#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 1.61 -2.73 1.61 4.81 -0.81 -4.91 118.16 117.73 1l8y n LYS 2 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 1l8y n LYS 2 Cb 0.00 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.11 1l8y n LYS 2 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1l8y n LEU 3 N 0.00 0.72 0.00 3.14 4.32 -1.26 -4.86 117.00 119.05 1l8y n LEU 3 Ca 0.00 -3.36 0.00 0.00 -0.02 0.00 0.00 56.01 52.63 1l8y n LEU 3 Cb 0.00 0.36 0.00 0.00 -1.62 0.00 0.00 43.42 42.16 1l8y n LEU 3 CO 0.00 1.42 0.03 -0.81 -1.22 0.00 0.00 177.39 176.81 1l8y n PRO 4 N -0.52 0.00 0.00 3.23 -0.04 -1.26 -4.94 135.00 131.47 1l8y n PRO 4 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1l8y n PRO 4 Cb 0.82 -0.44 0.00 0.00 -0.04 0.00 0.00 33.50 33.84 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 -0.09 0.00 -2.01 0.54 2.13 -1.26 -5.09 120.64 114.86 1l8y n GLU 5 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 1l8y n GLU 5 Cb 0.00 -0.09 0.00 0.00 0.27 0.00 0.00 31.44 31.63 1l8y n GLU 5 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1l8y n SER 6 N -1.63 -3.98 -3.53 4.31 7.64 -1.26 -5.06 113.62 110.10 1l8y n SER 6 Ca 0.00 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.92 1l8y n SER 6 Cb 0.00 -2.47 0.00 0.00 -1.01 0.00 0.00 64.21 60.73 1l8y n SER 6 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1l8y n PRO 7 N -1.02 1.69 -1.63 1.43 -0.02 -1.26 -5.02 135.00 129.17 1l8y n PRO 7 Ca 0.01 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.44 1l8y n PRO 7 Cb 0.40 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.89 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 0.00 0.52 0.00 -0.52 0.00 -0.82 -4.99 118.16 112.36 1l8y n LYS 8 Ca 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 58.31 57.27 1l8y n LYS 8 Cb 0.00 0.47 0.00 0.00 0.00 0.00 0.00 35.03 35.50 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 -0.59 0.00 0.00 1.64 5.12 0.61 -3.34 116.66 120.10 1l8y n ARG 9 Ca -0.23 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.69 1l8y n ARG 9 Cb 0.76 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.06 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 4.78 -0.00 0.23 7.54 0.00 -1.07 -2.63 120.51 129.35 1l8y n ALA 10 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 1l8y n ALA 10 Cb 0.00 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.13 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 0.00 0.00 5.08 -1.67 -1.72 114.58 116.27 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 -0.01 1.49 -1.00 0.00 0.00 179.01 179.49 1l8y h GLU 12 N 0.00 0.00 -0.59 2.33 4.22 0.26 -1.95 114.58 118.85 1l8y h GLU 12 Ca 0.09 0.00 0.12 0.00 0.08 0.00 0.00 59.36 59.65 1l8y h GLU 12 Cb 1.08 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.22 1l8y h GLU 12 CO -0.00 0.00 -0.07 0.97 -2.18 