#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 -2.04 -1.93 1.61 5.02 -1.26 -4.85 118.16 114.72 1l8y n LYS 2 Ca 0.00 1.56 -0.01 0.00 -2.02 0.00 0.00 58.31 57.85 1l8y n LYS 2 Cb 0.00 -1.89 -0.00 0.00 -0.02 0.00 0.00 35.03 33.12 1l8y n LYS 2 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1l8y n LEU 3 N -1.69 -4.02 -4.40 -0.35 -0.00 -1.26 -4.62 117.00 100.65 1l8y n LEU 3 Ca 0.00 0.60 -0.45 0.00 -0.00 0.00 0.00 56.01 56.16 1l8y n LEU 3 Cb 0.16 -1.85 -0.03 0.00 -0.00 0.00 0.00 43.42 41.70 1l8y n LEU 3 CO 0.00 -1.24 0.63 -2.16 -0.00 0.00 0.00 177.39 174.62 1l8y s PRO 4 N -0.66 3.30 0.00 1.47 0.04 -1.23 -4.20 135.00 133.72 1l8y s PRO 4 Ca -0.03 -1.55 0.00 0.00 0.04 0.00 0.00 61.00 59.47 1l8y s PRO 4 Cb 0.00 -4.48 0.00 0.00 0.04 0.00 0.00 34.50 30.07 1l8y s PRO 4 CO 0.29 -1.61 0.00 -1.91 0.04 0.00 0.00 177.00 173.80 1l8y n GLU 5 N 6.25 3.14 -2.66 4.56 4.07 -1.22 -4.80 120.64 129.98 1l8y n GLU 5 Ca 0.05 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.11 1l8y n GLU 5 Cb 0.45 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.83 1l8y n GLU 5 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1l8y n SER 6 N 0.00 -1.10 -3.78 4.31 7.64 -1.26 -4.64 113.62 114.79 1l8y n SER 6 Ca 0.00 -1.62 0.00 0.00 1.01 0.00 0.00 58.87 58.26 1l8y n SER 6 Cb 0.00 1.02 0.00 0.00 -1.01 0.00 0.00 64.21 64.22 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 -0.35 0.40 -1.34 1.43 -0.02 -1.26 -5.02 135.00 128.84 1l8y n PRO 7 Ca -0.25 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.17 1l8y n PRO 7 Cb 0.66 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 34.11 1l8y n PRO 7 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1l8y n LYS 8 N -0.41 0.27 0.00 -0.52 4.76 -1.21 -4.98 118.16 116.07 1l8y n LYS 8 Ca 0.00 -1.07 0.00 0.00 -2.87 0.00 0.00 58.31 54.37 1l8y n LYS 8 Cb 0.00 0.47 0.00 0.00 -1.84 0.00 0.00 35.03 33.66 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 -0.30 0.00 0.00 1.97 5.12 1.03 -3.20 116.66 121.27 1l8y n ARG 9 Ca -0.25 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.67 1l8y n ARG 9 Cb 0.74 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.04 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 5.09 -0.04 0.16 7.54 0.00 0.15 -2.74 120.51 130.68 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 0.69 0.00 0.00 0.00 0.00 19.45 20.14 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 -1.61 -2.63 114.58 115.43 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 -0.42 2.33 4.22 -0.49 -2.44 114.58 117.78 1l8y h GLU 12 Ca 0.15 0.00 0.09 0.00 0.08 0.00 0.00 59.36 59.67 1l8y h GLU 12 Cb 1.18 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.34 1l8y h GLU 12 CO -0.00 -0.00 -0.24 0.97 -2.18 0.00 0.00 179.01 177.55 1l8y h ILE 13 N -0.16 0.34 0.13 2.32 6.09 -0.86 -2.69 117.51 122.69 1l8y h ILE 13 Ca -0.00 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.48 1l8y h ILE 13 Cb 0.00 0.34 0.00 0.00 0.47 0.00 0.00 36.82 37.64 1l8y h ILE 13 CO 