#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yla n SER 0 N 0.00 1.88 -4.56 1.61 3.41 -1.26 -4.93 113.62 109.77 1yla n SER 0 Ca 0.00 -2.07 -0.28 0.00 -0.26 0.00 0.00 58.87 56.26 1yla n SER 0 Cb 0.00 0.34 0.13 0.00 -0.26 0.00 0.00 64.21 64.42 1yla n SER 0 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1yla s MET 1 N -2.82 1.41 0.84 4.33 1.00 -1.26 -5.05 119.30 117.74 1yla s MET 1 Ca 0.05 -0.28 -0.11 0.00 0.00 0.00 0.00 55.69 55.35 1yla s MET 1 Cb 0.00 -1.97 0.10 0.00 0.00 0.00 0.00 34.83 32.95 1yla s MET 1 CO 0.04 -1.88 1.10 0.00 0.00 0.00 0.00 175.02 174.28 1yla s ALA 2 N -3.62 1.88 0.17 3.03 0.00 -1.26 -4.75 121.76 117.20 1yla s ALA 2 Ca 0.67 0.23 -0.16 0.00 0.00 0.00 0.00 51.96 52.70 1yla s ALA 2 Cb -0.07 -3.28 0.11 0.00 0.00 0.00 0.00 23.12 19.87 1yla s ALA 2 CO 0.50 -2.13 1.68 -0.97 0.00 0.00 0.00 175.76 174.83 1yla h ASN 3 N -1.40 -0.29 -0.77 0.00 -1.24 -1.99 -1.94 115.58 107.96 1yla h ASN 3 Ca -0.45 0.11 0.02 0.00 0.71 0.00 0.00 56.30 56.69 1yla h ASN 3 Cb 1.25 0.22 -0.04 0.00 0.73 0.00 0.00 38.32 40.48 1yla h ASN 3 CO 0.50 -0.10 0.51 -0.29 -1.29 0.00 0.00 177.43 176.76 1yla h ILE 4 N 0.05 1.15 -0.12 2.57 2.10 -1.92 -2.13 117.51 119.21 1yla h ILE 4 Ca 0.20 -0.34 -0.13 0.00 1.08 0.00 0.00 64.86 65.68 1yla h ILE 4 Cb 0.30 0.08 0.00 0.00 -1.09 0.00 0.00 36.82 36.12 1yla h ILE 4 CO -0.38 0.18 -0.42 0.00 -1.08 0.00 0.00 178.15 176.44 1yla h ALA 5 N 1.54 0.21 -0.47 0.18 0.00 -1.58 -2.72 119.26 116.42 1yla h ALA 5 Ca 0.30 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1yla h ALA 5 Cb -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1yla h ALA 5 CO -0.08 0.33 0.11 0.28 0.00 0.00 0.00 179.25 179.89 1yla h VAL 6 N 0.09 1.24 -0.89 0.00 2.07 -1.26 -1.67 116.25 115.82 1yla h VAL 6 Ca -0.02 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 1yla h VAL 6 Cb 1.06 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 1yla h VAL 6 CO 0.09 0.30 0.48 1.56 0.02 0.00 0.00 177.57 180.01 1yla h GLN 7 N 0.63 1.24 0.34 1.57 1.08 -1.46 0.13 115.11 118.65 1yla h GLN 7 Ca 0.15 -0.15 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1yla h GLN 7 Cb 0.33 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 1yla h GLN 7 CO 0.00 0.92 -0.16 0.00 -0.95 0.00 0.00 178.83 178.63 1yla h ARG 8 N 1.25 -0.44 -0.73 1.46 2.47 -1.34 -1.54 114.38 115.50 1yla h ARG 8 Ca 0.31 0.03 0.09 0.00 -1.26 0.00 0.00 59.98 59.15 1yla h ARG 8 Cb 0.04 0.10 -0.07 0.00 -1.65 0.00 0.00 29.97 28.39 1yla h ARG 8 CO -0.05 -0.14 0.38 0.82 0.56 0.00 0.00 179.97 181.54 1yla h ILE 9 N -0.76 0.87 -0.38 2.04 1.08 -1.09 0.47 117.51 119.72 1yla h ILE 9 Ca -0.05 -0.22 -0.00 0.00 -0.39 0.00 0.00 64.86 64.20 1yla h ILE 9 Cb 0.51 0.17 -0.02 0.00 -3.07 0.00 0.00 36.82 34.41 1yla h ILE 9 CO 0.08 0.12 0.23 0.11 -0.69 0.00 0.00 178.15 178.00 1yla h LYS 10 N 0.64 0.52 -0.56 2.37 1.57 -0.74 0.32 116.57 120.69 1yla h LYS 10 Ca 0.36 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.98 1yla h LYS 10 Cb 0.36 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1yla h LYS 10 CO -0.26 0.38 -0.08 -0.09 -0.57 0.00 0.00 179.45 178.83 1yla h ARG 11 N 0.50 1.04 -0.01 3.15 2.43 -0.34 -1.83 114.38 119.32 1yla h ARG 11 Ca 0.14 -0.37 -0.18 0.00 -0.81 0.00 0.00 59.98 58.77 1yla h ARG 11 Cb -0.01 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1yla h ARG 11 CO -0.03 1.06 -0.79 0.93 -1.51 0.00 0.00 179.97 179.63 1yla h GLU 12 N 0.93 0.15 -0.19 0.20 5.08 0.12 -1.22 114.58 119.65 1yla h GLU 12 Ca 0.15 -0.14 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1yla h GLU 12 Cb 0.64 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 1yla h GLU 12 CO 0.04 0.86 -0.29 0.35 -1.00 0.00 0.00 179.01 178.97 1yla h PHE 13 N 0.09 0.41 0.18 4.33 3.04 -0.23 -2.30 116.94 122.46 1yla h PHE 13 Ca -0.03 -0.09 -0.01 0.00 3.98 0.00 0.00 57.97 61.83 1yla h PHE 13 Cb 1.38 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.80 1yla h PHE 13 CO 0.02 0.62 -0.09 -0.22 -2.02 0.00 0.00 178.31 176.63 1yla h LYS 14 N 0.32 -0.24 -0.58 1.11 3.64 -1.17 -3.00 116.57 116.64 1yla h LYS 14 Ca 0.04 0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.56 1yla h LYS 14 Cb 0.68 0.05 -0.11 0.00 -0.41 0.00 0.00 32.23 32.45 1yla h LYS 14 CO 0.05 0.16 -0.13 1.49 -2.27 0.00 0.00 179.45 178.75 1yla h GLU 15 N -0.72 0.01 -0.25 1.90 4.81 -1.10 -1.77 114.58 117.46 1yla h GLU 15 Ca -0.03 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1yla h GLU 15 Cb 0.50 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.84 1yla h GLU 15 CO 0.04 0.01 -0.02 0.28 -0.73 0.00 0.00 179.01 178.58 1yla h VAL 16 N 0.01 0.79 -0.78 0.32 2.07 -1.47 -1.43 116.25 115.77 1yla h VAL 16 Ca 0.28 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.79 1yla h VAL 16 Cb 0.43 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 1yla h VAL 16 CO -0.59 0.01 0.50 -0.07 0.02 0.00 0.00 177.57 177.44 1yla h LEU 17 N 0.05 0.91 -2.59 2.57 3.38 -1.21 -2.67 115.31 115.74 1yla h LEU 17 Ca 0.12 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1yla h LEU 17 Cb 0.17 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1yla h LEU 17 CO -0.22 0.67 0.00 0.29 0.09 0.00 0.00 178.44 179.27 1yla n LYS 18 N -4.40 3.25 -2.61 1.13 5.02 -0.74 -4.79 118.16 115.02 1yla n LYS 18 Ca 0.08 -2.29 -0.31 0.00 -2.02 0.00 0.00 58.31 53.78 1yla n LYS 18 Cb 0.04 -1.80 -0.03 0.00 -0.02 0.00 0.00 35.03 33.23 1yla n LYS 18 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1yla s SER 19 N -0.79 6.55 0.40 4.39 1.04 -0.58 -4.97 113.70 119.74 1yla s SER 19 Ca 0.41 1.33 0.16 0.00 0.48 0.00 0.00 55.95 58.33 1yla s SER 19 Cb 0.27 -2.41 0.84 0.00 0.10 0.00 0.00 66.02 64.82 1yla s SER 19 CO 0.19 -0.51 1.86 -0.33 0.98 0.00 0.00 173.24 175.43 1yla h GLU 20 N 1.02 0.00 -0.21 4.02 5.08 -1.90 -2.84 114.58 119.74 1yla h GLU 20 Ca -0.47 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.76 1yla h GLU 20 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1yla h GLU 20 CO 0.63 0.33 -0.41 0.93 -1.00 0.00 0.00 179.01 179.48 1yla h GLU 21 N 0.00 0.50 0.00 2.33 3.07 -1.93 -2.42 114.58 116.13 1yla h GLU 21 Ca -0.00 -0.26 -0.17 0.00 -0.50 0.00 0.00 59.36 58.43 1yla h GLU 21 Cb 0.63 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.52 1yla h GLU 21 CO 0.04 0.83 -0.82 1.15 -1.40 0.00 0.00 179.01 178.82 1yla h THR 22 N 0.42 1.55 0.00 1.13 2.02 -1.67 0.97 112.91 117.33 1yla h THR 22 Ca 0.04 -2.70 -0.05 0.00 0.77 0.00 0.00 66.41 64.46 1yla h THR 22 Cb 0.90 2.47 -0.01 0.00 -1.74 0.00 0.00 68.15 69.77 1yla h THR 22 CO 0.08 0.78 -0.24 0.77 0.37 0.00 0.00 175.52 177.27 1yla h SER 23 N 0.03 0.00 -0.51 4.18 4.64 -1.39 -2.45 113.55 118.05 1yla h SER 23 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1yla h SER 23 Cb 1.