#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2avy n LYS 2 N 0.00 -3.09 0.04 0.00 4.76 -1.26 -3.77 118.16 114.83 2avy n LYS 2 Ca 0.00 2.46 -0.22 0.00 -2.87 0.00 0.00 58.31 57.68 2avy n LYS 2 Cb 0.00 -3.28 -0.14 0.00 -1.84 0.00 0.00 35.03 29.76 2avy n LYS 2 CO 0.00 0.00 0.00 0.37 -1.37 0.00 0.00 177.40 176.40 2avy h GLN 3 N -0.53 0.32 0.04 1.97 5.75 -2.01 -3.16 115.11 117.49 2avy h GLN 3 Ca -0.09 -0.55 -0.00 0.00 -0.15 0.00 0.00 58.65 57.86 2avy h GLN 3 Cb 0.98 0.21 0.00 0.00 1.07 0.00 0.00 27.48 29.74 2avy h GLN 3 CO 0.03 1.27 -0.02 0.66 -2.65 0.00 0.00 178.83 178.12 2avy h SER 4 N 0.08 -0.05 0.03 -0.69 4.64 -2.00 -2.94 113.55 112.62 2avy h SER 4 Ca -0.39 -0.07 0.01 0.00 -0.47 0.00 0.00 61.79 60.87 2avy h SER 4 Cb 2.06 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 64.15 2avy h SER 4 CO 0.13 0.04 -0.10 0.24 -0.87 0.00 0.00 176.83 176.27 2avy h MET 5 N -0.13 -0.17 0.00 4.77 2.86 -1.77 -1.20 114.93 119.28 2avy h MET 5 Ca -0.01 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2avy h MET 5 Cb 0.12 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.81 2avy h MET 5 CO 0.01 -0.12 0.00 1.17 1.06 0.00 0.00 176.91 179.03 2avy n LYS 6 N -5.22 0.07 -0.09 1.72 4.81 -1.18 -2.08 118.16 116.20 2avy n LYS 6 Ca -0.06 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.21 2avy n LYS 6 Cb 0.14 -1.41 -0.07 0.00 0.02 0.00 0.00 35.03 33.71 2avy n LYS 6 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2avy n ALA 7 N -0.91 1.77 -0.12 3.14 0.00 -0.50 -4.47 120.51 119.42 2avy n ALA 7 Ca 0.01 -0.72 -0.06 0.00 0.00 0.00 0.00 53.44 52.68 2avy n ALA 7 Cb 0.01 0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.67 2avy n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2avy h ARG 8 N -0.41 -0.17 -0.55 0.00 3.08 -0.94 -0.79 114.38 114.59 2avy h ARG 8 Ca -0.43 0.01 0.11 0.00 0.07 0.00 0.00 59.98 59.74 2avy h ARG 8 Cb 1.47 0.04 -0.11 0.00 0.08 0.00 0.00 29.97 31.44 2avy h ARG 8 CO -0.20 -0.12 -0.27 1.49 -1.07 0.00 0.00 179.97 179.80 2avy h GLU 9 N -0.18 -0.13 -0.82 0.04 4.57 -1.82 0.17 114.58 116.41 2avy h GLU 9 Ca 0.19 0.01 0.17 0.00 -1.18 0.00 0.00 59.36 58.55 2avy h GLU 9 Cb 0.48 0.03 -0.15 0.00 -0.16 0.00 0.00 28.75 28.94 2avy h GLU 9 CO -0.51 -0.09 -0.18 0.28 -1.18 0.00 0.00 179.01 177.34 2avy h VAL 10 N -0.13 0.19 -0.22 0.32 2.07 -1.37 0.53 116.25 117.64 2avy h VAL 10 Ca 0.24 -0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.67 2avy h VAL 10 Cb 0.52 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2avy h VAL 10 CO -0.63 0.00 -0.19 0.11 0.02 0.00 0.00 177.57 176.87 2avy h LYS 11 N 0.01 0.52 0.00 1.57 1.79 -0.65 -2.81 116.57 117.00 2avy h LYS 11 Ca 0.40 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 2avy h LYS 11 Cb 0.63 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 2avy h LYS 11 CO -0.83 0.84 0.46 0.00 -1.08 0.00 0.00 179.45 178.84 2avy h ARG 12 N 0.21 0.00 0.00 3.15 3.08 0.15 -0.38 114.38 120.59 2avy h ARG 12 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2avy h ARG 12 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.78 2avy h ARG 12 CO 0.05 0.00 -0.01 0.28 -1.07 0.00 0.00 179.97 179.22 2avy h VAL 13 N 0.00 0.00 -0.22 2.04 2.07 -1.07 -3.09 116.25 115.98 2avy h VAL 13 Ca 0.00 