#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yal s PRO 2 N 0.00 0.84 0.39 -3.48 0.02 -1.26 -4.95 135.00 126.56 1yal s PRO 2 Ca 0.00 0.31 0.09 0.00 0.02 0.00 0.00 61.00 61.43 1yal s PRO 2 Cb 0.00 -1.80 0.78 0.00 0.02 0.00 0.00 34.50 33.50 1yal s PRO 2 CO 0.00 -2.40 1.92 1.96 -0.33 0.00 0.00 177.00 178.14 1yal h GLN 3 N -1.65 0.25 -3.46 5.54 4.20 -2.03 -3.45 115.11 114.51 1yal h GLN 3 Ca -0.51 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.08 1yal h GLN 3 Cb 1.33 -0.04 -0.13 0.00 0.30 0.00 0.00 27.48 28.94 1yal h GLN 3 CO 0.60 0.38 -0.14 -1.54 -0.67 0.00 0.00 178.83 177.45 1yal s SER 4 N -6.87 -0.16 -0.11 1.46 1.04 -1.26 -4.51 113.70 103.29 1yal s SER 4 Ca -0.06 -0.37 -0.21 0.00 0.48 0.00 0.00 55.95 55.80 1yal s SER 4 Cb 0.15 0.44 0.05 0.00 0.10 0.00 0.00 66.02 66.76 1yal s SER 4 CO 0.73 -0.81 0.52 -0.51 0.98 0.00 0.00 173.24 174.16 1yal s ILE 5 N -3.70 0.01 -0.23 -1.02 2.07 -0.62 -4.96 121.20 112.76 1yal s ILE 5 Ca 0.03 -0.12 -0.04 0.00 -1.41 0.00 0.00 60.65 59.10 1yal s ILE 5 Cb 0.02 -0.79 0.08 0.00 0.13 0.00 0.00 42.46 41.91 1yal s ILE 5 CO -0.11 -0.07 0.13 -0.62 -1.91 0.00 0.00 174.94 172.36 1yal s ASP 6 N -0.54 2.73 0.58 4.50 -1.08 -1.26 -0.88 116.67 120.72 1yal s ASP 6 Ca -0.07 -0.87 0.36 0.00 -0.52 0.00 0.00 52.55 51.45 1yal s ASP 6 Cb -0.03 -0.20 1.69 0.00 -1.46 0.00 0.00 42.92 42.91 1yal s ASP 6 CO 0.04 -0.39 2.11 -0.50 0.52 0.00 0.00 175.17 176.96 1yal h TRP 7 N 8.40 0.00 -0.53 -5.34 4.06 -1.43 -2.16 115.95 118.95 1yal h TRP 7 Ca -0.17 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.70 1yal h TRP 7 Cb 1.09 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.23 1yal h TRP 7 CO 0.21 0.03 0.04 0.00 -3.56 0.00 0.00 178.44 175.16 1yal h ARG 8 N 0.00 0.91 0.00 0.49 3.08 -1.92 -1.31 114.38 115.64 1yal h ARG 8 Ca -0.00 -0.27 -0.03 0.00 0.07 0.00 0.00 59.98 59.75 1yal h ARG 8 Cb 0.34 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 1yal h ARG 8 CO 0.00 0.91 -0.14 0.00 -1.07 0.00 0.00 179.97 179.68 1yal h ALA 9 N 0.96 1.04 -0.51 0.04 0.00 -1.78 -2.23 119.26 116.78 1yal h ALA 9 Ca 0.16 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1yal h ALA 9 Cb 0.48 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1yal h ALA 9 CO 0.02 0.17 0.00 1.63 0.00 0.00 0.00 179.25 181.07 1yal n LYS 10 N -3.31 2.33 -1.45 0.00 5.02 -0.87 -4.94 118.16 114.93 1yal n LYS 10 Ca 0.00 -1.89 -0.12 0.00 -2.02 0.00 0.00 58.31 54.28 1yal n LYS 10 Cb 0.37 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 33.88 1yal n LYS 10 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1yal n GLY 11 N 1.25 1.11 1.20 0.72 0.00 -0.84 -4.91 105.19 103.72 1yal n GLY 11 Ca 0.17 -0.48 0.11 0.00 0.00 0.00 0.00 46.02 45.83 1yal n GLY 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yal n ALA 12 N 0.87 2.37 -3.65 4.61 0.00 -0.55 -4.78 120.51 119.37 1yal n ALA 12 Ca -0.12 -1.19 -0.27 0.00 0.00 0.00 0.00 53.44 51.86 1yal n ALA 12 Cb 0.41 -0.84 -0.17 0.00 0.00 0.00 0.00 19.45 18.85 1yal n ALA 12 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1yal s VAL 13 N -1.13 1.27 0.76 0.00 1.01 -1.25 -3.77 120.40 117.29 1yal s VAL 13 Ca 0.43 -0.51 -0.12 0.00 0.00 0.00 0.00 61.98 61.78 1yal s VAL 13 Cb 0.23 -1.18 0.05 0.00 0.00 0.00 0.00 36.38 35.48 1yal s VAL 13 CO 0.31 0.39 1.13 0.42 0.00 0.00 0.00 175.10 177.35 1yal s THR 14 N 1.04 2.79 0.75 3.92 -4.23 -1.26 -4.93 115.64 113.71 1yal s THR 14 Ca -0.07 0.26 -0.15 0.00 -1.18 0.00 0.00 61.69 60.55 1yal s THR 14 Cb -0.15 -3.23 0.03 0.00 1.34 0.00 0.00 72.50 70.49 1yal s THR 14 CO -0.01 -0.33 1.04 -2.65 -0.54 0.00 0.00 174.62 172.13 1yal n PRO 15 N -3.19 0.45 -1.78 3.99 -0.02 -1.26 -4.93 135.00 128.26 1yal n PRO 15 Ca 0.07 0.22 -0.41 0.00 -2.02 0.00 0.00 63.50 61.35 1yal n PRO 15 Cb 0.59 -2.30 -0.02 0.00 -0.02 0.00 0.00 33.50 31.76 1yal n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1yal s VAL 16 N -1.88 2.06 0.49 -1.45 1.01 -1.26 -5.01 120.40 114.37 1yal s VAL 16 Ca 0.74 0.05 0.05 0.00 0.00 0.00 0.00 61.98 62.82 1yal s VAL 16 Cb -0.33 -3.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.01 1yal s VAL 16 CO 0.50 0.01 0.22 -0.54 0.00 0.00 0.00 175.10 175.28 1yal s LYS 17 N -0.51 2.23 -0.10 2.72 1.02 -1.26 -4.71 119.74 119.13 1yal s LYS 17 Ca 0.63 -2.08 -0.01 0.00 0.02 0.00 0.00 55.97 54.53 1yal s LYS 17 Cb -0.48 -1.89 0.03 0.00 -0.52 0.00 0.00 37.83 34.97 1yal s LYS 17 CO 0.48 -0.39 -0.01 1.21 -0.92 0.00 0.00 175.35 175.73 1yal s ASN 18 N -4.04 1.92 0.10 2.83 3.04 -1.26 -1.11 114.94 116.42 1yal s ASN 18 Ca 0.28 -0.25 0.18 0.00 0.04 0.00 0.00 52.86 53.11 1yal s ASN 18 Cb 0.01 -0.54 0.77 0.00 -1.54 0.00 0.00 41.25 39.95 1yal s ASN 18 CO 0.16 -0.20 1.57 0.00 -3.04 0.00 0.00 177.10 175.59 1yal n GLN 19 N 5.09 0.08 0.00 0.43 10.64 0.25 -4.91 117.38 128.96 1yal n GLN 19 Ca -0.08 0.31 0.00 0.00 -1.83 0.00 0.00 57.00 55.40 1yal n GLN 19 Cb 0.49 -1.65 0.00 0.00 -0.86 0.00 0.00 30.24 28.23 1yal n GLN 19 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1yal n GLY 20 N 0.03 0.55 2.57 2.61 0.00 -1.26 -3.35 105.19 106.35 1yal n GLY 20 Ca 0.03 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 1yal n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yal n ALA 21 N 4.27 6.46 -3.65 4.61 0.00 -1.26 -4.83 120.51 126.11 1yal n ALA 21 Ca 0.00 -4.18 -0.12 0.00 0.00 0.00 0.00 53.44 49.14 1yal n ALA 21 Cb 0.00 -2.76 -0.12 0.00 0.00 0.00 0.00 19.45 16.57 1yal n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yal n GLY 23 N 4.08 4.33 3.23 0.00 0.00 0.61 -4.89 105.19 112.55 1yal n GLY 23 Ca -0.23 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 1yal n GLY 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1yal s SER 24 N 2.29 5.87 0.00 1.61 1.04 -1.26 -2.23 113.70 121.02 1yal s SER 24 Ca 0.64 -2.14 0.00 0.00 0.48 0.00 0.00 55.95 54.93 1yal s SER 24 Cb 0.17 -2.05 0.00 0.00 0.10 0.00 0.00 66.02 64.24 1yal s SER 24 CO -0.07 -0.66 0.00 -2.67 0.98 0.00 0.00 173.24 170.83 1yal n TRP 26 N 4.63 0.00 -0.07 5.02 4.27 -1.26 -1.69 117.44 128.34 1yal n TRP 26 Ca -0.03 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.45 1yal n TRP 26 Cb 0.41 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.30 1yal n TRP 26 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1yal h ALA 27 N 0.00 0.28 -0.68 -1.67 0.00 -1.92 -2.33 119.26 112.94 1yal h ALA 27 Ca 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.61 1yal h ALA 27 Cb 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1yal h ALA 27 CO 0.00 0.15 0.45 0.74 0.00 0.00 0.00 179.25 180.59 1yal h PHE 28 N 0.12 0.84 -0.22 0.00 -1.00 -1.68 -0.05 116.94 114.94 1yal h PHE 28 Ca 0.04 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.81 1yal h PHE 28 Cb 0.65 -0.28 -0.01 0.00 3.61 0.00 0.00 35.95 39.92 1yal h PHE 28 CO 0.07 0.52 0.04 0.66 -1.61 0.00 0.00 178.31 177.99 1yal h SER 29 N 0.90 0.35 -0.08 2.17 4.64 -1.82 -0.99 113.55 118.72 1yal h SER 29 Ca 0.26 -0.25 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1yal h SER 29 Cb -0.07 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 61.92 1yal h SER 29 CO -0.07 0.50 0.04 0.74 -0.87 0.00 0.00 176.83 