#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yb1 s ARG 26 N 0.00 3.16 0.61 5.56 0.52 -1.26 -4.36 118.95 123.18 1yb1 s ARG 26 Ca 0.00 -0.43 -0.13 0.00 -0.52 0.00 0.00 55.73 54.65 1yb1 s ARG 26 Cb 0.00 -2.84 -0.03 0.00 0.52 0.00 0.00 34.95 32.60 1yb1 s ARG 26 CO 0.00 0.59 1.03 -1.59 0.02 0.00 0.00 175.30 175.36 1yb1 s LYS 27 N -0.58 3.42 0.21 3.54 -2.85 -0.15 -5.01 119.74 118.33 1yb1 s LYS 27 Ca 0.10 0.97 -0.16 0.00 -1.00 0.00 0.00 55.97 55.88 1yb1 s LYS 27 Cb -0.12 -2.06 -0.08 0.00 -2.06 0.00 0.00 37.83 33.52 1yb1 s LYS 27 CO 0.02 -0.71 0.64 0.45 0.10 0.00 0.00 175.35 175.85 1yb1 s SER 28 N -3.46 6.87 -0.15 0.03 0.15 -1.26 -4.95 113.70 110.93 1yb1 s SER 28 Ca 0.59 1.21 0.14 0.00 0.70 0.00 0.00 55.95 58.59 1yb1 s SER 28 Cb -0.13 -2.34 0.38 0.00 -1.71 0.00 0.00 66.02 62.22 1yb1 s SER 28 CO 0.45 0.00 1.19 1.33 1.20 0.00 0.00 173.24 177.41 1yb1 n VAL 29 N 0.45 1.73 -2.05 4.45 0.24 -1.26 -5.03 118.33 116.86 1yb1 n VAL 29 Ca -0.02 -2.58 -0.42 0.00 -2.04 0.00 0.00 64.34 59.28 1yb1 n VAL 29 Cb 0.52 -0.03 -0.03 0.00 -1.47 0.00 0.00 33.84 32.83 1yb1 n VAL 29 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1yb1 s THR 30 N -2.55 3.14 0.00 3.34 2.01 -1.25 -2.11 115.64 118.22 1yb1 s THR 30 Ca 0.34 0.72 0.00 0.00 0.31 0.00 0.00 61.69 63.06 1yb1 s THR 30 Cb 0.34 -3.46 0.00 0.00 0.01 0.00 0.00 72.50 69.39 1yb1 s THR 30 CO -0.06 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.51 1yb1 n GLY 31 N 3.73 0.71 3.76 4.40 0.00 0.08 -4.92 105.19 112.96 1yb1 n GLY 31 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1yb1 n GLY 31 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yb1 s GLU 32 N -0.29 4.44 -0.42 1.61 0.41 -0.89 -4.54 118.70 119.01 1yb1 s GLU 32 Ca 0.00 2.08 -0.27 0.00 -0.41 0.00 0.00 54.97 56.37 1yb1 s GLU 32 Cb 0.00 -3.12 0.02 0.00 -1.78 0.00 0.00 34.13 29.25 1yb1 s GLU 32 CO 0.00 -0.09 0.99 0.42 -0.49 0.00 0.00 175.26 176.09 1yb1 s ILE 33 N -0.94 4.45 -0.24 -1.63 1.01 -1.26 -0.24 121.20 122.36 1yb1 s ILE 33 Ca 0.49 1.10 -0.03 0.00 0.00 0.00 0.00 60.65 62.21 1yb1 s ILE 33 Cb -0.37 -4.44 0.01 0.00 0.01 0.00 0.00 42.46 37.67 1yb1 s ILE 33 CO 0.47 -0.74 -0.05 -0.69 0.00 0.00 0.00 174.94 173.93 1yb1 s VAL 34 N 3.82 3.15 -0.23 2.92 1.01 -0.28 -0.44 120.40 130.35 1yb1 s VAL 34 Ca 0.41 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.55 1yb1 s VAL 34 Cb -0.10 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1yb1 s VAL 34 CO 0.24 0.30 0.09 -0.22 0.00 0.00 0.00 175.10 175.51 1yb1 s LEU 35 N 1.41 3.72 -0.15 3.92 0.20 0.18 -0.45 118.68 127.50 1yb1 s LEU 35 Ca 0.03 -0.04 0.02 0.00 0.69 0.00 0.00 54.13 54.83 1yb1 s LEU 35 Cb -0.15 -1.98 0.01 0.00 -0.43 0.00 0.00 46.19 43.63 1yb1 s LEU 35 CO -0.04 0.05 -0.21 -0.63 -0.29 0.00 0.00 176.35 175.23 1yb1 s ILE 36 N 1.11 2.14 0.27 6.68 1.01 -0.38 -0.05 121.20 131.98 1yb1 s ILE 36 Ca 0.05 -0.95 -0.10 0.00 0.00 0.00 0.00 60.65 59.65 1yb1 s ILE 36 Cb -0.14 -1.87 -0.07 0.00 0.01 0.00 0.00 42.46 40.39 1yb1 s ILE 36 CO 0.04 0.54 0.60 0.42 0.00 0.00 0.00 174.94 176.54 1yb1 s THR 37 N 0.87 4.88 -1.18 2.92 -4.23 -0.69 -1.07 115.64 117.13 1yb1 s THR 37 Ca -0.06 0.54 -0.00 0.00 -1.18 0.00 0.00 61.69 60.99 1yb1 s THR 37 Cb -0.15 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.05 1yb1 s THR 37 CO -0.03 -0.15 0.06 0.61 -0.54 0.00 0.00 174.62 174.58 1yb1 n GLY 38 N -0.35 -0.20 0.11 3.99 0.00 -0.35 -3.13 105.19 105.26 1yb1 n GLY 38 Ca 0.01 -0.27 0.15 0.00 0.00 0.00 0.00 46.02 45.91 1yb1 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yb1 n ALA 39 N -1.89 2.66 1.37 4.61 0.00 -0.61 -3.56 120.51 123.08 1yb1 n ALA 39 Ca -0.15 -0.25 0.14 0.00 0.00 0.00 0.00 53.44 53.17 1yb1 n ALA 39 Cb 0.62 -1.42 0.54 0.00 0.00 0.00 0.00 19.45 19.19 1yb1 n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yb1 n GLY 40 N 1.11 -0.79 3.74 0.00 0.00 -1.26 -3.46 105.19 104.52 1yb1 n GLY 40 Ca 0.20 -0.32 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 1yb1 n GLY 40 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1yb1 s HIS 41 N -2.45 -0.20 0.00 1.61 -3.43 -1.23 -4.37 115.29 105.21 1yb1 s HIS 41 Ca 0.28 -0.20 0.00 0.00 -0.80 0.00 0.00 55.06 54.34 1yb1 s HIS 41 Cb 0.20 0.62 0.00 0.00 -1.43 0.00 0.00 32.58 31.96 1yb1 s HIS 41 CO 0.48 -1.13 0.00 0.41 -2.00 0.00 0.00 174.74 172.50 1yb1 n GLY 42 N -0.43 2.25 0.34 -1.38 0.00 -1.26 -2.15 105.19 102.57 1yb1 n GLY 42 Ca -0.07 -0.43 0.05 0.00 0.00 0.00 0.00 46.02 45.58 1yb1 n GLY 42 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1yb1 h ILE 43 N 0.00 1.05 -0.27 -0.61 5.03 -1.93 -2.22 117.51 118.56 1yb1 h ILE 43 Ca 0.00 -0.25 -0.01 0.00 -0.12 0.00 0.00 64.86 64.48 1yb1 h ILE 43 Cb 0.00 0.27 -0.01 0.00 -3.03 0.00 0.00 36.82 34.04 1yb1 h ILE 43 CO 0.00 0.13 0.13 1.23 -0.68 0.00 0.00 178.15 178.97 1yb1 h GLY 44 N 0.73 0.41 0.89 5.37 0.00 -1.67 0.15 103.07 108.95 1yb1 h GLY 44 Ca 0.27 -0.20 0.01 0.00 0.00 0.00 0.00 47.33 47.41 1yb1 h GLY 44 CO -0.08 0.19 0.05 -0.09 0.00 0.00 0.00 176.54 176.61 1yb1 h ARG 45 N 0.30 0.12 -0.38 4.80 2.43 -1.03 -0.47 114.38 120.15 1yb1 h ARG 45 Ca 0.09 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 1yb1 h ARG 45 Cb 0.11 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1yb1 h ARG 45 CO -0.01 0.08 -0.03 -0.07 -1.51 0.00 0.00 179.97 178.43 1yb1 h LEU 46 N 0.12 0.60 -0.58 3.80 3.38 -1.26 -2.14 115.31 119.23 1yb1 h LEU 46 Ca 0.06 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 57.79 1yb1 h LEU 46 Cb 0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1yb1 h LEU 46 CO -0.06 0.69 -0.09 0.74 0.09 0.00 0.00 178.44 179.81 1yb1 h THR 47 N 0.59 1.27 -0.74 0.22 2.02 -0.47 -2.60 112.91 113.20 1yb1 h THR 47 Ca 0.12 -1.24 0.03 0.00 0.77 0.00 0.00 66.41 66.09 1yb1 h THR 47 Cb 0.42 0.92 -0.05 0.00 -1.74 0.00 0.00 68.15 67.70 1yb1 h THR 47 CO 0.02 0.44 0.46 0.00 0.37 0.00 0.00 175.52 176.81 1yb1 h ALA 48 N 0.96 0.97 -0.88 6.16 0.00 -0.62 -1.74 119.26 124.11 1yb1 h ALA 48 Ca 0.15 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1yb1 h ALA 48 Cb 0.65 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 1yb1 h ALA 48 CO 0.04 0.24 0.55 1.88 0.00 0.00 0.00 179.25 181.97 1yb1 h TYR 49 N 0.90 1.14 -0.47 0.00 0.05 -1.19 0.08 116.97 117.47 1yb1 h TYR 49 Ca 0.30 0.01 -0.08 0.00 0.05 0.00 0.00 58.73 59.01 1yb1 h TYR 49 Cb 0.03 -0.38 -0.02 0.00 1.01 0.00 0.00 36.73 37.38 1yb1 h TYR 49 CO -0.04 0.75 -0.00 0.93 -1.05 0.00 0.00 178.16 178.75 1yb1 h GLU 50 N 1.20 0.83 -0.21 4.88 4.39 -1.06 -2.10 114.58 122.52 1yb1 h GLU 50 Ca 0.32 -0.27 -0.05 0.00 0.34 0.00 0.00 59.36 59.70 1yb1 h GLU 50 Cb -0.08 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.48 1yb1 h GLU 50 CO -0.06 0.88 -0.11 0.74 -1.16 0.00 0.00 179.01 179.30 1yb1 h PHE 51 N 0.69 0.35 -0.50 4.33 0.04 -0.97 -2.63 116.94 118.25 1yb1 h PHE 51 Ca 0.13 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.87 1yb1 h PHE 51 Cb 0.51 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.54 1yb1 h PHE 51 CO 0.04 0.44 0.33 0.00 -0.60 0.00 0.00 178.31 178.52 1yb1 h ALA 52 N 1.58 0.64 0.00 2.45 0.00 -0.56 -2.41 119.26 120.95 1yb1 h ALA 52 Ca 0.06 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1yb1 h ALA 52 Cb 0.39 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1yb1 h ALA 52 CO 0.02 0.09 -0.22 0.87 0.00 0.00 0.00 179.25 180.01 1yb1 h LYS 53 N 0.68 0.00 -0.12 0.00 1.57 -1.03 -1.95 116.57 115.71 1yb1 h LYS 53 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 1yb1 h LYS 53 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1yb1 h LYS 53 CO -0.04 0.22 0.00 1.28 -0.57 0.00 0.00 179.45 180.34 1yb1 n LEU 54 N -4.22 1.42 -1.44 2.94 4.77 -0.94 -4.93 117.00 114.59 1yb1 n LEU 54 Ca -0.02 -0.57 -0.10 0.00 -0.03 0.00 0.00 56.01 55.28 1yb1 n LEU 54 Cb 0.28 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.31 1yb1 n LEU 54 CO 0.36 0.29 -0.03 0.29 -1.33 0.00 0.00 177.39 176.97 1yb1 n LYS 55 N 0.15 -1.93 -1.70 3.23 4.76 -0.73 -3.81 118.16 118.12 1yb1 n LYS 55 Ca 0.17 0.44 -0.31 0.00 -2.87 0.00 0.00 58.31 55.73 1yb1 n LYS 55 Cb 0.30 -4.34 0.04 0.00 -1.84 0.00 0.00 35.03 29.19 1yb1 n LYS 55 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1yb1 s SER 56 N -2.79 5.50 -0.36 4.39 0.01 -1.00 -0.74 113.70 118.71 1yb1 s SER 56 Ca 0.11 1.67 -0.20 0.00 1.31 0.00 0.00 55.95 58.84 1yb1 s SER 56 Cb -0.05 