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 66.84 2avy h VAL 13 Cb 0.91 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 2avy h VAL 13 CO 0.00 0.00 -0.17 0.00 0.02 0.00 0.00 177.57 177.42 2avy h ALA 14 N -1.30 -0.29 -0.78 1.67 0.00 -1.04 -1.54 119.26 115.98 2avy h ALA 14 Ca 0.00 0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.04 2avy h ALA 14 Cb 0.01 0.99 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 2avy h ALA 14 CO 0.00 -0.39 0.39 1.37 0.00 0.00 0.00 179.25 180.62 2avy h LEU 15 N -0.05 0.50 0.00 0.00 8.10 -1.62 0.33 115.31 122.56 2avy h LEU 15 Ca 0.04 0.07 0.00 0.00 0.11 0.00 0.00 57.88 58.10 2avy h LEU 15 Cb 0.15 -0.01 0.00 0.00 -0.44 0.00 0.00 40.66 40.36 2avy h LEU 15 CO -0.23 0.25 0.00 0.00 -4.11 0.00 0.00 178.44 174.35 2avy n ALA 16 N -2.42 1.93 0.04 0.17 0.00 -0.63 -2.46 120.51 117.14 2avy n ALA 16 Ca 0.14 -0.03 -0.00 0.00 0.00 0.00 0.00 53.44 53.55 2avy n ALA 16 Cb 0.34 -1.07 -0.00 0.00 0.00 0.00 0.00 19.45 18.72 2avy n ALA 16 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2avy n ASP 17 N -0.66 1.10 0.27 0.00 8.00 0.95 -2.45 116.55 123.75 2avy n ASP 17 Ca 0.03 0.14 0.14 0.00 0.71 0.00 0.00 54.79 55.81 2avy n ASP 17 Cb 0.01 -0.34 0.64 0.00 -0.02 0.00 0.00 41.12 41.41 2avy n ASP 17 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2avy h LYS 18 N -0.04 0.00 0.00 -1.24 1.79 -0.99 -3.28 116.57 112.82 2avy h LYS 18 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2avy h LYS 18 Cb 0.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 2avy h LYS 18 CO -0.00 0.00 0.00 0.66 -1.08 0.00 0.00 179.45 179.03 2avy n TYR 19 N -2.98 0.00 -0.15 -1.35 4.02 -1.03 -4.77 117.16 110.91 2avy n TYR 19 Ca 0.01 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.87 2avy n TYR 19 Cb 0.59 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.88 2avy n TYR 19 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 2avy n PHE 20 N 0.00 -0.15 -0.61 -0.72 3.01 -1.26 0.11 117.46 117.84 2avy n PHE 20 Ca 0.00 0.44 0.46 0.00 1.01 0.00 0.00 57.45 59.36 2avy n PHE 20 Cb 0.00 -0.53 0.71 0.00 -0.01 0.00 0.00 39.48 39.65 2avy n PHE 20 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2avy n ALA 21 N -3.74 1.63 0.00 4.37 0.00 -1.03 -1.41 120.51 120.34 2avy n ALA 21 Ca 0.01 0.57 0.00 0.00 0.00 0.00 0.00 53.44 54.02 2avy n ALA 21 Cb 0.09 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.56 2avy n ALA 21 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2avy n LYS 22 N -3.69 1.89 0.07 0.00 4.81 0.26 -4.85 118.16 116.65 2avy n LYS 22 Ca 0.39 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.61 2avy n LYS 22 Cb 1.74 -0.59 -0.15 0.00 0.02 0.00 0.00 35.03 36.05 2avy n LYS 22 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 2avy h ARG 23 N 0.00 0.37 -0.35 1.64 2.43 0.10 -3.31 114.38 115.26 2avy h ARG 23 Ca 0.00 -0.63 0.07 0.00 -0.81 0.00 0.00 59.98 58.61 2avy h ARG 23 Cb 0.13 0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 2avy h ARG 23 CO 0.00 1.28 0.24 0.00 -1.51 0.00 0.00 179.97 179.98 2avy h ALA 24 N 0.18 2.12 -1.00 2.80 0.00 -1.33 0.03 119.26 122.07 2avy h ALA 24 Ca -0.33 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 54.78 2avy h ALA 24 Cb 2.09 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 