2.04 -0.16 0.00 0.00 0.00 0.00 60.65 58.75 2yux s ILE 14 Cb -0.20 -2.33 0.00 0.00 0.01 0.00 0.00 42.46 39.95 2yux s ILE 14 CO 0.20 -0.63 1.01 2.30 0.00 0.00 0.00 174.94 177.81 2yux n ILE 15 N 4.42 3.05 0.00 2.92 -5.35 -1.26 -4.87 119.36 118.27 2yux n ILE 15 Ca 0.02 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 2yux n ILE 15 Cb 0.42 -1.14 0.00 0.00 -1.74 0.00 0.00 39.64 37.17 2yux n ILE 15 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2yux n ASP 16 N -1.71 0.00 -4.11 7.28 2.03 -1.26 -5.14 116.55 113.64 2yux n ASP 16 Ca 0.13 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 55.09 2yux n ASP 16 Cb 0.49 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 40.98 2yux n ASP 16 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2yux n ARG 17 N -0.57 -0.73 -2.41 -0.67 1.74 -1.26 -4.81 116.66 107.95 2yux n ARG 17 Ca 0.00 -0.21 -0.43 0.00 -0.77 0.00 0.00 57.85 56.45 2yux n ARG 17 Cb 0.00 -1.30 -0.02 0.00 -1.02 0.00 0.00 32.46 30.12 2yux n ARG 17 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2yux s PRO 18 N -2.63 4.21 0.69 5.56 0.04 -1.26 -4.99 135.00 136.61 2yux s PRO 18 Ca 0.44 1.65 -0.17 0.00 0.04 0.00 0.00 61.00 62.97 2yux s PRO 18 Cb 0.01 -3.78 0.01 0.00 0.04 0.00 0.00 34.50 30.79 2yux s PRO 18 CO 0.65 -0.74 1.27 0.20 0.04 0.00 0.00 177.00 178.43 2yux s GLY 19 N 2.08 2.68 1.00 0.56 0.00 -1.26 -4.60 107.32 107.78 2yux s GLY 19 Ca 0.55 1.13 -0.15 0.00 0.00 0.00 0.00 44.72 46.25 2yux s GLY 19 CO 0.16 1.56 1.18 2.56 0.00 0.00 0.00 173.10 178.55 2yux s PRO 20 N -3.58 0.43 0.33 2.90 0.04 -1.26 -4.72 135.00 129.14 2yux s PRO 20 Ca 0.80 0.02 -0.27 0.00 0.04 0.00 0.00 61.00 61.59 2yux s PRO 20 Cb -0.36 -1.78 -0.09 0.00 0.04 0.00 0.00 34.50 32.31 2yux s PRO 20 CO 0.43 -2.62 1.07 -1.25 0.04 0.00 0.00 177.00 174.66 2yux s PRO 21 N -5.47 4.46 0.11 0.56 0.04 -1.26 -4.57 135.00 128.87 2yux s PRO 21 Ca 0.68 1.67 -0.29 0.00 0.04 0.00 0.00 61.00 63.10 2yux s PRO 21 Cb -0.11 -2.93 -0.10 0.00 0.04 0.00 0.00 34.50 31.40 2yux s PRO 21 CO 0.54 0.09 1.48 1.96 0.04 0.00 0.00 177.00 181.11 2yux h GLN 22 N 3.30 -0.35 -3.77 4.56 4.20 -1.59 -3.44 115.11 118.02 2yux h GLN 22 Ca -0.47 0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.16 2yux h GLN 22 Cb 1.21 0.08 -0.16 0.00 0.30 0.00 0.00 27.48 28.91 2yux h GLN 22 CO 0.65 -0.23 -0.44 -1.50 -0.67 0.00 0.00 178.83 176.64 2yux s ILE 23 N -5.30 0.14 -0.15 2.54 2.07 -1.26 -4.96 121.20 114.28 2yux s ILE 23 Ca -0.13 -1.13 -0.03 0.00 -1.41 0.00 0.00 60.65 57.95 2yux s ILE 23 Cb 0.07 -1.12 0.05 0.00 0.13 0.00 0.00 42.46 41.59 2yux s ILE 23 CO 0.53 -0.63 0.05 -0.69 -1.91 0.00 0.00 174.94 172.29 2yux s VAL 24 N -3.18 0.26 0.39 4.00 1.01 -1.26 -0.01 120.40 121.60 2yux s VAL 24 Ca -0.00 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.81 2yux s VAL 24 Cb 0.02 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.65 2yux s VAL 24 CO -0.07 -0.09 0.07 -1.59 0.00 0.00 0.00 175.10 173.42 2yux s LYS 25 N 1.99 1.85 -0.29 2.72 -2.85 0.52 -4.28 119.74 119.41 2yux s LYS 25 Ca 0.02 -2.09 -0.03 0.00 -1.00 0.00 0.00 55.97 52.86 2yux s LYS 25 Cb -0.15 -0.94 0.04 0.00 -2.06 0.00 0.00 37.83 34.72 2yux s LYS 25 CO -0.07 -0.30 0.01 0.42 0.10 0.00 0.00 175.35 175.51 2yux s ILE 26 N -3.16 3.20 0.26 3.79 1.01 -1.26 0.20 121.20 125.24 2yux s ILE 26 Ca 0.27 -1.19 -0.02 0.00 0.00 0.00 0.00 60.65 59.72 2yux s ILE 26 Cb 0.06 -2.76 0.26 0.00 0.01 0.00 0.00 42.46 40.02 2yux s ILE 26 CO 0.14 -0.03 1.69 -0.08 0.00 0.00 0.00 174.94 176.65 2yux h GLU 27 N 8.06 0.30 0.00 