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1yb1 s SER 56 CO 0.13 -1.36 0.59 -0.54 0.41 0.00 0.00 173.24 172.47 1yb1 s LYS 57 N -4.77 3.63 -0.05 12.44 1.02 0.67 -4.32 119.74 128.35 1yb1 s LYS 57 Ca 0.59 -0.05 -0.16 0.00 0.02 0.00 0.00 55.97 56.37 1yb1 s LYS 57 Cb -0.14 -3.82 -0.05 0.00 -0.52 0.00 0.00 37.83 33.30 1yb1 s LYS 57 CO 0.50 -0.72 0.43 -0.51 -0.92 0.00 0.00 175.35 174.13 1yb1 s LEU 58 N 2.60 4.39 -0.22 3.17 1.43 -0.02 -1.12 118.68 128.90 1yb1 s LEU 58 Ca 0.22 0.88 0.01 0.00 -1.03 0.00 0.00 54.13 54.22 1yb1 s LEU 58 Cb -0.15 -2.62 0.03 0.00 0.03 0.00 0.00 46.19 43.49 1yb1 s LEU 58 CO 0.14 0.19 -0.14 -0.69 0.23 0.00 0.00 176.35 176.08 1yb1 s VAL 59 N -0.33 2.25 -0.16 -1.59 1.01 0.40 -0.53 120.40 121.45 1yb1 s VAL 59 Ca 0.24 -1.19 -0.03 0.00 0.00 0.00 0.00 61.98 61.00 1yb1 s VAL 59 Cb -0.16 -2.11 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 1yb1 s VAL 59 CO 0.12 0.29 -0.05 -0.76 0.00 0.00 0.00 175.10 174.70 1yb1 s LEU 60 N 1.23 3.16 -0.05 3.92 1.43 0.56 -1.25 118.68 127.68 1yb1 s LEU 60 Ca -0.01 -0.18 0.05 0.00 -1.03 0.00 0.00 54.13 52.97 1yb1 s LEU 60 Cb -0.16 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 1yb1 s LEU 60 CO -0.09 0.15 -0.21 0.26 0.23 0.00 0.00 176.35 176.69 1yb1 s TRP 61 N 0.49 2.53 -0.09 0.29 0.52 -0.24 -1.04 118.94 121.41 1yb1 s TRP 61 Ca -0.04 -0.48 -0.30 0.00 0.02 0.00 0.00 56.10 55.30 1yb1 s TRP 61 Cb -0.14 -1.61 0.11 0.00 -1.15 0.00 0.00 33.47 30.68 1yb1 s TRP 61 CO 0.03 -0.06 0.91 0.34 0.02 0.00 0.00 176.95 178.19 1yb1 s ASP 62 N -0.39 -0.41 0.32 2.95 -1.08 -1.09 -1.22 116.67 115.76 1yb1 s ASP 62 Ca 0.03 0.30 0.26 0.00 -0.52 0.00 0.00 52.55 52.63 1yb1 s ASP 62 Cb -0.12 0.37 1.01 0.00 -1.46 0.00 0.00 42.92 42.72 1yb1 s ASP 62 CO 0.02 -0.48 1.77 -0.29 0.52 0.00 0.00 175.17 176.71 1yb1 h ILE 63 N 2.42 0.00 -3.63 4.11 2.10 -1.81 -0.83 117.51 119.87 1yb1 h ILE 63 Ca -0.21 -0.35 -0.68 0.00 1.08 0.00 0.00 64.86 64.70 1yb1 h ILE 63 Cb 1.19 1.19 -0.24 0.00 -1.09 0.00 0.00 36.82 37.87 1yb1 h ILE 63 CO 0.32 0.00 -0.58 0.21 -1.08 0.00 0.00 178.15 177.02 1yb1 s ASN 64 N -4.65 5.37 0.25 2.19 3.84 -1.26 -4.77 114.94 115.91 1yb1 s ASN 64 Ca 0.05 -0.60 -0.04 0.00 0.21 0.00 0.00 52.86 52.48 1yb1 s ASN 64 Cb 0.09 -1.95 0.30 0.00 -0.55 0.00 0.00 41.25 39.15 1yb1 s ASN 64 CO 0.46 -0.19 1.80 0.50 -2.79 0.00 0.00 177.10 176.88 1yb1 h LYS 65 N 8.30 0.96 -0.01 0.43 3.64 -1.98 -1.72 116.57 126.19 1yb1 h LYS 65 Ca -0.32 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 58.84 1yb1 h LYS 65 Cb 1.14 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1yb1 h LYS 65 CO 0.61 0.84 -0.10 1.25 -2.27 0.00 0.00 179.45 179.77 1yb1 h HIS 66 N 0.93 0.13 -0.46 1.91 2.76 -1.98 0.46 115.15 118.88 1yb1 h HIS 66 Ca 0.21 -0.06 0.08 0.00 -2.20 0.00 0.00 60.37 58.40 1yb1 h HIS 66 Cb 0.29 -0.02 -0.07 0.00 1.55 0.00 0.00 27.41 29.16 1yb1 h HIS 66 CO 0.02 0.79 0.07 0.78 -1.30 0.00 0.00 177.93 178.29 1yb1 h GLY 67 N -0.57 0.54 0.51 5.26 0.00 -1.80 0.30 103.07 107.30 1yb1 h GLY 67 Ca -0.01 -0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.36 1yb1 h GLY 67 CO 0.02 -0.08 -0.14 -2.00 0.00 0.00 0.00 176.54 174.34 1yb1 h LEU 68 N 0.19 -0.44 -0.97 3.11 5.85 -1.26 -0.64 115.31 121.15 1yb1 h LEU 68 Ca 0.23 0.08 -0.07 0.00 0.84 0.00 0.00 57.88 58.97 1yb1 h LEU 68 Cb 0.31 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1yb1 h LEU 68 CO -0.32 -0.19 0.03 -0.33 -0.34 0.00 0.00 178.44 177.29 1yb1 h GLU 69 N -0.19 0.78 -0.08 1.25 3.07 -0.09 -0.04 114.58 119.28 1yb1 h GLU 69 Ca 0.09 -0.19 0.00 0.00 -0.50 0.00 0.00 59.36 58.75 1yb1 h GLU 69 Cb 0.31 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 28.12 1yb1 h GLU 69 CO -0.22 0.77 0.05 1.49 -1.40 0.00 0.00 179.01 179.70 1yb1 h GLU 70 N 0.74 0.10 -0.33 2.33 4.22 -0.18 0.39 114.58 121.84 1yb1 h GLU 70 Ca 0.15 -0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.58 1yb1 h GLU 70 Cb 0.40 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1yb1 h GLU 70 CO 0.01 0.06 0.21 1.15 -2.18 0.00 0.00 179.01 178.26 1yb1 h THR 71 N 0.10 1.10 -0.44 0.32 2.02 -0.76 -2.65 112.91 112.60 1yb1 h THR 71 Ca 0.03 -0.23 0.04 0.00 0.77 0.00 0.00 66.41 67.02 1yb1 h THR 71 Cb -0.01 0.66 -0.04 0.00 -1.74 0.00 0.00 68.15 67.02 1yb1 h THR 71 CO -0.01 0.10 0.21 0.00 0.37 0.00 0.00 175.52 176.20 1yb1 h ALA 72 N 1.09 0.55 -0.64 6.16 0.00 -0.81 -0.75 119.26 124.86 1yb1 h ALA 72 Ca 0.12 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1yb1 h ALA 72 Cb -0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1yb1 h ALA 72 CO -0.02 -0.14 0.36 0.00 0.00 0.00 0.00 179.25 179.44 1yb1 h ALA 73 N 1.24 0.84 -0.26 0.00 0.00 -0.72 0.32 119.26 120.69 1yb1 h ALA 73 Ca 0.19 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.94 1yb1 h ALA 73 Cb 0.11 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1yb1 h ALA 73 CO -0.14 0.06 -0.51 -0.22 0.00 0.00 0.00 179.25 178.44 1yb1 h LYS 74 N 0.68 0.72 -0.98 0.00 3.64 -1.16 -0.48 116.57 118.98 1yb1 h LYS 74 Ca 0.28 -0.43 0.02 0.00 -1.27 0.00 0.00 60.65 59.24 1yb1 h LYS 74 Cb 0.13 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.94 1yb1 h LYS 74 CO -0.16 1.05 0.65 0.00 -2.27 0.00 0.00 179.45 178.72 1yb1 h LYS 76 N 1.31 0.75 -0.47 0.00 1.57 -0.76 -2.01 116.57 116.97 1yb1 h LYS 76 Ca 0.37 -0.28 0.11 0.00 -1.87 0.00 0.00 60.65 58.98 1yb1 h LYS 76 Cb -0.12 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1yb1 h LYS 76 CO -0.09 0.88 0.33 0.78 -0.57 0.00 0.00 179.45 180.78 1yb1 h GLY 77 N 0.57 0.22 0.84 3.86 0.00 -0.56 -0.30 103.07 107.70 1yb1 h GLY 77 Ca 0.10 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1yb1 h GLY 77 CO 0.04 0.04 -0.06 1.04 0.00 0.00 0.00 176.54 177.59 1yb1 n LEU 78 N -4.44 0.43 0.00 3.11 4.77 -0.19 -4.92 117.00 115.76 1yb1 n LEU 78 Ca 0.08 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1yb1 n LEU 78 Cb 0.43 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 1yb1 n LEU 78 CO 0.35 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1yb1 n GLY 79 N 1.21 1.03 3.91 -0.72 0.00 -0.12 -4.66 105.19 105.83 1yb1 n GLY 79 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1yb1 n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yb1 s ALA 80 N -2.00 3.98 0.15 4.61 0.00 -0.79 -5.00 121.76 122.72 1yb1 s ALA 80 Ca 0.00 -0.83 -0.30 0.00 0.00 0.00 0.00 51.96 50.83 1yb1 s ALA 80 Cb 0.00 -1.83 -0.07 0.00 0.00 0.00 0.00 23.12 21.22 1yb1 s ALA 80 CO 0.00 0.81 1.22 0.15 0.00 0.00 0.00 175.76 177.94 1yb1 s LYS 81 N -2.39 4.46 -0.01 0.00 1.02 -1.26 -4.07 119.74 117.48 1yb1 s LYS 81 Ca 0.33 1.87 -0.01 0.00 0.02 0.00 0.00 55.97 58.19 1yb1 s LYS 81 Cb -0.13 -3.26 0.01 0.00 -0.52 0.00 0.00 37.83 33.93 1yb1 s LYS 81 CO 0.26 -0.16 0.03 0.08 -0.92 0.00 0.00 175.35 174.64 1yb1 s VAL 82 N 0.30 -0.02 0.02 3.17 1.01 -1.26 -0.84 120.40 122.79 1yb1 s VAL 82 Ca 0.55 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.64 1yb1 s VAL 82 Cb -0.32 -0.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.98 1yb1 s VAL 82 CO 0.34 0.03 -0.12 -1.00 0.00 0.00 0.00 175.10 174.34 1yb1 s HIS 83 N 0.33 1.09 0.10 5.22 3.76 0.31 -4.98 115.29 121.12 1yb1 s HIS 83 Ca -0.03 -0.31 0.08 0.00 -0.15 0.00 0.00 55.06 54.66 1yb1 s HIS 83 Cb -0.04 -0.66 -0.03 0.00 1.11 0.00 0.00 32.58 32.95 1yb1 s HIS 83 CO -0.01 0.01 -0.21 0.95 -0.85 0.00 0.00 174.74 174.63 1yb1 s THR 84 N -0.70 1.70 -0.07 1.30 -4.23 -1.26 -0.32 115.64 112.06 1yb1 s THR 84 Ca 0.01 -1.54 -0.03 0.00 -1.18 0.00 0.00 61.69 58.96 1yb1 s THR 84 Cb -0.07 -1.55 0.04 0.00 1.34 0.00 0.00 72.50 72.26 1yb1 s THR 84 CO 0.01 -0.06 0.15 -0.36 -0.54 0.00 0.00 174.62 173.82 1yb1 s PHE 85 N -1.16 -0.17 -0.30 3.99 0.08 -0.20 -4.94 117.98 115.28 1yb1 s PHE 85 Ca 0.06 0.51 -0.26 0.00 0.12 0.00 0.00 56.93 57.36 1yb1 s PHE 85 Cb -0.10 -0.09 0.01 0.00 -0.57 0.00 0.00 43.02 42.27 1yb1 s PHE 85 CO 0.04 -0.18 0.91 0.08 -0.10 0.00 0.00 175.22 175.97 1yb1 s VAL 86 N 1.24 4.70 -0.02 -0.44 1.01 -1.26 -2.65 120.40 122.97 1yb1 s VAL 86 Ca -0.09 1.47 -0.00 0.00 0.00 0.00 0.00 61.98 63.36 1yb1 s VAL 86 Cb -0.12 -4.24 0.03 0.00 0.00 0.00 0.00 36.38 32.05 1yb1 s VAL 86 CO -0.06 -0.30 0.04 -0.69 0.00 0.00 0.00 175.10 174.09 1yb1 s VAL 87 N 3.19 -0.06 -0.58 2.92 1.01 -0.32 -4.93 120.40 121.63 1yb1 s VAL 87 Ca 0.38 0.21 -0.22 0.00 0.00 0.00 0.00 61.98 62.34 1yb1 s VAL 87 