0.00 0.00 179.01 177.73 1l8y h ILE 13 N -0.18 0.47 0.16 2.32 6.09 -0.46 -2.37 117.51 123.54 1l8y h ILE 13 Ca 0.00 -0.02 -0.01 0.00 -1.37 0.00 0.00 64.86 63.46 1l8y h ILE 13 Cb 0.01 0.41 0.00 0.00 0.47 0.00 0.00 36.82 37.70 1l8y h ILE 13 CO 0.00 0.01 -0.08 -0.25 -3.07 0.00 0.00 178.15 174.76 1l8y h TRP 14 N 0.06 -0.20 -0.58 2.19 7.01 -1.50 -2.48 115.95 120.45 1l8y h TRP 14 Ca 0.29 -0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.34 1l8y h TRP 14 Cb 0.47 0.07 -0.08 0.00 -2.10 0.00 0.00 29.16 27.52 1l8y h TRP 14 CO -0.41 -0.13 -0.41 0.37 -2.79 0.00 0.00 178.44 175.07 1l8y h GLN 15 N -0.69 -0.08 -1.02 2.65 5.75 -1.37 1.24 115.11 121.59 1l8y h GLN 15 Ca -0.02 0.01 0.25 0.00 -0.15 0.00 0.00 58.65 58.74 1l8y h GLN 15 Cb 0.17 0.02 -0.09 0.00 1.07 0.00 0.00 27.48 28.64 1l8y h GLN 15 CO 0.04 -0.05 0.66 0.37 -2.65 0.00 0.00 178.83 177.19 1l8y h GLN 16 N -0.08 0.40 -0.24 1.69 4.15 -1.55 1.33 115.11 120.82 1l8y h GLN 16 Ca 0.09 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.41 1l8y h GLN 16 Cb 0.33 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 1l8y h GLN 16 CO -0.59 0.27 -0.16 0.77 -1.93 0.00 0.00 178.83 177.19 1l8y h SER 17 N 0.42 0.55 0.00 -0.69 0.02 0.17 -3.27 113.55 110.74 1l8y h SER 17 Ca 0.58 -0.44 -0.05 0.00 -0.84 0.00 0.00 61.79 61.05 1l8y h SER 17 Cb 1.43 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 1l8y h SER 17 CO -0.29 0.87 -0.46 -0.37 -1.14 0.00 0.00 176.83 175.44 1l8y h VAL 18 N 0.24 0.42 -1.10 2.27 -1.51 0.23 -3.38 116.25 113.42 1l8y h VAL 18 Ca 0.05 -1.41 0.38 0.00 -1.23 0.00 0.00 66.70 64.49 1l8y h VAL 18 Cb 0.68 0.89 -0.11 0.00 -2.13 0.00 0.00 31.29 30.62 1l8y h VAL 18 CO 0.04 0.14 0.70 0.00 -1.23 0.00 0.00 177.57 177.23 1l8y n ILE 19 N -4.62 -0.21 -0.27 7.19 3.06 0.44 0.11 119.36 125.06 1l8y n ILE 19 Ca -0.11 1.45 -0.05 0.00 -2.50 0.00 0.00 62.75 61.54 1l8y n ILE 19 Cb 0.31 -2.38 0.06 0.00 0.54 0.00 0.00 39.64 38.17 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 1.09 1.59 4.50 0.00 -1.73 1.02 103.07 109.54 1l8y h GLY 20 Ca 0.70 -0.48 -0.04 0.00 0.00 0.00 0.00 47.33 47.52 1l8y h GLY 20 CO -0.38 0.46 -0.57 -1.80 0.00 0.00 0.00 176.54 174.25 1l8y h ASP 21 N 1.02 0.00 0.15 0.19 3.58 0.63 -2.85 116.42 119.14 1l8y h ASP 21 Ca 0.26 0.00 -0.24 0.00 0.42 0.00 0.00 57.03 57.48 1l8y h ASP 21 Cb -0.00 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.07 1l8y h ASP 21 CO -0.05 0.18 -1.10 1.88 -2.88 0.00 0.00 179.24 177.28 1l8y h TYR 22 N 0.00 0.58 -0.04 0.28 0.05 -0.75 -2.95 116.97 114.13 1l8y h TYR 22 Ca -0.02 -0.42 -0.08 0.00 0.05 0.00 0.00 58.73 58.26 1l8y h TYR 22 Cb 1.16 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.86 1l8y h TYR 22 CO 0.00 1.42 -0.36 -0.07 -1.05 0.00 0.00 178.16 178.11 1l8y h LEU 23 N -0.28 0.08 0.27 3.88 3.38 0.97 -3.22 115.31 120.39 1l8y h LEU 23 Ca -0.21 