#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y6l h THR 1 N 0.00 0.63 0.04 6.66 2.02 -1.92 -2.54 112.91 117.80 1y6l h THR 1 Ca 0.00 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 1y6l h THR 1 Cb 0.00 -0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.31 1y6l h THR 1 CO 0.00 0.12 -0.02 0.77 0.37 0.00 0.00 175.52 176.76 1y6l h SER 2 N 0.67 -0.04 -0.61 4.18 4.64 -1.78 -2.44 113.55 118.16 1y6l h SER 2 Ca 0.60 -0.64 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 1y6l h SER 2 Cb 1.06 0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 63.14 1y6l h SER 2 CO -0.41 0.67 0.17 0.00 -0.87 0.00 0.00 176.83 176.39 1y6l h ALA 3 N 0.03 0.81 -0.64 5.18 0.00 -1.85 -0.92 119.26 121.87 1y6l h ALA 3 Ca -0.01 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1y6l h ALA 3 Cb 0.68 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1y6l h ALA 3 CO 0.01 0.50 0.40 -0.22 0.00 0.00 0.00 179.25 179.94 1y6l h LYS 4 N 0.89 0.77 -0.15 0.00 3.11 -1.57 0.11 116.57 119.73 1y6l h LYS 4 Ca 0.19 -0.05 -0.01 0.00 -2.81 0.00 0.00 60.65 57.98 1y6l h LYS 4 Cb 0.33 -0.17 -0.01 0.00 -1.00 0.00 0.00 32.23 31.38 1y6l h LYS 4 CO -0.00 0.51 0.07 -0.09 -2.81 0.00 0.00 179.45 177.13 1y6l h ARG 5 N 0.79 0.21 -0.51 1.90 9.65 -0.98 -1.52 114.38 123.92 1y6l h ARG 5 Ca 0.25 -0.03 0.03 0.00 -1.10 0.00 0.00 59.98 59.13 1y6l h ARG 5 Cb -0.00 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.50 1y6l h ARG 5 CO -0.09 0.26 0.29 0.82 2.80 0.00 0.00 179.97 184.04 1y6l h ILE 6 N 0.11 1.01 -0.62 1.20 2.04 -0.98 -0.09 117.51 120.18 1y6l h ILE 6 Ca 0.05 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1y6l h ILE 6 Cb 0.12 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 1y6l h ILE 6 CO -0.01 0.10 0.35 -0.61 0.00 0.00 0.00 178.15 177.99 1y6l h GLN 7 N 0.56 0.85 -0.45 2.37 5.75 -0.68 0.12 115.11 123.63 1y6l h GLN 7 Ca 0.22 -0.09 0.02 0.00 -0.15 0.00 0.00 58.65 58.64 1y6l h GLN 7 Cb 0.08 -0.17 -0.03 0.00 1.07 0.00 0.00 27.48 28.43 1y6l h GLN 7 CO -0.12 0.63 0.27 -0.22 -2.65 0.00 0.00 178.83 176.74 1y6l h LYS 8 N 0.84 0.54 0.00 1.69 3.64 -0.94 -1.57 116.57 120.77 1y6l h LYS 8 Ca 0.22 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.48 1y6l h LYS 8 Cb 0.02 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1y6l h LYS 8 CO -0.04 0.36 -0.42 0.93 -2.27 0.00 0.00 179.45 178.01 1y6l h GLU 9 N 0.56 0.00 -0.36 1.90 5.08 -0.70 -1.78 114.58 119.28 1y6l h GLU 9 Ca 0.18 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.43 1y6l h GLU 9 Cb -0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1y6l h GLU 9 CO -0.07 0.42 -0.18 1.25 -1.00 0.00 0.00 179.01 179.43 1y6l h LEU 10 N 0.00 0.79 -0.58 1.33 5.85 -0.43 -0.84 115.31 121.43 1y6l h LEU 10 Ca -0.00 -0.41 -0.04 0.00 0.84 0.00 0.00 57.88 58.26 1y6l h LEU 10 Cb 0.77 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1y6l h LEU 10 CO 0.05 1.02 0.19 0.00 -0.34 0.00 0.00 178.44 179.37 1y6l h ALA 11 N 0.79 0.76 -0.14 1.25 0.00 -1.05 -1.75 119.26 119.13 1y6l h ALA 11 Ca 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1y6l h ALA 11 Cb 0.73 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1y6l h ALA 11 CO 0.05 0.42 0.09 1.49 0.00 0.00 0.00 179.25 181.30 1y6l h GLU 12 N 0.82 0.18 -0.00 0.00 4.81 -1.23 -2.02 114.58 117.13 1y6l h GLU 12 Ca 0.19 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.26 1y6l h GLU 12 Cb 0.27 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1y6l h GLU 12 CO -0.01 0.13 -0.70 0.97 -0.73 0.00 0.00 179.01 178.67 1y6l h ILE 13 N 0.18 1.49 -0.31 2.32 2.10 -1.03 -0.87 117.51 121.39 1y6l h ILE 13 Ca 0.05 -2.38 -0.05 0.00 1.08 0.00 0.00 64.86 63.56 1y6l h ILE 13 Cb -0.01 2.28 -0.01 0.00 -1.09 0.00 0.00 36.82 37.99 1y6l h ILE 13 CO -0.01 0.68 -0.01 0.74 -1.08 0.00 0.00 178.15 178.47 1y6l h THR 14 N 0.02 1.26 -0.27 2.19 2.02 -1.20 -0.95 112.91 115.98 1y6l h THR 14 Ca -0.01 -0.97 -0.06 0.00 0.77 0.00 0.00 66.41 66.15 1y6l h THR 14 Cb 1.24 1.27 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 1y6l h THR 14 CO 0.09 0.31 -0.05 0.25 0.37 0.00 0.00 175.52 176.50 1y6l h LEU 15 N 0.35 0.52 -6.35 2.58 5.85 -1.24 -3.38 115.31 113.63 1y6l h LEU 15 Ca 0.09 -0.35 -0.59 0.00 0.84 0.00 0.00 57.88 57.87 1y6l h LEU 15 Cb 0.45 -0.14 -0.40 0.00 0.37 0.00 0.00 40.66 40.94 1y6l h LEU 15 CO 0.02 0.75 -0.87 0.47 -0.34 0.00 0.00 178.44 178.46 1y6l n ASP 16 N -4.54 1.17 -4.76 1.25 8.00 -0.34 -5.12 116.55 112.21 1y6l n ASP 16 Ca -0.03 -2.83 -0.32 0.00 0.71 0.00 0.00 54.79 52.31 1y6l n ASP 16 Cb 0.29 -0.64 0.07 0.00 -0.02 0.00 0.00 41.12 40.82 1y6l n ASP 16 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1y6l s PRO 17 N -1.09 2.49 0.59 -0.24 0.04 -0.37 -4.62 135.00 131.81 1y6l s PRO 17 Ca 0.33 1.37 -0.17 0.00 0.04 0.00 0.00 61.00 62.57 1y6l s PRO 17 Cb 0.09 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.68 1y6l s PRO 17 CO -0.13 -1.49 1.09 -2.14 0.04 0.00 0.00 177.00 