2.79 4.22 -0.31 -3.46 114.58 126.18 2yux h GLU 27 Ca -0.25 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.17 2yux h GLU 27 Cb 1.08 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.26 2yux h GLU 27 CO 0.56 0.20 0.00 -3.47 -2.18 0.00 0.00 179.01 174.12 2yux n ASP 28 N -5.12 0.00 -3.69 1.04 -0.08 -1.17 -4.98 116.55 102.54 2yux n ASP 28 Ca 0.17 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.31 2yux n ASP 28 Cb 0.54 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.86 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 -0.24 -0.09 5.18 0.11 -1.26 0.17 120.40 122.26 2yux s VAL 29 Ca 0.00 0.25 0.02 0.00 -2.93 0.00 0.00 61.98 59.32 2yux s VAL 29 Cb 0.00 -0.38 0.01 0.00 -1.53 0.00 0.00 36.38 34.48 2yux s VAL 29 CO 0.00 0.10 -0.15 -1.66 -3.33 0.00 0.00 175.10 170.06 2yux s TRP 30 N 1.94 1.88 0.00 1.54 -2.14 0.36 -4.36 118.94 118.16 2yux s TRP 30 Ca -0.03 -0.81 0.00 0.00 2.66 0.00 0.00 56.10 57.92 2yux s TRP 30 Cb -0.11 -1.35 0.00 0.00 -3.10 0.00 0.00 33.47 28.91 2yux s TRP 30 CO -0.08 -0.40 0.00 0.41 -2.66 0.00 0.00 176.95 174.22 2yux n GLY 31 N 3.99 2.30 2.17 3.67 0.00 0.26 0.14 105.19 117.72 2yux n GLY 31 Ca -0.20 0.27 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 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 14.00 2.32 -3.74 1.61 1.02 -1.26 -3.74 120.64 130.85 2yux n GLU 32 Ca 0.00 -2.57 -0.14 0.00 -0.02 0.00 0.00 57.16 54.43 2yux n GLU 32 Cb 0.00 -2.01 -0.15 0.00 -0.02 0.00 0.00 31.44 29.26 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 -0.94 0.06 0.18 1.62 0.01 0.36 -3.88 114.94 112.36 2yux s ASN 33 Ca 0.51 0.24 0.11 0.00 -0.71 0.00 0.00 52.86 53.00 2yux s ASN 33 Cb 0.40 0.13 -0.04 0.00 0.41 0.00 0.00 41.25 42.14 2yux s ASN 33 CO -0.02 -0.16 -0.23 -0.69 -1.51 0.00 0.00 177.10 174.49 2yux s VAL 34 N 1.30 2.42 -0.15 1.60 1.01 -1.15 0.13 120.40 125.57 2yux s VAL 34 Ca -0.07 -1.96 0.01 0.00 0.00 0.00 0.00 61.98 59.95 2yux s VAL 34 Cb -0.12 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.13 2yux s VAL 34 CO -0.05 -0.09 -0.16 0.00 0.00 0.00 0.00 175.10 174.80 2yux s ALA 35 N -1.59 1.97 0.10 5.51 0.00 0.45 -1.91 121.76 126.28 2yux s ALA 35 Ca 0.20 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.23 2yux s ALA 35 Cb -0.08 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 2yux s ALA 35 CO 0.10 -0.30 0.12 -0.51 0.00 0.00 0.00 175.76 175.18 2yux s LEU 36 N 1.31 3.92 -0.22 0.00 1.43 -1.13 0.38 118.68 124.36 2yux s LEU 36 Ca 0.02 0.01 -0.03 0.00 -1.03 0.00 0.00 54.13 53.10 2yux s LEU 36 Cb -0.13 -2.56 0.12 0.00 0.03 0.00 0.00 46.19 43.64 2yux s LEU 36 CO -0.09 0.14 0.34 0.42 0.23 0.00 0.00 176.35 177.39 2yux s THR 37 N -1.51 -0.53 0.13 5.49 -4.23 0.52 -3.74 115.64 111.77 2yux s THR 37 Ca 0.31 -0.05 0.10 0.00 -1.18 0.00 0.00 61.69 60.87 2yux s THR 37 Cb -0.12 -0.75 -0.04 0.00 1.34 0.00 0.00 72.50 72.93 2yux s THR 37 CO 0.24 -0.12 -0.23 -1.66 -0.54 0.00 0.00 174.62 172.31 2yux s TRP 38 N 2.49 2.02 0.29 3.99 -2.14 -0.95 0.20 118.94 124.83 2yux s TRP 38 Ca 0.10 -0.41 0.02 0.00 2.66 0.00 0.00 56.10 58.47 2yux s TRP 38 Cb -0.15 -1.07 -0.03 0.00 -3.10 0.00 0.00 33.47 29.12 2yux s TRP 38 CO -0.14 0.31 0.45 0.95 -2.66 0.00 0.00 176.95 175.86 2yux s THR 39 N -1.36 5.18 0.75 0.66 -4.23 0.99 -4.75 115.64 112.87 2yux s THR 39 Ca 0.12 -0.66 -0.11 0.00 -1.18 0.00 0.00 61.69 59.86 2yux s THR 39 Cb -0.09 -3.84 0.04 0.00 1.34 0.00 0.00 72.50 69.95 2yux s THR 39 CO 0.06 -0.42 1.08 -2.16 -0.54 0.00 0.00 174.62 172.64 2yux s PRO 40 N -4.05 2.49 0.41 3.99 