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1l8y h LEU 23 Cb 1.76 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.49 1l8y h LEU 23 CO 0.14 0.44 -0.13 0.00 0.09 0.00 0.00 178.44 178.98 1l8y h ALA 24 N 1.57 -0.37 -1.06 1.53 0.00 -1.58 0.38 119.26 119.74 1l8y h ALA 24 Ca 0.01 -0.19 0.43 0.00 0.00 0.00 0.00 54.91 55.16 1l8y h ALA 24 Cb 0.67 0.14 -0.17 0.00 0.00 0.00 0.00 17.79 18.43 1l8y h ALA 24 CO 0.05 -0.51 0.59 0.07 0.00 0.00 0.00 179.25 179.45 1l8y h ARG 25 N -0.76 0.00 0.00 0.00 0.11 -1.52 0.12 114.38 112.33 1l8y h ARG 25 Ca -0.04 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1l8y h ARG 25 Cb 0.50 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.58 1l8y h ARG 25 CO 0.06 0.00 -0.03 0.34 0.10 0.00 0.00 179.97 180.44 1l8y n PHE 26 N -5.18 0.00 -3.97 4.08 7.35 -1.24 -5.01 117.46 113.50 1l8y n PHE 26 Ca 0.38 -0.72 -0.37 0.00 -0.76 0.00 0.00 57.45 55.98 1l8y n PHE 26 Cb 1.33 -0.10 0.01 0.00 0.35 0.00 0.00 39.48 41.06 1l8y n PHE 26 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1l8y n LYS 27 N -0.97 -1.14 0.00 -4.13 0.00 0.41 -4.10 118.16 108.23 1l8y n LYS 27 Ca 0.09 0.25 0.00 0.00 0.00 0.00 0.00 58.31 58.65 1l8y n LYS 27 Cb 0.51 -3.49 0.00 0.00 0.00 0.00 0.00 35.03 32.05 1l8y n LYS 27 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1l8y n ASN 28 N -2.55 0.00 0.00 3.14 2.85 0.11 -5.01 115.26 113.81 1l8y n ASN 28 Ca -0.17 0.00 0.11 0.00 -0.11 0.00 0.00 54.58 54.41 1l8y n ASN 28 Cb 0.61 0.00 0.55 0.00 1.24 0.00 0.00 39.78 42.18 1l8y n ASN 28 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1l8y n ASP 29 N 0.00 0.00 0.00 1.20 2.03 -1.18 -4.35 116.55 114.25 1l8y n ASP 29 Ca 0.00 -0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.26 1l8y n ASP 29 Cb 0.00 -0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 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 -1.27 0.00 -0.24 -0.67 5.12 -1.26 0.26 116.66 118.59 1l8y n ARG 30 Ca 0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.03 1l8y n ARG 30 Cb 0.17 0.00 0.07 0.00 -1.16 0.00 0.00 32.46 31.54 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 0.27 0.00 1.55 2.07 -1.98 0.39 116.25 118.55 1l8y h VAL 31 Ca 0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 1l8y h VAL 31 Cb 0.00 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 1l8y h VAL 31 CO 0.00 0.00 -0.69 0.11 0.02 0.00 0.00 177.57 177.01 1l8y h LYS 32 N -0.02 0.00 0.12 1.57 1.79 0.32 -3.32 116.57 117.03 1l8y h LYS 32 Ca 0.33 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.79 1l8y h LYS 32 Cb 0.53 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1l8y h LYS 32 CO -0.73 0.17 -0.06 0.00 -1.08 0.00 0.00 179.45 177.75 1l8y h ALA 33 N 1.78 -0.16 -0.88 3.86 0.00 0.21 0.72 119.26 124.79 1l8y h ALA 33 Ca -0.03 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1l8y h ALA 33 Cb 1.20 