0.00 0.00 -0.06 -0.25 -3.07 0.00 0.00 178.15 174.77 1l8y h TRP 14 N -0.17 -0.17 -0.12 2.19 7.01 -1.67 -2.28 115.95 120.75 1l8y h TRP 14 Ca 0.20 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.21 1l8y h TRP 14 Cb 0.47 0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 27.55 1l8y h TRP 14 CO -0.48 0.30 -0.28 0.37 -2.79 0.00 0.00 178.44 175.56 1l8y h GLN 15 N -0.79 -0.26 -0.61 2.65 4.15 -1.39 0.47 115.11 119.33 1l8y h GLN 15 Ca -0.02 0.02 0.18 0.00 0.77 0.00 0.00 58.65 59.60 1l8y h GLN 15 Cb 0.54 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.27 1l8y h GLN 15 CO 0.03 -0.17 0.46 1.96 -1.93 0.00 0.00 178.83 179.18 1l8y h GLN 16 N -0.27 0.00 -0.26 1.69 1.08 -1.63 1.29 115.11 117.01 1l8y h GLN 16 Ca 0.02 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.11 1l8y h GLN 16 Cb 0.34 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.76 1l8y h GLN 16 CO -0.25 0.00 -0.27 1.03 -0.95 0.00 0.00 178.83 178.38 1l8y h SER 17 N 0.00 0.69 0.00 1.46 0.87 0.24 -3.36 113.55 113.46 1l8y h SER 17 Ca 0.29 -0.48 -0.39 0.00 -1.23 0.00 0.00 61.79 59.98 1l8y h SER 17 Cb 1.21 -0.20 -0.06 0.00 -0.44 0.00 0.00 62.40 62.91 1l8y h SER 17 CO -0.00 1.03 -2.37 1.33 -0.53 0.00 0.00 176.83 176.29 1l8y n VAL 18 N -4.30 1.36 -0.57 2.23 0.24 0.12 -4.51 118.33 112.90 1l8y n VAL 18 Ca -0.04 -0.41 0.45 0.00 -2.04 0.00 0.00 64.34 62.29 1l8y n VAL 18 Cb 0.46 -1.64 0.71 0.00 -1.47 0.00 0.00 33.84 31.91 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 -3.75 -0.11 0.03 1.34 3.06 0.43 0.21 119.36 120.57 1l8y n ILE 19 Ca -0.46 1.54 -0.08 0.00 -2.50 0.00 0.00 62.75 61.25 1l8y n ILE 19 Cb 0.89 -2.54 0.08 0.00 0.54 0.00 0.00 39.64 38.60 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 0.50 0.81 4.50 0.00 -1.72 0.74 103.07 107.90 1l8y h GLY 20 Ca 0.86 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1l8y h GLY 20 CO -0.21 0.53 -0.30 1.34 0.00 0.00 0.00 176.54 177.90 1l8y n ASP 21 N -3.93 0.63 -0.13 0.19 -0.08 0.56 -2.50 116.55 111.28 1l8y n ASP 21 Ca -0.03 -0.46 -0.22 0.00 -1.51 0.00 0.00 54.79 52.57 1l8y n ASP 21 Cb 0.61 0.08 -0.11 0.00 2.34 0.00 0.00 41.12 44.04 1l8y n ASP 21 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1l8y n TYR 22 N -1.11 0.04 0.21 -0.67 4.01 0.06 -4.00 117.16 115.70 1l8y n TYR 22 Ca 0.10 0.01 0.09 0.00 -0.16 0.00 0.00 57.90 57.93 1l8y n TYR 22 Cb 0.33 -1.00 0.41 0.00 -0.31 0.00 0.00 39.34 38.77 1l8y n TYR 22 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1l8y h LEU 23 N -0.36 0.00 -0.03 7.72 3.38 0.37 -3.01 115.31 123.39 1l8y h LEU 23 Ca -0.62 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.35 1l8y h LEU 23 Cb 1.