#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l8y n LYS 2 N 0.00 2.28 -1.09 1.61 4.81 -0.49 -4.59 118.16 120.70 1l8y n LYS 2 Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.47 1l8y n LYS 2 Cb 0.00 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.08 1l8y n LYS 2 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 1l8y n LEU 3 N 0.00 0.88 0.00 3.14 -0.00 -1.26 -4.76 117.00 115.00 1l8y n LEU 3 Ca 0.00 -1.89 0.00 0.00 -0.00 0.00 0.00 56.01 54.12 1l8y n LEU 3 Cb 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.37 1l8y n LEU 3 CO 0.00 0.50 0.00 -0.81 -0.00 0.00 0.00 177.39 177.08 1l8y n PRO 4 N 0.17 0.00 -1.09 1.47 -0.04 -1.26 -4.99 135.00 129.25 1l8y n PRO 4 Ca 0.06 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.63 1l8y n PRO 4 Cb 0.97 -0.23 -0.05 0.00 -0.04 0.00 0.00 33.50 34.15 1l8y n PRO 4 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1l8y n GLU 5 N 0.00 -1.99 0.00 0.54 2.13 0.31 -5.01 120.64 116.61 1l8y n GLU 5 Ca 0.00 1.55 0.00 0.00 0.66 0.00 0.00 57.16 59.37 1l8y n GLU 5 Cb 0.00 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 29.15 1l8y n GLU 5 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1l8y n SER 6 N -4.07 0.00 -4.22 4.31 2.88 -1.26 -4.93 113.62 106.33 1l8y n SER 6 Ca -0.04 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.16 1l8y n SER 6 Cb 0.54 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 64.13 1l8y n SER 6 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1l8y n PRO 7 N 0.00 -1.11 -1.78 -1.46 -0.02 -1.26 -4.98 135.00 124.39 1l8y n PRO 7 Ca 0.00 -0.31 -0.03 0.00 -2.02 0.00 0.00 63.50 61.14 1l8y n PRO 7 Cb 0.00 -1.54 0.02 0.00 -0.02 0.00 0.00 33.50 31.96 1l8y n PRO 7 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1l8y n LYS 8 N -0.91 0.60 0.00 -0.52 3.00 -1.18 -4.99 118.16 114.15 1l8y n LYS 8 Ca 0.00 -1.53 0.00 0.00 -0.00 0.00 0.00 58.31 56.79 1l8y n LYS 8 Cb 0.64 0.15 0.00 0.00 0.00 0.00 0.00 35.03 35.82 1l8y n LYS 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1l8y n ARG 9 N -0.43 0.00 0.00 1.64 5.12 1.29 -3.33 116.66 120.95 1l8y n ARG 9 Ca -0.15 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.77 1l8y n ARG 9 Cb 0.84 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.14 1l8y n ARG 9 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1l8y n ALA 10 N 5.46 0.00 0.10 7.54 0.00 0.60 -2.65 120.51 131.56 1l8y n ALA 10 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.64 1l8y n ALA 10 Cb 0.00 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.11 1l8y n ALA 10 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1l8y h GLU 11 N 0.00 0.00 0.01 0.00 5.08 -1.65 -2.40 114.58 115.62 1l8y h GLU 11 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1l8y h GLU 11 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1l8y h GLU 11 CO 0.00 0.00 -0.00 1.49 -1.00 0.00 0.00 179.01 179.50 1l8y h GLU 12 N 0.00 -0.01 -0.27 2.33 4.22 -1.02 -2.49 114.58 117.33 1l8y h GLU 12 Ca 0.20 0.00 0.07 0.00 0.08 0.00 0.00 59.36 59.71 1l8y h GLU 12 Cb 1.40 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.58 1l8y h GLU 12 CO -0.00 -0.01 -0.26 0.97 -2.18 0.00 0.00 179.01 177.53 1l8y h ILE 13 N -0.38 0.36 0.10 2.32 6.09 -0.66 -2.60 117.51 122.74 1l8y h ILE 13 Ca -0.00 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.48 1l8y h ILE 13 Cb 0.01 0.36 0.00 0.00 0.47 0.00 0.00 36.82 37.65 1l8y h ILE 13 CO 0.00 0.00 -0.05 -0.25 -3.07 0.00 0.00 178.15 174.78 1l8y h TRP 14 N -0.25 -0.13 -0.00 2.19 7.01 -1.63 -2.29 115.95 120.85 1l8y h TRP 14 Ca 0.15 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.15 1l8y h TRP 14 Cb 0.48 0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.57 1l8y h TRP 14 CO -0.42 0.37 -0.08 0.37 -2.79 0.00 0.00 178.44 175.88 1l8y h GLN 15 N -0.72 -0.09 -1.03 2.65 4.15 -1.42 0.65 115.11 119.29 1l8y h GLN 15 Ca -0.01 0.01 0.30 0.00 0.77 0.00 0.00 58.65 59.71 1l8y h GLN 15 Cb 0.55 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.22 1l8y h GLN 15 CO 0.02 -0.06 0.75 1.96 -1.93 0.00 0.00 178.83 179.57 1l8y h GLN 16 N -0.10 0.00 -0.18 1.69 1.08 -1.62 1.23 115.11 117.21 1l8y h GLN 16 Ca 0.00 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.09 1l8y h GLN 16 Cb 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1l8y h GLN 16 CO -0.05 0.00 -0.34 0.77 -0.95 0.00 0.00 178.83 178.25 1l8y h SER 17 N 0.00 0.61 0.00 1.46 0.02 -0.18 -3.37 113.55 112.09 1l8y h SER 17 Ca 0.49 -0.55 -0.33 0.00 -0.84 0.00 0.00 61.79 60.56 1l8y h SER 17 Cb 1.99 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 64.30 1l8y h SER 17 CO -0.01 1.04 -2.07 1.33 -1.14 0.00 0.00 176.83 175.99 1l8y n VAL 18 N -4.32 1.33 -0.22 2.27 0.24 0.20 -4.59 118.33 113.24 1l8y n VAL 18 Ca -0.06 -0.24 0.21 0.00 -2.04 0.00 0.00 64.34 62.20 1l8y n VAL 18 Cb 0.50 -1.90 0.37 0.00 -1.47 0.00 0.00 33.84 31.35 1l8y n VAL 18 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1l8y n ILE 19 N -4.11 -0.24 -0.09 1.34 3.06 0.40 0.16 119.36 119.88 1l8y n ILE 19 Ca -0.41 1.22 -0.08 0.00 -2.50 0.00 0.00 62.75 60.98 1l8y n ILE 19 Cb 0.76 -1.99 -0.01 0.00 0.54 0.00 0.00 39.64 38.94 1l8y n ILE 19 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 1l8y h GLY 20 N 0.00 0.43 1.77 4.50 0.00 -1.73 1.14 103.07 109.19 1l8y h GLY 20 Ca 0.53 -0.14 -0.14 0.00 0.00 0.00 0.00 47.33 47.58 1l8y h GLY 20 CO -0.44 0.12 -0.80 -1.80 0.00 0.00 0.00 176.54 173.62 1l8y h ASP 21 N 0.38 0.00 0.03 0.19 3.58 0.12 -2.26 116.42 118.46 1l8y h ASP 21 Ca 0.12 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.37 1l8y h ASP 21 Cb -0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1l8y h ASP 21 CO -0.06 0.62 -0.73 1.88 -2.88 0.00 0.00 179.24 178.07 1l8y h TYR 22 N 0.00 0.82 0.00 0.28 -1.99 0.02 -2.06 116.97 114.04 1l8y h TYR 22 Ca -0.04 -0.35 -0.18 0.00 2.00 0.00 0.00 58.73 60.15 1l8y h