#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ryl s ILE 4 N 0.00 5.19 -0.00 2.02 -5.25 -0.21 -4.57 121.20 118.38 1ryl s ILE 4 Ca 0.00 -0.82 0.06 0.00 -0.99 0.00 0.00 60.65 58.90 1ryl s ILE 4 Cb 0.00 -3.70 -0.02 0.00 2.95 0.00 0.00 42.46 41.69 1ryl s ILE 4 CO 0.00 -0.15 -0.18 -0.83 -1.79 0.00 0.00 174.94 171.99 1ryl s GLY 5 N -3.40 0.90 0.02 6.27 0.00 0.10 -1.58 107.32 109.64 1ryl s GLY 5 Ca 0.34 -0.81 -0.07 0.00 0.00 0.00 0.00 44.72 44.18 1ryl s GLY 5 CO 0.28 -0.70 0.12 -2.52 0.00 0.00 0.00 173.10 170.28 1ryl s TYR 6 N -0.50 0.11 -0.39 1.90 -0.85 -0.18 -1.97 117.35 115.46 1ryl s TYR 6 Ca 0.07 -0.30 -0.05 0.00 -0.52 0.00 0.00 57.07 56.26 1ryl s TYR 6 Cb -0.07 -0.09 0.09 0.00 0.38 0.00 0.00 41.96 42.27 1ryl s TYR 6 CO -0.00 -0.33 0.18 -0.06 -1.52 0.00 0.00 175.55 173.82 1ryl s PHE 7 N -2.00 3.45 0.23 -3.49 0.08 0.41 -1.02 117.98 115.64 1ryl s PHE 7 Ca -0.10 -2.03 -0.04 0.00 0.12 0.00 0.00 56.93 54.89 1ryl s PHE 7 Cb -0.04 -2.93 -0.05 0.00 -0.57 0.00 0.00 43.02 39.42 1ryl s PHE 7 CO -0.01 -0.90 0.47 0.00 -0.10 0.00 0.00 175.22 174.67 1ryl s ALA 8 N 1.25 3.72 -0.26 5.36 0.00 0.15 -1.14 121.76 130.84 1ryl s ALA 8 Ca 0.04 -0.63 -0.09 0.00 0.00 0.00 0.00 51.96 51.28 1ryl s ALA 8 Cb -0.22 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.68 1ryl s ALA 8 CO -0.02 0.40 0.11 -2.00 0.00 0.00 0.00 175.76 174.25 1ryl s GLU 9 N -3.27 3.77 -0.01 0.00 2.12 -0.39 -0.42 118.70 120.50 1ryl s GLU 9 Ca 0.42 -0.42 0.06 0.00 0.36 0.00 0.00 54.97 55.39 1ryl s GLU 9 Cb -0.11 -3.43 -0.01 0.00 0.26 0.00 0.00 34.13 30.83 1ryl s GLU 9 CO 0.28 -0.16 -0.18 -1.50 -0.54 0.00 0.00 175.26 173.15 1ryl s ILE 10 N 1.61 1.44 0.62 -3.70 2.07 0.37 -4.15 121.20 119.46 1ryl s ILE 10 Ca 0.06 -0.78 -0.04 0.00 -1.41 0.00 0.00 60.65 58.48 1ryl s ILE 10 Cb -0.15 -1.20 0.04 0.00 0.13 0.00 0.00 42.46 41.27 1ryl s ILE 10 CO 0.06 0.41 0.90 1.51 -1.91 0.00 0.00 174.94 175.91 1ryl s ASP 11 N -0.43 5.20 0.21 4.50 1.47 -1.26 -0.59 116.67 125.77 1ryl s ASP 11 Ca 0.07 0.39 -0.09 0.00 1.18 0.00 0.00 52.55 54.10 1ryl s ASP 11 Cb -0.07 -1.24 0.26 0.00 -0.34 0.00 0.00 42.92 41.53 1ryl s ASP 11 CO -0.01 -1.28 1.77 0.28 0.68 0.00 0.00 175.17 176.62 1ryl h SER 12 N -0.25 0.38 -0.26 2.11 0.02 -1.98 -1.79 113.55 111.78 1ryl h SER 12 Ca -0.44 0.05 0.04 0.00 -0.84 0.00 0.00 61.79 60.60 1ryl h SER 12 Cb 1.29 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 63.79 1ryl h SER 12 CO 0.58 0.23 0.05 -0.08 -1.14 0.00 0.00 176.83 176.47 1ryl h GLU 13 N 0.53 0.14 -0.22 3.45 4.81 -1.99 -1.52 114.58 119.77 1ryl h GLU 13 Ca 0.30 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.45 1ryl h GLU 13 Cb 0.29 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1ryl h GLU 13 CO -0.24 0.09 -0.14 0.87 -0.73 0.00 0.00 179.01 178.86 1ryl h LYS 14 N 0.15 0.49 -0.62 1.92 1.57 -1.89 -2.32 116.57 115.88 1ryl h LYS 14 Ca 0.12 -0.23 -0.09 0.00 -1.87 0.00 0.00 60.65 58.58 1ryl h LYS 14 Cb 0.13 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1ryl h LYS 14 CO -0.16 0.79 0.02 0.97 -0.57 0.00 0.00 179.45 180.49 1ryl h ILE 15 N 0.19 1.27 -0.68 1.86 6.09 -1.29 -0.97 117.51 123.99 1ryl h ILE 15 Ca 0.05 -1.14 -0.06 0.00 -1.37 0.00 0.00 64.86 62.34 1ryl h ILE 15 Cb 0.66 0.76 -0.03 0.00 0.47 0.00 0.00 36.82 38.69 1ryl h ILE 15 CO 0.04 0.42 0.18 0.78 -3.07 0.00 0.00 178.15 176.50 1ryl h ASN 16 N 0.99 1.01 -0.16 2.19 2.35 -1.31 0.10 115.58 120.76 1ryl h ASN 16 Ca 0.18 -0.22 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 1ryl h ASN 16 Cb 0.54 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 1ryl h ASN 16 CO 0.03 0.97 -0.02 -0.61 -1.65 0.00 0.00 177.43 176.15 1ryl h GLN 17 N 1.00 0.42 -0.00 0.81 4.15 -1.15 -2.60 115.11 117.74 1ryl h GLN 17 Ca 0.21 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.55 1ryl h GLN 17 Cb 0.34 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.97 1ryl h GLN 17 CO -0.00 0.47 -0.01 -0.07 -1.93 0.00 0.00 178.83 177.29 1ryl h LEU 18 N 0.41 0.01 0.00 -2.39 3.38 -0.40 -2.95 115.31 113.37 1ryl h LEU 18 Ca 0.09 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1ryl h LEU 18 Cb 0.30 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1ryl h LEU 18 CO 0.01 0.61 0.00 0.18 0.09 0.00 0.00 178.44 179.33 1ryl n LEU 19 N -4.79 0.00 -0.01 1.67 4.77 0.29 -5.10 117.00 113.83 1ryl n LEU 19 Ca -0.09 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.69 1ryl n LEU 19 Cb 0.31 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.26 1ryl n LEU 19 CO 0.34 0.00 -0.24 -0.33 -1.33 0.00 0.00 177.39 175.82 1ryl h GLU 20 N 0.00 0.19 0.00 3.23 3.07 -1.29 -3.50 114.58 116.28 1ryl h GLU 20 Ca 0.00 -0.33 0.00 0.00 -0.50 0.00 0.00 59.36 58.53 1ryl h GLU 20 Cb 0.00 0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 1ryl h GLU 20 CO 0.00 1.16 0.00 1.51 -1.40 0.00 0.00 179.01 180.28 1ryl n ILE 30 N -4.11 0.00 0.28 3.13 0.00 -1.26 -5.03 119.36 112.37 1ryl n ILE 30 Ca -0.22 0.00 0.13 0.00 0.00 0.00 0.00 62.75 62.66 1ryl n ILE 30 Cb 0.80 0.00 0.60 0.00 0.00 0.00 0.00 39.64 41.05 1ryl n ILE 30 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 176.55 177.00 1ryl h HIS 31 N 0.00 0.00 -0.05 9.51 -0.00 -2.05 -0.51 115.15 122.05 1ryl h HIS 31 