#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ytf n TYR 6 N 0.00 -4.75 -2.25 1.61 4.01 -1.26 -4.97 117.16 109.55 1ytf n TYR 6 Ca 0.00 2.84 -0.33 0.00 -0.16 0.00 0.00 57.90 60.25 1ytf n TYR 6 Cb 0.00 -3.70 -0.01 0.00 -0.31 0.00 0.00 39.34 35.32 1ytf n TYR 6 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1ytf s TYR 7 N -0.53 3.05 -1.74 -0.72 2.02 -1.26 -4.97 117.35 113.20 1ytf s TYR 7 Ca 0.00 1.53 0.18 0.00 -0.37 0.00 0.00 57.07 58.41 1ytf s TYR 7 Cb 0.00 -3.00 0.59 0.00 -0.40 0.00 0.00 41.96 39.15 1ytf s TYR 7 CO 0.00 -0.92 1.49 0.39 -1.57 0.00 0.00 175.55 174.93 1ytf n GLU 8 N -1.64 2.78 0.10 -0.62 1.02 -1.26 -4.52 120.64 116.49 1ytf n GLU 8 Ca 0.09 -2.36 0.04 0.00 -0.02 0.00 0.00 57.16 54.90 1ytf n GLU 8 Cb 0.53 -1.60 0.44 0.00 -0.02 0.00 0.00 31.44 30.79 1ytf n GLU 8 CO 0.00 0.00 0.00 1.37 1.18 0.00 0.00 177.13 179.68 1ytf h LEU 9 N 3.68 0.28 0.00 -4.62 8.10 -1.99 -2.63 115.31 118.14 1ytf h LEU 9 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 57.88 57.96 1ytf h LEU 9 Cb 1.00 -0.07 0.00 0.00 -0.44 0.00 0.00 40.66 41.15 1ytf h LEU 9 CO 0.07 0.31 0.00 -1.22 -4.11 0.00 0.00 178.44 173.49 1ytf n TYR 10 N -4.39 0.00 0.34 0.17 4.01 -1.26 -2.00 117.16 114.03 1ytf n TYR 10 Ca 0.00 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.89 1ytf n TYR 10 Cb 0.17 -0.27 0.49 0.00 -0.31 0.00 0.00 39.34 39.41 1ytf n TYR 10 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1ytf h ARG 11 N 0.00 0.00 -0.00 -0.72 3.08 -1.81 -2.47 114.38 112.46 1ytf h ARG 11 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ytf h ARG 11 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1ytf h ARG 11 CO 0.00 0.00 -0.08 0.54 -1.07 0.00 0.00 179.97 179.36 1ytf n ARG 12 N -2.78 0.89 -1.90 0.04 1.74 -0.85 -1.73 116.66 112.07 1ytf n ARG 12 Ca 0.02 -0.31 -0.29 0.00 -0.77 0.00 0.00 57.85 56.50 1ytf n ARG 12 Cb 0.35 -1.49 0.08 0.00 -1.02 0.00 0.00 32.46 30.38 1ytf n ARG 12 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ytf s SER 13 N -2.32 4.66 0.14 0.55 1.04 -0.93 -4.73 113.70 112.11 1ytf s SER 13 Ca 0.33 0.83 -0.20 0.00 0.48 0.00 0.00 55.95 57.40 1ytf s SER 13 Cb 0.20 -1.37 0.02 0.00 0.10 0.00 0.00 66.02 64.97 1ytf s SER 13 CO 0.44 -1.81 1.68 0.74 0.98 0.00 0.00 173.24 175.26 1ytf h THR 14 N -0.99 0.66 -0.27 2.02 2.02 -1.89 0.30 112.91 114.76 1ytf h THR 14 Ca -0.46 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 66.65 1ytf h THR 14 Cb 1.32 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.38 1ytf h THR 14 CO 0.66 0.00 -0.15 -0.29 0.37 0.00 0.00 175.52 176.10 1ytf h ILE 15 N -0.06 1.23 -0.20 3.11 2.10 -1.93 -2.33 117.51 119.44 1ytf h ILE 15 Ca 0.13 -1.06 -0.07 0.00 1.08 0.00 0.00 64.86 64.94 1ytf h ILE 15 Cb 0.25 1.20 -0.00 0.00 -1.09 0.00 0.00 36.82 37.18 1ytf h ILE 15 CO -0.29 0.34 -0.15 1.23 -1.08 0.00 0.00 178.15 178.20 1ytf h GLY 16 N 0.94 0.50 0.96 8.18 0.00 -1.40 -2.38 103.07 109.87 1ytf h GLY 16 Ca 0.08 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.91 1ytf h GLY 16 CO 0.03 0.44 0.20 3.43 0.00 0.00 0.00 176.54 180.64 1ytf h ASN 17 N 0.14 0.46 -0.66 0.19 2.35 0.41 -1.82 115.58 116.67 1ytf h ASN 17 Ca 0.04 -0.09 0.10 0.00 -0.55 0.00 0.00 56.30 55.80 1ytf h ASN 17 Cb 0.67 -0.12 -0.08 0.00 0.05 0.00 0.00 38.32 38.85 1ytf h ASN 17 CO 0.04 0.42 0.26 0.28 -1.65 0.00 0.00 177.43 176.79 1ytf h SER 18 N 0.47 