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.52 1yla h SER 23 CO 0.11 0.24 0.00 0.29 -0.87 0.00 0.00 176.83 176.60 1yla n LYS 24 N -3.40 2.36 -2.82 4.77 5.02 -0.92 -4.96 118.16 118.21 1yla n LYS 24 Ca 0.00 -2.09 -0.16 0.00 -2.02 0.00 0.00 58.31 54.04 1yla n LYS 24 Cb 0.44 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 34.01 1yla n LYS 24 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1yla n ASN 25 N 1.23 -4.88 -0.09 4.39 5.03 -0.92 -4.94 115.26 115.07 1yla n ASN 25 Ca 0.20 -0.21 -0.13 0.00 0.87 0.00 0.00 54.58 55.30 1yla n ASN 25 Cb 0.51 -3.73 -0.14 0.00 -1.02 0.00 0.00 39.78 35.40 1yla n ASN 25 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1yla n GLN 26 N -3.14 0.68 -4.04 3.52 1.13 0.31 -4.57 117.38 111.27 1yla n GLN 26 Ca -0.08 0.10 -0.10 0.00 -1.94 0.00 0.00 57.00 54.98 1yla n GLN 26 Cb 0.59 -1.56 -0.08 0.00 0.11 0.00 0.00 30.24 29.29 1yla n GLN 26 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 1yla s ILE 27 N -2.52 0.05 0.00 5.09 -4.36 -1.22 -0.65 121.20 117.60 1yla s ILE 27 Ca -0.19 -1.59 0.00 0.00 -0.26 0.00 0.00 60.65 58.62 1yla s ILE 27 Cb 0.07 -2.04 0.00 0.00 1.25 0.00 0.00 42.46 41.74 1yla s ILE 27 CO 0.75 -0.23 0.00 2.29 0.24 0.00 0.00 174.94 177.99 1yla n LYS 28 N -0.23 0.00 -3.95 0.37 2.85 -1.02 -4.13 118.16 112.05 1yla n LYS 28 Ca -0.05 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.12 1yla n LYS 28 Cb 0.63 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.90 1yla n LYS 28 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1yla s VAL 29 N -2.00 0.10 0.35 0.58 0.11 -1.26 -1.40 120.40 116.87 1yla s VAL 29 Ca 0.00 -0.79 0.04 0.00 -2.93 0.00 0.00 61.98 58.30 1yla s VAL 29 Cb 0.00 -0.26 -0.05 0.00 -1.53 0.00 0.00 36.38 34.53 1yla s VAL 29 CO 0.00 -0.43 0.07 -1.81 -3.33 0.00 0.00 175.10 169.59 1yla s ASP 30 N -1.31 2.57 -0.12 3.54 1.11 -0.20 -4.95 116.67 117.32 1yla s ASP 30 Ca -0.14 -1.44 -0.08 0.00 0.18 0.00 0.00 52.55 51.07 1yla s ASP 30 Cb -0.09 0.04 -0.04 0.00 1.07 0.00 0.00 42.92 43.90 1yla s ASP 30 CO -0.01 -0.67 0.16 -0.76 1.18 0.00 0.00 175.17 175.07 1yla s LEU 31 N -3.53 4.38 -0.06 1.23 1.43 -1.26 -2.08 118.68 118.78 1yla s LEU 31 Ca 0.33 0.49 0.08 0.00 -1.03 0.00 0.00 54.13 53.99 1yla s LEU 31 Cb 0.07 -2.11 -0.11 0.00 0.03 0.00 0.00 46.19 44.07 1yla s LEU 31 CO 0.15 0.39 0.07 0.52 0.23 0.00 0.00 176.35 177.70 1yla n VAL 32 N 2.09 0.43 -4.42 -1.59 0.31 -0.71 -4.86 118.33 109.58 1yla n VAL 32 Ca -0.19 -0.31 -0.26 0.00 -0.01 0.00 0.00 64.34 63.57 1yla n VAL 32 Cb 0.55 -0.53 -0.11 0.00 -0.91 0.00 0.00 33.84 32.83 1yla n VAL 32 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1yla s ASP 33 N -3.77 3.34 0.07 4.52 -1.08 -1.08 -4.99 116.67 113.69 1yla s ASP 33 Ca -0.04 -0.89 -0.19 0.00 -0.52 0.00 0.00 52.55 50.92 1yla s ASP 33 Cb 0.03 -0.25 -0.10 0.00 -1.46 0.00 0.00 42.92 41.15 1yla s ASP 33 CO 0.34 0.09 1.47 -0.33 0.52 0.00 0.00 175.17 177.26 1yla h GLU 34 N 3.09 0.44 -0.12 4.34 3.07 -1.95 -3.21 114.58 120.24 1yla h GLU 34 Ca -0.45 -0.17 0.00 0.00 -0.50 0.00 0.00 59.36 58.25 1yla h GLU 34 Cb 1.21 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 1yla h GLU 34 CO 0.50 0.67 0.00 0.27 -1.40 0.00 0.00 179.01 179.05 1yla n ASN 35 N -4.59 0.61 0.00 1.42 0.23 -1.26 -4.91 115.26 106.76 1yla n ASN 35 Ca -0.04 -2.00 0.00 0.00 -0.53 0.00 0.00 54.58 52.01 1yla n ASN 35 Cb 0.29 -0.08 0.00 0.00 -2.08 0.00 0.00 39.78 37.91 1yla n ASN 35 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1yla n PHE 36 N -0.17 0.00 0.24 -2.53 3.72 -1.21 -4.56 117.46 112.94 1yla n PHE 36 Ca 0.04 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.56 1yla n PHE 36 Cb 0.10 -0.24 0.50 0.00 -0.94 0.00 0.00 39.48 38.90 1yla n PHE 36 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1yla h THR 37 N 0.00 0.37 -3.73 4.37 1.35 -1.87 -3.43 112.91 109.97 1yla h THR 37 Ca 0.00 -0.95 -0.34 0.00 -0.55 0.00 0.00 66.41 64.57 1yla h THR 37 Cb 0.11 1.71 -0.31 0.00 -1.73 0.00 0.00 68.15 67.94 1yla h THR 37 CO 0.00 0.15 -0.76 -0.70 -0.25 0.00 0.00 175.52 173.96 1yla s GLU 38 N -3.62 0.46 0.43 4.72 2.12 -1.26 -1.05 118.70 120.50 1yla s GLU 38 Ca 0.01 -0.11 0.03 0.00 0.36 0.00 0.00 54.97 55.26 1yla s GLU 38 Cb 0.09 -0.49 -0.03 0.00 0.26 0.00 0.00 34.13 33.96 1yla s GLU 38 CO 0.61 0.02 0.07 -0.51 -0.54 0.00 0.00 175.26 174.91 1yla s LEU 39 N 0.32 2.19 -0.07 2.70 2.01 0.80 -1.73 118.68 124.90 1yla s LEU 39 Ca -0.03 -1.60 -0.03 0.00 0.01 0.00 0.00 54.13 52.48 1yla s LEU 39 Cb -0.07 -0.41 0.04 0.00 0.01 0.00 0.00 46.19 45.75 1yla s LEU 39 CO -0.00 -0.82 0.08 -0.60 1.01 0.00 0.00 176.35 176.01 1yla s ARG 40 N -3.79 -0.04 0.50 1.70 3.52 -0.88 -2.39 118.95 117.57 1yla s ARG 40 Ca 0.21 0.29 0.08 0.00 -0.13 0.00 0.00 55.73 56.18 1yla s ARG 40 Cb 0.04 -0.79 0.04 0.00 -1.56 0.00 0.00 34.95 32.68 1yla s ARG 40 CO 0.11 -0.41 0.63 0.20 -0.81 0.00 0.00 175.30 175.03 1yla s GLY 41 N 2.17 1.91 -0.29 8.12 0.00 -0.70 -1.03 107.32 117.51 1yla s GLY 41 Ca 0.04 -1.87 -0.08 0.00 0.00 0.00 0.00 44.72 42.81 1yla s GLY 41 CO -0.05 -1.64 0.61 1.85 0.00 0.00 0.00 173.10 173.87 1yla s GLU 42 N -4.46 0.54 0.13 2.90 2.12 -0.50 -0.52 118.70 118.92 1yla s GLU 42 Ca 0.55 1.33 0.07 0.00 0.36 0.00 0.00 54.97 57.29 1yla s GLU 42 Cb -0.07 0.74 -0.04 0.00 0.26 0.00 0.00 34.13 35.03 1yla s GLU 42 CO 0.34 -0.27 -0.08 0.96 -0.54 0.00 0.00 175.26 175.67 1yla s ILE 43 N 2.85 3.40 0.10 -3.70 -4.36 -0.02 -2.42 121.20 117.06 1yla s ILE 43 Ca -0.01 -1.38 -0.16 0.00 -0.26 0.00 0.00 60.65 58.84 1yla s ILE 43 Cb -0.12 -2.64 -0.07 0.00 1.25 0.00 0.00 42.46 40.88 1yla s ILE 43 CO -0.18 0.02 0.54 0.00 0.24 0.00 0.00 174.94 175.56 1yla s ALA 44 N -1.42 3.59 0.25 2.27 0.00 0.18 -0.91 121.76 125.72 1yla s ALA 44 Ca 0.23 -0.07 -0.31 0.00 0.00 0.00 0.00 51.96 51.81 1yla s ALA 44 Cb -0.10 -2.55 -0.11 0.00 0.00 0.00 0.00 23.12 20.35 1yla s ALA 44 CO 0.15 0.44 1.63 0.20 0.00 0.00 0.00 175.76 178.18 1yla s GLY 45 N -1.42 1.76 0.67 0.00 0.00 0.72 -4.94 107.32 104.11 1yla s GLY 45 Ca 0.33 1.56 -0.16 0.00 0.00 0.00 0.00 44.72 46.45 1yla s GLY 45 CO 0.18 2.67 1.17 -4.14 0.00 0.00 0.00 173.10 172.98 1yla s PRO 46 N 0.21 2.60 0.70 2.90 0.02 -1.26 -4.39 135.00 135.77 1yla s PRO 46 Ca 0.68 1.63 -0.11 0.00 0.02 0.00 0.00 61.00 63.21 1yla s PRO 46 Cb -0.48 -1.90 0.01 0.00 0.02 0.00 0.00 34.50 32.15 1yla s PRO 46 CO 0.41 -1.45 1.07 -1.25 -0.33 0.00 0.00 177.00 175.44 1yla s PRO 47 N -3.83 2.87 -1.33 5.54 0.04 -1.26 -3.34 135.00 133.69 1yla s PRO 47 Ca 0.72 1.02 -0.04 0.00 0.04 0.00 0.00 61.00 62.74 1yla s PRO 47 Cb -0.26 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.32 1yla s PRO 47 CO 0.40 -1.15 0.87 -0.25 0.04 0.00 0.00 177.00 176.91 1yla n ASP 48 N -3.06 -2.65 -3.79 6.66 10.43 -1.26 -4.97 116.55 117.91 1yla n ASP 48 Ca 0.08 -0.74 -0.09 0.00 2.57 0.00 0.00 54.79 56.61 1yla n ASP 48 Cb 0.53 -4.36 -0.06 0.00 1.84 0.00 0.00 41.12 39.07 1yla n ASP 48 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 1yla s THR 49 N -3.49 0.11 0.38 -3.53 2.01 -1.25 -5.03 115.64 104.85 1yla s THR 49 Ca 0.20 -1.00 0.38 0.00 0.31 0.00 0.00 61.69 61.58 1yla s THR 49 Cb -0.09 -1.33 0.41 0.00 0.01 0.00 0.00 72.50 71.50 1yla s THR 49 CO 0.79 -0.51 2.17 -0.65 -0.69 0.00 0.00 174.62 175.73 1yla h PRO 50 N 2.60 0.00 -0.34 4.92 0.11 -1.88 -2.46 132.00 134.95 1yla h PRO 50 Ca -0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1yla h PRO 50 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1yla h PRO 50 CO 0.52 0.01 0.00 0.66 -0.21 0.00 0.00 178.00 178.98 1yla n TYR 51 N -3.13 0.45 -2.21 0.65 4.02 -1.26 -4.05 117.16 111.63 1yla n TYR 51 Ca -0.01 -0.22 -0.42 0.00 -0.01 0.00 0.00 57.90 57.23 1yla n TYR 51 Cb 0.19 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.49 1yla n TYR 51 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 1yla s GLU 52 N -1.55 4.24 0.00 -0.72 2.12 -0.93 -2.27 118.70 119.59 1yla s GLU 52 Ca 0.33 1.96 0.00 0.00 0.36 0.00 0.00 54.97 57.62 1yla s GLU 52 Cb 0.18 -3.73 0.00 0.00 0.26 0.00 0.00 34.13 30.84 1yla s GLU 52 CO 0.25 -0.68 0.00 0.41 -0.54 0.00 0.00 175.26 174.70 1yla n GLY 53 N 3.78 0.74 3.93 -1.50 0.00 -1.26 -4.56 105.19 106.31 1yla n GLY 53 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1yla n GLY 53 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1yla s GLY 54 N -2.06 2.01 -0.10 -0.02 0.00 -0.96 -3.27 107.32 102.92 1yla s GLY 54 Ca 0.00 -0.91 0.03 0.00 0.00 0.00 0.00 44.72 43.83 1yla s GLY 54 CO 0.00 -0.90 -0.20 0.50 0.00 0.00 0.00 173.10 172.50 1yla s ARG 55 N -2.77 3.10 -0.20 2.90 0.52 -0.45 -0.20 118.95 121.84 1yla s ARG 55 Ca 0.35 -0.81 -0.01 0.00 -0.52 0.00 0.00 55.73 54.74 1yla s ARG 55 Cb -0.12 -2.41 0.01 0.00 0.52 0.00 0.00 34.95 32.95 1yla s ARG 55 CO 0.28 0.23 -0.12 0.71 0.02 0.00 0.00 175.30 176.42 1yla s TYR 56 N 0.25 2.87 0.22 -0.53 2.02 -0.09 -4.66 117.35 117.43 1yla s TYR 56 Ca -0.13 -1.28 -0.20 0.00 -0.37 0.00 0.00 57.07 55.09 1yla s TYR 56 Cb -0.17 -2.01 -0.08 0.00 -0.40 0.00 0.00 41.96 39.30 1yla s TYR 56 CO 0.07 -0.67 0.72 -0.65 -1.57 0.00 0.00 175.55 173.45 1yla s GLN 57 N 1.37 4.25 0.06 -0.62 -0.21 -1.26 -0.84 119.66 122.41 1yla s GLN 57 Ca 0.05 0.86 0.06 0.00 0.02 0.00 0.00 55.36 56.35 1yla s GLN 57 Cb -0.14 -2.89 -0.03 0.00 1.00 0.00 0.00 33.01 30.96 1yla s GLN 57 CO -0.08 0.40 -0.17 -0.51 -2.12 0.00 0.00 175.29 172.82 1yla s LEU 58 N -1.95 2.22 -0.39 2.90 1.43 0.32 -0.94 118.68 122.27 1yla s LEU 58 Ca 0.42 -0.55 -0.14 0.00 -1.03 0.00 0.00 54.13 52.84 1yla s LEU 58 Cb -0.17 -0.71 0.01 0.00 0.03 0.00 0.00 46.19 45.36 1yla s LEU 58 CO 0.21 0.04 0.26 -0.70 0.23 0.00 0.00 176.35 176.39 1yla s GLU 59 N -1.42 3.04 -0.25 1.70 2.12 0.11 -1.71 118.70 122.29 1yla s GLU 59 Ca 0.03 -0.96 -0.05 0.00 0.36 0.00 0.00 54.97 54.35 1yla s GLU 59 Cb -0.09 -3.88 -0.00 0.00 0.26 0.00 0.00 34.13 30.41 1yla s GLU 59 CO 0.02 -0.68 0.00 0.42 -0.54 0.00 0.00 175.26 174.49 1yla s ILE 60 N 1.66 3.61 -0.27 -3.70 1.01 -1.01 -2.14 121.20 120.36 1yla s ILE 60 Ca 0.05 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.14 1yla s ILE 60 Cb -0.19 -2.72 0.04 0.00 0.01 0.00 0.00 42.46 39.60 1yla s ILE 60 CO 0.09 0.30 -0.04 -0.54 0.00 0.00 0.00 174.94 174.76 1yla s LYS 61 N 1.49 2.65 0.07 2.79 1.02 -0.71 -0.14 119.74 126.90 1yla s LYS 61 Ca 0.05 -1.11 -0.29 0.00 0.02 0.00 0.00 55.97 54.64 1yla s LYS 61 Cb -0.15 -3.05 -0.05 0.00 -0.52 0.00 0.00 37.83 34.05 1yla s LYS 61 CO -0.01 -0.49 0.92 0.42 -0.92 0.00 0.00 175.35 175.27 1yla s ILE 62 N 1.28 4.65 0.38 2.17 -1.09 -0.22 -1.12 121.20 127.26 1yla s ILE 62 Ca -0.02 1.98 -0.09 0.00 -2.23 0.00 0.00 60.65 60.28 1yla s ILE 62 Cb -0.18 -4.28 -0.06 0.00 -1.58 0.00 0.00 42.46 36.36 1yla s ILE 62 CO -0.03 0.28 0.72 -2.16 -1.23 0.00 0.00 174.94 172.52 1yla s PRO 63 N 0.27 3.73 0.58 2.79 0.04 -1.26 -4.82 135.00 136.33 1yla s PRO 63 Ca 0.46 0.34 0.27 0.00 0.04 0.00 0.00 61.00 62.12 1yla s PRO 63 Cb -0.22 -2.45 1.63 0.00 0.04 0.00 0.00 34.50 33.50 1yla s PRO 63 CO 0.28 0.01 2.13 0.93 0.04 0.00 0.00 177.00 180.39 1yla h GLU 64 N 1.30 0.00 -0.05 4.56 4.39 -1.98 -0.13 114.58 122.67 1yla h GLU 64 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1yla h GLU 64 Cb 1.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 1yla h GLU 64 CO 0.64 0.00 0.00 0.25 -1.16 0.00 0.00 179.01 178.74 1yla n THR 65 N -3.92 0.06 -1.67 1.13 -2.24 -1.26 -4.72 114.28 101.66 1yla n THR 65 Ca 0.01 -0.21 -0.41 0.00 -2.27 0.00 0.00 64.05 61.17 1yla n THR 65 Cb 0.28 0.23 0.02 0.00 -2.10 0.00 0.00 70.33 68.76 1yla n THR 65 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yla n TYR 66 N -0.06 1.72 0.37 4.78 9.36 -0.06 -0.59 117.16 132.68 1yla n TYR 66 Ca 0.19 0.51 0.06 0.00 3.32 0.00 0.00 57.90 61.98 1yla n TYR 66 Cb 0.28 -2.31 0.21 0.00 -0.63 0.00 0.00 39.34 36.89 1yla n TYR 66 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1yla n PRO 67 N -0.07 2.45 0.00 2.98 -0.04 -1.26 -4.06 135.00 135.00 1yla n PRO 67 Ca 0.08 -1.64 0.14 0.00 -0.04 0.00 0.00 63.50 62.04 1yla n PRO 67 Cb 0.40 -1.56 0.66 0.00 -0.04 0.00 0.00 33.50 32.97 1yla n PRO 67 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1yla n PHE 68 N 0.61 0.00 -4.02 0.54 0.99 0.24 -4.00 117.46 111.82 1yla n PHE 68 Ca 0.15 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.50 1yla n PHE 68 Cb 0.52 -0.38 -0.11 0.00 -1.00 0.00 0.00 39.48 38.51 1yla n PHE 68 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.76 175.96 1yla s ASN 69 N -2.79 0.51 0.64 4.37 -0.87 -1.22 -4.89 114.94 110.69 1yla s ASN 69 Ca 0.21 -0.56 -0.14 0.00 -1.57 0.00 0.00 52.86 50.80 1yla s ASN 69 Cb 0.20 0.08 -0.02 0.00 -0.02 0.00 0.00 41.25 41.49 1yla s ASN 69 CO 0.51 -0.28 1.06 -2.16 -2.57 0.00 0.00 177.10 173.65 1yla s PRO 70 N -1.70 3.12 0.71 -0.60 0.04 -1.26 -4.45 135.00 130.86 1yla s PRO 70 Ca -0.12 1.11 -0.11 0.00 0.04 0.00 0.00 61.00 61.92 1yla s PRO 70 Cb -0.09 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.46 1yla s PRO 70 CO -0.01 -0.96 1.06 -1.25 0.04 0.00 0.00 177.00 175.88 1yla s PRO 71 N -4.47 2.85 -0.55 0.56 0.04 -1.26 -4.66 135.00 127.51 1yla s PRO 71 Ca 0.61 0.91 -0.18 0.00 0.04 0.00 0.00 61.00 62.39 1yla s PRO 71 Cb -0.15 -1.98 0.10 0.00 0.04 0.00 0.00 34.50 32.50 1yla s PRO 71 CO 0.45 -1.15 0.59 0.15 0.04 0.00 0.00 177.00 177.08 1yla s LYS 72 N -5.06 3.03 -0.11 4.56 1.02 -0.27 -4.91 119.74 118.00 1yla s LYS 72 Ca 0.58 -1.35 -0.05 0.00 0.02 0.00 0.00 55.97 55.18 1yla s LYS 72 Cb -0.14 -4.23 -0.04 0.00 -0.52 0.00 0.00 37.83 32.91 1yla s LYS 72 CO 0.55 -1.36 0.06 0.08 -0.92 0.00 0.00 175.35 173.76 1yla s VAL 73 N 2.25 4.80 -0.05 3.17 1.01 -1.26 -1.74 120.40 128.58 1yla s VAL 73 Ca 0.09 -0.