#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yau s THR 2 N 0.00 0.65 0.13 12.58 2.01 -1.26 -0.80 115.64 128.96 1yau s THR 2 Ca 0.00 -0.12 0.05 0.00 0.31 0.00 0.00 61.69 61.93 1yau s THR 2 Cb 0.00 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.77 1yau s THR 2 CO 0.00 0.28 -0.12 0.42 -0.69 0.00 0.00 174.62 174.51 1yau s THR 3 N 1.37 1.20 -0.01 -0.82 -4.23 -0.95 -2.34 115.64 109.86 1yau s THR 3 Ca -0.03 -1.84 -0.12 0.00 -1.18 0.00 0.00 61.69 58.51 1yau s THR 3 Cb -0.13 -1.62 0.02 0.00 1.34 0.00 0.00 72.50 72.10 1yau s THR 3 CO -0.03 -0.57 0.26 0.54 -0.54 0.00 0.00 174.62 174.28 1yau s VAL 4 N -2.66 0.07 -0.01 2.29 0.11 0.12 -1.75 120.40 118.57 1yau s VAL 4 Ca 0.11 -0.55 0.00 0.00 -2.93 0.00 0.00 61.98 58.61 1yau s VAL 4 Cb -0.02 -0.57 0.01 0.00 -1.53 0.00 0.00 36.38 34.27 1yau s VAL 4 CO 0.02 -0.30 -0.00 -0.83 -3.33 0.00 0.00 175.10 170.65 1yau s GLY 5 N -1.38 0.09 0.02 6.54 0.00 -0.56 -0.53 107.32 111.50 1yau s GLY 5 Ca -0.14 0.03 0.05 0.00 0.00 0.00 0.00 44.72 44.66 1yau s GLY 5 CO 0.03 0.16 -0.14 -0.26 0.00 0.00 0.00 173.10 172.89 1yau s ILE 6 N 0.29 1.13 0.12 0.90 -4.36 0.26 -1.27 121.20 118.27 1yau s ILE 6 Ca -0.02 -0.85 -0.07 0.00 -0.26 0.00 0.00 60.65 59.45 1yau s ILE 6 Cb -0.04 -0.99 -0.06 0.00 1.25 0.00 0.00 42.46 42.62 1yau s ILE 6 CO -0.01 0.13 0.40 0.42 0.24 0.00 0.00 174.94 176.13 1yau s THR 7 N -0.64 5.12 0.00 8.37 -4.23 0.12 -1.71 115.64 122.67 1yau s THR 7 Ca 0.03 0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.80 1yau s THR 7 Cb -0.07 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.14 1yau s THR 7 CO 0.01 0.14 0.00 0.18 -0.54 0.00 0.00 174.62 174.40 1yau n LEU 8 N 0.42 0.00 -0.04 4.79 4.77 -0.01 -4.92 117.00 122.00 1yau n LEU 8 Ca -0.05 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.84 1yau n LEU 8 Cb 0.52 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1yau n LEU 8 CO 0.45 0.00 0.90 0.07 -1.33 0.00 0.00 177.39 177.49 1yau h LYS 9 N 0.00 0.14 -0.85 3.23 2.10 -1.84 -3.20 116.57 116.16 1yau h LYS 9 Ca 0.00 -0.01 -0.38 0.00 -2.00 0.00 0.00 60.65 58.26 1yau h LYS 9 Cb 0.00 -0.03 -0.41 0.00 -0.90 0.00 0.00 32.23 30.89 1yau h LYS 9 CO 0.00 0.10 -1.04 -0.25 -2.00 0.00 0.00 179.45 176.25 1yau n ASP 10 N -5.06 2.50 -3.58 7.07 10.43 -1.26 -4.65 116.55 122.00 1yau n ASP 10 Ca -0.03 -2.78 -0.15 0.00 2.57 0.00 0.00 54.79 54.40 1yau n ASP 10 Cb 0.08 -0.47 -0.06 0.00 1.84 0.00 0.00 41.12 42.51 1yau n ASP 10 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1yau s ALA 11 N -3.49 -1.37 -0.05 2.24 0.00 -1.21 -4.57 121.76 113.30 1yau s ALA 11 Ca 0.34 0.72 0.02 0.00 0.00 0.00 0.00 51.96 53.04 1yau s ALA 11 Cb 0.40 0.29 0.01 0.00 0.00 0.00 0.00 23.12 23.81 1yau s ALA 11 CO -0.02 -0.46 -0.11 0.08 0.00 0.00 0.00 175.76 175.24 1yau s VAL 12 N -2.12 1.05 -0.11 0.00 1.01 -0.79 -0.83 120.40 118.61 1yau s VAL 12 Ca -0.07 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1yau s VAL 12 Cb -0.01 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.41 1yau s VAL 12 CO 0.01 0.33 -0.19 -0.63 0.00 0.00 0.00 175.10 174.62 1yau s ILE 13 N 0.55 2.56 -0.00 2.22 1.01 -0.69 -0.90 121.20 125.95 1yau s ILE 13 Ca -0.11 -0.85 0.05 0.00 0.00 0.00 0.00 60.65 59.74 1yau s ILE 13 Cb -0.14 -2.02 -0.01 0.00 0.01 0.00 0.00 42.46 40.29 1yau s ILE 13 CO 0.03 0.55 -0.15 -0.04 0.00 0.00 0.00 174.94 175.33 1yau s MET 14 N 0.25 1.14 -0.00 2.79 -1.94 -0.62 -0.57 119.30 120.35 1yau s MET 14 Ca -0.13 -0.57 -0.19 0.00 -1.71 0.00 0.00 55.69 53.09 1yau s MET 14 Cb -0.16 -1.11 0.04 0.00 2.01 0.00 0.00 34.83 35.60 1yau s MET 14 CO 0.07 0.30 0.41 0.00 -0.01 0.00 0.00 175.02 175.79 1yau s ALA 15 N -0.44 -1.03 0.21 3.03 0.00 0.31 -1.10 121.76 122.73 1yau s ALA 15 Ca 0.05 0.50 -0.05 0.00 0.00 0.00 0.00 51.96 52.46 1yau s ALA 15 Cb -0.06 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 1yau s ALA 15 CO -0.00 -0.34 0.23 0.95 0.00 0.00 0.00 175.76 176.59 1yau s THR 16 N -1.68 0.01 0.00 0.00 -4.23 -0.64 0.11 115.64 109.22 1yau s THR 16 Ca -0.10 -1.80 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 1yau s THR 16 Cb -0.03 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.45 1yau s THR 16 CO 0.03 -0.04 0.00 -1.84 -0.54 0.00 0.00 174.62 172.23 1yau n GLU 17 N -0.29 2.41 0.00 3.99 -0.00 -0.99 -1.45 120.64 124.31 1yau n GLU 17 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1yau n GLU 17 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.09 1yau n GLU 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1yau n ARG 18 N -0.32 0.25 -2.59 3.44 1.74 0.23 -4.61 116.66 114.80 1yau n ARG 18 Ca 0.00 -0.44 -0.41 0.00 -0.77 0.00 0.00 57.85 56.23 1yau n ARG 18 Cb 0.00 -0.60 -0.04 0.00 -1.02 0.00 0.00 32.46 30.80 1yau n ARG 18 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1yau s ARG 19 N -0.11 4.59 -0.19 5.56 3.52 -0.87 0.09 118.95 131.55 1yau s ARG 19 Ca 0.00 1.61 0.01 0.00 -0.13 0.00 0.00 55.73 57.22 1yau s ARG 19 Cb 0.00 -3.34 0.03 0.00 -1.56 0.00 0.00 34.95 30.08 1yau s ARG 19 CO 0.00 0.04 -0.15 0.08 -0.81 0.00 0.00 175.30 174.46 1yau s VAL 20 N 0.22 1.86 0.27 7.11 1.01 -0.49 -4.79 120.40 125.59 1yau s VAL 20 Ca 0.51 -0.98 0.10 0.00 0.00 0.00 0.00 61.98 61.61 1yau s VAL 20 Cb -0.26 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1yau s VAL 20 CO 0.31 0.35 -0.03 0.42 0.00 0.00 0.00 175.10 176.16 1yau s THR 21 N 1.34 3.26 -0.39 3.92 -4.23 -1.26 -1.59 115.64 116.69 1yau s THR 21 Ca 0.02 -1.99 0.02 0.00 -1.18 0.00 0.00 61.69 58.56 1yau s THR 21 Cb -0.15 -2.76 0.11 0.00 1.34 0.00 0.00 72.50 71.04 1yau s THR 21 CO -0.10 -0.37 0.13 -0.04 -0.54 0.00 0.00 174.62 173.70 1yau s MET 22 N -3.65 1.71 6.42 3.99 -1.94 0.46 -4.89 119.30 121.41 1yau s MET 22 Ca 0.31 -1.99 0.00 0.00 -1.71 0.00 0.00 55.69 52.31 1yau s MET 22 Cb -0.06 -3.34 0.00 0.00 2.01 0.00 0.00 34.83 33.45 1yau s MET 22 CO 0.19 -1.00 0.00 0.39 -0.01 0.00 0.00 175.02 174.59 1yau n GLU 23 N 4.15 0.00 0.00 2.03 1.02 -1.26 -1.42 120.64 125.16 1yau n GLU 23 Ca 0.03 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.29 1yau n GLU 23 Cb 0.40 0.00 0.33 0.00 -0.02 0.00 0.00 31.44 32.16 1yau n GLU 23 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1yau n ASN 24 N 7.67 0.50 -4.59 1.62 0.23 -1.26 -4.84 115.26 114.60 1yau n ASN 24 Ca 0.00 -0.25 -0.42 0.00 -0.53 0.00 0.00 54.58 53.37 1yau n ASN 24 Cb 0.00 0.12 -0.02 0.00 -2.08 0.00 0.00 39.78 37.80 1yau n ASN 24 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1yau s PHE 25 N -2.91 2.50 -0.79 -2.53 2.19 -0.51 -4.95 117.98 110.97 1yau s PHE 25 Ca 0.14 0.53 -0.25 0.00 0.33 0.00 0.00 56.93 57.68 1yau s PHE 25 Cb 0.18 -4.43 0.00 0.00 -1.31 0.00 0.00 43.02 37.46 1yau s PHE 25 CO 0.64 -1.73 1.64 0.42 1.83 0.00 0.00 175.22 178.02 1yau s ILE 26 N 5.33 3.59 -0.04 3.12 1.01 -1.26 -0.40 121.20 132.54 1yau s ILE 26 Ca 0.50 -0.07 -0.25 0.00 0.00 0.00 0.00 60.65 60.83 1yau s ILE 26 Cb -0.10 -4.45 -0.20 0.00 0.01 0.00 0.00 42.46 37.73 1yau s ILE 26 CO 0.28 -1.38 1.15 0.24 0.00 0.00 0.00 174.94 175.22 1yau h MET 27 N 11.76 -0.06 -4.19 2.79 2.86 -1.64 -3.45 