0.28 -0.11 5.81 0.02 -1.39 0.13 113.55 118.75 1ytf h SER 18 Ca 0.13 0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1ytf h SER 18 Cb 0.06 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 1ytf h SER 18 CO -0.02 0.15 0.07 0.25 -1.14 0.00 0.00 176.83 176.14 1ytf h LEU 19 N 0.45 0.14 -0.22 5.07 5.85 -1.14 -0.59 115.31 124.87 1ytf h LEU 19 Ca 0.34 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 59.05 1ytf h LEU 19 Cb 0.43 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.36 1ytf h LEU 19 CO -0.32 0.15 -0.14 0.58 -0.34 0.00 0.00 178.44 178.37 1ytf h VAL 20 N 0.11 0.59 -0.65 1.05 2.07 -0.34 -0.85 116.25 118.22 1ytf h VAL 20 Ca 0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.59 1ytf h VAL 20 Cb 0.04 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1ytf h VAL 20 CO -0.01 0.00 0.41 0.44 0.02 0.00 0.00 177.57 178.43 1ytf h ASP 21 N -0.13 0.67 0.47 0.57 3.32 -0.61 0.55 116.42 121.25 1ytf h ASP 21 Ca 0.12 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1ytf h ASP 21 Cb 0.32 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1ytf h ASP 21 CO -0.30 0.46 -0.25 0.00 -1.72 0.00 0.00 179.24 177.44 1ytf h ALA 22 N 1.28 -0.66 -0.44 3.45 0.00 -0.51 -2.30 119.26 120.08 1ytf h ALA 22 Ca 0.26 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1ytf h ALA 22 Cb 0.01 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1ytf h ALA 22 CO -0.10 -0.88 0.22 -0.07 0.00 0.00 0.00 179.25 178.42 1ytf h LEU 23 N -0.66 0.31 -1.25 0.00 3.38 -0.95 -1.60 115.31 114.53 1ytf h LEU 23 Ca -0.06 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.07 1ytf h LEU 23 Cb 0.52 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 1ytf h LEU 23 CO 0.09 0.22 0.58 0.44 0.09 0.00 0.00 178.44 179.86 1ytf h ASP 24 N 0.43 0.69 0.04 -0.43 3.32 -0.80 -1.21 116.42 118.47 1ytf h ASP 24 Ca 0.19 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.28 1ytf h ASP 24 Cb 0.10 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1ytf h ASP 24 CO -0.14 0.36 -0.02 0.74 -1.72 0.00 0.00 179.24 178.46 1ytf h THR 25 N 0.73 1.24 -0.82 0.35 2.02 -0.73 -1.25 112.91 114.46 1ytf h THR 25 Ca 0.45 -0.91 0.15 0.00 0.77 0.00 0.00 66.41 66.86 1ytf h THR 25 Cb 0.67 1.85 -0.06 0.00 -1.74 0.00 0.00 68.15 68.87 1ytf h THR 25 CO -0.21 0.23 0.54 -0.07 0.37 0.00 0.00 175.52 176.38 1ytf h LEU 26 N -0.45 0.50 0.37 2.58 3.38 -0.53 0.38 115.31 121.53 1ytf h LEU 26 Ca -0.00 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1ytf h LEU 26 Cb 0.42 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1ytf h LEU 26 CO 0.01 0.25 -0.18 0.40 0.09 0.00 0.00 178.44 179.01 1ytf h ILE 27 N 0.53 0.00 0.36 1.22 2.04 -1.12 -2.54 117.51 118.00 1ytf h ILE 27 Ca 0.41 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 1ytf h ILE 27 Cb 0.81 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1ytf h ILE 27 CO -0.15 0.00 -0.17 0.28 0.00 0.00 0.00 178.15 178.10 1ytf h SER 28 N -0.85 -0.41 -0.74 1.72 0.02 -0.90 -3.30 113.55 109.08 1ytf h SER 28 Ca -0.05 0.01 0.16 0.00 -0.84 0.00 0.00 61.79 61.08 1ytf h SER 28 Cb 0.38 0.11 -0.11 0.00 0.14 0.00 0.00 62.40 62.91 1ytf h SER 28 CO 0.08 -0.19 0.17 -0.78 -1.14 0.00 0.00 176.83 174.98 1ytf h ASP 29 N -0.71 0.00 0.00 3.07 3.58 -0.46 -3.42 116.42 118.48 1ytf h ASP 29 Ca -0.05 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1ytf h ASP 29 Cb 0.37 