177.18 1yal h THR 30 N 0.17 1.08 -0.54 2.95 2.02 -1.24 -2.58 112.91 114.77 1yal h THR 30 Ca 0.07 -0.22 0.05 0.00 0.77 0.00 0.00 66.41 67.08 1yal h THR 30 Cb 0.30 1.09 -0.05 0.00 -1.74 0.00 0.00 68.15 67.75 1yal h THR 30 CO 0.00 0.07 0.27 0.40 0.37 0.00 0.00 175.52 176.63 1yal h ILE 31 N 0.04 0.93 -0.97 3.11 1.08 -0.91 -2.04 117.51 118.75 1yal h ILE 31 Ca 0.03 -0.18 0.05 0.00 -0.39 0.00 0.00 64.86 64.37 1yal h ILE 31 Cb 0.07 0.38 -0.06 0.00 -3.07 0.00 0.00 36.82 34.14 1yal h ILE 31 CO -0.00 0.09 0.63 0.00 -0.69 0.00 0.00 178.15 178.18 1yal h ALA 32 N 1.30 1.39 -0.12 1.87 0.00 -0.99 0.13 119.26 122.84 1yal h ALA 32 Ca 0.24 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.00 1yal h ALA 32 Cb 0.17 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1yal h ALA 32 CO -0.18 0.49 -0.44 1.79 0.00 0.00 0.00 179.25 180.92 1yal h THR 33 N 1.19 1.32 -0.20 0.00 1.35 -1.01 -1.52 112.91 114.05 1yal h THR 33 Ca 0.40 -1.60 -0.20 0.00 -0.55 0.00 0.00 66.41 64.45 1yal h THR 33 Cb 0.06 1.71 0.01 0.00 -1.73 0.00 0.00 68.15 68.20 1yal h THR 33 CO -0.13 0.48 -0.67 0.58 -0.25 0.00 0.00 175.52 175.53 1yal h VAL 34 N 0.24 1.28 -0.88 6.82 2.07 -0.66 -0.87 116.25 124.24 1yal h VAL 34 Ca 0.02 -1.87 -0.02 0.00 0.82 0.00 0.00 66.70 65.65 1yal h VAL 34 Cb 0.87 1.87 -0.04 0.00 -1.52 0.00 0.00 31.29 32.47 1yal h VAL 34 CO 0.07 0.60 0.47 -0.33 0.02 0.00 0.00 177.57 178.40 1yal h GLU 35 N 0.56 1.24 0.04 1.57 5.08 -0.69 -0.44 114.58 121.93 1yal h GLU 35 Ca -0.03 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1yal h GLU 35 Cb 1.30 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1yal h GLU 35 CO 0.14 0.92 -0.02 0.78 -1.00 0.00 0.00 179.01 179.83 1yal h GLY 36 N 1.24 -0.05 1.48 -3.84 0.00 -1.11 -2.50 103.07 98.30 1yal h GLY 36 Ca 0.31 0.02 -0.08 0.00 0.00 0.00 0.00 47.33 47.58 1yal h GLY 36 CO -0.05 -0.02 -0.11 1.19 0.00 0.00 0.00 176.54 177.55 1yal h ILE 37 N -0.38 1.24 -0.57 2.60 6.09 -1.00 -1.39 117.51 124.10 1yal h ILE 37 Ca -0.00 -1.08 0.01 0.00 -1.37 0.00 0.00 64.86 62.42 1yal h ILE 37 Cb 0.35 1.09 -0.03 0.00 0.47 0.00 0.00 36.82 38.70 1yal h ILE 37 CO 0.01 0.36 0.37 -1.13 -3.07 0.00 0.00 178.15 174.69 1yal h ASN 38 N 0.57 0.62 -0.33 2.19 -1.24 -1.07 0.27 115.58 116.60 1yal h ASN 38 Ca 0.10 -0.01 -0.04 0.00 0.71 0.00 0.00 56.30 57.06 1yal h ASN 38 Cb 0.53 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.42 1yal h ASN 38 CO 0.03 0.44 0.05 0.50 -1.29 0.00 0.00 177.43 177.16 1yal h LYS 39 N 0.74 0.55 -0.76 6.67 1.63 -1.15 0.15 116.57 124.39 1yal h LYS 39 Ca 0.22 -0.15 -0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1yal h LYS 39 Cb -0.05 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.48 1yal h LYS 39 CO -0.07 0.64 0.46 0.82 -3.45 0.00 0.00 179.45 177.85 1yal h ILE 40 N 0.37 1.21 0.02 2.00 2.04 -0.88 0.30 117.51 122.57 1yal h ILE 40 Ca 0.10 -0.46 -0.10 0.00 1.00 0.00 0.00 64.86 65.40 1yal h ILE 40 Cb 0.36 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 1yal h ILE 40 CO 0.01 0.22 -0.52 0.58 0.00 0.00 0.00 178.15 178.44 1yal h VAL 41 N 1.05 1.47 0.00 1.67 2.07 -0.76 -3.40 116.25 118.34 1yal h VAL 41 Ca 0.27 -2.32 -0.02 0.00 0.82 0.00 0.00 66.70 65.46 1yal h VAL 41 Cb -0.05 2.99 -0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1yal h VAL 41 CO -0.05 0.54 -1.36 0.35 0.02 0.00 0.00 177.57 177.07 1yal n THR 42 N -4.48 0.52 -0.24 2.57 -2.24 0.51 -4.98 114.28 105.94 1yal n THR 42 Ca -0.18 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 1yal n THR 42 Cb 0.59 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 1yal n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yal n GLY 43 N 1.24 1.07 3.59 3.38 0.00 0.11 -5.02 105.19 109.55 1yal n GLY 43 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1yal n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1yal s ASN 44 N -2.97 5.13 -0.42 1.61 0.01 -1.25 -4.96 114.94 112.09 1yal s ASN 44 Ca 0.00 0.01 -0.15 0.00 -0.71 0.00 0.00 52.86 52.01 1yal s ASN 44 Cb 0.00 -1.72 0.03 0.00 0.41 0.00 0.00 41.25 39.97 1yal s ASN 44 CO 0.00 0.24 0.31 -0.22 -1.51 0.00 0.00 177.10 175.92 1yal s LEU 45 N -0.04 5.17 0.04 0.60 2.96 -1.26 -3.22 118.68 122.93 1yal s LEU 45 Ca 0.03 -0.99 0.05 0.00 -0.22 0.00 0.00 54.13 53.01 1yal s LEU 45 Cb -0.13 -2.15 -0.03 0.00 0.50 0.00 0.00 46.19 44.37 1yal s LEU 45 CO 0.02 -0.48 -0.10 -0.76 -1.32 0.00 0.00 176.35 173.71 1yal s LEU 46 N 1.66 3.01 -0.24 -0.68 1.43 -1.26 -5.09 118.68 117.51 1yal s LEU 46 Ca 0.05 -0.27 -0.17 0.00 -1.03 0.00 0.00 54.13 52.70 1yal s LEU 46 Cb -0.20 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 1yal s LEU 46 CO 0.09 0.25 0.48 -1.61 0.23 0.00 0.00 176.35 175.79 1yal s GLU 47 N -1.63 4.10 0.41 1.70 2.02 -1.26 -4.77 118.70 119.27 1yal s GLU 47 Ca 0.18 0.29 0.04 0.00 0.02 0.00 0.00 54.97 55.50 1yal s GLU 47 Cb -0.11 -3.62 0.00 0.00 0.10 0.00 0.00 34.13 30.50 1yal s GLU 47 CO 0.09 -0.26 0.59 -0.51 0.02 0.00 0.00 175.26 175.18 1yal s LEU 48 N 2.02 3.73 -0.40 1.80 1.43 -1.26 -1.36 118.68 124.64 1yal s LEU 48 Ca 0.21 -0.06 -0.22 0.00 -1.03 0.00 0.00 54.13 53.02 1yal s LEU 48 Cb -0.15 -2.87 0.02 0.00 0.03 0.00 0.00 46.19 43.21 1yal s LEU 48 CO 0.09 -0.66 0.74 -0.55 0.23 0.00 0.00 176.35 176.20 1yal s SER 49 N -4.25 6.45 0.17 2.29 0.15 -0.16 -4.08 113.70 114.26 1yal s SER 49 Ca 0.49 0.06 0.00 0.00 0.70 0.00 0.00 55.95 57.20 1yal s SER 49 Cb -0.10 -2.37 0.01 0.00 -1.71 0.00 0.00 66.02 61.86 1yal s SER 49 CO 0.34 -0.78 1.39 -0.33 1.20 0.00 0.00 173.24 175.06 1yal h GLU 50 N 8.72 0.29 -0.75 5.44 3.07 -1.89 -3.18 114.58 126.28 1yal h GLU 50 Ca -0.25 -0.28 0.06 0.00 -0.50 0.00 0.00 59.36 58.38 1yal h GLU 50 Cb 1.09 0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 29.03 1yal h GLU 50 CO 0.91 0.97 0.49 0.37 -1.40 0.00 0.00 179.01 180.36 1yal h GLN 51 N 0.18 0.79 -0.57 2.33 5.75 -1.85 -1.17 115.11 120.57 1yal h GLN 51 Ca -0.05 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.38 1yal h GLN 51 Cb 1.44 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 29.78 1yal h GLN 51 CO 0.13 0.52 0.27 1.49 -2.65 0.00 0.00 178.83 178.60 1yal h GLU 52 N 0.82 0.83 -0.34 1.69 4.81 -1.80 -0.82 114.58 119.76 1yal h GLU 52 Ca 0.32 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 1yal h GLU 52 Cb 0.21 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1yal h GLU 52 CO -0.10 0.68 0.10 -0.07 -0.73 0.00 0.00 179.01 178.88 1yal h LEU 53 N 0.78 0.51 -0.38 1.64 3.38 -1.38 0.46 115.31 120.32 1yal h LEU 53 Ca 0.20 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 58.01 1yal h LEU 53 Cb 0.13 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 1yal h LEU 53 CO -0.02 0.59 0.05 0.58 0.09 0.00 0.00 178.44 179.73 1yal h VAL 54 N 0.40 0.78 0.11 1.22 2.07 -0.94 -0.31 116.25 119.58 1yal h VAL 54 Ca 0.11 -0.06 -0.27 0.00 0.82 0.00 0.00 66.70 67.30 1yal h VAL 54 Cb 0.27 0.60 0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1yal h VAL 54 CO -0.00 0.03 -1.19 0.44 0.02 0.00 0.00 177.57 176.87 1yal h ASP 55 N 0.17 0.59 0.17 0.57 3.32 -1.10 -3.37 116.42 116.78 1yal h ASP 55 Ca 0.18 -0.57 -0.20 0.00 0.02 0.00 0.00 57.03 56.46 1yal h ASP 55 Cb 0.23 