0.04 -1.26 -2.95 135.00 133.66 2yux s PRO 40 Ca 0.37 0.79 -0.24 0.00 0.04 0.00 0.00 61.00 61.96 2yux s PRO 40 Cb -0.10 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 2yux s PRO 40 CO 0.32 -1.37 1.05 -1.25 0.04 0.00 0.00 177.00 175.79 2yux s PRO 41 N -5.11 4.11 0.00 0.56 0.04 -1.26 -3.59 135.00 129.76 2yux s PRO 41 Ca 0.59 1.51 0.30 0.00 0.04 0.00 0.00 61.00 63.44 2yux s PRO 41 Cb -0.14 -2.49 1.43 0.00 0.04 0.00 0.00 34.50 33.34 2yux s PRO 41 CO 0.55 -0.19 1.97 1.63 0.04 0.00 0.00 177.00 181.00 2yux n LYS 42 N -0.18 0.80 -4.06 4.56 5.02 -1.26 -4.77 118.16 118.28 2yux n LYS 42 Ca 0.06 -0.20 -0.36 0.00 -2.02 0.00 0.00 58.31 55.78 2yux n LYS 42 Cb 0.50 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.94 2yux n LYS 42 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2yux s ASP 43 N -2.33 5.93 -0.30 4.39 -4.77 -1.26 -5.06 116.67 113.27 2yux s ASP 43 Ca 0.34 0.32 -0.03 0.00 -3.30 0.00 0.00 52.55 49.89 2yux s ASP 43 Cb 0.21 -1.86 0.19 0.00 -1.09 0.00 0.00 42.92 40.37 2yux s ASP 43 CO 0.43 0.38 0.78 1.51 0.70 0.00 0.00 175.17 178.97 2yux s ASP 44 N -0.84 -1.10 0.00 2.11 -4.77 -1.26 -4.96 116.67 105.84 2yux s ASP 44 Ca 0.13 0.29 0.00 0.00 -3.30 0.00 0.00 52.55 49.67 2yux s ASP 44 Cb -0.12 1.76 0.00 0.00 -1.09 0.00 0.00 42.92 43.47 2yux s ASP 44 CO 0.03 -0.20 0.00 0.61 0.70 0.00 0.00 175.17 176.31 2yux n GLY 45 N 5.34 -0.79 3.38 2.12 0.00 -1.26 -5.09 105.19 108.91 2yux n GLY 45 Ca 0.03 0.22 -0.44 0.00 0.00 0.00 0.00 46.02 45.84 2yux n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yux s ASN 46 N 0.00 6.09 -0.07 1.61 2.20 -1.26 -4.68 114.94 118.83 2yux s ASN 46 Ca 0.00 -1.30 -0.00 0.00 -0.94 0.00 0.00 52.86 50.62 2yux s ASN 46 Cb 0.00 -2.16 0.00 0.00 -2.00 0.00 0.00 41.25 37.09 2yux s ASN 46 CO 0.00 -0.61 0.01 0.00 -2.94 0.00 0.00 177.10 173.55 2yux n ALA 47 N 5.17 -3.12 -1.72 3.54 0.00 -1.26 -4.74 120.51 118.37 2yux n ALA 47 Ca -0.12 0.16 -0.39 0.00 0.00 0.00 0.00 53.44 53.09 2yux n ALA 47 Cb 0.44 -0.33 0.03 0.00 0.00 0.00 0.00 19.45 19.60 2yux n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2yux n ALA 48 N 0.19 1.46 -1.82 0.00 0.00 -1.26 -4.84 120.51 114.24 2yux n ALA 48 Ca -0.01 0.17 -0.42 0.00 0.00 0.00 0.00 53.44 53.17 2yux n ALA 48 Cb 0.02 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 17.12 2yux n ALA 48 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2yux s ILE 49 N -1.27 3.26 -0.02 0.00 1.09 -1.26 -4.79 121.20 118.21 2yux s ILE 49 Ca 0.68 0.26 -0.18 0.00 -1.10 0.00 0.00 60.65 60.30 2yux s ILE 49 Cb -0.44 -3.37 -0.10 0.00 -1.06 0.00 0.00 42.46 37.49 2yux s ILE 49 CO 0.52 -0.25 0.77 0.74 -0.10 0.00 0.00 174.94 176.63 2yux h THR 50 N 6.99 0.00 -1.16 2.92 2.02 -1.87 -3.50 112.91 118.32 2yux h THR 50 Ca -0.36 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.33 2yux h THR 50 Cb 1.20 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.61 2yux h THR 50 CO 1.02 0.00 0.00 0.61 0.37 0.00 0.00 175.52 177.52 2yux n GLY 51 N 0.08 3.08 2.80 2.16 0.00 -1.26 -4.79 105.19 107.26 2yux n GLY 51 Ca -0.08 -0.87 -0.17 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.65 -0.30 0.15 1.61 2.02 0.49 -2.51 117.35 115.16 2yux s TYR 52 Ca 0.00 0.40 -0.30 0.00 -0.37 0.00 0.00 57.07 56.80 2yux s TYR 52 Cb 0.00 -0.29 -0.07 0.00 -0.40 0.00 0.00 41.96 41.20 2yux s TYR 52 CO 0.00 -0.53 0.95 0.99 -1.57 0.00 0.00 175.55 175.39 2yux s THR 53 N 2.34 4.36 -0.11 -0.71 2.01 -1.23 -3.47 115.64 118.84 2yux s THR 53 Ca 0.06 2.06 0.04 0.00 0.31 0.00 0.00 61.69 64.16 2yux s THR 