#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yao s VAL 2 N 0.00 4.93 0.59 3.15 1.01 -1.26 -1.13 120.40 127.69 1yao s VAL 2 Ca 0.00 -1.18 -0.18 0.00 0.00 0.00 0.00 61.98 60.62 1yao s VAL 2 Cb 0.00 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 1yao s VAL 2 CO 0.00 -0.57 1.13 -0.36 0.00 0.00 0.00 175.10 175.30 1yao s PHE 3 N 1.57 2.61 0.33 5.22 0.40 -0.29 -5.00 117.98 122.83 1yao s PHE 3 Ca 0.04 1.55 -0.11 0.00 -0.60 0.00 0.00 56.93 57.80 1yao s PHE 3 Cb -0.24 -3.27 -0.07 0.00 0.51 0.00 0.00 43.02 39.95 1yao s PHE 3 CO 0.05 -1.70 0.69 -1.21 0.70 0.00 0.00 175.22 173.76 1yao s GLU 4 N -3.58 3.83 0.08 0.44 2.02 -1.26 -4.87 118.70 115.35 1yao s GLU 4 Ca 0.71 0.43 -0.22 0.00 0.02 0.00 0.00 54.97 55.91 1yao s GLU 4 Cb -0.23 -2.48 -0.08 0.00 0.10 0.00 0.00 34.13 31.43 1yao s GLU 4 CO 0.33 0.12 1.36 -0.09 0.02 0.00 0.00 175.26 176.99 1yao h ARG 5 N 1.83 -0.32 0.00 1.61 2.43 -1.96 -1.81 114.38 116.16 1yao h ARG 5 Ca -0.47 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 58.67 1yao h ARG 5 Cb 1.18 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 1yao h ARG 5 CO 0.66 -0.21 -0.22 0.00 -1.51 0.00 0.00 179.97 178.68 1yao h GLU 7 N 0.00 0.35 -0.49 0.00 4.81 -1.87 -1.13 114.58 116.25 1yao h GLU 7 Ca -0.00 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 1yao h GLU 7 Cb 0.49 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1yao h GLU 7 CO 0.03 0.40 0.10 1.25 -0.73 0.00 0.00 179.01 180.06 1yao h LEU 8 N 0.22 0.76 -0.28 1.64 5.85 -1.01 -1.77 115.31 120.71 1yao h LEU 8 Ca 0.08 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.59 1yao h LEU 8 Cb 0.19 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 1yao h LEU 8 CO -0.01 0.81 0.07 0.00 -0.34 0.00 0.00 178.44 178.97 1yao h ALA 9 N 0.98 0.30 -0.40 1.25 0.00 -1.08 0.11 119.26 120.41 1yao h ALA 9 Ca 0.15 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1yao h ALA 9 Cb 0.36 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1yao h ALA 9 CO 0.01 -0.34 -0.07 0.00 0.00 0.00 0.00 179.25 178.84 1yao h ARG 10 N 0.18 0.69 -0.23 0.00 3.08 -1.12 -2.21 114.38 114.76 1yao h ARG 10 Ca 0.13 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1yao h ARG 10 Cb 0.13 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1yao h ARG 10 CO -0.16 0.75 0.07 1.15 -1.07 0.00 0.00 179.97 180.71 1yao h THR 11 N 0.63 1.20 -0.87 2.04 2.02 -0.59 -2.19 112.91 115.15 1yao h THR 11 Ca 0.12 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.67 1yao h THR 11 Cb 0.50 1.17 -0.04 0.00 -1.74 0.00 0.00 68.15 68.04 1yao h THR 11 CO 0.03 0.20 0.53 -0.07 0.37 0.00 0.00 175.52 176.57 1yao h LEU 12 N 0.21 1.03 -0.42 2.58 3.38 -0.64 -1.91 115.31 119.54 1yao h LEU 12 Ca 0.07 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1yao h LEU 12 Cb 0.24 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1yao h LEU 12 CO -0.00 0.79 0.20 0.50 0.09 0.00 0.00 178.44 180.01 1yao h LYS 13 N 1.19 0.60 0.00 1.13 3.64 -1.19 -2.04 116.57 119.90 1yao h LYS 13 Ca 0.31 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.58 1yao h LYS 13 Cb -0.06 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1yao h LYS 13 CO -0.06 0.52 -0.10 -0.09 -2.27 0.00 0.00 179.45 177.45 1yao h ARG 14 N 0.53 0.00 -0.15 1.90 2.43 -0.98 -1.32 114.38 116.79 1yao h ARG 14 Ca 0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1yao h ARG 14 Cb 0.12 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1yao h ARG 14 CO -0.02 0.10 0.00 1.28 -1.51 0.00 0.00 179.97 179.82 1yao n LEU 15 N -4.38 1.08 -0.79 3.80 4.77 -0.76 -4.93 117.00 115.80 1yao n LEU 15 Ca -0.03 -0.49 -0.06 0.00 -0.03 0.00 0.00 56.01 55.40 1yao n LEU 15 Cb 0.18 -0.10 -0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1yao n LEU 15 CO 0.35 0.25 -0.07 0.61 -1.33 0.00 0.00 177.39 177.20 1yao n GLY 16 N 0.93 0.13 0.15 -0.72 0.00 -0.50 -4.96 105.19 100.23 1yao n GLY 16 Ca 0.12 -0.60 0.12 0.00 0.00 0.00 0.00 46.02 45.65 1yao n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1yao h MET 17 N -0.06 0.00 -6.14 1.61 2.86 -1.63 -3.40 114.93 108.16 1yao h MET 17 Ca -0.15 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 