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.55 1l8y h LEU 23 CO -0.21 0.26 0.00 0.00 0.09 0.00 0.00 178.44 178.58 1l8y h ALA 24 N 1.74 1.00 -0.08 1.53 0.00 -1.66 0.21 119.26 121.99 1l8y h ALA 24 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1l8y h ALA 24 Cb 0.81 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.60 1l8y h ALA 24 CO 0.03 0.00 -0.49 0.07 0.00 0.00 0.00 179.25 178.87 1l8y h ARG 25 N 0.00 0.47 -0.14 0.00 0.11 -1.66 -3.34 114.38 109.83 1l8y h ARG 25 Ca 0.00 -0.40 -0.04 0.00 0.10 0.00 0.00 59.98 59.64 1l8y h ARG 25 Cb 0.91 0.09 -0.02 0.00 1.11 0.00 0.00 29.97 32.06 1l8y h ARG 25 CO 0.00 1.04 -0.11 0.34 0.10 0.00 0.00 179.97 181.34 1l8y n PHE 26 N -4.26 0.46 -3.70 4.08 7.35 -1.25 -4.99 117.46 115.14 1l8y n PHE 26 Ca -0.08 -1.19 -0.29 0.00 -0.76 0.00 0.00 57.45 55.12 1l8y n PHE 26 Cb 0.60 -0.28 0.03 0.00 0.35 0.00 0.00 39.48 40.17 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 -1.08 -1.12 0.00 -4.13 0.00 -1.05 -4.10 118.16 106.68 1l8y n LYS 27 Ca 0.21 0.57 0.00 0.00 0.00 0.00 0.00 58.31 59.09 1l8y n LYS 27 Cb 0.79 -3.66 0.00 0.00 0.00 0.00 0.00 35.03 32.16 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 -2.47 0.00 0.00 3.14 5.15 0.69 -5.00 115.26 116.78 1l8y n ASN 28 Ca -0.13 0.00 0.03 0.00 -0.60 0.00 0.00 54.58 53.88 1l8y n ASN 28 Cb 0.60 0.00 0.18 0.00 -0.53 0.00 0.00 39.78 40.02 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 -1.22 -4.52 116.55 114.05 1l8y n ASP 29 Ca 0.00 -1.43 0.00 0.00 0.52 0.00 0.00 54.79 53.88 1l8y n ASP 29 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -0.62 0.00 -0.10 -0.67 3.00 -1.26 0.20 116.66 117.21 1l8y n ARG 30 Ca 0.04 0.00 -0.10 0.00 -0.00 0.00 0.00 57.85 57.79 1l8y n ARG 30 Cb 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.43 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 0.13 0.00 5.15 2.07 -1.98 0.83 116.25 122.45 1l8y h VAL 31 Ca 0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 1l8y h VAL 31 Cb 0.00 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 1l8y h VAL 31 CO 0.00 0.00 -0.31 0.11 0.02 0.00 0.00 177.57 177.39 1l8y h LYS 32 N -0.35 0.00 0.52 1.57 1.79 0.19 -2.93 116.57 117.36 1l8y h LYS 32 Ca 0.13 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.57 1l8y h LYS 32 Cb 0.59 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.24 1l8y h LYS 32 CO -0.54 0.31 -0.25 0.00 -1.08 0.00 0.00 179.45 177.89 1l8y h ALA 33 N 1.69 -0.76 -0.21 3.86 0.00 0.20 0.79 119.26 124.83 1l8y h ALA 33 Ca -0.00 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.81 1l8y h ALA 33 Cb 0.96 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1l8y h ALA 33 CO 0.04 -0.71 0.17 1.25 0.00 0.00 0.00 179.25 180.00 1l8y h LEU 34 N -1.08 0.00 0.00 0.00 6.46 0.44 -1.42 115.31 119.71 1l8y h LEU 34 Ca -0.07 0.00 -0.10 0.00 -0.12 0.00 0.00 57.88 57.59 1l8y h LEU 34 Cb 0.54 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.45 1l8y h LEU 34 CO 0.12 0.00 -0.56 0.11 -0.62 0.00 0.00 178.44 177.48 1l8y h LYS 35 N 0.00 0.00 -0.69 1.25 6.56 -1.49 0.36 116.57 122.56 1l8y h LYS 35 Ca 0.10 0.00 0.20 0.00 -1.06 0.00 0.00 60.65 59.89 1l8y h LYS 35 Cb 0.44 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.08 1l8y h LYS 35 CO -0.00 0.97 0.60 0.00 -2.06 0.00 0.00 179.45 178.96 1l8y h ALA 36 N -0.25 2.53 0.00 3.86 0.00 0.94 0.81 119.26 127.15 