#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 0.00 -3.21 1.61 4.76 0.35 -4.78 118.16 116.88 1l8y n LYS 2 Ca 0.00 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.22 1l8y n LYS 2 Cb 0.00 -0.24 -0.07 0.00 -1.84 0.00 0.00 35.03 32.89 1l8y n LYS 2 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1l8y n LEU 3 N 0.00 -0.97 -4.60 -0.35 4.32 -1.26 -4.90 117.00 109.24 1l8y n LEU 3 Ca 0.00 -4.15 -0.43 0.00 -0.02 0.00 0.00 56.01 51.41 1l8y n LEU 3 Cb 0.00 0.62 -0.02 0.00 -1.62 0.00 0.00 43.42 42.40 1l8y n LEU 3 CO 0.00 1.92 1.09 -2.16 -1.22 0.00 0.00 177.39 177.02 1l8y s PRO 4 N -0.03 3.67 0.00 3.23 0.04 -1.26 -4.80 135.00 135.85 1l8y s PRO 4 Ca 0.33 0.64 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1l8y s PRO 4 Cb 0.07 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.67 1l8y s PRO 4 CO -0.16 -1.45 0.00 -1.91 0.04 0.00 0.00 177.00 173.52 1l8y n GLU 5 N 7.94 0.00 0.00 4.56 2.13 -1.26 -4.96 120.64 129.05 1l8y n GLU 5 Ca 0.13 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.95 1l8y n GLU 5 Cb 0.49 -0.11 0.00 0.00 0.27 0.00 0.00 31.44 32.09 1l8y n GLU 5 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1l8y n SER 6 N 0.00 0.00 -3.13 4.31 3.41 -1.26 -5.06 113.62 111.90 1l8y n SER 6 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.43 1l8y n SER 6 Cb 0.00 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.11 1l8y n SER 6 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1l8y n PRO 7 N 0.00 -2.76 -0.75 4.33 -0.04 -1.26 -5.02 135.00 129.50 1l8y n PRO 7 Ca 0.00 -0.98 -0.02 0.00 -0.04 0.00 0.00 63.50 62.46 1l8y n PRO 7 Cb 0.00 -1.02 -0.03 0.00 -0.04 0.00 0.00 33.50 32.41 1l8y n PRO 7 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1l8y n LYS 8 N -3.75 0.00 0.00 0.54 4.76 -1.01 -4.95 118.16 113.75 1l8y n LYS 8 Ca 0.09 -0.56 0.00 0.00 -2.87 0.00 0.00 58.31 54.96 1l8y n LYS 8 Cb 0.35 0.16 0.00 0.00 -1.84 0.00 0.00 35.03 33.70 1l8y n LYS 8 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1l8y n ARG 9 N 0.03 0.00 0.00 1.97 5.12 0.20 -2.95 116.66 121.03 1l8y n ARG 9 Ca -0.10 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.82 1l8y n ARG 9 Cb 0.63 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.93 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 5.40 -0.15 0.31 7.54 0.00 -1.19 -2.70 120.51 129.72 1l8y n ALA 10 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 1l8y n ALA 10 Cb 0.00 0.00 0.93 0.00 0.00 0.00 0.00 19.45 20.38 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 -1.69 -2.32 114.58 115.65 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 -0.00 -0.38 2.33 4.57 0.60 -2.33 114.58 119.36 1l8y h GLU 12 Ca 0.02 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.28 1l8y h GLU 12 Cb 0.49 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.99 1l8y h GLU 12 CO -0.00 -0.00 -0.21 0.97 -1.18 0.00 0.00 179.01 178.59 1l8y h ILE 13 N -0.13 0.40 0.33 2.32 6.09 0.43 -2.76 117.51 124.19 1l8y h ILE 13 Ca -0.00 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.47 1l8y h ILE 13 Cb 0.00 0.40 0.00 0.00 0.47 0.00 0.00 36.82 37.70 1l8y h ILE 13 CO 0.00 0.00 -0.16 -0.25 -3.07 0.00 0.00 178.15 174.67 1l8y h TRP 14 N -0.15 -0.41 -0.35 2.19 7.01 -1.61 -2.32 115.95 120.31 1l8y h TRP 14 Ca 0.19 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.22 1l8y h TRP 14 Cb 0.44 0.13 -0.06 0.00 -2.10 0.00 0.00 29.16 27.58 1l8y h TRP 14 CO -0.44 -0.10 -0.33 0.37 -2.79 0.00 0.00 178.44 175.15 1l8y h GLN 15 N -1.00 -0.15 -0.77 2.65 4.15 -1.40 1.04 115.11 119.63 1l8y h GLN 15 Ca -0.04 0.01 0.21 0.00 0.77 0.00 0.00 58.65 59.60 1l8y h GLN 15 Cb 0.49 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.18 1l8y h GLN 15 CO 0.07 -0.10 0.55 1.96 -1.93 0.00 0.00 178.83 179.38 1l8y h GLN 16 N -0.15 0.06 -0.17 1.69 1.08 -1.63 1.06 115.11 117.05 1l8y h GLN 16 Ca 0.06 -0.00 -0.13 0.00 -1.45 0.00 0.00 58.65 57.13 1l8y h GLN 16 Cb 0.31 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1l8y h GLN 16 CO -0.41 0.04 -0.39 1.03 -0.95 0.00 0.00 178.83 178.15 1l8y h SER 17 N 0.07 0.64 0.00 1.46 0.87 0.13 -3.34 113.55 113.38 1l8y h SER 17 Ca 0.37 -0.57 -0.13 0.00 -1.23 0.00 0.00 61.79 60.24 1l8y h SER 17 Cb 1.38 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 63.14 1l8y h SER 17 CO -0.03 1.09 -1.07 1.33 -0.53 0.00 0.00 176.83 177.62 1l8y n VAL 18 N -4.28 1.48 -0.43 2.23 0.24 0.24 -4.39 118.33 113.42 1l8y n VAL 18 Ca -0.06 0.06 0.35 0.00 -2.04 0.00 0.00 64.34 62.64 1l8y n VAL 18 Cb 0.53 -2.22 0.57 0.00 -1.47 0.00 0.00 33.84 31.26 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 -4.49 -0.14 -0.23 1.34 3.06 0.35 0.15 119.36 119.40 1l8y n ILE 19 Ca -0.22 1.36 -0.08 0.00 -2.50 0.00 0.00 62.75 61.31 1l8y n ILE 19 Cb 0.51 -2.24 0.03 0.00 0.54 0.00 0.00 39.64 38.48 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 1.12 1.73 4.50 0.00 -1.72 0.82 103.07 109.52 1l8y h GLY 20 Ca 0.71 -0.73 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 1l8y h GLY 20 CO -0.27 0.68 -0.36 -1.80 0.00 0.00 0.00 176.54 174.79 1l8y h ASP 21 N 0.96 0.00 0.14 0.19 1.82 0.11 -2.63 116.42 117.01 1l8y h ASP 21 Ca 0.19 0.00 -0.26 0.00 -0.39 0.00 0.00 57.03 56.58 1l8y h ASP 21 Cb 0.41 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.43 1l8y h ASP 21 CO 0.01 0.10 -1.24 1.88 -1.61 0.00 0.00 179.24 178.37 1l8y h TYR 22 N 0.00 0.55 0.00 0.28 0.05 -0.86 -3.01 116.97 113.98 1l8y h TYR 22 Ca -0.01 -0.40 -0.05 0.00 0.05 0.00 0.00 58.73 58.32 1l8y h TYR 22 Cb 1.08 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.79 1l8y h TYR 22 CO 0.00 1.48 -0.25 -0.07 -1.05 0.00 0.00 178.16 178.27 1l8y h LEU 23 N -0.26 0.00 -0.04 3.88 3.38 0.57 -3.18 115.31 119.66 1l8y h LEU 23 Ca -0.25 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 1l8y h LEU 23 Cb 1.