56.94 1yao h MET 17 Cb 1.11 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.75 1yao h MET 17 CO 0.18 0.00 1.32 0.34 1.06 0.00 0.00 176.91 179.81 1yao s ASP 18 N -5.55 5.62 0.00 1.22 2.15 -1.26 -2.01 116.67 116.84 1yao s ASP 18 Ca 0.03 0.99 0.00 0.00 0.43 0.00 0.00 52.55 54.00 1yao s ASP 18 Cb 0.08 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 1yao s ASP 18 CO 0.74 -1.98 0.00 0.61 -0.17 0.00 0.00 175.17 174.37 1yao n GLY 19 N 5.54 0.73 3.67 2.66 0.00 0.57 -4.89 105.19 113.46 1yao n GLY 19 Ca 0.23 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.81 1yao n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1yao n TYR 20 N -2.41 2.48 -3.65 1.61 9.36 -0.85 -1.10 117.16 122.59 1yao n TYR 20 Ca 0.00 -0.28 -0.28 0.00 3.32 0.00 0.00 57.90 60.67 1yao n TYR 20 Cb 0.00 -2.77 0.01 0.00 -0.63 0.00 0.00 39.34 35.96 1yao n TYR 20 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1yao n ARG 21 N 7.20 -4.63 -0.99 2.98 5.12 -1.26 -1.15 116.66 123.93 1yao n ARG 21 Ca 0.21 0.58 0.00 0.00 -1.93 0.00 0.00 57.85 56.71 1yao n ARG 21 Cb 0.38 -5.41 0.00 0.00 -1.16 0.00 0.00 32.46 26.27 1yao n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1yao n GLY 22 N -1.49 0.67 3.55 -0.13 0.00 -0.26 -5.00 105.19 102.53 1yao n GLY 22 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1yao n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yao s ILE 23 N -2.75 5.16 0.61 -0.61 1.01 -0.30 -4.90 121.20 119.43 1yao s ILE 23 Ca 0.00 0.07 -0.18 0.00 0.00 0.00 0.00 60.65 60.54 1yao s ILE 23 Cb 0.00 -3.82 -0.03 0.00 0.01 0.00 0.00 42.46 38.62 1yao s ILE 23 CO 0.00 -0.09 1.16 -0.94 0.00 0.00 0.00 174.94 175.07 1yao s SER 24 N 1.73 5.21 0.27 3.58 1.04 -1.26 -0.32 113.70 123.95 1yao s SER 24 Ca 0.12 2.23 -0.00 0.00 0.48 0.00 0.00 55.95 58.77 1yao s SER 24 Cb -0.16 -2.58 0.52 0.00 0.10 0.00 0.00 66.02 63.89 1yao s SER 24 CO 0.12 -1.57 1.81 0.25 0.98 0.00 0.00 173.24 174.83 1yao h LEU 25 N 0.63 0.76 -1.86 2.42 5.85 -1.90 -0.68 115.31 120.53 1yao h LEU 25 Ca -0.49 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 1yao h LEU 25 Cb 1.27 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 1yao h LEU 25 CO 0.55 0.38 0.05 0.00 -0.34 0.00 0.00 178.44 179.08 1yao h ALA 26 N 1.53 1.89 -0.26 1.25 0.00 -1.92 -0.63 119.26 121.13 1yao h ALA 26 Ca 0.47 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.19 1yao h ALA 26 Cb 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1yao h ALA 26 CO -0.29 0.09 -0.47 -0.91 0.00 0.00 0.00 179.25 177.67 1yao h ASN 27 N 0.14 0.86 -0.67 0.00 2.35 -1.45 -0.33 115.58 116.48 1yao h ASN 27 Ca 0.04 -0.53 -0.06 0.00 -0.55 0.00 0.00 56.30 55.20 1yao h ASN 27 Cb 0.02 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.11 1yao h ASN 27 CO -0.01 1.23 0.21 -0.50 -1.65 0.00 0.00 177.43 176.72 1yao h TRP 28 N 0.52 1.10 -0.30 1.19 4.06 -1.08 -0.72 115.95 120.72 1yao h TRP 28 Ca 0.01 -0.10 -0.05 0.00 2.06 0.00 0.00 58.89 60.81 1yao h TRP 28 Cb 1.08 -0.32 -0.01 0.00 -1.00 0.00 0.00 29.16 28.90 1yao h TRP 28 CO 0.08 0.87 -0.01 0.52 -3.56 0.00 0.00 178.44 176.34 1yao h MET 29 N 1.03 0.54 -0.84 0.49 2.86 -1.04 -0.84 114.93 117.13 1yao h MET 29 Ca 0.22 -0.18 0.04 0.00 -2.06 0.00 0.00 59.70 57.73 1yao h MET 29 Cb 0.29 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.85 1yao h MET 29 CO -0.01 0.69 0.53 0.00 1.06 0.00 0.00 176.91 179.18 1yao h LEU 31 N 1.02 -0.03 -1.08 0.00 5.85 -0.89 -2.27 115.31 117.92 1yao h LEU 31 Ca 0.34 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 1yao h LEU 31 Cb 0.06 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 1yao h LEU 31 CO -0.13 0.14 0.54 0.00 -0.34 0.00 0.00 178.44 178.65 1yao h ALA 32 N 0.77 1.31 0.22 1.25 0.00 -0.86 0.47 119.26 122.43 1yao h ALA 32 Ca -0.00 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1yao h ALA 32 Cb 0.19 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1yao h ALA 32 CO 0.01 0.60 -0.12 -0.22 0.00 0.00 0.00 179.25 179.52 1yao h LYS 33 N 1.20 -0.30 0.00 0.00 1.63 -0.98 -1.43 116.57 116.68 1yao h LYS 33 Ca 0.32 0.02 -0.15 0.00 -0.85 0.00 0.00 60.65 59.99 1yao h LYS 33 Cb -0.08 