#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fap s VAL 2019N 0.00 0.12 -0.34 1.55 0.11 -1.26 -5.13 120.40 115.45 1fap s VAL 2019Ca 0.00 -0.98 -0.27 0.00 -2.93 0.00 0.00 61.98 57.80 1fap s VAL 2019Cb 0.00 -1.22 0.01 0.00 -1.53 0.00 0.00 36.38 33.64 1fap s VAL 2019CO 0.00 -0.54 0.98 0.00 -3.33 0.00 0.00 175.10 172.22 1fap s ALA 2020N -3.60 3.47 -0.14 1.54 0.00 -1.26 -5.02 121.76 116.74 1fap s ALA 2020Ca 0.03 -0.24 -0.15 0.00 0.00 0.00 0.00 51.96 51.59 1fap s ALA 2020Cb 0.03 -3.58 0.04 0.00 0.00 0.00 0.00 23.12 19.61 1fap s ALA 2020CO -0.10 -1.49 0.42 -1.50 0.00 0.00 0.00 175.76 173.09 1fap s ILE 2021N 3.51 0.01 0.33 0.00 2.07 -1.26 -5.15 121.20 120.70 1fap s ILE 2021Ca 0.41 -0.05 -0.29 0.00 -1.41 0.00 0.00 60.65 59.31 1fap s ILE 2021Cb -0.12 -0.61 -0.11 0.00 0.13 0.00 0.00 42.46 41.75 1fap s ILE 2021CO 0.16 -0.03 1.44 -0.76 -1.91 0.00 0.00 174.94 173.84 1fap s LEU 2022N 0.01 4.37 0.46 8.50 1.43 -1.26 -4.91 118.68 127.27 1fap s LEU 2022Ca -0.02 2.85 0.18 0.00 -1.03 0.00 0.00 54.13 56.12 1fap s LEU 2022Cb -0.03 -3.65 1.15 0.00 0.03 0.00 0.00 46.19 43.68 1fap s LEU 2022CO 0.01 -0.75 1.94 -0.50 0.23 0.00 0.00 176.35 177.29 1fap h TRP 2023N 3.79 0.35 0.07 0.29 4.06 -1.98 -0.11 115.95 122.41 1fap h TRP 2023Ca -0.49 0.01 0.01 0.00 2.06 0.00 0.00 58.89 60.48 1fap h TRP 2023Cb 1.23 -0.11 -0.04 0.00 -1.00 0.00 0.00 29.16 29.24 1fap h TRP 2023CO 0.56 0.14 -0.42 0.45 -3.56 0.00 0.00 178.44 175.61 1fap h HIS 2024N 0.30 -1.22 -0.39 0.49 3.86 -1.93 -0.89 115.15 115.37 1fap h HIS 2024Ca 0.33 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.53 1fap h HIS 2024Cb 0.88 0.52 -0.02 0.00 1.06 0.00 0.00 27.41 29.86 1fap h HIS 2024CO -0.00 -0.47 0.02 0.93 0.86 0.00 0.00 177.93 179.28 1fap h GLU 2025N -0.58 0.61 -0.23 2.45 5.08 -1.57 -1.32 114.58 119.03 1fap h GLU 2025Ca -0.00 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 1fap h GLU 2025Cb 0.59 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1fap h GLU 2025CO -0.24 0.61 0.06 1.98 -1.00 0.00 0.00 179.01 180.43 1fap h MET 2026N 0.58 0.36 -0.03 2.33 4.05 -0.97 -2.89 114.93 118.36 1fap h MET 2026Ca 0.13 -0.08 -0.20 0.00 -0.28 0.00 0.00 59.70 59.26 1fap h MET 2026Cb 0.34 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.08 1fap h MET 2026CO 0.01 0.46 -0.83 -1.49 0.23 0.00 0.00 176.91 175.29 1fap h TRP 2027N 0.20 0.52 0.42 1.39 4.06 -0.88 -1.97 115.95 119.70 1fap h TRP 2027Ca 0.07 -0.26 -0.01 0.00 2.06 0.00 0.00 58.89 60.76 1fap h TRP 2027Cb 0.25 -0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 28.32 1fap h TRP 2027CO 0.01 1.05 -0.41 1.25 -3.56 0.00 0.00 178.44 176.78 1fap h HIS 2028N 0.23 -1.11 0.00 0.49 2.76 -1.22 -0.49 115.15 115.81 1fap h HIS 2028Ca -0.05 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.09 1fap h HIS 2028Cb 1.44 0.43 -0.01 0.00 1.55 0.00 0.00 27.41 30.82 1fap h HIS 2028CO 0.05 -0.57 -0.19 1.05 -1.30 0.00 0.00 177.93 176.97 1fap h GLU 2029N -0.85 0.00 0.35 5.26 4.11 -1.59 -2.62 114.58 119.25 1fap h GLU 2029Ca -0.04 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.37 1fap h GLU 2029Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1fap h GLU 2029CO -0.06 0.19 -0.17 0.78 0.07 0.00 0.00 179.01 179.82 1fap h GLY 2030N 3.42 -0.49 0.70 1.06 0.00 -1.21 -0.93 103.07 105.62 1fap h GLY 