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.54 1l8y h LEU 23 CO 0.12 0.25 -0.25 0.00 0.09 0.00 0.00 178.44 178.65 1l8y h ALA 24 N 1.75 0.08 -1.00 1.53 0.00 -1.55 0.24 119.26 120.31 1l8y h ALA 24 Ca -0.00 -0.43 0.26 0.00 0.00 0.00 0.00 54.91 54.73 1l8y h ALA 24 Cb 0.72 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.38 1l8y h ALA 24 CO 0.03 0.10 0.58 0.07 0.00 0.00 0.00 179.25 180.04 1l8y h ARG 25 N -0.33 0.52 0.00 0.00 0.11 -1.50 -1.99 114.38 111.19 1l8y h ARG 25 Ca -0.02 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.03 1l8y h ARG 25 Cb 0.93 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 31.89 1l8y h ARG 25 CO 0.05 0.34 -0.03 0.34 0.10 0.00 0.00 179.97 180.78 1l8y n PHE 26 N -4.92 0.00 -4.06 4.08 7.35 -1.25 -5.00 117.46 113.66 1l8y n PHE 26 Ca 0.27 -0.79 -0.34 0.00 -0.76 0.00 0.00 57.45 55.84 1l8y n PHE 26 Cb 0.78 -0.11 -0.03 0.00 0.35 0.00 0.00 39.48 40.47 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 -1.07 -1.41 0.00 -4.13 0.00 -0.10 -4.08 118.16 107.37 1l8y n LYS 27 Ca 0.10 0.22 0.00 0.00 0.00 0.00 0.00 58.31 58.64 1l8y n LYS 27 Cb 0.53 -3.62 0.00 0.00 0.00 0.00 0.00 35.03 31.94 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 -2.68 0.00 0.00 3.14 2.85 0.66 -5.01 115.26 114.22 1l8y n ASN 28 Ca -0.23 0.00 0.12 0.00 -0.11 0.00 0.00 54.58 54.36 1l8y n ASN 28 Cb 0.64 0.00 0.63 0.00 1.24 0.00 0.00 39.78 42.29 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 -1.23 -4.39 116.55 114.15 1l8y n ASP 29 Ca 0.00 -0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.06 1l8y n ASP 29 Cb 0.00 -0.21 0.00 0.00 -0.72 0.00 0.00 41.12 40.19 1l8y n ASP 29 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1l8y n ARG 30 N -1.21 0.00 -0.23 -0.67 0.00 -1.26 0.23 116.66 113.53 1l8y n ARG 30 Ca 0.13 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.96 1l8y n ARG 30 Cb 0.16 0.00 0.04 0.00 0.00 0.00 0.00 32.46 32.66 1l8y n ARG 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1l8y h VAL 31 N 0.00 0.22 0.00 5.15 2.07 -1.98 0.65 116.25 122.36 1l8y h VAL 31 Ca 0.00 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.40 1l8y h VAL 31 Cb 0.00 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 1l8y h VAL 31 CO 0.00 0.00 -0.63 0.11 0.02 0.00 0.00 177.57 177.07 1l8y h LYS 32 N -0.08 0.00 0.15 1.57 1.57 0.26 -3.30 116.57 116.74 1l8y h LYS 32 Ca 0.29 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.06 1l8y h LYS 32 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1l8y h LYS 32 CO -0.71 0.50 -0.07 0.00 -0.57 0.00 0.00 179.45 178.59 1l8y h ALA 33 N 1.47 -0.20 -0.62 3.86 0.00 0.21 0.56 119.26 124.54 1l8y h ALA 33 Ca -0.02 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.85 1l8y h ALA 33 Cb 1.42 