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.93 1yla s VAL 73 Cb -0.25 -3.07 0.02 0.00 0.00 0.00 0.00 36.38 33.08 1yla s VAL 73 CO 0.06 0.59 0.20 -0.60 0.00 0.00 0.00 175.10 175.36 1yla s ARG 74 N -0.73 0.38 0.03 2.72 3.52 -0.91 -4.23 118.95 119.74 1yla s ARG 74 Ca 0.12 0.01 -0.30 0.00 -0.13 0.00 0.00 55.73 55.43 1yla s ARG 74 Cb -0.12 0.17 -0.04 0.00 -1.56 0.00 0.00 34.95 33.40 1yla s ARG 74 CO 0.03 -0.08 1.02 -0.06 -0.81 0.00 0.00 175.30 175.40 1yla s PHE 75 N -0.55 3.63 -0.09 5.12 0.08 -0.11 -0.71 117.98 125.35 1yla s PHE 75 Ca -0.06 1.63 0.03 0.00 0.12 0.00 0.00 56.93 58.65 1yla s PHE 75 Cb -0.04 -3.17 -0.24 0.00 -0.57 0.00 0.00 43.02 38.99 1yla s PHE 75 CO 0.01 -0.24 0.47 -0.89 -0.10 0.00 0.00 175.22 174.47 1yla n ILE 76 N 3.73 1.69 -3.07 0.64 5.41 -0.11 -4.46 119.36 123.18 1yla n ILE 76 Ca 0.06 -0.72 -0.40 0.00 1.00 0.00 0.00 62.75 62.68 1yla n ILE 76 Cb 0.50 -1.38 -0.06 0.00 -0.71 0.00 0.00 39.64 37.99 1yla n ILE 76 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1yla s THR 77 N -2.57 4.98 0.26 1.39 2.01 -1.19 -4.97 115.64 115.54 1yla s THR 77 Ca -0.14 1.25 -0.31 0.00 0.31 0.00 0.00 61.69 62.80 1yla s THR 77 Cb 0.07 -3.98 -0.12 0.00 0.01 0.00 0.00 72.50 68.48 1yla s THR 77 CO 0.79 0.06 1.55 0.29 -0.69 0.00 0.00 174.62 176.63 1yla n LYS 78 N 5.32 2.46 -3.94 4.92 5.02 -1.26 -4.85 118.16 125.83 1yla n LYS 78 Ca 0.00 0.88 -0.10 0.00 -2.02 0.00 0.00 58.31 57.07 1yla n LYS 78 Cb 0.49 -2.63 -0.12 0.00 -0.02 0.00 0.00 35.03 32.76 1yla n LYS 78 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 1yla s ILE 79 N 0.17 0.08 -0.52 -0.18 2.07 -1.26 -4.70 121.20 116.86 1yla s ILE 79 Ca 0.68 -0.65 -0.10 0.00 -1.41 0.00 0.00 60.65 59.17 1yla s ILE 79 Cb -0.56 -0.22 0.13 0.00 0.13 0.00 0.00 42.46 41.95 1yla s ILE 79 CO 0.46 -0.36 0.41 0.86 -1.91 0.00 0.00 174.94 174.40 1yla s TRP 80 N -1.06 3.43 -0.04 3.50 -0.11 -1.26 -4.29 118.94 119.10 1yla s TRP 80 Ca -0.12 -1.86 -0.11 0.00 1.22 0.00 0.00 56.10 55.23 1yla s TRP 80 Cb -0.07 -3.55 0.02 0.00 -1.50 0.00 0.00 33.47 28.37 1yla s TRP 80 CO -0.00 -0.99 0.26 -1.58 -4.62 0.00 0.00 176.95 170.02 1yla s HIS 81 N 1.21 -0.18 0.27 5.86 2.46 -1.26 -4.69 115.29 118.96 1yla s HIS 81 Ca 0.07 0.37 -0.01 0.00 0.47 0.00 0.00 55.06 55.95 1yla s HIS 81 Cb -0.25 0.07 0.46 0.00 -0.13 0.00 0.00 32.58 32.73 1yla s HIS 81 CO -0.01 -0.28 1.86 -1.35 -2.47 0.00 0.00 174.74 172.49 1yla h PRO 82 N 4.64 1.04 -0.60 2.88 0.11 -1.87 -2.67 132.00 135.53 1yla h PRO 82 Ca -0.28 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1yla h PRO 82 Cb 1.19 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1yla h PRO 82 CO 0.37 0.69 0.00 0.09 -0.21 0.00 0.00 178.00 178.94 1yla n ASN 83 N -4.57 3.51 -3.88 -2.05 4.13 -1.26 -0.97 115.26 110.16 1yla n ASN 83 Ca 0.17 -2.21 -0.23 0.00 1.68 0.00 0.00 54.58 53.99 1yla n ASN 83 Cb 0.26 -0.46 -0.17 0.00 -1.54 0.00 0.00 39.78 37.88 1yla n ASN 83 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1yla s ILE 84 N -1.56 0.68 -0.12 2.41 1.01 -1.01 -0.79 121.20 121.82 1yla s ILE 84 Ca 0.39 -0.14 -0.32 0.00 0.00 0.00 0.00 60.65 60.58 1yla s ILE 84 Cb 0.23 -0.72 -0.10 0.00 0.01 0.00 0.00 42.46 41.89 1yla s ILE 84 CO 0.22 0.28 2.01 -0.24 0.00 0.00 0.00 174.94 177.21 1yla n SER 85 N 4.46 3.41 0.00 3.58 2.88 -0.60 -4.28 113.62 123.08 1yla n SER 85 Ca -0.18 0.74 0.06 0.00 -1.33 0.00 0.00 58.87 58.17 1yla n SER 85 Cb 0.51 -1.43 0.33 0.00 -0.75 0.00 0.00 64.21 62.88 1yla n SER 85 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1yla n SER 86 N 8.19 0.00 -0.09 -3.46 3.41 -1.26 -1.06 113.62 119.35 1yla n SER 86 Ca 0.26 0.03 -0.19 0.00 -0.26 0.00 0.00 58.87 58.71 1yla n SER 86 Cb 0.34 -0.24 -0.06 0.00 -0.26 0.00 0.00 64.21 63.98 1yla n SER 86 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1yla n VAL 87 N -1.24 1.02 0.35 -3.33 0.31 -1.26 -4.79 118.33 109.38 1yla n VAL 87 Ca 0.07 -0.22 0.08 0.00 -0.01 0.00 0.00 64.34 64.26 1yla n VAL 87 Cb 0.09 -1.77 -0.12 0.00 -0.91 0.00 0.00 33.84 31.14 1yla n VAL 87 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1yla n THR 88 N -3.83 0.00 -0.82 2.52 -2.24 -1.23 -4.99 114.28 103.69 1yla n THR 88 Ca -0.34 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1yla n THR 88 Cb 0.72 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.46 1yla n THR 88 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yla n GLY 89 N 1.47 0.65 3.72 3.38 0.00 -0.22 -4.67 105.19 109.52 1yla n GLY 89 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1yla n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yla n ALA 90 N 0.46 1.24 -3.17 4.61 0.00 -1.26 -0.93 120.51 121.46 1yla n ALA 90 Ca 0.00 0.05 -0.33 0.00 0.00 0.00 0.00 53.44 53.15 1yla n ALA 90 Cb 0.00 -2.32 -0.14 0.00 0.00 0.00 0.00 19.45 16.99 1yla n ALA 90 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1yla s ILE 91 N -1.36 3.26 -0.45 0.00 1.01 -1.26 -1.55 121.20 120.84 1yla s ILE 91 Ca 0.78 -0.57 -0.12 0.00 0.00 0.00 0.00 60.65 60.73 1yla s ILE 91 Cb -0.40 -2.41 0.08 0.00 0.01 0.00 0.00 42.46 39.75 1yla s ILE 91 CO 0.44 0.50 0.34 0.00 0.00 0.00 0.00 174.94 176.22 1yla s LEU 93 N 1.53 0.15 0.02 0.00 2.96 -1.26 -4.85 118.68 117.22 1yla s LEU 93 Ca 0.04 0.88 -0.04 0.00 -0.22 0.00 0.00 54.13 54.79 1yla s LEU 93 Cb -0.24 1.70 -0.01 0.00 0.50 0.00 0.00 46.19 48.14 1yla s LEU 93 CO 0.04 -0.23 0.70 -0.67 -1.32 0.00 0.00 176.35 174.88 1yla n ASP 94 N 2.54 -0.12 0.24 3.68 4.64 -1.26 -2.03 116.55 124.25 1yla n ASP 94 Ca -0.15 0.73 0.17 0.00 -1.38 0.00 0.00 54.79 54.16 1yla n ASP 94 Cb 0.57 -0.29 0.77 0.00 -1.04 0.00 0.00 41.12 41.13 1yla n ASP 94 CO 0.00 0.00 0.00 0.16 -0.82 0.00 0.00 177.20 176.54 1yla h ILE 95 N 0.00 0.00 -0.00 5.18 3.07 -1.96 -1.66 117.51 122.14 1yla h ILE 95 Ca 0.02 -0.24 0.00 0.00 1.55 0.00 0.00 64.86 66.19 1yla h ILE 95 Cb 0.05 1.10 0.00 0.00 -0.27 0.00 0.00 36.82 37.70 1yla h ILE 95 CO -0.11 0.00 -0.24 0.18 -1.05 0.00 0.00 178.15 176.93 1yla n LEU 96 N -2.78 0.67 0.00 0.16 4.77 -0.86 -3.52 117.00 115.44 1yla n LEU 96 Ca -0.00 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1yla n LEU 96 Cb 0.19 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 1yla n LEU 96 CO 0.21 0.13 0.00 2.29 -1.33 0.00 0.00 177.39 178.69 1yla n LYS 97 N -0.98 0.00 0.00 3.23 2.85 -0.99 -4.85 118.16 117.42 1yla n LYS 97 Ca 0.11 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.48 1yla n LYS 97 Cb 0.32 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.64 1yla n LYS 97 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1yla n ASP 98 N 0.00 1.45 -1.45 -5.58 5.75 -1.13 -4.38 116.55 111.22 1yla n ASP 98 Ca 0.00 -1.22 0.06 0.00 -0.01 0.00 0.00 54.79 53.62 1yla n ASP 98 Cb 0.00 0.75 0.33 0.00 -1.03 0.00 0.00 41.12 41.17 1yla n ASP 98 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1yla n GLN 99 N -0.84 3.82 -2.47 0.11 1.13 -0.66 -4.99 117.38 113.49 1yla n GLN 99 Ca 0.06 -3.02 -0.37 0.00 -1.94 0.00 0.00 57.00 51.72 1yla n GLN 99 Cb 0.39 -2.07 -0.03 0.00 0.11 0.00 0.00 30.24 28.64 1yla n GLN 99 CO 0.00 0.00 0.00 -0.46 -1.44 0.00 0.00 177.06 175.16 1yla s TRP 100 N -2.84 3.25 0.03 1.08 -0.11 -1.23 -4.50 118.94 114.62 1yla s TRP 100 Ca 0.49 1.63 0.05 0.00 1.22 0.00 0.00 56.10 59.49 1yla s TRP 100 Cb 0.39 -3.22 -0.02 0.00 -1.50 0.00 0.00 33.47 29.12 1yla s TRP 100 CO 0.12 -0.80 -0.14 0.00 -4.62 0.00 0.00 176.95 171.51 1yla s ALA 101 N -1.53 1.15 0.29 5.86 0.00 -1.26 -5.00 121.76 121.27 1yla s ALA 101 Ca 0.56 -0.78 0.27 0.00 0.00 0.00 0.00 51.96 52.01 1yla s