Cb -0.14 -0.09 0.06 0.00 0.00 0.00 0.00 36.38 36.21 1yb1 s VAL 87 CO 0.12 0.09 0.87 -0.62 0.00 0.00 0.00 175.10 175.56 1yb1 s ASP 88 N 1.04 6.25 0.00 3.32 -1.08 -1.26 -2.54 116.67 122.39 1yb1 s ASP 88 Ca -0.09 -0.75 0.19 0.00 -0.52 0.00 0.00 52.55 51.39 1yb1 s ASP 88 Cb -0.12 -2.39 1.09 0.00 -1.46 0.00 0.00 42.92 40.04 1yb1 s ASP 88 CO -0.03 -1.22 1.56 0.00 0.52 0.00 0.00 175.17 176.00 1yb1 n SER 90 N -1.10 0.05 -4.13 0.00 3.41 -1.26 -4.50 113.62 106.09 1yb1 n SER 90 Ca 0.13 0.17 -0.35 0.00 -0.26 0.00 0.00 58.87 58.56 1yb1 n SER 90 Cb 0.10 -0.36 -0.13 0.00 -0.26 0.00 0.00 64.21 63.55 1yb1 n SER 90 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1yb1 s ASN 91 N -2.81 4.99 0.18 4.04 3.84 -0.13 -4.88 114.94 120.17 1yb1 s ASN 91 Ca 0.20 -1.67 -0.13 0.00 0.21 0.00 0.00 52.86 51.47 1yb1 s ASN 91 Cb 0.19 -1.74 0.18 0.00 -0.55 0.00 0.00 41.25 39.34 1yb1 s ASN 91 CO 0.51 -0.37 1.72 -0.09 -2.79 0.00 0.00 177.10 176.07 1yb1 h ARG 92 N 7.95 0.24 -0.86 0.43 2.43 -1.86 -1.94 114.38 120.78 1yb1 h ARG 92 Ca -0.16 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.05 1yb1 h ARG 92 Cb 1.05 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.49 1yb1 h ARG 92 CO 0.59 0.16 0.54 0.93 -1.51 0.00 0.00 179.97 180.67 1yb1 h GLU 93 N 0.25 0.97 -0.79 0.20 3.07 -1.95 -1.07 114.58 115.26 1yb1 h GLU 93 Ca 0.24 -0.06 -0.05 0.00 -0.50 0.00 0.00 59.36 59.00 1yb1 h GLU 93 Cb 0.32 -0.22 -0.03 0.00 -0.84 0.00 0.00 28.75 27.98 1yb1 h GLU 93 CO -0.31 0.64 0.29 0.22 -1.40 0.00 0.00 179.01 178.45 1yb1 h ASP 94 N 1.00 1.11 -0.15 1.42 3.58 -1.71 0.80 116.42 122.46 1yb1 h ASP 94 Ca 0.37 -0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.63 1yb1 h ASP 94 Cb 0.13 -0.29 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 1yb1 h ASP 94 CO -0.16 0.99 0.07 0.40 -2.88 0.00 0.00 179.24 177.66 1yb1 h ILE 95 N 1.16 1.12 -0.66 2.25 2.04 -0.83 -0.88 117.51 121.71 1yb1 h ILE 95 Ca 0.26 -0.35 -0.08 0.00 1.00 0.00 0.00 64.86 65.69 1yb1 h ILE 95 Cb 0.25 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 1yb1 h ILE 95 CO -0.02 0.11 0.11 1.88 0.00 0.00 0.00 178.15 180.24 1yb1 h TYR 96 N 0.12 1.16 -0.24 1.37 0.05 -1.04 0.63 116.97 119.02 1yb1 h TYR 96 Ca 0.05 -0.16 -0.00 0.00 0.05 0.00 0.00 58.73 58.67 1yb1 h TYR 96 Cb 0.12 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 37.53 1yb1 h TYR 96 CO -0.03 0.97 0.13 0.77 -1.05 0.00 0.00 178.16 178.95 1yb1 h SER 97 N 1.01 0.30 -0.65 3.88 0.02 -0.72 -1.46 113.55 115.92 1yb1 h SER 97 Ca 0.20 -0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 60.98 1yb1 h SER 97 Cb 0.44 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 1yb1 h SER 97 CO 0.01 0.30 0.08 0.28 -1.14 0.00 0.00 176.83 176.36 1yb1 h SER 98 N 0.27 1.05 -0.95 3.07 0.02 -1.02 -2.66 113.55 113.34 1yb1 h SER 98 Ca 0.08 -0.27 0.03 0.00 -0.84 0.00 0.00 61.79 60.80 1yb1 h SER 98 Cb 0.07 -0.28 -0.06 0.00 0.14 0.00 0.00 62.40 62.28 1yb1 h SER 98 CO -0.01 1.06 0.62 0.00 -1.14 0.00 0.00 176.83 177.35 1yb1 h ALA 99 N 1.03 1.25 -0.90 3.77 0.00 -0.72 -0.54 119.26 123.15 1yb1 h ALA 99 Ca 0.19 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1yb1 h ALA 99 Cb 0.47 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1yb1 h ALA 99 CO 0.02 0.49 0.51 -0.22 0.00 0.00 0.00 179.25 180.06 1yb1 h LYS 100 N 1.20 1.25 -0.52 0.00 3.64 -1.00 -1.01 116.57 120.12 1yb1 h LYS 100 Ca 0.38 -0.13 -0.06 0.00 -1.27 0.00 0.00 60.65 59.56 1yb1 h LYS 100 Cb -0.00 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.55 1yb1 h LYS 100 CO -0.12 0.90 0.08 0.87 -2.27 0.00 0.00 179.45 178.91 1yb1 h LYS 101 N 1.26 0.86 -0.24 1.90 1.57 -1.04 -1.95 116.57 118.93 1yb1 h LYS 101 Ca 0.32 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1yb1 h LYS 101 Cb -0.00 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1yb1 h LYS 101 CO -0.05 0.85 0.15 0.28 -0.57 0.00 0.00 179.45 180.10 1yb1 h VAL 102 N 0.74 1.05 -0.75 0.50 2.07 -0.56 0.13 116.25 119.44 1yb1 h VAL 102 Ca 0.16 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1yb1 h VAL 102 Cb 0.41 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1yb1 h VAL 102 CO 0.01 0.06 0.49 0.11 0.02 0.00 0.00 177.57 178.25 1yb1 h LYS 103 N 0.31 1.00 -0.02 1.57 1.57 -1.08 0.71 116.57 120.63 1yb1 h LYS 103 Ca 0.09 -0.07 -0.26 0.00 -1.87 0.00 0.00 60.65 58.54 1yb1 h LYS 103 Cb -0.03 -0.22 0.02 0.00 0.08 0.00 0.00 32.23 32.08 1yb1 h LYS 103 CO -0.02 0.67 -0.99 0.00 -0.57 0.00 0.00 179.45 178.54 1yb1 h ALA 104 N 1.26 0.18 0.00 3.86 0.00 -1.08 -3.16 119.26 120.33 1yb1 h ALA 104 Ca 0.27 -0.68 -0.26 0.00 0.00 0.00 0.00 54.91 54.24 1yb1 h ALA 104 Cb -0.09 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 1yb1 h ALA 104 CO -0.06 0.70 -1.97 0.39 0.00 0.00 0.00 179.25 178.31 1yb1 n GLU 105 N -3.86 0.66 0.01 0.00 1.02 0.44 -4.76 120.64 114.15 1yb1 n GLU 105 Ca -0.10 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1yb1 n GLU 105 Cb 0.86 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 1yb1 n GLU 105 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1yb1 n ILE 106 N -2.79 0.24 0.00 -3.67 5.41 0.07 -5.07 119.36 113.55 1yb1 n ILE 106 Ca -0.21 0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.62 1yb1 n ILE 106 Cb 1.00 -1.49 0.00 0.00 -0.71 0.00 0.00 39.64 38.44 1yb1 n ILE 106 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1yb1 n GLY 107 N 3.05 0.92 3.57 7.39 0.00 -0.19 -5.01 105.19 114.91 1yb1 n GLY 107 Ca 0.00 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 1yb1 n GLY 107 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yb1 s ASP 108 N -4.00 6.31 0.20 1.61 1.01 -1.26 -3.70 116.67 116.84 1yb1 s ASP 108 Ca 0.00 0.03 -0.32 0.00 0.71 0.00 0.00 52.55 52.96 1yb1 s ASP 108 Cb 0.00 -2.26 -0.14 0.00 1.01 0.00 0.00 42.92 41.53 1yb1 s ASP 108 CO 0.00 -0.43 1.46 0.52 0.21 0.00 0.00 175.17 176.94 1yb1 n VAL 109 N 5.36 0.56 -0.04 -1.27 0.31 -1.26 -4.69 118.33 117.30 1yb1 n VAL 109 Ca -0.05 -0.14 -0.01 0.00 -0.01 0.00 0.00 64.34 64.12 1yb1 n VAL 109 Cb 0.49 -1.46 -0.10 0.00 -0.91 0.00 0.00 33.84 31.86 1yb1 n VAL 109 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1yb1 n SER 110 N 2.63 2.07 -3.97 4.52 3.41 0.42 -4.71 113.62 118.00 1yb1 n SER 110 Ca 0.14 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.45 1yb1 n SER 110 Cb 0.30 1.08 -0.16 0.00 -0.26 0.00 0.00 64.21 65.17 1yb1 n SER 110 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1yb1 s ILE 111 N -2.51 1.45 -0.24 -1.33 1.01 -0.80 -0.48 121.20 118.29 1yb1 s ILE 111 Ca -0.05 -0.77 -0.06 0.00 0.00 0.00 0.00 60.65 59.76 1yb1 s ILE 111 Cb 0.05 -1.50 -0.02 0.00 0.01 0.00 0.00 42.46 41.00 1yb1 s ILE 111 CO 0.50 0.25 0.04 -0.22 0.00 0.00 0.00 174.94 175.51 1yb1 s LEU 112 N 1.50 3.30 -0.42 2.97 2.96 -0.05 -0.65 118.68 128.29 1yb1 s LEU 112 Ca 0.01 -0.27 -0.05 0.00 -0.22 0.00 0.00 54.13 53.60 1yb1 s LEU 112 Cb -0.15 -1.87 0.10 0.00 0.50 0.00 0.00 46.19 44.77 1yb1 s LEU 112 CO -0.09 -0.03 0.23 -0.69 -1.32 0.00 0.00 176.35 174.45 1yb1 s VAL 113 N 1.58 3.64 -0.86 1.68 1.01 0.93 -0.09 120.40 128.29 1yb1 s VAL 113 Ca 0.06 -1.83 -0.23 0.00 0.00 0.00 0.00 61.98 59.98 1yb1 s VAL 113 Cb -0.15 -3.40 0.06 0.00 0.00 0.00 0.00 36.38 32.90 1yb1 s VAL 113 CO 0.02 -0.64 1.26 0.20 0.00 0.00 0.00 175.10 175.94 1yb1 s ASN 114 N 2.04 6.37 0.00 3.32 0.02 -0.20 -1.71 114.94 124.78 1yb1 s ASN 114 Ca 0.06 -1.20 0.00 0.00 -1.02 0.00 0.00 52.86 50.70 1yb1 s ASN 114 Cb -0.23 -2.51 0.00 0.00 0.02 0.00 0.00 41.25 38.53 1yb1 s ASN 114 CO -0.02 -1.51 0.00 -3.20 0.02 0.00 0.00 177.10 172.39 1yb1 n ASN 115 N 8.40 4.47 -4.59 -1.22 5.15 -1.25 -1.64 115.26 124.59 1yb1 n ASN 115 Ca 0.16 0.00 -0.43 0.00 -0.60 0.00 0.00 54.58 53.71 1yb1 n ASN 115 Cb 0.49 0.72 -0.01 0.00 -0.53 0.00 0.00 39.78 40.46 1yb1 n ASN 115 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1yb1 n ALA 116 N -1.53 -0.18 -2.55 5.20 0.00 -1.18 -4.80 120.51 115.46 1yb1 n ALA 116 Ca 0.00 0.33 -0.13 0.00 0.00 0.00 0.00 53.44 53.64 1yb1 n ALA 116 Cb 0.17 -2.02 -0.11 0.00 0.00 0.00 0.00 19.45 17.49 1yb1 n ALA 116 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1yb1 s GLY 117 N -0.62 0.69 0.52 0.00 0.00 -1.26 -4.63 107.32 102.01 1yb1 s GLY 117 Ca 0.60 -1.06 -0.22 0.00 0.00 0.00 0.00 44.72 44.04 1yb1 s GLY 117 CO 0.59 -1.13 1.29 0.54 0.00 0.00 0.00 173.10 174.40 1yb1 s VAL 118 N -2.30 2.42 -0.11 1.40 0.11 -1.26 -4.99 120.40 115.66 1yb1 s VAL 118 Ca 0.01 0.32 0.02 0.00 -2.93 0.00 0.00 61.98 59.39 1yb1 s VAL 118 Cb -0.04 -3.16 -0.01 0.00 -1.53 0.00 0.00 36.38 31.65 1yb1 s VAL 118 CO -0.01 -0.00 -0.19 -0.69 -3.33 0.00 0.00 175.10 170.88 1yb1 s VAL 119 N -1.38 2.53 0.12 2.04 1.01 -1.26 -5.10 120.40 118.37 1yb1 s VAL 119 Ca 0.69 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.77 1yb1 s VAL 119 Cb -0.37 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.94 1yb1 s VAL 119 CO 0.44 0.54 0.35 -0.31 0.00 0.00 0.00 175.10 176.12 1yb1 s TYR 120 N 0.35 3.49 -0.16 5.22 2.02 -1.26 -5.09 117.35 121.92 1yb1 s TYR 120 Ca -0.15 0.53 -0.08 0.00 -0.37 0.00 0.00 57.07 57.00 1yb1 s TYR 120 Cb -0.17 -1.98 -0.04 0.00 -0.40 0.00 0.00 41.96 39.36 1yb1 s TYR 120 CO 0.07 0.47 0.13 0.99 -1.57 0.00 0.00 175.55 175.64 1yb1 s THR 121 N -1.61 5.40 0.24 -0.71 2.01 -1.26 -5.08 115.64 114.63 1yb1 s THR 121 Ca 0.39 0.18 -0.29 0.00 0.31 0.00 0.00 61.69 62.28 1yb1 s THR 121 Cb -0.12 -3.41 -0.15 0.00 0.01 0.00 0.00 72.50 68.83 1yb1 s THR 121 CO 0.24 0.53 0.91 -0.24 -0.69 0.00 0.00 174.62 175.37 1yb1 n SER 122 N 2.74 0.58 0.00 3.53 2.88 -1.26 -4.75 113.62 117.34 1yb1 n SER 122 Ca -0.18 1.16 0.08 0.00 -1.33 0.00 0.00 58.87 58.59 1yb1 n SER 122 Cb 0.53 -1.17 0.45 0.00 -0.75 0.00 0.00 64.21 63.27 1yb1 n SER 122 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1yb1 n ASP 123 N 1.59 0.00 0.26 -3.46 3.85 -1.26 -0.92 116.55 116.61 1yb1 n ASP 123 Ca 0.13 -0.40 0.17 0.00 -0.71 0.00 0.00 54.79 53.98 1yb1 n ASP 123 Cb 0.28 -0.04 0.71 0.00 -1.35 0.00 0.00 41.12 40.72 1yb1 n ASP 123 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.20 176.12 1yb1 h LEU 124 N 0.00 0.00 -1.06 -2.12 3.38 -2.00 -3.35 115.31 110.16 1yb1 h LEU 124 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1yb1 h LEU 124 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1yb1 h LEU 124 CO 0.00 0.00 0.00 0.49 0.09 0.00 0.00 178.44 179.02 1yb1 n PHE 125 N -2.97 0.00 -3.51 1.13 3.01 -0.10 -5.07 117.46 109.96 1yb1 n PHE 125 Ca 0.00 -0.09 -0.14 0.00 1.01 0.00 0.00 57.45 58.23 1yb1 n PHE 125 Cb 0.27 -0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 39.69 1yb1 n PHE 125 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yb1 s ALA 126 N -0.19 -1.53 0.61 4.37 0.00 -1.04 -5.00 121.76 118.99 1yb1 s ALA 126 Ca 0.00 0.74 -0.17 0.00 0.00 0.00 0.00 51.96 52.53 1yb1 s ALA 126 Cb 0.00 0.46 -0.02 0.00 0.00 0.00 0.00 23.12 23.55 1yb1 s ALA 126 CO 0.00 -0.56 1.13 0.95 0.00 0.00 0.00 175.76 177.28 1yb1 s THR 127 N -2.58 3.12 -0.01 0.00 -4.23 -1.26 -4.30 115.64 106.38 1yb1 s THR 127 Ca -0.05 0.60 -0.21 0.00 -1.18 0.00 0.00 61.69 60.86 1yb1 s THR 127 Cb -0.01 -3.16 -0.24 0.00 1.34 0.00 0.00 72.50 70.43 1yb1 s THR 127 CO -0.03 -0.24 1.06 1.56 -0.54 0.00 0.00 174.62 176.44 1yb1 h GLN 128 N 0.54 0.35 -0.72 3.99 4.20 -1.96 -3.39 115.11 118.12 1yb1 h GLN 128 Ca -0.48 -0.39 -0.04 0.00 0.06 0.00 0.00 58.65 57.81 1yb1 h GLN 128 Cb 1.26 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 29.12 1yb1 h GLN 128 CO 0.55 1.07 0.31 -0.44 -0.67 0.00 0.00 178.83 179.65 1yb1 h ASP 129 N -0.22 0.97 0.11 1.46 3.32 -1.99 0.10 116.42 120.17 1yb1 h ASP 129 Ca -0.07 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 56.81 1yb1 h ASP 129 Cb 1.27 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.57 1yb1 h ASP 129 CO 0.11 0.86 -0.05 -0.65 -1.72 0.00 0.00 179.24 177.79 1yb1 h PRO 130 N 1.02 0.00 0.11 3.56 0.11 -2.00 -1.54 132.00 133.25 1yb1 h PRO 130 Ca 0.24 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 66.08 1yb1 h PRO 130 Cb 0.17 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.28 1yb1 h PRO 130 CO -0.02 0.05 -1.29 1.96 -0.21 0.00 0.00 178.00 178.49 1yb1 h GLN 131 N 0.00 0.23 -0.41 1.05 4.20 -1.21 -0.42 115.11 118.54 1yb1 h GLN 131 Ca -0.00 -0.38 0.02 0.00 0.06 0.00 0.00 58.65 58.34 1yb1 h GLN 131 Cb 0.11 0.14 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 1yb1 h GLN 131 CO 0.01 1.15 0.24 0.82 -0.67 0.00 0.00 178.83 180.37 1yb1 h ILE 132 N 0.06 1.04 -0.18 2.54 2.04 -0.92 0.06 117.51 122.16 1yb1 h ILE 132 Ca -0.15 -0.17 0.01 0.00 1.00 0.00 0.00 64.86 65.56 1yb1 h ILE 132 Cb 1.96 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 1yb1 h ILE 132 CO 0.18 0.09 0.07 -0.33 0.00 0.00 0.00 178.15 178.16 1yb1 h GLU 133 N 0.48 0.16 -0.49 2.37 5.08 -1.23 -2.44 114.58 118.52 1yb1 h GLU 133 Ca 0.16 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.55 1yb1 h GLU 133 Cb 0.01 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 1yb1 h GLU 133 CO -0.08 0.10 0.32 -0.22 -1.00 0.00 0.00 179.01 178.14 1yb1 h LYS 134 N 0.16 0.51 -0.24 2.33 1.63 -0.88 -0.51 116.57 119.57 1yb1 h LYS 134 Ca 0.07 -0.03 0.04 0.00 -0.85 0.00 0.00 60.65 59.89 1yb1 h LYS 134 Cb 0.03 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 31.51 1yb1 h LYS 134 CO -0.07 0.34 -0.01 1.15 -3.45 0.00 0.00 179.45 177.41 1yb1 h THR 135 N 0.53 0.81 -0.11 1.00 2.02 -0.49 0.07 112.91 116.74 1yb1 h THR 135 Ca 0.20 -0.02 -0.14 0.00 0.77 0.00 0.00 66.41 67.22 1yb1 h THR 135 Cb 0.13 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1yb1 h THR 135 CO -0.05 0.01 -0.54 -0.26 0.37 0.00 0.00 175.52 175.05 1yb1 h PHE 136 N 0.06 0.41 -0.32 3.16 0.04 -1.17 0.11 116.94 119.22 1yb1 h PHE 136 Ca 0.12 -0.14 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 1yb1 h PHE 136 Cb 0.16 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.21 1yb1 h PHE 136 CO -0.21 0.79 0.16 0.93 -0.60 0.00 0.00 178.31 179.39 1yb1 h GLU 137 N 0.25 0.45 0.09 1.51 5.08 -0.50 0.62 114.58 122.09 1yb1 h GLU 137 Ca 0.01 -0.06 -0.21 0.00 -1.00 0.00 0.00 59.36 58.09 1yb1 h GLU 137 Cb 1.03 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 1yb1 h GLU 137 CO 0.09 0.40 -1.05 0.28 -1.00 0.00 0.00 179.01 177.73 1yb1 h VAL 138 N 0.39 1.24 0.00 3.13 2.07 -0.97 -0.57 116.25 121.54 1yb1 h VAL 138 Ca 0.11 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 65.23 1yb1 h VAL 138 Cb 0.09 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1yb1 h VAL 138 CO -0.02 0.65 -0.12 0.78 0.02 0.00 0.00 177.57 178.89 1yb1 h ASN 139 N -0.50 0.00 0.00 0.57 4.21 -1.04 -3.36 115.58 115.46 1yb1 h ASN 139 Ca -0.23 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.26 1yb1 h ASN 139 Cb 1.57 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.77 1yb1 h ASN 139 CO 0.04 0.01 0.00 0.52 -1.29 0.00 0.00 177.43 176.71 1yb1 n VAL 140 N -2.53 0.52 0.05 2.81 0.31 -0.90 -4.71 118.33 113.88 1yb1 n VAL 140 Ca 0.05 0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 1yb1 n VAL 140 Cb 0.47 -0.95 0.31 0.00 -0.91 0.00 0.00 33.84 32.76 1yb1 n VAL 140 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1yb1 h LEU 141 N 0.00 0.37 -1.62 7.52 3.38 -0.84 -1.27 115.31 122.85 1yb1 h LEU 141 Ca 0.00 -0.08 0.12 0.00 0.09 0.00 0.00 57.88 58.01 1yb1 h LEU 141 Cb 0.00 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1yb1 h LEU 141 CO 0.00 0.52 0.45 0.00 0.09 0.00 0.00 178.44 179.50 1yb1 h ALA 142 N 1.52 2.08 -0.15 1.53 0.00 -1.25 -0.24 119.26 122.75 1yb1 h ALA 142 Ca 0.07 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1yb1 h ALA 142 Cb 0.42 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1yb1 h ALA 142 CO 0.02 -0.24 -0.40 0.45 0.00 0.00 0.00 179.25 179.08 1yb1 h HIS 143 N 0.40 0.40 -0.26 0.00 3.86 -1.48 -0.44 115.15 117.63 1yb1 h HIS 143 Ca 0.32 -0.11 -0.02 0.00 -1.16 0.00 0.00 60.37 59.40 1yb1 h HIS 143 Cb 0.70 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.07 1yb1 h HIS 143 CO -0.00 0.69 0.07 0.74 0.86 0.00 0.00 177.93 180.29 1yb1 h PHE 144 N 0.28 0.43 -0.37 2.45 0.04 -1.04 -1.89 116.94 116.84 1yb1 h PHE 144 Ca 0.03 -0.05 -0.11 0.00 2.80 0.00 0.00 57.97 60.64 1yb1 h PHE 144 Cb 0.83 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.85 1yb1 h PHE 144 CO 0.02 0.48 -0.21 -1.49 -0.60 0.00 0.00 178.31 176.51 1yb1 h TRP 145 N 0.25 0.92 -0.42 -0.55 -0.00 -0.96 0.52 115.95 115.72 1yb1 h TRP 145 Ca 0.08 -0.24 -0.13 0.00 -0.00 0.00 0.00 58.89 58.61 1yb1 h TRP 145 Cb 0.26 -0.21 -0.01 0.00 -0.00 0.00 0.00 29.16 29.20 1yb1 h TRP 145 CO 0.01 0.99 -0.25 1.79 -0.00 0.00 0.00 178.44 180.98 1yb1 h THR 146 N 0.59 1.27 -0.48 1.49 1.35 -1.15 -1.49 112.91 114.48 1yb1 h THR 146 Ca 0.08 -1.39 -0.03 0.00 -0.55 0.00 0.00 66.41 