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.25 1l8y h ALA 33 CO 0.07 -0.52 0.41 1.25 0.00 0.00 0.00 179.25 180.46 1l8y h LEU 34 N -0.40 0.46 0.07 0.00 6.46 0.01 -2.24 115.31 119.68 1l8y h LEU 34 Ca -0.02 0.01 -0.17 0.00 -0.12 0.00 0.00 57.88 57.58 1l8y h LEU 34 Cb 0.31 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.15 1l8y h LEU 34 CO 0.03 0.29 -0.82 0.11 -0.62 0.00 0.00 178.44 177.44 1l8y h LYS 35 N 0.52 0.16 -0.82 1.25 1.79 -1.59 -0.92 116.57 116.96 1l8y h LYS 35 Ca 0.28 -0.27 0.24 0.00 -2.18 0.00 0.00 60.65 58.72 1l8y h LYS 35 Cb 0.42 0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.14 1l8y h LYS 35 CO -0.08 1.13 0.69 0.00 -1.08 0.00 0.00 179.45 180.11 1l8y h ALA 36 N -0.06 2.67 0.08 3.86 0.00 0.38 0.78 119.26 126.99 1l8y h ALA 36 Ca -0.18 -0.03 -0.37 0.00 0.00 0.00 0.00 54.91 54.34 1l8y h ALA 36 Cb 1.45 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 1l8y h ALA 36 CO 0.03 -1.11 -2.11 -0.12 0.00 0.00 0.00 179.25 175.94 1l8y n MET 37 N -3.93 0.72 0.14 0.00 0.00 -0.87 -3.68 117.12 109.50 1l8y n MET 37 Ca 0.17 0.25 -0.06 0.00 -0.00 0.00 0.00 57.70 58.05 1l8y n MET 37 Cb 0.98 -1.66 -0.03 0.00 0.00 0.00 0.00 33.22 32.51 1l8y n MET 37 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1l8y h GLU 38 N -0.02 -0.36 -0.55 2.12 5.08 0.56 -1.80 114.58 119.61 1l8y h GLU 38 Ca -0.47 0.02 0.08 0.00 -1.00 0.00 0.00 59.36 57.99 1l8y h GLU 38 Cb 1.96 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 31.23 1l8y h GLU 38 CO 0.02 -0.24 0.21 0.52 -1.00 0.00 0.00 179.01 178.52 1l8y h MET 39 N -0.38 0.39 -0.02 2.33 2.86 -1.45 0.41 114.93 119.08 1l8y h MET 39 Ca -0.03 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1l8y h MET 39 Cb 0.30 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 1l8y h MET 39 CO 0.04 0.26 0.11 1.15 1.06 0.00 0.00 176.91 179.53 1l8y h THR 40 N 0.40 0.07 0.00 2.22 2.02 -1.62 -1.54 112.91 114.46 1l8y h THR 40 Ca 0.27 0.00 -0.38 0.00 0.77 0.00 0.00 66.41 67.07 1l8y h THR 40 Cb 0.29 0.89 -0.07 0.00 -1.74 0.00 0.00 68.15 67.52 1l8y h THR 40 CO -0.26 0.00 -2.44 1.87 0.37 0.00 0.00 175.52 175.07 1l8y n TRP 41 N -3.13 0.00 1.66 3.16 -0.00 0.03 -4.06 117.44 115.10 1l8y n TRP 41 Ca -0.02 0.00 0.13 0.00 -0.00 0.00 0.00 57.50 57.60 1l8y n TRP 41 Cb 0.18 -0.99 0.76 0.00 -0.00 0.00 0.00 31.31 31.25 1l8y n TRP 41 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1l8y n ASN 42 N -3.06 0.00 -0.04 5.87 3.02 0.12 -3.19 115.26 117.98 1l8y n ASN 42 Ca -0.41 -0.86 -0.03 0.00 -0.03 0.00 0.00 54.58 53.25 1l8y n ASN 42 Cb 1.05 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 40.15 1l8y n ASN 42 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 1l8y n ASN 43 N -0.98 2.94 0.03 6.41 0.23 -0.65 -4.54 115.26 118.70 1l8y n ASN 43 Ca 0.19 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.35 1l8y n ASN 43 Cb 0.09 