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 1yal h ASP 55 CO -0.26 1.41 -2.03 0.00 -1.72 0.00 0.00 179.24 176.64 1yal s ASP 57 N -5.26 5.87 0.04 0.00 2.15 -0.15 -4.82 116.67 114.51 1yal s ASP 57 Ca -0.08 -0.37 0.16 0.00 0.43 0.00 0.00 52.55 52.69 1yal s ASP 57 Cb 0.09 -2.55 0.68 0.00 -0.30 0.00 0.00 42.92 40.83 1yal s ASP 57 CO 0.85 -2.02 1.50 2.29 -0.17 0.00 0.00 175.17 177.63 1yal n LYS 58 N 9.22 0.03 0.03 4.34 2.85 -1.26 -2.02 118.16 131.35 1yal n LYS 58 Ca 0.15 0.28 0.12 0.00 -1.05 0.00 0.00 58.31 57.80 1yal n LYS 58 Cb 0.50 -1.56 0.25 0.00 -0.65 0.00 0.00 35.03 33.57 1yal n LYS 58 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1yal n HIS 59 N -1.61 0.27 -3.27 5.58 8.25 -1.26 -4.89 115.22 118.29 1yal n HIS 59 Ca 0.03 0.08 -0.22 0.00 -0.26 0.00 0.00 57.72 57.36 1yal n HIS 59 Cb 0.18 -0.47 0.05 0.00 1.12 0.00 0.00 29.99 30.86 1yal n HIS 59 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1yal s SER 60 N -3.59 4.93 -0.29 0.41 0.01 -0.86 -4.84 113.70 109.48 1yal s SER 60 Ca 0.09 -0.99 0.08 0.00 1.31 0.00 0.00 55.95 56.44 1yal s SER 60 Cb 0.16 0.42 0.46 0.00 0.21 0.00 0.00 66.02 67.27 1yal s SER 60 CO 0.69 -1.33 1.35 -1.22 0.41 0.00 0.00 173.24 173.14 1yal n TYR 61 N -2.15 1.23 0.00 2.43 4.01 0.10 -4.98 117.16 117.80 1yal n TYR 61 Ca 0.12 -1.80 0.00 0.00 -0.16 0.00 0.00 57.90 56.06 1yal n TYR 61 Cb 0.62 -0.43 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 1yal n TYR 61 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1yal n GLY 62 N -1.02 3.49 0.26 2.72 0.00 -1.24 -0.63 105.19 108.78 1yal n GLY 62 Ca 0.33 0.24 0.11 0.00 0.00 0.00 0.00 46.02 46.69 1yal n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yal n LYS 64 N -0.28 3.20 0.00 0.00 5.02 0.19 -0.28 118.16 126.01 1yal n LYS 64 Ca 0.16 -2.95 0.00 0.00 -2.02 0.00 0.00 58.31 53.50 1yal n LYS 64 Cb 0.20 -1.95 0.00 0.00 -0.02 0.00 0.00 35.03 33.26 1yal n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1yal n GLY 65 N -0.37 2.03 0.00 0.72 0.00 -0.95 -4.82 105.19 101.81 1yal n GLY 65 Ca 0.25 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1yal n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yal n GLY 66 N 0.70 1.05 3.30 -0.02 0.00 -1.26 0.03 105.19 108.98 1yal n GLY 66 Ca 0.00 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 1yal n GLY 66 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1yal s TYR 67 N -3.65 1.74 -0.02 1.61 1.51 -1.26 -4.88 117.35 112.40 1yal s TYR 67 Ca 0.00 -0.46 -0.24 0.00 -1.01 0.00 0.00 57.07 55.36 1yal s TYR 67 Cb 0.00 -0.90 -0.20 0.00 -0.11 0.00 0.00 41.96 40.75 1yal s TYR 67 CO 0.00 0.25 1.20 1.96 -1.11 0.00 0.00 175.55 177.86 1yal h GLN 68 N 3.60 0.16 -0.04 -0.62 4.20 -2.00 -2.96 115.11 117.46 1yal h GLN 68 Ca -0.43 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.17 1yal h GLN 68 Cb 1.20 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.99 1yal h GLN 68 CO 0.47 0.71 0.02 1.79 -0.67 0.00 0.00 178.83 181.15 1yal h THR 69 N -0.37 1.05 -0.16 -0.54 1.35 -1.99 -1.57 112.91 110.68 1yal h THR 69 Ca -0.00 -0.13 -0.11 0.00 -0.55 0.00 0.00 66.41 65.63 1yal h THR 69 Cb 0.71 1.06 -0.01 0.00 -1.73 0.00 0.00 68.15 68.18 1yal h THR 69 CO 0.02 0.04 -0.37 0.71 -0.25 0.00 0.00 175.52 175.68 1yal h THR 70 N 0.01 1.29 -0.07 6.82 1.35 -1.99 0.15 112.91 120.48 1yal h THR 70 Ca 0.01 -1.45 -0.24 0.00 -0.55 0.00 0.00 66.41 64.18 1yal h THR 70 Cb 0.04 1.57 0.01 0.00 -1.73 0.00 0.00 68.15 68.05 1yal h THR 70 CO -0.00 0.44 -0.91 0.77 -0.25 0.00 0.00 175.52 175.57 1yal h SER 71 N 0.29 0.89 -0.44 5.36 4.64 -1.45 -1.10 113.55 121.74 1yal h SER 71 Ca 0.03 -0.65 -0.11 0.00 -0.47 0.00 0.00 61.79 60.59 1yal h SER 71 Cb 0.78 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 1yal h SER 71 CO 0.06 1.45 -0.15 -0.07 -0.87 0.00 0.00 176.83 177.25 1yal h LEU 72 N 0.44 0.94 -0.92 5.97 3.38 -1.18 -2.57 115.31 121.36 1yal h LEU 72 Ca -0.09 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 1yal h LEU 72 Cb 1.55 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 42.02 1yal h LEU 72 CO 0.18 1.08 0.27 -0.61 0.09 0.00 0.00 178.44 179.45 1yal h GLN 73 N 0.82 1.06 -0.51 1.13 5.75 -0.86 -1.87 115.11 120.63 1yal h GLN 73 Ca 0.12 -0.19 0.05 0.00 -0.15 0.00 0.00 58.65 58.49 1yal h GLN 73 Cb 0.70 -0.17 -0.05 0.00 1.07 0.00 0.00 27.48 29.02 1yal h GLN 73 CO 0.05 0.87 0.24 -0.92 -2.65 0.00 0.00 178.83 176.42 1yal h TYR 74 N 1.03 0.45 -0.21 3.99 5.03 -0.82 -0.20 116.97 126.24 1yal h TYR 74 Ca 0.24 0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.45 1yal h TYR 74 Cb 0.21 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.36 1yal h TYR 74 CO 0.02 0.20 -0.36 0.28 -1.32 0.00 0.00 178.16 176.99 1yal h VAL 75 N 0.48 1.29 -0.33 1.81 2.07 -1.12 0.25 116.25 120.70 1yal h VAL 75 Ca 0.23 -1.46 -0.08 0.00 0.82 0.00 0.00 66.70 66.20 1yal h VAL 75 Cb 0.16 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1yal h VAL 75 CO -0.18 0.46 -0.15 0.00 0.02 0.00 0.00 177.57 177.72 1yal h ALA 76 N 1.24 1.13 0.10 1.67 0.00 -0.71 0.17 119.26 122.86 1yal h ALA 76 Ca 0.04 -0.30 -0.24 0.00 0.00 0.00 0.00 54.91 54.41 1yal h ALA 76 Cb 0.81 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1yal h ALA 76 CO 0.07 0.55 -1.23 -0.91 0.00 0.00 0.00 179.25 177.72 1yal h ASN 77 N 0.53 0.33 -0.00 0.00 2.35 -0.83 -3.43 115.58 114.54 1yal h ASN 77 Ca 0.09 -0.84 0.00 0.00 -0.55 0.00 0.00 56.30 55.00 1yal h ASN 77 Cb 0.57 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.83 1yal h ASN 77 CO 0.04 1.54 -0.33 0.59 -1.65 0.00 0.00 177.43 177.62 1yal n ASN 78 N -4.04 0.54 -0.53 5.81 4.13 0.85 -5.10 115.26 116.92 1yal n ASN 78 Ca -0.23 -0.77 0.07 0.00 1.68 0.00 0.00 54.58 55.33 1yal n ASN 78 Cb 0.84 0.88 -0.02 0.00 -1.54 0.00 0.00 39.78 39.94 1yal n ASN 78 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1yal n GLY 79 N 1.10 -1.99 2.94 7.41 0.00 0.60 -4.93 105.19 110.32 1yal n GLY 79 Ca 0.02 -1.37 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 1yal n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yal s VAL 80 N -2.15 0.22 0.73 1.61 0.11 0.14 -4.61 120.40 116.45 1yal s VAL 80 Ca 0.00 -0.31 -0.11 0.00 -2.93 0.00 0.00 61.98 58.63 1yal s VAL 80 Cb 0.00 -0.23 0.03 0.00 -1.53 0.00 0.00 36.38 34.66 1yal s VAL 80 CO 0.00 -0.07 1.10 -1.00 -3.33 0.00 0.00 175.10 171.81 1yal s HIS 81 N -0.38 3.20 0.60 1.54 3.76 -1.26 -0.49 115.29 122.26 1yal s HIS 81 Ca -0.02 0.91 -0.14 0.00 -0.15 0.00 0.00 55.06 55.66 1yal s HIS 81 Cb -0.03 -3.17 -0.04 0.00 1.11 0.00 0.00 32.58 30.45 1yal s HIS 81 CO -0.00 -1.33 1.04 0.95 -0.85 0.00 0.00 174.74 174.54 1yal s THR 82 N -3.39 4.15 0.12 1.30 -4.23 -1.26 -0.99 115.64 111.35 1yal s THR 82 Ca 0.59 0.90 0.21 0.00 -1.18 0.00 0.00 61.69 62.21 1yal s THR 82 Cb -0.11 -3.53 0.18 0.00 1.34 0.00 0.00 72.50 70.38 1yal s THR 82 CO 0.50 -0.71 1.76 0.77 -0.54 0.00 0.00 174.62 176.39 1yal h SER 83 N 0.19 0.00 -0.52 3.99 4.64 -1.36 -0.83 113.55 119.66 1yal h SER 83 Ca -0.46 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 60.90 1yal h SER 83 Cb 1.20 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.25 1yal h SER 83 CO 0.59 0.31 0.28 