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 60.37 60.16 1ryl h HIS 31 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 1ryl h HIS 31 CO 0.00 0.00 -0.85 -0.44 -0.00 0.00 0.00 177.93 176.64 1ryl h ASP 32 N 0.00 0.60 -0.04 2.45 3.32 -2.07 -2.50 116.42 118.18 1ryl h ASP 32 Ca 0.00 -0.44 -0.08 0.00 0.02 0.00 0.00 57.03 56.53 1ryl h ASP 32 Cb 0.19 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1ryl h ASP 32 CO 0.00 1.21 -0.29 0.74 -1.72 0.00 0.00 179.24 179.18 1ryl h THR 33 N 0.30 1.47 -0.56 0.35 2.02 -1.57 -3.32 112.91 111.61 1ryl h THR 33 Ca -0.06 -1.80 0.03 0.00 0.77 0.00 0.00 66.41 65.35 1ryl h THR 33 Cb 1.47 2.50 -0.04 0.00 -1.74 0.00 0.00 68.15 70.33 1ryl h THR 33 CO 0.15 0.51 0.32 -0.07 0.37 0.00 0.00 175.52 176.80 1ryl h LEU 34 N -0.30 0.51 -2.08 2.58 3.38 -1.50 -2.46 115.31 115.44 1ryl h LEU 34 Ca -0.03 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1ryl h LEU 34 Cb 0.98 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1ryl h LEU 34 CO 0.06 0.35 0.09 0.77 0.09 0.00 0.00 178.44 179.81 1ryl h SER 35 N 0.63 0.00 0.12 -0.43 4.64 -1.54 -0.72 113.55 116.26 1ryl h SER 35 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1ryl h SER 35 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1ryl h SER 35 CO -0.12 0.00 -0.63 0.61 -0.87 0.00 0.00 176.83 175.83 1ryl n GLY 36 N -1.20 -0.66 3.80 -0.77 0.00 -0.93 -4.96 105.19 100.47 1ryl n GLY 36 Ca -0.02 -0.54 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 1ryl n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ryl s LEU 37 N -2.76 4.46 0.46 0.99 1.43 -0.28 -5.06 118.68 117.93 1ryl s LEU 37 Ca 0.14 1.54 -0.22 0.00 -1.03 0.00 0.00 54.13 54.57 1ryl s LEU 37 Cb 0.17 -3.45 -0.08 0.00 0.03 0.00 0.00 46.19 42.86 1ryl s LEU 37 CO 0.69 0.12 1.10 -0.60 0.23 0.00 0.00 176.35 177.88 1ryl s ARG 38 N -1.57 3.82 0.11 1.70 3.52 -1.26 -4.87 118.95 120.41 1ryl s ARG 38 Ca 0.40 1.58 -0.16 0.00 -0.13 0.00 0.00 55.73 57.41 1ryl s ARG 38 Cb -0.20 -2.31 0.03 0.00 -1.56 0.00 0.00 34.95 30.92 1ryl s ARG 38 CO 0.23 -0.46 0.40 -0.98 -0.81 0.00 0.00 175.30 173.69 1ryl s ARG 39 N -2.85 1.05 -0.29 5.12 3.03 -1.26 -1.26 118.95 122.49 1ryl s ARG 39 Ca 0.64 -0.66 -0.10 0.00 2.03 0.00 0.00 55.73 57.64 1ryl s ARG 39 Cb -0.23 0.46 -0.03 0.00 -1.03 0.00 0.00 34.95 34.12 1ryl s ARG 39 CO 0.28 -0.40 0.16 -1.17 -1.13 0.00 0.00 175.30 173.04 1ryl s LEU 40 N -2.70 3.97 -0.29 -1.89 2.96 -0.29 -4.91 118.68 115.53 1ryl s LEU 40 Ca 0.02 -0.25 -0.08 0.00 -0.22 0.00 0.00 54.13 53.60 1ryl s LEU 40 Cb 0.02 -2.04 -0.01 0.00 0.50 0.00 0.00 46.19 44.65 1ryl s LEU 40 CO -0.11 -0.11 0.11 -0.62 -1.32 0.00 0.00 176.35 174.31 1ryl s ASP 41 N 1.68 5.34 -0.37 3.68 -1.08 -1.26 -0.44 116.67 124.22 1ryl s ASP 41 Ca 0.06 -0.48 0.06 0.00 -0.52 0.00 0.00 52.55 51.67 1ryl s ASP 41 Cb -0.16 -1.95 0.49 0.00 -1.46 0.00 0.00 42.92 39.84 1ryl s ASP 41 CO 0.08 -0.15 1.52 2.30 0.52 0.00 0.00 175.17 179.44 1ryl n ILE 42 N 4.94 2.79 0.00 4.11 -5.35 -0.83 -5.02 119.36 119.99 1ryl n ILE 42 Ca -0.15 -3.15 0.00 0.00 -0.27 0.00 0.00 62.75 59.19 1ryl n ILE 42 Cb 0.49 -0.70 0.00 0.00 -1.74 0.00 0.00 39.64 37.69 1ryl n ILE 42 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1ryl n ASP 43 N -0.98 0.00 -1.70 7.28 2.03 -1.25 -1.03 116.55 120.90 1ryl n ASP 43 Ca 0.43 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.62 1ryl n ASP 43 Cb 0.98 0.00 0.21 0.00 -0.72 0.00 0.00 41.12 41.59 1ryl n ASP 43 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1ryl n LYS 44 N 14.00 2.27 -0.17 -0.67 5.02 -1.26 0.00 118.16 137.35 1ryl n LYS 44 Ca 0.00 -3.09 0.12 0.00 -2.02 0.00 0.00 58.31 53.32 1ryl n LYS 44 Cb 0.00 -2.02 0.21 0.00 -0.02 0.00 0.00 35.03 33.20 1ryl n LYS 44 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ryl n ARG 45 N -1.00 2.49 -0.33 1.97 1.74 -0.20 -4.50 116.66 116.83 1ryl n ARG 45 Ca 0.45 -2.24 -0.01 0.00 -0.77 0.00 0.00 57.85 55.29 1ryl n ARG 45 Cb 1.35 -1.51 0.16 0.00 -1.02 0.00 0.00 32.46 31.44 1ryl n ARG 45 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 1ryl h TRP 46 N 4.46 1.16 0.00 -1.55 5.08 -1.78 -1.83 115.95 121.49 1ryl h TRP 46 Ca 0.00 0.03 -0.15 0.00 1.08 0.00 0.00 58.89 59.84 1ryl h TRP 46 Cb 0.98 -0.39 -0.02 0.00 -3.00 0.00 0.00 29.16 26.73 1ryl h TRP 46 CO 0.23 0.72 -0.73 0.22 -1.28 0.00 0.00 178.44 177.60 1ryl h ASP 47 N 1.24 0.00 -0.63 0.11 3.58 -1.80 -0.73 116.42 118.19 1ryl h ASP 47 Ca 0.34 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.78 1ryl h ASP 47 Cb -0.12 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 40.90 1ryl h ASP 47 CO -0.08 0.73 0.33 -0.26 -2.88 0.00 0.00 179.24 177.08 1ryl h PHE 48 N 0.00 0.87 -0.13 0.28 0.04 -1.62 0.29 116.94 116.67 1ryl h PHE 48 Ca -0.01 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.73 1ryl h PHE 48 Cb 1.32 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 39.18 1ryl h PHE 48 CO 0.00 0.64 0.06 1.25 -0.60 0.00 0.00 178.31 179.66 1ryl h LEU 49 N 0.85 0.17 -0.70 1.54 5.85 -1.09 0.22 115.31 122.16 1ryl h LEU 49 Ca 0.22 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1ryl h LEU 49 Cb 0.06 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1ryl h LEU 49 CO -0.03 0.26 0.45 -0.74 -0.34 0.00 0.00 178.44 178.04 1ryl h HIS 