53 Cb -0.15 -4.32 0.00 0.00 0.01 0.00 0.00 72.50 68.04 2yux s THR 53 CO -0.11 0.38 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.34 2yux s ILE 54 N -0.41 2.09 0.02 1.82 1.01 -0.87 -0.82 121.20 124.04 2yux s ILE 54 Ca 0.45 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 60.11 2yux s ILE 54 Cb -0.24 -1.80 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 2yux s ILE 54 CO 0.30 0.56 -0.05 -1.10 0.00 0.00 0.00 174.94 174.65 2yux s GLN 55 N 0.40 0.41 0.19 2.79 -0.21 -1.18 0.23 119.66 122.29 2yux s GLN 55 Ca -0.17 -0.53 0.11 0.00 0.02 0.00 0.00 55.36 54.79 2yux s GLN 55 Cb -0.18 -0.20 -0.04 0.00 1.00 0.00 0.00 33.01 33.59 2yux s GLN 55 CO 0.08 0.04 -0.23 0.15 -2.12 0.00 0.00 175.29 173.20 2yux s LYS 56 N -1.09 1.55 -0.15 2.91 1.02 -1.26 -2.95 119.74 119.76 2yux s LYS 56 Ca -0.08 -1.50 -0.06 0.00 0.02 0.00 0.00 55.97 54.36 2yux s LYS 56 Cb -0.07 -1.87 0.07 0.00 -0.52 0.00 0.00 37.83 35.44 2yux s LYS 56 CO -0.00 0.40 0.31 0.00 -0.92 0.00 0.00 175.35 175.15 2yux s ALA 57 N -1.64 -0.75 1.22 5.17 0.00 -1.10 -3.35 121.76 121.30 2yux s ALA 57 Ca 0.21 1.13 -0.19 0.00 0.00 0.00 0.00 51.96 53.11 2yux s ALA 57 Cb -0.08 -1.10 0.29 0.00 0.00 0.00 0.00 23.12 22.23 2yux s ALA 57 CO 0.10 -0.65 1.07 -0.51 0.00 0.00 0.00 175.76 175.77 2yux s ASP 58 N 2.42 0.74 -0.09 0.00 1.01 -1.25 -2.33 116.67 117.16 2yux s ASP 58 Ca -0.00 0.78 0.08 0.00 0.71 0.00 0.00 52.55 54.13 2yux s ASP 58 Cb -0.12 -1.13 0.41 0.00 1.01 0.00 0.00 42.92 43.09 2yux s ASP 58 CO -0.10 -4.25 1.19 0.29 0.21 0.00 0.00 175.17 172.51 2yux n LYS 59 N -4.87 2.75 -0.01 8.23 4.76 -1.24 -2.50 118.16 125.29 2yux n LYS 59 Ca 0.11 -1.58 -0.12 0.00 -2.87 0.00 0.00 58.31 53.85 2yux n LYS 59 Cb 0.59 -1.75 -0.09 0.00 -1.84 0.00 0.00 35.03 31.94 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 2.13 -0.08 0.00 1.97 1.79 -1.91 -3.42 116.57 117.06 2yux h LYS 60 Ca 0.00 0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.43 2yux h LYS 60 Cb 1.08 0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 31.69 2yux h LYS 60 CO 0.19 0.51 -0.34 0.43 -1.08 0.00 0.00 179.45 179.16 2yux n SER 61 N -4.80 -0.02 -3.37 0.86 7.64 -1.26 -4.99 113.62 107.67 2yux n SER 61 Ca -0.08 -1.60 -0.23 0.00 1.01 0.00 0.00 58.87 57.97 2yux n SER 61 Cb 0.31 -0.06 -0.01 0.00 -1.01 0.00 0.00 64.21 63.44 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 0.06 -3.12 -3.06 1.43 2.81 -1.04 -4.90 117.12 109.31 2yux n MET 62 Ca -0.03 0.42 -0.40 0.00 -1.81 0.00 0.00 57.70 55.88 2yux n MET 62 Cb 0.68 -5.10 -0.05 0.00 -0.71 0.00 0.00 33.22 28.04 2yux n MET 62 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2yux s GLU 63 N -6.01 4.43 0.15 0.03 2.02 -1.26 -4.93 118.70 113.13 2yux s GLU 63 Ca 0.40 0.91 0.06 0.00 0.02 0.00 0.00 54.97 56.35 2yux s GLU 63 Cb -0.21 -3.40 -0.04 0.00 0.10 0.00 0.00 34.13 30.58 2yux s GLU 63 CO 0.49 0.20 0.07 -1.58 0.02 0.00 0.00 175.26 174.46 2yux s TRP 64 N 0.30 3.04 0.00 1.61 0.52 -1.26 -3.86 118.94 119.28 2yux s TRP 64 Ca 0.36 -0.05 0.00 0.00 0.02 0.00 0.00 56.10 56.44 2yux s TRP 64 Cb -0.19 -1.48 0.00 0.00 -1.15 0.00 0.00 33.47 30.65 2yux s TRP 64 CO 0.20 0.51 0.00 1.19 0.02 0.00 0.00 176.95 178.87 2yux n PHE 65 N -0.09 0.00 0.00 -1.98 3.01 -1.21 -5.01 117.46 112.17 2yux n PHE 65 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 2yux n PHE 65 Cb 0.54 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.01 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 -0.61 0.00 -0.01 4.37 -1.04 -1.26 -4.93 114.28 110.80 2yux n THR 66 