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.60 1yao h LYS 33 CO -0.06 -0.20 -0.69 -1.49 -3.45 0.00 0.00 179.45 173.55 1yao h TRP 34 N -0.31 0.00 -0.01 1.91 4.06 -1.23 -0.48 115.95 119.90 1yao h TRP 34 Ca -0.03 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 60.82 1yao h TRP 34 Cb 0.25 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.42 1yao h TRP 34 CO -0.07 0.69 -0.38 0.93 -3.56 0.00 0.00 178.44 176.05 1yao h GLU 35 N 0.00 0.27 0.00 0.49 4.39 -0.87 -3.42 114.58 115.43 1yao h GLU 35 Ca -0.01 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.41 1yao h GLU 35 Cb 1.38 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.10 1yao h GLU 35 CO 0.09 0.98 0.00 -1.13 -1.16 0.00 0.00 179.01 177.79 1yao n SER 36 N -4.40 0.09 -0.71 1.42 3.41 -0.59 -4.87 113.62 107.98 1yao n SER 36 Ca -0.10 -0.37 -0.07 0.00 -0.26 0.00 0.00 58.87 58.07 1yao n SER 36 Cb 0.56 0.29 -0.01 0.00 -0.26 0.00 0.00 64.21 64.80 1yao n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1yao n GLY 37 N 0.29 0.29 2.25 5.00 0.00 -0.19 -2.99 105.19 109.84 1yao n GLY 37 Ca 0.00 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 1yao n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1yao n TYR 38 N -3.71 -0.37 -3.67 1.61 4.01 -1.15 -4.79 117.16 109.08 1yao n TYR 38 Ca -0.08 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.29 1yao n TYR 38 Cb 0.48 -2.46 -0.12 0.00 -0.31 0.00 0.00 39.34 36.93 1yao n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1yao s ASN 39 N -2.61 5.51 0.50 7.72 2.47 -1.16 -1.14 114.94 126.23 1yao s ASN 39 Ca 0.00 -0.27 0.29 0.00 0.42 0.00 0.00 52.86 53.30 1yao s ASN 39 Cb 0.00 -2.00 0.95 0.00 -1.45 0.00 0.00 41.25 38.75 1yao s ASN 39 CO 0.00 -0.10 1.83 0.71 -3.72 0.00 0.00 177.10 175.82 1yao h THR 40 N 5.54 0.08 -0.51 -5.21 1.35 -1.45 -3.12 112.91 109.59 1yao h THR 40 Ca -0.35 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 64.73 1yao h THR 40 Cb 1.17 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.31 1yao h THR 40 CO 0.58 0.04 0.00 -2.11 -0.25 0.00 0.00 175.52 173.78 1yao n ARG 41 N -3.13 2.43 -1.90 4.72 1.85 -1.26 -4.05 116.66 115.31 1yao n ARG 41 Ca 0.02 -2.19 -0.42 0.00 -1.00 0.00 0.00 57.85 54.26 1yao n ARG 41 Cb 0.40 -1.50 -0.02 0.00 -1.05 0.00 0.00 32.46 30.30 1yao n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1yao s ALA 42 N -1.33 3.70 0.02 2.89 0.00 -1.18 -4.80 121.76 121.06 1yao s ALA 42 Ca 0.41 1.43 0.01 0.00 0.00 0.00 0.00 51.96 53.81 1yao s ALA 42 Cb 0.22 -3.60 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 1yao s ALA 42 CO 0.30 -0.84 -0.04 0.95 0.00 0.00 0.00 175.76 176.13 1yao s THR 43 N 0.17 0.20 -0.16 0.00 -4.23 -1.26 -0.42 115.64 109.95 1yao s THR 43 Ca 0.63 -0.68 -0.04 0.00 -1.18 0.00 0.00 61.69 60.41 1yao s THR 43 Cb -0.45 -0.29 0.08 0.00 1.34 0.00 0.00 72.50 73.18 1yao s THR 43 CO 0.43 -0.31 0.24 0.20 -0.54 0.00 0.00 174.62 174.64 1yao s ASN 44 N -1.04 0.77 -0.03 3.99 -0.87 -0.62 -4.97 114.94 112.17 1yao s ASN 44 Ca -0.10 0.24 -0.25 0.00 -1.57 0.00 0.00 52.86 51.18 1yao s ASN 44 Cb -0.07 0.56 -0.04 0.00 -0.02 0.00 0.00 41.25 41.68 1yao s ASN 44 CO -0.00 -0.28 0.78 -0.47 -2.57 0.00 0.00 177.10 174.56 1yao s TYR 45 N 2.38 3.62 -0.67 2.20 5.04 -1.26 -0.78 117.35 127.87 1yao s TYR 45 Ca 0.04 1.39 -0.11 0.00 -2.44 0.00 0.00 57.07 55.96 1yao s TYR 45 Cb -0.14 -2.88 0.17 0.00 0.35 0.00 0.00 41.96 39.47 1yao s TYR 45 CO -0.10 0.09 0.57 -0.80 -1.34 0.00 0.00 175.55 173.98 1yao s ASN 46 N 0.72 6.13 0.57 4.32 0.01 0.33 -4.91 114.94 122.10 1yao s ASN 46 Ca 0.41 -2.46 0.27 0.00 -0.71 0.00 0.00 52.86 50.37 1yao s ASN 46 Cb -0.19 -2.09 1.58 0.00 0.41 0.00 0.00 41.25 40.97 1yao s ASN 46 CO 0.21 -0.59 2.10 0.00 -1.51 0.00 0.00 177.10 177.32 1yao h ALA 47 N 7.88 1.91 -0.76 0.60 0.00 -1.95 -0.84 119.26 126.10 1yao h ALA 47 Ca -0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1yao h ALA 47 Cb 1.03 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1yao h ALA 47 CO 0.80 -0.30 0.40 0.78 0.00 0.00 0.00 179.25 180.93 1yao h GLY 48 N 0.00 1.13 0.00 0.00 0.00 -1.94 -3.30 103.07 98.97 1yao h GLY 48 Ca 0.10 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1yao