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 1l8y h ALA 33 CO 0.02 -0.48 0.58 1.25 0.00 0.00 0.00 179.25 180.62 1l8y h LEU 34 N -0.39 0.93 0.16 0.00 6.46 -0.56 -2.52 115.31 119.41 1l8y h LEU 34 Ca -0.02 -0.01 -0.22 0.00 -0.12 0.00 0.00 57.88 57.52 1l8y h LEU 34 Cb 0.31 -0.21 0.03 0.00 -0.73 0.00 0.00 40.66 40.06 1l8y h LEU 34 CO 0.03 0.63 -0.94 0.11 -0.62 0.00 0.00 178.44 177.65 1l8y h LYS 35 N 1.08 0.35 -0.79 1.25 1.79 -1.63 0.26 116.57 118.88 1l8y h LYS 35 Ca 0.35 -0.59 0.23 0.00 -2.18 0.00 0.00 60.65 58.46 1l8y h LYS 35 Cb 0.05 0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 30.89 1l8y h LYS 35 CO -0.11 1.28 0.64 0.00 -1.08 0.00 0.00 179.45 180.19 1l8y h ALA 36 N 0.10 2.67 0.03 3.86 0.00 0.67 -0.48 119.26 126.11 1l8y h ALA 36 Ca -0.16 -0.03 -0.38 0.00 0.00 0.00 0.00 54.91 54.34 1l8y h ALA 36 Cb 1.74 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.54 1l8y h ALA 36 CO 0.18 -1.05 -2.36 -0.12 0.00 0.00 0.00 179.25 175.90 1l8y n MET 37 N -4.02 0.68 0.13 0.00 0.00 -0.97 -3.80 117.12 109.13 1l8y n MET 37 Ca 0.16 0.17 -0.05 0.00 -0.00 0.00 0.00 57.70 57.98 1l8y n MET 37 Cb 0.93 -1.57 -0.03 0.00 0.00 0.00 0.00 33.22 32.55 1l8y n MET 37 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 1l8y h GLU 38 N 0.02 -0.32 -0.28 2.12 4.22 0.10 -0.95 114.58 119.48 1l8y h GLU 38 Ca -0.54 0.02 0.02 0.00 0.08 0.00 0.00 59.36 58.94 1l8y h GLU 38 Cb 1.94 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 31.25 1l8y h GLU 38 CO -0.04 -0.22 0.19 0.52 -2.18 0.00 0.00 179.01 177.28 1l8y h MET 39 N -0.34 0.30 0.00 1.92 0.00 -1.42 0.21 114.93 115.60 1l8y h MET 39 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 59.70 59.65 1l8y h MET 39 Cb 0.26 -0.07 0.00 0.00 0.00 0.00 0.00 31.60 31.80 1l8y h MET 39 CO 0.04 0.20 0.00 1.15 0.00 0.00 0.00 176.91 178.30 1l8y h THR 40 N 0.31 0.00 0.00 2.22 2.02 -1.63 -3.07 112.91 112.76 1l8y h THR 40 Ca 0.11 -0.33 -0.29 0.00 0.77 0.00 0.00 66.41 66.66 1l8y h THR 40 Cb 0.06 1.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 1l8y h THR 40 CO -0.02 0.00 -1.96 1.87 0.37 0.00 0.00 175.52 175.77 1l8y n TRP 41 N -2.50 0.00 0.10 3.16 -0.00 -0.01 -4.39 117.44 113.79 1l8y n TRP 41 Ca 0.02 0.00 0.17 0.00 -0.00 0.00 0.00 57.50 57.68 1l8y n TRP 41 Cb 0.27 -0.80 0.46 0.00 -0.00 0.00 0.00 31.31 31.24 1l8y n TRP 41 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1l8y h ASN 42 N -0.97 0.00 1.22 5.87 2.35 -0.74 1.03 115.58 124.33 1l8y h ASN 42 Ca -0.44 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.21 1l8y h ASN 42 Cb 1.38 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.73 1l8y h ASN 42 CO -0.27 0.00 -0.82 -0.55 -1.65 0.00 0.00 177.43 174.14 1l8y h ASN 43 N 0.00 0.00 1.61 5.81 7.08 -1.75 -3.32 115.58 125.01 1l8y h ASN 43 Ca 0.21 0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.42 1l8y h ASN 43 Cb 1.86 