0.82 0.47 0.00 -2.08 0.00 0.00 39.78 39.07 1l8y n ASN 43 CO 0.00 0.00 0.00 0.80 -0.93 0.00 0.00 177.26 177.13 1l8y n MET 44 N -2.23 0.07 0.00 -3.83 1.56 -1.19 -5.00 117.12 106.49 1l8y n MET 44 Ca -0.12 0.18 0.00 0.00 -0.27 0.00 0.00 57.70 57.49 1l8y n MET 44 Cb 0.69 -1.60 0.00 0.00 2.15 0.00 0.00 33.22 34.46 1l8y n MET 44 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1l8y n GLU 45 N -1.72 0.00 -0.14 2.12 -0.58 -1.24 -3.05 120.64 116.02 1l8y n GLU 45 Ca 0.05 0.00 0.28 0.00 -0.42 0.00 0.00 57.16 57.07 1l8y n GLU 45 Cb 0.28 0.00 0.62 0.00 -0.57 0.00 0.00 31.44 31.77 1l8y n GLU 45 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1l8y h LYS 46 N 0.00 0.00 0.17 3.49 3.11 -1.94 -2.64 116.57 118.76 1l8y h LYS 46 Ca 0.00 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1l8y h LYS 46 Cb 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.22 1l8y h LYS 46 CO 0.00 0.00 -0.24 -0.22 -2.81 0.00 0.00 179.45 176.18 1l8y h LYS 47 N 0.00 -0.41 0.00 1.90 3.64 -1.94 -3.05 116.57 116.71 1l8y h LYS 47 Ca 0.42 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 1l8y h LYS 47 Cb 2.20 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 34.12 1l8y h LYS 47 CO -0.00 -0.28 0.00 0.39 -2.27 0.00 0.00 179.45 177.29 1l8y n GLU 48 N -3.81 0.00 0.00 1.90 -0.58 -1.01 -3.39 120.64 113.76 1l8y n GLU 48 Ca -0.05 0.25 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 1l8y n GLU 48 Cb 0.21 -0.83 0.00 0.00 -0.57 0.00 0.00 31.44 30.25 1l8y n GLU 48 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1l8y n LYS 49 N -1.25 0.00 0.22 3.49 5.02 -1.14 0.33 118.16 124.82 1l8y n LYS 49 Ca 0.00 0.21 -0.17 0.00 -2.02 0.00 0.00 58.31 56.33 1l8y n LYS 49 Cb 0.00 -0.32 -0.09 0.00 -0.02 0.00 0.00 35.03 34.59 1l8y n LYS 49 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1l8y h LEU 50 N 0.00 -1.41 -2.09 -0.35 7.12 -1.74 -2.28 115.31 114.57 1l8y h LEU 50 Ca 0.00 0.13 0.08 0.00 0.13 0.00 0.00 57.88 58.22 1l8y h LEU 50 Cb 0.00 0.49 -0.01 0.00 -0.53 0.00 0.00 40.66 40.61 1l8y h LEU 50 CO 0.00 -0.60 0.23 0.24 -0.13 0.00 0.00 178.44 178.18 1l8y h MET 51 N -0.88 0.00 -0.14 1.25 2.86 -1.13 0.34 114.93 117.24 1l8y h MET 51 Ca -0.04 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.53 1l8y h MET 51 Cb 0.80 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.45 1l8y h MET 51 CO -0.14 0.00 -0.24 -1.49 1.06 0.00 0.00 176.91 176.10 1l8y h TRP 52 N 0.00 0.26 0.29 -0.22 4.06 0.43 -2.82 115.95 117.96 1l8y h TRP 52 Ca 0.13 -0.04 -0.00 0.00 2.06 0.00 0.00 58.89 61.04 1l8y h TRP 52 Cb 0.60 -0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 28.67 1l8y h TRP 52 CO 0.00 0.47 -0.41 0.82 -3.56 0.00 0.00 178.44 175.76 1l8y h ILE 53 N 0.22 0.00 -0.41 1.49 2.04 0.08 -2.58 117.51 118.36 1l8y h ILE 53 Ca 0.04 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.97 1l8y h ILE 53 