h GLY 48 CO -0.00 0.50 0.00 2.09 0.00 0.00 0.00 176.54 179.13 1yao n ASP 49 N -4.34 1.21 -1.34 0.19 5.75 -1.08 -5.02 116.55 111.91 1yao n ASP 49 Ca 0.08 -1.48 -0.14 0.00 -0.01 0.00 0.00 54.79 53.24 1yao n ASP 49 Cb 0.11 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.17 1yao n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1yao n ARG 50 N -0.24 -1.03 -3.89 0.11 1.74 -0.34 -4.77 116.66 108.24 1yao n ARG 50 Ca 0.00 0.79 -0.22 0.00 -0.77 0.00 0.00 57.85 57.65 1yao n ARG 50 Cb 0.24 -4.97 -0.05 0.00 -1.02 0.00 0.00 32.46 26.66 1yao n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1yao s SER 51 N -2.58 5.04 0.01 0.55 1.04 -1.17 -4.45 113.70 112.14 1yao s SER 51 Ca 0.00 -0.63 0.03 0.00 0.48 0.00 0.00 55.95 55.83 1yao s SER 51 Cb 0.00 -0.84 -0.01 0.00 0.10 0.00 0.00 66.02 65.27 1yao s SER 51 CO 0.00 -0.37 -0.10 -0.89 0.98 0.00 0.00 173.24 172.87 1yao s THR 52 N -2.37 0.75 -0.17 2.02 2.01 -1.26 -0.52 115.64 116.10 1yao s THR 52 Ca 0.40 -0.63 -0.11 0.00 0.31 0.00 0.00 61.69 61.66 1yao s THR 52 Cb -0.04 -0.67 -0.05 0.00 0.01 0.00 0.00 72.50 71.75 1yao s THR 52 CO 0.25 0.05 0.19 -1.81 -0.69 0.00 0.00 174.62 172.61 1yao s ASP 53 N -0.66 6.33 -0.05 3.53 1.01 0.04 -1.15 116.67 125.73 1yao s ASP 53 Ca 0.01 0.39 0.06 0.00 0.71 0.00 0.00 52.55 53.71 1yao s ASP 53 Cb -0.05 -2.12 -0.01 0.00 1.01 0.00 0.00 42.92 41.74 1yao s ASP 53 CO 0.00 0.20 -0.23 -0.31 0.21 0.00 0.00 175.17 175.04 1yao s TYR 54 N 0.10 2.23 0.00 4.23 1.51 -0.20 -1.58 117.35 123.63 1yao s TYR 54 Ca 0.12 -0.62 0.00 0.00 -1.01 0.00 0.00 57.07 55.57 1yao s TYR 54 Cb -0.12 -1.46 0.00 0.00 -0.11 0.00 0.00 41.96 40.27 1yao s TYR 54 CO 0.01 -0.18 0.00 0.41 -1.11 0.00 0.00 175.55 174.69 1yao n GLY 55 N 2.91 -1.48 0.31 0.71 0.00 0.44 -1.69 105.19 106.39 1yao n GLY 55 Ca -0.17 -1.29 0.04 0.00 0.00 0.00 0.00 46.02 44.59 1yao n GLY 55 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1yao h VAL 56 N 0.00 1.11 -0.22 1.61 3.04 -1.69 -2.22 116.25 117.88 1yao h VAL 56 Ca 0.00 -0.23 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 1yao h VAL 56 Cb 0.00 0.50 0.00 0.00 -2.01 0.00 0.00 31.29 29.78 1yao h VAL 56 CO 0.00 0.11 0.00 0.49 -1.01 0.00 0.00 177.57 177.16 1yao n PHE 57 N -4.46 0.26 -3.69 3.17 3.72 -1.26 -3.96 117.46 111.24 1yao n PHE 57 Ca 0.03 -0.15 -0.31 0.00 -0.05 0.00 0.00 57.45 56.98 1yao n PHE 57 Cb 0.07 -0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.64 1yao n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1yao n GLN 58 N 1.28 -1.46 -2.68 -1.08 1.13 -0.84 -4.91 117.38 108.82 1yao n GLN 58 Ca 0.15 0.47 -0.42 0.00 -1.94 0.00 0.00 57.00 55.26 1yao n GLN 58 Cb 0.55 -4.21 -0.03 0.00 0.11 0.00 0.00 30.24 26.66 1yao n GLN 58 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1yao s ILE 59 N -3.50 4.77 0.15 5.09 1.01 -0.68 -4.44 121.20 123.61 1yao s ILE 59 Ca 0.44 2.00 -0.30 0.00 0.00 0.00 0.00 60.65 62.79 1yao s ILE 59 Cb -0.15 -4.29 -0.07 0.00 0.01 0.00 0.00 42.46 37.96 1yao s ILE 59 CO 0.86 0.10 1.01 0.21 0.00 0.00 0.00 174.94 177.13 1yao s ASN 60 N 1.06 7.42 0.39 3.58 3.84 -1.26 -1.03 114.94 128.94 1yao s ASN 60 Ca 0.51 1.93 0.28 0.00 0.21 0.00 0.00 52.86 55.80 1yao s ASN 60 Cb -0.21 -2.60 1.18 0.00 -0.55 0.00 0.00 41.25 39.08 1yao s ASN 60 CO 0.25 -0.10 1.84 0.77 -2.79 0.00 0.00 177.10 177.07 1yao h SER 61 N 5.23 0.00 0.12 -4.21 4.64 -1.38 -2.49 113.55 115.47 1yao h SER 61 Ca -0.44 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 60.83 1yao h SER 61 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 1yao h SER 61 CO 0.72 0.00 -0.19 -0.09 -0.87 0.00 0.00 176.83 176.40 1yao h ARG 62 N 0.00 0.14 0.00 4.77 2.43 -1.84 -3.39 114.38 116.49 1yao h ARG 62 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1yao h ARG 62 Cb 0.41 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1yao h ARG 62 CO 0.00 0.33 -0.67 0.66 -1.51 0.00 0.00 179.97 178.78 1yao n TYR 63 N -4.25 0.00 -0.03 2.20 4.01 -1.21 -0.14 117.16 117.73 1yao n TYR 63 Ca -0.01 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.52 1yao n TYR 63 Cb 0.29 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.19 1yao