19.75 2avy h ALA 24 CO 0.17 -0.20 0.62 0.93 0.00 0.00 0.00 179.25 180.78 2avy h GLU 25 N 0.16 0.61 0.59 0.00 5.08 -1.65 0.19 114.58 119.56 2avy h GLU 25 Ca 0.16 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 2avy h GLU 25 Cb 0.42 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.54 2avy h GLU 25 CO -0.02 0.40 -0.28 1.25 -1.00 0.00 0.00 179.01 179.36 2avy h LEU 26 N 0.63 -0.67 -1.29 1.33 6.46 -1.16 -2.72 115.31 117.89 2avy h LEU 26 Ca 0.58 0.02 -0.04 0.00 -0.12 0.00 0.00 57.88 58.32 2avy h LEU 26 Cb 1.09 0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 41.19 2avy h LEU 26 CO -0.36 -0.48 -0.20 0.07 -0.62 0.00 0.00 178.44 176.85 2avy h LYS 27 N -0.79 0.00 0.00 1.25 5.09 -1.44 -2.46 116.57 118.22 2avy h LYS 27 Ca -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.65 2avy h LYS 27 Cb 0.61 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.94 2avy h LYS 27 CO 0.13 0.20 -0.03 0.00 -2.09 0.00 0.00 179.45 177.67 2avy h ALA 28 N 1.80 1.21 0.27 0.07 0.00 -0.34 0.11 119.26 122.38 2avy h ALA 28 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2avy h ALA 28 Cb 0.66 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2avy h ALA 28 CO 0.03 0.03 -0.13 0.82 0.00 0.00 0.00 179.25 180.00 2avy h ILE 29 N 0.00 0.00 -0.34 0.00 2.04 -1.28 -3.27 117.51 114.66 2avy h ILE 29 Ca -0.00 -0.61 0.01 0.00 1.00 0.00 0.00 64.86 65.26 2avy h ILE 29 Cb 0.13 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.19 2avy h ILE 29 CO 0.00 0.00 0.20 0.40 0.00 0.00 0.00 178.15 178.75 2avy h ILE 30 N -0.97 1.04 0.00 -0.67 5.03 -1.60 -1.65 117.51 118.68 2avy h ILE 30 Ca -0.04 -0.14 0.00 0.00 -0.12 0.00 0.00 64.86 64.56 2avy h ILE 30 Cb 0.28 0.60 0.00 0.00 -3.03 0.00 0.00 36.82 34.66 2avy h ILE 30 CO 0.06 0.07 0.00 -1.20 -0.68 0.00 0.00 178.15 176.40 2avy n SER 31 N -4.90 1.23 -3.64 1.72 7.64 0.36 0.32 113.62 116.36 2avy n SER 31 Ca -0.00 -1.02 -0.16 0.00 1.01 0.00 0.00 58.87 58.70 2avy n SER 31 Cb 0.05 -0.26 -0.07 0.00 -1.01 0.00 0.00 64.21 62.92 2avy n SER 31 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2avy s ASP 32 N 0.56 -0.45 -0.63 6.43 2.15 -0.62 -4.91 116.67 119.19 2avy s ASP 32 Ca 0.00 0.49 -0.26 0.00 0.43 0.00 0.00 52.55 53.21 2avy s ASP 32 Cb 0.00 0.49 -0.11 0.00 -0.30 0.00 0.00 42.92 43.01 2avy s ASP 32 CO 0.00 -0.50 2.43 0.52 -0.17 0.00 0.00 175.17 177.44 2avy n VAL 33 N 1.23 -0.05 -2.26 1.11 0.31 -1.26 -4.50 118.33 112.90 2avy n VAL 33 Ca -0.20 -0.66 0.05 0.00 -0.01 0.00 0.00 64.34 63.52 2avy n VAL 33 Cb 0.56 -2.34 0.07 0.00 -0.91 0.00 0.00 33.84 31.22 2avy n VAL 33 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2avy n ASN 34 N 16.24 1.19 -1.12 4.52 4.13 -1.26 -5.12 115.26 133.84 2avy n ASN 34 Ca 0.43 -2.51 0.00 0.00 1.68 0.00 0.00 54.58 54.18 2avy n ASN 34 Cb 0.47 -0.36 0.00 0.00 -1.54 0.00 0.00 39.78 38.35 2avy n ASN 34 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2avy n ALA 35 N 0.06 2.35 0.00 5.41 0.00 -1.26 -5.07 120.51 122.01 2avy n ALA 35 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2avy n ALA 35 Cb 1.02 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 19.42 2avy n ALA 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2avy n ARG 40 N 0.85 0.00 -1.68 0.00 5.12 0.15 -5.32 116.66 