2030Ca -0.00 0.18 0.07 0.00 0.00 0.00 0.00 47.33 47.58 1fap h GLY 2030CO 0.02 -0.18 0.65 1.41 0.00 0.00 0.00 176.54 178.44 1fap h LEU 2031N -0.72 1.03 -0.36 3.11 3.38 -1.17 0.88 115.31 121.45 1fap h LEU 2031Ca -0.05 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1fap h LEU 2031Cb 0.50 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1fap h LEU 2031CO 0.08 0.64 0.02 -0.08 0.09 0.00 0.00 178.44 179.18 1fap h GLU 2032N 1.15 0.63 -0.48 1.13 4.81 -1.38 -1.80 114.58 118.64 1fap h GLU 2032Ca 0.44 -0.19 -0.10 0.00 -0.13 0.00 0.00 59.36 59.38 1fap h GLU 2032Cb 0.22 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1fap h GLU 2032CO -0.19 0.73 -0.07 1.49 -0.73 0.00 0.00 179.01 180.24 1fap h GLU 2033N 0.46 0.90 -0.36 1.92 4.81 -0.59 -2.16 114.58 119.55 1fap h GLU 2033Ca 0.11 -0.32 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 1fap h GLU 2033Cb 0.44 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 1fap h GLU 2033CO 0.02 0.97 0.20 0.00 -0.73 0.00 0.00 179.01 179.46 1fap h ALA 2034N 0.90 0.46 -0.54 2.92 0.00 -0.83 -2.60 119.26 119.56 1fap h ALA 2034Ca 0.13 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1fap h ALA 2034Cb 0.61 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1fap h ALA 2034CO 0.04 -0.02 0.18 0.66 0.00 0.00 0.00 179.25 180.11 1fap h SER 2035N 0.46 0.78 -0.62 0.00 4.64 -1.11 -1.60 113.55 116.10 1fap h SER 2035Ca 0.13 -0.20 0.03 0.00 -0.47 0.00 0.00 61.79 61.28 1fap h SER 2035Cb 0.05 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 61.91 1fap h SER 2035CO -0.02 0.77 0.41 -0.09 -0.87 0.00 0.00 176.83 177.02 1fap h ARG 2036N 0.74 0.73 -0.11 4.77 2.43 -1.30 0.18 114.38 121.82 1fap h ARG 2036Ca 0.18 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.21 1fap h ARG 2036Cb 0.26 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1fap h ARG 2036CO -0.01 0.48 -0.28 -0.07 -1.51 0.00 0.00 179.97 178.58 1fap h LEU 2037N 0.75 0.45 0.25 3.80 3.38 -0.93 -0.10 115.31 122.92 1fap h LEU 2037Ca 0.24 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 1fap h LEU 2037Cb 0.04 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1fap h LEU 2037CO -0.06 0.95 -0.12 0.22 0.09 0.00 0.00 178.44 179.51 1fap h TYR 2038N -0.03 -0.31 -0.36 1.13 3.20 -1.03 0.25 116.97 119.82 1fap h TYR 2038Ca -0.00 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 1fap h TYR 2038Cb 0.89 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 1fap h TYR 2038CO 0.11 -0.19 0.08 0.74 -1.64 0.00 0.00 178.16 177.26 1fap h PHE 2039N -0.57 0.62 0.10 -3.82 0.04 -0.79 0.18 116.94 112.70 1fap h PHE 2039Ca -0.03 -0.08 -0.28 0.00 2.80 0.00 0.00 57.97 60.38 1fap h PHE 2039Cb 0.26 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.23 1fap h PHE 2039CO 0.06 0.61 -1.32 0.78 -0.60 0.00 0.00 178.31 177.84 1fap h GLY 2040N 0.44 0.25 0.00 -1.45 0.00 -1.10 -3.38 103.07 97.83 1fap h GLY 2040Ca 0.11 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.80 1fap h GLY 2040CO 0.00 0.56 0.00 1.18 0.00 0.00 0.00 176.54 178.28 1fap n GLU 2041N -3.46 1.16 -3.83 4.80 1.02 -1.01 -5.00 120.64 114.31 1fap n GLU 2041Ca -0.10 -1.04 -0.30 0.00 -0.02 0.00 0.00 57.16 55.70 1fap n GLU 2041Cb 1.02 -1.