1l8y h ALA 36 Ca -0.15 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 1l8y h ALA 36 Cb 1.11 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1l8y h ALA 36 CO -0.09 -0.96 -0.83 1.98 0.00 0.00 0.00 179.25 179.35 1l8y h MET 37 N 0.00 0.00 0.86 0.00 1.85 -1.34 -3.21 114.93 113.09 1l8y h MET 37 Ca 0.33 0.00 -0.04 0.00 -0.61 0.00 0.00 59.70 59.38 1l8y h MET 37 Cb 1.53 0.00 0.01 0.00 0.43 0.00 0.00 31.60 33.57 1l8y h MET 37 CO -0.00 0.92 -0.41 1.49 -0.40 0.00 0.00 176.91 178.50 1l8y h GLU 38 N -1.00 -1.11 -0.50 0.39 4.81 0.75 0.11 114.58 118.04 1l8y h GLU 38 Ca -0.22 0.08 0.14 0.00 -0.13 0.00 0.00 59.36 59.23 1l8y h GLU 38 Cb 1.14 0.25 -0.02 0.00 0.63 0.00 0.00 28.75 30.75 1l8y h GLU 38 CO -0.13 -0.74 0.38 0.52 -0.73 0.00 0.00 179.01 178.30 1l8y h MET 39 N -1.30 0.00 -0.02 1.92 0.00 0.32 0.42 114.93 116.28 1l8y h MET 39 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.58 1l8y h MET 39 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.48 1l8y h MET 39 CO 0.19 0.00 -0.12 2.41 0.00 0.00 0.00 176.91 179.39 1l8y n THR 40 N -4.28 0.00 -0.12 2.22 -1.04 -1.10 -3.32 114.28 106.63 1l8y n THR 40 Ca 0.09 -0.26 -0.23 0.00 -2.04 0.00 0.00 64.05 61.61 1l8y n THR 40 Cb 0.59 0.72 -0.11 0.00 -1.82 0.00 0.00 70.33 69.70 1l8y n THR 40 CO 0.00 0.00 0.00 1.87 -0.64 0.00 0.00 175.07 176.30 1l8y n TRP 41 N 0.13 0.17 0.08 -1.42 -0.00 0.14 -4.32 117.44 112.22 1l8y n TRP 41 Ca 0.15 0.05 -0.17 0.00 -0.00 0.00 0.00 57.50 57.53 1l8y n TRP 41 Cb 0.41 -1.02 -0.14 0.00 -0.00 0.00 0.00 31.31 30.55 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 -0.39 0.45 -0.03 5.87 2.35 -1.51 -3.24 115.58 119.08 1l8y h ASN 42 Ca -0.60 -0.56 0.01 0.00 -0.55 0.00 0.00 56.30 54.61 1l8y h ASN 42 Cb 1.78 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 40.01 1l8y h ASN 42 CO -0.20 1.45 0.06 -0.55 -1.65 0.00 0.00 177.43 176.55 1l8y h ASN 43 N 0.08 0.00 0.19 5.81 -0.00 -1.77 0.14 115.58 120.03 1l8y h ASN 43 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.09 1l8y h ASN 43 Cb 2.02 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 40.34 1l8y h ASN 43 CO 0.19 0.00 -0.52 0.80 -0.00 0.00 0.00 177.43 177.90 1l8y n MET 44 N -3.42 0.56 0.00 4.14 1.56 -1.23 -5.06 117.12 113.67 1l8y n MET 44 Ca -0.02 -0.40 0.00 0.00 -0.27 0.00 0.00 57.70 57.01 1l8y n MET 44 Cb 0.14 -1.49 0.00 0.00 2.15 0.00 0.00 33.22 34.02 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 -0.87 0.00 -0.57 2.12 4.07 0.48 -3.05 120.64 122.81 1l8y n GLU 45 Ca 0.08 0.00 0.47 0.00 -0.06 0.00 0.00 57.16 57.65 1l8y n GLU 45 Cb 0.37 0.00 0.78 0.00 -0.06 0.00 0.00 31.44 32.53 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 0.01 0.03 5.31 3.64 -1.88 -2.34 116.57 121.35 1l8y h LYS 46 Ca 0.00 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1l8y h LYS 46 Cb 0.00 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1l8y h LYS 46 CO 0.00 0.01 -0.19 -0.22 -2.27 0.00 0.00 179.45 176.78 1l8y h LYS 47 N 0.01 -0.26 0.00 1.90 3.11 -1.91 -2.67 116.57 