115.77 2avy n ARG 40 Ca 0.00 0.00 -0.58 0.00 -1.93 0.00 0.00 57.85 55.34 2avy n ARG 40 Cb 0.34 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.56 2avy n ARG 40 CO 0.00 0.00 0.00 0.91 -1.93 0.00 0.00 177.63 176.61 2avy n TRP 41 N 0.00 1.84 -0.13 -1.55 5.03 -1.26 -4.82 117.44 116.55 2avy n TRP 41 Ca 0.00 0.66 -0.04 0.00 3.03 0.00 0.00 57.50 61.15 2avy n TRP 41 Cb 0.00 -2.39 0.02 0.00 -1.03 0.00 0.00 31.31 27.92 2avy n TRP 41 CO 0.00 0.00 0.00 -0.91 -0.03 0.00 0.00 177.69 176.75 2avy h ASN 42 N 6.18 -0.39 -0.66 -0.99 2.35 -1.98 -0.38 115.58 119.70 2avy h ASN 42 Ca -0.47 0.13 0.14 0.00 -0.55 0.00 0.00 56.30 55.55 2avy h ASN 42 Cb 1.33 0.26 -0.10 0.00 0.05 0.00 0.00 38.32 39.86 2avy h ASN 42 CO 0.91 -0.14 0.09 0.00 -1.65 0.00 0.00 177.43 176.64 2avy h ALA 43 N 1.43 0.76 -0.59 -0.83 0.00 -1.98 0.55 119.26 118.59 2avy h ALA 43 Ca 0.21 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 2avy h ALA 43 Cb 0.31 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2avy h ALA 43 CO -0.44 -0.36 0.19 0.28 0.00 0.00 0.00 179.25 178.92 2avy h VAL 44 N 0.20 1.23 -0.27 0.00 2.07 -1.53 0.63 116.25 118.57 2avy h VAL 44 Ca 0.36 -0.77 -0.11 0.00 0.82 0.00 0.00 66.70 67.00 2avy h VAL 44 Cb 0.59 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 2avy h VAL 44 CO -0.51 0.30 -0.28 0.25 0.02 0.00 0.00 177.57 177.35 2avy h LEU 45 N 0.87 0.56 -0.01 2.57 6.46 0.97 -2.44 115.31 124.29 2avy h LEU 45 Ca 0.20 -0.21 -0.21 0.00 -0.12 0.00 0.00 57.88 57.54 2avy h LEU 45 Cb 0.25 -0.15 0.02 0.00 -0.73 0.00 0.00 40.66 40.04 2avy h LEU 45 CO -0.01 0.82 -0.81 0.11 -0.62 0.00 0.00 178.44 177.94 2avy h LYS 46 N 0.48 0.56 -0.00 1.25 1.57 0.64 -3.08 116.57 117.99 2avy h LYS 46 Ca 0.06 -0.59 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 2avy h LYS 46 Cb 0.74 0.17 -0.00 0.00 0.08 0.00 0.00 32.23 33.21 2avy h LYS 46 CO 0.06 1.21 0.00 1.25 -0.57 0.00 0.00 179.45 181.40 2avy h LEU 47 N 0.15 0.00 -2.64 2.94 5.85 0.36 -1.37 115.31 120.60 2avy h LEU 47 Ca -0.10 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.63 2avy h LEU 47 Cb 1.49 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.52 2avy h LEU 47 CO 0.16 0.00 0.08 -0.61 -0.34 0.00 0.00 178.44 177.73 2avy h GLN 48 N 0.00 0.00 -0.36 1.25 5.75 -1.34 -1.85 115.11 118.55 2avy h GLN 48 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2avy h GLN 48 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 2avy h GLN 48 CO -0.00 0.00 0.00 2.41 -2.65 0.00 0.00 178.83 178.59 2avy n THR 49 N -3.30 0.48 -0.32 2.39 -1.04 -0.51 -4.41 114.28 107.57 2avy n THR 49 Ca -0.02 -0.53 0.10 0.00 -2.04 0.00 0.00 64.05 61.56 2avy n THR 49 Cb 0.16 0.35 0.31 0.00 -1.82 0.00 0.00 70.33 69.33 2avy n THR 49 CO 0.00 0.00 0.00 0.17 -0.64 0.00 0.00 175.07 174.60 2avy h LEU 50 N 2.55 0.78 0.00 -4.42 -0.00 -1.54 -3.42 115.31 109.26 2avy h LEU 50 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 2avy h LEU 50 Cb 0.58 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.13 2avy h LEU 50 CO 0.00 0.39 0.00 -0.81 -0.00 0.00 0.00 178.44 178.02 2avy n PRO 51 N -4.60 0.59 0.00 0.17 -0.04 -1.26 -5.09 135.00 124.77 2avy n PRO 51 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 2avy n PRO 51 Cb 0.43 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 