174.37 1y6l s PRO 18 N -4.35 3.21 0.26 0.56 0.02 -1.26 -4.94 135.00 128.50 1y6l s PRO 18 Ca 0.66 1.37 -0.31 0.00 0.02 0.00 0.00 61.00 62.74 1y6l s PRO 18 Cb -0.20 -2.01 -0.13 0.00 0.02 0.00 0.00 34.50 32.17 1y6l s PRO 18 CO 0.47 -0.92 1.34 -2.30 -0.33 0.00 0.00 177.00 175.26 1y6l n PRO 19 N -1.88 1.93 -1.66 5.54 -0.02 -1.26 -2.53 135.00 135.12 1y6l n PRO 19 Ca 0.10 0.69 -0.16 0.00 -2.02 0.00 0.00 63.50 62.10 1y6l n PRO 19 Cb 0.52 -2.30 -0.05 0.00 -0.02 0.00 0.00 33.50 31.65 1y6l n PRO 19 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1y6l n ASN 20 N 1.84 -4.89 -3.80 2.55 5.03 -1.26 -4.95 115.26 109.77 1y6l n ASN 20 Ca 0.10 0.30 -0.13 0.00 0.87 0.00 0.00 54.58 55.73 1y6l n ASN 20 Cb 0.32 -3.84 -0.12 0.00 -1.02 0.00 0.00 39.78 35.11 1y6l n ASN 20 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1y6l s SER 22 N 0.19 1.14 -0.19 0.00 1.04 -0.29 -4.23 113.70 111.36 1y6l s SER 22 Ca -0.01 -0.98 -0.27 0.00 0.48 0.00 0.00 55.95 55.17 1y6l s SER 22 Cb -0.02 0.09 0.08 0.00 0.10 0.00 0.00 66.02 66.27 1y6l s SER 22 CO -0.00 -0.45 0.78 0.00 0.98 0.00 0.00 173.24 174.55 1y6l s ALA 23 N -3.50 -1.82 -0.09 5.32 0.00 -1.26 -1.02 121.76 119.39 1y6l s ALA 23 Ca 0.11 1.73 -0.32 0.00 0.00 0.00 0.00 51.96 53.48 1y6l s ALA 23 Cb 0.04 -0.79 0.12 0.00 0.00 0.00 0.00 23.12 22.50 1y6l s ALA 23 CO -0.04 -0.33 1.40 0.20 0.00 0.00 0.00 175.76 176.98 1y6l s GLY 24 N -0.30 -0.35 0.48 0.00 0.00 -0.80 -4.84 107.32 101.52 1y6l s GLY 24 Ca -0.03 0.55 -0.24 0.00 0.00 0.00 0.00 44.72 45.00 1y6l s GLY 24 CO 0.03 3.45 1.29 -1.05 0.00 0.00 0.00 173.10 176.81 1y6l n PRO 25 N -0.73 1.79 0.18 2.90 -0.02 -1.26 -1.10 135.00 136.77 1y6l n PRO 25 Ca -0.02 0.65 0.06 0.00 -2.02 0.00 0.00 63.50 62.17 1y6l n PRO 25 Cb 0.61 -2.45 0.28 0.00 -0.02 0.00 0.00 33.50 31.92 1y6l n PRO 25 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1y6l h LYS 26 N 1.75 0.00 0.00 -0.52 1.57 -1.40 -3.44 116.57 114.54 1y6l h LYS 26 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1y6l h LYS 26 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.61 1y6l h LYS 26 CO 0.58 0.36 0.00 0.41 -0.57 0.00 0.00 179.45 180.24 1y6l n GLY 27 N 0.50 1.95 0.27 3.86 0.00 -1.26 -5.02 105.19 105.49 1y6l n GLY 27 Ca 0.01 -0.59 0.13 0.00 0.00 0.00 0.00 46.02 45.56 1y6l n GLY 27 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1y6l h ASP 28 N 0.00 0.00 -2.58 1.61 3.32 -1.96 -3.39 116.42 113.42 1y6l h ASP 28 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 1y6l h ASP 28 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 1y6l h ASP 28 CO 0.00 0.11 1.12 0.21 -1.72 0.00 0.00 179.24 178.95 1y6l s ASN 29 N -6.11 6.04 0.00 6.45 2.47 -1.26 -4.87 114.94 117.66 1y6l s ASN 29 Ca -0.03 0.06 0.11 0.00 0.42 0.00 0.00 52.86 53.42 1y6l s ASN 29 Cb 0.13 -2.55 0.46 0.00 -1.45 0.00 0.00 41.25 37.84 1y6l s ASN 29 CO 0.58 -1.83 1.33 0.00 -3.72 0.00 0.00 177.10 173.46 1y6l n ILE 30 N 6.75 1.22 1.07 -5.21 0.13 -1.26 -2.56 119.36 119.50 1y6l n ILE 30 Ca 0.10 0.31 0.13 0.00 -1.10 0.00 0.00 62.75 62.19 1y6l n ILE 30 Cb 0.50 -1.13 0.51 0.00 -0.84 0.00 0.00 39.64 38.68 1y6l n ILE 30 CO 0.00 0.00 0.00 -1.22 2.80 0.00 0.00 176.55 178.13 1y6l n TYR 31 N -1.48 0.00 -4.05 9.51 4.01 -1.26 -4.69 117.16 119.20 1y6l n TYR 31 Ca 0.03 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.45 1y6l n TYR 31 Cb 0.12 -0.37 -0.15 0.00 -0.31 0.00 0.00 39.34 38.63 1y6l n TYR 31 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1y6l s GLU 32 N -2.91 2.02 0.32 -0.72 0.41 -1.06 -0.92 118.70 115.84 1y6l s GLU 32 Ca 0.16 -1.47 0.08 0.00 -0.41 0.00 0.00 54.97 53.33 1y6l s GLU 32 Cb 0.19 -2.96 -0.04 0.00 -1.78 0.00 0.00 34.13 29.54 1y6l s GLU 32 CO 0.57 -0.67 0.12 -1.58 -0.49 0.00 0.00 175.26 173.22 1y6l s TRP 33 N 1.06 2.73 0.16 1.61 0.52 0.68 -1.16 118.94 124.54 1y6l s TRP 33 Ca -0.04 -0.34 0.08 0.00 0.02 0.00 0.00 56.10 55.82 1y6l s TRP 33 Cb -0.20 -1.55 -0.04 0.00 -1.15 0.00 0.00 33.47 30.53 1y6l s TRP 33 CO -0.06 0.40 -0.17 0.50 0.02 0.00 0.00 176.95 177.64 1y6l s ARG 34 N -3.82 1.22 0.04 4.98 3.52 -0.26 -1.34 118.95 123.31 1y6l s ARG 34 Ca 0.36 -1.39 0.03 0.00 -0.13 0.00 0.00 55.73 54.60 1y6l s ARG 34 Cb -0.03 -1.22 -0.02 0.00 -1.56 0.00 0.00 34.95 32.11 1y6l s ARG 34 CO 0.22 0.24 -0.08 0.45 -0.81 0.00 0.00 175.30 175.32 1y6l s SER 35 N -2.67 0.94 -0.15 -2.12 0.15 -0.42 -1.90 113.70 107.54 1y6l s SER 35 Ca 0.15 -0.53 0.01 0.00 0.70 0.00 0.00 55.95 56.28 1y6l s SER 35 Cb -0.05 0.02 -0.00 0.00 -1.71 0.00 0.00 66.02 64.27 1y6l s SER 35 CO 0.06 -0.17 -0.16 -0.89 1.20 0.00 0.00 173.24 173.28 1y6l s THR 36 N -1.28 2.62 -0.08 6.45 2.01 -0.19 -1.32 115.64 123.85 1y6l s THR 36 Ca -0.08 -0.79 0.05 0.00 0.31 0.00 0.00 61.69 61.17 1y6l s THR 36 Cb -0.09 -2.10 -0.00 0.00 0.01 0.00 0.00 72.50 70.32 1y6l s THR 36 CO 0.01 0.52 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.58 1y6l s ILE 37 N 0.71 2.05 -0.00 1.82 1.01 0.41 -1.14 