#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2avy s ILE 3 N 0.00 3.29 -0.28 -1.44 1.01 -1.26 -4.25 121.20 118.27 2avy s ILE 3 Ca 0.00 -0.39 -0.29 0.00 0.00 0.00 0.00 60.65 59.97 2avy s ILE 3 Cb 0.00 -3.99 0.19 0.00 0.01 0.00 0.00 42.46 38.67 2avy s ILE 3 CO 0.00 -0.56 1.35 -0.75 0.00 0.00 0.00 174.94 174.98 2avy s LYS 4 N 7.58 0.09 0.61 2.79 2.36 -1.26 -5.00 119.74 126.90 2avy s LYS 4 Ca 0.77 0.03 0.24 0.00 -2.55 0.00 0.00 55.97 54.45 2avy s LYS 4 Cb -0.06 0.04 0.89 0.00 -1.05 0.00 0.00 37.83 37.66 2avy s LYS 4 CO 0.10 -0.03 1.35 0.66 1.55 0.00 0.00 175.35 178.99 2avy h SER 5 N 2.18 0.00 0.10 1.43 4.64 -2.04 0.66 113.55 120.52 2avy h SER 5 Ca -0.10 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.21 2avy h SER 5 Cb 1.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2avy h SER 5 CO 0.22 0.00 -0.04 0.00 -0.87 0.00 0.00 176.83 176.14 2avy h ALA 6 N 0.59 1.53 -0.05 5.18 0.00 -1.95 -1.55 119.26 123.02 2avy h ALA 6 Ca 0.39 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.27 2avy h ALA 6 Cb 2.56 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 20.34 2avy h ALA 6 CO -0.00 0.05 0.32 1.57 0.00 0.00 0.00 179.25 181.19 2avy h LYS 7 N 0.00 0.00 0.02 0.00 2.10 0.16 0.62 116.57 119.47 2avy h LYS 7 Ca -0.00 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.32 2avy h LYS 7 Cb 0.10 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.38 2avy h LYS 7 CO 0.01 0.00 -2.00 1.17 -2.00 0.00 0.00 179.45 176.63 2avy n LYS 8 N -3.01 0.67 0.11 0.07 4.81 -0.59 -4.08 118.16 116.14 2avy n LYS 8 Ca -0.01 0.20 0.02 0.00 -0.87 0.00 0.00 58.31 57.65 2avy n LYS 8 Cb 0.38 -1.69 0.38 0.00 0.02 0.00 0.00 35.03 34.12 2avy n LYS 8 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 2avy h ARG 9 N 0.01 0.25 0.63 1.64 9.65 0.14 -2.25 114.38 124.45 2avy h ARG 9 Ca -0.40 -0.06 -0.03 0.00 -1.10 0.00 0.00 59.98 58.39 2avy h ARG 9 Cb 2.07 -0.03 0.01 0.00 -1.39 0.00 0.00 29.97 30.62 2avy h ARG 9 CO 0.05 0.40 -0.30 0.00 2.80 0.00 0.00 179.97 182.92 2avy h ALA 10 N 1.63 -0.85 -0.84 2.80 0.00 -1.20 -2.61 119.26 118.18 2avy h ALA 10 Ca 0.05 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.80 2avy h ALA 10 Cb 0.39 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 2avy h ALA 10 CO 0.02 -0.86 0.55 -0.84 0.00 0.00 0.00 179.25 178.13 2avy h ILE 11 N -1.09 1.09 0.00 0.00 3.07 -1.69 0.32 117.51 119.20 2avy h ILE 11 Ca -0.09 -0.34 -0.00 0.00 1.55 0.00 0.00 64.86 65.99 2avy h ILE 11 Cb 0.70 0.02 -0.00 0.00 -0.27 0.00 0.00 36.82 37.27 2avy h ILE 11 CO 0.14 0.18 -0.01 -0.61 -1.05 0.00 0.00 178.15 176.81 2avy h GLN 12 N 0.98 0.00 0.13 0.16 4.15 -1.36 -2.04 115.11 117.12 2avy h GLN 12 Ca 0.35 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.45 2avy h GLN 12 Cb 0.14 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 2avy h GLN 12 CO -0.12 0.01 -1.67 1.03 -1.93 0.00 0.00 178.83 176.15 2avy h SER 13 N 0.00 0.42 -0.45 -0.69 0.87 -0.05 -3.36 113.55 110.29 2avy h