64.52 1yb1 h THR 146 Cb 0.76 1.21 -0.02 0.00 -1.73 0.00 0.00 68.15 68.37 1yb1 h THR 146 CO 0.06 0.47 0.17 0.74 -0.25 0.00 0.00 175.52 176.71 1yb1 h THR 147 N 0.75 1.22 -0.29 6.82 2.02 -1.20 -0.41 112.91 121.81 1yb1 h THR 147 Ca 0.09 -0.69 -0.04 0.00 0.77 0.00 0.00 66.41 66.54 1yb1 h THR 147 Cb 0.79 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 1yb1 h THR 147 CO 0.07 0.26 -0.01 0.11 0.37 0.00 0.00 175.52 176.31 1yb1 h LYS 148 N 0.64 0.45 -0.19 6.66 1.57 -0.72 0.85 116.57 125.82 1yb1 h LYS 148 Ca 0.16 -0.09 -0.14 0.00 -1.87 0.00 0.00 60.65 58.70 1yb1 h LYS 148 Cb 0.23 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1yb1 h LYS 148 CO -0.01 0.49 -0.44 0.00 -0.57 0.00 0.00 179.45 178.91 1yb1 h ALA 149 N 1.56 0.32 0.00 3.86 0.00 -0.95 -3.40 119.26 120.64 1yb1 h ALA 149 Ca 0.09 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 1yb1 h ALA 149 Cb 0.30 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1yb1 h ALA 149 CO 0.01 0.45 -1.76 1.19 0.00 0.00 0.00 179.25 179.14 1yb1 n PHE 150 N -4.21 0.00 -0.14 0.00 3.72 -0.19 -4.61 117.46 112.03 1yb1 n PHE 150 Ca -0.06 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.28 1yb1 n PHE 150 Cb 0.56 -0.46 0.12 0.00 -0.94 0.00 0.00 39.48 38.76 1yb1 n PHE 150 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1yb1 h LEU 151 N 0.00 0.84 -0.70 4.37 5.85 -1.02 -3.14 115.31 121.51 1yb1 h LEU 151 Ca -0.15 -0.21 0.14 0.00 0.84 0.00 0.00 57.88 58.50 1yb1 h LEU 151 Cb 1.13 -0.22 -0.10 0.00 0.37 0.00 0.00 40.66 41.84 1yb1 h LEU 151 CO 0.01 0.90 0.19 -0.65 -0.34 0.00 0.00 178.44 178.56 1yb1 h PRO 152 N 0.81 0.31 -0.40 5.25 0.11 -1.79 0.10 132.00 136.38 1yb1 h PRO 152 Ca 0.15 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.11 1yb1 h PRO 152 Cb 0.48 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 1yb1 h PRO 152 CO 0.02 0.20 -0.30 0.00 -0.21 0.00 0.00 178.00 177.72 1yb1 h ALA 153 N 1.55 0.71 -0.60 -0.75 0.00 -1.86 0.23 119.26 118.53 1yb1 h ALA 153 Ca 0.38 -0.42 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1yb1 h ALA 153 Cb 0.61 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 1yb1 h ALA 153 CO -0.45 0.67 0.33 0.52 0.00 0.00 0.00 179.25 180.32 1yb1 h MET 154 N 0.75 0.61 -0.28 0.00 2.86 -1.33 -1.54 114.93 116.01 1yb1 h MET 154 Ca 0.08 -0.04 -0.17 0.00 -2.06 0.00 0.00 59.70 57.52 1yb1 h MET 154 Cb 0.86 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.38 1yb1 h MET 154 CO 0.08 0.41 -0.48 1.79 1.06 0.00 0.00 176.91 179.77 1yb1 h THR 155 N 0.63 1.29 -0.45 2.22 1.35 -0.52 0.42 112.91 117.84 1yb1 h THR 155 Ca 0.26 -1.67 0.09 0.00 -0.55 0.00 0.00 66.41 64.54 1yb1 h THR 155 Cb 0.14 1.66 -0.07 0.00 -1.73 0.00 0.00 68.15 68.14 1yb1 h THR 155 CO -0.16 0.54 -0.00 0.11 -0.25 0.00 0.00 175.52 175.76 1yb1 h LYS 156 N 0.57 0.11 -0.00 4.72 1.57 -0.74 -1.58 116.57 121.21 1yb1 h LYS 156 Ca 0.02 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1yb1 h LYS 156 Cb 1.08 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1yb1 h LYS 156 CO 0.11 0.07 -0.08 0.09 -0.57 0.00 0.00 179.45 179.07 1yb1 n ASN 157 N -5.22 0.17 -4.00 0.86 3.02 -0.60 -4.95 115.26 104.55 1yb1 n ASN 157 Ca 0.04 -0.06 -0.29 0.00 -0.03 0.00 0.00 54.58 54.24 1yb1 n ASN 157 Cb 0.24 -0.24 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 1yb1 n ASN 157 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1yb1 n ASN 158 N -1.29 -2.03 -3.57 6.41 5.15 -0.03 -5.00 115.26 114.90 1yb1 n ASN 158 Ca 0.11 -0.95 -0.10 0.00 -0.60 0.00 0.00 54.58 53.04 1yb1 n ASN 158 Cb 0.29 -3.22 -0.10 0.00 -0.53 0.00 0.00 39.78 36.22 1yb1 n ASN 158 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 1yb1 s HIS 159 N -3.63 -0.69 -0.07 1.20 2.46 -0.21 -4.10 115.29 110.26 1yb1 s HIS 159 Ca 0.33 1.15 -0.31 0.00 0.47 0.00 0.00 55.06 56.69 1yb1 s HIS 159 Cb -0.17 0.11 0.12 0.00 -0.13 0.00 0.00 32.58 32.51 1yb1 s HIS 159 CO 0.88 -0.52 1.37 0.20 -2.47 0.00 0.00 174.74 174.21 1yb1 s GLY 160 N 2.53 -0.35 -0.23 1.59 0.00 -0.74 -4.39 107.32 105.73 1yb1 s GLY 160 Ca 0.03 0.55 -0.08 0.00 0.00 0.00 0.00 44.72 45.23 1yb1 s GLY 160 CO -0.12 2.87 0.49 -1.58 0.00 0.00 0.00 173.10 174.76 1yb1 s HIS 161 N -2.08 -0.98 -0.23 1.90 2.46 0.36 -0.73 115.29 115.99 1yb1 s HIS 161 Ca 0.22 1.78 -0.05 0.00 0.47 0.00 0.00 55.06 57.48 1yb1 s HIS 161 Cb 0.04 0.47 -0.02 0.00 -0.13 0.00 0.00 32.58 32.94 1yb1 s HIS 161 CO -0.04 -0.55 0.01 0.42 -2.47 0.00 0.00 174.74 172.11 1yb1 s ILE 162 N 2.71 3.86 -0.29 0.89 1.01 0.17 -0.88 121.20 128.66 1yb1 s ILE 162 Ca -0.03 -0.33 -0.05 0.00 0.00 0.00 0.00 60.65 60.24 1yb1 s ILE 162 Cb -0.12 -2.77 0.02 0.00 0.01 0.00 0.00 42.46 39.60 1yb1 s ILE 162 CO -0.15 0.39 0.04 -0.69 0.00 0.00 0.00 174.94 174.54 1yb1 s VAL 163 N 1.41 3.58 -0.52 2.92 1.01 0.87 -1.60 120.40 128.06 1yb1 s VAL 163 Ca 0.05 -0.92 -0.19 0.00 0.00 0.00 0.00 61.98 60.92 1yb1 s VAL 163 Cb -0.15 -2.89 0.06 0.00 0.00 0.00 0.00 36.38 33.41 1yb1 s VAL 163 CO 0.01 0.04 0.66 -0.89 0.00 0.00 0.00 175.10 174.92 1yb1 s THR 164 N 1.42 4.83 -0.61 3.92 2.01 0.22 -1.03 115.64 126.40 1yb1 s THR 164 Ca 0.00 -0.53 -0.20 0.00 0.31 0.00 0.00 61.69 61.28 1yb1 s THR 164 Cb -0.18 -4.35 0.09 0.00 0.01 0.00 0.00 72.50 68.07 1yb1 s THR 164 CO 0.01 -0.88 0.79 -0.69 -0.69 0.00 0.00 174.62 173.16 1yb1 s VAL 165 N 2.73 4.64 -0.19 3.82 1.01 -0.65 -1.09 120.40 130.67 1yb1 s VAL 165 Ca 0.15 -0.70 0.16 0.00 0.00 0.00 0.00 61.98 61.59 1yb1 s VAL 165 Cb -0.20 -4.54 0.51 0.00 0.00 0.00 0.00 36.38 32.16 1yb1 s VAL 165 CO 0.11 -1.21 1.41 0.00 0.00 0.00 0.00 175.10 175.42 1yb1 n ALA 166 N 6.81 3.13 -2.89 5.51 0.00 0.36 -4.70 120.51 128.73 1yb1 n ALA 166 Ca -0.07 -2.44 -0.32 0.00 0.00 0.00 0.00 53.44 50.61 1yb1 n ALA 166 Cb 0.44 -0.70 -0.16 0.00 0.00 0.00 0.00 19.45 19.03 1yb1 n ALA 166 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1yb1 s SER 167 N -2.07 3.33 0.00 0.00 0.01 -1.13 -4.14 113.70 109.71 1yb1 s SER 167 Ca 0.42 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.22 1yb1 s SER 167 Cb 0.35 -1.12 0.00 0.00 0.21 0.00 0.00 66.02 65.45 1yb1 s SER 167 CO 0.07 0.22 0.00 0.00 0.41 0.00 0.00 173.24 173.94 1yb1 n ALA 168 N 3.13 0.00 -1.76 1.44 0.00 -1.26 -5.06 120.51 117.00 1yb1 n ALA 168 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.87 1yb1 n ALA 168 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.93 1yb1 n ALA 168 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1yb1 s HIS 171 N 2.15 3.57 -0.02 0.00 3.76 -1.26 -4.62 115.29 118.87 1yb1 s HIS 171 Ca 0.00 1.72 0.03 0.00 -0.15 0.00 0.00 55.06 56.66 1yb1 s HIS 171 Cb 0.00 -3.19 0.00 0.00 1.11 0.00 0.00 32.58 30.50 1yb1 s HIS 171 CO 0.00 -0.40 -0.09 0.08 -0.85 0.00 0.00 174.74 173.48 1yb1 s VAL 172 N -1.29 0.77 0.73 -0.90 1.01 -1.26 -5.12 120.40 114.34 1yb1 s VAL 172 Ca 0.47 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.97 1yb1 s VAL 172 Cb -0.28 -0.68 0.03 0.00 0.00 0.00 0.00 36.38 35.45 1yb1 s VAL 172 CO 0.36 0.24 1.09 -0.94 0.00 0.00 0.00 175.10 175.84 1yb1 s SER 173 N 0.10 4.83 0.26 3.32 1.04 -1.26 -4.73 113.70 117.25 1yb1 s SER 173 Ca -0.02 1.80 -0.02 0.00 0.48 0.00 0.00 55.95 58.19 1yb1 s SER 173 Cb -0.07 -2.52 0.53 0.00 0.10 0.00 0.00 66.02 64.05 1yb1 s SER 173 CO 0.00 -1.82 1.70 0.58 0.98 0.00 0.00 173.24 174.69 1yb1 h VAL 174 N -0.82 0.55 -0.19 5.02 2.07 -1.99 -1.28 116.25 119.61 1yb1 h VAL 174 Ca -0.44 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.01 1yb1 h VAL 174 Cb 1.23 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1yb1 h VAL 174 CO 0.53 0.07 0.17 -0.65 0.02 0.00 0.00 177.57 177.71 1yb1 h PRO 175 N 0.36 0.00 -0.01 1.57 0.11 -1.99 -2.92 132.00 129.12 1yb1 h PRO 175 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 1yb1 h PRO 175 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 1yb1 h PRO 175 CO -0.48 0.00 -0.18 1.19 -0.21 0.00 0.00 178.00 178.32 1yb1 n PHE 176 N -4.06 0.00 -0.15 0.65 3.72 -0.55 -4.67 117.46 112.40 1yb1 n PHE 176 Ca 0.02 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.33 1yb1 n PHE 176 Cb 0.30 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.85 1yb1 n PHE 176 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1yb1 h LEU 177 N 1.91 0.56 -0.44 4.37 5.85 -1.17 0.51 115.31 126.89 1yb1 h LEU 177 Ca 0.00 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1yb1 h LEU 177 Cb 0.49 