n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1yao n TRP 64 N -1.69 1.01 -4.25 -0.72 7.02 -0.94 -0.07 117.44 117.79 1yao n TRP 64 Ca 0.00 0.22 -0.14 0.00 -1.02 0.00 0.00 57.50 56.56 1yao n TRP 64 Cb 0.34 -1.13 -0.10 0.00 -2.42 0.00 0.00 31.31 28.00 1yao n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1yao s ASN 66 N -3.18 5.46 0.00 0.00 2.47 -0.39 -4.57 114.94 114.73 1yao s ASN 66 Ca 0.20 -0.05 0.01 0.00 0.42 0.00 0.00 52.86 53.45 1yao s ASN 66 Cb 0.04 -1.96 0.02 0.00 -1.45 0.00 0.00 41.25 37.90 1yao s ASN 66 CO 0.02 0.07 0.68 -0.90 -3.72 0.00 0.00 177.10 173.25 1yao n ASP 67 N 4.24 1.38 0.00 -4.21 5.68 -1.26 -1.33 116.55 121.06 1yao n ASP 67 Ca -0.16 -1.32 0.00 0.00 -0.50 0.00 0.00 54.79 52.81 1yao n ASP 67 Cb 0.52 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 1yao n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1yao n GLY 68 N -0.06 2.00 0.97 6.12 0.00 -1.26 -4.72 105.19 108.23 1yao n GLY 68 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 1yao n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1yao n LYS 69 N -0.64 2.25 -3.20 1.61 2.85 -1.26 -4.92 118.16 114.85 1yao n LYS 69 Ca 0.00 -1.96 -0.40 0.00 -1.05 0.00 0.00 58.31 54.90 1yao n LYS 69 Cb 0.00 -1.45 -0.07 0.00 -0.65 0.00 0.00 35.03 32.86 1yao n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1yao s THR 70 N -1.79 5.06 0.38 0.58 2.01 -1.26 -4.96 115.64 115.66 1yao s THR 70 Ca 0.29 0.98 -0.28 0.00 0.31 0.00 0.00 61.69 62.99 1yao s THR 70 Cb 0.20 -3.86 -0.11 0.00 0.01 0.00 0.00 72.50 68.74 1yao s THR 70 CO 0.29 0.10 1.48 -2.84 -0.69 0.00 0.00 174.62 172.97 1yao s PRO 71 N 2.11 4.06 -1.69 4.92 0.02 -1.26 -3.37 135.00 139.79 1yao s PRO 71 Ca 0.24 2.56 -0.12 0.00 0.02 0.00 0.00 61.00 63.70 1yao s PRO 71 Cb -0.16 -2.93 0.11 0.00 0.02 0.00 0.00 34.50 31.54 1yao s PRO 71 CO 0.09 -0.57 0.38 0.41 -0.33 0.00 0.00 177.00 176.98 1yao n GLY 72 N 0.47 -0.28 3.95 0.52 0.00 -1.26 -4.93 105.19 103.66 1yao n GLY 72 Ca 0.01 0.13 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 1yao n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yao s ALA 73 N -3.76 3.84 0.39 4.61 0.00 -1.22 -5.01 121.76 120.61 1yao s ALA 73 Ca 0.42 -1.03 0.07 0.00 0.00 0.00 0.00 51.96 51.42 1yao s ALA 73 Cb -0.24 -1.91 -0.08 0.00 0.00 0.00 0.00 23.12 20.89 1yao s ALA 73 CO 0.99 0.21 0.01 0.14 0.00 0.00 0.00 175.76 177.11 1yao s VAL 74 N -2.05 1.89 -0.50 0.00 -7.23 0.80 -4.99 120.40 108.30 1yao s VAL 74 Ca 0.37 -2.01 0.06 0.00 -1.81 0.00 0.00 61.98 58.60 1yao s VAL 74 Cb -0.10 -2.96 0.23 0.00 0.56 0.00 0.00 36.38 34.12 1yao s VAL 74 CO 0.31 -0.01 0.56 -3.20 -0.31 0.00 0.00 175.10 172.46 1yao n ASN 75 N -0.92 1.47 0.08 4.85 5.15 -1.21 -3.64 115.26 121.04 1yao n ASN 75 Ca -0.05 -2.93 0.04 0.00 -0.60 0.00 0.00 54.58 51.04 1yao n ASN 75 Cb 0.67 -0.65 0.44 0.00 -0.53 0.00 0.00 39.78 39.71 1yao n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1yao h ALA 76 N 4.44 1.68 0.00 5.20 0.00 -0.48 -1.36 119.26 128.73 1yao h ALA 76 Ca 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1yao h ALA 76 Cb 0.80 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1yao h ALA 76 CO 0.59 0.26 -0.06 0.00 0.00 0.00 0.00 179.25 180.04 1yao n HIS 78 N -1.70 -2.08 -3.94 0.00 -0.00 -0.51 -4.98 115.22 102.01 1yao n HIS 78 Ca 0.06 0.80 -0.10 0.00 -0.00 0.00 0.00 57.72 58.49 1yao n HIS 78 Cb 0.36 -4.32 -0.10 0.00 -0.00 0.00 0.00 29.99 25.93 1yao n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1yao s LEU 79 N -6.31 1.97 0.35 2.41 1.43 -1.26 -5.07 118.68 112.20 1yao s LEU 79 Ca 0.17 -0.44 -0.26 0.00 -1.03 0.00 0.00 54.13 52.57 1yao s LEU 79 Cb -0.04 0.36 -0.09 0.00 0.03 0.00 0.00 46.19 46.45 1yao s LEU 79 CO 0.79 -0.37 1.06 -0.55 0.23 0.00 0.00 176.35 177.52 1yao s SER 80 N -1.60 6.95 0.64 2.29 0.15 -1.26 -1.26 113.70 119.60 1yao s SER 80 Ca -0.13 2.12 0.39 0.00 0.70 0.00 0.00 55.95 59.03 1yao s SER 80 Cb -0.07 -2.60 2.19 0.00 -1.71 0.00 0.00 66.02 63.83 1yao s SER 80 CO -0.01 -0.36 2.32 0.00 1.20 0.00 0.00 173.24 176.39 1yao h SER 82 N 0.00 0.00 0.21 0.00 4.64 -1.90 -1.21 113.55 115.30 1yao h SER 82 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1yao