ALA 101 Cb -0.26 -0.20 1.47 0.00 0.00 0.00 0.00 23.12 24.14 1yla s ALA 101 CO 0.32 0.23 1.81 0.00 0.00 0.00 0.00 175.76 178.11 1yla h ALA 102 N 5.09 1.14 0.00 0.00 0.00 -1.91 -1.11 119.26 122.48 1yla h ALA 102 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1yla h ALA 102 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1yla h ALA 102 CO 0.45 -0.14 -0.32 0.00 0.00 0.00 0.00 179.25 179.23 1yla h ALA 103 N 1.62 0.81 -2.43 0.00 0.00 -1.95 -3.47 119.26 113.83 1yla h ALA 103 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 1yla h ALA 103 Cb 0.33 0.00 0.12 0.00 0.00 0.00 0.00 17.79 18.24 1yla h ALA 103 CO 0.00 0.00 0.35 -1.64 0.00 0.00 0.00 179.25 177.96 1yla s MET 104 N -3.19 2.50 0.41 0.00 -1.94 -0.42 -5.05 119.30 111.61 1yla s MET 104 Ca 0.07 1.38 0.04 0.00 -1.71 0.00 0.00 55.69 55.47 1yla s MET 104 Cb 0.10 -1.91 -0.02 0.00 2.01 0.00 0.00 34.83 35.01 1yla s MET 104 CO 0.68 -1.49 0.13 0.95 -0.01 0.00 0.00 175.02 175.28 1yla s THR 105 N -2.46 0.61 0.17 2.05 -4.23 -1.26 -5.01 115.64 105.50 1yla s THR 105 Ca 0.66 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 59.04 1yla s THR 105 Cb -0.21 -2.35 0.06 0.00 1.34 0.00 0.00 72.50 71.34 1yla s THR 105 CO 0.46 0.00 1.76 -0.07 -0.54 0.00 0.00 174.62 176.23 1yla h LEU 106 N 1.79 0.71 -0.17 4.79 3.38 -1.96 -1.40 115.31 122.45 1yla h LEU 106 Ca -0.35 -0.12 0.03 0.00 0.09 0.00 0.00 57.88 57.52 1yla h LEU 106 Cb 1.27 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1yla h LEU 106 CO 0.57 0.63 0.01 -0.09 0.09 0.00 0.00 178.44 179.65 1yla h ARG 107 N 0.74 0.07 -0.69 1.13 2.43 -1.96 -1.26 114.38 114.84 1yla h ARG 107 Ca 0.19 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.31 1yla h ARG 107 Cb 0.10 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 1yla h ARG 107 CO -0.03 0.05 0.25 1.15 -1.51 0.00 0.00 179.97 179.88 1yla h THR 108 N 0.07 1.24 -0.32 0.20 2.02 -1.91 -1.49 112.91 112.72 1yla h THR 108 Ca 0.08 -0.80 -0.01 0.00 0.77 0.00 0.00 66.41 66.45 1yla h THR 108 Cb 0.09 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1yla h THR 108 CO -0.12 0.32 0.15 0.58 0.37 0.00 0.00 175.52 176.81 1yla h VAL 109 N 1.01 1.16 -0.62 3.16 2.07 -0.95 0.90 116.25 122.99 1yla h VAL 109 Ca 0.23 -0.48 -0.01 0.00 0.82 0.00 0.00 66.70 67.26 1yla h VAL 109 Cb 0.23 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1yla h VAL 109 CO -0.02 0.17 0.32 -0.07 0.02 0.00 0.00 177.57 178.00 1yla h LEU 110 N 0.38 0.77 -0.24 2.57 -0.00 -0.86 -1.03 115.31 116.90 1yla h LEU 110 Ca 0.11 -0.06 -0.19 0.00 -0.00 0.00 0.00 57.88 57.74 1yla h LEU 110 Cb 0.13 -0.20 -0.02 0.00 -0.00 0.00 0.00 40.66 40.58 1yla h LEU 110 CO -0.01 0.63 -0.89 -0.07 -0.00 0.00 0.00 178.44 178.10 1yla h LEU 111 N 0.86 0.06 -0.46 1.67 3.38 -1.01 -2.00 115.31 117.82 1yla h LEU 111 Ca 0.22 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.98 1yla h LEU 111 Cb 0.05 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1yla h LEU 111 CO -0.03 0.92 -0.43 0.28 0.09 0.00 0.00 178.44 179.27 1yla h SER 112 N 0.02 0.87 -0.43 -0.43 0.02 -0.40 0.25 113.55 113.45 1yla h SER 112 Ca -0.02 -0.41 -0.09 0.00 -0.84 0.00 0.00 61.79 60.43 1yla h SER 112 Cb 1.56 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.84 1yla h SER 112 CO 0.12 1.17 -0.08 -0.07 -1.14 0.00 0.00 176.83 176.83 1yla h LEU 113 N 0.65 0.82 -1.23 5.07 3.38 -1.17 0.58 115.31 123.41 1yla h LEU 113 Ca 0.05 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.61 1yla h LEU 113 Cb 1.00 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1yla h LEU 113 CO 0.10 0.98 -0.09 -0.61 0.09 0.00 0.00 178.44 178.90 1yla h GLN 114 N 0.65 0.42 -0.36 1.13 4.15 -1.19 -2.46 115.11 117.45 1yla h GLN 114 Ca 0.11 -0.10 -0.15 0.00 0.77 0.00 0.00 58.65 59.28 1yla h GLN 114 Cb 0.61 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.24 1yla h GLN 114 CO 0.04 0.52 -0.37 0.00 -1.93 0.00 0.00 178.83 177.08 1yla h ALA 115 N 1.52 0.52 -0.55 3.38 0.00 -0.46 -3.04 119.26 120.63 1yla h ALA 115 Ca 0.08 -0.45 0.05 0.00 0.00 0.00 0.00 54.91 54.59 1yla h ALA 115 Cb 0.41 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1yla h ALA 115 CO 0.02 0.62 0.36 1.25 0.00 0.00 0.00 179.25 181.50 1yla h LEU 116 N 0.68 0.49 -1.07 0.00 5.85 -0.46 0.19 115.31 121.00 1yla h LEU 116 Ca 0.05 -0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.68 1yla h LEU 116 Cb 0.97 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1yla h LEU 116 CO 0.09 0.33 -0.43 -0.07 -0.34 0.00 0.00 178.44 178.03 1yla h LEU 117 N 0.57 0.08 0.00 2.25 3.38 -1.35 -2.93 115.31 117.31 1yla h LEU 117 Ca 0.23 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1yla h LEU 117 Cb 0.19 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1yla h LEU 117 CO -0.06 0.50 -0.26 0.00 0.09 0.00 0.00 178.44 178.70 1yla h ALA 118 N 1.51 0.85 -1.63 1.53 0.00 -0.97 -3.42 119.26 117.13 1yla h ALA 118 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 1yla h ALA 118 Cb 0.78 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 18.30 1yla h ALA 118 CO 0.06 0.00 -0.60 0.00 0.00 0.00 0.00 179.25 178.71 1yla s ALA 119 N -3.21 -1.11 0.73 0.00 0.00 -0.41 -5.09 121.76 112.67 1yla s ALA 119 Ca 0.06 -0.46 -0.11 0.00 0.00 0.00 0.00 51.96 51.46 1yla s ALA 119 Cb 0.09 -2.26 0.03 0.00 0.00 0.00 0.00 23.12 20.97 1yla s ALA 119 CO 0.68 -2.11 1.07 0.00 0.00 0.00 0.00 175.76 175.40 1yla s ALA 120 N 1.71 2.49 -0.57 0.00 0.00 -1.19 -4.59 121.76 119.61 1yla s ALA 120 Ca 0.16 0.07 0.05 0.00 0.00 0.00 0.00 51.96 52.24 1yla s ALA 120 Cb -0.12 -3.19 0.19 0.00 0.00 0.00 0.00 23.12 20.01 1yla s ALA 120 CO -0.08 -1.45 0.49 -1.91 0.00 0.00 0.00 175.76 172.81 1yla n GLU 121 N -3.28 1.29 0.00 0.00 2.13 -1.26 -4.97 120.64 114.55 1yla n GLU 121 Ca 0.08 -3.96 0.00 0.00 0.66 0.00 0.00 57.16 53.93 1yla n GLU 121 Cb 0.54 -1.97 0.00 0.00 0.27 0.00 0.00 31.44 30.28 1yla n GLU 121 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1yla n PRO 122 N 2.01 0.00 -0.13 5.31 -0.04 -1.26 -1.29 135.00 139.61 1yla n PRO 122 Ca 0.25 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.82 1yla n PRO 122 Cb 0.42 -1.39 0.17 0.00 -0.04 0.00 0.00 33.50 32.66 1yla n PRO 122 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1yla n ASP 123 N -0.87 3.25 -2.79 3.54 10.43 -1.26 -4.14 116.55 124.71 1yla n ASP 123 Ca 0.00 -1.96 -0.10 0.00 2.57 0.00 0.00 54.79 55.29 1yla n ASP 123 Cb 0.00 -0.17 0.05 0.00 1.84 0.00 0.00 41.12 42.84 1yla n ASP 123 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1yla n ASP 124 N 1.38 0.03 -4.86 -2.24 4.64 -0.41 -5.14 116.55 109.95 1yla n ASP 124 Ca 0.17 -2.83 -0.30 0.00 -1.38 0.00 0.00 54.79 50.45 1yla n ASP 124 Cb 0.58 0.13 0.07 0.00 -1.04 0.00 0.00 41.12 40.87 1yla n ASP 124 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 1yla s PRO 125 N -1.75 2.32 -0.12 -0.67 0.04 -1.24 -4.78 135.00 128.80 1yla s PRO 125 Ca 0.28 0.40 0.07 0.00 0.04 0.00 0.00 61.00 61.78 1yla s PRO 125 Cb 0.40 -1.97 -0.12 0.00 0.04 0.00 0.00 34.50 