116.76 1l8y h LYS 47 Ca 0.83 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.69 1l8y h LYS 47 Cb 3.22 0.06 0.00 0.00 -1.00 0.00 0.00 32.23 34.51 1l8y h LYS 47 CO -0.07 -0.17 0.00 0.39 -2.81 0.00 0.00 179.45 176.79 1l8y n GLU 48 N -3.54 0.00 0.00 1.90 4.71 -0.89 -3.17 120.64 119.65 1l8y n GLU 48 Ca -0.03 0.17 0.00 0.00 -0.01 0.00 0.00 57.16 57.29 1l8y n GLU 48 Cb 0.15 -0.94 0.00 0.00 -1.01 0.00 0.00 31.44 29.64 1l8y n GLU 48 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1l8y n LYS 49 N -1.01 0.00 -0.02 3.49 5.02 -1.15 -0.51 118.16 123.99 1l8y n LYS 49 Ca 0.00 0.45 -0.11 0.00 -2.02 0.00 0.00 58.31 56.63 1l8y n LYS 49 Cb 0.00 -0.72 -0.05 0.00 -0.02 0.00 0.00 35.03 34.24 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 -1.18 -2.17 -0.35 7.12 -1.68 -1.59 115.31 115.46 1l8y h LEU 50 Ca 0.00 0.17 0.01 0.00 0.13 0.00 0.00 57.88 58.19 1l8y h LEU 50 Cb 0.00 0.50 -0.00 0.00 -0.53 0.00 0.00 40.66 40.62 1l8y h LEU 50 CO 0.00 -0.39 0.03 0.24 -0.13 0.00 0.00 178.44 178.19 1l8y h MET 51 N -0.43 0.00 -0.30 1.25 2.86 -1.31 0.49 114.93 117.50 1l8y h MET 51 Ca 0.10 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.68 1l8y h MET 51 Cb 0.59 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.23 1l8y h MET 51 CO -0.40 0.00 -0.07 -1.49 1.06 0.00 0.00 176.91 176.00 1l8y h TRP 52 N 0.00 0.51 0.14 -0.22 4.06 0.21 -2.81 115.95 117.84 1l8y h TRP 52 Ca 0.02 -0.06 0.00 0.00 2.06 0.00 0.00 58.89 60.90 1l8y h TRP 52 Cb 0.08 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 28.07 1l8y h TRP 52 CO 0.00 0.56 -0.30 0.82 -3.56 0.00 0.00 178.44 175.96 1l8y h ILE 53 N 0.46 0.00 -0.65 1.49 2.04 -0.59 -2.27 117.51 117.99 1l8y h ILE 53 Ca 0.09 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.14 1l8y h ILE 53 Cb 0.41 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 1l8y h ILE 53 CO 0.02 0.00 0.47 0.50 0.00 0.00 0.00 178.15 179.14 1l8y h LYS 54 N -0.47 0.00 0.32 2.37 3.64 -1.52 2.48 116.57 123.39 1l8y h LYS 54 Ca -0.01 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1l8y h LYS 54 Cb 0.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1l8y h LYS 54 CO -0.12 0.00 -0.16 -0.22 -2.27 0.00 0.00 179.45 176.68 1l8y h LYS 55 N 0.00 -0.42 0.00 1.90 3.11 -1.16 1.15 116.57 121.15 1l8y h LYS 55 Ca 0.31 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 58.18 1l8y h LYS 55 Cb 1.25 0.10 0.00 0.00 -1.00 0.00 0.00 32.23 32.58 1l8y h LYS 55 CO -0.00 -0.19 -0.34 0.00 -2.81 0.00 0.00 179.45 176.10 1l8y h ALA 56 N 0.06 0.82 -0.16 5.00 0.00 -1.05 -2.50 119.26 121.43 1l8y h ALA 56 Ca -0.04 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 1l8y h ALA 56 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1l8y h ALA 56 CO 0.07 0.00 -0.67 0.00 0.00 0.00 0.00 179.25 178.66 1l8y h ALA 57 N 2.09 0.52 -0.02 0.00 0.00 0.44 1.61 119.26 123.91 1l8y h ALA 57 Ca 0.00 -0.57 -0.08 0.00 0.00 0.00 0.00 54.91 54.26 1l8y h ALA 57 Cb 0.95 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1l8y h ALA 