0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.63 1ytf h ASP 29 CO 0.08 -0.05 0.00 0.61 -2.88 0.00 0.00 179.24 177.00 1ytf n GLY 30 N -1.36 0.71 0.83 -0.78 0.00 -1.13 -5.04 105.19 98.42 1ytf n GLY 30 Ca 0.14 -0.23 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 1ytf n GLY 30 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ytf n ARG 31 N 0.00 0.00 -2.20 1.61 1.85 -1.20 -4.88 116.66 111.83 1ytf n ARG 31 Ca 0.00 -0.82 -0.42 0.00 -1.00 0.00 0.00 57.85 55.61 1ytf n ARG 31 Cb 0.00 0.08 -0.03 0.00 -1.05 0.00 0.00 32.46 31.46 1ytf n ARG 31 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1ytf s ILE 32 N 0.00 3.50 -0.56 8.89 1.09 -0.97 -4.87 121.20 128.28 1ytf s ILE 32 Ca 0.06 1.02 -0.41 0.00 -1.10 0.00 0.00 60.65 60.22 1ytf s ILE 32 Cb 0.06 -3.66 -0.18 0.00 -1.06 0.00 0.00 42.46 37.62 1ytf s ILE 32 CO -0.03 0.05 2.24 -0.62 -0.10 0.00 0.00 174.94 176.48 1ytf n GLU 33 N 4.47 0.14 -1.05 2.79 4.71 -1.26 -4.29 120.64 126.14 1ytf n GLU 33 Ca 0.12 0.03 -0.27 0.00 -0.01 0.00 0.00 57.16 57.03 1ytf n GLU 33 Cb 0.43 -1.64 0.22 0.00 -1.01 0.00 0.00 31.44 29.45 1ytf n GLU 33 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1ytf n ALA 34 N 8.34 -2.85 0.00 0.62 0.00 -1.26 -3.19 120.51 122.16 1ytf n ALA 34 Ca 0.55 -1.49 0.00 0.00 0.00 0.00 0.00 53.44 52.50 1ytf n ALA 34 Cb 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.36 1ytf n ALA 34 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ytf n SER 35 N -4.56 0.00 -0.05 0.00 7.64 -1.26 -4.36 113.62 111.03 1ytf n SER 35 Ca 0.14 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.91 1ytf n SER 35 Cb 0.53 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.75 1ytf n SER 35 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1ytf h LEU 36 N 0.00 0.81 -1.12 -3.43 5.85 -1.95 -2.29 115.31 113.18 1ytf h LEU 36 Ca 0.00 -0.40 0.14 0.00 0.84 0.00 0.00 57.88 58.46 1ytf h LEU 36 Cb 0.00 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 40.72 1ytf h LEU 36 CO 0.00 1.15 0.61 0.00 -0.34 0.00 0.00 178.44 179.86 1ytf h ALA 37 N 0.87 1.67 -0.38 1.25 0.00 -1.76 0.18 119.26 121.09 1ytf h ALA 37 Ca 0.03 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1ytf h ALA 37 Cb 1.04 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1ytf h ALA 37 CO 0.10 0.07 -0.01 1.98 0.00 0.00 0.00 179.25 181.39 1ytf h MET 38 N 0.85 0.67 -0.60 0.00 1.85 -1.80 -1.52 114.93 114.38 1ytf h MET 38 Ca 0.49 -0.22 0.07 0.00 -0.61 0.00 0.00 59.70 59.43 1ytf h MET 38 Cb 0.63 -0.06 -0.06 0.00 0.43 0.00 0.00 31.60 32.55 1ytf h MET 38 CO -0.25 0.78 0.28 -0.09 -0.40 0.00 0.00 176.91 177.23 1ytf h ARG 39 N 0.49 0.50 -0.03 0.39 9.65 -0.23 0.19 114.38 125.35 1ytf h ARG 39 Ca 0.11 -0.03 0.01 0.00 -1.10 0.00 0.00 59.98 58.96 1ytf h ARG 39 Cb 0.48 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 28.94 1ytf h ARG 39 CO 0.02 0.33 -0.01 0.28 2.80 0.00 0.00 179.97 183.40 1ytf h VAL 40 N 0.52 0.97 -0.46 0.20 2.07 -0.56 -2.01 116.25 116.98 1ytf h VAL 40 Ca 0.28 -0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.82 1ytf h VAL 40 Cb 0.25 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1ytf h VAL 40 CO -0.23 0.00 0.30 -0.07 0.02 0.00 0.00 177.57 177.60 1ytf h LEU 41 N 0.00 0.49 -1.01 2.57 3.38 -0.54 0.83 115.31 121.03 1ytf h LEU 41 Ca 0.01 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1ytf h