h SER 82 Cb 0.02 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1yao h SER 82 CO 0.00 0.11 -0.05 0.00 -0.87 0.00 0.00 176.83 176.02 1yao h ALA 83 N 1.89 1.30 -0.18 5.18 0.00 -1.56 -0.91 119.26 124.98 1yao h ALA 83 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1yao h ALA 83 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1yao h ALA 83 CO 0.01 0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.61 1yao n LEU 84 N -3.58 1.14 -0.24 0.00 4.77 -0.46 -3.52 117.00 115.12 1yao n LEU 84 Ca -0.02 -0.54 0.03 0.00 -0.03 0.00 0.00 56.01 55.45 1yao n LEU 84 Cb 0.16 -0.12 0.07 0.00 -2.33 0.00 0.00 43.42 41.20 1yao n LEU 84 CO 0.27 0.27 0.55 0.18 -1.33 0.00 0.00 177.39 177.33 1yao n LEU 85 N 0.06 2.38 -4.88 2.23 4.77 -0.35 -3.31 117.00 117.91 1yao n LEU 85 Ca 0.10 -2.11 -0.30 0.00 -0.03 0.00 0.00 56.01 53.67 1yao n LEU 85 Cb 0.20 -0.12 0.03 0.00 -2.33 0.00 0.00 43.42 41.20 1yao n LEU 85 CO 0.08 0.59 0.73 -1.10 -1.33 0.00 0.00 177.39 176.36 1yao s GLN 86 N -1.19 3.23 0.20 3.23 -0.21 -1.23 -4.55 119.66 119.13 1yao s GLN 86 Ca 0.11 0.59 0.05 0.00 0.02 0.00 0.00 55.36 56.13 1yao s GLN 86 Cb 0.07 -2.06 0.10 0.00 1.00 0.00 0.00 33.01 32.12 1yao s GLN 86 CO 0.05 -0.79 1.45 -0.44 -2.12 0.00 0.00 175.29 173.45 1yao h ASP 87 N -0.47 0.16 -3.18 5.90 3.32 -1.93 -3.41 116.42 116.81 1yao h ASP 87 Ca -0.45 -0.12 -0.57 0.00 0.02 0.00 0.00 57.03 55.91 1yao h ASP 87 Cb 1.22 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 40.66 1yao h ASP 87 CO 0.63 0.88 0.84 0.21 -1.72 0.00 0.00 179.24 180.08 1yao s ASN 88 N -6.87 6.98 -0.02 6.45 3.84 -1.26 -4.92 114.94 119.13 1yao s ASN 88 Ca -0.02 1.23 0.10 0.00 0.21 0.00 0.00 52.86 54.38 1yao s ASN 88 Cb 0.11 -2.54 0.31 0.00 -0.55 0.00 0.00 41.25 38.57 1yao s ASN 88 CO 0.81 -0.81 1.21 2.30 -2.79 0.00 0.00 177.10 177.82 1yao n ILE 89 N 5.65 0.58 -0.08 -5.21 -5.35 -1.26 -4.48 119.36 109.21 1yao n ILE 89 Ca 0.12 -0.47 -0.07 0.00 -0.27 0.00 0.00 62.75 62.06 1yao n ILE 89 Cb 0.46 0.12 -0.01 0.00 -1.74 0.00 0.00 39.64 38.47 1yao n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1yao h ALA 90 N 3.49 0.17 -0.60 -1.28 0.00 -1.95 -0.60 119.26 118.49 1yao h ALA 90 Ca 0.00 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1yao h ALA 90 Cb 0.57 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1yao h ALA 90 CO 0.04 -0.48 0.03 -0.44 0.00 0.00 0.00 179.25 178.40 1yao h ASP 91 N -0.02 1.02 -0.80 0.00 3.32 -1.87 -1.42 116.42 116.63 1yao h ASP 91 Ca 0.14 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 1yao h ASP 91 Cb 0.24 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 1yao h ASP 91 CO -0.31 1.06 0.50 0.00 -1.72 0.00 0.00 179.24 178.76 1yao h ALA 92 N 0.99 1.36 -0.26 3.45 0.00 -1.69 -1.11 119.26 121.99 1yao h ALA 92 Ca 0.17 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1yao h ALA 92 Cb 0.52 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1yao h ALA 92 CO 0.03 0.56 -0.17 0.28 0.00 0.00 0.00 179.25 179.95 1yao h VAL 93 N 1.11 1.30 -0.72 0.00 2.07 -0.81 0.29 116.25 119.48 1yao h VAL 93 Ca 0.29 -1.29 0.01 0.00 0.82 0.00 0.00 66.70 66.53 1yao h VAL 93 Cb -0.06 1.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1yao h VAL 93 CO -0.06 0.41 0.47 0.00 0.02 0.00 0.00 177.57 178.41 1yao h ALA 94 N 0.71 1.47 -0.05 1.67 0.00 -0.93 -0.26 119.26 121.87 1yao h ALA 94 Ca 0.05 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 1yao h ALA 94 Cb 0.70 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1yao h ALA 94 CO 0.05 0.49 -0.86 0.00 0.00 0.00 0.00 179.25 178.92 1yao h ALA 96 N 0.73 1.12 -0.71 0.00 0.00 -0.40 -0.89 119.26 119.12 1yao h ALA 96 Ca -0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 1yao h ALA 96 Cb 1.48 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 1yao h ALA 96 CO 0.16 0.59 0.35 0.87 0.00 0.00 0.00 179.25 181.21 1yao h LYS 97 N 0.88 1.01 -0.40 0.00 1.57 -0.97 -2.50 116.57 116.17 1yao h LYS 97 Ca 0.19 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1yao h LYS 97 Cb 0.34 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1yao h LYS 97 CO 0.00 0.79 0.21 -0.09 -0.57 0.00 0.00 179.45 179.80 