50 N 0.08 0.89 -0.56 1.25 2.76 -0.74 -2.19 115.15 116.65 1ryl h HIS 50 Ca 0.04 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.15 1ryl h HIS 50 Cb 0.13 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 28.77 1ryl h HIS 50 CO -0.03 0.57 0.05 0.35 -1.30 0.00 0.00 177.93 177.58 1ryl h PHE 51 N 0.95 1.02 0.00 5.26 3.57 -0.19 -1.24 116.94 126.31 1ryl h PHE 51 Ca 0.25 -0.16 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 1ryl h PHE 51 Cb -0.09 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 38.38 1ryl h PHE 51 CO -0.02 0.91 -0.13 0.78 -2.23 0.00 0.00 178.31 177.62 1ryl h GLY 52 N 0.84 0.00 0.21 2.40 0.00 -0.14 0.31 103.07 106.69 1ryl h GLY 52 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.39 1ryl h GLY 52 CO 0.02 0.00 -1.92 1.04 0.00 0.00 0.00 176.54 175.68 1ryl n LEU 53 N -3.95 0.18 0.00 3.11 4.77 -0.86 -4.69 117.00 115.56 1ryl n LEU 53 Ca -0.02 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1ryl n LEU 53 Cb 0.22 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1ryl n LEU 53 CO 0.32 0.11 -0.50 0.35 -1.33 0.00 0.00 177.39 176.34 1ryl n THR 54 N -2.48 0.00 -0.61 -5.08 -2.24 -0.49 -4.93 114.28 98.45 1ryl n THR 54 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1ryl n THR 54 Cb 0.73 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 1ryl n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ryl n GLY 55 N 2.78 0.69 3.24 3.38 0.00 0.11 -5.01 105.19 110.38 1ryl n GLY 55 Ca 0.00 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 1ryl n GLY 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ryl s THR 56 N -2.00 0.40 0.34 2.61 -4.23 -1.26 -5.01 115.64 106.50 1ryl s THR 56 Ca 0.00 -1.98 -0.11 0.00 -1.18 0.00 0.00 61.69 58.43 1ryl s THR 56 Cb 0.00 -2.33 -0.07 0.00 1.34 0.00 0.00 72.50 71.44 1ryl s THR 56 CO 0.00 -0.24 0.70 -0.55 -0.54 0.00 0.00 174.62 173.98 1ryl s SER 57 N -3.19 6.60 0.43 3.99 0.15 -1.26 -2.84 113.70 117.58 1ryl s SER 57 Ca 0.31 1.08 0.15 0.00 0.70 0.00 0.00 55.95 58.19 1ryl s SER 57 Cb 0.07 -2.30 0.95 0.00 -1.71 0.00 0.00 66.02 63.03 1ryl s SER 57 CO 0.08 -0.27 1.94 0.00 1.20 0.00 0.00 173.24 176.19 1ryl h ALA 58 N 1.79 1.55 0.00 5.45 0.00 -1.92 -2.13 119.26 123.99 1ryl h ALA 58 Ca -0.47 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.21 1ryl h ALA 58 Cb 1.18 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1ryl h ALA 58 CO 0.65 0.30 -0.02 0.74 0.00 0.00 0.00 179.25 180.93 1ryl h PHE 59 N 0.00 0.00 -0.81 0.00 0.04 -1.99 -3.33 116.94 110.84 1ryl h PHE 59 Ca -0.00 0.00 -0.36 0.00 2.80 0.00 0.00 57.97 60.41 1ryl h PHE 59 Cb 0.44 0.00 -0.24 0.00 2.20 0.00 0.00 35.95 38.35 1ryl h PHE 59 CO 0.00 0.02 -0.74 -3.47 -0.60 0.00 0.00 178.31 173.52 1ryl n ASP 60 N -3.15 -1.58 -4.81 2.17 2.03 -0.84 -5.15 116.55 105.21 1ryl n ASP 60 Ca -0.01 -3.11 -0.31 0.00 0.52 0.00 0.00 54.79 51.88 1ryl n ASP 60 Cb 0.22 0.84 0.06 0.00 -0.72 0.00 0.00 41.12 41.53 1ryl n ASP 60 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1ryl s PRO 61 N -0.16 2.78 0.56 -0.67 0.04 -0.98 -4.34 135.00 132.23 1ryl s PRO 61 Ca 0.33 0.98 -0.20 0.00 0.04 0.00 0.00 61.00 62.15 1ryl s PRO 61 Cb 0.22 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.75 1ryl s PRO 61 CO -0.18 -1.22 1.20 0.00 0.04 0.00 0.00 177.00 176.85 1ryl s ALA 62 N -3.02 2.65 0.19 8.56 0.00 -1.26 -4.93 121.76 123.94 1ryl s ALA 62 Ca 0.59 1.00 -0.31 0.00 0.00 0.00 0.00 51.96 53.24 1ryl s ALA 62 Cb -0.15 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.44 1ryl s ALA 62 CO 0.55 -1.06 1.50 0.15 0.00 0.00 0.00 175.76 176.90 1ryl s LYS 63 N -3.20 4.25 -0.99 0.00 -0.14 -1.26 -3.45 119.74 114.95 1ryl s LYS 63 Ca 0.75 2.30 -0.12 0.00 -1.36 0.00 0.00 55.97 57.54 1ryl s LYS 63 Cb -0.30 -3.15 -0.01 0.00 -1.68 0.00 0.00 37.83 32.69 1ryl s LYS 63 CO 0.34 -0.52 0.74 -1.71 -0.76 0.00 0.00 175.35 173.43 1ryl n ASN 64 N 3.41 -5.81 -4.17 2.83 5.15 -1.26 -4.96 115.26 110.45 1ryl n ASN 64 Ca 0.11 -0.80 -0.37 0.00 -0.60 0.00 0.00 54.58 52.93 1ryl n ASN 64 Cb 0.40 -3.49 -0.12 0.00 -0.53 0.00 0.00 39.78 36.04 1ryl n ASN 64 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1ryl s ASP 65 N -3.26 5.23 0.52 1.20 -1.08 -1.22 -4.97 116.67 113.08 1ryl s ASP 65 Ca 0.28 -1.68 0.22 0.00 -0.52 0.00 0.00 52.55 50.84 1ryl s ASP 65 Cb -0.10 -1.83 1.34 0.00 -1.46 0.00 0.00 42.92 40.87 1ryl s ASP 65 CO 0.84 -0.45 2.05 1.55 0.52 0.00 0.00 175.17 179.68 1ryl h PRO 66 N 8.11 0.02 -0.02 4.34 0.13 -1.94 0.14 132.00 142.78 1ryl h PRO 66 Ca -0.17 -0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.82 1ryl h PRO 66 Cb 1.06 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.17 1ryl h PRO 66 CO 0.66 0.01 -0.61 -0.07 -0.23 0.00 0.00 178.00 177.76 1ryl h LEU 67 N 0.02 0.07 -0.37 1.56 3.38 -1.93 -1.42 115.31 116.61 1ryl h LEU 67 Ca 0.17 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 1ryl h LEU 67 Cb 0.64 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1ryl h LEU 67 CO -0.01 0.66 -0.33 -1.28 0.09 0.00 0.00 178.44 177.58 1ryl h SER 68 N 0.04 0.93 0.68 -0.43 0.87 -1.36 -2.76 113.55 111.51 1ryl h SER 68 Ca -0.01 -0.46 -0.03 0.00 -1.23 0.00 0.00 61.79 60.07 1ryl h SER 68 Cb 1.09 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 