LEU 41 Cb 0.02 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1ytf h LEU 41 CO -0.03 0.35 -0.02 -0.33 0.09 0.00 0.00 178.44 178.50 1ytf h GLU 42 N 0.57 0.69 -0.28 1.13 5.08 -0.45 -1.07 114.58 120.25 1ytf h GLU 42 Ca 0.17 -0.18 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1ytf h GLU 42 Cb 0.00 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1ytf h GLU 42 CO -0.04 0.72 -0.14 1.15 -1.00 0.00 0.00 179.01 179.70 1ytf h THR 43 N 0.64 1.30 -0.22 1.13 2.02 -0.36 -3.10 112.91 114.32 1ytf h THR 43 Ca 0.13 -1.23 0.05 0.00 0.77 0.00 0.00 66.41 66.13 1ytf h THR 43 Cb 0.43 1.50 -0.06 0.00 -1.74 0.00 0.00 68.15 68.28 1ytf h THR 43 CO 0.02 0.39 -0.15 0.15 0.37 0.00 0.00 175.52 176.30 1ytf h PHE 44 N 0.33 -0.38 -0.66 3.16 3.57 -0.33 -0.69 116.94 121.95 1ytf h PHE 44 Ca 0.06 0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.73 1ytf h PHE 44 Cb 0.65 0.20 -0.11 0.00 2.79 0.00 0.00 35.95 39.49 1ytf h PHE 44 CO 0.06 -0.22 0.07 -0.44 -2.23 0.00 0.00 178.31 175.55 1ytf h ASP 45 N -0.14 -0.16 -0.05 0.41 3.32 -1.17 -0.77 116.42 117.86 1ytf h ASP 45 Ca 0.13 0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 1ytf h ASP 45 Cb 0.33 0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 1ytf h ASP 45 CO -0.31 -0.08 -0.02 0.50 -1.72 0.00 0.00 179.24 177.61 1ytf h LYS 46 N 0.18 0.09 0.03 3.56 3.64 -1.36 -3.03 116.57 119.69 1ytf h LYS 46 Ca 0.36 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.71 1ytf h LYS 46 Cb 0.59 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 1ytf h LYS 46 CO -0.52 0.47 -0.12 0.28 -2.27 0.00 0.00 179.45 177.30 1ytf h VAL 47 N -0.29 0.72 -0.85 2.00 2.07 -0.58 -1.50 116.25 117.81 1ytf h VAL 47 Ca 0.01 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.61 1ytf h VAL 47 Cb 0.44 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 1ytf h VAL 47 CO 0.01 0.00 0.55 0.58 0.02 0.00 0.00 177.57 178.73 1ytf h VAL 48 N -0.21 1.01 0.39 2.57 2.07 -1.25 0.12 116.25 120.94 1ytf h VAL 48 Ca 0.03 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1ytf h VAL 48 Cb 0.25 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1ytf h VAL 48 CO -0.09 0.16 -0.19 0.00 0.02 0.00 0.00 177.57 177.47 1ytf h ALA 49 N 1.56 -0.52 -0.69 1.67 0.00 -1.30 0.11 119.26 120.09 1ytf h ALA 49 Ca 0.38 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1ytf h ALA 49 Cb 0.32 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1ytf h ALA 49 CO -0.15 -0.70 0.13 0.93 0.00 0.00 0.00 179.25 179.46 1ytf h GLU 50 N -0.70 1.12 -0.43 0.00 5.08 -0.90 -1.73 114.58 117.03 1ytf h GLU 50 Ca -0.05 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 57.99 1ytf h GLU 50 Cb 0.49 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1ytf h GLU 50 CO 0.09 1.01 0.18 1.15 -1.00 0.00 0.00 179.01 180.43 1ytf h THR 51 N 1.05 1.20 0.00 1.13 2.02 -0.72 0.40 112.91 117.99 1ytf h THR 51 Ca 0.21 -0.60 -0.00 0.00 0.77 0.00 0.00 66.41 66.78 1ytf h THR 51 Cb 0.42 0.80 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1ytf h THR 51 CO 0.01 0.22 -0.01 -0.07 0.37 0.00 0.00 175.52 176.04 1ytf h LEU 52 N 0.55 0.00 0.07 2.58 3.38 -0.88 0.37 115.31 121.37 1ytf h LEU 52 Ca 0.14 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.89 1ytf h LEU 52 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1ytf h LEU 52 CO -0.01 0.01 -1.16 0.50 0.09 0.00 0.00 178.44 177.88 