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1yb1 h LEU 177 CO 0.00 0.51 0.25 0.25 -0.34 0.00 0.00 178.44 179.11 1yb1 h LEU 178 N 0.58 0.55 -0.19 2.25 5.85 -1.83 -0.12 115.31 122.39 1yb1 h LEU 178 Ca 0.15 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1yb1 h LEU 178 Cb 0.08 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1yb1 h LEU 178 CO -0.02 0.47 0.07 0.00 -0.34 0.00 0.00 178.44 178.61 1yb1 h ALA 179 N 1.10 0.25 0.07 1.25 0.00 -1.80 -1.20 119.26 118.93 1yb1 h ALA 179 Ca 0.16 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1yb1 h ALA 179 Cb 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1yb1 h ALA 179 CO -0.03 -0.14 -0.08 -0.92 0.00 0.00 0.00 179.25 178.08 1yb1 h TYR 180 N 0.15 -0.21 -0.35 0.00 3.20 -0.71 -0.96 116.97 118.09 1yb1 h TYR 180 Ca 0.06 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 1yb1 h TYR 180 Cb 0.21 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1yb1 h TYR 180 CO -0.00 -0.13 0.13 0.00 -1.64 0.00 0.00 178.16 176.52 1yb1 h SER 182 N 0.42 0.84 0.02 0.00 0.87 -1.09 -1.42 113.55 113.18 1yb1 h SER 182 Ca 0.12 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.63 1yb1 h SER 182 Cb 0.20 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1yb1 h SER 182 CO -0.01 0.55 -0.12 0.77 -0.53 0.00 0.00 176.83 177.49 1yb1 h SER 183 N 0.95 0.22 0.07 6.23 4.64 -0.94 -1.35 113.55 123.38 1yb1 h SER 183 Ca 0.35 -0.04 -0.25 0.00 -0.47 0.00 0.00 61.79 61.39 1yb1 h SER 183 Cb 0.18 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1yb1 h SER 183 CO -0.12 0.37 -0.96 0.11 -0.87 0.00 0.00 176.83 175.36 1yb1 h LYS 184 N 0.22 0.64 -0.66 4.77 1.79 -1.09 -0.97 116.57 121.27 1yb1 h LYS 184 Ca 0.05 -0.65 0.05 0.00 -2.18 0.00 0.00 60.65 57.92 1yb1 h LYS 184 Cb 0.36 0.17 -0.05 0.00 -1.58 0.00 0.00 32.23 31.13 1yb1 h LYS 184 CO 0.02 1.25 0.37 0.74 -1.08 0.00 0.00 179.45 180.75 1yb1 h PHE 185 N 0.38 0.69 -0.55 -1.35 0.04 -1.23 -1.42 116.94 113.49 1yb1 h PHE 185 Ca -0.10 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.70 1yb1 h PHE 185 Cb 1.60 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 39.51 1yb1 h PHE 185 CO 0.09 0.34 0.36 0.00 -0.60 0.00 0.00 178.31 178.50 1yb1 h ALA 186 N 1.34 0.70 -0.40 2.45 0.00 -1.11 -0.69 119.26 121.54 1yb1 h ALA 186 Ca 0.29 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 1yb1 h ALA 186 Cb 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1yb1 h ALA 186 CO -0.17 0.13 -0.27 0.00 0.00 0.00 0.00 179.25 178.94 1yb1 h ALA 187 N 1.20 0.76 -0.64 0.00 0.00 -0.96 0.05 119.26 119.68 1yb1 h ALA 187 Ca 0.20 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1yb1 h ALA 187 Cb -0.08 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1yb1 h ALA 187 CO -0.05 0.66 0.17 0.28 0.00 0.00 0.00 179.25 180.31 1yb1 h VAL 188 N 0.73 1.25 -0.97 0.00 2.07 -1.10 -1.33 116.25 116.90 1yb1 h VAL 188 Ca 0.09 -0.91 0.04 0.00 0.82 0.00 0.00 66.70 66.74 1yb1 h VAL 188 Cb 0.82 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 1yb1 h VAL 188 CO 0.07 0.34 0.63 1.23 0.02 0.00 0.00 177.57 179.86 1yb1 h GLY 189 N 0.93 1.41 0.69 2.17 0.00 -0.79 0.02 103.07 107.50 1yb1 h GLY 189 Ca 0.20 -0.48 0.02 0.00 0.00 0.00 0.00 47.33 47.07 1yb1 h GLY 189 CO -0.00 0.41 -0.16 -2.75 0.00 0.00 0.00 176.54 174.04 1yb1 h PHE 190 N 1.22 -0.42 -0.37 5.60 3.57 -0.63 -0.69 116.94 125.22 1yb1 h PHE 190 Ca 0.39 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.96 1yb1 h PHE 190 Cb 0.00 0.18 -0.06 0.00 2.79 0.00 0.00 35.95 38.86 1yb1 h PHE 190 CO -0.01 -0.24 0.02 1.25 -2.23 0.00 0.00 178.31 177.11 1yb1 h HIS 191 N -0.30 0.02 -0.61 0.41 2.76 -0.81 -0.16 115.15 116.45 1yb1 h HIS 191 Ca 0.03 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.16 1yb1 h HIS 191 Cb 0.33 0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.32 1yb1 h HIS 191 CO -0.18 -0.05 0.13 0.87 -1.30 0.00 0.00 177.93 177.40 1yb1 h LYS 192 N 0.13 1.00 -0.09 5.26 1.79 -0.77 0.04 116.57 123.92 1yb1 h LYS 192 Ca 0.18 -0.25 -0.09 0.00 -2.18 0.00 0.00 60.65 58.31 1yb1 h LYS 192 Cb 0.24 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 1yb1 h LYS 192 CO -0.29 0.92 -0.30 1.15 -1.08 0.00 0.00 179.45 179.86 1yb1 h THR 193 N 0.91 1.40 -0.56 -0.16 2.02 -0.93 -2.47 112.91 113.12 1yb1 h THR 193 Ca 0.19 -1.64 0.02 0.00 0.77 0.00 0.00 66.41 65.75 1yb1 h THR 193 Cb 0.39 2.20 -0.03 0.00 -1.74 0.00 0.00 68.15 68.97 1yb1 h THR 193 CO 0.01 0.48 0.35 0.25 0.37 0.00 0.00 175.52 176.98 1yb1 h LEU 194 N -0.09 0.58 -0.53 2.58 5.85 -0.91 0.65 115.31 123.45 1yb1 h LEU 194 Ca -0.01 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.77 1yb1 h LEU 194 Cb 0.92 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.77 1yb1 h LEU 194 CO 0.06 0.41 0.21 0.74 -0.34 0.00 0.00 178.44 179.53 1yb1 h THR 195 N 0.70 0.86 -0.02 1.05 2.02 -0.94 -1.28 112.91 115.29 1yb1 h THR 195 Ca 0.22 -0.14 -0.17 0.00 0.77 0.00 0.00 66.41 67.09 1yb1 h THR 195 Cb -0.01 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 1yb1 h THR 195 CO -0.08 0.08 -0.76 0.44 0.37 0.00 0.00 175.52 175.56 1yb1 h ASP 196 N 0.41 0.22 -0.26 4.18 5.19 -0.91 -1.75 116.42 123.50 1yb1 h ASP 196 Ca 0.25 -0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.51 1yb1 h ASP 196 Cb 0.25 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.68 1yb1 h ASP 196 CO -0.23 0.90 0.17 -0.33 -3.12 0.00 0.00 179.24 176.63 1yb1 h GLU 197 N 0.11 0.34 -0.58 3.56 5.08 -0.45 0.87 114.58 123.52 1yb1 h GLU 197 Ca -0.03 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1yb1 h GLU 197 Cb 1.34 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 1yb1 h GLU 197 CO 0.11 0.23 0.35 -0.07 -1.00 0.00 0.00 179.01 178.63 1yb1 h LEU 198 N 0.35 0.70 -0.23 1.33 3.38 -1.14 -1.31 115.31 118.38 1yb1 h LEU 198 Ca 0.10 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 1yb1 h LEU 198 Cb -0.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1yb1 h LEU 198 CO -0.02 0.55 0.14 0.00 0.09 0.00 0.00 178.44 179.20 1yb1 h ALA 199 N 1.17 0.30 -0.74 1.53 0.00 -1.15 -0.52 119.26 119.84 1yb1 h ALA 199 Ca 0.21 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1yb1 h ALA 199 Cb -0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 1yb1 h ALA 199 CO -0.04 -0.19 0.49 0.00 0.00 0.00 0.00 179.25 179.50 1yb1 h ALA 200 N 1.04 1.62 -0.10 0.00 0.00 -0.55 -0.36 119.26 120.92 1yb1 h ALA 200 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1yb1 h ALA 200 Cb 0.02 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1yb1 h ALA 200 CO -0.02 0.28 0.00 1.28 0.00 0.00 0.00 179.25 180.80 1yb1 n LEU 201 N -4.47 1.21 -3.70 0.00 4.77 -0.52 -4.92 117.00 109.36 1yb1 n LEU 201 Ca 0.10 -0.48 -0.25 0.00 -0.03 0.00 0.00 56.01 55.35 1yb1 n LEU 201 Cb 0.17 -0.06 0.06 0.00 -2.33 0.00 0.00 43.42 41.26 1yb1 n LEU 201 CO 0.34 0.24 0.14 0.00 -1.33 0.00 0.00 177.39 176.78 1yb1 n GLN 202 N -0.00 -6.50 -3.15 3.23 6.02 -0.15 -4.93 117.38 111.89 1yb1 n GLN 202 Ca 0.17 0.72 -0.45 0.00 -0.01 0.00 0.00 57.00 57.43 1yb1 n GLN 202 Cb 0.27 -5.64 -0.01 0.00 1.02 0.00 0.00 30.24 25.88 1yb1 n GLN 202 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1yb1 s ILE 203 N -3.37 5.46 -0.19 5.09 1.01 -0.27 -4.88 121.20 124.05 1yb1 s ILE 203 Ca 0.45 -2.79 0.27 0.00 0.00 0.00 0.00 60.65 58.59 1yb1 s ILE 203 Cb -0.21 -4.71 0.34 0.00 0.01 0.00 0.00 42.46 37.89 1yb1 s ILE 203 CO 0.78 -1.35 1.76 0.71 0.00 0.00 0.00 174.94 176.84 1yb1 h THR 204 N 4.44 0.07 -0.02 2.92 1.35 -1.92 -3.19 112.91 116.56 1yb1 h THR 204 Ca 0.21 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 1yb1 h THR 204 Cb 0.92 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 69.16 1yb1 h THR 204 CO 1.06 0.03 -0.18 0.61 -0.25 0.00 0.00 175.52 176.80 1yb1 n GLY 205 N 0.65 0.07 3.40 5.82 0.00 -1.26 -4.75 105.19 109.12 1yb1 n GLY 205 Ca 0.02 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 45.12 1yb1 n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yb1 s VAL 206 N -2.25 4.50 0.27 1.61 1.01 -1.21 -1.79 120.40 122.55 1yb1 s VAL 206 Ca 0.28 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.65 1yb1 s VAL 206 Cb 0.20 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 1yb1 s VAL 206 CO 0.43 -0.06 0.41 -0.54 0.00 0.00 0.00 175.10 175.34 1yb1 s LYS 207 N 1.57 3.37 0.03 2.72 -0.14 0.09 -4.94 119.74 122.44 1yb1 s LYS 207 Ca 0.03 -0.76 0.03 0.00 -1.36 