TYR 22 Cb 1.51 -0.13 -0.03 0.00 2.00 0.00 0.00 36.73 40.08 1l8y h TYR 22 CO 0.00 1.14 -0.85 -0.07 -0.00 0.00 0.00 178.16 178.38 1l8y h LEU 23 N 0.43 0.00 0.00 3.88 3.38 0.13 -3.31 115.31 119.81 1l8y h LEU 23 Ca -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1l8y h LEU 23 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1l8y h LEU 23 CO 0.14 0.85 -0.00 0.00 0.09 0.00 0.00 178.44 179.52 1l8y h ALA 24 N 1.15 -0.00 -0.98 1.53 0.00 -1.31 0.19 119.26 119.83 1l8y h ALA 24 Ca -0.01 -0.14 0.33 0.00 0.00 0.00 0.00 54.91 55.09 1l8y h ALA 24 Cb 1.56 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 19.19 1l8y h ALA 24 CO 0.11 -0.36 0.44 0.07 0.00 0.00 0.00 179.25 179.51 1l8y h ARG 25 N -0.28 0.17 -0.01 0.00 0.11 -1.46 -0.61 114.38 112.30 1l8y h ARG 25 Ca -0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1l8y h ARG 25 Cb 0.28 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.32 1l8y h ARG 25 CO 0.00 0.11 0.00 0.34 0.10 0.00 0.00 179.97 180.52 1l8y n PHE 26 N -5.19 0.02 -3.88 4.08 7.35 -1.22 -5.01 117.46 113.61 1l8y n PHE 26 Ca 0.31 -0.72 -0.37 0.00 -0.76 0.00 0.00 57.45 55.91 1l8y n PHE 26 Cb 1.00 -0.10 0.02 0.00 0.35 0.00 0.00 39.48 40.75 1l8y n PHE 26 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1l8y n LYS 27 N -0.90 -1.05 0.00 -4.13 4.76 0.23 -4.12 118.16 112.96 1l8y n LYS 27 Ca 0.07 0.29 0.00 0.00 -2.87 0.00 0.00 58.31 55.81 1l8y n LYS 27 Cb 0.43 -3.55 0.00 0.00 -1.84 0.00 0.00 35.03 30.07 1l8y n LYS 27 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1l8y n ASN 28 N -2.52 0.00 0.00 4.39 5.15 0.40 -5.02 115.26 117.67 1l8y n ASN 28 Ca -0.13 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 53.95 1l8y n ASN 28 Cb 0.59 0.00 0.47 0.00 -0.53 0.00 0.00 39.78 40.32 1l8y n ASN 28 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1l8y n ASP 29 N 0.00 0.00 0.00 1.20 2.03 -1.20 -4.36 116.55 114.22 1l8y n ASP 29 Ca 0.00 0.14 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1l8y n ASP 29 Cb 0.00 -0.35 0.00 0.00 -0.72 0.00 0.00 41.12 40.05 1l8y n ASP 29 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1l8y n ARG 30 N -1.35 0.00 -0.06 -0.67 5.12 -1.26 0.20 116.66 118.65 1l8y n ARG 30 Ca 0.08 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.90 1l8y n ARG 30 Cb 0.18 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.44 1l8y n ARG 30 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1l8y h VAL 31 N 0.00 0.19 0.00 1.55 2.07 -1.98 0.72 116.25 118.80 1l8y h VAL 31 Ca 0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 1l8y h VAL 31 Cb 0.00 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 1l8y h VAL 31 CO 0.00 0.00 -0.74 0.11 0.02 0.00 0.00 177.57 176.96 1l8y h LYS 32 N -0.37 0.00 0.61 1.57 1.79 0.20 -3.28 116.57 117.09 1l8y h LYS 32 Ca 0.12 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.56 1l8y h LYS 32 Cb 0.58 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.23 