114.93 123.00 1yau h MET 27 Ca -0.09 0.00 -0.46 0.00 -2.06 0.00 0.00 59.70 57.09 1yau h MET 27 Cb 1.07 0.01 -0.35 0.00 0.06 0.00 0.00 31.60 32.39 1yau h MET 27 CO 1.28 0.47 -0.79 -1.01 1.06 0.00 0.00 176.91 177.91 1yau s HIS 28 N -3.93 1.08 -0.35 -0.22 3.76 -1.00 -5.00 115.29 109.62 1yau s HIS 28 Ca -0.16 -0.39 0.25 0.00 -0.15 0.00 0.00 55.06 54.61 1yau s HIS 28 Cb 0.01 -0.89 0.53 0.00 1.11 0.00 0.00 32.58 33.33 1yau s HIS 28 CO 0.64 -0.28 1.68 0.87 -0.85 0.00 0.00 174.74 176.80 1yau h LYS 29 N 7.36 0.00 -1.47 1.40 1.57 -1.87 -1.30 116.57 122.27 1yau h LYS 29 Ca -0.33 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.02 1yau h LYS 29 Cb 1.16 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.07 1yau h LYS 29 CO 0.44 0.00 -1.15 0.09 -0.57 0.00 0.00 179.45 178.27 1yau n ASN 30 N -3.08 1.53 -4.75 0.86 5.03 -1.22 -4.02 115.26 109.60 1yau n ASN 30 Ca 0.03 -2.93 -0.30 0.00 0.87 0.00 0.00 54.58 52.26 1yau n ASN 30 Cb 0.49 -0.56 0.12 0.00 -1.02 0.00 0.00 39.78 38.81 1yau n ASN 30 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1yau s GLY 31 N -2.90 1.61 -0.13 7.41 0.00 0.11 -5.03 107.32 108.40 1yau s GLY 31 Ca 0.34 -0.17 -0.02 0.00 0.00 0.00 0.00 44.72 44.87 1yau s GLY 31 CO -0.03 0.30 -0.06 1.25 0.00 0.00 0.00 173.10 174.56 1yau s LYS 32 N -5.05 3.41 0.00 2.90 2.20 -1.26 -4.54 119.74 117.40 1yau s LYS 32 Ca 0.63 -0.56 0.00 0.00 -0.36 0.00 0.00 55.97 55.67 1yau s LYS 32 Cb -0.16 -2.78 0.00 0.00 -1.51 0.00 0.00 37.83 33.37 1yau s LYS 32 CO 0.56 0.33 0.40 1.63 -0.36 0.00 0.00 175.35 177.91 1yau n LYS 33 N 3.23 0.24 -4.27 4.03 5.02 -1.26 -5.00 118.16 120.15 1yau n LYS 33 Ca -0.18 -0.48 -0.25 0.00 -2.02 0.00 0.00 58.31 55.38 1yau n LYS 33 Cb 0.53 -0.69 -0.17 0.00 -0.02 0.00 0.00 35.03 34.67 1yau n LYS 33 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1yau s LEU 34 N -0.16 1.43 0.02 -0.35 2.96 -1.26 -1.59 118.68 119.73 1yau s LEU 34 Ca 0.00 -0.29 0.03 0.00 -0.22 0.00 0.00 54.13 53.65 1yau s LEU 34 Cb 0.00 -0.81 -0.01 0.00 0.50 0.00 0.00 46.19 45.86 1yau s LEU 34 CO 0.00 -0.04 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.55 1yau s PHE 35 N 1.13 0.74 0.08 5.38 0.08 -0.68 -4.99 117.98 119.72 1yau s PHE 35 Ca -0.06 -0.27 -0.27 0.00 0.12 0.00 0.00 56.93 56.45 1yau s PHE 35 Cb -0.14 -0.45 -0.06 0.00 -0.57 0.00 0.00 43.02 41.80 1yau s PHE 35 CO -0.02 -0.02 0.84 -1.14 -0.10 0.00 0.00 175.22 174.78 1yau s GLN 36 N -0.76 4.58 0.00 0.44 0.74 -1.26 -0.32 119.66 123.08 1yau s GLN 36 Ca -0.01 1.22 0.00 0.00 0.05 0.00 0.00 55.36 56.62 1yau s GLN 36 Cb -0.06 -3.36 0.00 0.00 1.10 0.00 0.00 33.01 30.69 1yau s GLN 36 CO 0.00 0.27 0.17 0.44 -0.55 0.00 0.00 175.29 175.62 1yau n ILE 37 N 2.74 0.00 -3.82 -2.34 -5.35 -0.39 -4.93 119.36 105.28 1yau n ILE 37 Ca -0.01 -0.44 -0.06 0.00 -0.27 0.00 0.00 62.75 61.97 1yau n ILE 37 Cb 0.50 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.44 1yau n ILE 37 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1yau s ASP 38 N -0.54 -0.12 0.21 7.28 2.15 -1.12 -4.51 116.67 120.01 1yau s ASP 38 Ca 0.00 -0.70 -0.12 0.00 0.43 0.00 0.00 52.55 52.16 1yau s ASP 38 Cb 0.00 0.65 0.27 0.00 -0.30 0.00 0.00 42.92 43.55 1yau s ASP 38 CO 0.00 -1.25 1.65 0.74 -0.17 0.00 0.00 175.17 176.14 1yau h THR 39 N 2.00 0.47 -0.44 1.71 2.02 -1.98 -2.72 112.91 113.97 1yau h THR 39 Ca -0.25 -0.03 -0.32 0.00 0.77 0.00 0.00 66.41 66.57 1yau h THR 39 Cb 1.24 0.38 -0.26 0.00 -1.74 0.00 0.00 68.15 67.77 1yau h THR 39 CO 0.31 0.01 -0.70 -1.22 0.37 0.00 0.00 175.52 174.29 1yau n TYR 40 N -5.32 1.61 -3.77 3.16 4.01 -1.26 -3.18 117.16 112.41 1yau n TYR 40 Ca 0.08 -1.92 -0.15 0.00 -0.16 0.00 0.00 57.90 55.75 1yau n TYR 40 Cb 0.34 -0.30 -0.16 0.00 -0.31 0.00 0.00 39.34 38.91 1yau n TYR 40 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1yau s THR 41 N -4.00 -0.05 0.34 -0.72 2.01 -1.03 -1.71 115.64 110.48 1yau s THR 41 Ca 0.45 0.22 0.09 0.00 0.31 0.00 0.00 61.69 62.77 1yau s THR 41 Cb 0.39 -0.09 -0.06 0.00 0.01 0.00 0.00 72.50 72.75 1yau s THR 41 CO -0.01 0.10 -0.04 -0.83 -0.69 0.00 0.00 174.62 173.15 1yau s GLY 42 N 1.14 2.10 -0.01 4.40 0.00 0.12 -1.26 107.32 113.80 1yau s GLY 42 Ca -0.08 -2.00 0.00 0.00 0.00 0.00 0.00 44.72 42.64 1yau s GLY 42 CO -0.03 -1.95 0.01 -0.29 0.00 0.00 0.00 173.10 170.84 1yau s MET 43 N -3.66 0.04 0.14 2.90 1.75 0.56 -1.35 119.30 119.68 1yau s MET 43 Ca 0.33 0.08 0.06 0.00 -1.25 0.00 0.00 55.69 54.92 1yau s MET 43 Cb 0.00 -0.18 -0.04 0.00 2.84 0.00 0.00 34.83 37.45 1yau s MET 43 CO 0.18 -0.08 0.01 0.95 -0.65 0.00 0.00 175.02 175.43 1yau s THR 44 N 0.57 3.87 0.01 10.11 -4.23 -0.54 -1.68 115.64 123.74 1yau s THR 44 Ca -0.05 -1.25 0.07 0.00 -1.18 0.00 0.00 61.69 59.28 1yau s THR 44 Cb -0.07 -2.91 -0.02 0.00 1.34 0.00 0.00 72.50 70.84 1yau s THR 44 CO -0.01 -0.03 -0.21 0.27 -0.54 0.00 0.00 174.62 174.10 1yau s ILE 45 N -1.58 1.64 0.03 2.99 -4.36 -0.62 -2.32 121.20 116.98 1yau s ILE 45 Ca 0.27 -1.02 -0.05 0.00 -0.26 0.00 0.00 60.65 59.59 1yau s ILE 45 Cb -0.10 -1.39 -0.01 0.00 1.25 0.00 0.00 42.46 42.21 1yau s ILE 45 CO 0.19 0.34 0.09 0.00 0.24 0.00 0.00 174.94 175.80 1yau s ALA 46 N -0.62 -0.08 0.00 2.27 0.00 -0.98 -4.90 121.76 117.44 1yau s ALA 46 Ca 0.08 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1yau s ALA 46 Cb -0.08 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.26 1yau s ALA 46 CO 0.00 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 175.89 1yau n GLY 47 N 0.94 0.25 3.70 0.00 0.00 -1.26 -1.72 105.19 107.10 1yau n GLY 47 Ca -0.20 -1.83 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 1yau n GLY 47 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1yau s LEU 48 N 0.00 4.34 0.08 0.99 2.96 0.63 -4.92 118.68 122.76 1yau s LEU 48 Ca 0.00 2.10 -0.20 0.00 -0.22 0.00 0.00 54.13 55.80 1yau s LEU 48 Cb 0.00 -3.57 -0.10 0.00 0.50 0.00 0.00 46.19 43.02 1yau s LEU 48 CO 0.00 -0.61 1.57 0.58 -1.32 0.00 0.00 176.35 176.57 1yau h VAL 49 N 4.65 1.20 -0.83 1.68 2.07 -1.94 -1.82 116.25 121.27 1yau h VAL 49 Ca -0.39 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 1yau h VAL 49 Cb 1.19 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 32.20 1yau h VAL 49 CO 0.86 0.20 0.46 1.23 0.02 0.00 0.00 177.57 180.35 1yau h GLY 50 N 0.11 1.22 0.92 2.17 0.00 -1.99 -1.03 103.07 104.46 1yau h GLY 50 Ca 0.06 -0.53 -0.00 0.00 0.00 0.00 0.00 47.33 46.85 1yau h GLY 50 CO 0.00 0.51 -0.11 -0.55 0.00 0.00 0.00 176.54 176.39 1yau h ASP 51 N 1.15 -0.29 -0.65 0.19 3.32 -1.92 -2.07 116.42 116.15 1yau h ASP 51 Ca 0.29 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.36 1yau h ASP 51 Cb 0.01 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1yau h ASP 51 CO -0.05 -0.18 0.39 0.00 -1.72 0.00 0.00 179.24 177.67 1yau h ALA 52 N 0.54 0.83 -0.47 3.45 0.00 -0.93 -1.54 119.26 121.14 1yau h ALA 52 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1yau h ALA 52 Cb 0.24 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1yau h ALA 52 CO 0.01 0.32 0.31 1.96 0.00 0.00 0.00 179.25 181.84 1yau h GLN 53 N 0.89 0.62 -0.51 0.00 4.20 -1.20 0.24 115.11 119.35 1yau h GLN 53 Ca 0.23 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.92 1yau h GLN 53 Cb -0.01 -0.14 -0.03 0.00 0.30 0.00 0.00 27.48 27.60 1yau h GLN 53 CO -0.04 0.41 0.33 0.28 -0.67 0.00 0.00 178.83 179.13 1yau h VAL 54 N 0.64 1.11 -0.72 -0.54 2.07 -1.23 -1.83 116.25 115.74 1yau h VAL 54 Ca 0.17 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 1yau h VAL 54 Cb -0.07 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 1yau h VAL 54 CO -0.04 0.12 0.29 -0.07 0.02 0.00 0.00 177.57 177.89 1yau h LEU 55 N 0.66 0.99 -0.85 2.57 3.38 -0.80 -1.40 115.31 119.86 1yau h LEU 55 Ca 0.19 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 1yau h LEU 55 Cb -0.05 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 1yau h LEU 55 CO -0.06 0.89 0.43 0.58 0.09 0.00 0.00 178.44 180.38 1yau h VAL 56 N 1.03 1.26 -0.50 1.22 2.07 -0.74 -1.00 116.25 119.59 1yau h VAL 56 Ca 0.24 -0.68 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 1yau h VAL 56 Cb 0.21 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1yau h VAL 56 CO -0.02 0.30 0.15 0.03 0.02 0.00 0.00 177.57 178.05 1yau h ARG 57 N 1.20 0.79 -0.55 1.57 3.08 -1.14 -1.55 114.38 117.79 1yau h ARG 57 Ca 0.30 -0.18 0.01 0.00 0.07 0.00 0.00 59.98 60.18 1yau h ARG 57 Cb 0.08 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 1yau h ARG 57 CO -0.04 0.74 0.36 1.88 -1.07 0.00 0.00 179.97 181.84 1yau h TYR 58 N 0.69 0.68 -0.26 3.04 0.99 -1.01 -2.50 116.97 118.60 1yau h TYR 58 Ca 0.16 0.02 -0.19 0.00 2.00 0.00 0.00 58.73 60.72 1yau h TYR 58 Cb 0.29 -0.23 0.00 0.00 1.00 0.00 0.00 36.73 37.79 1yau h TYR 58 CO 0.02 0.42 -0.59 0.52 -0.00 0.00 0.00 178.16 178.54 1yau h MET 59 N 0.73 0.85 -0.71 4.88 2.86 -1.13 0.18 114.93 122.59 1yau h MET 59 Ca 0.20 -0.56 0.07 0.00 -2.06 0.00 0.00 59.70 57.35 1yau h MET 59 Cb -0.07 0.08 -0.06 0.00 0.06 0.00 0.00 31.60 31.60 1yau h MET 59 CO -0.05 1.19 0.40 0.87 1.06 0.00 0.00 176.91 180.38 1yau h LYS 60 N 0.64 0.70 -0.05 1.72 1.57 -1.22 -1.19 116.57 118.74 1yau h LYS 60 Ca 0.00 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1yau h LYS 60 Cb 1.19 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1yau h LYS 60 CO 0.13 0.46 -0.29 0.00 -0.57 0.00 0.00 179.45 179.18 1yau h ALA 61 N 1.37 0.10 -0.34 3.86 0.00 -1.30 -2.67 119.26 120.29 1yau h ALA 61 Ca 0.32 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 1yau h ALA 61 Cb 0.22 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1yau h ALA 61 CO -0.20 0.14 -0.30 1.49 0.00 0.00 0.00 179.25 180.38 1yau h GLU 62 N -0.26 0.72 -0.17 0.00 4.57 -0.89 -0.49 114.58 118.05 1yau h GLU 62 Ca -0.02 -0.32 -0.19 0.00 -1.18 0.00 0.00 59.36 57.64 1yau h GLU 62 Cb 0.96 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.53 1yau h GLU 62 CO 0.06 0.93 -0.67 -0.07 -1.18 0.00 0.00 179.01 178.08 1yau h LEU 63 N 0.61 0.78 0.25 1.64 3.38 -1.25 0.26 115.31 120.97 1yau h LEU 63 Ca 0.07 -0.47 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 1yau h LEU 63 Cb 0.82 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1yau h LEU 63 CO 0.07 1.23 -0.15 -0.08 0.09 0.00 0.00 178.44 179.61 1yau h GLU 64 N 0.49 -0.36 -0.17 1.13 4.81 -1.49 -1.04 114.58 117.95 1yau h GLU 64 Ca -0.02 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.29 1yau h GLU 64 Cb 1.26 0.08 -0.06 0.00 0.63 0.00 0.00 28.75 30.66 1yau h GLU 64 CO 0.13 -0.24 -0.25 1.25 -0.73 0.00 0.00 179.01 179.17 1yau h LEU 65 N -0.38 -0.78 -0.67 1.64 5.85 -0.82 -2.33 115.31 117.82 1yau h LEU 65 Ca -0.03 0.13 0.07 0.00 0.84 0.00 0.00 57.88 58.90 1yau h LEU 65 Cb 0.31 0.35 -0.06 0.00 0.37 0.00 0.00 40.66 41.63 1yau h LEU 65 CO 0.03 -0.29 0.35 0.22 -0.34 0.00 0.00 178.44 178.40 1yau h TYR 66 N -0.30 0.63 -0.84 1.25 5.03 -0.40 -1.07 116.97 121.27 1yau h TYR 66 Ca 0.11 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.43 1yau h TYR 66 Cb 0.47 -0.18 -0.04 0.00 1.55 0.00 0.00 36.73 38.52 1yau h TYR 66 CO -0.36 0.27 0.43 -0.09 -1.32 0.00 0.00 178.16 177.08 1yau h ARG 67 N 0.62 1.18 -0.36 1.82 2.43 -0.97 0.46 114.38 119.56 1yau h ARG 67 Ca 0.32 -0.16 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 1yau h ARG 67 Cb 0.27 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1yau h ARG 67 CO -0.22 0.89 -0.01 -0.07 -1.51 0.00 0.00 179.97 179.04 1yau h LEU 68 N 1.18 0.64 -0.32 3.80 4.07 -0.82 0.12 115.31 123.98 1yau h LEU 68 Ca 0.29 -0.32 -0.10 0.00 0.08 0.00 0.00 57.88 57.83 1yau h LEU 68 Cb 0.07 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.63 1yau h LEU 68 CO -0.04 0.80 -0.21 1.56 -1.08 0.00 0.00 178.44 179.47 1yau h GLN 69 N 0.46 0.70 0.00 1.13 4.20 -0.99 -3.32 115.11 117.29 1yau h GLN 69 Ca 0.10 -0.33 -0.07 0.00 0.06 0.00 0.00 58.65 58.41 1yau h GLN 69 Cb 0.48 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1yau h GLN 69 CO 0.02 0.94 -1.62 0.54 -0.67 0.00 0.00 178.83 178.04 1yau n ARG 70 N -4.31 0.64 -1.43 1.46 3.00 0.13 -4.98 116.66 111.18 1yau n ARG 70 Ca -0.03 0.00 -0.15 0.00 -0.01 0.00 0.00 57.85 57.67 1yau n ARG 70 Cb 0.42 -1.67 -0.06 0.00 0.00 0.00 0.00 32.46 31.15 1yau n ARG 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1yau n ARG 71 N -2.57 -1.15 -4.08 5.56 1.74 0.42 -4.98 116.66 111.61 1yau n ARG 71 Ca -0.07 1.01 -0.07 0.00 -0.77 0.00 0.00 57.85 57.95 1yau n ARG 71 Cb 0.68 -5.18 -0.10 0.00 -1.02 0.00 0.00 32.46 26.84 1yau n ARG 71 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1yau s VAL 72 N -2.48 0.21 0.46 1.55 -7.23 -1.25 -5.05 120.40 106.62 1yau s VAL 72 Ca 0.00 -1.77 -0.23 0.00 -1.81 0.00 0.00 61.98 58.17 1yau s VAL 72 Cb 0.00 -1.46 -0.08 0.00 0.56 0.00 0.00 36.38 35.40 1yau s VAL 72 CO 0.00 -0.98 1.15 0.20 -0.31 0.00 0.00 175.10 175.17 1yau s ASN 73 N -2.85 6.22 0.13 4.85 -0.87 -1.26 -4.11 114.94 117.04 1yau s ASN 73 Ca 0.06 2.27 -0.32 0.00 -1.57 0.00 0.00 52.86 53.30 1yau s ASN 73 Cb 0.07 -2.60 -0.12 0.00 -0.02 0.00 0.00 41.25 38.58 1yau s ASN 73 CO -0.10 -0.88 1.76 0.80 -2.57 0.00 0.00 177.10 176.12 1yau n MET 74 N -0.47 2.59 -1.87 -0.60 0.00 -1.26 -4.95 117.12 110.56 1yau n MET 74 Ca 0.07 0.94 -0.37 0.00 -0.00 0.00 0.00 57.70 58.34 1yau n MET 74 Cb 0.48 -2.79 0.04 0.00 0.00 0.00 0.00 33.22 30.95 1yau n MET 74 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 1yau s PRO 75 N 2.14 3.06 0.33 2.12 0.02 -1.26 -4.79 135.00 136.62 1yau s PRO 75 Ca 0.81 2.07 0.03 0.00 0.02 0.00 0.00 61.00 63.93 1yau s PRO 75 Cb -0.55 -2.13 0.62 0.00 0.02 0.00 0.00 34.50 32.46 1yau s PRO 75 CO 0.38 -1.20 1.95 0.82 -0.33 0.00 0.00 177.00 178.62 1yau h ILE 76 N 1.21 1.08 0.00 2.83 1.08 -1.92 0.29 117.51 122.08 1yau h ILE 76 Ca -0.51 -0.31 -0.06 0.00 -0.39 0.00 0.00 64.86 63.59 1yau h ILE 76 Cb 1.30 0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 35.14 1yau h ILE 76 CO 0.56 0.17 -0.28 -0.08 -0.69 0.00 0.00 178.15 177.83 1yau h GLU 77 N 0.91 0.00 0.00 2.37 4.81 -1.99 -1.75 114.58 118.94 1yau h GLU 77 Ca 0.32 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.31 1yau h GLU 77 Cb 0.13 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.52 1yau