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 2yux n THR 66 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 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 -0.41 0.08 -3.75 12.58 0.31 0.14 -4.83 118.33 122.44 2yux n VAL 67 Ca 0.00 -0.03 -0.11 0.00 -0.01 0.00 0.00 64.34 64.20 2yux n VAL 67 Cb 0.00 -0.94 -0.07 0.00 -0.91 0.00 0.00 33.84 31.92 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 -2.03 0.09 0.01 2.52 2.07 -1.02 -5.00 121.20 117.84 2yux s ILE 68 Ca -0.02 -0.76 -0.04 0.00 -1.41 0.00 0.00 60.65 58.42 2yux s ILE 68 Cb 0.01 -1.06 -0.01 0.00 0.13 0.00 0.00 42.46 41.52 2yux s ILE 68 CO 0.03 -0.42 0.06 -1.61 -1.91 0.00 0.00 174.94 171.08 2yux s GLU 69 N -3.06 0.41 -1.12 3.50 2.02 -1.26 -2.06 118.70 117.14 2yux s GLU 69 Ca -0.01 -0.53 -0.07 0.00 0.02 0.00 0.00 54.97 54.37 2yux s GLU 69 Cb 0.01 0.16 0.01 0.00 0.10 0.00 0.00 34.13 34.41 2yux s GLU 69 CO -0.07 -0.09 0.96 0.72 0.02 0.00 0.00 175.26 176.81 2yux n HIS 70 N 1.45 -2.36 -3.25 1.61 8.25 -1.26 -4.98 115.22 114.68 2yux n HIS 70 Ca -0.23 0.83 -0.39 0.00 -0.26 0.00 0.00 57.72 57.67 2yux n HIS 70 Cb 0.56 -4.31 -0.06 0.00 1.12 0.00 0.00 29.99 27.30 2yux n HIS 70 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 2yux s TYR 71 N -3.26 3.73 -0.25 4.41 5.04 -1.23 -4.76 117.35 121.04 2yux s TYR 71 Ca 0.48 1.20 0.10 0.00 -2.44 0.00 0.00 57.07 56.41 2yux s TYR 71 Cb -0.21 -2.54 0.45 0.00 0.35 0.00 0.00 41.96 40.00 2yux s TYR 71 CO 0.59 0.45 1.20 1.58 -1.34 0.00 0.00 175.55 178.03 2yux n HIS 72 N 2.32 1.53 -4.45 4.97 -0.00 -1.26 0.18 115.22 118.52 2yux n HIS 72 Ca -0.09 -1.88 -0.31 0.00 0.46 0.00 0.00 57.72 55.91 2yux n HIS 72 Cb 0.51 -0.29 -0.05 0.00 -0.12 0.00 0.00 29.99 30.04 2yux n HIS 72 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 2yux s ARG 73 N -3.33 2.22 -0.01 1.57 1.81 -1.26 -5.05 118.95 114.90 2yux s ARG 73 Ca 0.44 -2.26 0.02 0.00 -1.72 0.00 0.00 55.73 52.21 2yux s ARG 73 Cb 0.39 -1.74 0.02 0.00 -0.45 0.00 0.00 34.95 33.18 2yux s ARG 73 CO -0.01 -0.45 0.96 0.25 -0.68 0.00 0.00 175.30 175.36 2yux n THR 74 N -1.44 0.95 -3.59 0.02 -2.24 -1.26 -4.94 114.28 101.78 2yux n THR 74 Ca -0.13 -0.98 -0.14 0.00 -2.27 0.00 0.00 64.05 60.52 2yux n THR 74 Cb 0.66 0.49 -0.06 0.00 -2.10 0.00 0.00 70.33 69.32 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 -1.05 -0.64 -0.12 3.42 1.04 -1.26 -2.24 113.70 112.85 2yux s SER 75 Ca 0.03 1.01 -0.15 0.00 0.48 0.00 0.00 55.95 57.31 2yux s SER 75 Cb 0.02 0.94 0.04 0.00 0.10 0.00 0.00 66.02 67.13 2yux s SER 75 CO 0.00 -0.37 0.40 0.00 0.98 0.00 0.00 173.24 174.26 2yux s ALA 76 N -0.34 -1.01 -0.04 5.32 0.00 -1.25 -5.01 121.76 119.44 2yux s ALA 76 Ca -0.04 1.00 -0.14 0.00 0.00 0.00 0.00 51.96 52.79 2yux s ALA 76 Cb -0.03 -0.50 -0.05 0.00 0.00 0.00 0.00 23.12 22.54 2yux s ALA 76 CO 0.03 -0.22 0.37 0.99 0.00 0.00 0.00 175.76 176.94 2yux s THR 77 N -0.15 5.12 0.14 0.00 2.01 -1.26 -2.84 115.64 118.66 2yux s THR 77 Ca -0.03 0.75 0.04 0.00 0.31 0.00 0.00 61.69 62.76 2yux s THR 77 Cb -0.03 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 2yux s THR 77 CO 0.02 0.55 0.18 -0.63 -0.69 0.00 0.00 174.62 174.05 2yux s ILE 78 N -0.81 4.80 0.32 1.82 -1.09 -0.80 -4.95 121.20 120.49 2yux s ILE 78 Ca 0.22 -0.89 0.05 0.00 -2.23 0.00 0.00 60.65 57.80 2yux s ILE 78 Cb -0.16 -3.44 -0.03 0.00 -1.58 0.00 0.00 42.46 37.25 2yux s ILE 78 CO 0.11 -0.07 0.20 0.42 -1.23 0.00 0.00 174.94 174.38 2yux s THR 79 N -1.70 0.20 -0.95 2.92 -4.23 -1.26 -2.93 115.64 107.69 2yux s THR 79 Ca 0.32 