SER 13 Ca -0.00 -0.88 0.09 0.00 -1.23 0.00 0.00 61.79 59.77 2avy h SER 13 Cb 0.02 -0.14 -0.09 0.00 -0.44 0.00 0.00 62.40 61.76 2avy h SER 13 CO 0.00 1.73 -0.13 -0.08 -0.53 0.00 0.00 176.83 177.82 2avy h GLU 14 N -0.14 -0.02 -0.99 2.24 4.22 -0.37 -0.26 114.58 119.26 2avy h GLU 14 Ca -0.36 0.00 0.19 0.00 0.08 0.00 0.00 59.36 59.27 2avy h GLU 14 Cb 1.89 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 31.05 2avy h GLU 14 CO 0.08 -0.01 0.61 0.87 -2.18 0.00 0.00 179.01 178.38 2avy h LYS 15 N -0.02 0.71 -0.89 1.92 1.79 -1.66 0.28 116.57 118.69 2avy h LYS 15 Ca 0.21 -0.04 0.07 0.00 -2.18 0.00 0.00 60.65 58.72 2avy h LYS 15 Cb 0.35 -0.16 -0.06 0.00 -1.58 0.00 0.00 32.23 30.78 2avy h LYS 15 CO -0.47 0.47 0.58 0.00 -1.08 0.00 0.00 179.45 178.95 2avy h ALA 16 N 1.63 1.56 0.86 3.86 0.00 -1.19 -1.33 119.26 124.64 2avy h ALA 16 Ca 0.56 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.41 2avy h ALA 16 Cb 0.91 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.47 2avy h ALA 16 CO -0.34 0.29 -0.41 -0.09 0.00 0.00 0.00 179.25 178.70 2avy h ARG 17 N 0.97 -1.11 -1.03 0.00 1.12 -0.29 1.66 114.38 115.70 2avy h ARG 17 Ca 0.39 0.08 0.30 0.00 -1.11 0.00 0.00 59.98 59.64 2avy h ARG 17 Cb 0.27 0.25 -0.04 0.00 -0.01 0.00 0.00 29.97 30.44 2avy h ARG 17 CO -0.15 -0.74 0.74 0.87 -3.11 0.00 0.00 179.97 177.58 2avy h LYS 18 N -1.27 0.00 0.00 0.20 1.57 -1.13 0.65 116.57 116.59 2avy h LYS 18 Ca -0.12 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 2avy h LYS 18 Cb 0.88 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.19 2avy h LYS 18 CO 0.19 0.00 -0.47 1.25 -0.57 0.00 0.00 179.45 179.85 2avy h HIS 19 N 0.00 0.00 -0.44 -1.35 2.76 -0.93 -3.28 115.15 111.91 2avy h HIS 19 Ca 0.49 0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.75 2avy h HIS 19 Cb 1.97 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 30.85 2avy h HIS 19 CO -0.00 0.21 -0.06 -0.91 -1.30 0.00 0.00 177.93 175.86 2avy h ASN 20 N -1.00 -0.31 0.07 3.26 4.21 0.30 -1.30 115.58 120.81 2avy h ASN 20 Ca -0.04 0.12 0.03 0.00 1.21 0.00 0.00 56.30 57.62 2avy h ASN 20 Cb 0.51 0.23 -0.05 0.00 -1.12 0.00 0.00 38.32 37.90 2avy h ASN 20 CO -0.02 -0.11 -0.36 0.00 -1.29 0.00 0.00 177.43 175.64 2avy h ALA 21 N 1.42 -0.60 -0.38 -0.83 0.00 0.12 1.73 119.26 120.73 2avy h ALA 21 Ca 0.22 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.16 2avy h ALA 21 Cb 0.33 0.62 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 2avy h ALA 21 CO -0.42 -0.90 -0.21 0.77 0.00 0.00 0.00 179.25 178.49 2avy h SER 22 N -0.56 -0.70 -0.52 0.00 0.02 -1.50 0.52 113.55 110.81 2avy h SER 22 Ca 0.04 0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 2avy h SER 22 Cb 0.62 0.37 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 2avy h SER 22 CO -0.25 -0.24 0.20 0.03 -1.14 0.00 0.00 176.83 175.44 2avy h ARG 23 N -0.15 0.78 0.30 3.45 2.47 -0.74 -2.21 114.38 118.29 2avy h ARG 23 Ca 0.19 -0.14 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 