121.20 126.06 1y6l s ILE 37 Ca -0.07 -1.03 -0.17 0.00 0.00 0.00 0.00 60.65 59.37 1y6l s ILE 37 Cb -0.16 -1.76 -0.06 0.00 0.01 0.00 0.00 42.46 40.50 1y6l s ILE 37 CO 0.01 0.56 0.47 -0.76 0.00 0.00 0.00 174.94 175.23 1y6l s LEU 38 N 0.15 4.45 0.13 2.97 1.43 0.38 -0.36 118.68 127.84 1y6l s LEU 38 Ca -0.13 1.02 -0.34 0.00 -1.03 0.00 0.00 54.13 53.64 1y6l s LEU 38 Cb -0.16 -2.70 -0.14 0.00 0.03 0.00 0.00 46.19 43.22 1y6l s LEU 38 CO 0.07 0.24 1.59 0.61 0.23 0.00 0.00 176.35 179.09 1y6l n GLY 39 N 2.10 1.11 3.67 -3.19 0.00 -0.60 -4.82 105.19 103.47 1y6l n GLY 39 Ca -0.11 0.68 -0.46 0.00 0.00 0.00 0.00 46.02 46.13 1y6l n GLY 39 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1y6l n PRO 40 N 3.70 2.08 -1.67 1.61 -0.02 -1.26 -4.17 135.00 135.27 1y6l n PRO 40 Ca 0.18 0.75 -0.45 0.00 -2.02 0.00 0.00 63.50 61.95 1y6l n PRO 40 Cb 0.28 -2.48 -0.03 0.00 -0.02 0.00 0.00 33.50 31.25 1y6l n PRO 40 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1y6l n PRO 41 N 2.96 2.12 0.00 0.52 -0.02 -1.26 -0.97 135.00 138.35 1y6l n PRO 41 Ca 0.15 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1y6l n PRO 41 Cb 0.29 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 1y6l n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y6l n GLY 42 N 2.80 1.92 3.95 -1.23 0.00 -1.26 -5.02 105.19 106.35 1y6l n GLY 42 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 1y6l n GLY 42 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y6l s SER 43 N -2.14 5.50 0.35 1.61 1.04 -0.14 -4.97 113.70 114.95 1y6l s SER 43 Ca 0.00 0.23 0.24 0.00 0.48 0.00 0.00 55.95 56.90 1y6l s SER 43 Cb 0.00 -1.25 1.28 0.00 0.10 0.00 0.00 66.02 66.14 1y6l s SER 43 CO 0.00 -0.99 1.72 -0.37 0.98 0.00 0.00 173.24 174.58 1y6l h VAL 44 N 0.12 0.00 -0.19 5.02 -1.51 -1.89 -2.18 116.25 115.61 1y6l h VAL 44 Ca -0.44 -0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.03 1y6l h VAL 44 Cb 1.28 0.52 0.00 0.00 -2.13 0.00 0.00 31.29 30.96 1y6l h VAL 44 CO 0.56 0.00 0.00 -1.22 -1.23 0.00 0.00 177.57 175.68 1y6l n TYR 45 N -2.33 0.22 -1.75 5.19 4.01 -1.26 -3.67 117.16 117.58 1y6l n TYR 45 Ca -0.02 -0.12 -0.42 0.00 -0.16 0.00 0.00 57.90 57.19 1y6l n TYR 45 Cb 0.04 -0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.06 1y6l n TYR 45 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1y6l n GLU 46 N 1.37 2.48 0.00 -0.72 2.13 -0.82 -1.20 120.64 123.87 1y6l n GLU 46 Ca 0.16 0.87 0.00 0.00 0.66 0.00 0.00 57.16 58.85 1y6l n GLU 46 Cb 0.58 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 29.74 1y6l n GLU 46 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1y6l n GLY 47 N 0.70 2.63 3.82 8.31 0.00 -1.26 -4.94 105.19 114.45 1y6l n GLY 47 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1y6l n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1y6l s GLY 48 N -1.85 2.41 -0.19 -0.02 0.00 -0.34 -4.77 107.32 102.55 1y6l s GLY 48 Ca 0.00 0.32 0.01 0.00 0.00 0.00 0.00 44.72 45.05 1y6l s GLY 48 CO 0.00 0.60 -0.11 0.14 0.00 0.00 0.00 173.10 173.72 1y6l s VAL 49 N -2.08 1.67 -0.08 1.40 1.01 0.73 -1.55 120.40 121.51 1y6l s VAL 49 Ca 0.59 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 61.59 1y6l s VAL 49 Cb -0.10 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1y6l s VAL 49 CO 0.15 0.21 -0.11 -0.36 0.00 0.00 0.00 175.10 174.99 1y6l s PHE 50 N 1.39 2.83 -0.11 5.22 0.08 0.52 -4.74 117.98 123.17 1y6l s PHE 50 Ca -0.01 -0.20 -0.03 0.00 0.12 0.00 0.00 56.93 56.81 1y6l s PHE 50 Cb -0.16 -1.73 -0.03 0.00 -0.57 0.00 0.00 43.02 40.53 1y6l s PHE 50 CO -0.09 0.14 0.03 -0.06 -0.10 0.00 0.00 175.22 175.15 1y6l s PHE 51 N -0.46 3.23 0.04 0.36 0.08 -1.26 -0.44 117.98 119.52 1y6l s PHE 51 Ca 0.06 0.20 0.06 0.00 0.12 0.00 0.00 56.93 57.38 1y6l s PHE 51 Cb -0.12 -1.86 -0.02 0.00 -0.57 0.00 0.00 43.02 40.45 1y6l s PHE 51 CO 0.02 0.44 -0.18 -0.51 -0.10 0.00 0.00 175.22 174.89 1y6l s LEU 52 N -0.68 2.17 -0.11 -0.37 1.02 -0.44 -0.20 118.68 120.08 1y6l s LEU 52 Ca 0.11 -0.50 -0.06 0.00 0.02 0.00 0.00 54.13 53.70 1y6l s LEU 52 Cb -0.12 -0.83 -0.04 0.00 0.02 0.00 0.00 46.19 45.22 1y6l s LEU 52 CO 0.02 0.11 0.11 -1.81 0.02 0.00 0.00 176.35 174.80 1y6l s ASP 53 N -1.18 6.10 -0.08 2.29 1.01 0.08 -1.30 116.67 123.58 1y6l s ASP 53 Ca 0.05 0.38 0.02 0.00 0.71 0.00 0.00 52.55 53.71 1y6l s ASP 53 Cb -0.08 -1.93 0.02 0.00 1.01 0.00 0.00 42.92 41.94 1y6l s ASP 53 CO 0.02 0.39 -0.11 -0.63 0.21 0.00 0.00 175.17 175.05 1y6l s ILE 54 N -0.95 1.11 -0.12 0.77 1.01 -0.45 -1.57 121.20 121.01 1y6l s ILE 54 Ca 0.14 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.36 1y6l s ILE 54 Cb -0.12 -1.05 0.02 0.00 0.01 0.00 0.00 42.46 41.33 1y6l s ILE 54 CO 0.03 0.36 -0.11 -0.89 0.00 0.00 0.00 174.94 174.34 1y6l s THR 55 N 0.92 1.25 0.04 2.92 2.01 -0.33 -0.23 115.64 122.23 1y6l s THR 55 Ca -0.10 -0.44 -0.13 0.00 0.31 0.00 0.00 61.69 61.33 1y6l s THR 55 Cb -0.15 -1.22 -0.06 0.00 0.01 0.00 0.00 72.50 71.09 1y6l