62.78 1ryl h SER 68 CO 0.08 1.19 -0.13 0.03 -0.53 0.00 0.00 176.83 177.47 1ryl h ARG 69 N 0.68 0.00 0.00 2.24 3.08 -1.06 0.13 114.38 119.44 1ryl h ARG 69 Ca 0.06 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 1ryl h ARG 69 Cb 0.91 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 1ryl h ARG 69 CO 0.08 0.13 -0.24 0.00 -1.07 0.00 0.00 179.97 178.87 1ryl h ALA 70 N 1.87 1.23 0.00 0.04 0.00 -0.96 0.19 119.26 121.63 1ryl h ALA 70 Ca -0.00 -0.22 -0.43 0.00 0.00 0.00 0.00 54.91 54.26 1ryl h ALA 70 Cb 0.51 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 1ryl h ALA 70 CO 0.02 0.30 -2.44 0.28 0.00 0.00 0.00 179.25 177.40 1ryl n VAL 71 N -3.71 1.53 0.53 0.00 0.31 -0.73 -4.58 118.33 111.68 1ryl n VAL 71 Ca -0.01 -0.44 0.12 0.00 -0.01 0.00 0.00 64.34 64.00 1ryl n VAL 71 Cb 0.35 -1.73 0.25 0.00 -0.91 0.00 0.00 33.84 31.80 1ryl n VAL 71 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1ryl h LEU 72 N -0.64 0.00 0.00 7.52 3.38 -0.83 -3.46 115.31 121.28 1ryl h LEU 72 Ca -0.64 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.23 1ryl h LEU 72 Cb 1.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.46 1ryl h LEU 72 CO -0.29 0.05 0.00 0.61 0.09 0.00 0.00 178.44 178.90 1ryl n GLY 73 N 1.30 2.54 0.28 0.83 0.00 0.67 -3.81 105.19 106.99 1ryl n GLY 73 Ca 0.04 -1.75 -0.06 0.00 0.00 0.00 0.00 46.02 44.25 1ryl n GLY 73 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ryl h GLU 74 N 0.00 0.80 -4.68 1.61 4.39 -1.50 -3.42 114.58 111.77 1ryl h GLU 74 Ca 0.00 -0.27 -0.63 0.00 0.34 0.00 0.00 59.36 58.80 1ryl h GLU 74 Cb 0.00 -0.06 -0.37 0.00 -0.10 0.00 0.00 28.75 28.22 1ryl h GLU 74 CO 0.00 0.88 -0.81 -1.01 -1.16 0.00 0.00 179.01 176.90 1ryl s HIS 75 N -4.79 2.62 0.14 4.33 3.76 0.62 -4.96 115.29 117.01 1ryl s HIS 75 Ca -0.09 -1.75 -0.30 0.00 -0.15 0.00 0.00 55.06 52.76 1ryl s HIS 75 Cb 0.14 -1.73 -0.08 0.00 1.11 0.00 0.00 32.58 32.03 1ryl s HIS 75 CO 0.83 -0.78 1.27 0.45 -0.85 0.00 0.00 174.74 175.66 1ryl s SER 76 N 1.33 6.97 -0.21 1.40 0.15 -1.26 0.06 113.70 122.14 1ryl s SER 76 Ca -0.02 2.24 -0.02 0.00 0.70 0.00 0.00 55.95 58.85 1ryl s SER 76 Cb -0.17 -2.59 -0.12 0.00 -1.71 0.00 0.00 66.02 61.43 1ryl s SER 76 CO -0.08 -0.51 -0.21 0.18 1.20 0.00 0.00 173.24 173.83 1ryl n LEU 77 N 3.29 2.61 -4.70 3.45 4.77 -1.26 -4.91 117.00 120.24 1ryl n LEU 77 Ca 0.08 -0.01 -0.42 0.00 -0.03 0.00 0.00 56.01 55.63 1ryl n LEU 77 Cb 0.44 -0.70 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 1ryl n LEU 77 CO 0.57 0.74 1.22 -0.36 -1.33 0.00 0.00 177.39 178.24 1ryl s PHE 84 N -2.41 2.72 -0.13 -1.77 0.08 -0.97 -5.07 117.98 110.44 1ryl s PHE 84 Ca -0.28 0.58 -0.04 0.00 0.12 0.00 0.00 56.93 57.31 1ryl s PHE 84 Cb 0.08 -3.83 0.06 0.00 -0.57 0.00 0.00 43.02 38.76 1ryl s PHE 84 CO 0.45 -3.21 0.17 -1.17 -0.10 0.00 0.00 175.22 171.37 1ryl s LEU 85 N 2.22 -0.04 0.01 -0.37 2.96 -1.25 -0.86 118.68 121.35 1ryl s LEU 85 Ca 0.69 0.05 0.02 0.00 -0.22 0.00 0.00 54.13 54.67 1ryl s LEU 85 Cb -0.37 0.25 -0.01 0.00 0.50 0.00 0.00 46.19 46.56 1ryl s LEU 85 CO 0.30 -0.28 -0.07 -0.83 -1.32 0.00 0.00 176.35 174.15 1ryl s GLY 86 N 2.29 0.35 -0.05 7.98 0.00 -0.20 -4.51 107.32 113.18 1ryl s GLY 86 Ca 0.04 -0.37 0.05 0.00 0.00 0.00 0.00 44.72 44.43 1ryl s GLY 86 CO -0.08 -0.35 -0.19 -2.27 0.00 0.00 0.00 173.10 170.21 1ryl s LEU 87 N -0.45 2.45 -0.17 0.66 2.96 0.11 0.00 118.68 124.23 1ryl s LEU 87 Ca -0.00 -0.33 -0.01 0.00 -0.22 0.00 0.00 54.13 53.57 1ryl s LEU 87 Cb -0.04 -1.47 0.04 0.00 0.50 0.00 0.00 46.19 45.22 1ryl s LEU 87 CO -0.00 0.30 -0.05 -0.89 -1.32 0.00 0.00 176.35 174.40 1ryl s THR 88 N -0.49 1.10 0.60 3.68 2.01 -0.10 -0.27 115.64 122.16 1ryl s THR 88 Ca 0.06 -0.67 -0.18 0.00 0.31 0.00 0.00 61.69 61.20 1ryl s THR 88 Cb -0.12 -1.31 -0.03 0.00 0.01 0.00 0.00 72.50 71.05 1ryl s THR 88 CO 0.01 0.08 1.18 0.26 -0.69 0.00 0.00 174.62 175.47 1ryl s TRP 89 N 1.63 2.44 0.25 4.92 0.52 -1.26 -1.25 118.94 126.19 1ryl s TRP 89 Ca -0.00 1.53 -0.09 0.00 0.02 0.00 0.00 56.10 57.56 1ryl s TRP 89 Cb -0.16 -3.42 0.41 0.00 -1.15 0.00 0.00 33.47 29.15 1ryl s TRP 89 CO -0.08 -2.07 1.61 -0.97 0.02 0.00 0.00 176.95 175.47 1ryl h ASN 90 N 0.81 -0.56 0.15 2.95 -0.73 -1.91 0.36 115.58 116.65 1ryl h ASN 90 Ca -0.50 0.22 -0.01 0.00 1.87 0.00 0.00 56.30 57.89 1ryl h ASN 90 Cb 1.29 0.43 -0.00 0.00 0.27 0.00 0.00 38.32 40.31 1ryl h ASN 90 CO 0.55 -0.24 -0.03 0.06 -0.37 0.00 0.00 177.43 177.41 1ryl h GLN 91 N 0.04 0.00 0.00 6.67 3.07 -1.91 -2.03 115.11 120.96 1ryl h GLN 91 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.15 1ryl h GLN 91 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.25 1ryl h GLN 91 CO -0.76 0.03 -0.66 0.93 0.09 0.00 0.00 178.83 178.45 1ryl h GLU 92 N 0.00 0.00 -0.56 0.06 5.08 -0.63 -3.37 114.58 115.16 1ryl h GLU 92 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1ryl h GLU 92 Cb 0.11 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1ryl h GLU 92 CO 0.00 0.00 0.32 -0.07 -1.00 0.00 0.00 179.01 178.27 1ryl h LEU 93 N 0.00 0.67 -0.68 1.33 3.38 -0.94 -2.53 115.31 116.53 1ryl h LEU 93 Ca 0.00 -0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1ryl h LEU 93 Cb 0.90 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 1ryl