1ytf h LYS 53 N 0.00 0.15 0.00 1.13 3.64 -0.48 -3.39 116.57 117.62 1ytf h LYS 53 Ca -0.00 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1ytf h LYS 53 Cb 0.52 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1ytf h LYS 53 CO 0.00 1.12 -1.63 -0.25 -2.27 0.00 0.00 179.45 176.43 1ytf n ASP 54 N -4.15 0.31 -1.15 4.20 8.00 0.13 -4.55 116.55 119.34 1ytf n ASP 54 Ca -0.24 -0.07 -0.05 0.00 0.71 0.00 0.00 54.79 55.14 1ytf n ASP 54 Cb 0.79 1.51 0.18 0.00 -0.02 0.00 0.00 41.12 43.58 1ytf n ASP 54 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1ytf n ASN 55 N -2.22 2.68 -4.32 -2.24 3.02 0.13 -5.01 115.26 107.30 1ytf n ASN 55 Ca -0.02 -3.83 -0.23 0.00 -0.03 0.00 0.00 54.58 50.48 1ytf n ASN 55 Cb 0.53 -0.59 -0.12 0.00 -0.61 0.00 0.00 39.78 38.99 1ytf n ASN 55 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1ytf s THR 56 N -3.44 1.79 0.00 3.41 -4.23 -1.25 -4.92 115.64 106.99 1ytf s THR 56 Ca 0.44 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 1ytf s THR 56 Cb 0.40 -1.75 0.00 0.00 1.34 0.00 0.00 72.50 72.50 1ytf s THR 56 CO -0.02 -0.22 0.00 0.00 -0.54 0.00 0.00 174.62 173.84 1ytf n GLN 57 N 0.57 0.52 -1.47 3.99 3.00 -1.26 -5.05 117.38 117.69 1ytf n GLN 57 Ca -0.15 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.43 1ytf n GLN 57 Cb 0.56 -0.69 0.01 0.00 0.00 0.00 0.00 30.24 30.12 1ytf n GLN 57 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1ytf n SER 58 N -1.61 -0.73 -4.01 1.08 7.64 -1.26 -5.01 113.62 109.71 1ytf n SER 58 Ca 0.00 0.89 -0.25 0.00 1.01 0.00 0.00 58.87 60.51 1ytf n SER 58 Cb 0.19 -1.15 -0.17 0.00 -1.01 0.00 0.00 64.21 62.08 1ytf n SER 58 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1ytf s LYS 59 N -1.71 1.73 0.18 1.43 2.36 -1.26 -4.98 119.74 117.49 1ytf s LYS 59 Ca 0.64 -0.40 0.07 0.00 -2.55 0.00 0.00 55.97 53.73 1ytf s LYS 59 Cb -0.57 -1.49 -0.04 0.00 -1.05 0.00 0.00 37.83 34.68 1ytf s LYS 59 CO 0.57 -0.03 0.00 -0.51 1.55 0.00 0.00 175.35 176.93 1ytf s LEU 60 N 0.87 3.31 -0.06 5.43 1.43 -1.26 -0.76 118.68 127.64 1ytf s LEU 60 Ca -0.10 -0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 52.58 1ytf s LEU 60 Cb -0.15 -1.96 0.03 0.00 0.03 0.00 0.00 46.19 44.14 1ytf s LEU 60 CO 0.01 0.09 -0.00 -0.89 0.23 0.00 0.00 176.35 175.79 1ytf s THR 61 N -1.75 0.36 -0.17 5.49 2.01 -0.75 -4.95 115.64 115.88 1ytf s THR 61 Ca 0.28 0.10 0.01 0.00 0.31 0.00 0.00 61.69 62.38 1ytf s THR 61 Cb -0.09 -0.51 0.01 0.00 0.01 0.00 0.00 72.50 71.92 1ytf s THR 61 CO 0.19 0.25 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.50 1ytf s VAL 62 N 1.80 2.42 -0.06 3.82 1.01 -1.26 -0.57 120.40 127.56 1ytf s VAL 62 Ca 0.02 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.18 1ytf s VAL 62 Cb -0.13 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.25 1ytf s VAL 62 CO -0.04 0.52 -0.11 -0.54 0.00 0.00 0.00 175.10 174.93 1ytf s LYS 63 N 1.04 1.49 0.00 2.72 1.02 -0.52 -4.99 119.74 120.50 1ytf s LYS 63 Ca -0.01 -0.35 0.00 0.00 0.02 0.00 0.00 55.97 55.63 1ytf s LYS 63 Cb -0.15 -1.27 0.00 0.00 -0.52 0.00 0.00 37.83 35.90 1ytf s LYS 63 CO -0.05 0.01 0.00 0.41 -0.92 0.00 0.00 175.35 174.80 1ytf n GLY 64 N 3.82 -0.59 3.79 -3.33 0.00 -1.26 -0.82 105.19 106.80 1ytf n GLY 64 Ca -0.23 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 1ytf n GLY 64 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ytf