s THR 55 CO 0.01 0.40 0.42 -0.36 -0.69 0.00 0.00 174.62 174.40 1y6l s PHE 56 N 1.53 3.68 0.60 4.92 0.08 -0.09 -0.77 117.98 127.92 1y6l s PHE 56 Ca 0.03 0.94 -0.16 0.00 0.12 0.00 0.00 56.93 57.86 1y6l s PHE 56 Cb -0.13 -2.26 -0.03 0.00 -0.57 0.00 0.00 43.02 40.03 1y6l s PHE 56 CO -0.08 0.59 1.07 0.45 -0.10 0.00 0.00 175.22 177.15 1y6l s SER 57 N -1.34 5.68 0.62 1.36 0.15 -1.26 -4.85 113.70 114.05 1y6l s SER 57 Ca 0.28 1.87 0.39 0.00 0.70 0.00 0.00 55.95 59.19 1y6l s SER 57 Cb -0.16 -2.54 2.04 0.00 -1.71 0.00 0.00 66.02 63.65 1y6l s SER 57 CO 0.15 -1.24 2.24 -0.65 1.20 0.00 0.00 173.24 174.95 1y6l h PRO 58 N 0.44 0.00 -0.47 5.44 0.11 -1.99 -2.06 132.00 133.47 1y6l h PRO 58 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1y6l h PRO 58 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1y6l h PRO 58 CO 0.57 0.01 0.00 -0.25 -0.21 0.00 0.00 178.00 178.12 1y6l n ASP 59 N -3.20 2.49 -4.73 -2.05 8.00 -1.26 -4.50 116.55 111.30 1y6l n ASP 59 Ca -0.02 -2.05 -0.42 0.00 0.71 0.00 0.00 54.79 53.01 1y6l n ASP 59 Cb 0.15 -0.32 -0.01 0.00 -0.02 0.00 0.00 41.12 40.92 1y6l n ASP 59 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1y6l n TYR 60 N 0.75 2.62 -0.07 1.24 9.36 -0.78 -0.53 117.16 129.76 1y6l n TYR 60 Ca 0.15 0.48 0.05 0.00 3.32 0.00 0.00 57.90 61.90 1y6l n TYR 60 Cb 0.41 -2.48 0.25 0.00 -0.63 0.00 0.00 39.34 36.89 1y6l n TYR 60 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1y6l n PRO 61 N 0.66 3.22 0.00 2.98 -0.04 -1.26 -3.47 135.00 137.09 1y6l n PRO 61 Ca 0.04 -1.92 0.13 0.00 -0.04 0.00 0.00 63.50 61.70 1y6l n PRO 61 Cb 0.37 -1.88 0.43 0.00 -0.04 0.00 0.00 33.50 32.39 1y6l n PRO 61 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1y6l n PHE 62 N 0.47 0.00 -4.66 0.54 3.01 0.31 -3.75 117.46 113.38 1y6l n PHE 62 Ca 0.17 0.00 -0.23 0.00 1.01 0.00 0.00 57.45 58.40 1y6l n PHE 62 Cb 0.77 -0.28 -0.16 0.00 -0.01 0.00 0.00 39.48 39.81 1y6l n PHE 62 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1y6l s LYS 63 N -2.82 1.34 0.72 -1.08 1.02 -1.23 -4.93 119.74 112.75 1y6l s LYS 63 Ca 0.17 -0.49 -0.14 0.00 0.02 0.00 0.00 55.97 55.53 1y6l s LYS 63 Cb 0.19 -1.23 0.03 0.00 -0.52 0.00 0.00 37.83 36.30 1y6l s LYS 63 CO 0.59 0.23 1.15 -1.25 -0.92 0.00 0.00 175.35 175.15 1y6l s PRO 64 N -0.05 2.34 0.57 -1.68 0.04 -1.26 -4.56 135.00 130.40 1y6l s PRO 64 Ca -0.00 1.54 -0.19 0.00 0.04 0.00 0.00 61.00 62.39 1y6l s PRO 64 Cb -0.09 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1y6l s PRO 64 CO 0.01 -1.64 1.20 -1.25 0.04 0.00 0.00 177.00 175.36 1y6l s PRO 65 N -4.12 3.10 -0.22 0.56 0.04 -1.26 -4.74 135.00 128.36 1y6l s PRO 65 Ca 0.70 1.80 -0.23 0.00 0.04 0.00 0.00 61.00 63.31 1y6l s PRO 65 Cb -0.24 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 1y6l s PRO 65 CO 0.45 -1.10 0.72 0.21 0.04 0.00 0.00 177.00 177.33 1y6l s LYS 66 N -3.26 4.20 -0.09 4.56 2.20 0.05 -4.94 119.74 122.46 1y6l s LYS 66 Ca 0.76 0.76 0.01 0.00 -0.36 0.00 0.00 55.97 57.14 1y6l s LYS 66 Cb -0.30 -3.61 0.02 0.00 -1.51 0.00 0.00 37.83 32.43 1y6l s LYS 66 CO 0.33 -0.37 -0.09 0.08 -0.36 0.00 0.00 175.35 174.94 1y6l s VAL 67 N 2.34 0.98 0.00 4.02 1.01 -1.26 -1.18 120.40 126.32 1y6l s VAL 67 Ca 0.32 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1y6l s VAL 67 Cb -0.16 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 1y6l s VAL 67 CO 0.09 0.34 -0.05 0.42 0.00 0.00 0.00 175.10 175.91 1y6l s THR 68 N 1.23 0.34 0.07 3.92 -4.23 -0.61 -4.36 115.64 112.00 1y6l s THR 68 Ca -0.04 -0.33 -0.31 0.00 -1.18 0.00 0.00 61.69 59.82 1y6l s THR 68 Cb -0.14 -0.32 -0.08 0.00 1.34 0.00 0.00 72.50 73.30 1y6l s THR 68 CO -0.03 -0.00 1.56 -0.36 -0.54 0.00 0.00 174.62 175.25 1y6l s PHE 69 N -0.34 2.67 0.01 3.99 0.40 -0.45 -0.74 117.98 123.53 1y6l s PHE 69 Ca -0.01 0.53 -0.14 0.00 -0.60 0.00 0.00 56.93 56.71 1y6l s PHE 69 Cb -0.03 -3.86 -0.34 0.00 0.51 0.00 0.00 43.02 39.29 1y6l s PHE 69 CO -0.00 -3.34 0.92 0.00 0.70 0.00 0.00 175.22 173.50 1y6l h ARG 70 N 7.89 0.49 -6.39 0.44 3.08 -0.92 -3.36 114.38 115.62 1y6l h ARG 70 Ca -0.41 -0.84 -0.54 0.00 0.07 0.00 0.00 59.98 58.25 1y6l h ARG 70 Cb 1.20 0.31 -0.02 0.00 0.08 0.00 0.00 29.97 31.55 1y6l h ARG 70 CO 0.92 1.40 0.53 0.99 -1.07 0.00 0.00 179.97 182.74 1y6l s THR 71 N -2.60 4.46 0.24 2.04 2.01 -1.12 -4.98 115.64 115.68 1y6l s THR 71 Ca -0.11 1.76 -0.30 0.00 0.31 0.00 0.00 61.69 63.36 1y6l s THR 71 Cb 0.05 -4.13 -0.10 0.00 0.01 0.00 0.00 72.50 68.32 1y6l s THR 71 CO 0.92 0.09 1.50 -0.60 -0.69 0.00 0.00 174.62 175.84 1y6l s ARG 72 N 1.45 4.23 0.01 4.92 6.06 -1.26 -4.89 118.95 129.47 1y6l s ARG 72 Ca 0.54 2.37 -0.02 0.00 -2.50 0.00 0.00 55.73 56.12 1y6l s ARG 72 Cb -0.24 -3.10 -0.01 0.00 0.06 0.00 0.00 34.95 31.65 1y6l s ARG 72 CO 0.25 -0.51 0.02 -1.50 -2.50 0.00 0.00 175.30 171.07 1y6l s ILE 73 N 0.28 0.09 -0.50 4.11 2.07 -1.26 -4.72 121.20 121.26 1y6l s ILE 73 Ca 0.63 -0.77 -0.15 0.00 -1.41 0.00 0.00 60.65 