h LEU 93 CO 0.00 0.53 0.41 0.00 0.09 0.00 0.00 178.44 179.47 1ryl h ALA 94 N 1.59 0.90 -0.37 1.53 0.00 -1.73 0.23 119.26 121.41 1ryl h ALA 94 Ca 0.20 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1ryl h ALA 94 Cb -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1ryl h ALA 94 CO -0.04 0.15 -0.05 0.00 0.00 0.00 0.00 179.25 179.32 1ryl h ALA 95 N 1.31 0.51 -0.23 0.00 0.00 -1.75 -1.44 119.26 117.65 1ryl h ALA 95 Ca 0.29 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ryl h ALA 95 Cb 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ryl h ALA 95 CO -0.13 0.33 0.15 1.15 0.00 0.00 0.00 179.25 180.74 1ryl h THR 96 N 0.50 1.08 -0.52 0.00 2.02 -1.01 -0.54 112.91 114.45 1ryl h THR 96 Ca 0.10 -0.18 0.02 0.00 0.77 0.00 0.00 66.41 67.11 1ryl h THR 96 Cb 0.54 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 1ryl h THR 96 CO 0.03 0.08 0.32 0.40 0.37 0.00 0.00 175.52 176.72 1ryl h ILE 97 N 0.30 1.09 -0.76 3.11 2.04 -0.50 -2.11 117.51 120.68 1ryl h ILE 97 Ca 0.08 -0.22 -0.05 0.00 1.00 0.00 0.00 64.86 65.67 1ryl h ILE 97 Cb 0.00 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.43 1ryl h ILE 97 CO -0.02 0.12 0.27 -0.78 0.00 0.00 0.00 178.15 177.74 1ryl h ASP 98 N 0.65 1.07 -0.53 1.72 3.58 -0.90 0.32 116.42 122.34 1ryl h ASP 98 Ca 0.20 -0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 1ryl h ASP 98 Cb -0.02 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 40.72 1ryl h ASP 98 CO -0.07 0.97 0.30 0.03 -2.88 0.00 0.00 179.24 177.59 1ryl h ARG 99 N 1.12 0.73 -0.12 0.28 3.08 -0.72 -0.55 114.38 118.19 1ryl h ARG 99 Ca 0.25 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 60.17 1ryl h ARG 99 Cb 0.26 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 1ryl h ARG 99 CO -0.01 0.55 -0.15 -0.07 -1.07 0.00 0.00 179.97 179.22 1ryl h LEU 100 N 0.71 0.33 -1.59 3.04 3.38 -1.10 -3.06 115.31 117.02 1ryl h LEU 100 Ca 0.19 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 1ryl h LEU 100 Cb 0.02 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1ryl h LEU 100 CO -0.03 0.77 -0.06 -0.33 0.09 0.00 0.00 178.44 178.88 1ryl h GLU 101 N -0.10 0.19 0.00 1.13 5.08 -0.87 -2.69 114.58 117.32 1ryl h GLU 101 Ca 0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1ryl h GLU 101 Cb 0.69 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.91 1ryl h GLU 101 CO 0.03 0.27 0.00 0.77 -1.00 0.00 0.00 179.01 179.08 1ryl h SER 102 N 0.19 0.00 -3.62 1.42 0.02 -1.06 -3.46 113.55 107.03 1ryl h SER 102 Ca 0.04 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.43 1ryl h SER 102 Cb 0.23 0.00 0.12 0.00 0.14 0.00 0.00 62.40 62.89 1ryl h SER 102 CO 0.01 0.00 0.52 0.18 -1.14 0.00 0.00 176.83 176.40 1ryl n LEU 103 N -2.47 4.22 -4.57 5.07 4.77 -1.02 -4.93 117.00 118.06 1ryl n LEU 103 Ca 0.04 1.10 -0.42 0.00 -0.03 0.00 0.00 56.01 56.70 1ryl n LEU 103 Cb 0.40 -1.52 -0.05 0.00 -2.33 0.00 0.00 43.42 39.92 1ryl n LEU 103 CO 0.29 -0.59 0.60 -0.62 -1.33 0.00 0.00 177.39 175.74 1ryl s ASP 104 N -0.54 6.52 0.42 -1.43 -1.08 -1.26 -4.94 116.67 114.37 1ryl s ASP 104 Ca 0.61 0.24 0.08 0.00 -0.52 0.00 0.00 52.55 52.97 1ryl s ASP 104 Cb -0.50 -2.40 0.91 0.00 -1.46 0.00 0.00 42.92 39.47 1ryl s ASP 104 CO 0.58 -0.81 2.07 0.03 0.52 0.00 0.00 175.17 177.55 1ryl h ARG 105 N 8.65 0.48 -0.14 4.34 2.47 -1.97 -1.74 114.38 126.47 1ryl h ARG 105 Ca -0.25 -0.03 -0.14 0.00 -1.26 0.00 0.00 59.98 58.31 1ryl h ARG 105 Cb 1.09 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 29.29 1ryl h ARG 105 CO 0.94 0.32 -0.51 -0.91 0.56 0.00 0.00 179.97 180.37 1ryl h ASN 106 N 0.49 0.42 -0.15 7.04 2.35 -2.00 -2.42 115.58 121.32 1ryl h ASN 106 Ca 0.14 -0.21 -0.15 0.00 -0.55 0.00 0.00 56.30 55.52 1ryl h ASN 106 Cb -0.03 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 1ryl h ASN 106 CO -0.03 0.86 -0.46 -0.08 -1.65 0.00 0.00 177.43 176.07 1ryl h GLU 107 N 0.31 0.71 -0.63 0.81 4.81 -1.76 -1.80 114.58 117.03 1ryl h GLU 107 Ca 0.01 -0.40 -0.07 0.00 -0.13 0.00 0.00 59.36 58.77 1ryl h GLU 107 Cb 1.00 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 1ryl h GLU 107 CO 0.09 1.02 0.10 -0.07 -0.73 0.00 0.00 179.01 179.41 1ryl h LEU 108 N 0.57 1.00 0.12 1.64 3.38 -1.28 -2.10 115.31 118.64 1ryl h LEU 108 Ca 0.03 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1ryl h LEU 108 Cb 1.01 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1ryl h LEU 108 CO 0.10 1.01 -0.06 -0.09 0.09 0.00 0.00 178.44 179.49 1ryl h ARG 109 N 0.95 -0.15 -0.92 1.13 9.65 -1.29 -0.89 114.38 122.86 1ryl h ARG 109 Ca 0.19 0.01 0.11 0.00 -1.10 0.00 0.00 59.98 59.19 1ryl h ARG 109 Cb 0.43 0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 28.98 1ryl h ARG 109 CO 0.01 -0.02 0.59 -0.22 2.80 0.00 0.00 179.97 183.14 1ryl h LYS 110 N -0.25 0.86 0.00 0.20 3.64 -1.24 -0.36 116.57 119.43 1ryl h LYS 110 Ca -0.02 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.22 1ryl h LYS 110 Cb 0.20 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1ryl h LYS 110 CO 0.03 0.57 -0.43 0.37 -2.27 0.00 0.00 179.45 177.72 1ryl h GLN 111 N 0.89 0.00 -6.25 1.90 4.15 -1.08 -3.44 115.11 111.28 1ryl h GLN 111 Ca 0.44 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 59.30 1ryl h GLN 111 Cb 0.48 