2avy h ARG 23 Cb 0.43 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.60 2avy h ARG 23 CO -0.47 0.69 -0.40 -0.09 0.56 0.00 0.00 179.97 180.27 2avy h ARG 24 N 0.71 -0.73 -0.38 0.04 2.43 0.43 -2.61 114.38 114.27 2avy h ARG 24 Ca 0.17 0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.43 2avy h ARG 24 Cb 0.20 0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 2avy h ARG 24 CO -0.01 -0.49 0.17 0.66 -1.51 0.00 0.00 179.97 178.79 2avy h SER 25 N -0.76 0.24 -0.97 -3.80 4.64 -0.01 -2.57 113.55 110.32 2avy h SER 25 Ca -0.01 0.02 0.18 0.00 -0.47 0.00 0.00 61.79 61.51 2avy h SER 25 Cb 0.71 -0.02 -0.09 0.00 -0.31 0.00 0.00 62.40 62.69 2avy h SER 25 CO -0.12 0.18 0.61 -0.03 -0.87 0.00 0.00 176.83 176.60 2avy h MET 26 N 0.36 0.71 0.38 4.77 1.85 -1.25 -2.24 114.93 119.51 2avy h MET 26 Ca 0.16 -0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 59.19 2avy h MET 26 Cb 0.09 -0.16 0.00 0.00 0.43 0.00 0.00 31.60 31.97 2avy h MET 26 CO -0.13 0.47 -0.18 1.98 -0.40 0.00 0.00 176.91 178.65 2avy h MET 27 N 0.73 -0.49 -0.16 0.39 -1.53 -1.07 -2.64 114.93 110.16 2avy h MET 27 Ca 0.53 0.03 0.05 0.00 -3.44 0.00 0.00 59.70 56.87 2avy h MET 27 Cb 0.87 0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 32.02 2avy h MET 27 CO -0.30 -0.27 0.15 0.00 0.14 0.00 0.00 176.91 176.63 2avy h ARG 28 N -0.60 0.00 0.53 0.39 3.08 -1.38 -2.62 114.38 113.78 2avy h ARG 28 Ca -0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2avy h ARG 28 Cb 0.45 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 2avy h ARG 28 CO 0.09 0.00 -0.39 1.15 -1.07 0.00 0.00 179.97 179.74 2avy h THR 29 N 0.00 0.20 -0.92 2.04 2.02 -1.04 -0.98 112.91 114.24 2avy h THR 29 Ca 0.07 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.30 2avy h THR 29 Cb 0.37 0.20 -0.06 0.00 -1.74 0.00 0.00 68.15 66.93 2avy h THR 29 CO -0.00 0.00 0.60 -0.26 0.37 0.00 0.00 175.52 176.23 2avy h PHE 30 N -0.90 1.09 -0.87 3.16 -1.00 -1.46 -1.70 116.94 115.26 2avy h PHE 30 Ca -0.06 0.03 0.03 0.00 2.81 0.00 0.00 57.97 60.78 2avy h PHE 30 Cb 0.76 -0.36 -0.05 0.00 3.61 0.00 0.00 35.95 39.91 2avy h PHE 30 CO -0.15 0.60 0.57 0.82 -1.61 0.00 0.00 178.31 178.54 2avy h ILE 31 N 1.10 1.15 -0.46 -0.55 2.04 -1.24 -2.05 117.51 117.50 2avy h ILE 31 Ca 0.38 -0.37 -0.07 0.00 1.00 0.00 0.00 64.86 65.79 2avy h ILE 31 Cb 0.11 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.13 2avy h ILE 31 CO -0.13 0.20 -0.02 0.11 0.00 0.00 0.00 178.15 178.31 2avy h LYS 32 N 1.09 0.77 -0.07 2.37 1.57 -0.24 -1.66 116.57 120.42 2avy h LYS 32 Ca 0.34 -0.21 0.02 0.00 -1.87 0.00 0.00 60.65 58.93 2avy h LYS 32 Cb 0.01 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 2avy h LYS 32 CO -0.10 0.79 0.05 0.87 -0.57 0.00 0.00 179.45 180.50 2avy h LYS 33 N 0.72 0.00 0.24 3.15 1.57 -1.19 1.21 116.57 122.28 2avy h LYS 33 Ca 0.14 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.59 2avy h LYS 33 Cb 0.46 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.81 2avy h LYS 33 CO 0.02 0.00 -1.46 0.28 -0.57 0.00 0.00 179.45 177.72 2avy h VAL 34 N 0.00 1.29 0.02 0.50 2.07 -1.30 -2.15 116.25 116.68 2avy h VAL 34 Ca 0.03 -2.71 -0.00 0.00 0.82 0.00 0.00 66.70 64.84 2avy h VAL 34 Cb 0.14 3.