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 38.10 1l8y h ASN 43 CO -0.00 0.39 -0.40 -0.03 -2.08 0.00 0.00 177.43 175.31 1l8y h MET 44 N 0.00 0.00 0.00 4.14 4.05 0.90 -3.50 114.93 120.52 1l8y h MET 44 Ca -0.06 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 1l8y h MET 44 Cb 1.35 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.15 1l8y h MET 44 CO 0.04 0.01 0.00 -1.91 0.23 0.00 0.00 176.91 175.28 1l8y n GLU 45 N -2.94 0.00 -0.33 0.39 2.13 -1.12 -2.34 120.64 116.43 1l8y n GLU 45 Ca 0.02 0.00 0.30 0.00 0.66 0.00 0.00 57.16 58.14 1l8y n GLU 45 Cb 0.54 0.00 0.46 0.00 0.27 0.00 0.00 31.44 32.71 1l8y n GLU 45 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1l8y n LYS 46 N 0.00 0.01 0.12 5.31 0.00 -1.26 -2.03 118.16 120.30 1l8y n LYS 46 Ca 0.00 0.79 -0.07 0.00 0.00 0.00 0.00 58.31 59.04 1l8y n LYS 46 Cb 0.00 -1.91 -0.03 0.00 0.00 0.00 0.00 35.03 33.09 1l8y n LYS 46 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1l8y h LYS 47 N 0.00 -0.36 0.00 1.64 3.64 -1.88 -3.17 116.57 116.43 1l8y h LYS 47 Ca 0.53 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.85 1l8y h LYS 47 Cb 2.52 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 34.41 1l8y h LYS 47 CO -0.01 -0.24 -0.53 0.93 -2.27 0.00 0.00 179.45 177.33 1l8y h GLU 48 N -0.38 0.00 -0.66 1.90 4.39 -1.56 -3.33 114.58 114.94 1l8y h GLU 48 Ca -0.03 0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.81 1l8y h GLU 48 Cb 0.32 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 28.84 1l8y h GLU 48 CO -0.00 0.62 -0.15 1.63 -1.16 0.00 0.00 179.01 179.95 1l8y n LYS 49 N -4.58 -0.06 -0.11 2.33 4.01 -1.00 0.11 118.16 118.85 1l8y n LYS 49 Ca -0.15 1.03 -0.13 0.00 -0.51 0.00 0.00 58.31 58.55 1l8y n LYS 49 Cb 0.42 -1.55 -0.03 0.00 -0.51 0.00 0.00 35.03 33.36 1l8y n LYS 49 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1l8y h LEU 50 N 0.00 0.83 -0.43 -0.35 -0.00 -1.74 -2.73 115.31 110.90 1l8y h LEU 50 Ca 0.33 -0.45 -0.18 0.00 -0.00 0.00 0.00 57.88 57.58 1l8y h LEU 50 Cb 0.52 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 40.93 1l8y h LEU 50 CO -0.68 1.11 -0.75 0.24 -0.00 0.00 0.00 178.44 178.36 1l8y h MET 51 N 0.57 0.31 -0.54 1.13 2.86 0.65 -2.97 114.93 116.93 1l8y h MET 51 Ca 0.06 -0.26 -0.04 0.00 -2.06 0.00 0.00 59.70 57.40 1l8y h MET 51 Cb 0.85 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.54 1l8y h MET 51 CO 0.07 0.92 0.16 -1.49 1.06 0.00 0.00 176.91 177.63 1l8y h TRP 52 N 0.20 0.82 0.16 -0.22 4.06 0.30 -2.55 115.95 118.73 1l8y h TRP 52 Ca -0.03 -0.06 -0.00 0.00 2.06 0.00 0.00 58.89 60.85 1l8y h TRP 52 Cb 1.32 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 29.22 1l8y h TRP 52 CO 0.03 0.68 -0.19 0.82 -3.56 0.00 0.00 178.44 176.23 1l8y h ILE 53 N 0.79 0.00 -0.98 1.49 2.04 -1.34 -2.39 117.51 117.12 1l8y h ILE 53 Ca 0.18 0.00 0.28 0.00 1.00 0.00 0.00 64.86 66.32 