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.14 1ryl h GLN 111 CO -0.20 0.43 0.84 0.12 -1.93 0.00 0.00 178.83 178.09 1ryl s PHE 112 N -3.51 2.88 -0.05 3.99 5.36 -0.15 -5.02 117.98 121.49 1ryl s PHE 112 Ca 0.00 0.97 0.00 0.00 -0.96 0.00 0.00 56.93 56.95 1ryl s PHE 112 Cb 0.11 -3.54 0.02 0.00 -0.34 0.00 0.00 43.02 39.27 1ryl s PHE 112 CO 0.70 -1.89 -0.03 0.45 -1.46 0.00 0.00 175.22 172.99 1ryl s SER 113 N 1.92 0.98 0.13 6.13 0.15 -1.26 -4.97 113.70 116.78 1ryl s SER 113 Ca 0.58 -0.10 -0.16 0.00 0.70 0.00 0.00 55.95 56.97 1ryl s SER 113 Cb -0.25 -0.41 -0.00 0.00 -1.71 0.00 0.00 66.02 63.64 1ryl s SER 113 CO 0.20 -0.09 1.68 0.40 1.20 0.00 0.00 173.24 176.63 1ryl h ILE 114 N 6.19 1.20 -0.75 6.45 1.08 -1.94 -0.69 117.51 129.06 1ryl h ILE 114 Ca -0.35 -0.62 -0.01 0.00 -0.39 0.00 0.00 64.86 63.49 1ryl h ILE 114 Cb 1.14 0.85 -0.04 0.00 -3.07 0.00 0.00 36.82 35.71 1ryl h ILE 114 CO 0.43 0.22 0.44 0.07 -0.69 0.00 0.00 178.15 178.63 1ryl h LYS 115 N 0.51 1.02 -0.41 2.37 2.10 -1.96 0.44 116.57 120.64 1ryl h LYS 115 Ca 0.13 -0.10 -0.07 0.00 -2.00 0.00 0.00 60.65 58.61 1ryl h LYS 115 Cb 0.20 -0.21 -0.02 0.00 -0.90 0.00 0.00 32.23 31.30 1ryl h LYS 115 CO -0.01 0.73 -0.04 -0.09 -2.00 0.00 0.00 179.45 178.04 1ryl h ARG 116 N 1.02 0.67 -0.42 0.07 2.43 -1.93 -1.37 114.38 114.86 1ryl h ARG 116 Ca 0.27 -0.18 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 1ryl h ARG 116 Cb -0.02 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 1ryl h ARG 116 CO -0.05 0.72 0.05 1.25 -1.51 0.00 0.00 179.97 180.42 1ryl h LEU 117 N 0.63 0.69 -1.36 3.80 6.46 -0.24 0.15 115.31 125.45 1ryl h LEU 117 Ca 0.12 -0.28 -0.06 0.00 -0.12 0.00 0.00 57.88 57.55 1ryl h LEU 117 Cb 0.45 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.19 1ryl h LEU 117 CO 0.02 0.80 -0.20 0.78 -0.62 0.00 0.00 178.44 179.21 1ryl h ASN 118 N 0.56 0.17 0.02 1.25 2.35 -0.54 -2.46 115.58 116.93 1ryl h ASN 118 Ca 0.13 -0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.77 1ryl h ASN 118 Cb 0.41 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.75 1ryl h ASN 118 CO 0.01 0.38 -0.26 -0.33 -1.65 0.00 0.00 177.43 175.59 1ryl h GLU 119 N 0.16 0.14 0.00 0.81 3.07 -0.96 -3.20 114.58 114.60 1ryl h GLU 119 Ca 0.03 -0.18 0.00 0.00 -0.50 0.00 0.00 59.36 58.71 1ryl h GLU 119 Cb 0.46 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 1ryl h GLU 119 CO 0.03 0.97 0.02 -1.33 -1.40 0.00 0.00 179.01 177.31 1ryl n MET 120 N -4.49 0.11 -3.62 2.33 2.81 0.51 -4.85 117.12 109.92 1ryl n MET 120 Ca -0.10 0.60 -0.22 0.00 -1.81 0.00 0.00 57.70 56.16 1ryl n MET 120 Cb 0.53 -1.87 0.04 0.00 -0.71 0.00 0.00 33.22 31.21 1ryl n MET 120 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1ryl n GLU 121 N -2.08 -3.80 -2.16 0.03 1.02 -0.94 -4.85 120.64 107.87 1ryl n GLU 121 Ca -0.01 0.63 -0.41 0.00 -0.02 0.00 0.00 57.16 57.35 1ryl n GLU 121 Cb 0.05 -5.09 -0.03 0.00 -0.02 0.00 0.00 31.44 26.36 1ryl n GLU 121 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1ryl s ILE 122 N -3.57 2.93 0.42 -3.67 -1.09 -1.20 -4.63 121.20 110.39 1ryl s ILE 122 Ca 0.17 0.85 -0.26 0.00 -2.23 0.00 0.00 60.65 59.18 1ryl s ILE 122 Cb -0.04 -3.54 -0.10 0.00 -1.58 0.00 0.00 42.46 37.20 1ryl s ILE 122 CO 0.81 0.17 1.42 0.00 -1.23 0.00 0.00 174.94 176.10 1ryl n TYR 123 N 1.64 2.67 1.57 3.97 9.36 -1.26 0.67 117.16 135.78 1ryl n TYR 123 Ca 0.03 0.46 0.00 0.00 3.32 0.00 0.00 57.90 61.70 1ryl n TYR 123 Cb 0.42 -2.46 0.00 0.00 -0.63 0.00 0.00 39.34 36.67 1ryl n TYR 123 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1ryl n PRO 124 N 0.06 0.94 -0.72 2.98 -0.04 -1.26 -4.31 135.00 132.65 1ryl n PRO 124 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1ryl n PRO 124 Cb 0.40 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.71 1ryl n PRO 124 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ryl n GLY 125 N 0.31 0.88 3.70 0.55 0.00 0.21 -5.03 105.19 105.80 1ryl n GLY 125 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1ryl n GLY 125 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ryl s VAL 126 N -3.45 4.90 0.70 1.61 -7.23 -1.26 -4.93 120.40 110.73 1ryl s VAL 126 Ca 0.00 1.77 -0.14 0.00 -1.81 0.00 0.00 61.98 61.80 1ryl s VAL 126 Cb 0.00 -4.19 0.02 0.00 0.56 0.00 0.00 36.38 32.77 1ryl s VAL 126 CO 0.00 0.12 1.12 0.42 -0.31 0.00 0.00 175.10 176.44 1ryl s THR 127 N 1.48 3.13 0.19 5.32 -4.23 -1.26 -4.99 115.64 115.28 1ryl s THR 127 Ca 0.43 0.49 0.08 0.00 -1.18 0.00 0.00 61.69 61.51 1ryl s THR 127 Cb -0.18 -2.99 -0.04 0.00 1.34 0.00 0.00 72.50 70.62 1ryl s THR 127 CO 0.19 -0.36 -0.15 -0.36 -0.54 0.00 0.00 174.62 173.40 1ryl s PHE 128 N -2.43 1.71 0.24 3.99 0.08 -1.26 -5.13 117.98 115.17 1ryl s PHE 128 Ca 0.66 -0.55 -0.23 0.00 0.12 0.00 0.00 56.93 56.93 1ryl s PHE 128 Cb -0.21 -0.81 -0.09 0.00 -0.57 0.00 0.00 43.02 41.35 1ryl s PHE 128 CO 0.45 0.34 0.80 -1.12 -0.10 0.00 0.00 175.22 175.59 1ryl s SER 129 N -3.11 7.23 0.62 1.36 0.01 -1.26 -4.93 113.70 113.63 1ryl s SER 129 Ca 0.20 1.60 0.36 0.00 1.31 0.00 0.00 55.95 59.42 1ryl s SER 129 Cb -0.02 -2.49 2.08 0.00 0.21 0.00 0.00 66.02 65.80 1ryl s SER 129 CO 0.06 0.05 2.30 -0.33 0.41 0.00 0.00 173.24 175.74 1ryl h GLU 130 N 3.59 0.00 0.00 12.44 