s ASN 65 N -4.00 6.86 -0.54 1.61 0.01 -0.48 -4.93 114.94 113.46 1ytf s ASN 65 Ca 0.00 1.02 -0.21 0.00 -0.71 0.00 0.00 52.86 52.96 1ytf s ASN 65 Cb 0.00 -2.30 0.06 0.00 0.41 0.00 0.00 41.25 39.42 1ytf s ASN 65 CO 0.00 0.21 0.76 -0.22 -1.51 0.00 0.00 177.10 176.33 1ytf s LEU 66 N -0.56 4.71 0.08 0.60 2.96 -1.26 -0.70 118.68 124.52 1ytf s LEU 66 Ca 0.26 -0.82 -0.09 0.00 -0.22 0.00 0.00 54.13 53.26 1ytf s LEU 66 Cb -0.17 -2.53 -0.22 0.00 0.50 0.00 0.00 46.19 43.77 1ytf s LEU 66 CO 0.14 -1.07 1.18 -0.78 -1.32 0.00 0.00 176.35 174.51 1ytf h ASP 67 N 9.16 0.66 -4.88 3.68 3.58 -1.41 -3.48 116.42 123.74 1ytf h ASP 67 Ca -0.27 -0.60 -0.07 0.00 0.42 0.00 0.00 57.03 56.51 1ytf h ASP 67 Cb 1.09 -0.21 -0.19 0.00 1.72 0.00 0.00 39.33 41.73 1ytf h ASP 67 CO 1.04 1.43 0.12 -0.89 -2.88 0.00 0.00 179.24 178.05 1ytf s THR 68 N -3.01 0.01 0.22 2.25 2.01 -1.13 -4.99 115.64 110.99 1ytf s THR 68 Ca -0.07 -0.06 0.00 0.00 0.31 0.00 0.00 61.69 61.87 1ytf s THR 68 Cb 0.07 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.60 1ytf s THR 68 CO 0.90 -0.03 0.15 -0.72 -0.69 0.00 0.00 174.62 174.23 1ytf s TYR 69 N -1.03 1.24 -0.29 4.92 -0.85 -1.26 -1.10 117.35 118.98 1ytf s TYR 69 Ca -0.10 -1.41 -0.28 0.00 -0.52 0.00 0.00 57.07 54.75 1ytf s TYR 69 Cb -0.01 -0.58 0.19 0.00 0.38 0.00 0.00 41.96 41.94 1ytf s TYR 69 CO 0.08 -0.67 1.39 0.20 -1.52 0.00 0.00 175.55 175.03 1ytf s GLY 70 N -3.19 0.15 -0.04 5.49 0.00 -0.24 -4.95 107.32 104.54 1ytf s GLY 70 Ca 0.39 2.98 -0.02 0.00 0.00 0.00 0.00 44.72 48.07 1ytf s GLY 70 CO 0.14 1.25 0.08 -0.12 0.00 0.00 0.00 173.10 174.45 1ytf s PHE 71 N -0.85 -0.08 -0.27 1.90 5.36 -1.26 -1.20 117.98 121.58 1ytf s PHE 71 Ca 0.09 0.26 -0.26 0.00 -0.96 0.00 0.00 56.93 56.07 1ytf s PHE 71 Cb -0.02 -0.07 0.14 0.00 -0.34 0.00 0.00 43.02 42.73 1ytf s PHE 71 CO -0.09 -0.09 1.13 0.00 -1.46 0.00 0.00 175.22 174.70 1ytf n ASP 73 N 1.90 -3.21 -2.09 0.00 8.00 -1.26 -1.50 116.55 118.39 1ytf n ASP 73 Ca -0.11 -1.11 -0.16 0.00 0.71 0.00 0.00 54.79 54.11 1ytf n ASP 73 Cb 0.56 -2.71 -0.03 0.00 -0.02 0.00 0.00 41.12 38.93 1ytf n ASP 73 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1ytf n ASP 74 N -2.64 -4.59 -3.94 -2.24 8.00 -1.26 -4.96 116.55 104.92 1ytf n ASP 74 Ca -0.17 0.21 -0.23 0.00 0.71 0.00 0.00 54.79 55.30 1ytf n ASP 74 Cb 0.62 -3.96 -0.17 0.00 -0.02 0.00 0.00 41.12 37.59 1ytf n ASP 74 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ytf s VAL 75 N -2.65 0.87 -0.16 2.53 1.01 -0.56 -2.64 120.40 118.79 1ytf s VAL 75 Ca 0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 61.98 61.63 1ytf s VAL 75 Cb 0.00 -0.85 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 1ytf s VAL 75 CO 0.00 0.31 0.06 0.26 0.00 0.00 0.00 175.10 175.73 1ytf s TRP 76 N 1.03 3.26 -0.09 5.22 0.52 -0.45 -2.53 118.94 125.90 1ytf s TRP 76 Ca -0.09 0.11 0.03 0.00 0.02 0.00 0.00 56.10 56.18 1ytf s TRP 76 Cb -0.14 -2.03 0.00 0.00 -1.15 0.00 0.00 33.47 30.15 1ytf s TRP 76 CO -0.00 0.24 -0.20 0.99 0.02 0.00 0.00 176.95 177.99 1ytf s THR 77 N 0.10 1.78 0.06 2.01 2.01 -0.34 -1.18 115.64 120.08 1ytf s THR 77 Ca 0.05 -0.85 0.05 0.00 0.31 0.00 0.00 61.69 61.24 1ytf s THR 77 Cb -0.12 -1.