1l8y h LYS 32 CO -0.46 0.33 -0.29 0.00 -1.08 0.00 0.00 179.45 177.95 1l8y h ALA 33 N 1.59 -0.82 -0.18 3.86 0.00 0.24 -1.86 119.26 122.09 1l8y h ALA 33 Ca -0.05 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.72 1l8y h ALA 33 Cb 1.35 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1l8y h ALA 33 CO 0.05 -0.78 0.27 1.25 0.00 0.00 0.00 179.25 180.04 1l8y h LEU 34 N -1.18 0.00 0.10 0.00 6.46 0.28 -2.57 115.31 118.40 1l8y h LEU 34 Ca -0.08 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.67 1l8y h LEU 34 Cb 0.65 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.58 1l8y h LEU 34 CO 0.14 0.00 -0.05 0.11 -0.62 0.00 0.00 178.44 178.02 1l8y h LYS 35 N 0.00 -0.14 -1.33 1.25 1.79 -1.58 -2.75 116.57 113.81 1l8y h LYS 35 Ca 0.09 0.01 0.39 0.00 -2.18 0.00 0.00 60.65 58.96 1l8y h LYS 35 Cb 0.63 0.03 -0.09 0.00 -1.58 0.00 0.00 32.23 31.22 1l8y h LYS 35 CO -0.00 0.12 0.90 0.00 -1.08 0.00 0.00 179.45 179.40 1l8y h ALA 36 N -0.76 2.91 -0.18 3.86 0.00 -0.94 1.14 119.26 125.29 1l8y h ALA 36 Ca -0.01 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1l8y h ALA 36 Cb 0.32 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1l8y h ALA 36 CO 0.02 -1.40 -0.09 1.98 0.00 0.00 0.00 179.25 179.77 1l8y h MET 37 N 0.12 0.38 -0.07 0.00 1.85 -1.55 0.26 114.93 115.92 1l8y h MET 37 Ca 0.72 -0.17 -0.14 0.00 -0.61 0.00 0.00 59.70 59.50 1l8y h MET 37 Cb 2.44 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 34.45 1l8y h MET 37 CO -0.22 0.68 -0.59 1.49 -0.40 0.00 0.00 176.91 177.87 1l8y h GLU 38 N 0.07 0.24 0.00 0.39 4.22 0.13 -2.29 114.58 117.34 1l8y h GLU 38 Ca 0.04 -0.16 -0.09 0.00 0.08 0.00 0.00 59.36 59.22 1l8y h GLU 38 Cb 0.57 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1l8y h GLU 38 CO 0.03 0.77 -0.46 0.52 -2.18 0.00 0.00 179.01 177.68 1l8y h MET 39 N 0.18 0.00 0.00 1.92 2.86 0.11 -2.97 114.93 117.03 1l8y h MET 39 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1l8y h MET 39 Cb 1.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.75 1l8y h MET 39 CO 0.09 0.44 -0.52 1.15 1.06 0.00 0.00 176.91 179.13 1l8y h THR 40 N 0.00 0.00 0.09 2.22 2.02 -0.36 -2.97 112.91 113.91 1l8y h THR 40 Ca -0.01 -0.84 -0.33 0.00 0.77 0.00 0.00 66.41 66.00 1l8y h THR 40 Cb 1.34 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 69.29 1l8y h THR 40 CO 0.06 0.00 -1.78 1.87 0.37 0.00 0.00 175.52 176.03 1l8y n TRP 41 N -2.64 1.22 0.09 3.16 -0.00 -0.87 -4.07 117.44 114.31 1l8y n TRP 41 Ca 0.02 0.32 -0.22 0.00 -0.00 0.00 0.00 57.50 57.63 1l8y n TRP 41 Cb 0.51 -1.15 -0.15 0.00 -0.00 0.00 0.00 31.31 30.52 1l8y n TRP 41 CO 0.00 0.00 0.00 -2.95 -0.00 0.00 0.00 177.69 174.74 1l8y h ASN 42 N -0.23 0.64 -0.11 5.87 7.08 -1.68 -3.06 115.58 124.09 1l8y h ASN 42 Ca -0.40 -0.92 0.03 0.00 -3.08 0.00 0.00 56.30 51.93 1l8y h ASN 42 Cb 1.83 -0.21 -0.00 0.00 -2.08 0.00 0.00 38.32 37.86 1l8y h ASN 42 CO 0.01 1.51 0.19 -0.55 -2.08 0.00 0.00 177.43 176.51 1l8y h ASN 43 N -0.12 0.00 0.17 6.14 -0.00 -1.75 0.44 115.58 120.46 1l8y h ASN 43 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.12 1l8y h ASN 43 Cb 1.83 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 40.15 1l8y h ASN 43 CO 0.20 0.00 -0.25 0.80 -0.00 0.00 0.00 177.43 178.18 1l8y n MET 44 N -3.45 1.02 0.00 4.14 1.56 -1.22 -5.05 117.12 114.12 1l8y n MET 44 Ca -0.00 -0.65 0.00 0.00 -0.27 0.00 0.00 57.70 56.78 1l8y n MET 44 Cb 0.29 -1.49 0.00 0.00 2.15 0.00 0.00 33.22 34.17 1l8y n MET 44 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1l8y n GLU 45 N -0.42 0.00 -0.51 2.12 4.07 0.15 -3.00 120.64 123.05 1l8y n GLU 45 Ca 0.13 0.00 0.44 0.00 -0.06 0.00 0.00 57.16 57.67 1l8y n GLU 45 Cb 0.37 0.00 0.74 0.00 -0.06 0.00 0.00 31.44 32.49 1l8y n GLU 45 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 1l8y h LYS 46 N 0.00 0.00 0.16 5.31 3.64 -1.87 -2.04 116.57 121.77 1l8y h LYS 46 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1l8y h LYS 46 Cb 0.00 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1l8y h LYS 46 CO 0.00 0.00 -0.34 -0.22 -2.27 0.00 0.00 179.45 176.62 1l8y h LYS 47 N 0.00 -0.52 0.10 1.90 3.64 -1.88 -2.88 116.57 116.93 1l8y h LYS 47 Ca 0.76 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 60.17 1l8y h LYS 47 Cb 3.21 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 35.15 1l8y h LYS 47 CO -0.01 -0.35 -0.05 0.93 -2.27 0.00 0.00 179.45 177.70 1l8y h GLU 48 N -0.54 -0.13 0.00 1.90 4.39 -1.51 -3.28 114.58 115.40 1l8y h GLU 48 Ca -0.02 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1l8y h GLU 48 Cb 0.52 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1l8y h GLU 48 CO -0.14 -0.09 0.00 1.63 -1.16 0.00 0.00 179.01 179.25 1l8y n LYS 49 N -3.55 0.00 -0.30 2.33 5.02 -1.02 0.70 118.16 121.34 1l8y n LYS 49 Ca -0.02 0.48 0.13 0.00 -2.02 0.00 0.00 58.31 56.88 1l8y n LYS 49 Cb 0.05 -0.82 0.30 0.00 -0.02 0.00 0.00 35.03 34.55 1l8y n LYS 49 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1l8y h LEU 50 N 0.00 0.31 -0.49 -0.35 -0.00 -1.73 -1.10 115.31 111.96 1l8y h LEU 50 Ca 0.00 0.16 -0.13 0.00 -0.00 0.00 0.00 57.88 57.91 1l8y h LEU 50 Cb 0.00 0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 40.78 1l8y h LEU 50 CO 0.00 -0.01 -0.60 0.24 -0.00 0.00 0.00 178.44 178.07 1l8y h MET 51 N 0.39 0.00 -0.57 1.13 2.86 -1.09 -3.08 114.93 114.58 1l8y h MET 51 Ca 0.56 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 58.15 1l8y h MET 51 Cb 1.06 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.69 1l8y h MET 51 CO -0.53 0.60 0.15 -1.49 1.06 0.00 0.00 176.91 176.70 1l8y h TRP 52 N 0.00 0.89 0.54 -0.22 4.06 0.16 -2.08 115.95 119.30 1l8y h TRP 52 Ca -0.01 -0.08 -0.03 0.00 2.06 0.00 0.00 58.89 60.84 1l8y h TRP 52 Cb 1.25 -0.26 0.01 0.00 -1.00 0.00 0.00 29.16 29.15 1l8y h TRP 52 CO 0.00 0.74 -0.26 0.82 -3.56 0.00 0.00 178.44 176.18 1l8y h ILE 