3.07 -2.01 -0.99 114.58 130.68 1ryl h GLU 130 Ca -0.47 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.39 1ryl h GLU 130 Cb 1.20 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.11 1ryl h GLU 130 CO 0.65 0.00 -0.00 1.49 -1.40 0.00 0.00 179.01 179.75 1ryl h GLU 131 N 0.00 0.00 -0.65 2.33 4.81 -2.04 -2.45 114.58 116.58 1ryl h GLU 131 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1ryl h GLU 131 Cb 0.02 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1ryl h GLU 131 CO -0.00 0.00 0.00 1.28 -0.73 0.00 0.00 179.01 179.56 1ryl n LEU 132 N -4.26 4.65 -0.05 1.64 4.32 -0.38 -4.56 117.00 118.36 1ryl n LEU 132 Ca -0.03 -2.35 -0.10 0.00 -0.02 0.00 0.00 56.01 53.52 1ryl n LEU 132 Cb 0.09 -0.58 -0.03 0.00 -1.62 0.00 0.00 43.42 41.28 1ryl n LEU 132 CO 0.31 0.74 0.94 -0.08 -1.22 0.00 0.00 177.39 178.08 1ryl h GLU 133 N 3.84 0.24 -0.56 3.23 4.81 -1.56 -0.53 114.58 124.05 1ryl h GLU 133 Ca 0.00 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1ryl h GLU 133 Cb 1.46 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 30.76 1ryl h GLU 133 CO 0.26 0.16 0.20 0.78 -0.73 0.00 0.00 179.01 179.68 1ryl h GLY 134 N 0.24 0.91 1.04 1.92 0.00 -1.84 -1.11 103.07 104.25 1ryl h GLY 134 Ca 0.08 -0.52 -0.08 0.00 0.00 0.00 0.00 47.33 46.81 1ryl h GLY 134 CO -0.04 0.48 0.03 1.46 0.00 0.00 0.00 176.54 178.47 1ryl h GLN 135 N 0.77 0.98 -0.35 4.80 4.20 -1.84 -0.69 115.11 122.98 1ryl h GLN 135 Ca 0.18 -0.30 -0.05 0.00 0.06 0.00 0.00 58.65 58.54 1ryl h GLN 135 Cb 0.24 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1ryl h GLN 135 CO -0.01 0.97 0.03 1.25 -0.67 0.00 0.00 178.83 180.40 1ryl h LEU 136 N 0.87 0.58 -0.21 1.46 5.85 -0.95 -0.11 115.31 122.80 1ryl h LEU 136 Ca 0.16 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 1ryl h LEU 136 Cb 0.51 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1ryl h LEU 136 CO 0.02 0.72 0.13 0.15 -0.34 0.00 0.00 178.44 179.13 1ryl h PHE 137 N 0.43 0.28 -0.99 1.25 3.57 -1.10 -1.11 116.94 119.27 1ryl h PHE 137 Ca 0.10 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.66 1ryl h PHE 137 Cb 0.41 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.99 1ryl h PHE 137 CO 0.03 0.20 0.64 0.00 -2.23 0.00 0.00 178.31 176.95 1ryl h ALA 138 N 1.05 1.34 -0.91 2.41 0.00 -0.96 -0.37 119.26 121.83 1ryl h ALA 138 Ca 0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ryl h ALA 138 Cb 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 1ryl h ALA 138 CO -0.02 0.48 0.55 1.03 0.00 0.00 0.00 179.25 181.30 1ryl h SER 139 N 1.21 1.09 -0.52 0.00 0.87 -0.43 -1.68 113.55 114.08 1ryl h SER 139 Ca 0.41 -0.06 -0.11 0.00 -1.23 0.00 0.00 61.79 60.80 1ryl h SER 139 Cb 0.08 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.75 1ryl h SER 139 CO -0.15 0.83 -0.11 0.40 -0.53 0.00 0.00 176.83 177.27 1ryl h ILE 140 N 1.25 1.27 -0.33 2.23 2.04 -0.01 -2.36 117.51 121.60 1ryl h ILE 140 Ca 0.33 -1.26 -0.05 0.00 1.00 0.00 0.00 64.86 64.88 1ryl h ILE 140 Cb -0.06 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.01 1ryl h ILE 140 CO -0.06 0.44 0.00 0.24 0.00 0.00 0.00 178.15 178.77 1ryl h MET 141 N 0.86 0.50 -0.33 2.37 2.86 -0.67 0.11 114.93 120.63 1ryl h MET 141 Ca 0.13 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 1ryl h MET 141 Cb 0.68 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 1ryl h MET 141 CO 0.05 0.53 0.02 1.25 1.06 0.00 0.00 176.91 179.82 1ryl h LEU 142 N 0.48 0.55 -1.04 1.22 5.85 -1.10 -0.25 115.31 121.03 1ryl h LEU 142 Ca 0.10 -0.29 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 1ryl h LEU 142 Cb 0.31 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1ryl h LEU 142 CO 0.01 0.71 0.27 0.44 -0.34 0.00 0.00 178.44 179.53 1ryl h ASP 143 N 0.38 0.87 -0.51 1.25 3.32 -0.85 -1.35 116.42 119.54 1ryl h ASP 143 Ca 0.10 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1ryl h ASP 143 Cb 0.41 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1ryl h ASP 143 CO 0.01 0.77 0.23 -0.03 -1.72 0.00 0.00 179.24 178.50 1ryl h MET 144 N 0.94 0.75 -0.79 3.56 4.05 -0.39 -0.79 114.93 122.26 1ryl h MET 144 Ca 0.22 -0.12 -0.03 0.00 -0.28 0.00 0.00 59.70 59.49 1ryl h MET 144 Cb 0.17 -0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 30.80 1ryl h MET 144 CO -0.02 0.65 0.37 0.93 0.23 0.00 0.00 176.91 179.07 1ryl h GLU 145 N 0.69 1.14 -0.56 0.39 4.39 -0.58 -0.57 114.58 119.49 1ryl h GLU 145 Ca 0.17 -0.17 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 1ryl h GLU 145 Cb 0.16 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 1ryl h GLU 145 CO -0.02 0.88 -0.01 0.87 -1.16 0.00 0.00 179.01 179.57 1ryl h LYS 146 N 1.13 0.96 -0.43 2.33 1.57 -0.90 -2.09 116.57 119.14 1ryl h LYS 146 Ca 0.27 -0.29 -0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1ryl h LYS 146 Cb 0.12 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1ryl h LYS 146 CO -0.03 0.96 0.05 1.25 -0.57 0.00 0.00 179.45 181.11 1ryl h LEU 147 N 0.88 0.70 -0.43 2.94 5.85 -0.56 -1.44 115.31 123.26 1ryl h LEU 147 Ca 0.16 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1ryl h LEU 147 Cb 0.53 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1ryl h LEU 147 CO 0.03 0.79 0.27 0.40 -0.34 0.00 0.00 178.44 179.59 