h GLU 77 CO -0.10 0.28 -0.98 0.00 -0.73 0.00 0.00 179.01 177.48 1yau h ALA 78 N 1.72 0.29 -0.22 2.92 0.00 -0.84 -0.95 119.26 122.18 1yau h ALA 78 Ca -0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1yau h ALA 78 Cb 0.55 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1yau h ALA 78 CO 0.04 0.78 0.14 0.28 0.00 0.00 0.00 179.25 180.49 1yau h VAL 79 N 0.28 1.05 -0.75 0.00 2.07 -0.79 -0.44 116.25 117.67 1yau h VAL 79 Ca -0.10 -0.10 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 1yau h VAL 79 Cb 1.62 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 1yau h VAL 79 CO 0.18 0.05 0.23 0.00 0.02 0.00 0.00 177.57 178.05 1yau h ALA 80 N 1.08 1.00 -0.60 1.67 0.00 -1.27 -1.91 119.26 119.22 1yau h ALA 80 Ca 0.08 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1yau h ALA 80 Cb -0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1yau h ALA 80 CO -0.02 0.67 0.19 1.15 0.00 0.00 0.00 179.25 181.24 1yau h THR 81 N 1.12 1.24 0.20 0.00 2.02 -0.97 0.13 112.91 116.65 1yau h THR 81 Ca 0.24 -0.82 -0.00 0.00 0.77 0.00 0.00 66.41 66.60 1yau h THR 81 Cb 0.31 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1yau h THR 81 CO -0.01 0.31 -0.16 0.25 0.37 0.00 0.00 175.52 176.29 1yau h LEU 82 N 0.86 -0.40 -0.63 2.58 5.85 -0.96 -1.34 115.31 121.27 1yau h LEU 82 Ca 0.20 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.98 1yau h LEU 82 Cb 0.28 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 1yau h LEU 82 CO -0.01 -0.24 0.38 -0.07 -0.34 0.00 0.00 178.44 178.16 1yau h LEU 83 N -0.37 0.62 -0.25 2.25 3.38 -1.27 -1.24 115.31 118.44 1yau h LEU 83 Ca -0.01 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.03 1yau h LEU 83 Cb 0.32 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 1yau h LEU 83 CO -0.01 0.43 -0.25 0.28 0.09 0.00 0.00 178.44 178.98 1yau h SER 84 N 0.75 -0.80 -0.48 -0.43 0.02 -0.54 -0.73 113.55 111.35 1yau h SER 84 Ca 0.26 0.14 0.02 0.00 -0.84 0.00 0.00 61.79 61.37 1yau h SER 84 Cb 0.04 0.37 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 1yau h SER 84 CO -0.11 -0.28 0.28 0.78 -1.14 0.00 0.00 176.83 176.36 1yau h ASN 85 N -0.25 0.45 -0.57 3.07 2.35 -0.98 -1.34 115.58 118.31 1yau h ASN 85 Ca 0.14 0.01 0.04 0.00 -0.55 0.00 0.00 56.30 55.93 1yau h ASN 85 Cb 0.47 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.70 1yau h ASN 85 CO -0.39 0.32 0.33 0.24 -1.65 0.00 0.00 177.43 176.27 1yau h MET 86 N 0.56 0.62 0.19 0.81 2.86 -0.77 -1.79 114.93 117.41 1yau h MET 86 Ca 0.19 -0.04 -0.32 0.00 -2.06 0.00 0.00 59.70 57.48 1yau h MET 86 Cb 0.02 -0.14 0.02 0.00 0.06 0.00 0.00 31.60 31.57 1yau h MET 86 CO -0.09 0.41 -1.44 -0.07 1.06 0.00 0.00 176.91 176.78 1yau h LEU 87 N 0.63 0.64 -1.12 1.22 3.38 -0.98 -3.23 115.31 115.85 1yau h LEU 87 Ca 0.24 -0.73 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 1yau h LEU 87 Cb 0.08 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1yau h LEU 87 CO -0.13 1.58 0.28 -1.13 0.09 0.00 0.00 178.44 179.13 1yau h ASN 88 N 0.11 0.82 0.33 -0.43 -0.73 -1.26 -2.55 115.58 111.87 1yau h ASN 88 Ca -0.22 -0.09 -0.01 0.00 1.87 0.00 0.00 56.30 57.85 1yau h ASN 88 Cb 2.09 -0.21 -0.00 0.00 0.27 0.00 0.00 38.32 40.47 1yau h ASN 88 CO 0.23 0.71 -0.04 1.56 -0.37 0.00 0.00 177.43 179.53 1yau h GLN 89 N 0.89 0.00 -0.09 6.67 4.20 -1.34 -1.62 115.11 123.83 1yau h GLN 89 Ca 0.22 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.89 1yau h GLN 89 Cb 0.12 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1yau h GLN 89 CO -0.03 0.04 -0.30 1.33 -0.67 0.00 0.00 178.83 179.20 1yau n VAL 90 N -3.32 2.23 -0.04 -0.54 0.24 -1.07 -4.86 118.33 110.96 1yau n VAL 90 Ca -0.02 -2.91 0.20 0.00 -2.04 0.00 0.00 64.34 59.57 1yau n VAL 90 Cb 0.17 -0.26 0.66 0.00 -1.47 0.00 0.00 33.84 32.94 1yau n VAL 90 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 1yau h LYS 91 N 0.86 0.08 0.00 7.34 2.10 -0.88 0.10 116.57 126.17 1yau h LYS 91 Ca 0.05 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 1yau h LYS 91 Cb 1.16 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 1yau h LYS 91 CO 0.09 0.05 -0.38 0.66 -2.00 0.00 0.00 179.45 177.88 1yau n TYR 92 N -4.39 0.65 -3.12 0.07 4.02 -1.26 -3.81 117.16 109.32 1yau n TYR 92 Ca 0.11 0.19 -0.23 0.00 -0.01 0.00 0.00 57.90 57.96 1yau n TYR 92 Cb 0.61 -0.74 -0.04 0.00 -0.02 0.00 0.00 39.34 39.15 1yau n TYR 92 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 1yau n MET 93 N -2.12 2.02 -1.96 -0.72 2.81 0.30 -5.14 117.12 112.32 1yau n MET 93 Ca 0.04 -4.10 -0.32 0.00 -1.81 0.00 0.00 57.70 51.52 1yau n MET 93 Cb 0.43 -1.93 0.01 0.00 -0.71 0.00 0.00 33.22 31.02 1yau n MET 93 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1yau s PRO 94 N -2.72 3.38 -0.07 0.03 0.04 -0.84 -4.90 135.00 129.93 1yau s PRO 94 Ca 0.43 1.02 -0.30 0.00 0.04 0.00 0.00 61.00 62.20 1yau s PRO 94 Cb 0.28 -2.05 -0.06 0.00 0.04 0.00 0.00 34.50 32.71 1yau s PRO 94 CO -0.10 -0.75 1.76 0.71 0.04 0.00 0.00 177.00 178.66 1yau s TYR 95 N -2.75 1.78 -1.34 0.56 1.51 -1.26 -4.94 117.35 110.91 1yau s TYR 95 Ca 0.60 0.11 -0.10 0.00 -1.01 0.00 0.00 57.07 56.67 1yau s TYR 95 Cb -0.14 -4.01 0.12 0.00 -0.11 0.00 0.00 41.96 37.83 1yau s TYR 95 CO 0.43 -4.13 2.04 -1.33 -1.11 0.00 0.00 175.55 171.44 1yau n MET 96 N 7.42 3.50 -4.21 -0.62 2.81 -1.26 -4.63 117.12 120.13 1yau n MET 96 Ca 0.19 -3.24 -0.14 0.00 -1.81 0.00 0.00 57.70 52.70 1yau n MET 96 Cb 0.43 -2.99 -0.10 0.00 -0.71 0.00 0.00 33.22 29.84 1yau n MET 96 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1yau s VAL 97 N 1.05 1.02 -0.09 2.03 -7.23 -1.26 -0.27 120.40 115.64 1yau s VAL 97 Ca 0.43 -1.87 0.03 0.00 -1.81 0.00 0.00 61.98 58.77 1yau s VAL 97 Cb 0.12 -1.62 -0.01 0.00 0.56 0.00 0.00 36.38 35.42 1yau s VAL 97 CO -0.03 -0.68 -0.20 -1.10 -0.31 0.00 0.00 175.10 172.78 1yau s GLN 98 N -3.35 2.96 0.03 4.82 -0.21 -0.70 -3.26 119.66 119.95 1yau s GLN 98 Ca 0.11 -0.81 0.08 0.00 0.02 0.00 0.00 55.36 54.76 1yau s GLN 98 Cb 0.01 -2.37 -0.03 0.00 1.00 0.00 0.00 33.01 31.61 1yau s GLN 98 CO -0.00 0.29 -0.23 -0.51 -2.12 0.00 0.00 175.29 172.72 1yau s LEU 99 N 0.09 2.34 -0.11 2.90 1.43 0.31 -2.32 118.68 123.32 1yau s LEU 99 Ca -0.09 -0.49 -0.00 0.00 -1.03 0.00 0.00 54.13 52.51 1yau s LEU 99 Cb -0.15 -1.39 -0.02 0.00 0.03 0.00 0.00 46.19 44.65 1yau s LEU 99 CO 0.06 0.27 -0.09 -0.76 0.23 0.00 0.00 176.35 176.06 1yau s LEU 100 N -1.19 2.97 -0.15 1.79 1.43 -0.98 -0.68 118.68 121.86 1yau s LEU 100 Ca 0.12 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 53.04 1yau s LEU 100 Cb -0.10 -1.67 -0.00 0.00 0.03 0.00 0.00 46.19 44.45 1yau s LEU 100 CO 0.03 0.24 -0.15 -0.69 0.23 0.00 0.00 176.35 176.00 1yau s VAL 101 N -0.06 2.68 0.01 -1.59 1.01 0.15 -1.47 120.40 121.13 1yau s VAL 101 Ca -0.01 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1yau s VAL 101 Cb -0.14 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 1yau s VAL 101 CO 0.03 0.52 -0.10 -0.83 0.00 0.00 0.00 175.10 174.72 1yau s GLY 102 N 0.74 0.52 0.00 4.51 0.00 -0.46 -0.16 107.32 112.46 1yau s GLY 102 Ca -0.07 -0.52 0.00 0.00 