Cb 0.55 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 1l8y h ILE 53 CO 0.04 0.00 0.28 0.50 0.00 0.00 0.00 178.15 178.97 1l8y h LYS 54 N -0.73 0.23 -0.24 2.37 3.64 -1.52 1.59 116.57 121.91 1l8y h LYS 54 Ca -0.03 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1l8y h LYS 54 Cb 0.66 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 1l8y h LYS 54 CO -0.11 0.15 0.08 -0.22 -2.27 0.00 0.00 179.45 177.08 1l8y h LYS 55 N 0.23 0.19 0.00 1.90 3.64 -1.21 1.75 116.57 123.07 1l8y h LYS 55 Ca 0.19 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1l8y h LYS 55 Cb 0.44 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 1l8y h LYS 55 CO -0.03 0.12 -0.82 0.00 -2.27 0.00 0.00 179.45 176.45 1l8y h ALA 56 N 1.15 0.58 0.00 5.00 0.00 -1.17 -2.49 119.26 122.33 1l8y h ALA 56 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 1l8y h ALA 56 Cb 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1l8y h ALA 56 CO -0.11 0.00 -0.75 0.00 0.00 0.00 0.00 179.25 178.39 1l8y h ALA 57 N 2.04 0.72 0.01 0.00 0.00 0.28 2.05 119.26 124.37 1l8y h ALA 57 Ca 0.00 -0.68 -0.20 0.00 0.00 0.00 0.00 54.91 54.02 1l8y h ALA 57 Cb 0.98 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1l8y h ALA 57 CO 0.00 0.94 -0.94 1.49 0.00 0.00 0.00 179.25 180.74 1l8y h GLU 58 N 0.00 0.08 0.00 0.00 4.81 0.26 -2.97 114.58 116.75 1l8y h GLU 58 Ca -0.01 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 59.06 1l8y h GLU 58 Cb 1.36 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.77 1l8y h GLU 58 CO 0.10 0.95 -0.43 -0.44 -0.73 0.00 0.00 179.01 178.46 1l8y h ASP 59 N 0.03 0.00 -0.29 1.04 5.19 -0.95 -3.25 116.42 118.20 1l8y h ASP 59 Ca -0.03 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.46 1l8y h ASP 59 Cb 1.62 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.12 1l8y h ASP 59 CO 0.13 0.30 0.40 -0.61 -3.12 0.00 0.00 179.24 176.34 1l8y h GLN 60 N 0.00 0.00 -0.13 3.56 4.15 0.35 0.46 115.11 123.49 1l8y h GLN 60 Ca -0.02 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.44 1l8y h GLN 60 Cb 1.24 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.92 1l8y h GLN 60 CO 0.04 0.00 0.22 0.87 -1.93 0.00 0.00 178.83 178.02 1l8y h LYS 61 N 0.00 0.00 0.54 1.69 1.57 -1.69 -1.77 116.57 116.91 1l8y h LYS 61 Ca 0.14 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1l8y h LYS 61 Cb 0.94 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.25 1l8y h LYS 61 CO -0.00 0.00 -0.26 0.00 -0.57 0.00 0.00 179.45 178.62 1l8y h ARG 62 N 0.00 -0.70 -1.00 3.15 3.08 -0.35 -1.84 114.38 116.73 1l8y h ARG 62 Ca 0.06 0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.18 1l8y h ARG 62 Cb 0.49 0.16 -0.05 0.00 0.08 0.00 0.00 29.97 30.65 1l8y h ARG 62 CO -0.00 -0.47 0.66 0.10 -1.07 0.00 0.00 179.97 179.19 1l8y h TYR 63 N -0.98 1.24 -0.30 3.04 -0.00 -1.64 -2.62 116.97 115.72 1l8y