0.11 -0.87 0.00 0.00 176.83 177.24 1yal h LYS 84 N 0.00 0.53 0.02 4.77 1.79 -1.93 -0.70 116.57 121.05 1yal h LYS 84 Ca -0.00 -0.03 -0.25 0.00 -2.18 0.00 0.00 60.65 58.19 1yal h LYS 84 Cb 0.86 -0.12 0.01 0.00 -1.58 0.00 0.00 32.23 31.40 1yal h LYS 84 CO 0.04 0.35 -1.02 0.28 -1.08 0.00 0.00 179.45 178.02 1yal h VAL 85 N 0.54 1.37 -2.27 0.50 2.07 -1.89 -3.39 116.25 113.19 1yal h VAL 85 Ca 0.22 -2.46 -0.58 0.00 0.82 0.00 0.00 66.70 64.70 1yal h VAL 85 Cb 0.10 2.48 -0.40 0.00 -1.52 0.00 0.00 31.29 31.96 1yal h VAL 85 CO -0.14 0.74 -0.89 0.00 0.02 0.00 0.00 177.57 177.30 1yal n TYR 86 N -3.75 0.89 -1.46 1.57 4.19 -0.34 -4.97 117.16 113.29 1yal n TYR 86 Ca -0.08 -3.73 -0.34 0.00 3.31 0.00 0.00 57.90 57.06 1yal n TYR 86 Cb 0.88 -0.29 0.09 0.00 0.49 0.00 0.00 39.34 40.50 1yal n TYR 86 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 1yal s PRO 87 N -1.23 2.23 0.19 2.98 0.04 -0.29 -4.48 135.00 134.44 1yal s PRO 87 Ca 0.34 1.64 -0.30 0.00 0.04 0.00 0.00 61.00 62.72 1yal s PRO 87 Cb 0.11 -1.86 -0.08 0.00 0.04 0.00 0.00 34.50 32.71 1yal s PRO 87 CO -0.12 -1.74 1.17 -0.47 0.04 0.00 0.00 177.00 175.89 1yal s TYR 88 N -2.14 3.47 0.00 0.56 5.04 -1.26 -4.74 117.35 118.28 1yal s TYR 88 Ca 0.72 1.48 0.00 0.00 -2.44 0.00 0.00 57.07 56.82 1yal s TYR 88 Cb -0.26 -3.39 0.00 0.00 0.35 0.00 0.00 41.96 38.66 1yal s TYR 88 CO 0.45 -1.05 0.39 1.04 -1.34 0.00 0.00 175.55 175.05 1yal n GLN 89 N 2.40 0.43 -3.16 4.97 6.02 -1.26 -5.02 117.38 121.75 1yal n GLN 89 Ca 0.04 -0.39 -0.23 0.00 -0.01 0.00 0.00 57.00 56.40 1yal n GLN 89 Cb 0.45 -0.89 0.03 0.00 1.02 0.00 0.00 30.24 30.85 1yal n GLN 89 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1yal n ALA 90 N -0.17 -1.02 -3.51 -1.58 0.00 -1.26 -4.96 120.51 108.00 1yal n ALA 90 Ca 0.00 0.23 -0.16 0.00 0.00 0.00 0.00 53.44 53.52 1yal n ALA 90 Cb 0.01 -3.66 -0.05 0.00 0.00 0.00 0.00 19.45 15.75 1yal n ALA 90 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1yal s LYS 91 N -5.84 1.01 -0.16 0.00 1.02 -1.26 -4.64 119.74 109.87 1yal s LYS 91 Ca 0.35 0.11 -0.12 0.00 0.02 0.00 0.00 55.97 56.33 1yal s LYS 91 Cb -0.17 0.48 -0.05 0.00 -0.52 0.00 0.00 37.83 37.57 1yal s LYS 91 CO 0.43 -0.34 0.24 -1.14 -0.92 0.00 0.00 175.35 173.63 1yal s GLN 92 N -1.63 4.16 0.00 1.68 0.74 -1.26 -4.89 119.66 118.45 1yal s GLN 92 Ca -0.07 0.01 0.00 0.00 0.05 0.00 0.00 55.36 55.35 1yal s GLN 92 Cb -0.00 -3.40 0.00 0.00 1.10 0.00 0.00 33.01 30.71 1yal s GLN 92 CO 0.05 0.32 0.00 0.66 -0.55 0.00 0.00 175.29 175.76 1yal n TYR 93 N 3.36 0.00 -2.30 1.67 4.01 -1.26 -5.06 117.16 117.57 1yal n TYR 93 Ca -0.14 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.25 1yal n TYR 93 Cb 0.52 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.54 1yal n TYR 93 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1yal s LYS 94 N -1.71 3.53 0.07 -0.72 1.02 -1.26 -4.61 119.74 116.06 1yal s LYS 94 Ca 0.00 1.62 -0.31 0.00 0.02 0.00 0.00 55.97 57.30 1yal s LYS 94 Cb 0.00 -2.13 -0.08 0.00 -0.52 0.00 0.00 37.83 35.10 1yal s LYS 94 CO 0.00 -0.70 1.63 0.00 -0.92 0.00 0.00 175.35 175.35 1yal n ARG 96 N 5.54 1.34 -0.26 0.00 1.74 -1.26 -4.81 116.66 118.94 1yal n ARG 96 Ca 0.16 -2.72 0.05 0.00 -0.77 0.00 0.00 57.85 54.57 1yal n ARG 96 Cb 0.41 -1.52 0.28 0.00 -1.02 0.00 0.00 32.46 30.61 1yal n ARG 96 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yal h ALA 97 N 0.20 1.59 -0.23 7.54 0.00 -1.94 -3.04 119.26 123.38 1yal h ALA 97 Ca -0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1yal h ALA 97 Cb 1.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1yal h ALA 97 CO 0.00 0.28 -0.41 1.79 0.00 0.00 0.00 179.25 180.90 1yal h THR 98 N 0.92 1.30 0.00 0.00 1.35 -2.02 -3.02 112.91 111.44 1yal h THR 98 Ca 0.37 -1.58 0.00 0.00 -0.55 0.00 0.00 66.41 64.64 1yal h THR 98 Cb 0.24 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1yal h THR 98 CO -0.13 0.50 0.00 0.47 -0.25 0.00 0.00 175.52 176.10 1yal n ASP 99 N -4.02 0.00 -4.83 5.36 8.00 -1.15 -4.83 116.55 115.07 1yal n ASP 99 Ca -0.02 -1.15 -0.38 0.00 0.71 0.00 0.00 54.79 53.95 1yal n ASP 99 Cb 0.52 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.56 1yal n ASP 99 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1yal s LYS 100 N -2.00 3.97 0.00 -1.24 3.01 -1.14 -5.11 119.74 117.23 1yal s LYS 100 Ca 0.30 0.47 0.00 0.00 -1.01 0.00 0.00 55.97 55.74 1yal s LYS 100 Cb 0.14 -3.18 0.00 0.00 -1.01 0.00 0.00 37.83 33.78 1yal s LYS 100 CO 0.23 0.65 0.00 -0.35 0.51 0.00 0.00 175.35 176.39 1yal n PRO 101 N 1.62 3.31 -0.98 -1.68 -0.04 -1.26 -5.05 135.00 130.91 1yal n PRO 101 Ca -0.12 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.47 1yal n PRO 101 Cb 0.52 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.94 1yal n PRO 101 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1yal n GLY 102 N 5.00 -2.09 3.85 0.55 0.00 -1.26 -4.84 105.19 106.39 1yal n GLY 102 Ca 0.00 -1.25 -0.31 0.00 0.00 0.00 0.00 46.02 44.46 1yal n GLY 102 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1yal s PRO 103 N -2.39 3.38 -0.30 1.61 0.04 -1.26 -5.00 135.00 131.07 1yal s PRO 103 Ca 0.00 0.85 -0.03 0.00 0.04 0.00 0.00 61.00 61.86 1yal s PRO 103 Cb 0.00 -2.05 0.04 0.00 0.04 0.00 0.00 34.50 32.53 1yal s PRO 103 CO 0.00 -0.75 0.02 0.15 0.04 0.00 0.00 177.00 176.46 1yal s LYS 104 N -5.03 2.60 -0.05 4.56 1.02 -1.26 -4.11 119.74 117.47 1yal s LYS 104 Ca 0.57 -1.16 -0.29 0.00 0.02 0.00 0.00 55.97 55.10 1yal s LYS 104 Cb -0.12 -3.24 -0.02 0.00 -0.52 0.00 0.00 37.83 33.93 1yal s LYS 104 CO 0.52 -0.58 0.96 0.08 -0.92 0.00 0.00 175.35 175.41 1yal s VAL 105 N 1.32 4.86 0.24 3.17 1.01 0.36 -4.65 120.40 126.71 1yal s VAL 105 Ca -0.03 1.98 0.11 0.00 0.00 0.00 0.00 61.98 64.04 1yal s VAL 105 Cb -0.19 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 31.86 1yal s VAL 105 CO -0.00 0.11 -0.17 -0.75 0.00 0.00 0.00 175.10 174.29 1yal s LYS 106 N 1.37 1.77 0.29 2.72 2.20 -1.26 0.25 119.74 127.08 1yal s LYS 106 Ca 0.49 -1.58 0.10 0.00 -0.36 0.00 0.00 55.97 54.63 1yal s LYS 106 Cb -0.20 -1.90 -0.05 0.00 -1.51 0.00 0.00 37.83 34.17 1yal s LYS 106 CO 0.23 0.37 -0.15 0.96 -0.36 0.00 0.00 175.35 176.40 1yal s ILE 107 N -2.12 2.26 0.03 5.43 -4.36 -1.24 -4.95 121.20 116.25 1yal s ILE 107 Ca 0.27 -2.30 -0.13 0.00 -0.26 0.00 0.00 60.65 58.22 1yal s ILE 107 Cb -0.07 -2.39 -0.34 0.00 1.25 0.00 0.00 42.46 40.92 1yal s ILE 107 CO 0.14 -0.35 0.97 0.74 0.24 0.00 0.00 174.94 176.68 1yal h THR 108 N 2.23 1.26 0.00 8.37 2.02 -0.97 -3.39 112.91 122.43 1yal h THR 108 Ca -0.40 -2.74 0.00 0.00 0.77 0.00 0.00 66.41 64.04 1yal h THR 108 Cb 1.25 2.98 0.00 0.00 -1.74 0.00 0.00 68.15 70.64 1yal h THR 108 CO 0.64 0.83 0.00 0.61 0.37 0.00 0.00 175.52 177.97 1yal n GLY 109 N 1.71 -0.93 3.18 2.16 0.00 -1.10 -4.93 105.19 105.28 1yal n GLY 109 Ca -0.17 -0.71 -0.08 0.00 0.00 0.00 0.00 46.02 45.06 1yal n GLY 109 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1yal s TYR 110 N -3.00 0.26 0.19 1.61 -0.85 -1.26 0.05 117.35 114.34 1yal s TYR 110 Ca 0.00 -0.72 0.04 0.00 -0.52 0.00 0.00 57.07 55.87 1yal s TYR 110 Cb 0.00 -0.14 -0.05 0.00 0.38 0.00 0.00 41.96 42.15 1yal s