58.94 1y6l s ILE 73 Cb -0.43 -0.29 0.11 0.00 0.13 0.00 0.00 42.46 41.97 1y6l s ILE 73 CO 0.41 -0.43 0.44 -0.47 -1.91 0.00 0.00 174.94 172.98 1y6l s TYR 74 N -1.32 3.26 -0.28 3.50 5.04 -1.26 -4.91 117.35 121.38 1y6l s TYR 74 Ca -0.14 -1.20 -0.17 0.00 -2.44 0.00 0.00 57.07 53.12 1y6l s TYR 74 Cb -0.09 -3.50 0.08 0.00 0.35 0.00 0.00 41.96 38.81 1y6l s TYR 74 CO -0.00 -0.93 0.72 -1.58 -1.34 0.00 0.00 175.55 172.42 1y6l s HIS 75 N 1.59 -1.00 0.59 4.97 2.46 -1.26 -4.76 115.29 117.89 1y6l s HIS 75 Ca 0.04 2.03 0.41 0.00 0.47 0.00 0.00 55.06 58.01 1y6l s HIS 75 Cb -0.27 0.58 2.22 0.00 -0.13 0.00 0.00 32.58 34.98 1y6l s HIS 75 CO 0.04 -0.49 2.31 0.00 -2.47 0.00 0.00 174.74 174.13 1y6l n ASN 77 N -3.21 3.50 -3.72 0.00 4.13 -1.26 0.26 115.26 114.97 1y6l n ASN 77 Ca -0.03 -1.97 -0.21 0.00 1.68 0.00 0.00 54.58 54.05 1y6l n ASN 77 Cb 0.10 -0.34 -0.18 0.00 -1.54 0.00 0.00 39.78 37.82 1y6l n ASN 77 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1y6l s ILE 78 N -1.14 0.12 0.38 2.41 1.01 -0.98 -0.72 121.20 122.28 1y6l s ILE 78 Ca 0.39 0.28 0.04 0.00 0.00 0.00 0.00 60.65 61.36 1y6l s ILE 78 Cb 0.21 -0.33 0.07 0.00 0.01 0.00 0.00 42.46 42.42 1y6l s ILE 78 CO 0.28 0.22 0.52 -0.46 0.00 0.00 0.00 174.94 175.50 1y6l n ASN 79 N 5.22 1.15 0.02 3.58 0.23 -0.71 -4.39 115.26 120.37 1y6l n ASN 79 Ca -0.05 -1.87 0.09 0.00 -0.53 0.00 0.00 54.58 52.22 1y6l n ASN 79 Cb 0.50 -0.30 0.37 0.00 -2.08 0.00 0.00 39.78 38.28 1y6l n ASN 79 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1y6l n SER 80 N -2.69 0.10 -1.22 0.53 3.41 -1.26 -0.86 113.62 111.63 1y6l n SER 80 Ca 0.10 0.52 0.11 0.00 -0.26 0.00 0.00 58.87 59.35 1y6l n SER 80 Cb 0.36 -0.54 0.28 0.00 -0.26 0.00 0.00 64.21 64.05 1y6l n SER 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y6l n GLN 81 N -1.61 2.55 -1.14 4.33 6.02 -1.26 -4.93 117.38 121.34 1y6l n GLN 81 Ca 0.04 -2.38 -0.05 0.00 -0.01 0.00 0.00 57.00 54.60 1y6l n GLN 81 Cb 0.21 -1.53 -0.02 0.00 1.02 0.00 0.00 30.24 29.92 1y6l n GLN 81 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1y6l n GLY 82 N 1.56 0.71 3.74 1.08 0.00 -0.04 -4.81 105.19 107.42 1y6l n GLY 82 Ca 0.22 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 1y6l n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y6l s VAL 83 N -1.98 3.18 -0.23 1.61 1.01 -1.26 -1.34 120.40 121.38 1y6l s VAL 83 Ca 0.00 0.97 -0.06 0.00 0.00 0.00 0.00 61.98 62.89 1y6l s VAL 83 Cb 0.00 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 1y6l s VAL 83 CO 0.00 0.15 0.04 -0.63 0.00 0.00 0.00 175.10 174.65 1y6l s ILE 84 N 0.10 4.07 -0.80 2.22 1.01 -1.26 -1.73 121.20 124.81 1y6l s ILE 84 Ca 0.57 -0.26 -0.24 0.00 0.00 0.00 0.00 60.65 60.72 1y6l s ILE 84 Cb -0.37 -2.88 0.05 0.00 0.01 0.00 0.00 42.46 39.27 1y6l s ILE 84 CO 0.39 0.37 1.22 0.00 0.00 0.00 0.00 174.94 176.92 1y6l s LEU 86 N 4.87 -0.03 0.23 0.00 2.96 -1.26 -4.92 118.68 120.53 1y6l s LEU 86 Ca 0.34 0.46 -0.11 0.00 -0.22 0.00 0.00 54.13 54.60 1y6l s LEU 86 Cb -0.08 0.51 0.32 0.00 0.50 0.00 0.00 46.19 47.44 1y6l s LEU 86 CO 0.06 -0.22 1.62 -2.24 -1.32 0.00 0.00 176.35 174.25 1y6l h ASP 87 N 8.08 -0.56 0.47 3.68 2.03 -1.98 -0.81 116.42 127.33 1y6l h ASP 87 Ca -0.20 0.21 0.00 0.00 -0.73 0.00 0.00 57.03 56.31 1y6l h ASP 87 Cb 1.12 0.41 0.00 0.00 -0.83 0.00 0.00 39.33 40.03 1y6l h ASP 87 CO 0.19 -0.22 0.00 2.30 -1.03 0.00 0.00 179.24 180.49 1y6l n ILE 88 N -5.43 1.03 1.22 4.15 -5.35 -1.26 -1.00 119.36 112.72 1y6l n ILE 88 Ca 0.10 0.26 0.13 0.00 -0.27 0.00 0.00 62.75 62.97 1y6l n ILE 88 Cb 0.39 -1.02 0.31 0.00 -1.74 0.00 0.00 39.64 37.58 1y6l n ILE 88 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1y6l n LEU 89 N -1.49 1.39 0.00 7.28 4.77 -0.31 -3.55 117.00 125.09 1y6l n LEU 89 Ca 0.03 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 1y6l n LEU 89 Cb 0.16 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1y6l n LEU 89 CO 0.13 0.25 0.00 2.29 -1.33 0.00 0.00 177.39 178.73 1y6l n LYS 90 N -0.30 0.00 0.18 3.23 2.85 -0.17 -4.82 118.16 119.13 1y6l n LYS 90 Ca 0.13 0.00 0.13 0.00 -1.05 0.00 0.00 58.31 57.51 1y6l n LYS 90 Cb 0.39 0.00 0.31 0.00 -0.65 0.00 0.00 35.03 35.07 1y6l n LYS 90 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 1y6l h ASP 91 N 0.00 0.00 -0.66 -5.58 3.32 -1.85 -3.18 116.42 108.46 1y6l h ASP 91 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1y6l h ASP 91 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1y6l h ASP 91 CO 0.00 0.00 0.00 -3.20 -1.72 0.00 0.00 179.24 174.32 1y6l n ASN 92 N -2.75 4.43 -4.77 6.45 2.85 -0.75 -4.96 115.26 115.76 1y6l n ASN 92 Ca 0.04 -2.31 -0.36 0.00 -0.11 0.00 0.00 54.58 51.84 1y6l n ASN 92 Cb 0.46 -0.55 -0.00 0.00 1.24 0.00 0.00 39.78 40.94 1y6l n ASN 92 CO 0.00 0.00 0.00 0.86 -2.11 0.00 0.00 177.26 176.01 1y6l s TRP 93 N -1.61 2.76 0.06 1.20 -0.11 -1.20 -4.58 118.94 115.45 1y6l s TRP 93 Ca 0.50 1.53 -0.06 0.00 1.22 0.00 0.00 56.10 59.29 1y6l s TRP 93 