1yao h ARG 98 N 0.99 0.56 -0.38 3.15 9.65 -0.93 -2.88 114.38 124.54 1yao h ARG 98 Ca 0.24 -0.07 0.06 0.00 -1.10 0.00 0.00 59.98 59.12 1yao h ARG 98 Cb 0.10 -0.11 -0.06 0.00 -1.39 0.00 0.00 29.97 28.52 1yao h ARG 98 CO -0.03 0.46 0.04 0.28 2.80 0.00 0.00 179.97 183.52 1yao h VAL 99 N 0.51 0.76 0.00 0.20 2.07 -0.90 -1.89 116.25 117.00 1yao h VAL 99 Ca 0.14 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1yao h VAL 99 Cb 0.07 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 1yao h VAL 99 CO -0.02 0.03 0.00 1.33 0.02 0.00 0.00 177.57 178.93 1yao n VAL 100 N -5.14 0.36 1.22 2.57 0.24 -0.97 -2.29 118.33 114.32 1yao n VAL 100 Ca 0.02 0.09 0.14 0.00 -2.04 0.00 0.00 64.34 62.55 1yao n VAL 100 Cb 0.18 -0.74 0.68 0.00 -1.47 0.00 0.00 33.84 32.50 1yao n VAL 100 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1yao n ARG 101 N -1.31 0.26 -2.38 7.34 1.74 -0.71 -4.25 116.66 117.35 1yao n ARG 101 Ca 0.10 0.01 -0.31 0.00 -0.77 0.00 0.00 57.85 56.88 1yao n ARG 101 Cb 0.18 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.10 1yao n ARG 101 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1yao s ASP 102 N -2.73 6.41 0.34 0.55 1.11 -0.97 -4.98 116.67 116.39 1yao s ASP 102 Ca 0.22 1.31 0.12 0.00 0.18 0.00 0.00 52.55 54.38 1yao s ASP 102 Cb 0.19 -2.41 0.95 0.00 1.07 0.00 0.00 42.92 42.72 1yao s ASP 102 CO 0.47 -0.63 1.73 1.55 1.18 0.00 0.00 175.17 179.46 1yao h PRO 103 N 0.49 0.50 0.00 8.23 0.13 -1.88 -1.68 132.00 137.78 1yao h PRO 103 Ca -0.46 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 1yao h PRO 103 Cb 1.19 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1yao h PRO 103 CO 0.62 0.33 -0.16 1.96 -0.23 0.00 0.00 178.00 180.53 1yao h GLN 104 N 0.52 0.00 0.00 0.86 4.20 -1.91 -3.48 115.11 115.30 1yao h GLN 104 Ca 0.65 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.36 1yao h GLN 104 Cb 1.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.12 1yao h GLN 104 CO -0.46 0.16 0.00 0.41 -0.67 0.00 0.00 178.83 178.26 1yao n GLY 105 N -0.86 2.68 0.31 3.46 0.00 -0.64 -1.97 105.19 108.18 1yao n GLY 105 Ca -0.02 -0.38 0.19 0.00 0.00 0.00 0.00 46.02 45.80 1yao n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1yao h ILE 106 N 0.00 0.23 0.00 -0.61 6.09 -1.91 -1.95 117.51 119.36 1yao h ILE 106 Ca 0.00 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.38 1yao h ILE 106 Cb 0.00 1.09 0.00 0.00 0.47 0.00 0.00 36.82 38.38 1yao h ILE 106 CO 0.00 0.02 0.00 0.54 -3.07 0.00 0.00 178.15 175.64 1yao n ARG 107 N -3.37 0.03 0.24 2.19 1.74 -0.83 -2.74 116.66 113.91 1yao n ARG 107 Ca -0.03 0.30 0.10 0.00 -0.77 0.00 0.00 57.85 57.46 1yao n ARG 107 Cb 0.11 -1.50 0.68 0.00 -1.02 0.00 0.00 32.46 30.74 1yao n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1yao h ALA 108 N 2.38 1.99 -2.46 7.54 0.00 -1.50 -3.37 119.26 123.84 1yao h ALA 108 Ca 0.00 -0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 1yao h ALA 108 Cb 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.81 1yao h ALA 108 CO 0.00 -0.07 -0.06 -1.58 0.00 0.00 0.00 179.25 177.54 1yao s TRP 109 N -5.00 3.18 0.28 0.00 0.51 -1.11 -4.95 118.94 111.85 1yao s TRP 109 Ca -0.05 0.18 -0.01 0.00 -2.12 0.00 0.00 56.10 54.10 1yao s TRP 109 Cb 0.17 -2.90 0.45 0.00 -0.81 0.00 0.00 33.47 30.38 1yao s TRP 109 CO 0.66 -0.52 1.91 0.28 -0.51 0.00 0.00 176.95 178.76 1yao h VAL 110 N 5.60 1.11 -0.80 4.03 2.07 -1.89 -2.02 116.25 124.35 1yao h VAL 110 Ca -0.28 -0.39 0.10 0.00 0.82 0.00 0.00 66.70 66.95 1yao h VAL 110 Cb 1.13 -0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 1yao h VAL 110 CO 0.77 0.21 0.52 0.00 0.02 0.00 0.00 177.57 179.09 1yao h ALA 111 N 1.47 1.78 -0.86 1.67 0.00 -1.94 -1.16 119.26 120.23 1yao h ALA 111 Ca 0.40 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1yao h ALA 111 Cb 0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1yao h ALA 111 CO -0.14 0.05 0.45 2.35 0.00 0.00 0.00 179.25 181.96 1yao h TRP 112 N 0.72 1.20 -0.30 0.00 7.01 -1.68 0.68 115.95 123.59 1yao h TRP 112 Ca 0.37 -0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.31 1yao h TRP 112 Cb 0.48 -0.38 -0.01 0.00 -2.10 0.00 0.00 29.16 