32.85 1yla s PRO 125 CO -0.03 -1.40 -0.02 0.94 0.04 0.00 0.00 177.00 176.53 1yla n GLN 126 N -3.24 1.51 -3.98 4.56 -0.06 -0.15 -4.89 117.38 111.14 1yla n GLN 126 Ca 0.07 0.03 -0.34 0.00 -2.00 0.00 0.00 57.00 54.76 1yla n GLN 126 Cb 0.58 -1.29 -0.14 0.00 -4.06 0.00 0.00 30.24 25.33 1yla n GLN 126 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1yla s ASP 127 N -4.76 4.71 0.21 1.69 -1.08 -0.80 -4.69 116.67 111.96 1yla s ASP 127 Ca -0.11 -1.38 -0.08 0.00 -0.52 0.00 0.00 52.55 50.47 1yla s ASP 127 Cb 0.04 -1.64 0.15 0.00 -1.46 0.00 0.00 42.92 40.01 1yla s ASP 127 CO 0.42 -0.24 1.78 0.00 0.52 0.00 0.00 175.17 177.65 1yla h ALA 128 N 7.89 1.02 -0.38 3.66 0.00 -1.90 0.23 119.26 129.78 1yla h ALA 128 Ca -0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1yla h ALA 128 Cb 1.05 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1yla h ALA 128 CO 0.51 0.64 0.18 0.28 0.00 0.00 0.00 179.25 180.86 1yla h VAL 129 N 1.14 1.17 -0.15 0.00 2.07 -1.96 0.13 116.25 118.65 1yla h VAL 129 Ca 0.26 -0.48 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 1yla h VAL 129 Cb 0.20 0.78 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1yla h VAL 129 CO -0.02 0.18 -0.12 0.58 0.02 0.00 0.00 177.57 178.21 1yla h VAL 130 N 0.48 1.34 -0.51 2.57 2.07 -1.85 -1.73 116.25 118.62 1yla h VAL 130 Ca 0.13 -1.24 0.09 0.00 0.82 0.00 0.00 66.70 66.50 1yla h VAL 130 Cb 0.12 1.83 -0.07 0.00 -1.52 0.00 0.00 31.29 31.65 1yla h VAL 130 CO -0.02 0.36 0.11 0.00 0.02 0.00 0.00 177.57 178.04 1yla h ALA 131 N 0.63 0.58 0.15 1.67 0.00 -0.39 0.00 119.26 121.90 1yla h ALA 131 Ca 0.03 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1yla h ALA 131 Cb 0.63 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1yla h ALA 131 CO 0.03 -0.30 -0.07 -0.97 0.00 0.00 0.00 179.25 177.94 1yla h ASN 132 N 0.25 -0.17 -0.76 0.00 -1.24 -0.95 -2.15 115.58 110.56 1yla h ASN 132 Ca 0.26 -0.14 0.10 0.00 0.71 0.00 0.00 56.30 57.23 1yla h ASN 132 Cb 0.34 0.04 -0.05 0.00 0.73 0.00 0.00 38.32 39.38 1yla h ASN 132 CO -0.33 0.04 0.50 -0.61 -1.29 0.00 0.00 177.43 175.74 1yla h GLN 133 N -0.37 0.64 -0.75 6.67 4.15 -1.02 0.47 115.11 124.89 1yla h GLN 133 Ca -0.02 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.37 1yla h GLN 133 Cb 0.30 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.81 1yla h GLN 133 CO 0.03 0.42 0.50 -0.92 -1.93 0.00 0.00 178.83 176.93 1yla h TYR 134 N 0.66 0.94 0.08 3.99 5.03 -0.66 0.49 116.97 127.49 1yla h TYR 134 Ca 0.35 0.02 -0.19 0.00 2.58 0.00 0.00 58.73 61.50 1yla h TYR 134 Cb 0.49 -0.32 -0.00 0.00 1.55 0.00 0.00 36.73 38.45 1yla h TYR 134 CO -0.00 0.59 -0.95 0.87 -1.32 0.00 0.00 178.16 177.35 1yla h LYS 135 N 1.01 0.16 -0.10 1.82 1.57 -0.53 -3.32 116.57 117.19 1yla h LYS 135 Ca 0.28 -0.27 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1yla h LYS 135 Cb -0.11 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1yla h LYS 135 CO -0.06 1.13 -0.31 1.96 -0.57 0.00 0.00 179.45 181.60 1yla h GLN 136 N -0.59 0.38 -2.69 3.15 7.50 -0.16 -3.40 115.11 119.29 1yla h GLN 136 Ca -0.21 -0.28 -0.60 0.00 0.50 0.00 0.00 58.65 58.06 1yla h GLN 136 Cb 1.49 0.05 -0.40 0.00 0.05 0.00 0.00 27.48 28.67 1yla h GLN 136 CO 0.02 0.90 -0.81 1.21 -1.50 0.00 0.00 178.83 178.65 1yla s ASN 137 N -6.38 2.89 0.44 1.46 3.84 0.16 -4.98 114.94 112.38 1yla s ASN 137 Ca -0.14 -3.16 0.13 0.00 0.21 0.00 0.00 52.86 49.90 1yla s ASN 137 Cb 0.04 -0.88 0.98 0.00 -0.55 0.00 0.00 41.25 40.84 1yla s ASN 137 CO 0.78 -0.17 2.00 1.55 -2.79 0.00 0.00 177.10 178.47 1yla h PRO 138 N 5.85 0.11 -0.10 0.43 0.13 -1.65 -1.69 132.00 135.09 1yla h PRO 138 Ca 0.17 -0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 65.10 1yla h PRO 138 Cb 0.87 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.98 1yla h PRO 138 CO 0.48 0.22 -0.71 1.49 -0.23 0.00 0.00 178.00 179.25 1yla h GLU 139 N 0.11 0.45 -0.27 0.86 4.57 -1.91 -1.72 114.58 116.68 1yla h GLU 139 Ca 0.02 -0.36 -0.16 0.00 -1.18 0.00 0.00 59.36 57.68 1yla h GLU 139 Cb 0.25 0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1yla h GLU 139 CO 0.01 0.99 -0.50 1.98 -1.18 0.00 0.00 179.01 180.32 1yla h MET 140 N 0.31 0.74 -0.27 1.92 4.05 -1.85 -2.58 114.93 117.25 1yla h MET 140 Ca -0.03 -0.44 -0.01 0.00 -0.28 0.00 0.00 59.70 58.95 1yla h MET 140 Cb 1.28 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 32.11 1yla h MET 140 CO 0.12 1.06 0.15 0.35 0.23 0.00 0.00 176.91 178.82 1yla h PHE 141 N 0.58 0.38 -0.75 1.39 3.57 -1.19 0.18 116.94 121.10 1yla h PHE 141 Ca 0.03 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1yla h PHE 141 Cb 1.06 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.65 1yla h PHE 141 CO 0.06 0.32 0.50 0.87 -2.23 0.00 0.00 178.31 177.82 1yla h LYS 142 N 0.32 0.97 0.00 1.11 1.57 -1.25 0.15 116.57 119.44 1yla h LYS 142 Ca 0.10 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.70 1yla h LYS 142 Cb 0.07 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1yla h LYS 142 CO -0.01 0.64 -0.55 1.96 -0.57 0.00 0.00 179.45 180.92 1yla h GLN 143 N 1.00 0.00 0.26 3.15 1.08 -1.13 -1.73 115.11 117.74 1yla h GLN 143 Ca 0.28 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 57.14 1yla h GLN 143 Cb -0.09 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 27.38 1yla h GLN 143 CO -0.06 0.55 -1.50 1.15 -0.95 0.00 0.00 178.83 178.02 1yla h THR 144 N 0.00 1.27 -0.56 -0.54 2.02 -0.51 -1.86 112.91 112.73 1yla h THR 144 Ca -0.01 -2.70 -0.07 0.00 0.77 0.00 0.00 66.41 64.41 1yla h THR 144 Cb 1.38 3.04 -0.02 0.00 -1.74 0.00 0.00 68.15 70.81 1yla h THR 144 CO 0.07 0.81 0.10 0.00 0.37 0.00 0.00 175.52 176.87 1yla h ALA 145 N 0.15 0.75 0.00 6.16 0.00 -0.76 0.60 119.26 126.16 1yla h ALA 145 Ca -0.26 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 1yla h ALA 145 Cb 2.18 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 1yla h ALA 145 CO 0.28 0.49 -0.32 0.00 0.00 0.00 0.00 179.25 179.70 1yla h ARG 146 N 0.83 0.00 0.01 0.00 3.08 -1.36 -0.93 114.38 116.00 1yla h ARG 146 Ca 0.17 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.06 1yla h ARG 146 Cb 0.40 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.47 1yla h ARG 146 CO 0.01 0.32 -0.65 1.25 -1.07 0.00 0.00 179.97 179.83 1yla h LEU 147 N 0.00 0.56 -1.78 3.04 5.85 -0.81 -2.68 115.31 119.48 1yla h LEU 147 Ca -0.00 -0.77 -0.03 0.00 0.84 0.00 0.00 57.88 57.92 1yla h LEU 147 Cb 0.66 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 1yla h LEU 147 CO 0.04 1.26 -0.16 -0.50 -0.34 0.00 0.00 178.44 178.74 1yla h TRP 148 N -0.08 0.00 0.03 1.25 4.06 -0.69 -1.40 115.95 119.13 1yla h TRP 148 Ca -0.08 0.00 -0.23 0.00 2.06 0.00 0.00 58.89 60.64 1yla h TRP 148 Cb 1.36 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.52 1yla h TRP 148 CO 0.15 0.16 -1.00 0.00 -3.56 0.00 0.00 178.44 174.19 1yla h ALA 149 N 1.84 0.34 -0.11 1.49 0.00 -1.14 -1.81 119.26 119.88 1yla h ALA 149 Ca -0.00 -0.76 -0.22 0.00 0.00 0.00 0.00 54.91 53.93 1yla h