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 2avy h VAL 34 CO -0.00 0.81 -0.01 0.22 0.02 0.00 0.00 177.57 178.61 2avy h TYR 35 N 0.15 -0.03 -0.75 1.57 3.20 -0.16 -1.86 116.97 119.11 2avy h TYR 35 Ca -0.25 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.58 2avy h TYR 35 Cb 2.15 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 40.40 2avy h TYR 35 CO 0.13 0.28 0.30 0.00 -1.64 0.00 0.00 178.16 177.22 2avy h ALA 36 N 0.64 0.97 -0.75 1.82 0.00 0.13 -2.75 119.26 119.32 2avy h ALA 36 Ca -0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2avy h ALA 36 Cb 0.32 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2avy h ALA 36 CO 0.01 0.60 0.36 0.00 0.00 0.00 0.00 179.25 180.21 2avy h ALA 37 N 1.15 0.96 -0.46 0.00 0.00 -1.36 -1.89 119.26 117.67 2avy h ALA 37 Ca 0.25 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.06 2avy h ALA 37 Cb 0.22 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2avy h ALA 37 CO -0.02 0.52 0.20 0.82 0.00 0.00 0.00 179.25 180.78 2avy h ILE 38 N 1.05 0.92 0.00 0.00 1.08 -1.05 -1.11 117.51 118.40 2avy h ILE 38 Ca 0.26 -0.14 -0.02 0.00 -0.39 0.00 0.00 64.86 64.57 2avy h ILE 38 Cb 0.11 0.47 -0.00 0.00 -3.07 0.00 0.00 36.82 34.33 2avy h ILE 38 CO -0.03 0.07 -0.08 -0.08 -0.69 0.00 0.00 178.15 177.34 2avy h GLU 39 N 0.41 0.00 -1.01 2.37 4.81 -1.25 -2.87 114.58 117.03 2avy h GLU 39 Ca 0.21 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.93 2avy h GLU 39 Cb 0.15 0.00 -0.29 0.00 0.63 0.00 0.00 28.75 29.25 2avy h GLU 39 CO -0.17 0.08 0.65 0.00 -0.73 0.00 0.00 179.01 178.84 2avy n ALA 40 N -2.15 5.54 -3.37 2.92 0.00 -0.44 -4.94 120.51 118.07 2avy n ALA 40 Ca 0.00 -2.80 -0.13 0.00 0.00 0.00 0.00 53.44 50.51 2avy n ALA 40 Cb 0.33 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.29 2avy n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2avy n GLY 41 N -0.99 -0.12 3.08 0.00 0.00 -1.08 -4.83 105.19 101.25 2avy n GLY 41 Ca 0.57 0.08 -0.35 0.00 0.00 0.00 0.00 46.02 46.31 2avy n GLY 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2avy s ASP 42 N -3.81 5.85 0.40 1.61 -1.08 -1.09 -4.92 116.67 113.63 2avy s ASP 42 Ca 0.06 -3.71 0.23 0.00 -0.52 0.00 0.00 52.55 48.60 2avy s ASP 42 Cb -0.03 -1.88 1.27 0.00 -1.46 0.00 0.00 42.92 40.82 2avy s ASP 42 CO 0.35 -0.18 1.66 0.07 0.52 0.00 0.00 175.17 177.59 2avy h LYS 43 N 5.97 0.19 0.12 4.34 2.10 -1.88 0.64 116.57 128.06 2avy h LYS 43 Ca 0.15 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.78 2avy h LYS 43 Cb 0.81 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.10 2avy h LYS 43 CO 0.84 0.13 -0.06 0.00 -2.00 0.00 0.00 179.45 178.36 2avy h ALA 44 N 1.71 -0.16 -0.78 0.07 0.00 -1.98 -3.19 119.26 114.94 2avy