h TYR 63 Ca -0.07 0.03 0.05 0.00 -0.00 0.00 0.00 58.73 58.74 1l8y h TYR 63 Cb 0.56 -0.42 -0.05 0.00 -0.00 0.00 0.00 36.73 36.83 1l8y h TYR 63 CO 0.03 0.75 0.02 1.49 -0.00 0.00 0.00 178.16 180.45 1l8y h GLU 64 N 1.31 0.11 -0.54 0.10 4.81 -1.37 -1.14 114.58 117.85 1l8y h GLU 64 Ca 0.38 -0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.72 1l8y h GLU 64 Cb -0.09 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 1l8y h GLU 64 CO -0.10 0.07 0.37 0.07 -0.73 0.00 0.00 179.01 178.69 1l8y h ARG 65 N 0.11 0.24 0.00 1.92 0.11 -0.94 0.15 114.38 115.97 1l8y h ARG 65 Ca 0.14 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.21 1l8y h ARG 65 Cb 0.18 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.21 1l8y h ARG 65 CO -0.23 0.16 0.00 0.39 0.10 0.00 0.00 179.97 180.39 1l8y n GLU 66 N -4.45 0.00 -0.19 0.08 -0.58 -0.45 -2.60 120.64 112.45 1l8y n GLU 66 Ca 0.09 0.40 -0.01 0.00 -0.42 0.00 0.00 57.16 57.22 1l8y n GLU 66 Cb 0.44 -1.39 0.07 0.00 -0.57 0.00 0.00 31.44 29.99 1l8y n GLU 66 CO 0.00 0.00 0.00 1.37 -0.48 0.00 0.00 177.13 178.02 1l8y h LEU 67 N 0.00 -0.43 -0.70 -4.62 -0.00 -1.35 1.05 115.31 109.26 1l8y h LEU 67 Ca 0.00 0.16 0.26 0.00 -0.00 0.00 0.00 57.88 58.30 1l8y h LEU 67 Cb 0.00 0.32 -0.13 0.00 -0.00 0.00 0.00 40.66 40.85 1l8y h LEU 67 CO 0.00 -0.16 0.25 -1.20 -0.00 0.00 0.00 178.44 177.33 1l8y n SER 68 N -5.35 0.13 -0.32 0.17 7.64 0.52 0.11 113.62 116.52 1l8y n SER 68 Ca 0.07 1.17 0.35 0.00 1.01 0.00 0.00 58.87 61.48 1l8y n SER 68 Cb 0.32 -0.52 0.70 0.00 -1.01 0.00 0.00 64.21 63.69 1l8y n SER 68 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1l8y h GLU 69 N 0.00 0.00 -0.97 1.43 4.39 -0.82 0.37 114.58 118.99 1l8y h GLU 69 Ca 0.54 0.00 0.08 0.00 0.34 0.00 0.00 59.36 60.32 1l8y h GLU 69 Cb 1.34 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.92 1l8y h GLU 69 CO -0.58 0.00 0.62 1.98 -1.16 0.00 0.00 179.01 179.87 1l8y h MET 70 N 0.00 1.02 -1.00 2.33 4.05 0.55 -1.53 114.93 120.35 1l8y h MET 70 Ca 0.57 -0.06 -0.67 0.00 -0.28 0.00 0.00 59.70 59.26 1l8y h MET 70 Cb 2.56 -0.23 -0.29 0.00 -0.80 0.00 0.00 31.60 32.84 1l8y h MET 70 CO -0.01 0.68 0.87 -2.13 0.23 0.00 0.00 176.91 176.55 1l8y n ARG 71 N -4.53 2.67 -2.87 0.39 0.63 0.13 -4.53 116.66 108.55 1l8y n ARG 71 Ca 0.16 -3.28 -0.15 0.00 -0.92 0.00 0.00 57.85 53.66 1l8y n ARG 71 Cb 0.25 -2.28 0.00 0.00 0.45 0.00 0.00 32.46 30.88 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 -0.93 3.04 -0.20 5.13 0.00 -0.58 -4.94 120.51 122.04 1l8y n ALA 72 Ca 0.63 -3.41 -0.01 0.00 0.00 0.00 0.00 53.44 50.65 1l8y n ALA 72 Cb 0.71 -0.90 0.09 0.00 0.00 0.00 0.00 19.45 19.36 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 2.97 0.44 -0.98 0.00 0.11 -1.79 -0.96 132.00 131.79 1l8y h PRO 73 Ca 0.02 -0.03 -0.28 0.00 0.11 0.00 0.00 66.00 65.82 1l8y h PRO 73 Cb 1.04 -0.10 -0.17 0.00 