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 1ytf s THR 77 CO 0.01 0.50 -0.14 -0.36 -0.69 0.00 0.00 174.62 173.94 1ytf s PHE 78 N 0.44 1.18 -0.26 4.92 0.08 -0.34 -1.08 117.98 122.92 1ytf s PHE 78 Ca -0.18 -0.44 -0.01 0.00 0.12 0.00 0.00 56.93 56.42 1ytf s PHE 78 Cb -0.17 -0.67 0.08 0.00 -0.57 0.00 0.00 43.02 41.68 1ytf s PHE 78 CO 0.07 0.05 0.05 0.42 -0.10 0.00 0.00 175.22 175.71 1ytf s ILE 79 N -1.21 0.83 -0.16 0.64 1.01 -0.26 -0.63 121.20 121.43 1ytf s ILE 79 Ca -0.02 -1.06 -0.12 0.00 0.00 0.00 0.00 60.65 59.45 1ytf s ILE 79 Cb -0.10 -1.45 -0.05 0.00 0.01 0.00 0.00 42.46 40.88 1ytf s ILE 79 CO 0.02 -0.42 0.25 -0.69 0.00 0.00 0.00 174.94 174.10 1ytf s VAL 80 N 1.68 5.33 0.12 2.92 1.01 0.19 -0.96 120.40 130.68 1ytf s VAL 80 Ca 0.03 0.46 0.08 0.00 0.00 0.00 0.00 61.98 62.55 1ytf s VAL 80 Cb -0.17 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1ytf s VAL 80 CO -0.16 0.43 -0.11 -0.54 0.00 0.00 0.00 175.10 174.72 1ytf s LYS 81 N 0.24 2.08 -1.12 2.72 -0.14 0.13 -0.62 119.74 123.02 1ytf s LYS 81 Ca 0.15 -1.07 -0.24 0.00 -1.36 0.00 0.00 55.97 53.45 1ytf s LYS 81 Cb -0.13 -2.27 0.01 0.00 -1.68 0.00 0.00 37.83 33.77 1ytf s LYS 81 CO 0.03 0.49 0.73 0.09 -0.76 0.00 0.00 175.35 175.94 1ytf n ASN 82 N 0.62 -4.95 -4.60 2.83 4.13 0.21 -1.39 115.26 112.13 1ytf n ASN 82 Ca -0.13 -1.09 -0.26 0.00 1.68 0.00 0.00 54.58 54.77 1ytf n ASN 82 Cb 0.53 -2.65 -0.09 0.00 -1.54 0.00 0.00 39.78 36.03 1ytf n ASN 82 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ytf s GLN 84 N -2.91 3.27 -0.13 0.00 -0.21 0.00 -0.98 119.66 118.70 1ytf s GLN 84 Ca 0.26 -0.67 0.00 0.00 0.02 0.00 0.00 55.36 54.97 1ytf s GLN 84 Cb -0.09 -2.62 -0.01 0.00 1.00 0.00 0.00 33.01 31.29 1ytf s GLN 84 CO 0.16 0.29 -0.14 0.08 -2.12 0.00 0.00 175.29 173.56 1ytf s VAL 85 N 0.16 2.98 -0.21 1.09 1.01 0.21 -1.43 120.40 124.22 1ytf s VAL 85 Ca -0.07 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 1ytf s VAL 85 Cb -0.15 -2.25 -0.00 0.00 0.00 0.00 0.00 36.38 33.98 1ytf s VAL 85 CO 0.05 0.52 -0.09 -0.89 0.00 0.00 0.00 175.10 174.69 1ytf s THR 86 N 0.40 3.01 -0.35 3.92 2.01 0.26 -0.02 115.64 124.87 1ytf s THR 86 Ca -0.11 -0.62 -0.17 0.00 0.31 0.00 0.00 61.69 61.10 1ytf s THR 86 Cb -0.16 -2.35 -0.01 0.00 0.01 0.00 0.00 72.50 70.00 1ytf s THR 86 CO 0.05 0.46 0.48 -0.69 -0.69 0.00 0.00 174.62 174.23 1ytf s VAL 87 N 1.39 5.05 0.00 3.82 1.01 -1.26 -1.81 120.40 128.60 1ytf s VAL 87 Ca 0.05 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1ytf s VAL 87 Cb -0.14 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.31 1ytf s VAL 87 CO -0.06 -0.18 0.00 -0.62 0.00 0.00 0.00 175.10 174.24 1ytf n GLU 88 N 5.65 0.00 0.00 2.72 -0.58 0.06 -4.91 120.64 123.58 1ytf n GLU 88 Ca -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 1ytf n GLU 88 Cb 0.49 -0.15 0.00 0.00 -0.57 0.00 0.00 31.44 31.21 1ytf n GLU 88 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1ytf n SER 104 N 0.00 0.00 -4.15 1.62 2.88 -1.26 -4.90 113.62 107.81 1ytf n SER 104 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 1ytf n SER 104 Cb 0.00 0.00 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 1ytf n SER 104 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1ytf s VAL 105 N 0.00 2.37 0.08 2.46 1.01 -1.26 -4.22 120.40 120.85 1ytf s VAL 105 Ca 0.00 -0.98 0.06 0.00 0.00 0.00 0.00 61.98 61.06 1ytf s VAL 105 Cb 0.00 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 1ytf s VAL 105 CO 0.00 0.40 -0.10 -0.63 0.00 0.00 0.00 175.10 174.77 1ytf s ILE 106 N 1.30 3.41 -0.02 