h ALA 44 Ca 0.76 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.48 2avy h ALA 44 Cb 2.11 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.91 2avy h ALA 44 CO -0.48 -0.36 0.50 0.00 0.00 0.00 0.00 179.25 178.91 2avy h ALA 45 N 0.14 1.01 -1.07 0.00 0.00 -1.33 -1.10 119.26 116.91 2avy h ALA 45 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2avy h ALA 45 Cb 0.49 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2avy h ALA 45 CO 0.03 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.59 2avy n ALA 46 N -2.33 -0.16 -0.10 0.00 0.00 -0.21 0.97 120.51 118.69 2avy n ALA 46 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.45 2avy n ALA 46 Cb 0.08 0.21 -0.02 0.00 0.00 0.00 0.00 19.45 19.72 2avy n ALA 46 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2avy h GLN 47 N 0.00 -0.25 -0.96 0.00 1.08 -1.57 0.23 115.11 113.65 2avy h GLN 47 Ca 0.00 0.02 0.25 0.00 -1.45 0.00 0.00 58.65 57.47 2avy h GLN 47 Cb 0.00 0.06 -0.13 0.00 -0.05 0.00 0.00 27.48 27.35 2avy h GLN 47 CO 0.00 -0.17 0.49 -0.22 -0.95 0.00 0.00 178.83 177.98 2avy h LYS 48 N -0.26 0.42 0.02 1.46 1.63 -1.01 -0.55 116.57 118.28 2avy h LYS 48 Ca 0.16 -0.03 -0.26 0.00 -0.85 0.00 0.00 60.65 59.68 2avy h LYS 48 Cb 0.52 -0.09 0.02 0.00 -0.60 0.00 0.00 32.23 32.08 2avy h LYS 48 CO -0.50 0.28 -1.05 0.00 -3.45 0.00 0.00 179.45 174.73 2avy h ALA 49 N 1.76 0.18 0.54 5.00 0.00 0.31 -2.48 119.26 124.56 2avy h ALA 49 Ca 0.63 -0.71 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2avy h ALA 49 Cb 1.26 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2avy h ALA 49 CO -0.54 0.73 -0.41 0.35 0.00 0.00 0.00 179.25 179.38 2avy h PHE 50 N 0.33 -1.12 0.00 0.00 3.04 0.93 -0.27 116.94 119.85 2avy h PHE 50 Ca -0.12 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.82 2avy h PHE 50 Cb 1.70 0.42 0.00 0.00 2.56 0.00 0.00 35.95 40.63 2avy h PHE 50 CO 0.09 -0.58 0.00 0.27 -2.02 0.00 0.00 178.31 176.07 2avy n ASN 51 N -4.96 0.00 0.10 0.41 0.23 -0.84 0.51 115.26 110.70 2avy n ASN 51 Ca -0.11 0.02 0.04 0.00 -0.53 0.00 0.00 54.58 54.00 2avy n ASN 51 Cb 0.40 -0.25 -0.01 0.00 -2.08 0.00 0.00 39.78 37.84 2avy n ASN 51 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 2avy h GLU 52 N 0.00 0.00 0.00 -3.83 4.81 -0.62 -3.38 114.58 111.56 2avy h GLU 52 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2avy h GLU 52 Cb 0.11 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 2avy h GLU 52 CO 0.00 0.30 -1.16 0.00 -0.73 0.00 0.00 179.01 177.42 2avy n MET 53 N -3.00 1.15 -0.19 1.92 0.00 -0.38 -4.70 117.12 111.92 2avy n MET 53 Ca -0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 57.70 57.65 2avy n MET 53 Cb 0.73 -1.07 0.10 0.00 0.00 0.00 0.00 33.22 32.98 2avy n MET 53 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 175.97 176.34 2avy h GLN 54 N 0.00 0.26 0.00 3.17 4.15 -0.12 0.80 115.11 123.36 2avy h GLN 54 Ca -0.02 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.38 2avy h GLN 54 