Cb 0.30 -3.37 -0.01 0.00 -1.50 0.00 0.00 33.47 28.89 1y6l s TRP 93 CO 0.27 -1.62 0.10 -1.54 -4.62 0.00 0.00 176.95 169.54 1y6l s SER 94 N -1.49 0.22 0.00 5.86 1.04 -1.26 -5.03 113.70 113.03 1y6l s SER 94 Ca 0.68 -0.66 0.10 0.00 0.48 0.00 0.00 55.95 56.55 1y6l s SER 94 Cb -0.28 0.26 0.51 0.00 0.10 0.00 0.00 66.02 66.61 1y6l s SER 94 CO 0.32 -0.60 1.19 -0.81 0.98 0.00 0.00 173.24 174.33 1y6l n PRO 95 N 0.38 0.16 0.23 4.02 -0.04 -1.25 -1.42 135.00 137.08 1y6l n PRO 95 Ca -0.17 0.18 0.11 0.00 -0.04 0.00 0.00 63.50 63.58 1y6l n PRO 95 Cb 0.60 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 33.03 1y6l n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1y6l h ALA 96 N 2.48 1.00 -2.43 0.55 0.00 -1.96 -3.46 119.26 115.44 1y6l h ALA 96 Ca 0.00 -0.16 -0.48 0.00 0.00 0.00 0.00 54.91 54.28 1y6l h ALA 96 Cb 0.09 -0.03 0.08 0.00 0.00 0.00 0.00 17.79 17.93 1y6l h ALA 96 CO 0.00 0.21 0.33 -0.51 0.00 0.00 0.00 179.25 179.28 1y6l s LEU 97 N -6.60 2.88 0.17 0.00 1.43 -0.51 -5.09 118.68 110.96 1y6l s LEU 97 Ca 0.01 0.85 -0.00 0.00 -1.03 0.00 0.00 54.13 53.96 1y6l s LEU 97 Cb 0.09 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 1y6l s LEU 97 CO 0.62 -1.44 0.07 0.42 0.23 0.00 0.00 176.35 176.26 1y6l s THR 98 N -3.30 0.21 0.41 5.49 -4.23 -1.26 -4.99 115.64 107.97 1y6l s THR 98 Ca 0.58 -1.95 0.11 0.00 -1.18 0.00 0.00 61.69 59.25 1y6l s THR 98 Cb -0.11 -2.24 0.17 0.00 1.34 0.00 0.00 72.50 71.67 1y6l s THR 98 CO 0.48 -0.30 1.95 -0.29 -0.54 0.00 0.00 174.62 175.93 1y6l h ILE 99 N 2.72 1.15 -0.43 2.99 6.09 -1.99 -1.59 117.51 126.47 1y6l h ILE 99 Ca -0.36 -0.68 0.03 0.00 -1.37 0.00 0.00 64.86 62.48 1y6l h ILE 99 Cb 1.22 1.21 -0.03 0.00 0.47 0.00 0.00 36.82 39.69 1y6l h ILE 99 CO 0.58 0.21 0.23 0.28 -3.07 0.00 0.00 178.15 176.38 1y6l h SER 100 N 0.16 0.36 -0.45 2.19 0.02 -1.96 -0.65 113.55 113.22 1y6l h SER 100 Ca 0.03 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.91 1y6l h SER 100 Cb 0.33 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1y6l h SER 100 CO 0.02 0.26 -0.03 0.11 -1.14 0.00 0.00 176.83 176.05 1y6l h LYS 101 N 0.47 0.87 0.06 3.45 1.57 -1.75 0.57 116.57 121.81 1y6l h LYS 101 Ca 0.18 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1y6l h LYS 101 Cb 0.05 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1y6l h LYS 101 CO -0.10 0.89 -0.03 0.28 -0.57 0.00 0.00 179.45 179.92 1y6l h VAL 102 N 0.80 0.96 -0.32 0.50 2.07 -1.08 -1.59 116.25 117.59 1y6l h VAL 102 Ca 0.15 -0.07 -0.12 0.00 0.82 0.00 0.00 66.70 67.48 1y6l h VAL 102 Cb 0.52 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1y6l h VAL 102 CO 0.03 0.02 -0.29 -0.07 0.02 0.00 0.00 177.57 177.28 1y6l h LEU 103 N -0.11 0.67 -0.80 2.57 3.38 -0.85 -0.85 115.31 119.32 1y6l h LEU 103 Ca -0.01 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1y6l h LEU 103 Cb 0.09 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1y6l h LEU 103 CO 0.01 0.93 0.52 0.25 0.09 0.00 0.00 178.44 180.24 1y6l h LEU 104 N 0.56 0.93 -1.07 1.67 5.85 -0.83 -1.07 115.31 121.36 1y6l h LEU 104 Ca 0.07 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 1y6l h LEU 104 Cb 0.78 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1y6l h LEU 104 CO 0.06 0.69 -0.07 -1.28 -0.34 0.00 0.00 178.44 177.50 1y6l h SER 105 N 1.09 0.55 -0.28 1.25 0.87 -0.68 0.05 113.55 116.39 1y6l h SER 105 Ca 0.29 -0.13 -0.15 0.00 -1.23 0.00 0.00 61.79 60.57 1y6l h SER 105 Cb -0.11 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 61.71 1y6l h SER 105 CO -0.06 0.67 -0.41 0.40 -0.53 0.00 0.00 176.83 176.90 1y6l h ILE 106 N 0.54 1.29 -0.25 2.23 2.04 -0.88 -0.79 117.51 121.70 1y6l h ILE 106 Ca 0.10 -1.60 0.05 0.00 1.00 0.00 0.00 64.86 64.41 1y6l h ILE 106 Cb 0.46 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 38.13 1y6l h ILE 106 CO 0.02 0.52 -0.03 0.00 0.00 0.00 0.00 178.15 178.66 1y6l h SER 108 N 0.04 0.79 -0.55 0.00 0.02 -0.87 -1.95 113.55 111.03 1y6l h SER 108 Ca 0.12 0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 1y6l h SER 108 Cb 0.17 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 1y6l h SER 108 CO -0.23 0.36 0.20 0.25 -1.14 0.00 0.00 176.83 176.27 1y6l h LEU 109 N 0.83 0.80 -1.11 5.07 5.85 -0.65 0.36 115.31 126.47 1y6l h LEU 109 Ca 0.52 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 59.03 1y6l h LEU 109 Cb 0.66 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1y6l h LEU 109 CO -0.33 0.74 -0.34 -0.07 -0.34 0.00 0.00 178.44 178.11 1y6l h LEU 110 N 0.85 0.19 -0.02 2.25 3.38 -0.59 -2.50 115.31 118.87 1y6l h LEU 110 Ca 0.20 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 1y6l h LEU 110 Cb 0.21 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 40.92 1y6l h LEU 110 CO -0.01 0.52 -0.50 0.74 0.09 0.00 0.00 178.44 179.28 1y6l h THR 111 N 0.17 1.44 -3.10 0.22 2.02 -0.95 -3.42 112.91 109.28 1y6l h THR 111 Ca 0.02 -1.98 -0.54 0.00 0.77 0.00 0.00 66.41 64.68 1y6l