2avy n PRO 51 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2avy n ARG 52 N 0.00 0.00 0.32 0.54 3.00 -1.26 -4.90 116.66 114.36 2avy n ARG 52 Ca 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 57.85 58.05 2avy n ARG 52 Cb 0.00 0.00 1.10 0.00 0.00 0.00 0.00 32.46 33.56 2avy n ARG 52 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 2avy h ASP 53 N 0.00 0.00 -0.63 6.15 5.19 -1.98 -3.35 116.42 121.81 2avy h ASP 53 Ca 0.00 0.00 -0.39 0.00 -0.62 0.00 0.00 57.03 56.02 2avy h ASP 53 Cb 0.00 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.46 2avy h ASP 53 CO 0.00 0.00 1.19 -0.55 -3.12 0.00 0.00 179.24 176.76 2avy s SER 54 N -5.38 5.42 -0.27 6.45 0.15 -1.26 -4.58 113.70 114.23 2avy s SER 54 Ca -0.05 -1.54 -0.24 0.00 0.70 0.00 0.00 55.95 54.82 2avy s SER 54 Cb 0.13 -2.58 0.07 0.00 -1.71 0.00 0.00 66.02 61.93 2avy s SER 54 CO 0.44 -2.62 0.72 -0.44 1.20 0.00 0.00 173.24 172.54 2avy s SER 55 N 6.42 -0.77 0.00 5.45 0.01 -1.26 -4.81 113.70 118.75 2avy s SER 55 Ca 0.65 1.45 0.29 0.00 1.31 0.00 0.00 55.95 59.65 2avy s SER 55 Cb -0.01 1.46 1.71 0.00 0.21 0.00 0.00 66.02 69.39 2avy s SER 55 CO 0.08 -0.25 2.09 -0.81 0.41 0.00 0.00 173.24 174.75 2avy n PRO 56 N 2.83 0.97 -0.00 12.44 -0.04 -1.26 -3.01 135.00 146.93 2avy n PRO 56 Ca -0.15 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.39 2avy n PRO 56 Cb 0.55 -1.46 -0.09 0.00 -0.04 0.00 0.00 33.50 32.46 2avy n PRO 56 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2avy n SER 57 N -0.96 0.74 -1.02 3.54 7.64 -1.26 -4.40 113.62 117.90 2avy n SER 57 Ca 0.22 -0.87 0.04 0.00 1.01 0.00 0.00 58.87 59.26 2avy n SER 57 Cb 0.10 1.00 0.18 0.00 -1.01 0.00 0.00 64.21 64.48 2avy n SER 57 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2avy n ARG 58 N -1.37 2.57 -4.41 1.43 1.74 -1.16 -4.83 116.66 110.61 2avy n ARG 58 Ca 0.03 -1.40 -0.34 0.00 -0.77 0.00 0.00 57.85 55.37 2avy n ARG 58 Cb 0.25 -1.72 -0.13 0.00 -1.02 0.00 0.00 32.46 29.84 2avy n ARG 58 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2avy s GLN 59 N -1.75 3.53 -0.39 5.56 1.11 -1.26 -5.00 119.66 121.47 2avy s GLN 59 Ca 0.25 -0.59 0.06 0.00 0.01 0.00 0.00 55.36 55.09 2avy s GLN 59 Cb 0.17 -2.86 0.51 0.00 -1.01 0.00 0.00 33.01 29.83 2avy s GLN 59 CO 0.09 0.14 1.58 2.89 0.01 0.00 0.00 175.29 180.01 2avy n ARG 60 N 3.79 2.39 0.00 2.91 0.00 -1.26 -5.02 116.66 119.47 2avy n ARG 60 Ca -0.18 -3.38 0.00 0.00 -0.00 0.00 0.00 57.85 54.30 2avy n ARG 60 Cb 0.52 -2.04 0.00 0.00 -0.00 0.00 0.00 32.46 30.94 2avy n ARG 60 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2avy n ASN 61 N -1.01 0.00 -0.24 2.89 4.13 -1.26 -4.76 115.26 115.01 2avy n ASN 61 Ca 0.45 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.71 2avy n ASN 61 Cb 1.04 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 39.28 2avy n ASN 61 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2avy n ARG 62 N 0.00 -0.68 -1.63 3.52 1.74 -1.26 -4.86 116.66 113.50 2avy n ARG 62 Ca 0.00 0.50 -0.51 0.00 -0.77 0.00 0.00 57.85 57.07 2avy n ARG 62 Cb 0.00 -0.57 -0.06 0.00 -1.02 0.00 0.00 32.46 30.81 2avy n ARG 62 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2avy h ARG 64 N 5.47 0.00 0.00 0.00 2.43 -1.14 -2.18 114.38 118.96 2avy h