ALA 149 Cb 0.35 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1yla h ALA 149 CO 0.02 0.89 -0.78 1.25 0.00 0.00 0.00 179.25 180.63 1yla h HIS 150 N 0.15 0.99 -0.26 0.00 -0.00 -1.10 0.96 115.15 115.88 1yla h HIS 150 Ca -0.08 -0.46 -0.16 0.00 -0.00 0.00 0.00 60.37 59.66 1yla h HIS 150 Cb 1.66 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 28.92 1yla h HIS 150 CO 0.05 1.29 -0.48 0.28 -0.00 0.00 0.00 177.93 179.07 1yla h VAL 151 N 0.41 1.29 0.00 5.26 2.07 -1.32 -3.22 116.25 120.75 1yla h VAL 151 Ca -0.07 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 65.78 1yla h VAL 151 Cb 1.42 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.90 1yla h VAL 151 CO 0.16 0.54 -1.44 -1.22 0.02 0.00 0.00 177.57 175.63 1yla n TYR 152 N -4.11 0.00 0.45 1.57 4.02 -0.68 -4.72 117.16 113.69 1yla n TYR 152 Ca -0.05 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.90 1yla n TYR 152 Cb 0.59 -0.23 -0.07 0.00 -0.02 0.00 0.00 39.34 39.61 1yla n TYR 152 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1yla n ALA 153 N -1.84 3.34 -0.99 -0.72 0.00 -0.43 -4.78 120.51 115.09 1yla n ALA 153 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1yla n ALA 153 Cb 0.26 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.28 1yla n ALA 153 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yla n GLY 154 N 1.38 0.67 3.86 0.00 0.00 0.20 -1.34 105.19 109.95 1yla n GLY 154 Ca 0.01 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 45.00 1yla n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yla s ALA 155 N -2.00 2.98 0.95 4.61 0.00 -0.61 -4.58 121.76 123.11 1yla s ALA 155 Ca 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 51.96 51.76 1yla s ALA 155 Cb 0.00 -3.10 0.01 0.00 0.00 0.00 0.00 23.12 20.03 1yla s ALA 155 CO 0.00 -0.86 0.22 -2.30 0.00 0.00 0.00 175.76 172.82 1yla n PRO 156 N -2.86 -0.23 -0.60 0.00 -0.02 -1.26 -4.14 135.00 125.89 1yla n PRO 156 Ca 0.06 -0.03 -0.31 0.00 -2.02 0.00 0.00 63.50 61.20 1yla n PRO 156 Cb 0.54 -1.72 0.20 0.00 -0.02 0.00 0.00 33.50 32.50 1yla n PRO 156 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1yla n VAL 157 N -3.39 0.00 -3.36 -1.45 0.24 -1.26 -4.49 118.33 104.62 1yla n VAL 157 Ca 0.05 -0.36 0.03 0.00 -2.04 0.00 0.00 64.34 62.02 1yla n VAL 157 Cb 0.54 -0.74 -0.05 0.00 -1.47 0.00 0.00 33.84 32.12 1yla n VAL 157 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1yla s SER 158 N -2.03 -0.16 -0.01 -1.34 0.15 -1.26 -5.01 113.70 104.03 1yla s SER 158 Ca 0.60 0.23 -0.00 0.00 0.70 0.00 0.00 55.95 57.49 1yla s SER 158 Cb -0.17 1.15 0.00 0.00 -1.71 0.00 0.00 66.02 65.30 1yla s SER 158 CO 0.66 -0.03 0.01 -1.20 1.20 0.00 0.00 173.24 173.88 1yla n SER 159 N 4.19 -2.20 0.06 5.45 7.64 -1.26 -4.66 113.62 122.84 1yla n SER 159 Ca -0.10 0.03 0.04 0.00 1.01 0.00 0.00 58.87 59.85 1yla n SER 159 Cb 0.55 -1.15 0.46 0.00 -1.01 0.00 0.00 64.21 63.07 1yla n SER 159 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1yla h PRO 160 N 0.08 0.41 -0.27 1.43 0.11 -1.99 -1.99 132.00 129.78 1yla h PRO 160 Ca 0.00 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.04 1yla h PRO 160 Cb 0.02 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 1yla h PRO 160 CO 0.01 0.30 0.04 1.49 -0.21 0.00 0.00 178.00 179.62 1yla h GLU 161 N 0.42 0.46 -0.48 1.05 4.81 -2.00 -2.11 114.58 116.73 1yla h GLU 161 Ca 0.11 -0.13 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1yla h GLU 161 Cb -0.00 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 1yla h GLU 161 CO -0.02 0.59 0.16 1.88 -0.73 0.00 0.00 179.01 180.89 1yla h TYR 162 N 0.27 0.77 -0.36 0.92 0.05 -1.79 -2.45 116.97 114.38 1yla h TYR 162 Ca 0.08 -0.07 -0.08 0.00 0.05 0.00 0.00 58.73 58.71 1yla h TYR 162 Cb 0.35 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 37.85 1yla h TYR 162 CO 0.02 0.67 -0.11 1.79 -1.05 0.00 0.00 178.16 179.48 1yla h THR 163 N 0.64 1.24 -0.44 -2.88 1.35 -1.36 -1.62 112.91 109.85 1yla h THR 163 Ca 0.16 -1.08 -0.10 0.00 -0.55 0.00 0.00 66.41 64.83 1yla h THR 163 Cb 0.25 1.10 -0.01 0.00 -1.73 0.00 0.00 68.15 67.75 1yla h THR 163 CO -0.01 0.36 -0.13 0.50 -0.25 0.00 0.00 175.52 176.00 1yla h LYS 164 N 0.57 0.86 -0.60 4.72 3.64 -1.21 0.14 116.57 124.69 1yla h LYS 164 Ca 0.10 -0.34 -0.08 0.00 -1.27 0.00 0.00 60.65 59.06 1yla h LYS 164 Cb 0.53 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1yla h LYS 164 CO 0.03 0.98 0.05 0.87 -2.27 0.00 0.00 179.45 179.11 1yla h LYS 165 N 0.69 1.01 -0.18 1.90 1.57 -1.28 -0.49 116.57 119.79 1yla h LYS 165 Ca 0.11 -0.28 -0.03 0.00 -1.87 0.00 0.00 60.65 58.58 1yla h LYS 165 Cb 0.68 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1yla h LYS 165 CO 0.05 0.96 -0.00 0.82 -0.57 0.00 0.00 179.45 180.70 1yla h ILE 166 N 0.93 1.26 -0.95 1.86 2.04 -1.12 -2.54 117.51 118.99 1yla h ILE 166 Ca 0.18 -0.87 0.01 0.00 1.00 0.00 0.00 64.86 65.18 1yla h ILE 166 Cb 0.47 1.48 -0.05 0.00 -0.74 0.00 0.00 36.82 37.98 1yla h ILE 166 CO 0.02 0.26 0.63 -0.33 0.00 0.00 0.00 178.15 178.73 1yla h GLU 167 N 0.07 1.26 -0.66 2.37 5.08 -0.78 -0.82 114.58 121.10 1yla h GLU 167 Ca 0.05 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.27 1yla h GLU 167 Cb 0.39 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 1yla h GLU 167 CO 0.01 0.83 0.17 -0.91 -1.00 0.00 0.00 179.01 178.11 1yla h ASN 168 N 1.29 0.99 0.34 1.42 -0.26 -1.03 0.06 115.58 118.40 1yla h ASN 168 Ca 0.35 -0.23 -0.11 0.00 -0.56 0.00 0.00 56.30 55.75 1yla h ASN 168 Cb -0.15 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 36.84 1yla h ASN 168 CO -0.07 0.96 -0.47 -0.07 -1.06 0.00 0.00 177.43 176.71 1yla h LEU 169 N 0.98 0.17 -0.82 1.61 3.38 -1.02 -2.22 115.31 117.40 1yla h LEU 169 Ca 0.21 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 1yla h LEU 169 Cb 0.35 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1yla h LEU 169 CO 0.00 0.63 -0.49 0.00 0.09 0.00 0.00 178.44 178.67 1yla h ALA 171 N 1.29 1.08 -0.02 0.00 0.00 -0.34 0.42 119.26 121.71 1yla h ALA 171 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1yla h ALA 171 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1yla h ALA 171 CO 0.08 -0.08 -0.22 -1.33 0.00 0.00 0.00 179.25 177.69 1yla n MET 172 N -2.38 1.54 -0.57 0.00 2.00 -0.91 -4.95 117.12 111.86 1yla n MET 172 Ca -0.02 -1.17 0.00 0.00 0.00 0.00 0.00 57.70 56.51 1yla n MET 172 Cb 0.15 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 31.89 1yla n MET 172 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1yla n GLY 173 N 1.35 0.65 3.85 3.03 0.00 0.15 -5.06 105.19 109.16 1yla n GLY 173 Ca 0.13 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 1yla n GLY 173 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yla s PHE 174 N -2.00 3.40 0.26 1.61 0.08 -1.23 -4.99 117.98 115.11 1yla s PHE 174 Ca 0.00 1.29 -0.30 0.00 0.12 0.00 0.00 56.93 58.04 1yla s PHE 174 Cb 0.00 -2.61 -0.11 0.00 -0.57 0.00 0.00 43.02 39.73 1yla s PHE 174 CO 0.00 -0.07 1.54 0.34 -0.10 0.00 0.00 175.22 