53 N 0.83 0.00 -0.88 1.49 2.04 -1.45 -3.03 117.51 116.52 1l8y h ILE 53 Ca 0.18 -0.03 0.26 0.00 1.00 0.00 0.00 64.86 66.27 1l8y h ILE 53 Cb 0.29 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.33 1l8y h ILE 53 CO -0.00 0.00 0.66 0.50 0.00 0.00 0.00 178.15 179.31 1l8y h LYS 54 N -0.76 0.00 0.32 2.37 1.63 -1.46 1.95 116.57 120.63 1l8y h LYS 54 Ca -0.07 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.71 1l8y h LYS 54 Cb 0.56 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.19 1l8y h LYS 54 CO 0.12 0.00 -0.15 -0.22 -3.45 0.00 0.00 179.45 175.75 1l8y h LYS 55 N 0.00 -0.42 0.00 1.90 3.64 -1.25 1.39 116.57 121.84 1l8y h LYS 55 Ca 0.42 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 1l8y h LYS 55 Cb 1.74 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.65 1l8y h LYS 55 CO -0.00 -0.26 -0.57 0.00 -2.27 0.00 0.00 179.45 176.35 1l8y h ALA 56 N 0.23 0.64 0.01 5.00 0.00 -1.11 -2.45 119.26 121.58 1l8y h ALA 56 Ca -0.04 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.64 1l8y h ALA 56 Cb 0.34 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1l8y h ALA 56 CO 0.07 0.00 -0.95 0.00 0.00 0.00 0.00 179.25 178.37 1l8y h ALA 57 N 2.41 0.38 0.00 0.00 0.00 0.33 1.51 119.26 123.89 1l8y h ALA 57 Ca 0.00 -0.73 -0.14 0.00 0.00 0.00 0.00 54.91 54.04 1l8y h ALA 57 Cb 0.79 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1l8y h ALA 57 CO 0.00 0.85 -0.66 1.49 0.00 0.00 0.00 179.25 180.94 1l8y h GLU 58 N 0.19 0.00 0.00 0.00 4.81 0.19 -2.82 114.58 116.95 1l8y h GLU 58 Ca -0.08 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 1l8y h GLU 58 Cb 1.60 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.97 1l8y h GLU 58 CO 0.16 0.66 -0.50 -0.44 -0.73 0.00 0.00 179.01 178.15 1l8y h ASP 59 N 0.00 0.00 0.43 1.04 5.19 -1.04 -3.25 116.42 118.79 1l8y h ASP 59 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1l8y h ASP 59 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 1l8y h ASP 59 CO 0.09 0.20 0.00 1.67 -3.12 0.00 0.00 179.24 178.08 1l8y n GLN 60 N -3.02 0.07 0.19 3.56 7.27 0.51 -2.00 117.38 123.97 1l8y n GLN 60 Ca 0.01 0.38 0.06 0.00 0.07 0.00 0.00 57.00 57.52 1l8y n GLN 60 Cb 0.62 -1.66 0.36 0.00 2.41 0.00 0.00 30.24 31.97 1l8y n GLN 60 CO 0.00 0.00 0.00 0.87 0.07 0.00 0.00 177.06 178.00 1l8y h LYS 61 N 0.00 0.00 0.00 3.69 6.56 -1.64 0.26 116.57 125.44 1l8y h LYS 61 Ca 0.00 0.00 -0.16 0.00 -1.06 0.00 0.00 60.65 59.43 1l8y h LYS 61 Cb 0.22 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.85 1l8y h LYS 61 CO 0.00 0.36 -0.91 0.00 -2.06 0.00 0.00 179.45 176.84 1l8y h ARG 62 N 0.00 0.00 0.00 3.15 3.08 -1.64 -2.55 114.38 116.41 1l8y h ARG 62 Ca -0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 1l8y h ARG 62 Cb 0.85 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 1l8y h ARG 62 CO 0.05 0.60 -2.08 0.66 -1.07 0.00 0.00 179.97 178.13 1l8y n TYR 63 N -3.18 0.00 0.03 3.04 4.01 -1.15 -4.33 117.16 115.58 1l8y n TYR 63 Ca -0.02 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.50 1l8y n TYR 63 Cb 0.84 -0.62 -0.14 0.00 -0.31 0.00 0.00 39.34 39.10 1l8y n TYR 63 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 1l8y h GLU 64 N 0.00 0.30 -0.95 -0.72 4.81 -0.60 0.88 114.58 118.31 1l8y h GLU 64 Ca -0.14 -0.51 0.21 0.00 -0.13 0.00 0.00 59.36 58.78 1l8y h GLU 64 Cb 1.31 0.19 -0.12 0.00 0.63 0.00 0.00 28.75 30.77 1l8y h GLU 64 CO 0.01 1.25 0.51 0.07 -0.73 0.00 0.00 179.01 180.12 1l8y h ARG 65 N -0.17 0.56 -0.29 1.92 0.11 -1.63 -1.26 114.38 113.62 1l8y h ARG 65 Ca -0.31 -0.03 0.07 0.00 0.10 0.00 0.00 59.98 59.80 1l8y h ARG 65 Cb 1.87 -0.13 -0.08 0.00 1.11 0.00 0.00 29.97 32.74 1l8y h ARG 65 CO 0.10 0.37 -0.30 0.93 0.10 0.00 0.00 179.97 181.18 1l8y h GLU 66 N 0.58 -0.27 0.05 0.08 3.07 -1.75 0.74 114.58 117.07 1l8y h GLU 66 Ca 0.57 0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.45 1l8y h GLU 66 Cb 1.00 0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 1l8y h GLU 66 CO -0.45 -0.18 -0.02 1.37 -1.40 0.00 0.00 179.01 178.32 1l8y h LEU 67 N -0.28 -0.06 -0.88 1.33 8.10 -1.42 -3.23 115.31 118.86 1l8y h LEU 67 Ca 0.15 0.00 0.21 0.00 0.11 0.00 0.00 57.88 58.35 1l8y h LEU 67 Cb 0.52 0.01 -0.12 0.00 -0.44 0.00 0.00 40.66 40.63 1l8y h LEU 67 CO -0.45 -0.03 0.37 -1.28 -4.11 0.00 0.00 178.44 172.94 1l8y h SER 68 N -0.08 0.30 -0.22 0.17 0.87 -1.41 0.41 113.55 113.59 1l8y h SER 68 Ca -0.01 0.15 0.06 0.00 -1.23 0.00 0.00 61.79 60.77 1l8y h SER 68 Cb 0.05 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1l8y h SER 68 CO 0.01 -0.00 0.37 1.05 -0.53 0.00 0.00 176.83 177.73 1l8y h GLU 69 N 0.39 0.00 0.00 2.24 4.11 0.44 0.64 114.58 122.40 1l8y h GLU 69 Ca 0.55 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.98 1l8y h GLU 69 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1l8y h GLU 69 CO -0.53 0.00 -0.59 0.52 0.07 0.00 0.00 179.01 178.48 1l8y h MET 70 N 0.00 0.00 -0.85 1.06 2.86 -0.26 -3.31 114.93 114.42 1l8y h MET 70 Ca 0.10 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.68 1l8y h MET 70 Cb 0.85 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.47 1l8y h MET 70 CO -0.00 0.00 0.08 -2.13 1.06 0.00 0.00 176.91 175.92 1l8y n ARG 71 N -2.73 2.58 -2.70 1.72 0.63 0.22 -4.16 116.66 112.23 1l8y n ARG 71 Ca 0.02 -1.50 -0.06 0.00 -0.92 0.00 0.00 57.85 55.38 1l8y n ARG 71 Cb 0.53 -1.80 0.12 0.00 0.45 0.00 0.00 32.46 31.75 1l8y n ARG 71 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1l8y n ALA 72 N 0.16 1.51 0.20 5.13 0.00 -1.23 -4.91 120.51 121.37 1l8y n ALA 72 Ca 0.17 -1.32 -0.15 0.00 0.00 0.00 0.00 53.44 52.14 1l8y n ALA 72 Cb 0.80 -0.98 -0.08 0.00 0.00 0.00 0.00 19.45 19.19 1l8y n ALA 72 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1l8y h PRO 73 N 1.92 -0.44 -0.95 0.00 0.11 -1.75 -2.80 132.00 128.09 1l8y h PRO 73 Ca -0.29 0.03 -0.39 0.00 0.11 0.00 0.00 66.00 65.46 