Cb 0.46 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.09 2avy h GLN 54 CO 0.00 0.17 0.00 -0.35 -1.93 0.00 0.00 178.83 176.72 2avy n PRO 55 N -5.12 0.45 -0.06 -2.39 -0.04 -1.26 -3.11 135.00 123.47 2avy n PRO 55 Ca 0.08 0.02 -0.13 0.00 -0.04 0.00 0.00 63.50 63.44 2avy n PRO 55 Cb 0.30 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.22 2avy n PRO 55 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2avy n ILE 56 N -1.05 0.68 0.09 0.52 5.41 0.13 -4.40 119.36 120.74 2avy n ILE 56 Ca 0.11 -0.18 0.04 0.00 1.00 0.00 0.00 62.75 63.72 2avy n ILE 56 Cb 0.07 -1.58 0.24 0.00 -0.71 0.00 0.00 39.64 37.66 2avy n ILE 56 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2avy n VAL 57 N -3.47 1.06 -0.08 1.39 0.31 0.23 -0.87 118.33 116.90 2avy n VAL 57 Ca -0.24 0.63 -0.12 0.00 -0.01 0.00 0.00 64.34 64.60 2avy n VAL 57 Cb 0.68 -1.63 -0.15 0.00 -0.91 0.00 0.00 33.84 31.83 2avy n VAL 57 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2avy n ASP 58 N -1.78 0.70 0.00 4.52 8.00 -1.20 -3.88 116.55 122.91 2avy n ASP 58 Ca -0.01 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.57 2avy n ASP 58 Cb 0.19 0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 2avy n ASP 58 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2avy n ARG 59 N -2.96 0.00 0.07 -1.24 0.63 -0.05 -0.89 116.66 112.22 2avy n ARG 59 Ca -0.32 0.43 0.09 0.00 -0.92 0.00 0.00 57.85 57.13 2avy n ARG 59 Cb 1.10 -1.18 0.54 0.00 0.45 0.00 0.00 32.46 33.37 2avy n ARG 59 CO 0.00 0.00 0.00 -0.56 -2.51 0.00 0.00 177.63 174.56 2avy h GLN 60 N 0.00 0.27 0.00 -0.14 -0.00 -1.82 0.37 115.11 113.80 2avy h GLN 60 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.63 2avy h GLN 60 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 27.48 27.42 2avy h GLN 60 CO 0.00 0.18 0.00 0.00 -0.00 0.00 0.00 178.83 179.01 2avy n ALA 61 N -2.52 1.37 0.10 0.06 0.00 -0.94 0.39 120.51 118.97 2avy n ALA 61 Ca 0.03 -0.02 0.02 0.00 0.00 0.00 0.00 53.44 53.47 2avy n ALA 61 Cb 0.20 -1.08 0.03 0.00 0.00 0.00 0.00 19.45 18.60 2avy n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2avy n ALA 62 N -1.33 2.36 -3.04 0.00 0.00 0.13 -4.25 120.51 114.38 2avy n ALA 62 Ca 0.02 -0.70 0.01 0.00 0.00 0.00 0.00 53.44 52.77 2avy n ALA 62 Cb 0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 19.45 19.34 2avy n ALA 62 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2avy s LYS 63 N -0.56 0.63 0.46 0.00 1.02 0.16 -5.07 119.74 116.38 2avy s LYS 63 Ca 0.06 -0.25 0.00 0.00 0.02 0.00 0.00 55.97 55.81 2avy s LYS 63 Cb 0.04 0.07 0.00 0.00 -0.52 0.00 0.00 37.83 37.41 2avy s LYS 63 CO 0.06 -0.90 0.00 0.41 -0.92 0.00 0.00 175.35 174.00 2avy n GLY 64 N 4.07 -2.07 7.00 -3.33 0.00 -1.17 -4.62 105.19 105.07 2avy n GLY 64 Ca 0.10 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.71 2avy n GLY 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2avy n LEU 65 N 0.00 0.00 -4.73 0.99 4.77 -1.26 -4.26 117.00 112.51 2avy n LEU 65 