2.22 1.09 0.97 -4.93 121.20 125.22 1ytf s ILE 106 Ca 0.03 -1.17 0.08 0.00 -1.10 0.00 0.00 60.65 58.48 1ytf s ILE 106 Cb -0.15 -2.57 -0.02 0.00 -1.06 0.00 0.00 42.46 38.67 1ytf s ILE 106 CO -0.09 0.17 -0.25 -0.44 -0.10 0.00 0.00 174.94 174.23 1ytf s SER 107 N -2.04 3.14 -0.03 3.58 0.01 -1.26 0.68 113.70 117.78 1ytf s SER 107 Ca 0.20 -0.45 0.01 0.00 1.31 0.00 0.00 55.95 57.03 1ytf s SER 107 Cb -0.11 -0.40 0.02 0.00 0.21 0.00 0.00 66.02 65.75 1ytf s SER 107 CO 0.12 0.32 -0.02 -0.69 0.41 0.00 0.00 173.24 173.39 1ytf s VAL 108 N -0.61 0.30 0.07 3.43 1.01 -0.16 -5.00 120.40 119.44 1ytf s VAL 108 Ca 0.10 -0.00 -0.20 0.00 0.00 0.00 0.00 61.98 61.87 1ytf s VAL 108 Cb -0.10 -0.36 -0.11 0.00 0.00 0.00 0.00 36.38 35.81 1ytf s VAL 108 CO -0.01 0.16 1.51 0.44 0.00 0.00 0.00 175.10 177.21 1ytf h ASP 109 N 7.13 0.29 -3.25 3.32 5.19 -1.91 -1.21 116.42 125.98 1ytf h ASP 109 Ca -0.41 -0.29 -0.31 0.00 -0.62 0.00 0.00 57.03 55.40 1ytf h ASP 109 Cb 1.14 -0.08 -0.36 0.00 0.18 0.00 0.00 39.33 40.22 1ytf h ASP 109 CO 0.48 0.51 -0.67 -0.75 -3.12 0.00 0.00 179.24 175.69 1ytf s LYS 110 N -5.04 0.00 -0.08 3.56 2.20 -1.26 -0.61 119.74 118.51 1ytf s LYS 110 Ca -0.14 0.44 0.03 0.00 -0.36 0.00 0.00 55.97 55.94 1ytf s LYS 110 Cb 0.06 -0.32 0.01 0.00 -1.51 0.00 0.00 37.83 36.06 1ytf s LYS 110 CO 0.72 -0.28 -0.17 -1.17 -0.36 0.00 0.00 175.35 174.09 1ytf s LEU 111 N 1.95 1.84 -0.17 5.43 2.96 0.21 -5.00 118.68 125.90 1ytf s LEU 111 Ca 0.00 -0.42 -0.07 0.00 -0.22 0.00 0.00 54.13 53.43 1ytf s LEU 111 Cb -0.12 -1.09 -0.04 0.00 0.50 0.00 0.00 46.19 45.44 1ytf s LEU 111 CO -0.05 0.09 0.06 -0.60 -1.32 0.00 0.00 176.35 174.53 1ytf s ARG 112 N 0.55 3.87 -0.07 1.98 3.52 -1.26 -0.64 118.95 126.90 1ytf s ARG 112 Ca -0.16 -0.34 0.05 0.00 -0.13 0.00 0.00 55.73 55.15 1ytf s ARG 112 Cb -0.17 -3.17 -0.00 0.00 -1.56 0.00 0.00 34.95 30.05 1ytf s ARG 112 CO 0.06 0.33 -0.22 0.42 -0.81 0.00 0.00 175.30 175.07 1ytf s ILE 113 N 0.20 1.88 -0.11 4.11 1.01 0.20 -5.00 121.20 123.48 1ytf s ILE 113 Ca 0.04 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.75 1ytf s ILE 113 Cb -0.12 -1.61 0.02 0.00 0.01 0.00 0.00 42.46 40.76 1ytf s ILE 113 CO 0.01 0.52 -0.10 -0.69 0.00 0.00 0.00 174.94 174.68 1ytf s VAL 114 N 0.10 1.17 -0.06 2.92 1.01 -1.26 -1.20 120.40 123.08 1ytf s VAL 114 Ca -0.10 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.51 1ytf s VAL 114 Cb -0.15 -1.14 0.01 0.00 0.00 0.00 0.00 36.38 35.10 1ytf s VAL 114 CO 0.05 0.39 -0.15 0.00 0.00 0.00 0.00 175.10 175.39 1ytf s ALA 115 N 1.42 1.44 0.05 5.51 0.00 -0.33 -5.00 121.76 124.85 1ytf s ALA 115 Ca 0.00 -0.57 0.02 0.00 0.00 0.00 0.00 51.96 51.41 1ytf s ALA 115 Cb -0.13 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 1ytf s ALA 115 CO -0.06 0.19 0.10 0.00 0.00 0.00 0.00 175.76 176.00 1ytf n ASN 117 N 0.62 2.53 0.15 0.00 2.85 -1.08 -4.90 115.26 115.44 1ytf n ASN 117 Ca -0.09 1.14 0.04 0.00 -0.11 0.00 0.00 54.58 55.56 1ytf n ASN 117 Cb 0.52 -1.39 0.10 0.00 1.24 0.00 0.00 39.78 40.24 1ytf n ASN 117 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1ytf h SER 118 N 4.08 0.00 -0.02 1.20 4.64 -1.97 -3.53 113.55 117.96 1ytf h SER 118 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1ytf h SER 118 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1ytf h SER 118 CO 0.75 0.46 0.00 0.29 -0.87 0.00 0.00 176.83 177.45