0.00 0.00 0.00 44.72 44.13 1yau s GLY 102 CO 0.01 -0.48 0.00 0.61 0.00 0.00 0.00 173.10 173.24 1yau n GLY 103 N 2.48 -1.24 3.26 0.20 0.00 -0.67 0.11 105.19 109.33 1yau n GLY 103 Ca -0.16 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.56 1yau n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yau s ILE 104 N -2.38 2.94 0.00 -0.61 -1.09 -0.69 -1.43 121.20 117.94 1yau s ILE 104 Ca 0.00 -0.65 0.00 0.00 -2.23 0.00 0.00 60.65 57.77 1yau s ILE 104 Cb 0.00 -2.30 0.00 0.00 -1.58 0.00 0.00 42.46 38.58 1yau s ILE 104 CO 0.00 0.47 0.00 -0.90 -1.23 0.00 0.00 174.94 173.28 1yau n ASP 105 N 4.59 0.00 -0.80 3.58 5.68 -1.26 -4.80 116.55 123.54 1yau n ASP 105 Ca -0.19 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.21 1yau n ASP 105 Cb 0.51 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.79 1yau n ASP 105 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1yau n THR 106 N 0.00 0.28 -3.62 2.12 -2.24 -1.26 -4.96 114.28 104.61 1yau n THR 106 Ca 0.00 -0.50 -0.07 0.00 -2.27 0.00 0.00 64.05 61.22 1yau n THR 106 Cb 0.00 0.69 -0.02 0.00 -2.10 0.00 0.00 70.33 68.91 1yau n THR 106 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yau s ALA 107 N -1.72 -1.69 0.40 6.98 0.00 -1.26 -5.16 121.76 119.31 1yau s ALA 107 Ca 0.34 0.50 -0.24 0.00 0.00 0.00 0.00 51.96 52.57 1yau s ALA 107 Cb 0.20 0.59 -0.09 0.00 0.00 0.00 0.00 23.12 23.82 1yau s ALA 107 CO 0.29 -0.86 1.03 -2.14 0.00 0.00 0.00 175.76 174.08 1yau s PRO 108 N -3.32 4.19 -0.12 0.00 0.02 -1.26 -4.42 135.00 130.09 1yau s PRO 108 Ca 0.08 1.46 -0.09 0.00 0.02 0.00 0.00 61.00 62.47 1yau s PRO 108 Cb -0.01 -2.51 0.04 0.00 0.02 0.00 0.00 34.50 32.03 1yau s PRO 108 CO -0.04 -0.11 0.31 -1.01 -0.33 0.00 0.00 177.00 175.82 1yau s HIS 109 N -1.71 -0.38 -0.10 6.54 3.76 -0.51 -4.99 115.29 117.89 1yau s HIS 109 Ca 0.58 0.90 0.02 0.00 -0.15 0.00 0.00 55.06 56.41 1yau s HIS 109 Cb -0.20 0.13 0.01 0.00 1.11 0.00 0.00 32.58 33.63 1yau s HIS 109 CO 0.26 -0.21 -0.15 0.08 -0.85 0.00 0.00 174.74 173.86 1yau s VAL 110 N 0.61 1.49 -0.02 -0.90 1.01 -1.25 -1.67 120.40 119.67 1yau s VAL 110 Ca -0.04 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.36 1yau s VAL 110 Cb -0.05 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 1yau s VAL 110 CO -0.04 0.44 -0.20 -0.36 0.00 0.00 0.00 175.10 174.94 1yau s PHE 111 N 0.94 2.52 -0.19 5.22 0.40 0.77 -1.19 117.98 126.45 1yau s PHE 111 Ca -0.08 -0.29 -0.02 0.00 -0.60 0.00 0.00 56.93 55.94 1yau s PHE 111 Cb -0.15 -1.55 0.00 0.00 0.51 0.00 0.00 43.02 41.83 1yau s PHE 111 CO -0.01 0.10 -0.11 0.45 0.70 0.00 0.00 175.22 176.36 1yau s SER 112 N -0.80 3.86 -0.08 1.36 0.15 -0.05 -0.67 113.70 117.48 1yau s SER 112 Ca 0.11 -0.47 0.04 0.00 0.70 0.00 0.00 55.95 56.33 1yau s SER 112 Cb -0.10 -1.63 -0.02 0.00 -1.71 0.00 0.00 66.02 62.56 1yau s SER 112 CO 0.01 0.01 -0.19 -0.63 1.20 0.00 0.00 173.24 173.64 1yau s ILE 113 N 1.25 2.60 0.57 6.45 1.09 0.14 -1.50 121.20 131.80 1yau s ILE 113 Ca 0.03 -0.86 0.07 0.00 -1.10 0.00 0.00 60.65 58.79 1yau s ILE 113 Cb -0.14 -2.01 0.07 0.00 -1.06 0.00 0.00 42.46 39.31 1yau s ILE 113 CO -0.05 0.56 0.57 -0.90 -0.10 0.00 0.00 174.94 175.03 1yau n ASP 114 N 2.94 2.55 0.10 3.58 5.68 -0.38 -0.53 116.55 130.49 1yau n ASP 114 Ca -0.18 -2.79 0.12 0.00 -0.50 0.00 0.00 54.79 51.45 1yau n ASP 114 Cb 0.52 -0.19 0.45 0.00 -1.14 0.00 0.00 41.12 40.76 1yau n ASP 114 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1yau n ALA 115 N -2.02 2.00 0.02 2.12 0.00 -1.20 -1.43 120.51 120.00 1yau n ALA 115 Ca -0.16 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.41 1yau n ALA 115 Cb 0.63 -1.43 0.26 0.00 0.00 0.00 0.00 19.45 18.91 1yau n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yau n ALA 116 N -1.75 2.40 -0.61 0.00 0.00 -1.26 -4.61 120.51 114.68 1yau n ALA 116 Ca 0.04 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.35 1yau n ALA 116 Cb 0.33 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1yau n ALA 116 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yau n GLY 117 N 1.59 0.70 3.68 0.00 0.00 -0.51 -3.55 105.19 107.10 1yau n GLY 117 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 1yau n GLY 117 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1yau s GLY 118 N -1.99 1.53 -0.10 -0.02 0.00 -1.26 -4.49 107.32 100.99 1yau s GLY 118 Ca 0.00 1.18 0.02 0.00 0.00 0.00 0.00 44.72 45.92 1yau s GLY 118 CO 0.00 2.99 -0.14 -0.45 0.00 0.00 0.00 173.10 175.50 1yau s SER 119 N 2.79 2.24 -0.05 1.64 0.15 -1.26 -1.25 113.70 117.96 1yau s SER 119 Ca 0.76 -0.38 0.02 0.00 0.70 0.00 0.00 55.95 57.04 1yau s SER 119 Cb -0.39 -1.00 0.02 0.00 -1.71 0.00 0.00 66.02 62.94 1yau s SER 119 CO 0.33 0.01 -0.08 -0.69 1.20 0.00 0.00 173.24 174.01 1yau s VAL 120 N 0.96 0.78 0.30 4.45 1.01 -0.57 -4.97 120.40 122.37 1yau s VAL 120 Ca -0.08 -0.27 -0.27 0.00 0.00 0.00 0.00 61.98 61.36 1yau s VAL 120 Cb -0.15 -0.76 -0.10 0.00 0.00 0.00 0.00 36.38 35.38 1yau s VAL 120 CO -0.00 0.28 0.96 -0.70 0.00 0.00 0.00 175.10 175.63 1yau s GLU 121 N 0.80 4.63 0.21 2.72 2.12 -1.26 -0.87 118.70 127.05 1yau s GLU 121 Ca -0.13 1.41 -0.10 0.00 0.36 0.00 0.00 54.97 56.51 1yau s GLU 121 Cb -0.15 -2.93 -0.01 0.00 0.26 0.00 0.00 34.13 31.30 1yau s GLU 121 CO 0.02 0.31 0.37 0.34 -0.54 0.00 0.00 175.26 175.76 1yau s ASP 122 N -1.46 -0.02 0.12 -1.70 -1.08 -0.33 -4.96 116.67 107.23 1yau s ASP 122 Ca 0.48 -0.95 -0.09 0.00 -0.52 0.00 0.00 52.55 51.47 1yau s ASP 122 Cb -0.21 0.51 -0.10 0.00 -1.46 0.00 0.00 42.92 41.65 1yau s ASP 122 CO 0.27 -1.01 1.32 0.16 0.52 0.00 0.00 175.17 176.43 1yau h ILE 123 N 2.40 1.32 -3.95 4.11 3.07 -1.95 -3.32 117.51 119.20 1yau h ILE 123 Ca -0.29 -2.13 -0.11 0.00 1.55 0.00 0.00 64.86 63.88 1yau h ILE 123 Cb 1.24 2.14 -0.15 0.00 -0.27 0.00 0.00 36.82 39.78 1yau h ILE 123 CO 0.42 0.66 -0.51 -0.72 -1.05 0.00 0.00 178.15 176.95 1yau s TYR 124 N -3.58 0.28 0.06 0.16 -0.85 -1.26 0.14 117.35 112.31 1yau s TYR 124 Ca -0.08 -0.72 -0.22 0.00 -0.52 0.00 0.00 57.07 55.53 1yau s TYR 124 Cb 0.09 -0.19 0.05 0.00 0.38 0.00 0.00 41.96 42.29 1yau s TYR 124 CO 0.89 -0.45 0.52 0.00 -1.52 0.00 0.00 175.55 174.99 1yau s ALA 125 N -3.57 -1.32 -0.00 9.51 0.00 -0.40 -5.02 121.76 120.97 1yau s ALA 125 Ca 0.03 0.54 -0.02 0.00 0.00 0.00 0.00 51.96 52.51 1yau s ALA 125 Cb 0.04 0.45 -0.01 0.00 0.00 0.00 0.00 23.12 23.61 1yau s ALA 125 CO -0.09 -0.54 0.04 0.45 0.00 0.00 0.00 175.76 175.62 1yau s SER 126 N -2.10 0.07 0.37 0.00 0.15 -1.26 -1.50 113.70 109.44 1yau s SER 126 Ca -0.04 -0.19 0.03 0.00 0.70 0.00 0.00 55.95 56.46 1yau s SER 126 Cb -0.00 0.13 -0.04 0.00 -1.71 0.00 0.00 66.02 64.39 1yau s SER 126 CO -0.03 -0.20 0.09 0.42 1.20 0.00 0.00 173.24 174.72 1yau s THR 127 N -0.83 0.85 0.00 6.45 -4.23 -0.72 -4.89 115.64 112.28 1yau s THR 127 Ca -0.09 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 1yau s THR 127 Cb -0.06 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.25 1yau s THR 127 CO -0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 1yau n GLY 128 N -0.82 -1.01 0.32 3.99 0.00 -1.26 -2.24 105.19 