27.15 1yao h TRP 112 CO -0.00 0.84 0.10 0.00 -2.79 0.00 0.00 178.44 176.59 1yao h ARG 113 N 1.21 0.46 -0.02 2.65 3.08 -1.25 0.13 114.38 120.63 1yao h ARG 113 Ca 0.30 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 1yao h ARG 113 Cb 0.06 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 1yao h ARG 113 CO -0.04 0.50 0.00 -0.91 -1.07 0.00 0.00 179.97 178.45 1yao h ASN 114 N 0.32 0.04 -0.00 7.04 2.35 -1.00 -3.33 115.58 120.99 1yao h ASN 114 Ca 0.10 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 1yao h ASN 114 Cb 0.23 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1yao h ASN 114 CO -0.00 0.31 -0.69 0.54 -1.65 0.00 0.00 177.43 175.93 1yao n ARG 115 N -4.93 1.92 0.00 0.81 5.12 0.19 -4.83 116.66 114.94 1yao n ARG 115 Ca -0.07 -0.06 0.00 0.00 -1.93 0.00 0.00 57.85 55.78 1yao n ARG 115 Cb 0.16 -1.23 0.00 0.00 -1.16 0.00 0.00 32.46 30.23 1yao n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1yao n GLN 117 N -2.33 2.10 -2.24 0.00 7.27 0.20 -2.22 117.38 120.15 1yao n GLN 117 Ca 0.00 0.75 -0.18 0.00 0.07 0.00 0.00 57.00 57.64 1yao n GLN 117 Cb 0.42 -2.45 -0.02 0.00 2.41 0.00 0.00 30.24 30.60 1yao n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1yao n ASN 118 N 2.53 -5.22 -4.55 1.69 5.03 -1.26 -4.97 115.26 108.51 1yao n ASN 118 Ca 0.13 0.13 -0.26 0.00 0.87 0.00 0.00 54.58 55.45 1yao n ASN 118 Cb 0.31 -4.42 -0.10 0.00 -1.02 0.00 0.00 39.78 34.55 1yao n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1yao s ARG 119 N -4.75 1.84 -0.70 3.52 0.52 -0.94 -5.07 118.95 113.37 1yao s ARG 119 Ca 0.00 -1.90 -0.26 0.00 -0.52 0.00 0.00 55.73 53.05 1yao s ARG 119 Cb 0.00 -1.74 0.04 0.00 0.52 0.00 0.00 34.95 33.77 1yao s ARG 119 CO 0.00 0.16 1.18 0.34 0.02 0.00 0.00 175.30 177.00 1yao s ASP 120 N -3.61 6.20 0.00 0.23 2.15 -1.26 -4.83 116.67 115.54 1yao s ASP 120 Ca 0.33 -0.51 0.22 0.00 0.43 0.00 0.00 52.55 53.02 1yao s ASP 120 Cb 0.02 -2.52 0.51 0.00 -0.30 0.00 0.00 42.92 40.62 1yao s ASP 120 CO 0.17 -1.68 1.45 1.33 -0.17 0.00 0.00 175.17 176.26 1yao n VAL 121 N 6.30 0.58 -0.05 1.11 0.24 -1.26 -4.43 118.33 120.83 1yao n VAL 121 Ca 0.02 -0.74 0.14 0.00 -2.04 0.00 0.00 64.34 61.72 1yao n VAL 121 Cb 0.48 0.75 0.56 0.00 -1.47 0.00 0.00 33.84 34.16 1yao n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 1yao h ARG 122 N 4.04 0.27 -0.75 7.34 3.08 -1.92 -2.45 114.38 124.00 1yao h ARG 122 Ca 0.00 -0.02 0.16 0.00 0.07 0.00 0.00 59.98 60.20 1yao h ARG 122 Cb 0.90 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.84 1yao h ARG 122 CO 0.00 0.18 0.50 -0.56 -1.07 0.00 0.00 179.97 179.02 1yao h GLN 123 N 0.28 0.32 0.00 0.04 3.07 -1.98 -2.12 115.11 114.73 1yao h GLN 123 Ca 0.26 -0.02 -0.04 0.00 0.09 0.00 0.00 58.65 58.94 1yao h GLN 123 Cb 0.65 -0.07 -0.01 0.00 0.08 0.00 0.00 27.48 28.13 1yao h GLN 123 CO -0.06 0.21 -0.20 1.88 0.09 0.00 0.00 178.83 180.76 1yao h TYR 124 N 0.33 0.00 -0.01 0.06 0.05 -1.77 -3.21 116.97 112.41 1yao h TYR 124 Ca 0.37 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.15 1yao h TYR 124 Cb 0.96 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.70 1yao h TYR 124 CO -0.00 0.20 -0.01 1.33 -1.05 0.00 0.00 178.16 178.62 1yao n VAL 125 N -3.75 0.00 -2.10 -2.88 0.24 -0.83 -4.84 118.33 104.17 1yao n VAL 125 Ca -0.02 -0.49 -0.42 0.00 -2.04 0.00 0.00 64.34 61.38 1yao n VAL 125 Cb 0.31 1.14 -0.03 0.00 -1.47 0.00 0.00 33.84 33.78 1yao n VAL 125 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1yao s GLN 126 N -0.62 4.31 0.00 7.34 -1.52 -0.97 -2.28 119.66 125.93 1yao s GLN 126 Ca 0.08 2.19 0.00 0.00 -1.95 0.00 0.00 55.36 55.67 1yao s GLN 126 Cb 0.06 -3.17 0.00 0.00 -0.22 0.00 0.00 33.01 29.68 1yao s GLN 126 CO 0.09 -0.39 0.00 0.41 -0.25 0.00 0.00 175.29 175.16 1yao n GLY 127 N 2.65 0.96 0.05 3.09 0.00 -1.26 -4.89 105.19 105.78 1yao n GLY 127 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.23 1yao n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yao n GLY 129 N 1.40 0.25 0.10 0.00 0.00 -1.26 -4.83 105.19 100.85 1yao n GLY 129 Ca 0.05 -0.56 0.01 0.00 0.00 0.00 0.00 46.02 45.53 1yao n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65