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.44 1fap n GLU 2041CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1fap n ARG 2042N -0.27 -3.82 -3.48 3.49 3.00 0.05 -4.90 116.66 110.73 1fap n ARG 2042Ca 0.00 0.46 -0.42 0.00 -0.01 0.00 0.00 57.85 57.88 1fap n ARG 2042Cb 0.14 -5.23 -0.04 0.00 0.00 0.00 0.00 32.46 27.33 1fap n ARG 2042CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 1fap s ASN 2043N -3.07 6.38 0.42 0.55 3.84 0.87 -4.87 114.94 119.06 1fap s ASN 2043Ca 0.60 -3.08 0.28 0.00 0.21 0.00 0.00 52.86 50.87 1fap s ASN 2043Cb -0.32 -2.07 0.90 0.00 -0.55 0.00 0.00 41.25 39.21 1fap s ASN 2043CO 0.74 -0.40 1.79 0.58 -2.79 0.00 0.00 177.10 177.02 1fap h VAL 2044N 4.56 0.00 -0.02 -5.21 2.07 -1.88 -2.55 116.25 113.23 1fap h VAL 2044Ca 0.10 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1fap h VAL 2044Cb 0.95 1.57 -0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1fap h VAL 2044CO 0.81 0.00 -0.02 0.50 0.02 0.00 0.00 177.57 178.88 1fap h LYS 2045N 0.00 0.04 -0.35 1.57 3.64 -1.96 -3.22 116.57 116.29 1fap h LYS 2045Ca 0.00 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1fap h LYS 2045Cb 0.68 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 1fap h LYS 2045CO 0.00 0.55 0.20 0.78 -2.27 0.00 0.00 179.45 178.71 1fap h GLY 2046N -0.46 0.51 1.72 5.01 0.00 -1.92 -2.44 103.07 105.50 1fap h GLY 2046Ca 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 1fap h GLY 2046CO 0.01 0.21 0.14 0.00 0.00 0.00 0.00 176.54 176.90 1fap h MET 2047N 0.45 0.37 -0.55 4.80 -0.00 -1.59 0.41 114.93 118.82 1fap h MET 2047Ca 0.12 -0.03 -0.11 0.00 -0.00 0.00 0.00 59.70 59.68 1fap h MET 2047Cb 0.03 -0.08 -0.02 0.00 -0.00 0.00 0.00 31.60 31.53 1fap h MET 2047CO -0.02 0.28 -0.09 0.74 -0.00 0.00 0.00 176.91 177.81 1fap h PHE 2048N 0.37 1.14 0.60 -0.10 0.04 -1.51 -3.11 116.94 114.37 1fap h PHE 2048Ca 0.10 -0.23 -0.02 0.00 2.80 0.00 0.00 57.97 60.62 1fap h PHE 2048Cb 0.02 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 37.88 1fap h PHE 2048CO 0.00 1.05 -0.42 0.93 -0.60 0.00 0.00 178.31 179.27 1fap h GLU 2049N 0.91 -0.94 -3.38 1.51 5.08 -0.52 -2.12 114.58 115.10 1fap h GLU 2049Ca 0.14 0.06 -0.73 0.00 -1.00 0.00 0.00 59.36 57.84 1fap h GLU 2049Cb 0.66 0.21 -0.10 0.00 0.50 0.00 0.00 28.75 30.02 1fap h GLU 2049CO 0.05 -0.63 2.60 1.55 -1.00 0.00 0.00 179.01 181.57 1fap n VAL 2050N -5.54 4.30 0.00 3.13 3.14 -0.12 -3.29 118.33 119.95 1fap n VAL 2050Ca -0.13 -3.83 0.00 0.00 -2.96 0.00 0.00 64.34 57.43 1fap n VAL 2050Cb 0.43 -2.40 0.00 0.00 -1.06 0.00 0.00 33.84 30.82 1fap n VAL 2050CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 1fap n LEU 2051N 3.95 0.00 0.01 6.55 7.94 -1.19 -4.34 117.00 129.91 1fap n LEU 2051Ca 0.52 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 55.29 1fap n LEU 2051Cb 0.33 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 44.19 1fap n LEU 2051CO 0.82 0.00 0.62 -0.08 -1.11 0.00 0.00 177.39 177.64 1fap h GLU 2052N 0.00 -0.06 -0.98 1.96 4.81 -1.37 -1.83 114.58 117.11 1fap h GLU 2052Ca 0.00 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.35 1fap h GLU 2052Cb 0.00 0.01 -0.13 0.00 0.63 0.00 0.00 28.75 29.26 1fap h GLU 2052CO 0.00 0.37 -0.49 -2.30 -0.73 0.00 0.00 179.01 175.86 1fap n PRO 2053N -4.91 -0.34 -0.27 0.92 -0.02 -1.26 -0.19 135.00 128.93 1fap n PRO 2053Ca -0.08 1.49 0.01 0.00 -2.02 0.00 0.00 63.50 62.90 1fap n PRO 2053Cb 0.24 -2.20 