1l8y h ILE 53 Cb 0.25 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.29 1l8y h ILE 53 CO -0.01 0.00 0.81 0.50 0.00 0.00 0.00 178.15 179.45 1l8y h LYS 54 N -0.35 0.00 0.44 2.37 1.63 -1.37 2.93 116.57 122.21 1l8y h LYS 54 Ca -0.02 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.76 1l8y h LYS 54 Cb 0.31 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 1l8y h LYS 54 CO -0.03 0.00 -0.21 -0.22 -3.45 0.00 0.00 179.45 175.54 1l8y h LYS 55 N 0.00 -0.57 0.00 1.90 3.64 -1.01 1.17 116.57 121.70 1l8y h LYS 55 Ca 0.46 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.88 1l8y h LYS 55 Cb 2.08 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 34.03 1l8y h LYS 55 CO -0.00 -0.30 -0.42 0.00 -2.27 0.00 0.00 179.45 176.46 1l8y h ALA 56 N -0.27 0.74 0.00 5.00 0.00 -0.94 -2.58 119.26 121.22 1l8y h ALA 56 Ca -0.06 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.68 1l8y h ALA 56 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1l8y h ALA 56 CO 0.10 0.00 -0.80 0.00 0.00 0.00 0.00 179.25 178.55 1l8y h ALA 57 N 2.37 0.67 0.00 0.00 0.00 0.54 1.73 119.26 124.56 1l8y h ALA 57 Ca 0.00 -0.73 -0.15 0.00 0.00 0.00 0.00 54.91 54.03 1l8y h ALA 57 Cb 0.82 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1l8y h ALA 57 CO 0.00 1.00 -0.72 1.49 0.00 0.00 0.00 179.25 181.02 1l8y h GLU 58 N 0.00 0.00 0.00 0.00 4.57 0.15 -3.28 114.58 116.01 1l8y h GLU 58 Ca -0.01 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1l8y h GLU 58 Cb 1.43 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.02 1l8y h GLU 58 CO 0.10 0.72 -0.00 0.22 -1.18 0.00 0.00 179.01 178.88 1l8y h ASP 59 N 0.00 -0.00 -1.01 1.04 3.58 -0.96 -3.31 116.42 115.76 1l8y h ASP 59 Ca -0.01 -0.91 0.29 0.00 0.42 0.00 0.00 57.03 56.82 1l8y h ASP 59 Cb 1.37 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.38 1l8y h ASP 59 CO 0.09 0.92 0.89 0.06 -2.88 0.00 0.00 179.24 178.32 1l8y h GLN 60 N -0.92 0.00 -0.98 0.28 -0.00 0.25 0.29 115.11 114.03 1l8y h GLN 60 Ca -0.00 0.00 0.23 0.00 -0.00 0.00 0.00 58.65 58.88 1l8y h GLN 60 Cb 0.91 0.00 -0.12 0.00 -0.00 0.00 0.00 27.48 28.27 1l8y h GLN 60 CO 0.00 0.00 0.55 -0.22 -0.00 0.00 0.00 178.83 179.16 1l8y h LYS 61 N 0.00 0.54 -0.40 0.06 1.63 -1.65 0.56 116.57 117.31 1l8y h LYS 61 Ca 0.48 -0.03 -0.09 0.00 -0.85 0.00 0.00 60.65 60.16 1l8y h LYS 61 Cb 2.25 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 33.74 1l8y h LYS 61 CO -0.01 0.36 -0.11 0.00 -3.45 0.00 0.00 179.45 176.25 1l8y h ARG 62 N 0.56 0.71 -0.16 1.90 3.08 -0.65 -2.98 114.38 116.83 1l8y h ARG 62 Ca 0.62 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 60.39 1l8y h ARG 62 Cb 1.15 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.13 1l8y h ARG 62 CO -0.48 0.80 -0.08 0.10 -1.07 0.00 0.00 179.97 179.24 1l8y h TYR 63 N 0.65 0.39 -0.49 3.04 -0.00 -0.07 -2.86 116.97 117.62 1l8y h TYR 