176.93 1yla s ASP 175 N -2.59 6.50 0.19 1.36 2.15 -1.26 -4.65 116.67 118.37 1yla s ASP 175 Ca 0.56 2.81 -0.12 0.00 0.43 0.00 0.00 52.55 56.22 1yla s ASP 175 Cb -0.10 -2.63 0.11 0.00 -0.30 0.00 0.00 42.92 40.00 1yla s ASP 175 CO 0.22 -0.83 1.86 -0.09 -0.17 0.00 0.00 175.17 176.16 1yla h ARG 176 N 5.16 0.83 0.00 4.34 2.43 -1.96 0.53 114.38 125.70 1yla h ARG 176 Ca -0.46 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 58.57 1yla h ARG 176 Cb 1.22 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.57 1yla h ARG 176 CO 0.80 0.55 -0.44 -0.91 -1.51 0.00 0.00 179.97 178.46 1yla h ASN 177 N 0.85 0.00 -0.16 -3.80 2.35 -1.99 -0.26 115.58 112.58 1yla h ASN 177 Ca 0.23 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 55.78 1yla h ASN 177 Cb -0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.28 1yla h ASN 177 CO -0.05 0.44 -0.66 0.00 -1.65 0.00 0.00 177.43 175.51 1yla h ALA 178 N 1.56 0.43 -0.17 -0.83 0.00 -1.73 -2.35 119.26 116.17 1yla h ALA 178 Ca -0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 1yla h ALA 178 Cb 0.92 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1yla h ALA 178 CO 0.06 0.69 0.07 0.28 0.00 0.00 0.00 179.25 180.34 1yla h VAL 179 N 0.56 1.16 -0.47 0.00 2.07 0.45 -1.82 116.25 118.20 1yla h VAL 179 Ca -0.02 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 67.00 1yla h VAL 179 Cb 1.27 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.18 1yla h VAL 179 CO 0.14 0.15 0.22 0.40 0.02 0.00 0.00 177.57 178.50 1yla h ILE 180 N 0.12 1.19 -0.17 4.57 2.04 -1.06 -1.54 117.51 122.66 1yla h ILE 180 Ca 0.06 -0.56 -0.16 0.00 1.00 0.00 0.00 64.86 65.20 1yla h ILE 180 Cb 0.18 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1yla h ILE 180 CO -0.00 0.22 -0.56 1.62 0.00 0.00 0.00 178.15 179.42 1yla h VAL 181 N 0.62 1.33 0.03 1.67 3.04 -1.43 -0.78 116.25 120.72 1yla h VAL 181 Ca 0.16 -1.82 -0.00 0.00 -1.01 0.00 0.00 66.70 64.03 1yla h VAL 181 Cb 0.14 1.80 0.00 0.00 -2.01 0.00 0.00 31.29 31.22 1yla h VAL 181 CO -0.02 0.56 -0.01 0.00 -1.01 0.00 0.00 177.57 177.09 1yla h ALA 182 N 0.97 -0.03 0.43 3.17 0.00 -1.20 0.39 119.26 122.99 1yla h ALA 182 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1yla h ALA 182 Cb 1.11 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1yla h ALA 182 CO 0.10 -0.48 -0.23 -0.07 0.00 0.00 0.00 179.25 178.57 1yla h LEU 183 N -0.11 -0.57 -0.95 0.00 3.38 -1.26 -0.21 115.31 115.59 1yla h LEU 183 Ca -0.00 0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.11 1yla h LEU 183 Cb 0.10 0.16 -0.08 0.00 0.09 0.00 0.00 40.66 40.93 1yla h LEU 183 CO 0.01 -0.38 0.58 0.28 0.09 0.00 0.00 178.44 179.01 1yla h SER 184 N -0.62 0.84 1.47 -0.43 0.02 -1.03 0.85 113.55 114.65 1yla h SER 184 Ca -0.05 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1yla h SER 184 Cb 0.49 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1yla h SER 184 CO 0.07 0.45 0.00 0.28 -1.14 0.00 0.00 176.83 176.49 1yla h SER 185 N 0.92 0.00 -0.72 3.07 0.02 0.02 -3.27 113.55 113.58 1yla h SER 185 Ca 0.47 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.95 1yla h SER 185 Cb 0.47 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 62.74 1yla h SER 185 CO -0.27 0.00 0.06 0.29 -1.14 0.00 0.00 176.83 175.77 1yla n LYS 186 N -2.78 2.64 -4.33 3.45 4.76 -0.11 -4.92 118.16 116.87 1yla n LYS 186 Ca 0.03 -3.49 -0.38 0.00 -2.87 0.00 0.00 58.31 51.61 1yla n LYS 186 Cb 0.41 -2.13 -0.04 0.00 -1.84 0.00 0.00 35.03 31.43 1yla n LYS 186 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1yla n SER 187 N -0.95 -2.70 -3.57 4.39 7.64 -1.15 -1.20 113.62 116.08 1yla n SER 187 Ca 0.48 -1.09 -0.26 0.00 1.01 0.00 0.00 58.87 59.00 1yla n SER 187 Cb 0.97 -2.37 0.02 0.00 -1.01 0.00 0.00 64.21 61.82 1yla n SER 187 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1yla n TRP 188 N -4.29 -2.13 -3.45 1.43 7.02 0.15 -4.96 117.44 111.21 1yla n TRP 188 Ca 0.07 0.72 -0.42 0.00 -1.02 0.00 0.00 57.50 56.85 1yla n TRP 188 Cb 0.49 -3.86 -0.10 0.00 -2.42 0.00 0.00 31.31 25.42 1yla n TRP 188 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 1yla s ASP 189 N -3.02 6.12 0.16 -0.99 -1.08 -0.34 -4.98 116.67 112.54 1yla s ASP 189 Ca 0.52 -0.55 -0.19 0.00 -0.52 0.00 0.00 52.55 51.81 1yla s ASP 189 Cb -0.26 -2.17 0.08 0.00 -1.46 0.00 0.00 42.92 39.11 1yla s ASP 189 CO 0.64 -0.37 1.64 0.58 0.52 0.00 0.00 175.17 178.18 1yla h VAL 190 N 5.58 0.46 -0.46 1.11 2.07 -1.93 -1.58 116.25 121.51 1yla h VAL 190 Ca -0.29 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.24 1yla h VAL 190 Cb 1.14 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 1yla h VAL 190 CO 0.70 0.00 0.30 -0.08 0.02 0.00 0.00 177.57 178.51 1yla h GLU 191 N -0.12 0.59 -0.27 1.57 4.81 -1.98 0.45 114.58 119.62 1yla h GLU 191 Ca 0.18 -0.04 -0.19 0.00 -0.13 0.00 0.00 59.36 59.19 1yla h GLU 191 Cb 0.40 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1yla h GLU 191 CO -0.44 0.39 -0.58 1.79 -0.73 0.00 0.00 179.01 179.44 1yla h THR 192 N 0.60 1.27 -0.59 0.32 1.35 -1.91 -2.62 112.91 111.34 1yla h THR 192 Ca 0.17 -1.76 -0.09 0.00 -0.55 0.00 0.00 66.41 64.18 1yla h THR 192 Cb -0.05 1.67 -0.02 0.00 -1.73 0.00 0.00 68.15 68.02 1yla h THR 192 CO -0.05 0.57 0.01 0.00 -0.25 0.00 0.00 175.52 175.81 1yla h ALA 193 N 0.68 0.92 0.00 6.62 0.00 -1.18 -0.53 119.26 125.76 1yla h ALA 193 Ca 0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1yla h ALA 193 Cb 1.19 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1yla h ALA 193 CO 0.13 0.65 -0.15 1.15 0.00 0.00 0.00 179.25 181.02 1yla h THR 194 N 0.93 0.56 0.23 0.00 2.02 -0.86 0.01 112.91 115.80 1yla h THR 194 Ca 0.17 -0.71 -0.31 0.00 0.77 0.00 0.00 66.41 66.34 1yla h THR 194 Cb 0.52 1.47 0.03 0.00 -1.74 0.00 0.00 68.15 68.43 1yla h THR 194 CO 0.03 0.15 -1.37 -0.08 0.37 0.00 0.00 175.52 174.61 1yla h GLU 195 N 0.00 0.48 -0.73 6.66 4.81 -1.00 -3.24 114.58 121.56 1yla h GLU 195 Ca -0.00 -0.82 0.00 0.00 -0.13 0.00 0.00 59.36 58.41 1yla h GLU 195 Cb 0.45 0.31 -0.04 0.00 0.63 0.00 0.00 28.75 30.10 1yla h GLU 195 CO 0.02 1.39 0.46 1.25 -0.73 0.00 0.00 179.01 181.41 1yla h LEU 196 N 0.03 0.85 0.00 1.64 5.85 -0.56 0.73 115.31 123.86 1yla h LEU 196 Ca -0.24 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1yla h LEU 196 Cb 2.06 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.87 1yla h LEU 196 CO 0.24 0.64 0.00 0.18 -0.34 0.00 0.00 178.44 179.16 1yla n LEU 197 N -4.41 0.00 0.00 2.25 4.77 -0.06 -1.98 117.00 117.57 1yla n LEU 197 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1yla n LEU 197 Cb 0.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1yla n LEU 197 CO 0.37 0.00 0.12 0.18 -1.33 0.00 0.00 177.39 176.73 1yla n LEU 198 N -0.69 0.48 0.00 2.23 4.77 0.23 -5.05 117.00 118.96 1yla n LEU 198 Ca 0.05 -0.68 0.06 0.00 -0.03 0.00 0.00 56.01 55.41 1yla n LEU 198 Cb 0.02 0.00 0.34 0.00 -2.33 0.00 0.00 43.42 41.45 1yla n LEU 198 CO 0.04 0.12 0.56 -1.20 -1.33 0.00 0.00 177.39 175.58