57 CO 0.00 0.71 -0.37 1.49 0.00 0.00 0.00 179.25 181.07 1l8y h GLU 58 N 0.46 0.03 0.00 0.00 4.57 0.14 -1.42 114.58 118.36 1l8y h GLU 58 Ca -0.02 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.02 1l8y h GLU 58 Cb 1.25 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.82 1l8y h GLU 58 CO 0.13 0.40 -0.63 -0.44 -1.18 0.00 0.00 179.01 177.29 1l8y h ASP 59 N 0.03 0.00 0.11 1.04 5.19 -0.80 -3.16 116.42 118.82 1l8y h ASP 59 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1l8y h ASP 59 Cb 0.67 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.18 1l8y h ASP 59 CO 0.05 0.63 0.00 1.67 -3.12 0.00 0.00 179.24 178.47 1l8y n GLN 60 N -3.32 0.49 0.03 3.56 0.00 0.54 -3.40 117.38 115.28 1l8y n GLN 60 Ca 0.01 0.04 -0.12 0.00 -0.00 0.00 0.00 57.00 56.93 1l8y n GLN 60 Cb 0.76 -1.50 -0.07 0.00 0.00 0.00 0.00 30.24 29.44 1l8y n GLN 60 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 1l8y h LYS 61 N 0.00 0.03 0.00 3.69 3.64 -1.51 0.72 116.57 123.14 1l8y h LYS 61 Ca 0.00 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.34 1l8y h LYS 61 Cb 0.06 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1l8y h LYS 61 CO 0.00 0.02 -0.16 0.00 -2.27 0.00 0.00 179.45 177.04 1l8y h ARG 62 N 0.03 0.00 0.02 1.90 3.08 -1.83 1.24 114.38 118.83 1l8y h ARG 62 Ca 0.01 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.81 1l8y h ARG 62 Cb -0.00 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.07 1l8y h ARG 62 CO -0.00 0.16 -1.01 -0.92 -1.07 0.00 0.00 179.97 177.13 1l8y h TYR 63 N 0.00 0.97 0.13 3.04 3.20 -1.57 -3.17 116.97 119.56 1l8y h TYR 63 Ca -0.00 -0.54 -0.36 0.00 3.14 0.00 0.00 58.73 60.97 1l8y h TYR 63 Cb 0.30 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.45 1l8y h TYR 63 CO 0.00 1.38 -1.94 1.49 -1.64 0.00 0.00 178.16 177.45 1l8y h GLU 64 N 0.28 0.27 0.00 1.82 4.57 -0.59 -3.36 114.58 117.57 1l8y h GLU 64 Ca -0.13 -0.45 -0.00 0.00 -1.18 0.00 0.00 59.36 57.59 1l8y h GLU 64 Cb 1.67 0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 30.43 1l8y h GLU 64 CO 0.20 1.18 -0.02 0.07 -1.18 0.00 0.00 179.01 179.26 1l8y h ARG 65 N 0.07 0.00 0.00 1.92 0.11 0.14 -2.14 114.38 114.49 1l8y h ARG 65 Ca -0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.68 1l8y h ARG 65 Cb 2.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.12 1l8y h ARG 65 CO 0.10 0.02 0.00 -1.91 0.10 0.00 0.00 179.97 178.28 1l8y n GLU 66 N -3.53 0.00 -0.27 0.08 0.00 -1.20 -1.52 120.64 114.20 1l8y n GLU 66 Ca -0.03 0.42 0.12 0.00 0.00 0.00 0.00 57.16 57.67 1l8y n GLU 66 Cb 0.11 -1.34 0.38 0.00 0.00 0.00 0.00 31.44 30.59 1l8y n GLU 66 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 1l8y h LEU 67 N 0.00 0.65 -1.10 4.31 4.07 -1.78 0.14 115.31 121.61 1l8y h LEU 67 Ca 0.00 0.04 0.29 0.00 0.08 0.00 0.00 57.88 58.29 1l8y h LEU 67 Cb 0.00 -0.09 -0.13 0.00 1.08 0.00 0.00 40.66 41.52 1l8y h LEU 67 CO 0.00 0.33 0.62 -1.28 -1.08 0.00 0.00 178.44 177.03 1l8y h SER 68 N 0.69 0.54 0.15 -0.43 0.87 -1.14 0.59 113.55 114.83 