0.00 0.00 55.97 53.91 1yb1 s LYS 207 Cb -0.18 -2.84 -0.02 0.00 -1.68 0.00 0.00 37.83 33.11 1yb1 s LYS 207 CO 0.06 0.31 -0.09 0.95 -0.76 0.00 0.00 175.35 175.82 1yb1 s THR 208 N -2.07 0.70 -0.03 2.17 -4.23 -1.26 -0.66 115.64 110.26 1yb1 s THR 208 Ca 0.37 -0.79 -0.01 0.00 -1.18 0.00 0.00 61.69 60.08 1yb1 s THR 208 Cb -0.09 -0.67 0.02 0.00 1.34 0.00 0.00 72.50 73.10 1yb1 s THR 208 CO 0.30 -0.09 0.06 -0.89 -0.54 0.00 0.00 174.62 173.46 1yb1 s THR 209 N -0.81 -0.04 -0.11 3.99 2.01 -0.63 -4.03 115.64 116.03 1yb1 s THR 209 Ca -0.02 0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.12 1yb1 s THR 209 Cb -0.07 -0.11 0.01 0.00 0.01 0.00 0.00 72.50 72.34 1yb1 s THR 209 CO 0.00 0.05 -0.15 0.00 -0.69 0.00 0.00 174.62 173.83 1yb1 s LEU 211 N 0.95 4.36 -0.08 0.00 2.96 -0.25 -0.51 118.68 126.11 1yb1 s LEU 211 Ca -0.07 -0.06 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 1yb1 s LEU 211 Cb -0.15 -2.74 0.01 0.00 0.50 0.00 0.00 46.19 43.81 1yb1 s LEU 211 CO -0.01 -0.65 -0.15 0.00 -1.32 0.00 0.00 176.35 174.22 1yb1 s PRO 213 N 0.60 4.33 0.49 0.00 0.04 -1.26 -1.01 135.00 138.18 1yb1 s PRO 213 Ca -0.15 1.96 0.26 0.00 0.04 0.00 0.00 61.00 63.10 1yb1 s PRO 213 Cb -0.16 -2.96 1.34 0.00 0.04 0.00 0.00 34.50 32.76 1yb1 s PRO 213 CO 0.05 -0.12 1.88 -0.91 0.04 0.00 0.00 177.00 177.94 1yb1 h ASN 214 N 3.23 0.15 -0.04 6.66 -0.26 -1.44 -2.40 115.58 121.48 1yb1 h ASN 214 Ca -0.48 0.02 0.01 0.00 -0.56 0.00 0.00 56.30 55.29 1yb1 h ASN 214 Cb 1.22 -0.01 -0.00 0.00 -1.06 0.00 0.00 38.32 38.47 1yb1 h ASN 214 CO 0.65 0.05 0.08 2.19 -1.06 0.00 0.00 177.43 179.34 1yb1 h PHE 215 N 0.15 0.00 -0.11 1.19 -5.15 -1.86 0.09 116.94 111.25 1yb1 h PHE 215 Ca 0.44 0.00 -0.06 0.00 -0.20 0.00 0.00 57.97 58.15 1yb1 h PHE 215 Cb 1.49 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.65 1yb1 h PHE 215 CO -0.00 0.00 -0.21 0.28 -2.00 0.00 0.00 178.31 176.38 1yb1 h VAL 216 N 0.00 1.21 0.03 0.88 2.07 -1.75 0.25 116.25 118.94 1yb1 h VAL 216 Ca 0.02 -0.95 -0.32 0.00 0.82 0.00 0.00 66.70 66.27 1yb1 h VAL 216 Cb 0.17 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 1yb1 h VAL 216 CO -0.00 0.29 -1.86 0.59 0.02 0.00 0.00 177.57 176.61 1yb1 n ASN 217 N -4.22 1.17 -0.01 0.57 4.13 -0.09 -4.63 115.26 112.18 1yb1 n ASN 217 Ca -0.01 0.32 0.08 0.00 1.68 0.00 0.00 54.58 56.64 1yb1 n ASN 217 Cb 0.32 -0.21 -0.14 0.00 -1.54 0.00 0.00 39.78 38.21 1yb1 n ASN 217 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 1yb1 n THR 218 N -3.15 0.08 -4.40 3.41 -2.24 -0.56 -5.10 114.28 102.33 1yb1 n THR 218 Ca -0.23 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 1yb1 n THR 218 Cb 1.06 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 1yb1 n THR 218 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yb1 n GLY 219 N 1.50 -1.08 0.23 3.38 0.00 0.87 -4.47 105.19 105.62 1yb1 n GLY 219 Ca -0.05 -1.19 -0.06 0.00 0.00 0.00 0.00 46.02 44.72 1yb1 n GLY 219 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1yb1 n PHE 220 N -0.41 0.00 -0.14 1.61 3.72 -1.26 -4.27 117.46 116.70 1yb1 n PHE 220 Ca 0.00 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.36 1yb1 n PHE 220 Cb 0.00 -0.36 0.15 0.00 -0.94 0.00 0.00 39.48 38.33 1yb1 n PHE 220 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1yb1 h ILE 221 N -0.72 1.24 0.00 4.37 1.08 -2.00 -1.73 117.51 119.75 1yb1 h ILE 221 Ca 0.00 -0.92 0.00 0.00 -0.39 0.00 0.00 64.86 63.55 1yb1 h ILE 221 Cb 0.72 0.73 0.00 0.00 -3.07 0.00 0.00 36.82 35.20 1yb1 h ILE 221 CO 0.00 0.34 0.00 0.11 -0.69 0.00 0.00 178.15 177.91 1yb1 h LYS 222 N 0.83 0.00 -3.18 2.37 1.57 -1.83 -3.36 116.57 112.96 1yb1 h LYS 222 Ca 0.17 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.33 1yb1 h LYS 222 Cb 0.37 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 32.28 1yb1 h LYS 222 CO 0.01 0.00 -0.68 1.21 -0.57 0.00 0.00 179.45 179.42 1yb1 s ASN 223 N -4.70 3.99 0.60 0.86 2.47 -0.65 -5.00 114.94 112.51 1yb1 s ASN 223 Ca 0.00 -2.84 0.29 0.00 0.42 0.00 0.00 52.86 50.73 1yb1 s ASN 223 Cb 0.09 -1.34 1.41 0.00 -1.45 0.00 0.00 41.25 39.96 1yb1 s ASN 223 CO 0.38 -0.25 1.82 -0.65 -3.72 0.00 0.00 177.10 174.69 1yb1 h PRO 224 N 6.59 0.00 0.00 0.43 0.11 -1.73 -0.26 132.00 137.15 1yb1 h PRO 224 Ca -0.04 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 1yb1 h PRO 224 Cb 0.91 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 1yb1 h PRO 224 CO 0.59 0.00 -0.02 0.77 -0.21 0.00 0.00 178.00 179.13 1yb1 h SER 225 N 0.00 0.00 0.26 -2.05 0.02 -1.89 0.24 113.55 110.12 1yb1 h SER 225 Ca 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1yb1 h SER 225 Cb 1.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.91 1yb1 h SER 225 CO -0.00 0.02 0.00 0.71 -1.14 0.00 0.00 176.83 176.41 1yb1 h THR 226 N 0.00 0.00 0.00 -2.27 1.35 -1.31 0.20 112.91 110.89 1yb1 h THR 226 Ca -0.00 -0.13 -0.20 0.00 -0.55 0.00 0.00 66.41 65.53 1yb1 h THR 226 Cb 0.03 1.10 -0.04 0.00 -1.73 0.00 0.00 68.15 67.52 1yb1 h THR 226 CO 0.00 0.00 -1.77 -1.20 -0.25 0.00 0.00 175.52 172.30 1yb1 n SER 227 N -3.03 2.56 -0.01 5.36 7.64 -0.35 -1.49 113.62 124.30 1yb1 n SER 227 Ca -0.02 -0.03 0.05 0.00 1.01 0.00 0.00 58.87 59.88 1yb1 n SER 227 Cb 0.13 0.35 -0.06 0.00 -1.01 0.00 0.00 64.21 63.62 1yb1 n SER 227 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1yb1 n LEU 228 N -2.62 0.54 0.00 -3.43 4.77 0.69 -4.61 117.00 112.35 1yb1 n LEU 228 Ca -0.21 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.26 1yb1 n LEU 228 Cb 0.82 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.91 1yb1 n LEU 228 CO 0.19 0.13 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1yb1 n GLY 229 N 1.25 -1.17 3.76 -0.72 0.00 0.70 -4.90 105.19 104.11 1yb1 n GLY 229 Ca 0.02 -1.18 -0.33 0.00 0.00 0.00 0.00 46.02 44.53 1yb1 n GLY 229 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1yb1 s PRO 230 N 0.00 2.68 0.35 1.61 0.04 -1.26 -4.22 135.00 134.20 1yb1 s PRO 230 Ca 0.00 1.43 0.01 0.00 0.04 0.00 0.00 61.00 62.49 1yb1 s PRO 230 Cb 0.00 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 32.60 1yb1 s PRO 230 CO 0.00 -1.35 0.04 0.25 0.04 0.00 0.00 177.00 175.98 1yb1 n THR 231 N -2.51 0.00 -4.23 1.26 -2.24 -1.26 -4.87 114.28 100.43 1yb1 n THR 231 Ca 0.11 -1.80 -0.30 0.00 -2.27 0.00 0.00 64.05 59.78 1yb1 n THR 231 Cb 0.52 0.47 -0.09 0.00 -2.10 0.00 0.00 70.33 69.13 1yb1 n THR 231 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1yb1 s LEU 232 N 0.00 3.28 0.52 3.22 1.43 -1.26 -5.08 118.68 120.79 1yb1 s LEU 232 Ca 0.06 -0.23 -0.19 0.00 -1.03 0.00 0.00 54.13 52.74 1yb1 s LEU 232 Cb 0.00 -2.01 -0.07 0.00 0.03 0.00 0.00 46.19 44.15 1yb1 s LEU 232 CO 0.04 0.20 1.04 -1.61 0.23 0.00 0.00 176.35 176.26 1yb1 s GLU 233 N -2.08 3.67 0.28 1.70 0.41 -1.26 -4.86 118.70 116.56 1yb1 s GLU 233 Ca 0.23 1.31 0.02 0.00 -0.41 0.00 0.00 54.97 56.12 1yb1 s GLU 233 Cb -0.11 -2.08 0.69 0.00 -1.78 0.00 0.00 34.13 30.85 1yb1 s GLU 233 CO 0.15 -0.54 1.68 -1.35 -0.49 0.00 0.00 175.26 174.71 1yb1 h PRO 234 N 1.23 0.32 -0.26 0.39 0.11 -1.99 0.67 132.00 132.47 1yb1 h PRO 234 Ca -0.49 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 1yb1 h PRO 234 Cb 1.22 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1yb1 h PRO 234 CO 0.59 0.21 0.02 0.93 -0.21 0.00 0.00 178.00 179.54 1yb1 h GLU 235 N 0.33 0.38 -0.08 1.05 3.07 -1.99 -0.93 114.58 116.42 1yb1 h GLU 235 Ca 0.54 -0.06 -0.21 0.00 -0.50 0.00 0.00 59.36 59.13 1yb1 h GLU 235 Cb 1.03 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.88 1yb1 h GLU 235 CO -0.56 0.40 -0.80 1.49 -1.40 0.00 0.00 179.01 178.14 1yb1 h GLU 236 N 0.38 0.55 -0.52 2.33 4.57 -1.28 -1.01 114.58 119.60 1yb1 h GLU 236 Ca 0.09 -0.48 0.04 0.00 -1.18 0.00 0.00 59.36 57.82 1yb1 h GLU 236 Cb 0.23 0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.88 1yb1 h GLU 236 CO 0.00 1.11 0.28 0.28 -1.18 0.00 0.00 179.01 179.50 1yb1 h VAL 237 N 0.36 0.99 -0.38 0.32 2.07 -0.72 -1.81 116.25 117.08 1yb1 h VAL 237 Ca -0.05 -0.19 -0.14 0.00 0.82 0.00 0.00 66.70 67.14 1yb1 h VAL 237 Cb 1.41 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1yb1 h VAL 237 CO 0.15 0.10 -0.33 0.58 0.02 0.00 0.00 177.57 178.09 1yb1 h VAL 238 N 0.54 1.28 -0.45 2.57 2.07 -1.09 -0.33 116.25 120.83 1yb1 h VAL 238 Ca 0.22 -1.49 0.07 0.00 0.82 0.00 0.00 66.70 66.32 1yb1 h VAL 238 Cb 0.10 