104.17 1yau n GLY 128 Ca -0.05 -1.65 0.14 0.00 0.00 0.00 0.00 46.02 44.47 1yau n GLY 128 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1yau h SER 129 N 0.00 0.00 0.33 1.61 4.64 -1.72 -2.07 113.55 116.34 1yau h SER 129 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1yau h SER 129 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1yau h SER 129 CO 0.00 0.00 -0.18 0.61 -0.87 0.00 0.00 176.83 176.39 1yau n GLY 130 N -1.56 -0.84 0.36 -0.77 0.00 0.02 -4.42 105.19 97.99 1yau n GLY 130 Ca 0.03 -0.32 0.08 0.00 0.00 0.00 0.00 46.02 45.81 1yau n GLY 130 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1yau h SER 131 N 0.78 0.76 -0.80 1.61 4.64 -1.47 -1.94 113.55 117.13 1yau h SER 131 Ca 0.00 0.02 0.05 0.00 -0.47 0.00 0.00 61.79 61.39 1yau h SER 131 Cb 0.42 -0.14 -0.05 0.00 -0.31 0.00 0.00 62.40 62.33 1yau h SER 131 CO 0.00 0.45 0.53 -0.65 -0.87 0.00 0.00 176.83 176.29 1yau h PRO 132 N 0.84 0.89 -0.65 4.77 0.11 -1.82 0.22 132.00 136.37 1yau h PRO 132 Ca 0.40 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 66.39 1yau h PRO 132 Cb 0.42 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.30 1yau h PRO 132 CO -0.17 0.59 0.16 0.74 -0.21 0.00 0.00 178.00 179.11 1yau h PHE 133 N 0.92 1.10 -0.40 0.65 0.04 -1.67 -2.27 116.94 115.30 1yau h PHE 133 Ca 0.34 -0.13 -0.04 0.00 2.80 0.00 0.00 57.97 60.93 1yau h PHE 133 Cb 0.16 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 37.98 1yau h PHE 133 CO -0.00 0.91 0.10 0.28 -0.60 0.00 0.00 178.31 178.99 1yau h VAL 134 N 0.97 1.23 -0.38 -0.55 2.07 -1.36 -2.59 116.25 115.63 1yau h VAL 134 Ca 0.20 -0.79 0.04 0.00 0.82 0.00 0.00 66.70 66.98 1yau h VAL 134 Cb 0.36 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1yau h VAL 134 CO 0.00 0.27 0.26 1.88 0.02 0.00 0.00 177.57 180.00 1yau h TYR 135 N 0.50 0.34 0.55 1.57 0.05 -0.72 0.16 116.97 119.43 1yau h TYR 135 Ca 0.13 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.89 1yau h TYR 135 Cb 0.31 -0.11 0.01 0.00 1.01 0.00 0.00 36.73 37.95 1yau h TYR 135 CO 0.02 0.19 -0.26 0.78 -1.05 0.00 0.00 178.16 177.84 1yau h GLY 136 N 0.35 -0.77 0.48 3.88 0.00 -1.12 -0.65 103.07 105.24 1yau h GLY 136 Ca 0.16 0.29 0.03 0.00 0.00 0.00 0.00 47.33 47.81 1yau h GLY 136 CO -0.04 -0.28 -0.21 -2.08 0.00 0.00 0.00 176.54 173.93 1yau h VAL 137 N -0.87 0.50 -0.47 4.60 2.07 -1.07 -2.64 116.25 118.36 1yau h VAL 137 Ca -0.08 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.49 1yau h VAL 137 Cb 0.62 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1yau h VAL 137 CO 0.12 0.00 0.23 -0.07 0.02 0.00 0.00 177.57 177.87 1yau h LEU 138 N -0.33 0.32 -0.96 2.57 3.38 -0.70 0.34 115.31 119.94 1yau h LEU 138 Ca 0.07 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.13 1yau h LEU 138 Cb 0.42 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 1yau h LEU 138 CO -0.21 0.23 0.62 -0.33 0.09 0.00 0.00 178.44 178.84 1yau h GLU 139 N 0.45 1.10 0.06 1.13 4.39 -1.00 0.62 114.58 121.34 1yau h GLU 139 Ca 0.21 -0.07 -0.25 0.00 0.34 0.00 0.00 59.36 59.59 1yau h GLU 139 Cb 0.13 -0.25 0.01 0.00 -0.10 0.00 0.00 28.75 28.54 1yau h GLU 139 CO -0.15 0.73 -1.08 1.03 -1.16 0.00 0.00 179.01 178.37 1yau h SER 140 N 1.13 0.58 0.00 1.42 0.87 -1.00 -3.40 113.55 113.15 1yau h SER 140 Ca 0.41 -0.52 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 1yau h SER 140 Cb 0.15 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.93 1yau h SER 140 CO -0.17 1.34 -0.02 0.00 -0.53 0.00 0.00 176.83 177.45 1yau n GLN 141 N -3.71 4.97 -2.51 2.24 6.02 0.04 -5.04 117.38 119.41 1yau n GLN 141 Ca -0.09 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.51 1yau n GLN 141 Cb 0.91 -0.38 -0.04 0.00 1.02 0.00 0.00 30.24 31.75 1yau n GLN 141 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1yau s TYR 142 N -0.75 3.56 -0.02 1.08 5.04 0.19 -5.02 117.35 121.43 1yau s TYR 142 Ca 0.00 1.71 -0.00 0.00 -2.44 0.00 0.00 57.07 56.34 1yau s TYR 142 Cb 0.00 -3.24 0.02 0.00 0.35 0.00 0.00 41.96 39.10 1yau s TYR 142 CO 0.00 -0.48 0.03 0.45 -1.34 0.00 0.00 175.55 174.20 1yau s SER 143 N -1.02 0.04 0.46 4.32 0.15 -1.26 -4.98 113.70 111.41 1yau s SER 143 Ca 0.46 0.04 0.31 0.00 0.70 0.00 0.00 55.95 57.47 1yau s SER 143 Cb -0.30 -0.04 1.64 0.00 -1.71 0.00 0.00 66.02 65.62 1yau s SER 143 CO 0.38 -0.09 1.95 -0.33 1.20 0.00 0.00 173.24 176.35 1yau h GLU 144 N 6.95 0.00 -0.05 5.44 5.08 -1.96 -2.33 114.58 127.72 1yau h GLU 144 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1yau h GLU 144 Cb 1.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1yau h GLU 144 CO 0.49 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.13 1yau n LYS 145 N -2.62 1.95 -1.89 2.33 5.02 -1.26 -4.39 118.16 117.30 1yau n LYS 145 Ca -0.02 -1.39 -0.38 0.00 -2.02 0.00 0.00 58.31 54.51 1yau n LYS 145 Cb 0.08 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 33.65 1yau n LYS 145 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1yau s MET 146 N -1.96 3.35 0.85 1.97 -1.94 -0.88 -5.03 119.30 115.66 1yau s MET 146 Ca 0.34 2.15 -0.13 0.00 -1.71 0.00 0.00 55.69 56.35 1yau s MET 146 Cb 0.20 -2.35 0.11 0.00 2.01 0.00 0.00 34.83 34.80 1yau s MET 146 CO 0.32 -0.99 1.19 0.95 -0.01 0.00 0.00 175.02 176.47 1yau s THR 147 N -1.34 1.99 0.13 2.05 -4.23 -1.26 -4.68 115.64 108.30 1yau s THR 147 Ca 0.68 0.00 -0.21 0.00 -1.18 0.00 0.00 61.69 60.98 1yau s THR 147 Cb -0.38 -2.95 -0.03 0.00 1.34 0.00 0.00 72.50 70.47 1yau s THR 147 CO 0.46 0.00 1.69 0.58 -0.54 0.00 0.00 174.62 176.81 1yau h VAL 148 N -1.23 0.72 -0.78 2.29 2.07 -1.98 -0.09 116.25 117.26 1yau h VAL 148 Ca -0.47 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1yau h VAL 148 Cb 1.32 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 1yau h VAL 148 CO 0.61 0.00 0.48 0.44 0.02 0.00 0.00 177.57 179.12 1yau h ASP 149 N -0.09 0.92 -0.15 0.57 3.45 -1.99 0.17 116.42 119.30 1yau h ASP 149 Ca 0.09 -0.04 -0.02 0.00 0.43 0.00 0.00 57.03 57.49 1yau h ASP 149 Cb 0.22 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 38.75 1yau h ASP 149 CO -0.20 0.70 0.03 -0.33 -1.57 0.00 0.00 179.24 177.86 1yau h GLU 150 N 1.06 0.25 -0.68 3.56 5.08 -1.88 -2.18 114.58 119.79 1yau h GLU 150 Ca 0.28 -0.06 0.14 0.00 -1.00 0.00 0.00 59.36 58.72 1yau h GLU 150 Cb -0.06 -0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.05 1yau h GLU 150 CO -0.05 0.42 0.08 0.78 -1.00 0.00 0.00 179.01 179.23 1yau h GLY 151 N 0.04 0.82 0.94 -3.84 0.00 -0.48 -0.06 103.07 100.49 1yau h GLY 151 Ca 0.05 0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 1yau h GLY 151 CO 0.00 -0.21 0.15 -2.08 0.00 0.00 0.00 176.54 174.40 1yau h VAL 152 N 0.18 1.21 -0.68 4.60 2.07 -0.55 -2.36 116.25 120.71 1yau h VAL 152 Ca 0.37 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1yau h VAL 152 Cb 0.62 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1yau h VAL 152 CO -0.53 0.24 0.38 0.44 0.02 0.00 0.00 177.57 178.12 1yau h ASP 153 N 0.51 0.83 -0.01 0.57 3.32 -0.86 -2.29 116.42 118.50 1yau h ASP 153 Ca 0.13 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1yau