h THR 111 Cb 0.68 2.53 -0.40 0.00 -1.74 0.00 0.00 68.15 69.22 1y6l h THR 111 CO 0.05 0.57 -0.76 -1.81 0.37 0.00 0.00 175.52 173.94 1y6l s ASP 112 N -6.62 3.43 0.88 4.18 1.01 0.12 -5.04 116.67 114.63 1y6l s ASP 112 Ca -0.14 -1.22 -0.12 0.00 0.71 0.00 0.00 52.55 51.79 1y6l s ASP 112 Cb 0.03 -0.61 0.12 0.00 1.01 0.00 0.00 42.92 43.47 1y6l s ASP 112 CO 0.80 -0.38 1.10 0.00 0.21 0.00 0.00 175.17 176.90 1y6l s ASN 114 N -3.65 5.30 0.57 0.00 0.01 -1.26 -4.93 114.94 110.97 1y6l s ASN 114 Ca 0.63 -3.60 0.35 0.00 -0.71 0.00 0.00 52.86 49.53 1y6l s ASN 114 Cb -0.17 -1.77 1.53 0.00 0.41 0.00 0.00 41.25 41.25 1y6l s ASN 114 CO 0.56 -0.17 2.05 1.55 -1.51 0.00 0.00 177.10 179.57 1y6l h PRO 115 N 5.95 0.00 -0.00 -0.60 0.13 -1.95 -1.42 132.00 134.11 1y6l h PRO 115 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1y6l h PRO 115 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1y6l h PRO 115 CO 0.77 0.02 -0.01 0.00 -0.23 0.00 0.00 178.00 178.55 1y6l n ALA 116 N -2.10 2.44 -3.19 -0.56 0.00 -1.26 -3.62 120.51 112.21 1y6l n ALA 116 Ca -0.00 -0.13 -0.23 0.00 0.00 0.00 0.00 53.44 53.08 1y6l n ALA 116 Cb 0.27 -1.48 -0.06 0.00 0.00 0.00 0.00 19.45 18.19 1y6l n ALA 116 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1y6l n ASP 117 N -1.37 1.67 -4.88 0.00 2.03 -0.54 -5.11 116.55 108.35 1y6l n ASP 117 Ca 0.11 -3.07 -0.30 0.00 0.52 0.00 0.00 54.79 52.05 1y6l n ASP 117 Cb 0.28 -0.63 -0.04 0.00 -0.72 0.00 0.00 41.12 40.02 1y6l n ASP 117 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1y6l s PRO 118 N -2.14 3.76 -0.15 -0.67 0.04 -1.24 -4.87 135.00 129.74 1y6l s PRO 118 Ca 0.40 0.32 0.14 0.00 0.04 0.00 0.00 61.00 61.90 1y6l s PRO 118 Cb 0.24 -2.51 -0.24 0.00 0.04 0.00 0.00 34.50 32.03 1y6l s PRO 118 CO -0.09 0.12 0.25 -0.11 0.04 0.00 0.00 177.00 177.21 1y6l n LEU 119 N -0.90 0.56 -4.02 -3.56 7.94 0.14 -4.73 117.00 112.42 1y6l n LEU 119 Ca 0.01 0.13 -0.33 0.00 -1.11 0.00 0.00 56.01 54.71 1y6l n LEU 119 Cb 0.54 0.25 -0.13 0.00 0.53 0.00 0.00 43.42 44.61 1y6l n LEU 119 CO 0.47 0.50 -0.14 -0.69 -1.11 0.00 0.00 177.39 176.42 1y6l s VAL 120 N -2.53 2.96 0.34 1.96 1.01 0.76 -4.97 120.40 119.93 1y6l s VAL 120 Ca -0.10 -2.92 0.03 0.00 0.00 0.00 0.00 61.98 58.98 1y6l s VAL 120 Cb 0.07 -3.02 0.23 0.00 0.00 0.00 0.00 36.38 33.65 1y6l s VAL 120 CO 0.81 -0.78 1.96 1.23 0.00 0.00 0.00 175.10 178.32 1y6l h GLY 121 N 7.01 0.79 0.66 4.51 0.00 -1.85 -2.00 103.07 112.18 1y6l h GLY 121 Ca -0.06 -0.35 0.08 0.00 0.00 0.00 0.00 47.33 47.00 1y6l h GLY 121 CO 0.67 0.34 0.58 1.48 0.00 0.00 0.00 176.54 179.61 1y6l h SER 122 N 0.74 0.90 -0.07 0.19 4.64 -1.97 -0.29 113.55 117.69 1y6l h SER 122 Ca 0.19 0.02 -0.17 0.00 -0.47 0.00 0.00 61.79 61.36 1y6l h SER 122 Cb 0.05 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1y6l h SER 122 CO -0.03 0.55 -0.57 0.40 -0.87 0.00 0.00 176.83 176.32 1y6l h ILE 123 N 1.02 1.31 -0.11 0.95 2.04 -1.76 -1.72 117.51 119.24 1y6l h ILE 123 Ca 0.42 -1.80 0.01 0.00 1.00 0.00 0.00 64.86 64.49 1y6l h ILE 123 Cb 0.25 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1y6l h ILE 123 CO -0.20 0.57 0.02 0.00 0.00 0.00 0.00 178.15 178.54 1y6l h ALA 124 N 0.86 0.11 -0.86 1.87 0.00 -1.10 -0.23 119.26 119.91 1y6l h ALA 124 Ca 0.01 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1y6l h ALA 124 Cb 1.14 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.90 1y6l h ALA 124 CO 0.11 -0.43 0.55 1.15 0.00 0.00 0.00 179.25 180.63 1y6l h THR 125 N 0.07 1.15 -0.52 0.00 2.02 -1.00 -2.39 112.91 112.24 1y6l h THR 125 Ca 0.05 -0.37 -0.08 0.00 0.77 0.00 0.00 66.41 66.77 1y6l h THR 125 Cb 0.04 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.40 1y6l h THR 125 CO -0.06 0.20 -0.01 -0.61 0.37 0.00 0.00 175.52 175.41 1y6l h GLN 126 N 1.09 0.89 -0.99 6.66 4.15 -1.00 -1.09 115.11 124.82 1y6l h GLN 126 Ca 0.34 -0.26 0.02 0.00 0.77 0.00 0.00 58.65 59.51 1y6l h GLN 126 Cb -0.02 -0.09 -0.05 0.00 0.21 0.00 0.00 27.48 27.53 1y6l h GLN 126 CO -0.11 0.89 0.66 -0.92 -1.93 0.00 0.00 178.83 177.42 1y6l h TYR 127 N 0.82 1.24 0.18 3.99 3.20 -0.55 0.26 116.97 126.12 1y6l h TYR 127 Ca 0.15 0.03 -0.28 0.00 3.14 0.00 0.00 58.73 61.78 1y6l h TYR 127 Cb 0.51 -0.42 0.02 0.00 1.54 0.00 0.00 36.73 38.38 1y6l h TYR 127 CO 0.03 0.76 -1.27 0.52 -1.64 0.00 0.00 178.16 176.56 1y6l h MET 128 N 1.32 0.39 0.10 1.82 2.86 -1.32 -3.30 114.93 116.80 1y6l h MET 128 Ca 0.37 -0.66 -0.34 0.00 -2.06 0.00 0.00 59.70 57.01 1y6l h MET 128 Cb -0.11 0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 1y6l h MET 128 CO -0.09 1.32 -1.85 1.79 1.06 0.00 0.00 176.91 179.14 1y6l h THR 129 N -0.12 0.77 -2.08 2.22 1.35 -1.18 -3.42 112.91 110.46 1y6l h THR 129 Ca -0.24 -2.50 -0.57 0.00 -0.55 0.00 0.00 66.41 62.55 1y6l h THR 129 Cb 1.91 2.55 -0.40 0.00 -1.73 0.00 0.00 68.15 70.47 1y6l h THR 129 CO 0.18 0.79 -0.95 -3.20 -0.25 0.00 0.00 175.52 172.09 1y6l n ASN 130 N -3.39 1.19 -0.36 5.36 2.85 