0.14 0.00 -0.02 0.00 0.00 33.50 31.66 1fap n PRO 2053CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1fap h LEU 2054N 0.00 0.63 -1.30 2.45 3.38 -1.89 0.82 115.31 119.40 1fap h LEU 2054Ca 0.24 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.18 1fap h LEU 2054Cb 0.48 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1fap h LEU 2054CO -0.94 0.37 -0.33 0.45 0.09 0.00 0.00 178.44 178.08 1fap h HIS 2055N 0.75 0.00 -0.01 1.13 3.86 -0.45 -3.06 115.15 117.37 1fap h HIS 2055Ca 0.36 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.57 1fap h HIS 2055Cb 0.30 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.77 1fap h HIS 2055CO -0.07 0.33 0.00 0.00 0.86 0.00 0.00 177.93 179.05 1fap h ALA 2056N 1.67 0.02 -0.22 2.45 0.00 0.19 -2.73 119.26 120.63 1fap h ALA 2056Ca -0.00 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.83 1fap h ALA 2056Cb 0.66 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.38 1fap h ALA 2056CO 0.04 -0.34 -0.34 0.52 0.00 0.00 0.00 179.25 179.14 1fap h MET 2057N -0.24 -0.35 -0.74 0.00 2.07 -1.32 -2.50 114.93 111.86 1fap h MET 2057Ca 0.00 0.02 0.15 0.00 -2.07 0.00 0.00 59.70 57.80 1fap h MET 2057Cb 0.27 0.08 -0.14 0.00 -1.87 0.00 0.00 31.60 29.94 1fap h MET 2057CO 0.00 -0.23 -0.19 0.52 1.07 0.00 0.00 176.91 178.08 1fap h MET 2058N -0.36 -0.01 0.00 1.72 2.86 -1.44 0.34 114.93 118.04 1fap h MET 2058Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1fap h MET 2058Cb 0.55 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1fap h MET 2058CO -0.42 -0.00 0.00 1.49 1.06 0.00 0.00 176.91 179.04 1fap h GLU 2059N -0.01 0.00 0.12 1.72 4.81 -1.14 -2.99 114.58 117.10 1fap h GLU 2059Ca 0.35 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 59.22 1fap h GLU 2059Cb 0.54 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 1fap h GLU 2059CO -0.76 0.00 -1.96 0.00 -0.73 0.00 0.00 179.01 175.56 1fap h ARG 2060N 0.00 0.26 0.00 1.92 2.47 0.01 -3.50 114.38 115.54 1fap h ARG 2060Ca 0.00 -0.45 0.00 0.00 -1.26 0.00 0.00 59.98 58.27 1fap h ARG 2060Cb 0.27 0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.75 1fap h ARG 2060CO 0.00 1.18 0.00 0.41 0.56 0.00 0.00 179.97 182.12 1fap n GLY 2061N 1.96 4.31 3.66 0.04 0.00 -0.94 -5.05 105.19 109.17 1fap n GLY 2061Ca -0.30 -0.60 -0.46 0.00 0.00 0.00 0.00 46.02 44.65 1fap n GLY 2061CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1fap n PRO 2062N -0.78 2.36 -0.07 1.61 -0.02 -1.26 -4.90 135.00 131.94 1fap n PRO 2062Ca 0.00 0.85 -0.05 0.00 -2.02 0.00 0.00 63.50 62.28 1fap n PRO 2062Cb 0.00 -2.80 -0.02 0.00 -0.02 0.00 0.00 33.50 30.66 1fap n PRO 2062CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1fap n GLN 2063N 7.16 0.44 -1.59 -0.52 6.02 -1.26 -4.82 117.38 122.81 1fap n GLN 2063Ca 0.23 0.47 -0.29 0.00 -0.01 0.00 0.00 57.00 57.40 1fap n GLN 2063Cb 0.34 -1.61 0.17 0.00 1.02 0.00 0.00 30.24 30.16 1fap n GLN 2063CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1fap s THR 2064N -2.27 1.91 0.15 5.09 -4.23 -1.26 -4.89 115.64 110.15 1fap s THR 2064Ca -0.16 0.00 -0.10 0.00 -1.18 0.00 0.00 61.69 60.26 1fap s THR 2064Cb 0.02 -2.79 -0.04 0.00 1.34 0.00 0.00 72.50 71.04 1fap s THR 2064CO 0.23 0.00 1.49 -0.07 -0.54 0.00 0.00 174.62 175.74 1fap h LEU 2065N -1.76 0.96 -1.00 4.79 4.07 -1.99 -1.93 115.31 