TYR 110 CO 0.00 -0.51 -0.05 0.15 -1.52 0.00 0.00 175.55 173.62 1yal s LYS 111 N -3.88 1.18 -0.13 -3.49 1.02 0.10 -4.93 119.74 109.61 1yal s LYS 111 Ca 0.06 -1.56 -0.05 0.00 0.02 0.00 0.00 55.97 54.45 1yal s LYS 111 Cb 0.06 -0.59 -0.04 0.00 -0.52 0.00 0.00 37.83 36.74 1yal s LYS 111 CO -0.10 -0.02 0.04 0.50 -0.92 0.00 0.00 175.35 174.85 1yal s ARG 112 N -3.81 3.48 0.04 1.68 3.52 -1.26 -1.45 118.95 121.14 1yal s ARG 112 Ca 0.22 -0.34 -0.30 0.00 -0.13 0.00 0.00 55.73 55.18 1yal s ARG 112 Cb 0.04 -3.02 -0.04 0.00 -1.56 0.00 0.00 34.95 30.37 1yal s ARG 112 CO 0.04 0.53 0.96 0.08 -0.81 0.00 0.00 175.30 176.10 1yal s VAL 113 N -0.36 4.75 -0.13 7.11 1.01 0.05 -4.95 120.40 127.88 1yal s VAL 113 Ca 0.08 2.04 -0.36 0.00 0.00 0.00 0.00 61.98 63.75 1yal s VAL 113 Cb -0.12 -4.31 -0.13 0.00 0.00 0.00 0.00 36.38 31.82 1yal s VAL 113 CO 0.02 0.22 1.81 -0.81 0.00 0.00 0.00 175.10 176.33 1yal n PRO 114 N 3.50 1.84 -0.62 2.72 -0.04 -1.26 -4.65 135.00 136.49 1yal n PRO 114 Ca 0.04 0.67 -0.30 0.00 -0.04 0.00 0.00 63.50 63.88 1yal n PRO 114 Cb 0.50 -2.46 0.20 0.00 -0.04 0.00 0.00 33.50 31.71 1yal n PRO 114 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1yal s SER 115 N 3.62 2.10 -0.35 3.54 1.04 -1.26 -4.68 113.70 117.71 1yal s SER 115 Ca 0.93 1.94 -0.26 0.00 0.48 0.00 0.00 55.95 59.04 1yal s SER 115 Cb -0.81 -2.47 0.04 0.00 0.10 0.00 0.00 66.02 62.87 1yal s SER 115 CO 0.55 -3.57 0.49 0.59 0.98 0.00 0.00 173.24 172.28 1yal n ASN 116 N -4.53 -6.25 -0.01 7.02 5.03 0.09 -5.00 115.26 111.61 1yal n ASN 116 Ca 0.08 0.15 -0.02 0.00 0.87 0.00 0.00 54.58 55.67 1yal n ASN 116 Cb 0.53 -2.46 -0.01 0.00 -1.02 0.00 0.00 39.78 36.82 1yal n ASN 116 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1yal n GLU 118 N 0.13 0.06 -0.21 3.52 2.13 -0.34 -2.14 120.64 123.78 1yal n GLU 118 Ca -0.03 0.02 -0.05 0.00 0.66 0.00 0.00 57.16 57.76 1yal n GLU 118 Cb 0.57 -0.82 0.05 0.00 0.27 0.00 0.00 31.44 31.52 1yal n GLU 118 CO 0.00 0.00 0.00 1.15 -0.41 0.00 0.00 177.13 177.87 1yal h THR 119 N -0.05 1.11 -0.50 6.31 2.02 -1.94 -0.16 112.91 119.70 1yal h THR 119 Ca -0.06 -0.27 -0.09 0.00 0.77 0.00 0.00 66.41 66.76 1yal h THR 119 Cb 1.07 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1yal h THR 119 CO -0.02 0.14 -0.03 0.28 0.37 0.00 0.00 175.52 176.26 1yal h SER 120 N 0.79 0.90 0.05 4.18 0.02 -1.97 -1.16 113.55 116.36 1yal h SER 120 Ca 0.24 -0.32 0.01 0.00 -0.84 0.00 0.00 61.79 60.88 1yal h SER 120 Cb -0.03 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 1yal h SER 120 CO -0.08 1.00 -0.08 0.15 -1.14 0.00 0.00 176.83 176.68 1yal h PHE 121 N 0.77 -0.21 -0.54 3.45 3.57 -1.74 -1.58 116.94 120.66 1yal h PHE 121 Ca 0.14 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.55 1yal h PHE 121 Cb 0.56 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1yal h PHE 121 CO 0.04 -0.13 -0.03 -0.07 -2.23 0.00 0.00 178.31 175.89 1yal h LEU 122 N -0.17 0.92 -1.14 0.59 3.38 -0.97 -0.18 115.31 117.74 1yal h LEU 122 Ca 0.02 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1yal h LEU 122 Cb 0.18 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1yal h LEU 122 CO -0.05 0.99 0.55 1.23 0.09 0.00 0.00 178.44 181.25 1yal h GLY 123 N 0.99 1.21 1.27 0.83 0.00 -0.92 -0.18 103.07 106.27 1yal h GLY 123 Ca 0.15 -0.46 -0.33 0.00 0.00 0.00 0.00 47.33 46.69 1yal h GLY 123 CO 0.03 0.45 -1.43 0.00 0.00 0.00 0.00 176.54 175.60 1yal h ALA 124 N 1.45 -0.12 0.00 3.60 0.00 -1.07 -3.27 119.26 119.84 1yal h ALA 124 Ca 0.31 -0.84 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 1yal h ALA 124 Cb -0.11 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1yal h ALA 124 CO -0.06 0.70 -0.20 1.25 0.00 0.00 0.00 179.25 180.94 1yal h LEU 125 N 0.17 0.00 -1.45 0.00 5.85 -0.82 -1.11 115.31 117.95 1yal h LEU 125 Ca -0.24 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.48 1yal h LEU 125 Cb 2.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.14 1yal h LEU 125 CO 0.27 0.20 0.00 0.00 -0.34 0.00 0.00 178.44 178.57 1yal h ALA 126 N 1.80 1.00 0.00 1.25 0.00 -1.08 -3.10 119.26 119.13 1yal h ALA 126 Ca -0.00 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.56 1yal h ALA 126 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1yal h ALA 126 CO 0.03 0.00 -2.21 0.09 0.00 0.00 0.00 179.25 177.15 1yal n ASN 127 N -2.73 0.37 -3.60 0.00 3.02 -0.44 -5.03 115.26 106.85 1yal n ASN 127 Ca 0.00 0.10 -0.03 0.00 -0.03 0.00 0.00 54.58 54.62 1yal n ASN 127 Cb 0.22 0.62 -0.02 0.00 -0.61 0.00 0.00 39.78 39.98 1yal n ASN 127 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yal s GLN 128 N -2.52 0.32 0.66 3.52 0.00 -1.06 -5.07 119.66 115.50 1yal s GLN 128 Ca -0.10 -0.13 -0.17 0.00 -0.00 0.00 0.00 55.36 54.95 1yal s GLN 128 Cb 0.07 0.14 -0.00 0.00 0.00 0.00 0.00 33.01 33.21 1yal s GLN 128 CO 0.82 -0.14 1.26 -2.14 0.00 0.00 0.00 175.29 175.08 1yal s PRO 129 N -2.42 2.51 0.11 9.60 0.02 -1.26 -4.17 135.00 139.39 1yal s PRO 129 Ca 0.10 1.94 0.10 0.00 0.02 0.00 0.00 61.00 63.16 1yal s PRO 129 Cb -0.00 -1.86 -0.04 0.00 0.02 0.00 0.00 34.50 32.62 1yal s PRO 129 CO -0.04 -1.60 -0.22 -0.51 -0.33 0.00 0.00 177.00 174.30 1yal s LEU 130 N -4.52 2.50 -0.24 -5.54 1.43 -0.70 -4.81 118.68 106.80 1yal s LEU 130 Ca 0.80 -0.63 -0.19 0.00 -1.03 0.00 0.00 54.13 53.07 1yal s LEU 130 Cb -0.34 -1.39 -0.02 0.00 0.03 0.00 0.00 46.19 44.46 1yal s LEU 130 CO 0.40 0.19 0.57 -0.55 0.23 0.00 0.00 176.35 177.19 1yal s SER 131 N -1.98 6.55 0.14 2.29 0.15 -0.08 -0.59 113.70 120.17 1yal s SER 131 Ca 0.16 0.67 0.05 0.00 0.70 0.00 0.00 55.95 57.52 1yal s SER 131 Cb -0.10 -2.31 -0.04 0.00 -1.71 0.00 0.00 66.02 61.85 1yal s SER 131 CO 0.07 -0.29 -0.11 0.68 1.20 0.00 0.00 173.24 174.79 1yal s VAL 132 N 2.18 1.19 0.06 4.45 -7.23 -0.48 -1.24 120.40 119.32 1yal s VAL 132 Ca 0.25 -1.93 0.05 0.00 -1.81 0.00 0.00 61.98 58.54 1yal s VAL 132 Cb -0.16 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 35.04 1yal s VAL 132 CO 0.09 -0.64 -0.07 -0.76 -0.31 0.00 0.00 175.10 173.41 1yal s LEU 133 N -2.90 3.16 0.10 1.32 1.43 -1.16 -1.27 118.68 119.36 1yal s LEU 133 Ca 0.13 -0.25 -0.07 0.00 -1.03 0.00 0.00 54.13 52.91 1yal s LEU 133 Cb -0.00 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 1yal s LEU 133 CO 0.01 0.22 0.18 0.68 0.23 0.00 0.00 176.35 177.67 1yal s VAL 134 N -1.13 0.13 -0.49 -1.59 -7.23 -0.20 -3.90 120.40 105.99 1yal s VAL 134 Ca 0.20 -1.35 -0.21 0.00 -1.81 0.00 0.00 61.98 58.81 1yal s VAL 134 Cb -0.11 -1.52 0.04 0.00 0.56 0.00 0.00 36.38 35.34 1yal s VAL 134 CO 0.12 -0.60 0.71 -0.70 -0.31 0.00 0.00 175.10 174.32 1yal s GLU 135 N -3.91 3.24 0.00 4.82 2.12 -0.20 -1.71 118.70 123.06 1yal s GLU 135 Ca 0.09 -0.53 0.10 0.00 0.36 0.00 0.00 54.97 54.99 1yal s GLU 135 Cb 0.05 -4.03 0.10 0.00 0.26 0.00 0.00 34.13 30.51 1yal s GLU 135 CO -0.07 -1.21 0.86 0.00 -0.54 0.00 0.00 175.26 174.30 1yal n ALA 136 N 6.53 2.45 0.25 6.30 0.00 -1.26 -4.69 120.51 130.08 1yal n ALA 136 Ca -0.02 -0.64 0.14 0.00 0.00 0.00 0.00 53.44 52.92 1yal n ALA 136 Cb 0.47 -0.34 0.57 0.00 0.00 0.00 0.00 19.45 20.15 1yal n ALA 136 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1yal