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.76 2yux s THR 79 Cb -0.11 -2.47 -0.03 0.00 1.34 0.00 0.00 72.50 71.23 2yux s THR 79 CO 0.25 0.00 0.79 -0.62 -0.54 0.00 0.00 174.62 174.50 2yux n GLU 80 N -0.63 -1.62 -4.58 3.99 1.02 -1.25 -5.00 120.64 112.57 2yux n GLU 80 Ca 0.03 0.95 -0.26 0.00 -0.02 0.00 0.00 57.16 57.85 2yux n GLU 80 Cb 0.64 -5.04 -0.17 0.00 -0.02 0.00 0.00 31.44 26.85 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 -5.19 1.68 0.30 -4.62 1.43 -1.26 -5.11 118.68 105.90 2yux s LEU 81 Ca 0.28 -0.36 -0.27 0.00 -1.03 0.00 0.00 54.13 52.75 2yux s LEU 81 Cb -0.06 -0.95 -0.10 0.00 0.03 0.00 0.00 46.19 45.11 2yux s LEU 81 CO 0.79 0.03 0.94 0.54 0.23 0.00 0.00 176.35 178.89 2yux s VAL 82 N 0.78 4.16 -0.59 -1.59 0.11 -1.26 -4.41 120.40 117.60 2yux s VAL 82 Ca -0.12 1.90 -0.24 0.00 -2.93 0.00 0.00 61.98 60.60 2yux s VAL 82 Cb -0.16 -4.10 0.05 0.00 -1.53 0.00 0.00 36.38 30.64 2yux s VAL 82 CO 0.02 0.25 0.95 -0.63 -3.33 0.00 0.00 175.10 172.36 2yux s ILE 83 N -1.48 4.36 0.00 7.04 1.01 -1.26 -3.40 121.20 127.46 2yux s ILE 83 Ca 0.47 0.09 0.00 0.00 0.00 0.00 0.00 60.65 61.22 2yux s ILE 83 Cb -0.21 -4.59 0.00 0.00 0.01 0.00 0.00 42.46 37.68 2yux s ILE 83 CO 0.26 -1.22 0.00 0.61 0.00 0.00 0.00 174.94 174.59 2yux n GLY 84 N 5.19 1.15 3.95 6.18 0.00 -1.24 -4.96 105.19 115.46 2yux n GLY 84 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.16 6.34 0.17 1.61 0.01 -1.22 -4.94 114.94 116.74 2yux s ASN 85 Ca 0.00 0.16 0.08 0.00 -0.71 0.00 0.00 52.86 52.39 2yux s ASN 85 Cb 0.00 -1.90 -0.04 0.00 0.41 0.00 0.00 41.25 39.72 2yux s ASN 85 CO 0.00 0.01 -0.08 -1.83 -1.51 0.00 0.00 177.10 173.69 2yux s GLU 86 N -3.44 2.11 0.21 -0.60 1.03 -1.26 -3.29 118.70 113.45 2yux s GLU 86 Ca 0.35 -1.22 -0.00 0.00 0.03 0.00 0.00 54.97 54.13 2yux s GLU 86 Cb -0.10 -2.20 -0.04 0.00 -0.80 0.00 0.00 34.13 30.98 2yux s GLU 86 CO 0.29 0.45 0.14 0.71 -1.33 0.00 0.00 175.26 175.52 2yux s TYR 87 N -1.64 1.21 -0.02 4.83 1.51 -1.21 -3.63 117.35 118.40 2yux s TYR 87 Ca 0.25 -1.40 0.04 0.00 -1.01 0.00 0.00 57.07 54.94 2yux s TYR 87 Cb -0.09 -0.57 -0.01 0.00 -0.11 0.00 0.00 41.96 41.18 2yux s TYR 87 CO 0.15 -0.66 -0.14 0.71 -1.11 0.00 0.00 175.55 174.50 2yux s TYR 88 N -4.10 1.30 -0.07 2.71 2.02 -0.99 -3.19 117.35 115.04 2yux s TYR 88 Ca 0.39 -0.29 0.02 0.00 -0.37 0.00 0.00 57.07 56.81 2yux s TYR 88 Cb 0.07 -0.86 -0.03 0.00 -0.40 0.00 0.00 41.96 40.74 2yux s TYR 88 CO 0.13 -0.07 -0.10 -0.06 -1.57 0.00 0.00 175.55 173.88 2yux s PHE 89 N -0.14 2.84 -0.09 2.71 0.08 -1.26 -2.70 117.98 119.42 2yux s PHE 89 Ca 0.02 -0.11 -0.03 0.00 0.12 0.00 0.00 56.93 56.93 2yux s PHE 89 Cb -0.07 -1.70 0.05 0.00 -0.57 0.00 0.00 43.02 40.72 2yux s PHE 89 CO 0.00 0.22 0.15 1.03 -0.10 0.00 0.00 175.22 176.52 2yux s ARG 90 N -0.64 0.03 -0.14 0.44 0.52 -1.15 -3.28 118.95 114.72 2yux s ARG 90 Ca 0.10 0.47 -0.11 0.00 -0.52 0.00 0.00 55.73 55.66 2yux s ARG 90 Cb -0.11 -0.48 -0.05 0.00 0.52 0.00 0.00 34.95 34.83 2yux s ARG 90 CO 0.01 -0.36 0.22 0.08 0.02 0.00 0.00 175.30 175.28 2yux s VAL 91 N 2.27 5.35 0.28 3.52 1.01 -1.26 -3.08 120.40 128.49 2yux s VAL 91 Ca 0.04 0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.44 2yux s VAL 91 Cb -0.13 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.73 2yux s VAL 91 CO -0.06 0.48 0.18 0.49 0.00 0.00 0.00 175.10 176.18 2yux n PHE 92 N 2.99 -0.78 -4.55 5.22 3.01 -0.00 -3.47 117.46 119.88 2yux n PHE 92 Ca -0.15 -1.21 -0.22 0.00 1.01 0.00 0.00 57.45 56.89 2yux n PHE 92 Cb 0.53 -0.22 -0.15 0.00 -0.01 