0.07 -4.96 115.26 116.03 1y6l n ASN 130 Ca -0.26 -2.90 0.02 0.00 -0.11 0.00 0.00 54.58 51.34 1y6l n ASN 130 Cb 1.05 -0.65 0.17 0.00 1.24 0.00 0.00 39.78 41.59 1y6l n ASN 130 CO 0.00 0.00 0.00 -0.09 -2.11 0.00 0.00 177.26 175.06 1y6l h ARG 131 N 4.12 1.09 -0.41 1.20 2.43 -1.61 -1.91 114.38 119.30 1y6l h ARG 131 Ca 0.11 -0.07 0.07 0.00 -0.81 0.00 0.00 59.98 59.29 1y6l h ARG 131 Cb 0.82 -0.25 -0.07 0.00 -0.42 0.00 0.00 29.97 30.06 1y6l h ARG 131 CO 0.57 0.72 0.01 0.00 -1.51 0.00 0.00 179.97 179.76 1y6l h ALA 132 N 1.44 0.38 -0.25 2.80 0.00 -1.90 -0.25 119.26 121.48 1y6l h ALA 132 Ca 0.42 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.34 1y6l h ALA 132 Cb 0.17 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1y6l h ALA 132 CO -0.17 -0.39 -0.27 1.49 0.00 0.00 0.00 179.25 179.91 1y6l h GLU 133 N 0.11 0.63 -0.54 0.00 4.57 -1.80 -1.87 114.58 115.68 1y6l h GLU 133 Ca 0.20 -0.34 0.11 0.00 -1.18 0.00 0.00 59.36 58.15 1y6l h GLU 133 Cb 0.28 0.02 -0.11 0.00 -0.16 0.00 0.00 28.75 28.78 1y6l h GLU 133 CO -0.33 0.94 -0.18 1.25 -1.18 0.00 0.00 179.01 179.51 1y6l h HIS 134 N 0.34 -0.43 -0.31 0.92 2.76 -0.72 -0.88 115.15 116.83 1y6l h HIS 134 Ca 0.04 0.05 -0.12 0.00 -2.20 0.00 0.00 60.37 58.14 1y6l h HIS 134 Cb 0.84 0.27 -0.01 0.00 1.55 0.00 0.00 27.41 30.06 1y6l h HIS 134 CO 0.08 -0.28 -0.29 -0.44 -1.30 0.00 0.00 177.93 175.70 1y6l h ASP 135 N -0.05 0.66 -0.12 3.26 3.32 -0.96 0.56 116.42 123.08 1y6l h ASP 135 Ca 0.26 -0.25 0.01 0.00 0.02 0.00 0.00 57.03 57.07 1y6l h ASP 135 Cb 0.45 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1y6l h ASP 135 CO -0.58 0.92 0.04 -0.09 -1.72 0.00 0.00 179.24 177.80 1y6l h ARG 136 N 0.55 0.09 -0.51 3.56 2.43 -0.74 -1.21 114.38 118.57 1y6l h ARG 136 Ca 0.07 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.20 1y6l h ARG 136 Cb 0.78 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 1y6l h ARG 136 CO 0.06 0.06 0.18 0.52 -1.51 0.00 0.00 179.97 179.28 1y6l h MET 137 N 0.10 0.77 -0.20 0.20 2.86 -0.79 -0.96 114.93 116.90 1y6l h MET 137 Ca 0.05 -0.15 0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1y6l h MET 137 Cb 0.03 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 1y6l h MET 137 CO -0.06 0.70 0.11 0.00 1.06 0.00 0.00 176.91 178.72 1y6l h ALA 138 N 1.03 0.25 -0.41 6.32 0.00 -0.81 -0.08 119.26 125.56 1y6l h ALA 138 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1y6l h ALA 138 Cb 0.24 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1y6l h ALA 138 CO -0.01 -0.30 0.16 0.00 0.00 0.00 0.00 179.25 179.09 1y6l h ARG 139 N 0.23 0.32 -0.44 0.00 3.08 -1.14 -1.28 114.38 115.15 1y6l h ARG 139 Ca 0.08 -0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.16 1y6l h ARG 139 Cb 0.01 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 29.94 1y6l h ARG 139 CO -0.05 0.21 0.19 0.37 -1.07 0.00 0.00 179.97 179.63 1y6l h GLN 140 N 0.33 0.38 -0.08 0.04 4.15 -0.80 -1.53 115.11 117.60 1y6l h GLN 140 Ca 0.19 -0.02 -0.10 0.00 0.77 0.00 0.00 58.65 59.48 1y6l h GLN 140 Cb 0.15 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 1y6l h GLN 140 CO -0.18 0.25 -0.43 -1.49 -1.93 0.00 0.00 178.83 175.06 1y6l h TRP 141 N 0.39 0.21 0.02 3.99 4.06 -0.84 -0.21 115.95 123.57 1y6l h TRP 141 Ca 0.20 -0.06 -0.00 0.00 2.06 0.00 0.00 58.89 61.09 1y6l h TRP 141 Cb 0.14 -0.05 0.00 0.00 -1.00 0.00 0.00 29.16 28.25 1y6l h TRP 141 CO -0.12 0.58 -0.01 1.15 -3.56 0.00 0.00 178.44 176.48 1y6l h THR 142 N 0.15 1.06 -0.61 1.49 2.02 -0.86 -0.33 112.91 115.83 1y6l h THR 142 Ca 0.01 -0.22 -0.07 0.00 0.77 0.00 0.00 66.41 66.90 1y6l h THR 142 Cb 0.82 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 68.41 1y6l h THR 142 CO 0.06 0.06 0.11 0.50 0.37 0.00 0.00 175.52 176.62 1y6l h LYS 143 N -0.12 1.00 -0.49 6.66 1.63 -1.06 0.10 116.57 124.29 1y6l h LYS 143 Ca -0.00 -0.26 -0.13 0.00 -0.85 0.00 0.00 60.65 59.40 1y6l h LYS 143 Cb 0.11 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 1y6l h LYS 143 CO 0.00 0.93 -0.22 -0.09 -3.45 0.00 0.00 179.45 176.63 1y6l h ARG 144 N 0.91 1.01 0.00 1.90 2.43 -0.94 -3.34 114.38 116.35 1y6l h ARG 144 Ca 0.19 -0.43 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 1y6l h ARG 144 Cb 0.41 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1y6l h ARG 144 CO 0.01 1.11 -0.64 0.66 -1.51 0.00 0.00 179.97 179.61 1y6l n TYR 145 N -4.11 0.00 -0.81 2.20 4.01 -0.14 -4.73 117.16 113.58 1y6l n TYR 145 Ca 0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.80 1y6l n TYR 145 Cb 0.46 -0.01 0.08 0.00 -0.31 0.00 0.00 39.34 39.56 1y6l n TYR 145 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1y6l n ALA 146 N -1.32 2.10 -0.01 -0.72 0.00 0.35 -4.70 120.51 116.21 1y6l n ALA 146 Ca -0.00 -1.89 0.00 0.00 0.00 0.00 0.00 53.44 51.55 1y6l n ALA 146 Cb 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 19.45 19.21 1y6l n ALA 146 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91