h GLY 137 N 1.92 0.00 -2.17 0.00 0.00 -1.91 -3.36 103.07 97.55 1yal h GLY 137 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 1yal h GLY 137 CO 0.00 0.00 0.46 -0.32 0.00 0.00 0.00 176.54 176.68 1yal s GLY 138 N -4.22 2.71 0.21 4.60 0.00 -1.26 -4.87 107.32 104.48 1yal s GLY 138 Ca 0.01 0.94 -0.11 0.00 0.00 0.00 0.00 44.72 45.56 1yal s GLY 138 CO 0.59 1.33 1.68 1.70 0.00 0.00 0.00 173.10 178.40 1yal h LYS 139 N 1.13 0.14 -0.73 2.90 1.63 -1.91 -2.32 116.57 117.41 1yal h LYS 139 Ca -0.50 -0.01 0.08 0.00 -0.85 0.00 0.00 60.65 59.37 1yal h LYS 139 Cb 1.28 -0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 32.81 1yal h LYS 139 CO 0.56 0.09 0.39 -1.35 -3.45 0.00 0.00 179.45 175.70 1yal h PRO 140 N 0.14 0.67 -0.33 1.90 0.11 -1.93 -1.54 132.00 131.02 1yal h PRO 140 Ca 0.30 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.33 1yal h PRO 140 Cb 0.47 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 1yal h PRO 140 CO -0.47 0.44 0.03 0.35 -0.21 0.00 0.00 178.00 178.14 1yal h PHE 141 N 0.69 0.60 -0.90 0.65 3.04 -1.71 -1.88 116.94 117.43 1yal h PHE 141 Ca 0.34 -0.09 0.03 0.00 3.98 0.00 0.00 57.97 62.23 1yal h PHE 141 Cb 0.30 -0.16 -0.05 0.00 2.56 0.00 0.00 35.95 38.59 1yal h PHE 141 CO -0.08 0.65 0.59 1.96 -2.02 0.00 0.00 178.31 179.40 1yal h GLN 142 N 0.38 1.12 -0.60 1.11 1.08 -1.05 -2.66 115.11 114.48 1yal h GLN 142 Ca 0.10 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 1yal h GLN 142 Cb 0.39 -0.25 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 1yal h GLN 142 CO 0.01 0.74 0.00 1.28 -0.95 0.00 0.00 178.83 179.91 1yal n LEU 143 N -4.51 3.30 -4.70 1.46 4.77 -0.61 -4.96 117.00 111.75 1yal n LEU 143 Ca 0.11 -1.65 -0.43 0.00 -0.03 0.00 0.00 56.01 54.01 1yal n LEU 143 Cb 0.08 -0.41 -0.02 0.00 -2.33 0.00 0.00 43.42 40.74 1yal n LEU 143 CO 0.34 0.79 1.05 0.00 -1.33 0.00 0.00 177.39 178.24 1yal n TYR 144 N 1.21 2.40 -0.01 -1.77 9.36 -0.71 -4.91 117.16 122.73 1yal n TYR 144 Ca 0.20 0.42 -0.02 0.00 3.32 0.00 0.00 57.90 61.82 1yal n TYR 144 Cb 0.53 -2.48 -0.01 0.00 -0.63 0.00 0.00 39.34 36.75 1yal n TYR 144 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1yal n LYS 145 N 1.60 0.05 -3.76 2.98 4.01 -1.26 -2.85 118.16 118.94 1yal n LYS 145 Ca 0.09 0.02 -0.02 0.00 -0.51 0.00 0.00 58.31 57.88 1yal n LYS 145 Cb 0.34 -0.90 -0.01 0.00 -0.51 0.00 0.00 35.03 33.96 1yal n LYS 145 CO 0.00 0.00 0.00 -1.54 -1.11 0.00 0.00 177.40 174.75 1yal s SER 146 N -4.53 -0.12 0.00 4.39 1.04 -1.26 -3.39 113.70 109.82 1yal s SER 146 Ca -0.03 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.00 1yal s SER 146 Cb 0.01 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1yal s SER 146 CO 0.05 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.08 1yal n GLY 147 N -0.52 -0.51 3.57 7.32 0.00 -1.26 -4.79 105.19 108.99 1yal n GLY 147 Ca -0.06 -1.79 -0.43 0.00 0.00 0.00 0.00 46.02 43.75 1yal n GLY 147 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yal s VAL 148 N -1.14 4.18 0.09 1.61 1.01 -1.26 -4.16 120.40 120.73 1yal s VAL 148 Ca 0.00 0.75 -0.30 0.00 0.00 0.00 0.00 61.98 62.43 1yal s VAL 148 Cb 0.00 -4.64 -0.06 0.00 0.00 0.00 0.00 36.38 31.68 1yal s VAL 148 CO 0.00 -1.20 1.19 0.12 0.00 0.00 0.00 175.10 175.21 1yal s PHE 149 N 4.52 3.45 -0.06 5.22 5.36 0.42 -4.75 117.98 132.15 1yal s PHE 149 Ca 0.39 1.35 0.15 0.00 -0.96 0.00 0.00 56.93 57.87 1yal s PHE 149 Cb -0.09 -3.41 0.30 0.00 -0.34 0.00 0.00 43.02 39.48 1yal s PHE 149 CO 0.24 -1.21 1.13 -0.40 -1.46 0.00 0.00 175.22 173.53 1yal n ASP 150 N 3.53 1.03 0.00 6.13 5.75 -1.26 -0.18 116.55 131.55 1yal n ASP 150 Ca 0.08 -2.49 0.00 0.00 -0.01 0.00 0.00 54.79 52.36 1yal n ASP 150 Cb 0.46 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.22 1yal n ASP 150 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1yal n GLY 151 N -0.17 -1.25 3.78 6.12 0.00 -1.26 -4.76 105.19 107.64 1yal n GLY 151 Ca 0.08 -2.09 -0.37 0.00 0.00 0.00 0.00 46.02 43.63 1yal n GLY 151 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1yal s PRO 152 N 0.00 4.21 -0.05 1.61 0.04 -1.26 -4.97 135.00 134.58 1yal s PRO 152 Ca 0.00 1.61 -0.30 0.00 0.04 0.00 0.00 61.00 62.35 1yal s PRO 152 Cb 0.00 -2.66 0.08 0.00 0.04 0.00 0.00 34.50 31.97 1yal s PRO 152 CO 0.00 -0.12 0.75 0.00 0.04 0.00 0.00 177.00 177.67 1yal n GLY 154 N 0.66 1.80 0.19 0.00 0.00 -1.26 -4.60 105.19 101.98 1yal n GLY 154 Ca -0.16 -1.92 0.09 0.00 0.00 0.00 0.00 46.02 44.03 1yal n GLY 154 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1yal n THR 155 N 0.00 1.94 -2.40 2.61 -2.24 -1.26 -3.91 114.28 109.02 1yal n THR 155 Ca 0.00 -2.46 -0.43 0.00 -2.27 0.00 0.00 64.05 58.89 1yal n THR 155 Cb 0.00 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 1yal n THR 155 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1yal n LYS 156 N -1.36 3.13 -1.62 -0.78 4.81 -1.26 -4.81 118.16 116.27 1yal n LYS 156 Ca 0.16 -3.14 -0.55 0.00 -0.87 0.00 0.00 58.31 53.92 1yal n LYS 156 Cb 0.65 -3.45 -0.07 0.00 0.02 0.00 0.00 35.03 32.18 1yal n LYS 156 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1yal n LEU 157 N 7.88 1.61 0.00 3.14 4.77 -1.26 -4.46 117.00 128.68 1yal n LEU 157 Ca 0.50 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 57.59 1yal n LEU 157 Cb 0.44 -1.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.40 1yal n LEU 157 CO 0.80 -0.99 0.11 -0.90 -1.33 0.00 0.00 177.39 175.08 1yal n ASP 158 N 3.18 0.00 -3.74 -1.43 5.68 -0.74 -4.92 116.55 114.58 1yal n ASP 158 Ca 0.21 -1.00 -0.13 0.00 -0.50 0.00 0.00 54.79 53.37 1yal n ASP 158 Cb 0.15 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.03 1yal n ASP 158 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 1yal s HIS 159 N 0.00 -0.42 -0.14 2.11 5.04 -0.69 -4.86 115.29 116.33 1yal s HIS 159 Ca 0.00 1.03 -0.03 0.00 -1.54 0.00 0.00 55.06 54.52 1yal s HIS 159 Cb 0.00 0.15 -0.03 0.00 0.04 0.00 0.00 32.58 32.74 1yal s HIS 159 CO 0.00 -0.22 -0.04 0.00 -2.34 0.00 0.00 174.74 172.14 1yal s ALA 160 N 0.15 3.00 0.17 1.58 0.00 -1.26 -1.03 121.76 124.37 1yal s ALA 160 Ca -0.00 -0.83 0.03 0.00 0.00 0.00 0.00 51.96 51.16 1yal s ALA 160 Cb -0.03 -1.50 -0.01 0.00 0.00 0.00 0.00 23.12 21.58 1yal s ALA 160 CO 0.01 0.28 0.10 1.33 0.00 0.00 0.00 175.76 177.48 1yal n VAL 161 N 3.28 0.00 -4.61 0.00 0.24 -0.40 -4.60 118.33 112.24 1yal n VAL 161 Ca -0.18 -1.11 -0.28 0.00 -2.04 0.00 0.00 64.34 60.73 1yal n VAL 161 Cb 0.53 0.48 -0.17 0.00 -1.47 0.00 0.00 33.84 33.21 1yal n VAL 161 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1yal s THR 162 N -2.45 1.54 -0.14 3.34 2.01 -1.00 -1.38 115.64 117.56 1yal s THR 162 Ca 0.14 -0.69 -0.23 0.00 0.31 0.00 0.00 61.69 61.23 1yal s THR 162 Cb 0.01 -1.39 -0.03 0.00 0.01 0.00 0.00 72.50 71.10 1yal s THR 162 CO 0.10 0.45 0.72 0.00 -0.69 0.00 0.00 174.62 175.20 1yal s ALA 163 N 0.81 3.47 -0.01 7.40 0.00 0.24 -0.07 121.76 133.60 1yal s ALA 163 Ca -0.10 -0.03 0.01 0.00 0.00 0.00 0.00 51.96 51.84 1yal s ALA 163 Cb -0.16 -3.06 0.01 0.00 0.00 0.00 0.00 23.12 19.92 1yal s ALA 163 CO 0.01 -0.44 0.98 1.33 0.00 0.00 0.00 175.76 177.64 1yal n VAL 164 N 4.40 0.98 0.00 0.00 0.24 0.06 -1.73 118.33 122.29 1yal n VAL 164 Ca 0.01 -1.00 0.00 0.00 -2.04 0.00 0.00 64.34 61.31 1yal n VAL 164 Cb 0.50 0.49 0.00 0.00 -1.47 0.00 0.00 33.84 33.36 1yal n VAL 164 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1yal n GLY 165 N -0.51 -0.70 3.70 7.63 0.00 -1.24 -0.91 105.19 113.16 1yal n GLY 165 Ca 0.01 -1.26 -0.08 0.00 0.00 0.00 0.00 46.02 44.69 1yal n GLY 165 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1yal s TYR 166 N -2.00 -0.07 -2.09 1.61 -0.85 -0.05 0.34 117.35 114.23 1yal s TYR 166 Ca 0.00 -0.33 0.00 0.00 -0.52 0.00 0.00 57.07 56.22 1yal s TYR 166 Cb 0.00 0.51 0.00 0.00 0.38 0.00 0.00 41.96 42.85 1yal s TYR 166 CO 0.00 -1.09 0.00 0.41 -1.52 0.00 0.00 175.55 173.35 1yal n GLY 167 N -0.41 -1.22 3.07 5.49 0.00 -0.84 -1.59 105.19 109.69 1yal n GLY 167 Ca -0.06 -0.96 -0.15 0.00 0.00 0.00 0.00 46.02 44.85 1yal n GLY 167 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1yal s THR 168 N -3.00 0.68 -0.15 2.61 -1.32 -1.26 -0.08 115.64 113.11 1yal s THR 168 Ca 0.00 -0.96 -0.08 0.00 -1.21 0.00 0.00 61.69 59.45 1yal s THR 168 Cb 0.00 -0.69 0.06 0.00 -1.51 0.00 0.00 72.50 70.36 1yal s THR 168 CO 0.00 -0.22 0.36 -0.55 -2.21 0.00 0.00 174.62 172.00 1yal s SER 169 N -1.29 -0.41 -1.38 8.08 0.15 0.55 -4.92 113.70 114.48 1yal s SER 169 Ca -0.05 0.80 -0.07 0.00 0.70 0.00 0.00 55.95 57.32 1yal s SER 169 Cb -0.08 0.71 0.03 0.00 -1.71 0.00 0.00 66.02 64.97 1yal s SER 169 CO 0.01 -0.19 0.99 -0.67 1.20 0.00 0.00 173.24 174.58 1yal n ASP 170 N 4.36 -4.10 -0.28 5.45 2.03 -1.26 -1.09 116.55 121.66 1yal n ASP 170 Ca -0.22 -0.69 -0.04 0.00 0.52 0.00 0.00 54.79 54.36 1yal n ASP 170 Cb 0.54 -4.45 -0.02 0.00 -0.72 0.00 0.00 41.12 36.47 1yal n ASP 170 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1yal n GLY 171 N -1.68 0.61 3.07 0.27 0.00 -1.26 -5.01 105.19 101.18 1yal n GLY 171 Ca -0.09 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 1yal n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yal s LYS 172 N -1.62 2.32 0.23 1.61 1.02 -0.25 -5.12 119.74 117.94 1yal s LYS 172 Ca 0.00 -0.60 -0.30 0.00 0.02 0.00 0.00 55.97 55.09 1yal s LYS 172 Cb 0.00 -1.97 -0.09 0.00 -0.52 0.00 0.00 37.83 35.26 1yal s LYS 172 CO 0.00 -0.06 0.96 -0.80 -0.92 0.00 0.00 175.35 174.52 1yal s ASN 173 N 0.98 7.60 0.26 2.83 0.01 -1.26 -0.33 114.94 125.03 1yal s ASN 173 Ca -0.06 1.97 -0.02 0.00 -0.71 0.00 0.00 52.86 54.04 1yal s ASN 173 Cb -0.15 -2.61 -0.02 0.00 0.41 0.00 0.00 41.25 38.88 1yal s ASN 173 CO -0.02 0.11 0.28 -0.72 -1.51 0.00 0.00 177.10 175.25 1yal s TYR 174 N -1.09 1.12 -0.04 2.20 -0.85 0.88 -1.02 117.35 118.56 1yal s TYR 174 Ca 0.42 -1.30 0.03 0.00 -0.52 0.00 0.00 57.07 55.70 1yal s TYR 174 Cb -0.26 -0.37 0.00 0.00 0.38 0.00 0.00 41.96 41.70 1yal s TYR 174 CO 0.33 -0.84 -0.13 0.42 -1.52 0.00 0.00 175.55 173.81 1yal s ILE 175 N -3.79 1.13 -0.16 -3.49 1.01 0.19 -1.98 121.20 114.11 1yal s ILE 175 Ca 0.35 -0.55 -0.20 0.00 0.00 0.00 0.00 60.65 60.26 1yal s ILE 175 Cb 0.03 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.48 1yal s ILE 175 CO 0.16 0.34 0.56 -0.63 0.00 0.00 0.00 174.94 175.37 1yal s ILE 176 N 0.15 5.10 -0.09 2.92 1.01 0.15 -0.74 121.20 129.70 1yal s ILE 176 Ca -0.04 1.08 0.02 0.00 0.00 0.00 0.00 60.65 61.71 1yal s ILE 176 Cb -0.11 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 1yal s ILE 176 CO 0.02 0.21 -0.17 -0.63 0.00 0.00 0.00 174.94 174.37 1yal s ILE 177 N 1.34 2.78 -0.29 2.92 -1.09 0.13 -0.76 121.20 126.23 1yal s ILE 177 Ca 0.28 -0.79 -0.11 0.00 -2.23 0.00 0.00 60.65 57.80 1yal s ILE 177 Cb -0.16 -2.11 -0.04 0.00 -1.58 0.00 0.00 42.46 38.57 1yal s ILE 177 CO 0.11 0.56 0.19 -0.75 -1.23 0.00 0.00 174.94 173.82 1yal s LYS 178 N -0.07 3.83 0.48 2.79 2.20 0.90 -1.54 119.74 128.33 1yal s LYS 178 Ca -0.04 -0.40 0.07 0.00 -0.36 0.00 0.00 55.97 55.24 1yal s LYS 178 Cb -0.14 -3.66 0.03 0.00 -1.51 0.00 0.00 37.83 32.55 1yal s LYS 178 CO 0.04 -0.24 0.67 1.21 -0.36 0.00 0.00 175.35 176.67 1yal s ASN 179 N 1.74 5.43 -0.36 1.43 3.84 -0.90 -2.37 114.94 123.75 1yal s ASN 179 Ca 0.07 -0.43 0.07 0.00 0.21 0.00 0.00 52.86 52.77 1yal s ASN 179 Cb -0.16 -0.48 0.44 0.00 -0.55 0.00 0.00 41.25 40.50 1yal s ASN 179 CO 0.10 -0.98 1.15 -1.54 -2.79 0.00 0.00 177.10 173.03 1yal n SER 180 N -2.05 4.71 -0.68 -4.21 3.41 -1.26 -4.54 113.62 108.99 1yal n SER 180 Ca 0.10 -3.69 0.07 0.00 -0.26 0.00 0.00 58.87 55.09 1yal n SER 180 Cb 0.60 -0.40 0.22 0.00 -0.26 0.00 0.00 64.21 64.36 1yal n SER 180 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1yal n TRP 181 N -0.59 0.66 0.00 7.33 8.01 -1.21 -0.59 117.44 131.06 1yal n TRP 181 Ca 0.40 -1.03 0.00 0.00 -1.31 0.00 0.00 57.50 55.57 1yal n TRP 181 Cb 0.82 -0.29 0.00 0.00 -2.01 0.00 0.00 31.31 29.83 1yal n TRP 181 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1yal n GLY 182 N -0.88 -0.68 0.03 6.99 0.00 -0.27 -4.45 105.19 105.93 1yal n GLY 182 Ca 0.21 -1.69 0.12 0.00 0.00 0.00 0.00 46.02 44.66 1yal n GLY 182 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1yal n PRO 183 N -0.75 0.06 0.16 1.61 -0.04 -1.26 -3.59 135.00 131.18 1yal n PRO 183 Ca 0.00 0.13 0.12 0.00 -0.04 0.00 0.00 63.50 63.71 1yal n PRO 183 Cb 0.00 -1.59 0.10 0.00 -0.04 0.00 0.00 33.50 31.97 1yal n PRO 183 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1yal h ASN 184 N 0.00 0.00 -3.67 3.54 2.35 -1.88 -3.10 115.58 112.82 1yal h ASN 184 Ca 0.00 -0.01 -0.50 0.00 -0.55 0.00 0.00 56.30 55.24 1yal h ASN 184 Cb 0.47 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.82 1yal h ASN 184 CO 0.00 0.00 0.21 0.86 -1.65 0.00 0.00 177.43 176.86 1yal s TRP 185 N -3.28 3.73 0.00 1.19 -0.00 -1.24 -4.84 118.94 114.51 1yal s TRP 185 Ca 0.04 1.59 0.00 0.00 -0.00 0.00 0.00 56.10 57.73 1yal s TRP 185 Cb 0.08 -2.77 0.00 0.00 -0.00 0.00 0.00 33.47 30.78 1yal s TRP 185 CO 0.73 0.34 0.00 0.41 -0.00 0.00 0.00 176.95 178.42 1yal n GLY 186 N 0.89 1.92 3.45 5.86 0.00 -1.13 0.20 105.19 116.38 1yal n GLY 186 Ca -0.02 -0.45 -0.44 0.00 0.00 0.00 0.00 46.02 45.11 1yal n GLY 186 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yal s GLU 187 N 0.00 4.04 -1.40 1.61 2.02 0.87 -4.36 118.70 121.49 1yal s GLU 187 Ca 0.00 -2.55 -0.09 0.00 0.02 0.00 0.00 54.97 52.36 1yal s GLU 187 Cb 0.00 -5.00 0.01 0.00 0.10 0.00 0.00 34.13 29.24 1yal s GLU 187 CO 0.00 -1.72 1.10 1.63 0.02 0.00 0.00 175.26 176.29 1yal n LYS 188 N 5.49 -7.47 -0.03 1.61 5.02 -1.24 -1.86 118.16 119.68 1yal n LYS 188 Ca 0.34 0.82 0.00 0.00 -2.02 0.00 0.00 58.31 57.46 1yal n LYS 188 Cb 0.43 -5.85 0.00 0.00 -0.02 0.00 0.00 35.03 29.59 1yal n LYS 188 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1yal n GLY 189 N -1.94 0.81 3.77 0.72 0.00 0.13 -4.67 105.19 104.01 1yal n GLY 189 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1yal n GLY 189 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1yal s TYR 190 N -2.30 2.75 -0.01 1.61 1.51 -0.78 -2.12 117.35 118.01 1yal s TYR 190 Ca 0.00 -0.38 -0.00 0.00 -1.01 0.00 0.00 57.07 55.68 1yal s TYR 190 Cb 0.00 -1.73 0.01 0.00 -0.11 0.00 0.00 41.96 40.13 1yal s TYR 190 CO 0.00 0.26 0.02 1.41 -1.11 0.00 0.00 175.55 176.13 1yal s MET 191 