0.11 0.00 0.00 31.00 31.88 1l8y h PRO 73 CO 0.54 0.29 0.36 -0.35 -0.21 0.00 0.00 178.00 178.63 1l8y n PRO 74 N -4.95 1.89 -0.90 1.05 -0.04 -1.26 -4.09 135.00 126.70 1l8y n PRO 74 Ca 0.08 -1.79 0.04 0.00 -0.04 0.00 0.00 63.50 61.78 1l8y n PRO 74 Cb 0.23 -1.72 0.16 0.00 -0.04 0.00 0.00 33.50 32.13 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 -0.40 3.48 -2.12 0.55 0.00 -0.36 -2.23 120.51 119.43 1l8y n ALA 75 Ca 0.34 -3.14 -0.06 0.00 0.00 0.00 0.00 53.44 50.58 1l8y n ALA 75 Cb 1.16 -0.43 -0.04 0.00 0.00 0.00 0.00 19.45 20.14 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 -0.77 3.57 0.00 0.00 0.00 -1.26 -4.76 120.51 117.30 1l8y n ALA 76 Ca 0.18 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1l8y n ALA 76 Cb 0.80 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.83 1l8y n ALA 76 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1l8y n THR 77 N -0.18 0.00 -0.13 0.00 5.66 -1.26 -4.63 114.28 113.74 1l8y n THR 77 Ca -0.25 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.51 1l8y n THR 77 Cb 0.75 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.42 1l8y n THR 77 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1l8y n ASN 78 N -0.72 1.97 -2.22 1.09 2.85 -1.26 -3.03 115.26 113.93 1l8y n ASN 78 Ca 0.00 0.14 -0.28 0.00 -0.11 0.00 0.00 54.58 54.33 1l8y n ASN 78 Cb 0.00 -0.64 0.14 0.00 1.24 0.00 0.00 39.78 40.51 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 -3.83 5.35 0.00 1.20 2.88 -0.95 -4.53 113.62 113.75 1l8y n SER 79 Ca -0.51 -3.70 0.00 0.00 -1.33 0.00 0.00 58.87 53.34 1l8y n SER 79 Cb 0.93 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 63.51 1l8y n SER 79 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1l8y n SER 80 N -1.04 0.00 0.00 -3.46 3.41 -1.26 -4.74 113.62 106.53 1l8y n SER 80 Ca 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 1l8y n SER 80 Cb 1.21 0.12 0.00 0.00 -0.26 0.00 0.00 64.21 65.29 1l8y n SER 80 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1l8y n LYS 81 N -1.70 0.00 -1.87 4.33 0.00 -1.17 -1.95 118.16 115.80 1l8y n LYS 81 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 58.31 58.28 1l8y n LYS 81 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 35.03 35.07 1l8y n LYS 81 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1l8y n LYS 82 N 0.00 0.69 -2.56 1.64 4.81 -1.26 -4.50 118.16 116.98 1l8y n LYS 82 Ca 0.00 -0.92 -0.38 0.00 -0.87 0.00 0.00 58.31 56.14 1l8y n LYS 82 Cb 0.00 0.41 -0.04 0.00 0.02 0.00 0.00 35.03 35.41 1l8y n LYS 82 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1l8y s LEU 83 N -2.09 4.28 0.00 3.14 1.02 -0.82 -5.22 118.68 118.99 1l8y s LEU 83 Ca 0.05 2.07 0.16 0.00 0.02 0.00 0.00 54.13 56.43 1l8y s LEU 83 Cb 0.23 -4.01 0.13 0.00 0.02 0.00 0.00 46.19 42.55 1l8y s LEU 83 CO -0.07 -0.34 1.01 1.21 0.02 0.00 0.00 176.35 178.18