1l8y h PRO 73 Cb 1.30 0.10 -0.23 0.00 0.11 0.00 0.00 31.00 32.27 1l8y h PRO 73 CO -0.06 -0.28 0.49 -0.35 -0.21 0.00 0.00 178.00 177.59 1l8y n PRO 74 N -5.28 2.45 -0.04 1.05 -0.04 -1.26 -4.66 135.00 127.21 1l8y n PRO 74 Ca -0.10 -2.66 -0.11 0.00 -0.04 0.00 0.00 63.50 60.59 1l8y n PRO 74 Cb 0.21 -2.06 -0.06 0.00 -0.04 0.00 0.00 33.50 31.56 1l8y n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1l8y h ALA 75 N 1.52 -0.53 -4.67 0.55 0.00 -1.82 -3.48 119.26 110.82 1l8y h ALA 75 Ca 0.48 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1l8y h ALA 75 Cb 2.52 0.82 0.00 0.00 0.00 0.00 0.00 17.79 21.13 1l8y h ALA 75 CO 0.89 -0.90 -0.99 0.00 0.00 0.00 0.00 179.25 178.25 1l8y n ALA 76 N -2.97 -2.01 -0.92 0.00 0.00 -1.26 -4.36 120.51 108.98 1l8y n ALA 76 Ca -0.03 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1l8y n ALA 76 Cb 0.36 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1l8y n ALA 76 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1l8y n THR 77 N 1.86 0.00 -1.96 0.00 -1.04 -1.26 -4.66 114.28 107.22 1l8y n THR 77 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 1l8y n THR 77 Cb 0.00 -0.22 -0.05 0.00 -1.82 0.00 0.00 70.33 68.24 1l8y n THR 77 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1l8y n ASN 78 N -0.14 -0.72 -0.02 8.00 4.13 -1.26 -4.90 115.26 120.35 1l8y n ASN 78 Ca 0.00 -1.65 -0.03 0.00 1.68 0.00 0.00 54.58 54.58 1l8y n ASN 78 Cb 0.07 0.22 -0.01 0.00 -1.54 0.00 0.00 39.78 38.52 1l8y n ASN 78 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1l8y n SER 79 N 0.00 0.61 -0.01 6.41 3.41 -1.26 -4.85 113.62 117.92 1l8y n SER 79 Ca -0.20 0.10 0.01 0.00 -0.26 0.00 0.00 58.87 58.52 1l8y n SER 79 Cb 0.62 -0.53 -0.04 0.00 -0.26 0.00 0.00 64.21 64.00 1l8y n SER 79 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1l8y n SER 80 N -3.11 3.78 -0.94 4.04 7.64 -1.26 -5.01 113.62 118.76 1l8y n SER 80 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 1l8y n SER 80 Cb 0.15 1.04 0.00 0.00 -1.01 0.00 0.00 64.21 64.39 1l8y n SER 80 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1l8y n LYS 81 N -1.85 -2.62 -3.31 1.43 5.02 -1.26 -4.89 118.16 110.68 1l8y n LYS 81 Ca -0.03 1.98 -0.26 0.00 -2.02 0.00 0.00 58.31 57.98 1l8y n LYS 81 Cb 0.31 -2.33 -0.07 0.00 -0.02 0.00 0.00 35.03 32.92 1l8y n LYS 81 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1l8y n LYS 82 N -1.42 2.24 -2.13 1.97 5.02 -1.26 -5.09 118.16 117.49 1l8y n LYS 82 Ca 0.00 -4.40 -0.40 0.00 -2.02 0.00 0.00 58.31 51.49 1l8y n LYS 82 Cb 0.11 -2.05 -0.02 0.00 -0.02 0.00 0.00 35.03 33.06 1l8y n LYS 82 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1l8y s LEU 83 N -2.37 4.35 0.00 -0.35 2.34 -1.26 -5.26 118.68 116.12 1l8y s LEU 83 Ca 0.40 2.63 0.27 0.00 0.06 0.00 0.00 54.13 57.50 1l8y s LEU 83 Cb 0.18 -3.75 0.89 0.00 -0.56 0.00 0.00 46.19 42.94 1l8y s LEU 83 CO -0.05 -0.62 1.65 -1.84 -1.06 0.00 0.00 176.35 174.44