63 Ca 0.11 -0.10 0.10 0.00 0.00 0.00 0.00 58.73 58.84 1l8y h TYR 63 Cb 0.56 -0.09 -0.09 0.00 0.00 0.00 0.00 36.73 37.11 1l8y h TYR 63 CO 0.03 0.66 -0.13 0.93 -0.00 0.00 0.00 178.16 179.65 1l8y h GLU 64 N 0.01 -0.01 0.00 0.10 5.08 -0.93 1.16 114.58 119.98 1l8y h GLU 64 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1l8y h GLU 64 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1l8y h GLU 64 CO 0.02 -0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.57 1l8y n ARG 65 N -5.36 0.16 -0.06 2.33 3.00 -1.14 -1.86 116.66 113.73 1l8y n ARG 65 Ca 0.04 0.18 -0.01 0.00 -0.01 0.00 0.00 57.85 58.05 1l8y n ARG 65 Cb 0.27 -1.50 -0.16 0.00 0.00 0.00 0.00 32.46 31.06 1l8y n ARG 65 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 1l8y n GLU 66 N -1.32 0.69 0.00 5.56 0.00 0.35 -3.03 120.64 122.89 1l8y n GLU 66 Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 57.16 57.13 1l8y n GLU 66 Cb 0.11 -1.52 0.00 0.00 0.00 0.00 0.00 31.44 30.04 1l8y n GLU 66 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1l8y n LEU 67 N -2.54 1.68 -0.01 4.31 7.94 0.14 -3.23 117.00 125.28 1l8y n LEU 67 Ca -0.21 0.11 -0.17 0.00 -1.11 0.00 0.00 56.01 54.63 1l8y n LEU 67 Cb 0.91 -0.14 -0.09 0.00 0.53 0.00 0.00 43.42 44.63 1l8y n LEU 67 CO 0.44 -0.14 0.28 -1.28 -1.11 0.00 0.00 177.39 175.58 1l8y h SER 68 N 0.00 0.73 0.54 1.96 0.87 -1.77 -2.10 113.55 113.79 1l8y h SER 68 Ca 0.00 -0.67 0.00 0.00 -1.23 0.00 0.00 61.79 59.89 1l8y h SER 68 Cb 0.00 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 1l8y h SER 68 CO 0.00 1.29 0.00 -0.62 -0.53 0.00 0.00 176.83 176.97 1l8y n GLU 69 N -4.10 0.13 -0.31 2.24 -0.58 -1.21 -3.67 120.64 113.13 1l8y n GLU 69 Ca -0.09 0.13 0.17 0.00 -0.42 0.00 0.00 57.16 56.96 1l8y n GLU 69 Cb 0.69 -1.50 0.33 0.00 -0.57 0.00 0.00 31.44 30.39 1l8y n GLU 69 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 1l8y n MET 70 N -1.40 -0.07 -1.04 3.49 0.00 -1.08 -1.09 117.12 115.93 1l8y n MET 70 Ca 0.07 1.34 0.05 0.00 -0.00 0.00 0.00 57.70 59.16 1l8y n MET 70 Cb 0.20 -2.19 0.11 0.00 0.00 0.00 0.00 33.22 31.34 1l8y n MET 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1l8y n ARG 71 N -5.28 0.78 -2.71 2.12 3.00 -1.24 -4.83 116.66 108.49 1l8y n ARG 71 Ca 0.24 -2.63 -0.08 0.00 -0.01 0.00 0.00 57.85 55.38 1l8y n ARG 71 Cb 0.81 -0.80 0.11 0.00 0.00 0.00 0.00 32.46 32.58 1l8y n ARG 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1l8y n ALA 72 N -0.30 1.11 -0.16 7.54 0.00 -0.25 -4.99 120.51 123.46 1l8y n ALA 72 Ca 0.12 -1.48 -0.03 0.00 0.00 0.00 0.00 53.44 52.05 1l8y n ALA 72 Cb 0.92 -1.02 0.06 0.00 0.00 0.00 0.00 19.45 19.41 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 2.24 0.35 -0.97 0.00 0.11 -1.84 -1.52 132.00 130.37 1l8y h PRO 73 Ca -0.23 -0.02 -0.32 0.00 0.11 0.00 0.00 66.00 65.53 1l8y h PRO 73 Cb 1.26 -0.08 -0.19 0.00 0.11 0.00 0.00 