N -3.91 -0.01 -0.42 -0.62 -2.45 -0.59 -0.09 119.30 111.22 1yal s MET 191 Ca 0.39 0.10 -0.17 0.00 -1.25 0.00 0.00 55.69 54.76 1yal s MET 191 Cb -0.03 -0.11 0.02 0.00 1.25 0.00 0.00 34.83 35.96 1yal s MET 191 CO 0.24 -0.08 0.44 1.03 1.05 0.00 0.00 175.02 177.70 1yal s ARG 192 N 0.51 3.12 -0.17 4.11 0.52 -1.26 -0.70 118.95 125.09 1yal s ARG 192 Ca -0.04 -0.73 -0.13 0.00 -0.52 0.00 0.00 55.73 54.30 1yal s ARG 192 Cb -0.06 -3.96 -0.05 0.00 0.52 0.00 0.00 34.95 31.40 1yal s ARG 192 CO -0.01 -0.84 0.26 -1.17 0.02 0.00 0.00 175.30 173.56 1yal s LEU 193 N 2.14 4.23 0.30 2.53 2.96 0.08 -0.44 118.68 130.48 1yal s LEU 193 Ca 0.12 0.44 -0.29 0.00 -0.22 0.00 0.00 54.13 54.18 1yal s LEU 193 Cb -0.17 -2.31 -0.13 0.00 0.50 0.00 0.00 46.19 44.08 1yal s LEU 193 CO 0.14 0.12 1.35 1.17 -1.32 0.00 0.00 176.35 177.80 1yal n LYS 194 N 3.57 2.11 -3.37 1.98 4.81 0.75 -0.64 118.16 127.37 1yal n LYS 194 Ca -0.13 0.75 -0.43 0.00 -0.87 0.00 0.00 58.31 57.63 1yal n LYS 194 Cb 0.52 -2.36 -0.09 0.00 0.02 0.00 0.00 35.03 33.11 1yal n LYS 194 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1yal s ARG 195 N -1.24 3.10 0.28 1.64 3.52 -0.18 -4.27 118.95 121.80 1yal s ARG 195 Ca 0.61 -0.81 -0.29 0.00 -0.13 0.00 0.00 55.73 55.11 1yal s ARG 195 Cb -0.60 -3.96 -0.09 0.00 -1.56 0.00 0.00 34.95 28.74 1yal s ARG 195 CO 0.57 -0.79 1.07 -0.65 -0.81 0.00 0.00 175.30 174.69 1yal s GLN 196 N 1.98 4.64 0.49 5.12 -0.21 -1.26 -4.78 119.66 125.64 1yal s GLN 196 Ca 0.10 1.73 -0.15 0.00 0.02 0.00 0.00 55.36 57.06 1yal s GLN 196 Cb -0.18 -3.15 -0.07 0.00 1.00 0.00 0.00 33.01 30.61 1yal s GLN 196 CO 0.12 0.24 0.93 -1.54 -2.12 0.00 0.00 175.29 172.92 1yal s SER 197 N -0.98 6.60 0.72 5.90 1.04 -1.26 -4.67 113.70 121.04 1yal s SER 197 Ca 0.45 1.46 0.00 0.00 0.48 0.00 0.00 55.95 58.33 1yal s SER 197 Cb -0.30 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.36 1yal s SER 197 CO 0.39 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.68 1yal n GLY 198 N -1.51 2.48 3.54 7.32 0.00 -1.26 -4.41 105.19 111.35 1yal n GLY 198 Ca 0.05 -0.31 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 1yal n GLY 198 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1yal s ASN 199 N -4.00 6.26 0.24 1.61 3.04 -1.26 -1.19 114.94 119.64 1yal s ASN 199 Ca 0.00 -0.82 -0.22 0.00 0.04 0.00 0.00 52.86 51.86 1yal s ASN 199 Cb 0.00 -2.54 0.04 0.00 -1.54 0.00 0.00 41.25 37.21 1yal s ASN 199 CO 0.00 -1.68 0.69 -0.94 -3.04 0.00 0.00 177.10 172.12 1yal s SER 200 N 4.04 -0.36 0.17 -4.21 1.04 -0.91 -5.03 113.70 108.44 1yal s SER 200 Ca 0.36 -0.40 0.24 0.00 0.48 0.00 0.00 55.95 56.63 1yal s SER 200 Cb -0.07 0.68 0.91 0.00 0.10 0.00 0.00 66.02 67.64 1yal s SER 200 CO 0.07 -1.21 1.72 0.00 0.98 0.00 0.00 173.24 174.81 1yal n GLN 201 N -0.43 0.16 0.00 4.02 6.02 -1.26 -4.27 117.38 121.61 1yal n GLN 201 Ca -0.08 0.27 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 1yal n GLN 201 Cb 0.61 -1.74 0.00 0.00 1.02 0.00 0.00 30.24 30.13 1yal n GLN 201 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1yal n GLY 202 N 0.62 -1.14 3.69 1.08 0.00 -1.26 -1.26 105.19 106.92 1yal n GLY 202 Ca 0.04 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.07 1yal n GLY 202 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yal s THR 203 N -3.04 2.58 -2.05 2.61 2.01 -1.26 -1.28 115.64 115.20 1yal s THR 203 Ca 0.00 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.14 1yal s THR 203 Cb 0.00 -3.09 0.00 0.00 0.01 0.00 0.00 72.50 69.42 1yal s THR 203 CO 0.00 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 173.93 1yal n GLY 205 N -0.62 0.55 0.30 0.00 0.00 -0.41 -1.03 105.19 103.98 1yal n GLY 205 Ca -0.22 -0.81 0.15 0.00 0.00 0.00 0.00 46.02 45.15 1yal n GLY 205 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1yal h VAL 206 N 0.00 0.48 -0.10 1.61 3.04 -1.35 -1.88 116.25 118.06 1yal h VAL 206 Ca -0.10 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 1yal h VAL 206 Cb 0.54 1.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 1yal h VAL 206 CO 0.13 0.02 0.00 -1.22 -1.01 0.00 0.00 177.57 175.49 1yal n TYR 207 N -3.73 0.11 0.08 3.17 4.01 -0.39 -4.48 117.16 115.94 1yal n TYR 207 Ca -0.03 -0.05 -0.10 0.00 -0.16 0.00 0.00 57.90 57.56 1yal n TYR 207 Cb 0.11 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.06 1yal n TYR 207 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1yal h LYS 208 N 3.01 0.15 -1.66 -0.72 1.57 -1.40 0.28 116.57 117.80 1yal h LYS 208 Ca 0.00 -0.21 -0.41 0.00 -1.87 0.00 0.00 60.65 58.16 1yal h LYS 208 Cb 0.65 0.07 -0.29 0.00 0.08 0.00 0.00 32.23 32.74 1yal h LYS 208 CO 0.00 1.04 -0.80 0.45 -0.57 0.00 0.00 179.45 179.57 1yal n SER 209 N -3.52 -1.58 -4.46 0.86 2.88 -1.26 -4.77 113.62 101.76 1yal n SER 209 Ca -0.04 -2.67 -0.33 0.00 -1.33 0.00 0.00 58.87 54.50 1yal n SER 209 Cb 0.91 0.39 -0.13 0.00 -0.75 0.00 0.00 64.21 64.63 1yal n SER 209 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1yal s SER 210 N -0.00 4.13 0.09 -3.46 0.01 -1.26 -2.98 113.70 110.23 1yal s SER 210 Ca 0.32 -0.20 0.02 0.00 1.31 0.00 0.00 55.95 57.40 1yal s SER 210 Cb 0.06 -1.12 -0.04 0.00 0.21 0.00 0.00 66.02 65.13 1yal s SER 210 CO -0.14 0.30 -0.07 -0.31 0.41 0.00 0.00 173.24 173.42 1yal s TYR 211 N -0.43 0.86 -0.05 2.43 1.51 -0.38 -0.77 117.35 120.53 1yal s TYR 211 Ca 0.05 -0.81 -0.08 0.00 -1.01 0.00 0.00 57.07 55.22 1yal s TYR 211 Cb -0.12 -0.50 0.02 0.00 -0.11 0.00 0.00 41.96 41.25 1yal s TYR 211 CO 0.02 -0.12 0.21 1.52 -1.11 0.00 0.00 175.55 176.07 1yal s TYR 212 N -3.07 -0.16 0.44 2.71 1.13 -0.53 -0.91 117.35 116.96 1yal s TYR 212 Ca 0.07 0.37 -0.07 0.00 -1.41 0.00 0.00 57.07 56.03 1yal s TYR 212 Cb 0.01 0.05 -0.05 0.00 -1.10 0.00 0.00 41.96 40.88 1yal s TYR 212 CO -0.03 -0.19 0.76 -1.25 -2.51 0.00 0.00 175.55 172.33 1yal s PRO 213 N -0.42 3.62 0.02 -3.49 0.04 -1.26 -0.73 135.00 132.78 1yal s PRO 213 Ca -0.05 0.26 0.06 0.00 0.04 0.00 0.00 61.00 61.31 1yal s PRO 213 Cb -0.03 -2.40 -0.02 0.00 0.04 0.00 0.00 34.50 32.08 1yal s PRO 213 CO 0.01 -0.12 -0.18 -0.59 0.04 0.00 0.00 177.00 176.16 1yal s PHE 214 N -2.58 1.57 -0.10 0.56 -0.71 0.11 -4.88 117.98 111.95 1yal s PHE 214 Ca 0.48 -0.34 -0.01 0.00 -1.04 0.00 0.00 56.93 56.02 1yal s PHE 214 Cb -0.10 -0.96 0.03 0.00 -1.21 0.00 0.00 43.02 40.77 1yal s PHE 214 CO 0.40 0.03 -0.02 0.21 -1.34 0.00 0.00 175.22 174.50 1yal s LYS 215 N -0.88 0.91 0.11 1.99 2.20 -1.26 -0.29 119.74 122.52 1yal s LYS 215 Ca 0.06 -0.09 0.22 0.00 -0.36 0.00 0.00 55.97 55.80 1yal s LYS 215 Cb -0.08 -1.34 -0.13 0.00 -1.51 0.00 0.00 37.83 34.77 1yal s LYS 215 CO 0.01 -0.34 0.82 0.41 -0.36 0.00 0.00 175.35 175.88 1yal n GLY 216 N 5.06 -1.28 3.25 5.54 0.00 -1.26 -4.92 105.19 111.58 1yal n GLY 216 Ca -0.09 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 1yal n GLY 216 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yal s PHE 217 N -3.38 1.25 -0.35 1.61 0.08 -1.26 -5.14 117.98 110.79 1yal s PHE 217 Ca -0.03 -1.10 0.03 0.00 0.12 0.00 0.00 56.93 55.95 1yal s PHE 217 Cb 0.11 -0.71 0.02 0.00 -0.57 0.00 0.00 43.02 41.87 1yal s PHE 217 CO 0.83 -0.29 0.59 0.00 -0.10 0.00 0.00 175.22 176.25