h ASP 153 Cb 0.22 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1yau h ASP 153 CO -0.01 0.67 0.01 0.25 -1.72 0.00 0.00 179.24 178.44 1yau h LEU 154 N 0.95 0.02 -1.03 1.55 5.85 -0.69 -0.83 115.31 121.12 1yau h LEU 154 Ca 0.24 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 1yau h LEU 154 Cb 0.01 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1yau h LEU 154 CO -0.04 0.14 -0.20 -0.37 -0.34 0.00 0.00 178.44 177.63 1yau h VAL 155 N -0.10 1.25 -0.66 1.05 -1.51 -1.33 0.31 116.25 115.25 1yau h VAL 155 Ca 0.00 -1.14 -0.06 0.00 -1.23 0.00 0.00 66.70 64.27 1yau h VAL 155 Cb 0.13 1.27 -0.03 0.00 -2.13 0.00 0.00 31.29 30.53 1yau h VAL 155 CO -0.00 0.37 0.18 0.40 -1.23 0.00 0.00 177.57 177.29 1yau h ILE 156 N 0.42 1.26 -0.39 7.19 2.04 -1.22 -0.88 117.51 125.92 1yau h ILE 156 Ca 0.07 -0.91 -0.04 0.00 1.00 0.00 0.00 64.86 64.99 1yau h ILE 156 Cb 0.58 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1yau h ILE 156 CO 0.04 0.35 0.11 0.03 0.00 0.00 0.00 178.15 178.68 1yau h ARG 157 N 0.97 0.62 -0.40 2.37 3.08 -0.40 -0.75 114.38 119.87 1yau h ARG 157 Ca 0.21 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1yau h ARG 157 Cb 0.33 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 1yau h ARG 157 CO -0.00 0.64 0.15 0.00 -1.07 0.00 0.00 179.97 179.69 1yau h ALA 158 N 0.96 0.52 -0.03 0.04 0.00 -0.75 -1.21 119.26 118.79 1yau h ALA 158 Ca 0.13 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 1yau h ALA 158 Cb 0.29 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1yau h ALA 158 CO -0.00 0.14 -0.79 0.82 0.00 0.00 0.00 179.25 179.42 1yau h ILE 159 N 0.51 1.43 -0.47 0.00 2.04 -1.17 -1.11 117.51 118.74 1yau h ILE 159 Ca 0.13 -2.34 -0.04 0.00 1.00 0.00 0.00 64.86 63.62 1yau h ILE 159 Cb 0.20 2.27 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 1yau h ILE 159 CO -0.01 0.69 0.15 0.28 0.00 0.00 0.00 178.15 179.26 1yau h SER 160 N 0.18 0.69 -0.22 1.72 0.02 -1.03 0.23 113.55 115.14 1yau h SER 160 Ca -0.04 -0.21 0.03 0.00 -0.84 0.00 0.00 61.79 60.74 1yau h SER 160 Cb 1.38 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.71 1yau h SER 160 CO 0.13 0.72 0.04 0.00 -1.14 0.00 0.00 176.83 176.57 1yau h ALA 161 N 1.00 0.22 -0.41 3.77 0.00 -1.13 -2.08 119.26 120.64 1yau h ALA 161 Ca 0.15 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.16 1yau h ALA 161 Cb 0.27 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 1yau h ALA 161 CO -0.00 -0.39 0.13 0.00 0.00 0.00 0.00 179.25 178.99 1yau h ALA 162 N 1.16 0.48 -0.76 0.00 0.00 -0.87 -2.47 119.26 116.79 1yau h ALA 162 Ca 0.10 0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.17 1yau h ALA 162 Cb 0.10 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 1yau h ALA 162 CO -0.14 -0.26 0.50 0.87 0.00 0.00 0.00 179.25 180.22 1yau h LYS 163 N 0.29 0.60 -0.02 0.00 1.57 -0.26 0.19 116.57 118.94 1yau h LYS 163 Ca 0.19 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1yau h LYS 163 Cb 0.18 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1yau h LYS 163 CO -0.20 0.40 -0.22 1.96 -0.57 0.00 0.00 179.45 180.82 1yau h GLN 164 N 0.62 0.03 -0.00 3.15 1.08 -0.90 -3.34 115.11 115.75 1yau h GLN 164 Ca 0.36 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.55 1yau h GLN 164 Cb 0.54 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.97 1yau h GLN 164 CO -0.13 0.25 -0.00 0.54 -0.95 0.00 0.00 178.83 178.54 1yau n ARG 165 N -4.26 4.14 -4.06 1.46 5.12 -0.77 -4.91 116.66 113.37 1yau n ARG 165 Ca -0.02 -0.18 -0.32 0.00 -1.93 0.00 0.00 57.85 55.40 1yau n ARG 165 Cb 0.29 -0.68 -0.15 0.00 -1.16 0.00 0.00 32.46 30.75 1yau n ARG 165 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1yau s ASP 166 N -0.65 4.05 0.09 0.55 2.15 0.58 -4.97 116.67 118.47 1yau s ASP 166 Ca 0.00 -1.20 0.19 0.00 0.43 0.00 0.00 52.55 51.98 1yau s ASP 166 Cb 0.00 -1.47 0.80 0.00 -0.30 0.00 0.00 42.92 41.95 1yau s ASP 166 CO 0.00 -0.16 1.61 -1.54 -0.17 0.00 0.00 175.17 174.91 1yau n SER 167 N 4.51 0.24 -0.96 -0.34 3.41 -1.26 -1.96 113.62 117.26 1yau n SER 167 Ca -0.15 0.55 0.07 0.00 -0.26 0.00 0.00 58.87 59.08 1yau n SER 167 Cb 0.44 -0.60 0.22 0.00 -0.26 0.00 0.00 64.21 64.00 1yau n SER 167 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yau n ALA 168 N -1.59 2.60 -2.45 7.33 0.00 -1.26 -4.84 120.51 120.30 1yau n ALA 168 Ca 0.04 -0.89 -0.26 0.00 0.00 0.00 0.00 53.44 52.32 1yau n ALA 168 Cb 0.22 -0.98 -0.15 0.00 0.00 0.00 0.00 19.45 18.53 1yau n ALA 168 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1yau s SER 169 N -0.91 2.31 0.00 0.00 0.01 -0.83 -1.85 113.70 112.44 1yau s SER 169 Ca 0.32 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.21 1yau s SER 169 Cb 0.18 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.16 1yau s SER 169 CO 0.19 0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.69 1yau n GLY 170 N 2.55 -1.44 0.46 3.44 0.00 -1.26 -4.72 105.19 104.23 1yau n GLY 170 Ca -0.15 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1yau n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yau n GLY 171 N -0.18 -3.10 3.75 -0.02 0.00 -1.26 -0.61 105.19 103.77 1yau n GLY 171 Ca 0.00 -1.80 -0.36 0.00 0.00 0.00 0.00 46.02 43.87 1yau n GLY 171 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1yau s MET 172 N -0.88 2.80 -0.12 1.61 -2.45 -1.26 -4.61 119.30 114.40 1yau s MET 172 Ca 0.00 1.82 -0.17 0.00 -1.25 0.00 0.00 55.69 56.09 1yau s MET 172 Cb 0.00 -1.91 -0.04 0.00 1.25 0.00 0.00 34.83 34.13 1yau s MET 172 CO 0.00 -1.34 0.44 0.42 1.05 0.00 0.00 175.02 175.59 1yau s ILE 173 N -1.66 5.20 -0.20 10.11 1.01 -1.26 -3.76 121.20 130.62 1yau s ILE 173 Ca 0.77 0.87 -0.07 0.00 0.00 0.00 0.00 60.65 62.22 1yau s ILE 173 Cb -0.30 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 1yau s ILE 173 CO 0.36 0.35 0.06 -1.81 0.00 0.00 0.00 174.94 173.90 1yau s ASP 174 N 0.50 5.44 -0.02 3.58 1.11 -0.53 -4.98 116.67 121.77 1yau s ASP 174 Ca 0.24 -0.02 0.04 0.00 0.18 0.00 0.00 52.55 52.99 1yau s ASP 174 Cb -0.15 -1.95 -0.01 0.00 1.07 0.00 0.00 42.92 41.89 1yau s ASP 174 CO 0.09 0.10 -0.15 -0.69 1.18 0.00 0.00 175.17 175.70 1yau s VAL 175 N 0.81 1.23 0.03 -1.27 1.01 -1.26 -1.61 120.40 119.33 1yau s VAL 175 Ca 0.03 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.44 1yau s VAL 175 Cb -0.14 -1.04 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 1yau s VAL 175 CO 0.02 0.35 -0.19 0.00 0.00 0.00 0.00 175.10 175.29 1yau s ALA 176 N -0.20 1.59 -0.07 5.51 0.00 -0.26 -0.58 121.76 127.76 1yau s ALA 176 Ca 0.03 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.08 1yau s ALA 176 Cb -0.08 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 1yau s ALA 176 CO 0.00 0.36 -0.19 0.08 0.00 0.00 0.00 175.76 176.01 1yau s VAL 177 N -0.71 2.62 -0.15 0.00 1.01 -0.15 -1.58 120.40 121.43 1yau s VAL 177 Ca 0.06 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.19 1yau s VAL 177 Cb -0.08 -2.01 0.02 0.00 0.00 0.00 0.00 36.38 34.31 1yau s VAL 177 CO 0.01 0.57 -0.15 -0.63 0.00 0.00 0.00 175.10 174.90 1yau s ILE 178 N -0.27 1.65 0.17 