31.00 32.10 1l8y h PRO 73 CO 0.01 0.23 0.41 -0.35 -0.21 0.00 0.00 178.00 178.09 1l8y n PRO 74 N -4.99 2.02 -1.37 1.05 -0.04 -1.26 -4.24 135.00 126.16 1l8y n PRO 74 Ca 0.05 -2.06 -0.09 0.00 -0.04 0.00 0.00 63.50 61.36 1l8y n PRO 74 Cb 0.19 -1.82 0.11 0.00 -0.04 0.00 0.00 33.50 31.94 1l8y n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1l8y n ALA 75 N -0.52 4.31 -1.88 0.55 0.00 -0.57 -3.57 120.51 118.82 1l8y n ALA 75 Ca 0.39 -3.53 -0.05 0.00 0.00 0.00 0.00 53.44 50.25 1l8y n ALA 75 Cb 1.27 -0.35 -0.05 0.00 0.00 0.00 0.00 19.45 20.31 1l8y n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l8y n ALA 76 N -0.88 2.54 0.00 0.00 0.00 -1.26 -4.95 120.51 115.96 1l8y n ALA 76 Ca 0.31 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1l8y n ALA 76 Cb 0.84 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1l8y n ALA 76 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1l8y n THR 77 N 0.00 0.00 -1.93 0.00 -2.24 -1.26 -4.90 114.28 103.94 1l8y n THR 77 Ca -0.21 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.31 1l8y n THR 77 Cb 0.59 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.85 1l8y n THR 77 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1l8y n ASN 78 N 0.00 5.42 0.13 3.42 2.85 -1.26 -4.45 115.26 121.38 1l8y n ASN 78 Ca 0.00 -3.76 0.00 0.00 -0.11 0.00 0.00 54.58 50.71 1l8y n ASN 78 Cb 0.00 -0.47 0.00 0.00 1.24 0.00 0.00 39.78 40.55 1l8y n ASN 78 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1l8y n SER 79 N -0.73 -0.09 -1.12 1.20 2.88 -1.23 -4.80 113.62 109.74 1l8y n SER 79 Ca 0.47 0.45 -0.06 0.00 -1.33 0.00 0.00 58.87 58.40 1l8y n SER 79 Cb 0.89 0.35 -0.05 0.00 -0.75 0.00 0.00 64.21 64.64 1l8y n SER 79 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1l8y n SER 80 N -3.43 -0.78 -4.95 -3.46 7.64 -1.26 -5.09 113.62 102.28 1l8y n SER 80 Ca 0.00 -2.01 -0.23 0.00 1.01 0.00 0.00 58.87 57.65 1l8y n SER 80 Cb 0.00 0.24 0.02 0.00 -1.01 0.00 0.00 64.21 63.46 1l8y n SER 80 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1l8y s LYS 81 N -0.01 2.34 -0.39 1.43 -0.14 -1.26 -5.01 119.74 116.70 1l8y s LYS 81 Ca 0.04 -1.78 0.05 0.00 -1.36 0.00 0.00 55.97 52.92 1l8y s LYS 81 Cb 0.06 -2.37 0.16 0.00 -1.68 0.00 0.00 37.83 34.00 1l8y s LYS 81 CO -0.02 -0.64 0.45 0.21 -0.76 0.00 0.00 175.35 174.59 1l8y s LYS 82 N -4.41 0.70 -0.51 1.68 2.36 -1.26 -4.91 119.74 113.39 1l8y s LYS 82 Ca 0.47 -0.74 0.07 0.00 -2.55 0.00 0.00 55.97 53.22 1l8y s LYS 82 Cb -0.04 -0.52 0.19 0.00 -1.05 0.00 0.00 37.83 36.41 1l8y s LYS 82 CO 0.29 -1.20 0.72 -0.48 1.55 0.00 0.00 175.35 176.23 1l8y s LEU 83 N 1.49 -1.42 0.00 5.43 0.05 -1.26 -5.17 118.68 117.79 1l8y s LEU 83 Ca 0.17 -1.72 0.11 0.00 0.05 0.00 0.00 54.13 52.74 1l8y s LEU 83 Cb -0.12 1.88 0.63 0.00 -2.05 0.00 0.00 46.19 46.53 1l8y s LEU 83 CO -0.04 -0.06 1.07 -1.84 -0.55 0.00 0.00 176.35 174.94