118.46 1fap h LEU 2065Ca -0.47 -0.44 0.00 0.00 0.08 0.00 0.00 57.88 57.06 1fap h LEU 2065Cb 1.29 -0.27 -0.05 0.00 1.08 0.00 0.00 40.66 42.72 1fap h LEU 2065CO 0.48 1.22 0.61 0.11 -1.08 0.00 0.00 178.44 179.79 1fap h LYS 2066N 0.74 1.29 0.00 1.13 1.57 -2.00 -0.61 116.57 118.68 1fap h LYS 2066Ca 0.06 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 1fap h LYS 2066Cb 0.97 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1fap h LYS 2066CO 0.09 0.88 -0.48 0.93 -0.57 0.00 0.00 179.45 180.30 1fap h GLU 2067N 1.32 0.00 0.44 3.15 5.08 -1.92 -3.04 114.58 119.60 1fap h GLU 2067Ca 0.35 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.69 1fap h GLU 2067Cb -0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1fap h GLU 2067CO -0.07 0.48 -0.21 1.15 -1.00 0.00 0.00 179.01 179.35 1fap h THR 2068N 0.00 0.47 -0.38 1.13 2.02 -0.48 -2.72 112.91 112.95 1fap h THR 2068Ca -0.00 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 1fap h THR 2068Cb 1.07 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 1fap h THR 2068CO 0.06 0.07 0.17 0.77 0.37 0.00 0.00 175.52 176.96 1fap h SER 2069N -0.89 0.52 -0.96 4.18 4.64 -1.25 -0.19 113.55 119.59 1fap h SER 2069Ca -0.06 -0.15 0.19 0.00 -0.47 0.00 0.00 61.79 61.30 1fap h SER 2069Cb 0.57 -0.13 -0.08 0.00 -0.31 0.00 0.00 62.40 62.44 1fap h SER 2069CO 0.10 0.52 0.61 0.15 -0.87 0.00 0.00 176.83 177.34 1fap h PHE 2070N 0.48 0.82 -0.11 4.77 3.04 -1.68 0.94 116.94 125.21 1fap h PHE 2070Ca 0.13 0.03 -0.14 0.00 3.98 0.00 0.00 57.97 61.96 1fap h PHE 2070Cb 0.15 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.40 1fap h PHE 2070CO -0.01 0.22 -0.56 -0.97 -2.02 0.00 0.00 178.31 174.97 1fap h ASN 2071N 0.62 0.37 -0.40 0.41 -0.73 -0.75 -0.98 115.58 114.12 1fap h ASN 2071Ca 0.52 -0.20 -0.11 0.00 1.87 0.00 0.00 56.30 58.38 1fap h ASN 2071Cb 0.98 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 39.46 1fap h ASN 2071CO -0.27 0.85 -0.18 1.56 -0.37 0.00 0.00 177.43 179.02 1fap h GLN 2072N 0.25 0.83 0.58 6.67 4.20 0.21 -0.80 115.11 127.05 1fap h GLN 2072Ca 0.00 -0.36 -0.03 0.00 0.06 0.00 0.00 58.65 58.33 1fap h GLN 2072Cb 1.06 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.82 1fap h GLN 2072CO 0.09 0.99 -0.28 0.00 -0.67 0.00 0.00 178.83 178.96 1fap h ALA 2073N 0.82 -0.78 -0.20 3.87 0.00 -0.85 -3.39 119.26 118.72 1fap h ALA 2073Ca 0.09 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1fap h ALA 2073Cb 0.74 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1fap h ALA 2073CO 0.06 -0.75 0.00 0.66 0.00 0.00 0.00 179.25 179.22 1fap n TYR 2074N -5.30 0.26 -0.07 0.00 4.01 -0.38 -4.72 117.16 110.96 1fap n TYR 2074Ca -0.10 -0.36 -0.12 0.00 -0.16 0.00 0.00 57.90 57.16 1fap n TYR 2074Cb 0.32 -0.02 -0.05 0.00 -0.31 0.00 0.00 39.34 39.28 1fap n TYR 2074CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1fap h GLY 2075N 1.65 0.40 0.94 2.72 0.00 -1.21 -2.81 103.07 104.76 1fap h GLY 2075Ca 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 1fap h GLY 2075CO 0.00 0.29 -0.24 -0.09 0.00 0.00 0.00 176.54 176.50 1fap h ARG 2076N 0.11 -0.61 -0.14 4.80 2.43 -1.85 -1.35 114.38 117.77 1fap h ARG 2076Ca 0.05 0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.31 1fap h ARG 2076Cb 0.45 0.14 -0.06 0.00 -0.42 0.00 0.00 29.97 30.08 1fap h ARG 2076CO 0.02 -0.41 -0.24 -0.44 -1.51 0.00 0.00 179.97 177.39 1fap h ASP 2077N -0.64 -0.74 -0.09 -3.80 3.32 -1.89 -0.48 116.42 112.11 1fap h ASP 2077Ca -0.05 0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.13 1fap h ASP 2077Cb 0.51 0.33 -0.00 0.00 0.22 0.00 0.00 39.33 40.38 1fap h ASP 2077CO 0.07 -0.29 0.06 -0.07 -1.72 0.00 0.00 179.24 177.30 1fap h LEU 2078N -0.29 0.04 0.06 1.55 3.38 -1.42 0.10 115.31 118.73 1fap h LEU 2078Ca 0.11 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1fap h LEU 2078Cb 0.45 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1fap h LEU 2078CO -0.31 0.03 -0.03 -0.03 0.09 0.00 0.00 178.44 178.19 1fap h MET 2079N 0.05 -0.08 -0.73 1.13 4.05 -0.45 -2.91 114.93 116.00 1fap h MET 2079Ca 0.04 0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.49 1fap h MET 2079Cb 0.10 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 30.87 1fap h MET 2079CO -0.00 0.35 0.46 1.49 0.23 0.00 0.00 176.91 179.43 1fap h GLU 2080N -0.54 0.87 -0.99 0.39 4.81 -0.43 -0.18 114.58 118.52 1fap h GLU 2080Ca -0.01 -0.05 0.19 0.00 -0.13 0.00 0.00 59.36 59.36 1fap h GLU 2080Cb 0.47 -0.20 -0.10 0.00 0.63 0.00 0.00 28.75 29.55 1fap h GLU 2080CO 0.01 0.58 0.61 0.00 -0.73 0.00 0.00 179.01 179.49 1fap h ALA 2081N 1.31 1.80 -0.43 2.92 0.00 -0.88 0.48 119.26 124.45 1fap h ALA 2081Ca 0.29 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.15 1fap h ALA 2081Cb 0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1fap h ALA 2081CO -0.11 -0.15 -0.19 0.37 0.00 0.00 0.00 179.25 179.18 1fap h GLN 2082N 0.69 0.83 -0.46 0.00 4.15 -0.83 -2.26 115.11 117.24 1fap h GLN 2082Ca 0.55 -0.32 -0.08 0.00 0.77 0.00 0.00 58.65 59.57 1fap h GLN 2082Cb 0.95 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.58 1fap h GLN 2082CO -0.32 0.95 -0.04 1.49 -1.93 0.00 0.00 178.83 178.98 1fap h GLU 2083N 0.73 0.78 -0.84 1.69 4.57 -0.42 -0.02 114.58 121.07 1fap h GLU 2083Ca 0.11 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.05 1fap h GLU 2083Cb 0.71 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.18 1fap h GLU 2083CO 0.05 0.81 0.47 -1.49 -1.18 0.00 0.00 179.01 177.68 1fap h TRP 2084N 0.72 1.14 -0.56 0.92 4.06 -1.03 0.31 115.95 121.52 1fap h TRP 2084Ca 0.14 -0.02 -0.09 0.00 2.06 0.00 0.00 58.89 60.97 1fap h TRP 2084Cb 0.49 -0.37 -0.02 0.00 -1.00 0.00 0.00 29.16 28.26 1fap h TRP 2084CO 0.03 0.79 -0.01 0.00 -3.56 0.00 0.00 178.44 175.68 1fap h ARG 2086N 0.89 0.57 -0.88 0.00 3.08 -0.11 -1.96 114.38 115.98 1fap h ARG 2086Ca 0.16 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.21 1fap h ARG 2086Cb 0.54 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.41 1fap h ARG 2086CO 0.03 0.43 0.56 0.87 -1.07 0.00 0.00 179.97 180.78 1fap h LYS 2087N 0.56 1.01 -0.73 0.04 1.57 -0.21 0.97 116.57 119.78 1fap h LYS 2087Ca 0.15 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1fap h LYS 2087Cb -0.00 -0.23 -0.05 0.00 0.08 0.00 0.00 32.23 32.03 1fap h LYS 2087CO -0.03 0.67 0.45 -0.92 -0.57 0.00 0.00 179.45 179.05 1fap h TYR 2088N 1.04 0.85 -0.16 -1.35 3.20 -0.84 -2.10 116.97 117.61 1fap h TYR 2088Ca 0.37 0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.31 1fap h TYR 2088Cb 0.12 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 1fap h TYR 2088CO -0.02 0.47 0.11 0.52 -1.64 0.00 0.00 178.16 177.59 1fap h MET 2089N 0.87 0.00 0.00 1.82 2.86 -0.06 0.16 114.93 120.58 1fap h MET 2089Ca 0.30 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.89 1fap h MET 2089Cb 0.