ARG 64 Ca -0.47 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 2avy h ARG 64 Cb 1.31 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 2avy h ARG 64 CO 0.84 0.00 -0.46 0.94 -1.51 0.00 0.00 179.97 179.78 2avy n GLN 65 N -3.04 0.35 -0.07 0.20 -0.06 -1.26 -4.89 117.38 108.61 2avy n GLN 65 Ca -0.00 0.38 -0.07 0.00 -2.00 0.00 0.00 57.00 55.32 2avy n GLN 65 Cb 0.25 -1.38 -0.02 0.00 -4.06 0.00 0.00 30.24 25.03 2avy n GLN 65 CO 0.00 0.00 0.00 -2.37 -0.20 0.00 0.00 177.06 174.49 2avy n THR 66 N -3.98 1.21 0.00 1.69 5.66 -1.24 -5.06 114.28 112.56 2avy n THR 66 Ca -0.06 0.22 0.00 0.00 -3.05 0.00 0.00 64.05 61.15 2avy n THR 66 Cb 0.24 -2.20 0.00 0.00 -1.55 0.00 0.00 70.33 66.82 2avy n THR 66 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2avy n GLY 67 N 1.50 0.66 3.40 1.09 0.00 -0.82 -4.86 105.19 106.16 2avy n GLY 67 Ca -0.10 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.40 2avy n GLY 67 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2avy n ARG 68 N 0.00 0.66 0.23 1.61 0.63 -1.26 -1.95 116.66 116.57 2avy n ARG 68 Ca 0.00 0.16 0.16 0.00 -0.92 0.00 0.00 57.85 57.25 2avy n ARG 68 Cb 0.00 -2.15 0.68 0.00 0.45 0.00 0.00 32.46 31.43 2avy n ARG 68 CO 0.00 0.00 0.00 -1.00 -2.51 0.00 0.00 177.63 174.12 2avy h PRO 69 N 11.86 0.00 -5.71 -0.14 0.13 -1.89 -2.35 132.00 133.90 2avy h PRO 69 Ca -0.20 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.32 2avy h PRO 69 Cb 1.34 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.37 2avy h PRO 69 CO 1.09 0.00 0.34 -1.01 -0.23 0.00 0.00 178.00 178.18 2avy s HIS 70 N -3.60 3.19 0.00 1.56 3.76 -1.26 -4.01 115.29 114.93 2avy s HIS 70 Ca 0.01 0.73 0.00 0.00 -0.15 0.00 0.00 55.06 55.65 2avy s HIS 70 Cb 0.09 -3.19 0.00 0.00 1.11 0.00 0.00 32.58 30.59 2avy s HIS 70 CO 0.46 -0.57 0.00 0.41 -0.85 0.00 0.00 174.74 174.19 2avy n GLY 71 N 4.29 1.40 3.87 -2.22 0.00 -1.26 -4.60 105.19 106.67 2avy n GLY 71 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 2avy n GLY 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2avy s PHE 72 N -2.00 3.50 -0.31 1.61 2.19 -1.26 -1.86 117.98 119.85 2avy s PHE 72 Ca 0.00 1.21 0.04 0.00 0.33 0.00 0.00 56.93 58.51 2avy s PHE 72 Cb 0.00 -2.60 0.18 0.00 -1.31 0.00 0.00 43.02 39.29 2avy s PHE 72 CO 0.00 -0.31 0.50 -0.51 1.83 0.00 0.00 175.22 176.73 2avy s LEU 73 N -4.24 -1.15 0.39 6.12 1.02 -1.21 -4.98 118.68 114.63 2avy s LEU 73 Ca 0.54 -0.31 0.34 0.00 0.02 0.00 0.00 54.13 54.72 2avy s LEU 73 Cb -0.10 1.53 1.26 0.00 0.02 0.00 0.00 46.19 48.90 2avy s LEU 73 CO 0.36 -0.30 1.19 -1.14 0.02 0.00 0.00 176.35 176.49 2avy n ARG 74 N 5.18 -0.01 0.22 1.70 0.00 -1.26 0.44 116.66 122.92 2avy n ARG 74 Ca 0.04 0.88 -0.16 0.00 -0.00 0.00 0.00 57.85 58.61 2avy n ARG 74 Cb 0.52 -1.91 -0.08 0.00 0.00 0.00 0.00 32.46 30.99 2avy n ARG 74 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 2avy h LYS 75 N 0.00 -0.74 -0.01 -0.14 1.63 -1.97 -3.25 116.57 112.09 2avy h LYS 75 Ca 0.70 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.56 2avy h LYS 75 Cb 2.64 0.17 0.00 0.00 -0.60 0.00 0.00 32.23 34.43 2avy h LYS 75 CO -0.14 -0.49 -0.48 1.19 -3.45 0.00 0.00 179.45 176.08 2avy n PHE 76 N -5.48 0.00 -0.70 1.91 3.01 0.45 -4.96 117.46 111.69 2avy n PHE 76 