1ryl h ILE 148 N 0.58 1.08 -0.98 4.05 2.04 -0.97 -0.47 117.51 122.84 1ryl h ILE 148 Ca 0.13 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1ryl h ILE 148 Cb 0.40 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 36.92 1ryl h ILE 148 CO 0.01 0.10 0.63 0.28 0.00 0.00 0.00 178.15 179.17 1ryl h SER 149 N 0.55 1.14 0.08 1.72 0.02 -1.20 0.40 113.55 116.26 1ryl h SER 149 Ca 0.16 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1ryl h SER 149 Cb -0.04 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.22 1ryl h SER 149 CO -0.05 0.84 -0.04 0.00 -1.14 0.00 0.00 176.83 176.45 1ryl h ALA 150 N 1.36 -0.10 -0.83 3.77 0.00 -0.61 -1.57 119.26 121.28 1ryl h ALA 150 Ca 0.36 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.24 1ryl h ALA 150 Cb -0.12 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 1ryl h ALA 150 CO -0.07 -0.53 0.54 1.88 0.00 0.00 0.00 179.25 181.06 1ryl h TYR 151 N -0.15 1.02 -0.47 0.00 0.05 -0.65 -1.14 116.97 115.62 1ryl h TYR 151 Ca -0.01 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.75 1ryl h TYR 151 Cb 0.12 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 37.50 1ryl h TYR 151 CO -0.06 0.61 0.12 0.00 -1.05 0.00 0.00 178.16 177.78 1ryl h ARG 152 N 1.07 0.71 0.03 4.88 3.08 -0.72 -0.45 114.38 122.99 1ryl h ARG 152 Ca 0.32 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 1ryl h ARG 152 Cb -0.06 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.88 1ryl h ARG 152 CO -0.09 0.65 -0.01 -0.09 -1.07 0.00 0.00 179.97 179.35 1ryl h ARG 153 N 0.69 -0.03 -0.40 0.04 2.43 -0.71 -3.00 114.38 113.40 1ryl h ARG 153 Ca 0.16 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.39 1ryl h ARG 153 Cb 0.26 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.77 1ryl h ARG 153 CO -0.00 0.31 0.10 0.52 -1.51 0.00 0.00 179.97 179.39 1ryl h MET 154 N -0.38 0.24 0.15 0.20 2.86 -0.96 -2.49 114.93 114.55 1ryl h MET 154 Ca -0.00 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1ryl h MET 154 Cb 0.36 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 1ryl h MET 154 CO 0.01 0.16 -0.46 1.25 1.06 0.00 0.00 176.91 178.92 1ryl h LEU 155 N 0.24 -1.36 -2.00 1.22 5.85 -1.09 -0.33 115.31 117.86 1ryl h LEU 155 Ca 0.19 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 59.05 1ryl h LEU 155 Cb 0.21 0.50 -0.00 0.00 0.37 0.00 0.00 40.66 41.74 1ryl h LEU 155 CO -0.23 -0.53 -0.03 0.08 -0.34 0.00 0.00 178.44 177.40 1ryl h ARG 156 N -0.72 0.00 -0.01 1.25 0.11 -1.47 -1.83 114.38 111.72 1ryl h ARG 156 Ca 0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.09 1ryl h ARG 156 Cb 0.72 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.80 1ryl h ARG 156 CO -0.24 0.03 -0.17 1.04 0.10 0.00 0.00 179.97 180.72 1ryl n GLN 157 N -3.18 0.88 -1.07 0.08 1.13 -0.88 -4.93 117.38 109.40 1ryl n GLN 157 Ca -0.01 -0.45 -0.02 0.00 -1.94 0.00 0.00 57.00 54.58 1ryl n GLN 157 Cb 0.23 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 29.08 1ryl n GLN 157 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ryl n GLY 158 N 1.30 0.57 4.01 1.08 0.00 -0.69 -5.04 105.19 106.42 1ryl n GLY 158 Ca 0.14 -0.91 -0.18 0.00 0.00 0.00 0.00 46.02 45.07 1ryl n GLY 158 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ryl s ASN 159 N -2.92 5.42 0.22 1.61 0.02 -0.20 -4.75 114.94 114.33 1ryl s ASN 159 Ca 0.00 -0.60 0.10 0.00 -1.02 0.00 0.00 52.86 51.34 1ryl s ASN 159 Cb 0.00 -0.31 -0.04 0.00 0.02 0.00 0.00 41.25 40.92 1ryl s ASN 159 CO 0.00 -0.96 -0.10 -1.00 0.02 0.00 0.00 177.10 175.06 1ryl s HIS 160 N -2.47 2.57 -0.14 2.20 3.76 0.24 -3.85 115.29 117.59 1ryl s HIS 160 Ca 0.57 -0.25 -0.08 0.00 -0.15 0.00 0.00 55.06 55.14 1ryl s HIS 160 Cb -0.08 -1.21 -0.04 0.00 1.11 0.00 0.00 32.58 32.36 1ryl s HIS 160 CO 0.35 0.56 0.15 0.00 -0.85 0.00 0.00 174.74 174.95 1ryl s ALA 161 N -1.96 3.82 -0.20 -1.40 0.00 -0.38 -0.47 121.76 121.17 1ryl s ALA 161 Ca 0.27 -0.63 -0.01 0.00 0.00 0.00 0.00 51.96 51.59 1ryl s ALA 161 Cb -0.08 -2.05 0.05 0.00 0.00 0.00 0.00 23.12 21.05 1ryl s ALA 161 CO 0.16 0.49 -0.03 -1.17 0.00 0.00 0.00 175.76 175.20 1ryl s LEU 162 N -0.64 1.88 -0.17 0.00 2.96 0.44 -0.92 118.68 122.22 1ryl s LEU 162 Ca 0.14 -0.91 -0.25 0.00 -0.22 0.00 0.00 54.13 52.88 1ryl s LEU 162 Cb -0.12 -0.93 -0.02 0.00 0.50 0.00 0.00 46.19 45.62 1ryl s LEU 162 CO 0.03 -0.24 0.81 -0.89 -1.32 0.00 0.00 176.35 174.74 1ryl s THR 163 N 1.60 4.90 -0.19 3.68 2.01 0.10 -0.68 115.64 127.06 1ryl s THR 163 Ca -0.02 1.58 0.01 0.00 0.31 0.00 0.00 61.69 63.56 1ryl s THR 163 Cb -0.17 -4.11 0.03 0.00 0.01 0.00 0.00 72.50 68.26 1ryl s THR 163 CO -0.07 0.03 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.06 1ryl s VAL 164 N 2.14 1.79 -0.22 3.82 1.01 -0.19 -1.03 120.40 127.71 1ryl s VAL 164 Ca 0.37 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.42 1ryl s VAL 164 Cb -0.16 -1.74 0.05 0.00 0.00 0.00 0.00 36.38 34.52 1ryl s VAL 164 CO 0.12 0.33 -0.10 -0.63 0.00 0.00 0.00 175.10 174.81 1ryl s ILE 165 N 1.36 1.83 0.00 2.22 1.01 -0.04 -1.01 121.20 126.57 1ryl s ILE 165 Ca 0.01 -1.25 0.00 0.00 0.00 0.00 0.00 60.65 59.41 1ryl s ILE 165 Cb -0.15 -1.93 0.00 0.00 0.01 0.00 0.00 42.46 40.39 1ryl s ILE 165 CO -0.10 0.08 0.00 0.55 0.00 0.00 0.00 174.94 175.47