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 1fap h MET 2089CO -0.13 0.00 -1.25 0.36 1.06 0.00 0.00 176.91 176.95 1fap n LYS 2090N -4.49 0.62 0.00 1.72 -0.00 -0.84 -4.58 118.16 110.59 1fap n LYS 2090Ca 0.01 0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.43 1fap n LYS 2090Cb 0.24 -1.78 0.00 0.00 -0.00 0.00 0.00 35.03 33.49 1fap n LYS 2090CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1fap n SER 2091N -2.69 4.69 -0.51 -5.58 3.41 -0.89 -5.02 113.62 107.03 1fap n SER 2091Ca -0.04 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.51 1fap n SER 2091Cb 0.64 0.64 -0.03 0.00 -0.26 0.00 0.00 64.21 65.21 1fap n SER 2091CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fap n GLY 2092N 2.66 0.85 0.29 5.00 0.00 0.51 -4.91 105.19 109.60 1fap n GLY 2092Ca 0.00 -0.40 -0.07 0.00 0.00 0.00 0.00 46.02 45.55 1fap n GLY 2092CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1fap h ASN 2093N 0.00 0.93 0.00 1.61 -0.00 -1.87 -3.47 115.58 112.78 1fap h ASN 2093Ca -0.14 -0.26 0.00 0.00 -0.00 0.00 0.00 56.30 55.90 1fap h ASN 2093Cb 0.58 -0.25 0.00 0.00 -0.00 0.00 0.00 38.32 38.65 1fap h ASN 2093CO 0.20 1.00 0.00 0.55 -0.00 0.00 0.00 177.43 179.18 1fap n VAL 2094N -4.18 0.00 0.82 2.57 3.14 -1.26 -4.64 118.33 114.79 1fap n VAL 2094Ca 0.02 0.00 0.12 0.00 -2.96 0.00 0.00 64.34 61.52 1fap n VAL 2094Cb 0.35 0.00 0.18 0.00 -1.06 0.00 0.00 33.84 33.31 1fap n VAL 2094CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1fap n LYS 2095N -1.92 0.12 -0.03 1.45 4.01 -1.26 -3.14 118.16 117.39 1fap n LYS 2095Ca 0.00 0.02 -0.17 0.00 -0.51 0.00 0.00 58.31 57.65 1fap n LYS 2095Cb 0.00 -1.56 -0.08 0.00 -0.51 0.00 0.00 35.03 32.88 1fap n LYS 2095CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 1fap h ASP 2096N 0.00 0.81 -0.81 4.39 3.32 -1.87 -2.46 116.42 119.80 1fap h ASP 2096Ca 0.00 -0.63 0.06 0.00 0.02 0.00 0.00 57.03 56.48 1fap h ASP 2096Cb 0.60 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.85 1fap h ASP 2096CO 0.00 1.30 0.50 0.25 -1.72 0.00 0.00 179.24 179.57 1fap h LEU 2097N 0.37 0.78 -0.58 1.55 5.85 -1.75 0.56 115.31 122.09 1fap h LEU 2097Ca -0.04 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.58 1fap h LEU 2097Cb 1.27 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 1fap h LEU 2097CO 0.13 0.50 -0.16 0.71 -0.34 0.00 0.00 178.44 179.28 1fap h THR 2098N 0.91 1.27 0.00 1.05 1.35 -1.58 0.83 112.91 116.75 1fap h THR 2098Ca 0.35 -1.31 -0.03 0.00 -0.55 0.00 0.00 66.41 64.86 1fap h THR 2098Cb 0.15 1.06 -0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1fap h THR 2098CO -0.17 0.46 -0.16 1.56 -0.25 0.00 0.00 175.52 176.96 1fap h GLN 2099N 0.85 0.00 -0.13 4.72 1.08 -0.88 0.13 115.11 120.88 1fap h GLN 2099Ca 0.12 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.23 1fap h GLN 2099Cb 0.72 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.15 1fap h GLN 2099CO 0.06 0.16 -0.27 0.00 -0.95 0.00 0.00 178.83 177.83 1fap h ALA 2100N 1.84 0.20 0.00 3.87 0.00 0.01 -3.29 119.26 121.89 1fap h ALA 2100Ca -0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1fap h ALA 2100Cb 0.37 