Ca 0.00 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.62 2avy n LEU 65 Cb 0.10 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.26 2avy n LEU 65 CO 0.00 0.00 0.86 -0.63 -1.33 0.00 0.00 177.39 176.30 2avy s ILE 66 N 0.00 2.20 0.25 -0.08 1.09 -1.26 -4.96 121.20 118.43 2avy s ILE 66 Ca 0.00 0.12 -0.20 0.00 -1.10 0.00 0.00 60.65 59.46 2avy s ILE 66 Cb 0.00 -2.94 0.07 0.00 -1.06 0.00 0.00 42.46 38.53 2avy s ILE 66 CO 0.00 -0.03 0.97 -1.00 -0.10 0.00 0.00 174.94 174.77 2avy s HIS 67 N -1.59 0.09 0.00 3.97 3.76 -1.26 -3.24 115.29 117.01 2avy s HIS 67 Ca 0.79 -0.58 0.00 0.00 -0.15 0.00 0.00 55.06 55.13 2avy s HIS 67 Cb -0.34 0.74 0.00 0.00 1.11 0.00 0.00 32.58 34.09 2avy s HIS 67 CO 0.40 -1.12 0.00 1.17 -0.85 0.00 0.00 174.74 174.34 2avy n LYS 68 N -0.66 0.00 0.24 1.40 3.00 -1.26 -3.71 118.16 117.18 2avy n LYS 68 Ca -0.04 0.00 0.17 0.00 -0.00 0.00 0.00 58.31 58.44 2avy n LYS 68 Cb 0.60 0.00 0.79 0.00 0.00 0.00 0.00 35.03 36.41 2avy n LYS 68 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 2avy h ASN 69 N 0.00 0.00 0.00 3.14 2.35 -2.01 -2.76 115.58 116.30 2avy h ASN 69 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2avy h ASN 69 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2avy h ASN 69 CO 0.00 0.00 0.06 0.07 -1.65 0.00 0.00 177.43 175.91 2avy h LYS 70 N 0.00 0.00 0.00 0.81 2.10 -2.02 0.24 116.57 117.69 2avy h LYS 70 Ca 0.07 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.60 2avy h LYS 70 Cb 0.82 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.13 2avy h LYS 70 CO -0.00 0.00 -0.94 0.00 -2.00 0.00 0.00 179.45 176.51 2avy h ALA 71 N 1.87 0.65 0.04 0.07 0.00 -1.70 -3.32 119.26 116.89 2avy h ALA 71 Ca 0.00 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.31 2avy h ALA 71 Cb 0.11 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2avy h ALA 71 CO 0.00 0.71 -0.02 0.00 0.00 0.00 0.00 179.25 179.94 2avy h ALA 72 N 1.50 -0.06 -0.61 0.00 0.00 -0.73 -3.06 119.26 116.30 2avy h ALA 72 Ca -0.07 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.80 2avy h ALA 72 Cb 1.45 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.20 2avy h ALA 72 CO 0.05 -0.43 0.29 0.07 0.00 0.00 0.00 179.25 179.23 2avy h ARG 73 N -0.27 0.51 -1.37 0.00 0.11 -1.67 0.31 114.38 112.00 2avy h ARG 73 Ca -0.01 -0.03 0.40 0.00 0.10 0.00 0.00 59.98 60.44 2avy h ARG 73 Cb 0.24 -0.11 -0.06 0.00 1.11 0.00 0.00 29.97 31.15 2avy h ARG 73 CO 0.01 0.34 0.98 0.45 0.10 0.00 0.00 179.97 181.85 2avy h HIS 74 N 0.53 0.04 0.03 4.08 3.86 -1.62 0.62 115.15 122.67 2avy h HIS 74 Ca 0.29 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 59.19 2avy h HIS 74 Cb 0.27 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 28.69 2avy h HIS 74 CO -0.12 -0.00 -1.70 1.63 0.86 0.00 0.00 177.93 178.60 2avy n LYS 75 N -4.15 0.62 0.17 2.45 5.02 0.11 -3.91 118.16 118.46 2avy n LYS 75 Ca 0.30 0.44 -0.07 0.00 -2.02 0.00 0.00 58.31 56.96 2avy n LYS 75 Cb 1.42 