0.00 0.00 39.48 39.63 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 -2.62 1.64 0.36 4.37 0.01 -1.26 -3.51 113.70 112.69 2yux s SER 93 Ca 0.13 -0.31 0.08 0.00 1.31 0.00 0.00 55.95 57.16 2yux s SER 93 Cb -0.01 -0.16 -0.04 0.00 0.21 0.00 0.00 66.02 66.02 2yux s SER 93 CO 0.08 0.13 0.16 -1.61 0.41 0.00 0.00 173.24 172.41 2yux s GLU 94 N -0.56 2.33 0.00 12.44 2.02 -1.04 -1.59 118.70 132.30 2yux s GLU 94 Ca 0.04 -1.62 0.00 0.00 0.02 0.00 0.00 54.97 53.41 2yux s GLU 94 Cb -0.06 -2.13 0.00 0.00 0.10 0.00 0.00 34.13 32.04 2yux s GLU 94 CO 0.00 0.04 0.00 0.09 0.02 0.00 0.00 175.26 175.41 2yux n ASN 95 N -1.18 0.00 0.28 -0.19 4.13 -1.20 -3.20 115.26 113.90 2yux n ASN 95 Ca -0.02 0.00 0.16 0.00 1.68 0.00 0.00 54.58 56.39 2yux n ASN 95 Cb 0.62 0.00 0.75 0.00 -1.54 0.00 0.00 39.78 39.61 2yux n ASN 95 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2yux h MET 96 N 0.00 0.00 0.00 3.52 -0.00 -1.95 -2.77 114.93 113.73 2yux h MET 96 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2yux h MET 96 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 2yux h MET 96 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.91 176.91 2yux n GLY 98 N 1.73 -0.90 3.86 0.00 0.00 -1.05 -5.13 105.19 103.70 2yux n GLY 98 Ca 0.00 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 4.37 0.30 0.99 2.01 -1.26 -3.24 118.68 121.85 2yux s LEU 99 Ca 0.00 0.83 -0.29 0.00 0.01 0.00 0.00 54.13 54.68 2yux s LEU 99 Cb 0.00 -2.91 -0.13 0.00 0.01 0.00 0.00 46.19 43.16 2yux s LEU 99 CO 0.00 0.20 1.19 -0.24 1.01 0.00 0.00 176.35 178.52 2yux n SER 100 N 1.08 2.16 0.00 2.29 2.88 -0.62 -4.85 113.62 116.57 2yux n SER 100 Ca -0.09 1.19 0.05 0.00 -1.33 0.00 0.00 58.87 58.68 2yux n SER 100 Cb 0.52 -1.39 0.44 0.00 -0.75 0.00 0.00 64.21 63.03 2yux n SER 100 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2yux h GLU 101 N 2.57 0.51 -4.01 -1.46 4.39 -1.93 -3.43 114.58 111.22 2yux h GLU 101 Ca -0.43 -0.03 -0.16 0.00 0.34 0.00 0.00 59.36 59.08 2yux h GLU 101 Cb 1.31 -0.11 -0.20 0.00 -0.10 0.00 0.00 28.75 29.64 2yux h GLU 101 CO 0.64 0.34 -0.68 0.16 -1.16 0.00 0.00 179.01 178.30 2yux s ASP 102 N -6.67 0.28 -0.02 1.42 -4.77 -1.26 -5.16 116.67 100.50 2yux s ASP 102 Ca -0.08 -0.59 0.08 0.00 -3.30 0.00 0.00 52.55 48.65 2yux s ASP 102 Cb 0.18 0.13 -0.02 0.00 -1.09 0.00 0.00 42.92 42.11 2yux s ASP 102 CO 0.73 -0.37 -0.25 0.00 0.70 0.00 0.00 175.17 175.98 2yux s ALA 103 N -1.99 2.23 -0.69 2.11 0.00 -1.26 -4.72 121.76 117.43 2yux s ALA 103 Ca -0.11 -1.11 -0.27 0.00 0.00 0.00 0.00 51.96 50.47 2yux s ALA 103 Cb -0.06 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.47 2yux s ALA 103 CO -0.03 0.53 1.56 0.99 0.00 0.00 0.00 175.76 178.81 2yux s THR 104 N -0.64 3.56 0.34 0.00 2.01 -1.23 -4.86 115.64 114.82 2yux s THR 104 Ca 0.10 0.27 -0.23 0.00 0.31 0.00 0.00 61.69 62.14 2yux s THR 104 Cb -0.10 -4.47 -0.10 0.00 0.01 0.00 0.00 72.50 67.84 2yux s THR 104 CO -0.01 -1.42 0.91 -0.32 -0.69 0.00 0.00 174.62 173.09 2yux s MET 105 N 6.33 4.41 0.18 4.92 1.75 -1.26 -4.10 119.30 131.53 2yux s MET 105 Ca 0.50 1.18 -0.33 0.00 -1.25 0.00 0.00 55.69 55.79 2yux s MET 105 Cb -0.10 -2.63 -0.12 0.00 2.84 0.00 0.00 34.83 34.82 2yux s MET 105 CO 0.17 0.21 1.70 0.25 -0.65 0.00 0.00 175.02 176.69 2yux n THR 106 N 0.21 0.05 -0.47 10.11 -2.24 -1.21 -4.79 114.28 115.95 2yux n THR 106 Ca 0.03 -0.01 0.42 0.00 -2.27 0.00 0.00 64.05 62.22 2yux n THR 106 Cb 0.51 -1.86 0.75 0.00 -2.10 0.00 0.00 70.33 67.63 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 6.76 