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.36 2avy n PHE 76 Cb 0.39 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.86 2avy n PHE 76 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2avy n GLY 77 N 1.22 0.02 3.68 1.37 0.00 0.17 -4.88 105.19 106.76 2avy n GLY 77 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 2avy n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2avy n LEU 78 N 0.00 0.00 -4.00 0.99 4.77 -1.26 -0.54 117.00 116.96 2avy n LEU 78 Ca 0.00 -2.01 -0.30 0.00 -0.03 0.00 0.00 56.01 53.67 2avy n LEU 78 Cb 0.19 -0.60 -0.16 0.00 -2.33 0.00 0.00 43.42 40.51 2avy n LEU 78 CO 0.00 -0.95 -0.47 -0.44 -1.33 0.00 0.00 177.39 174.19 2avy s SER 79 N -4.83 2.76 0.00 -1.43 0.01 -1.25 -3.31 113.70 105.65 2avy s SER 79 Ca 0.63 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 57.34 2avy s SER 79 Cb -0.04 -1.14 0.00 0.00 0.21 0.00 0.00 66.02 65.05 2avy s SER 79 CO 0.41 -0.08 0.00 0.54 0.41 0.00 0.00 173.24 174.52 2avy n ARG 80 N 4.78 0.00 -0.42 12.44 1.74 -0.78 -0.54 116.66 133.88 2avy n ARG 80 Ca -0.16 0.00 0.37 0.00 -0.77 0.00 0.00 57.85 57.29 2avy n ARG 80 Cb 0.49 0.00 0.63 0.00 -1.02 0.00 0.00 32.46 32.56 2avy n ARG 80 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 2avy n ILE 81 N 0.00 -0.26 -0.00 0.55 -6.64 -1.26 0.78 119.36 112.53 2avy n ILE 81 Ca 0.00 1.73 -0.12 0.00 -1.77 0.00 0.00 62.75 62.59 2avy n ILE 81 Cb 0.00 -2.82 -0.06 0.00 -1.44 0.00 0.00 39.64 35.31 2avy n ILE 81 CO 0.00 0.00 0.00 0.11 -1.77 0.00 0.00 176.55 174.89 2avy h LYS 82 N 0.00 0.10 -0.96 6.28 1.79 -1.21 0.28 116.57 122.85 2avy h LYS 82 Ca 0.82 -0.02 0.01 0.00 -2.18 0.00 0.00 60.65 59.29 2avy h LYS 82 Cb 2.60 -0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 33.18 2avy h LYS 82 CO -0.48 0.19 0.63 0.28 -1.08 0.00 0.00 179.45 178.99 2avy h VAL 83 N -0.01 1.25 0.31 0.50 2.07 0.24 -0.45 116.25 120.15 2avy h VAL 83 Ca 0.02 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.09 2avy h VAL 83 Cb 0.12 -0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 29.70 2avy h VAL 83 CO -0.00 0.24 -0.40 -0.09 0.02 0.00 0.00 177.57 177.33 2avy h ARG 84 N 1.30 -0.74 0.76 1.57 2.43 -0.09 0.60 114.38 120.21 2avy h ARG 84 Ca 0.35 0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.53 2avy h ARG 84 Cb -0.15 0.17 0.01 0.00 -0.42 0.00 0.00 29.97 29.58 2avy h ARG 84 CO -0.08 -0.49 -0.36 0.93 -1.51 0.00 0.00 179.97 178.46 2avy h GLU 85 N -0.77 -0.98 -1.19 0.20 5.08 -0.11 -1.86 114.58 114.95 2avy h GLU 85 Ca -0.02 0.07 0.36 0.00 -1.00 0.00 0.00 59.36 58.77 2avy h GLU 85 Cb 0.71 0.22 -0.11 0.00 0.50 0.00 0.00 28.75 30.07 2avy h GLU 85 CO -0.12 -0.65 0.77 0.00 -1.00 0.00 0.00 179.01 178.00 2avy h ALA 86 N -1.51 2.52 0.24 3.43 0.00 -1.09 0.82 119.26 123.66 2avy h ALA 86 Ca -0.10 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2avy h ALA 86 Cb 0.78 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2avy h ALA 86 CO 0.17 -1.05 -0.11 0.00 0.00 0.00 0.00 179.25 178.26 2avy h ALA 87 N 1.61 -0.32 -0.68 0.00 0.00 -0.65 0.32 119.26 119.53 2avy h ALA 87 Ca 0.71 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.44 2avy h ALA 87 Cb 2.09 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.97 2avy h ALA 87 CO -0.36 -0.45 0.45 0.52 0.00 0.00 0.00 179.25 