2.22 1.01 -0.08 -0.26 121.20 125.64 1yau s ILE 178 Ca 0.01 -0.68 0.03 0.00 0.00 0.00 0.00 60.65 60.01 1yau s ILE 178 Cb -0.13 -1.53 -0.05 0.00 0.01 0.00 0.00 42.46 40.76 1yau s ILE 178 CO 0.03 0.47 -0.05 0.42 0.00 0.00 0.00 174.94 175.81 1yau s THR 179 N 1.42 0.98 0.17 2.92 -4.23 -0.28 -1.89 115.64 114.74 1yau s THR 179 Ca 0.04 -2.02 -0.07 0.00 -1.18 0.00 0.00 61.69 58.46 1yau s THR 179 Cb -0.13 -2.01 -0.03 0.00 1.34 0.00 0.00 72.50 71.67 1yau s THR 179 CO -0.10 -0.60 1.52 -0.09 -0.54 0.00 0.00 174.62 174.81 1yau h ARG 180 N 2.71 0.79 0.01 3.99 9.65 -1.85 0.16 114.38 129.82 1yau h ARG 180 Ca -0.37 -0.41 -0.00 0.00 -1.10 0.00 0.00 59.98 58.10 1yau h ARG 180 Cb 1.20 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 1yau h ARG 180 CO 0.64 1.04 -0.00 -0.22 2.80 0.00 0.00 179.97 184.22 1yau h LYS 181 N 0.64 -0.01 -0.10 0.20 3.64 -1.96 -3.33 116.57 115.66 1yau h LYS 181 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1yau h LYS 181 Cb 0.96 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1yau h LYS 181 CO 0.09 0.30 0.00 -0.25 -2.27 0.00 0.00 179.45 177.32 1yau n ASP 182 N -4.95 2.44 0.00 4.20 8.00 -1.24 -5.09 116.55 119.90 1yau n ASP 182 Ca -0.08 -1.70 0.00 0.00 0.71 0.00 0.00 54.79 53.72 1yau n ASP 182 Cb 0.17 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 1yau n ASP 182 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yau n GLY 183 N 0.86 0.34 3.62 0.44 0.00 0.55 -4.65 105.19 106.35 1yau n GLY 183 Ca 0.10 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.87 1yau n GLY 183 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1yau s TYR 184 N 0.00 3.28 -0.20 1.61 6.14 -1.19 -1.12 117.35 125.86 1yau s TYR 184 Ca 0.00 0.70 0.00 0.00 0.64 0.00 0.00 57.07 58.41 1yau s TYR 184 Cb 0.00 -2.75 0.05 0.00 0.42 0.00 0.00 41.96 39.67 1yau s TYR 184 CO 0.00 -0.29 -0.06 0.08 0.64 0.00 0.00 175.55 175.92 1yau s VAL 185 N 2.34 1.34 0.03 3.14 1.01 0.64 -4.99 120.40 123.91 1yau s VAL 185 Ca 0.23 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 61.01 1yau s VAL 185 Cb -0.16 -1.53 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 1yau s VAL 185 CO 0.09 0.06 1.16 -1.58 0.00 0.00 0.00 175.10 174.83 1yau s GLN 186 N 1.52 4.44 0.34 2.72 0.74 -1.26 -0.98 119.66 127.17 1yau s GLN 186 Ca -0.02 1.69 -0.27 0.00 0.05 0.00 0.00 55.36 56.82 1yau s GLN 186 Cb -0.17 -3.41 -0.09 0.00 1.10 0.00 0.00 33.01 30.44 1yau s GLN 186 CO -0.07 -0.26 1.09 -0.51 -0.55 0.00 0.00 175.29 174.98 1yau s LEU 187 N 1.28 4.34 0.50 3.68 1.43 0.26 -4.97 118.68 125.19 1yau s LEU 187 Ca 0.57 2.19 -0.20 0.00 -1.03 0.00 0.00 54.13 55.66 1yau s LEU 187 Cb -0.27 -3.91 -0.08 0.00 0.03 0.00 0.00 46.19 41.96 1yau s LEU 187 CO 0.28 -0.36 1.06 -2.84 0.23 0.00 0.00 176.35 174.71 1yau s PRO 188 N -1.99 3.71 0.18 1.29 0.02 -1.26 -4.71 135.00 132.24 1yau s PRO 188 Ca 0.52 1.42 -0.13 0.00 0.02 0.00 0.00 61.00 62.82 1yau s PRO 188 Cb -0.28 -2.08 0.14 0.00 0.02 0.00 0.00 34.50 32.30 1yau s PRO 188 CO 0.35 -0.52 1.78 1.15 -0.33 0.00 0.00 177.00 179.43 1yau h THR 189 N 1.49 0.94 -0.49 0.99 2.02 -1.94 -1.92 112.91 114.00 1yau h THR 189 Ca -0.50 -0.17 0.08 0.00 0.77 0.00 0.00 66.41 66.60 1yau h THR 189 Cb 1.23 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 68.03 1yau h THR 189 CO 0.59 0.09 0.33 -2.24 0.37 0.00 0.00 175.52 174.65 1yau h ASP 190 N 0.48 0.30 0.52 4.18 3.04 -1.98 0.40 116.42 123.36 1yau h ASP 190 Ca 0.22 0.00 -0.23 0.00 -3.24 0.00 0.00 57.03 53.79 1yau h ASP 190 Cb 0.14 -0.06 -0.00 0.00 -1.04 0.00 0.00 39.33 38.37 1yau h ASP 190 CO -0.16 0.19 -0.99 -0.61 -2.04 0.00 0.00 179.24 175.62 1yau h GLN 191 N 0.33 0.29 0.09 4.15 4.15 -1.75 -0.51 115.11 121.86 1yau h GLN 191 Ca 0.22 -0.35 -0.00 0.00 0.77 0.00 0.00 58.65 59.28 1yau h GLN 191 Cb 0.44 0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.24 1yau h GLN 191 CO -0.05 1.08 -0.04 0.82 -1.93 0.00 0.00 178.83 178.70 1yau h ILE 192 N 0.14 1.11 -0.75 2.39 1.08 -0.71 -2.87 117.51 117.90 1yau h ILE 192 Ca -0.08 -0.81 0.14 0.00 -0.39 0.00 0.00 64.86 63.72 1yau h ILE 192 Cb 1.66 1.63 -0.09 0.00 -3.07 0.00 0.00 36.82 36.94 1yau h ILE 192 CO 0.16 0.20 0.30 -0.33 -0.69 0.00 0.00 178.15 177.79 1yau h GLU 193 N -0.50 0.44 -0.34 2.37 5.08 -0.29 -0.89 114.58 120.44 1yau h GLU 193 Ca -0.01 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1yau h GLU 193 Cb 0.42 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1yau h GLU 193 CO 0.02 0.29 0.19 1.03 -1.00 0.00 0.00 179.01 179.54 1yau h SER 194 N 0.45 0.43 -0.77 1.42 0.87 -1.14 -2.49 113.55 112.32 1yau h SER 194 Ca 0.41 -0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.84 1yau h SER 194 Cb 0.62 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.44 1yau h SER 194 CO -0.40 0.39 0.31 0.03 -0.53 0.00 0.00 176.83 176.63 1yau h ARG 195 N 0.43 1.15 -0.93 2.24 3.08 -1.16 -2.15 114.38 117.04 1yau h ARG 195 Ca 0.12 -0.21 0.13 0.00 0.07 0.00 0.00 59.98 60.10 1yau h ARG 195 Cb 0.06 -0.19 -0.09 0.00 0.08 0.00 0.00 29.97 29.83 1yau h ARG 195 CO -0.02 0.93 0.55 0.82 -1.07 0.00 0.00 179.97 181.18 1yau h ILE 196 N 1.13 0.83 0.34 2.04 2.04 -0.91 0.25 117.51 123.23 1yau h ILE 196 Ca 0.26 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 1yau h ILE 196 Cb 0.21 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.23 1yau h ILE 196 CO -0.02 0.15 -0.16 0.03 0.00 0.00 0.00 178.15 178.14 1yau h ARG 197 N 0.82 -0.44 0.00 2.37 3.08 -1.16 0.17 114.38 119.22 1yau h ARG 197 Ca 0.48 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.56 1yau h ARG 197 Cb 0.58 0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.73 1yau h ARG 197 CO -0.31 -0.13 -0.04 1.57 -1.07 0.00 0.00 179.97 180.00 1yau h LYS 198 N -0.82 0.00 0.00 0.04 2.10 -1.07 -1.41 116.57 115.41 1yau h LYS 198 Ca -0.05 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.39 1yau h LYS 198 Cb 0.52 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.82 1yau h LYS 198 CO 0.08 0.04 -1.21 -0.07 -2.00 0.00 0.00 179.45 176.28 1yau h LEU 199 N 0.00 0.00 0.00 7.07 3.38 -0.98 -3.49 115.31 121.29 1yau h LEU 199 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1yau h LEU 199 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1yau h LEU 199 CO 0.01 0.86 0.00 0.61 0.09 0.00 0.00 178.44 180.00 1yau n GLY 200 N 1.40 1.50 0.00 0.83 0.00 -0.53 -5.09 105.19 103.31 1yau n GLY 200 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1yau n GLY 200 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yau n LEU 201 N 0.00 0.00 0.00 0.99 4.77 0.51 -5.02 117.00 118.25 1yau n LEU 201 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1yau n LEU 201 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1yau n LEU 201 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.39 178.36 1yau n ILE 202 N 0.00 0.00 0.00 -0.08 -6.64 -1.26 -4.85 119.36 106.53 1yau n ILE 202 Ca 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.98 1yau n ILE 202 Cb 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.20 1yau n ILE 202 CO 0.00 0.00 0.00 0.18 -1.77 0.00 0.00 176.55 174.96