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 34.71 2avy n LYS 75 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2avy h ALA 76 N -0.43 -1.04 -0.55 7.82 0.00 0.23 0.24 119.26 125.53 2avy h ALA 76 Ca -0.44 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 54.54 2avy h ALA 76 Cb 1.55 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 2avy h ALA 76 CO -0.18 -1.01 0.45 -2.95 0.00 0.00 0.00 179.25 175.56 2avy h ASN 77 N -0.46 0.00 0.46 0.00 7.08 -0.16 -0.19 115.58 122.31 2avy h ASN 77 Ca -0.04 0.00 -0.31 0.00 -3.08 0.00 0.00 56.30 52.87 2avy h ASN 77 Cb 0.33 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.58 2avy h ASN 77 CO 0.07 0.00 -1.41 -0.07 -2.08 0.00 0.00 177.43 173.94 2avy h LEU 78 N 0.00 0.55 -1.33 6.14 3.38 -1.60 -3.24 115.31 119.21 2avy h LEU 78 Ca 0.26 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2avy h LEU 78 Cb 1.16 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2avy h LEU 78 CO -0.00 1.51 0.00 0.74 0.09 0.00 0.00 178.44 180.78 2avy h THR 79 N 0.10 0.00 0.17 0.22 2.02 0.13 -2.24 112.91 113.31 2avy h THR 79 Ca -0.21 -0.19 -0.30 0.00 0.77 0.00 0.00 66.41 66.49 2avy h THR 79 Cb 2.05 0.93 0.02 0.00 -1.74 0.00 0.00 68.15 69.41 2avy h THR 79 CO 0.21 0.00 -1.33 0.00 0.37 0.00 0.00 175.52 174.77 2avy h ALA 80 N 2.11 0.01 -0.11 6.16 0.00 -1.47 -2.82 119.26 123.13 2avy h ALA 80 Ca 0.00 -0.88 -0.13 0.00 0.00 0.00 0.00 54.91 53.90 2avy h ALA 80 Cb 0.24 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2avy h ALA 80 CO 0.00 0.88 -0.49 1.96 0.00 0.00 0.00 179.25 181.60 2avy h GLN 81 N 0.10 0.28 0.05 0.00 4.20 -1.48 -1.34 115.11 116.93 2avy h GLN 81 Ca -0.18 -0.16 -0.26 0.00 0.06 0.00 0.00 58.65 58.12 2avy h GLN 81 Cb 2.04 0.01 0.01 0.00 0.30 0.00 0.00 27.48 29.85 2avy h GLN 81 CO 0.23 0.71 -1.08 -0.84 -0.67 0.00 0.00 178.83 177.18 2avy h ILE 82 N 0.23 1.38 0.00 2.54 3.07 -1.61 -2.88 117.51 120.24 2avy h ILE 82 Ca 0.01 -2.54 0.00 0.00 1.55 0.00 0.00 64.86 63.88 2avy h ILE 82 Cb 0.95 2.58 0.00 0.00 -0.27 0.00 0.00 36.82 40.07 2avy h ILE 82 CO 0.08 0.76 0.00 0.78 -1.05 0.00 0.00 178.15 178.72 2avy h ASN 83 N 0.23 0.00 -1.17 2.16 2.35 -1.44 -0.32 115.58 117.38 2avy h ASN 83 Ca -0.12 0.00 -0.59 0.00 -0.55 0.00 0.00 56.30 55.04 2avy h ASN 83 Cb 1.75 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 39.71 2avy h ASN 83 CO 0.19 0.00 -0.58 0.29 -1.65 0.00 0.00 177.43 175.68 2avy n LYS 84 N -2.75 3.44 0.00 0.81 5.02 -0.51 -4.52 118.16 119.64 2avy n LYS 84 Ca 0.03 -4.24 0.00 0.00 -2.02 0.00 0.00 58.31 52.08 2avy n LYS 84 Cb 0.38 -2.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.13 2avy n LYS 84 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2avy n LEU 85 N -0.61 0.00 0.00 -0.35 0.00 -1.10 -4.88 117.00 110.06 2avy n LEU 85 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.44 2avy n LEU 85 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 43.42 44.20 2avy n LEU 85 CO 0.40 0.00 0.00 0.00 0.00 0.00 0.00 177.39 177.79