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1fap h ALA 2100CO 0.02 0.20 0.00 -1.49 0.00 0.00 0.00 179.25 177.98 1fap h TRP 2101N -0.00 0.00 -0.51 0.00 4.06 0.02 -1.11 115.95 118.41 1fap h TRP 2101Ca 0.00 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.93 1fap h TRP 2101Cb 0.86 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.00 1fap h TRP 2101CO 0.10 0.00 0.21 0.22 -3.56 0.00 0.00 178.44 175.42 1fap h ASP 2102N 0.00 0.69 0.33 -3.49 3.58 -0.86 -2.43 116.42 114.24 1fap h ASP 2102Ca 0.00 -0.16 -0.24 0.00 0.42 0.00 0.00 57.03 57.05 1fap h ASP 2102Cb 0.65 -0.18 0.01 0.00 1.72 0.00 0.00 39.33 41.52 1fap h ASP 2102CO 0.00 0.66 -0.99 -0.07 -2.88 0.00 0.00 179.24 175.97 1fap h LEU 2103N 0.68 0.57 -0.62 2.28 3.38 -1.30 -2.52 115.31 117.77 1fap h LEU 2103Ca 0.17 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.65 1fap h LEU 2103Cb 0.18 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1fap h LEU 2103CO -0.02 1.28 0.31 1.88 0.09 0.00 0.00 178.44 181.98 1fap h TYR 2104N 0.23 0.89 -0.89 1.13 0.05 -1.44 -2.17 116.97 114.77 1fap h TYR 2104Ca -0.09 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.65 1fap h TYR 2104Cb 1.63 -0.28 -0.04 0.00 1.01 0.00 0.00 36.73 39.05 1fap h TYR 2104CO 0.07 0.67 0.57 -0.92 -1.05 0.00 0.00 178.16 177.49 1fap h TYR 2105N 0.86 1.15 -0.25 4.88 3.20 -1.37 -0.65 116.97 124.78 1fap h TYR 2105Ca 0.22 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 1fap h TYR 2105Cb 0.11 -0.38 -0.01 0.00 1.54 0.00 0.00 36.73 37.98 1fap h TYR 2105CO -0.00 0.74 0.05 1.25 -1.64 0.00 0.00 178.16 178.56 1fap h HIS 2106N 1.22 0.44 -0.40 -3.82 2.76 -1.00 -0.02 115.15 114.34 1fap h HIS 2106Ca 0.32 -0.06 -0.14 0.00 -2.20 0.00 0.00 60.37 58.30 1fap h HIS 2106Cb -0.10 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 28.73 1fap h HIS 2106CO 0.00 0.52 -0.30 -0.39 -1.30 0.00 0.00 177.93 176.47 1fap h VAL 2107N 0.23 1.28 -0.24 5.26 -1.51 -1.20 -2.55 116.25 117.52 1fap h VAL 2107Ca 0.08 -1.46 0.02 0.00 -1.23 0.00 0.00 66.70 64.11 1fap h VAL 2107Cb 0.32 1.33 -0.03 0.00 -2.13 0.00 0.00 31.29 30.78 1fap h VAL 2107CO 0.00 0.49 0.08 0.15 -1.23 0.00 0.00 177.57 177.07 1fap h PHE 2108N 0.72 0.15 -0.53 5.19 3.04 -1.09 -0.84 116.94 123.58 1fap h PHE 2108Ca 0.08 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.04 1fap h PHE 2108Cb 0.88 -0.03 -0.03 0.00 2.56 0.00 0.00 35.95 39.33 1fap h PHE 2108CO 0.06 0.07 0.35 0.00 -2.02 0.00 0.00 178.31 176.77 1fap h ARG 2109N 0.20 0.70 0.00 1.11 2.47 -0.94 -2.57 114.38 115.34 1fap h ARG 2109Ca 0.10 -0.04 -0.14 0.00 -1.26 0.00 0.00 59.98 58.64 1fap h ARG 2109Cb 0.07 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.21 1fap h ARG 2109CO -0.11 0.47 -0.65 0.00 0.56 0.00 0.00 179.97 180.24 1fap h ARG 2110N 0.72 0.00 -1.17 0.04 2.47 -0.97 -3.30 114.38 112.18 1fap h ARG 2110Ca 0.19 0.00 -0.46 0.00 -1.26 0.00 0.00 59.98 58.46 1fap h ARG 2110Cb -0.08 0.00 -0.22 0.00 -1.65 0.00 0.00 29.97 28.02 1fap h ARG 2110CO -0.04 0.65 0.59 0.44 0.56 0.00 0.00 179.97 182.17 1fap n ILE 2111N -3.40 2.99 -0.53 2.04 -5.35 -0.38 -5.10 119.36 109.63 1fap n ILE 2111Ca 0.00 -1.97 0.00 0.00 -0.27 0.00 0.00 62.75 60.52 1fap n ILE 2111Cb 0.74 -1.02 0.00 0.00 -1.74 0.00 0.00 39.64 37.62 1fap n ILE 2111CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59