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 1yb1 h VAL 238 CO -0.14 0.50 0.09 0.78 0.02 0.00 0.00 177.57 178.82 1yb1 h ASN 239 N 0.72 -0.00 -0.27 0.57 2.35 -0.93 0.14 115.58 118.15 1yb1 h ASN 239 Ca 0.07 0.08 -0.16 0.00 -0.55 0.00 0.00 56.30 55.75 1yb1 h ASN 239 Cb 0.89 0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.37 1yb1 h ASN 239 CO 0.08 0.03 -0.41 0.03 -1.65 0.00 0.00 177.43 175.51 1yb1 h ARG 240 N 0.22 0.83 0.07 0.81 3.08 -1.04 -1.48 114.38 116.86 1yb1 h ARG 240 Ca 0.22 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1yb1 h ARG 240 Cb 0.29 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 1yb1 h ARG 240 CO -0.29 1.08 -0.05 1.25 -1.07 0.00 0.00 179.97 180.88 1yb1 h LEU 241 N 0.67 -0.14 -0.74 3.04 5.85 -0.78 -1.50 115.31 121.72 1yb1 h LEU 241 Ca 0.05 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1yb1 h LEU 241 Cb 0.99 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 1yb1 h LEU 241 CO 0.09 -0.09 0.27 0.24 -0.34 0.00 0.00 178.44 178.62 1yb1 h MET 242 N -0.13 1.12 -0.67 1.25 2.86 -0.89 -0.05 114.93 118.42 1yb1 h MET 242 Ca -0.00 -0.22 -0.08 0.00 -2.06 0.00 0.00 59.70 57.35 1yb1 h MET 242 Cb 0.12 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 1yb1 h MET 242 CO -0.01 0.93 0.12 1.25 1.06 0.00 0.00 176.91 180.26 1yb1 h HIS 243 N 1.07 1.16 -0.29 -0.22 -0.00 -1.17 -0.13 115.15 115.56 1yb1 h HIS 243 Ca 0.24 -0.16 -0.03 0.00 -0.00 0.00 0.00 60.37 60.42 1yb1 h HIS 243 Cb 0.24 -0.32 -0.01 0.00 -0.00 0.00 0.00 27.41 27.32 1yb1 h HIS 243 CO 0.02 0.97 0.06 0.78 -0.00 0.00 0.00 177.93 179.76 1yb1 h GLY 244 N 1.02 0.52 0.66 5.26 0.00 -0.87 -1.48 103.07 108.17 1yb1 h GLY 244 Ca 0.20 -0.34 0.04 0.00 0.00 0.00 0.00 47.33 47.23 1yb1 h GLY 244 CO 0.01 0.31 -0.02 -2.22 0.00 0.00 0.00 176.54 174.62 1yb1 h ILE 245 N 0.31 0.84 0.00 2.60 2.04 -0.83 0.13 117.51 122.60 1yb1 h ILE 245 Ca 0.09 -0.01 -0.05 0.00 1.00 0.00 0.00 64.86 65.89 1yb1 h ILE 245 Cb 0.32 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1yb1 h ILE 245 CO 0.00 0.01 -0.23 -0.07 0.00 0.00 0.00 178.15 177.86 1yb1 h LEU 246 N 0.04 0.00 -1.94 1.44 3.38 -0.88 -1.75 115.31 115.60 1yb1 h LEU 246 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1yb1 h LEU 246 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1yb1 h LEU 246 CO -0.18 0.23 0.00 0.35 0.09 0.00 0.00 178.44 178.93 1yb1 n THR 247 N -3.38 0.32 -3.74 0.22 -2.24 -0.57 -0.97 114.28 103.91 1yb1 n THR 247 Ca 0.00 -0.59 -0.25 0.00 -2.27 0.00 0.00 64.05 60.94 1yb1 n THR 247 Cb 0.44 0.95 0.05 0.00 -2.10 0.00 0.00 70.33 69.66 1yb1 n THR 247 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1yb1 n GLU 248 N 1.18 -5.95 -2.35 -0.78 1.02 -0.39 -4.96 120.64 108.40 1yb1 n GLU 248 Ca 0.18 0.68 -0.40 0.00 -0.02 0.00 0.00 57.16 57.59 1yb1 n GLU 248 Cb 0.54 -5.52 -0.04 0.00 -0.02 0.00 0.00 31.44 26.41 1yb1 n GLU 248 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1yb1 s GLN 249 N -6.24 4.54 0.11 3.49 -1.52 0.32 -4.95 119.66 115.40 1yb1 s GLN 249 Ca 0.38 1.95 -0.09 0.00 -1.95 0.00 0.00 55.36 55.65 1yb1 s GLN 249 Cb -0.19 -3.15 -0.15 0.00 -0.22 0.00 0.00 33.01 29.30 1yb1 s GLN 249 CO 0.79 0.07 1.26 0.87 -0.25 0.00 0.00 175.29 178.04 1yb1 h LYS 250 N 3.70 0.59 -5.33 2.91 1.57 -1.88 -3.38 116.57 114.75 1yb1 h LYS 250 Ca -0.47 -0.60 -0.49 0.00 -1.87 0.00 0.00 60.65 57.22 1yb1 h LYS 250 Cb 1.22 0.16 -0.29 0.00 0.08 0.00 0.00 32.23 33.40 1yb1 h LYS 250 CO 0.67 1.21 -0.81 -1.64 -0.57 0.00 0.00 179.45 178.30 1yb1 s MET 251 N -3.37 1.18 -0.28 3.15 -1.94 -1.26 -0.88 119.30 115.89 1yb1 s MET 251 Ca -0.08 -0.52 -0.01 0.00 -1.71 0.00 0.00 55.69 53.37 1yb1 s MET 251 Cb 0.08 -1.14 0.09 0.00 2.01 0.00 0.00 34.83 35.88 1yb1 s MET 251 CO 0.89 0.31 0.08 0.42 -0.01 0.00 0.00 175.02 176.71 1yb1 s ILE 252 N -0.33 0.74 0.05 2.53 1.01 0.33 -4.92 121.20 120.62 1yb1 s ILE 252 Ca 0.05 -1.16 -0.25 0.00 0.00 0.00 0.00 60.65 59.29 1yb1 s ILE 252 Cb -0.06 -1.48 -0.06 0.00 0.01 0.00 0.00 42.46 40.88 1yb1 s ILE 252 CO -0.01 -0.56 0.78 -0.36 0.00 0.00 0.00 174.94 174.79 1yb1 s PHE 253 N 1.70 3.75 0.06 3.97 0.08 -1.26 -1.12 117.98 125.15 1yb1 s PHE 253 Ca 0.07 1.50 0.02 0.00 0.12 0.00 0.00 56.93 58.64 1yb1 s PHE 253 Cb -0.17 -2.83 -0.03 0.00 -0.57 0.00 0.00 43.02 39.42 1yb1 s PHE 253 CO -0.22 0.28 -0.08 0.96 -0.10 0.00 0.00 175.22 176.06 1yb1 s ILE 254 N -0.10 0.59 0.21 0.64 -4.36 -0.18 -4.94 121.20 113.06 1yb1 s ILE 254 Ca 0.39 -1.29 -0.30 0.00 -0.26 0.00 0.00 60.65 59.19 1yb1 s ILE 254 Cb -0.21 -0.87 -0.09 0.00 1.25 0.00 0.00 42.46 42.54 1yb1 s ILE 254 CO 0.23 -0.50 1.25 -2.16 0.24 0.00 0.00 174.94 174.01 1yb1 s PRO 255 N -2.12 4.44 0.69 0.37 0.04 -1.26 -1.03 135.00 136.13 1yb1 s PRO 255 Ca -0.05 1.99 -0.06 0.00 0.04 0.00 0.00 61.00 62.92 1yb1 s PRO 255 Cb -0.06 -3.20 0.06 0.00 0.04 0.00 0.00 34.50 31.34 1yb1 s PRO 255 CO -0.01 -0.15 1.00 -1.54 0.04 0.00 0.00 177.00 176.34 1yb1 s SER 256 N 0.11 4.84 -0.50 6.66 1.04 -1.26 -4.52 113.70 120.07 1yb1 s SER 256 Ca 0.54 0.42 0.07 0.00 0.48 0.00 0.00 55.95 57.46 1yb1 s SER 256 Cb -0.35 -1.08 0.36 0.00 0.10 0.00 0.00 66.02 65.05 1yb1 s SER 256 CO 0.39 -1.57 0.94 -1.54 0.98 0.00 0.00 173.24 172.44 1yb1 n SER 257 N -2.88 3.65 -0.65 7.02 3.41 -1.26 -4.83 113.62 118.08 1yb1 n SER 257 Ca 0.08 -3.51 0.12 0.00 -0.26 0.00 0.00 58.87 55.30 1yb1 n SER 257 Cb 0.60 -0.55 0.11 0.00 -0.26 0.00 0.00 64.21 64.12 1yb1 n SER 257 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1yb1 n ILE 258 N -0.18 0.00 -3.94 -1.33 -5.35 -1.26 -4.01 119.36 103.28 1yb1 n ILE 258 Ca 0.30 -0.34 -0.34 0.00 -0.27 0.00 0.00 62.75 62.10 1yb1 n ILE 258 Cb 0.52 1.21 0.00 0.00 -1.74 0.00 0.00 39.64 39.63 1yb1 n ILE 258 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1yb1 n ALA 259 N 0.46 -2.36 0.11 -1.28 0.00 -1.09 -4.71 120.51 111.65 1yb1 n ALA 259 Ca 0.12 -0.36 -0.15 0.00 0.00 0.00 0.00 53.44 53.05 1yb1 n ALA 259 Cb 0.50 -2.60 -0.09 0.00 0.00 0.00 0.00 19.45 17.25 1yb1 n ALA 259 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1yb1 h PHE 260 N -2.07 -1.39 -0.62 0.00 3.57 -1.52 -1.06 116.94 113.85 1yb1 h PHE 260 Ca -0.67 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 60.78 1yb1 h PHE 260 Cb 1.38 0.59 -0.02 0.00 2.79 0.00 0.00 35.95 40.69 1yb1 h PHE 260 CO 0.41 -0.55 0.04 -0.07 -2.23 0.00 0.00 178.31 175.92 1yb1 h LEU 261 N -0.70 1.03 -0.44 0.59 3.38 -1.88 -2.23 115.31 115.07 1yb1 h LEU 261 Ca -0.01 -0.29 -0.15 0.00 0.09 0.00 0.00 57.88 57.52 1yb1 h LEU 261 Cb 0.70 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1yb1 h LEU 261 CO -0.25 1.07 -0.37 0.71 0.09 0.00 0.00 178.44 179.68 1yb1 h THR 262 N 0.97 1.27 -0.47 0.22 1.35 -1.86 0.19 112.91 114.58 1yb1 h THR 262 Ca 0.18 -1.54 0.08 0.00 -0.55 0.00 0.00 66.41 64.57 1yb1 h THR 262 Cb 0.51 1.37 -0.06 0.00 -1.73 0.00 0.00 68.15 68.23 1yb1 h THR 262 CO 0.02 0.52 0.10 0.74 -0.25 0.00 0.00 175.52 176.65 1yb1 h THR 263 N 0.74 0.75 -0.02 6.82 2.02 -1.00 -2.18 112.91 120.05 1yb1 h THR 263 Ca 0.06 -0.08 -0.08 0.00 0.77 0.00 0.00 66.41 67.08 1yb1 h THR 263 Cb 0.95 0.49 0.01 0.00 -1.74 0.00 0.00 68.15 67.86 1yb1 h THR 263 CO 0.09 0.04 -0.29 -0.07 0.37 0.00 0.00 175.52 175.66 1yb1 h LEU 264 N 0.24 0.30 -2.15 2.58 3.38 -1.20 -3.28 115.31 115.18 1yb1 h LEU 264 Ca 0.23 -0.72 -0.01 0.00 0.09 0.00 0.00 57.88 57.48 1yb1 h LEU 264 Cb 0.30 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1yb1 h LEU 264 CO -0.30 0.97 -0.04 -0.33 0.09 0.00 0.00 178.44 178.84 1yb1 h GLU 265 N -0.35 0.00 -0.97 1.13 5.08 -0.60 -1.99 114.58 116.88 1yb1 h GLU 265 Ca -0.03 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.48 1yb1 h GLU 265 Cb 1.00 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.16 1yb1 h GLU 265 CO 0.06 0.04 0.61 0.00 -1.00 0.00 0.00 179.01 178.72 1yb1 h ARG 266 N 0.00 0.80 -0.00 2.33 2.47 -1.45 -1.89 114.38 116.64 1yb1 h ARG 266 Ca -0.00 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1yb1 h ARG 266 Cb 0.27 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 1yb1 h ARG 266 CO 0.01 0.53 -0.02 0.44 0.56 0.00 0.00 179.97 181.49 1yb1 n ILE 267 N -4.63 0.00 1.92 2.04 -5.35 -0.75 -5.14 119.36 107.45 1yb1 n ILE 267 Ca 0.20 -0.02 0.16 0.00 -0.27 0.00 0.00 62.75 62.81 1yb1 n ILE 267 Cb 0.46 -0.38 0.88 0.00 -1.74 0.00 0.00 39.64 38.86 1yb1 n ILE 267 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97