0.00 0.00 -0.78 1.79 -1.94 -3.41 116.57 118.99 2yux h LYS 107 Ca -0.44 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 57.77 2yux h LYS 107 Cb 1.22 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.81 2yux h LYS 107 CO 0.93 0.00 -0.23 0.39 -1.08 0.00 0.00 179.45 179.46 2yux n GLU 108 N -3.92 0.51 -4.01 3.15 1.02 -1.26 -5.18 120.64 110.95 2yux n GLU 108 Ca 0.33 -1.71 -0.23 0.00 -0.02 0.00 0.00 57.16 55.53 2yux n GLU 108 Cb 1.61 1.13 -0.06 0.00 -0.02 0.00 0.00 31.44 34.11 2yux n GLU 108 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2yux s SER 109 N -2.22 4.66 -0.28 1.62 1.04 -1.26 -4.87 113.70 112.38 2yux s SER 109 Ca 0.15 -0.87 -0.09 0.00 0.48 0.00 0.00 55.95 55.61 2yux s SER 109 Cb 0.01 -0.62 -0.03 0.00 0.10 0.00 0.00 66.02 65.48 2yux s SER 109 CO 0.10 -0.44 0.14 0.00 0.98 0.00 0.00 173.24 174.02 2yux s ALA 110 N -2.49 3.33 -0.59 5.32 0.00 -1.19 -5.00 121.76 121.14 2yux s ALA 110 Ca 0.41 -1.20 -0.19 0.00 0.00 0.00 0.00 51.96 50.97 2yux s ALA 110 Cb -0.00 -2.32 0.10 0.00 0.00 0.00 0.00 23.12 20.89 2yux s ALA 110 CO 0.24 -0.65 0.72 0.08 0.00 0.00 0.00 175.76 176.15 2yux s VAL 111 N 1.67 4.77 0.39 0.00 1.01 -1.26 -3.36 120.40 123.62 2yux s VAL 111 Ca 0.06 -0.87 -0.24 0.00 0.00 0.00 0.00 61.98 60.93 2yux s VAL 111 Cb -0.16 -4.49 -0.12 0.00 0.00 0.00 0.00 36.38 31.60 2yux s VAL 111 CO 0.07 -1.13 0.70 -0.38 0.00 0.00 0.00 175.10 174.36 2yux n ILE 112 N 5.60 1.97 -3.63 2.22 2.08 -1.21 -4.95 119.36 121.44 2yux n ILE 112 Ca -0.09 -0.50 -0.03 0.00 0.56 0.00 0.00 62.75 62.69 2yux n ILE 112 Cb 0.43 -0.69 -0.04 0.00 -0.75 0.00 0.00 39.64 38.59 2yux n ILE 112 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2yux s ALA 113 N -1.35 -2.09 -1.31 -1.39 0.00 -1.25 -3.69 121.76 110.67 2yux s ALA 113 Ca 0.63 1.84 -0.06 0.00 0.00 0.00 0.00 51.96 54.37 2yux s ALA 113 Cb -0.62 -1.31 0.13 0.00 0.00 0.00 0.00 23.12 21.31 2yux s ALA 113 CO 0.58 -0.27 2.26 0.54 0.00 0.00 0.00 175.76 178.86 2yux n ARG 114 N 0.51 4.36 -3.44 0.00 1.74 -1.26 0.90 116.66 119.47 2yux n ARG 114 Ca -0.01 -3.48 0.01 0.00 -0.77 0.00 0.00 57.85 53.60 2yux n ARG 114 Cb 0.59 -2.70 -0.03 0.00 -1.02 0.00 0.00 32.46 29.30 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 0.48 -1.23 -0.35 0.55 -1.08 -1.26 -4.79 116.67 108.99 2yux s ASP 115 Ca 0.51 1.27 0.15 0.00 -0.52 0.00 0.00 52.55 53.95 2yux s ASP 115 Cb 0.16 2.23 0.42 0.00 -1.46 0.00 0.00 42.92 44.27 2yux s ASP 115 CO -0.07 -0.23 0.95 0.61 0.52 0.00 0.00 175.17 176.95 2yux n GLY 116 N 5.43 1.98 3.03 2.66 0.00 -1.26 -4.67 105.19 112.36 2yux n GLY 116 Ca -0.07 -1.18 -0.26 0.00 0.00 0.00 0.00 46.02 44.50 2yux n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yux s LYS 117 N -2.36 1.87 0.23 1.61 -0.14 -1.26 -5.02 119.74 114.67 2yux s LYS 117 Ca 0.29 -0.45 0.00 0.00 -1.36 0.00 0.00 55.97 54.45 2yux s LYS 117 Cb 0.42 -1.58 0.00 0.00 -1.68 0.00 0.00 37.83 34.98 2yux s LYS 117 CO -0.01 -0.02 0.00 -0.89 -0.76 0.00 0.00 175.35 173.67 2yux n ILE 118 N 4.01 -3.61 -3.81 2.17 5.41 -1.26 -5.07 119.36 117.20 2yux n ILE 118 Ca -0.21 1.45 -0.12 0.00 1.00 0.00 0.00 62.75 64.87 2yux n ILE 118 Cb 0.51 -2.28 -0.10 0.00 -0.71 0.00 0.00 39.64 37.07 2yux n ILE 118 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 2yux s TYR 119 N -1.81 -0.14 0.00 1.39 5.04 -1.26 -5.20 117.35 115.37 2yux s TYR 119 Ca 0.00 0.29 0.00 0.00 -2.44 0.00 0.00 57.07 54.92 2yux s TYR 119 Cb 0.00 0.04 0.00 0.00 0.35 0.00 0.00 41.96 42.35 2yux s TYR 119 CO 0.00 -0.24 0.13 1.17 -1.34 0.00 0.00 175.55 175.26