179.41 2avy h MET 88 N -0.78 0.86 -0.03 0.00 2.07 -0.25 0.81 114.93 117.61 2avy h MET 88 Ca -0.03 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.55 2avy h MET 88 Cb 0.51 -0.19 0.00 0.00 -1.87 0.00 0.00 31.60 30.04 2avy h MET 88 CO 0.05 0.57 0.00 0.54 1.07 0.00 0.00 176.91 179.14 2avy n ARG 89 N -4.44 1.07 -0.66 1.72 1.74 0.11 -4.85 116.66 111.36 2avy n ARG 89 Ca 0.08 -0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 2avy n ARG 89 Cb 0.07 -1.10 0.00 0.00 -1.02 0.00 0.00 32.46 30.41 2avy n ARG 89 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2avy n GLY 90 N 0.62 0.08 0.34 -0.13 0.00 0.28 -4.76 105.19 101.62 2avy n GLY 90 Ca 0.05 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.24 2avy n GLY 90 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2avy h GLU 91 N 0.23 0.00 -5.08 1.61 5.08 -0.59 -3.37 114.58 112.46 2avy h GLU 91 Ca 0.00 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.74 2avy h GLU 91 Cb 0.22 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.32 2avy h GLU 91 CO 0.00 0.00 -0.51 0.42 -1.00 0.00 0.00 179.01 177.92 2avy s ILE 92 N -4.20 5.30 0.39 3.13 1.01 -0.93 -4.99 121.20 120.91 2avy s ILE 92 Ca -0.04 0.16 -0.28 0.00 0.00 0.00 0.00 60.65 60.49 2avy s ILE 92 Cb 0.11 -3.47 -0.11 0.00 0.01 0.00 0.00 42.46 39.00 2avy s ILE 92 CO 0.35 0.34 1.48 -0.81 0.00 0.00 0.00 174.94 176.30 2avy n PRO 93 N 4.33 2.62 -2.72 2.79 -0.04 -1.26 -4.05 135.00 136.66 2avy n PRO 93 Ca -0.15 0.92 -0.24 0.00 -0.04 0.00 0.00 63.50 63.99 2avy n PRO 93 Cb 0.52 -2.66 0.02 0.00 -0.04 0.00 0.00 33.50 31.34 2avy n PRO 93 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2avy n GLY 94 N 0.47 -0.04 3.15 0.55 0.00 -1.26 -4.97 105.19 103.09 2avy n GLY 94 Ca 0.02 0.68 0.04 0.00 0.00 0.00 0.00 46.02 46.76 2avy n GLY 94 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2avy s LEU 95 N -1.96 -1.35 0.45 0.99 2.96 -1.26 -5.17 118.68 113.34 2avy s LEU 95 Ca 0.20 0.36 0.03 0.00 -0.22 0.00 0.00 54.13 54.51 2avy s LEU 95 Cb -0.02 1.94 -0.02 0.00 0.50 0.00 0.00 46.19 48.59 2avy s LEU 95 CO 0.56 -0.25 0.07 -1.59 -1.32 0.00 0.00 176.35 173.82 2avy s LYS 96 N 2.86 2.03 0.58 1.98 -2.85 -1.26 -4.85 119.74 118.22 2avy s LYS 96 Ca 0.14 -2.25 -0.18 0.00 -1.00 0.00 0.00 55.97 52.68 2avy s LYS 96 Cb -0.10 -1.04 -0.09 0.00 -2.06 0.00 0.00 37.83 34.54 2avy s LYS 96 CO -0.23 -0.40 0.47 1.63 0.10 0.00 0.00 175.35 176.92 2avy n LYS 97 N -1.05 0.46 -4.06 1.78 4.76 -1.26 -4.98 118.16 113.82 2avy n LYS 97 Ca -0.11 0.18 -0.34 0.00 -2.87 0.00 0.00 58.31 55.17 2avy n LYS 97 Cb 0.66 -1.66 -0.15 0.00 -1.84 0.00 0.00 35.03 32.04 2avy n LYS 97 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2avy s ALA 98 N -1.75 2.67 -0.06 7.82 0.00 -1.26 -5.10 121.76 124.09 2avy s ALA 98 Ca 0.68 -1.15 -0.03 0.00 0.00 0.00 0.00 51.96 51.46 2avy s ALA 98 Cb -0.44 -1.52 0.03 0.00 0.00 0.00 0.00 23.12 21.19 2avy s ALA 98 CO 0.55 -0.33 0.13 -1.54 0.00 0.00 0.00 175.76 174.57 2avy s SER 99 N 1.31 -0.10 0.00 0.00 1.04 -1.26 -5.36 113.70 109.33 2avy s SER 99 Ca 0.04 0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.74 2avy s SER 99 Cb -0.14 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.16 2avy s SER 99 CO -0.05 -0.12 0.00 -2.67 0.98 0.00 0.00 173.24 171.38