1l8y h SER 68 Ca 0.44 0.15 -0.18 0.00 -1.23 0.00 0.00 61.79 60.97 1l8y h SER 68 Cb 0.72 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.74 1l8y h SER 68 CO -0.20 -0.01 -0.66 -0.33 -0.53 0.00 0.00 176.83 175.10 1l8y h GLU 69 N 0.42 0.48 -0.73 2.24 4.39 0.37 -3.13 114.58 118.62 1l8y h GLU 69 Ca 0.68 -0.36 0.12 0.00 0.34 0.00 0.00 59.36 60.15 1l8y h GLU 69 Cb 1.54 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 30.21 1l8y h GLU 69 CO -0.49 0.98 0.49 0.52 -1.16 0.00 0.00 179.01 179.35 1l8y h MET 70 N 0.35 0.49 -0.99 2.33 2.86 0.30 0.70 114.93 120.96 1l8y h MET 70 Ca -0.02 -0.03 -0.38 0.00 -2.06 0.00 0.00 59.70 57.21 1l8y h MET 70 Cb 1.23 -0.11 -0.23 0.00 0.06 0.00 0.00 31.60 32.55 1l8y h MET 70 CO 0.12 0.32 0.48 -2.13 1.06 0.00 0.00 176.91 176.76 1l8y n ARG 71 N -4.49 2.02 -2.69 1.72 0.63 -1.02 -4.28 116.66 108.55 1l8y n ARG 71 Ca 0.13 -2.28 -0.08 0.00 -0.92 0.00 0.00 57.85 54.70 1l8y n ARG 71 Cb 0.44 -1.90 0.09 0.00 0.45 0.00 0.00 32.46 31.54 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 -0.71 1.95 -0.16 5.13 0.00 0.24 -4.98 120.51 121.98 1l8y n ALA 72 Ca 0.45 -1.89 -0.04 0.00 0.00 0.00 0.00 53.44 51.96 1l8y n ALA 72 Cb 1.38 -0.98 0.06 0.00 0.00 0.00 0.00 19.45 19.91 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 2.33 0.37 -1.27 0.00 0.11 -1.74 -1.80 132.00 130.00 1l8y h PRO 73 Ca -0.22 -0.02 -0.37 0.00 0.11 0.00 0.00 66.00 65.50 1l8y h PRO 73 Cb 1.26 -0.08 -0.18 0.00 0.11 0.00 0.00 31.00 32.11 1l8y h PRO 73 CO 0.12 0.25 0.48 -0.35 -0.21 0.00 0.00 178.00 178.28 1l8y n PRO 74 N -4.98 1.91 -1.13 1.05 -0.04 -1.26 -4.52 135.00 126.03 1l8y n PRO 74 Ca 0.05 -1.89 -0.26 0.00 -0.04 0.00 0.00 63.50 61.36 1l8y n PRO 74 Cb 0.18 -1.74 0.09 0.00 -0.04 0.00 0.00 33.50 31.99 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 -0.12 5.68 -2.08 0.55 0.00 -0.68 -2.68 120.51 121.19 1l8y n ALA 75 Ca 0.37 -2.72 -0.02 0.00 0.00 0.00 0.00 53.44 51.07 1l8y n ALA 75 Cb 0.80 -1.56 -0.02 0.00 0.00 0.00 0.00 19.45 18.67 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 -0.59 2.59 0.00 0.00 0.00 -1.26 -4.94 120.51 116.31 1l8y n ALA 76 Ca 0.51 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1l8y n ALA 76 Cb 0.87 -0.30 0.00 0.00 0.00 0.00 0.00 19.45 20.01 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 0.08 0.00 -1.97 0.00 -2.24 -1.26 -4.99 114.28 103.91 1l8y n THR 77 Ca -0.08 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.39 1l8y n THR 77 Cb 0.70 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.96 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 6.22 0.06 3.42 5.15 -1.09 -4.19 115.26 124.83 1l8y n ASN 78 Ca 0.00 -3.78 0.00 0.00 -0.60 0.00 0.00 54.58 50.20 1l8y n ASN 78 Cb 0.00 -0.72 0.00 0.00 -0.53 0.00 0.00 39.78 38.53 1l8y n ASN 78 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1l8y n SER 79 N -0.64 -0.23 -0.17 1.20 2.88 -1.17 -4.77 113.62 110.71 1l8y n SER 79 Ca 0.50 0.22 -0.11 0.00 -1.33 0.00 0.00 58.87 58.15 1l8y n SER 79 Cb 0.61 0.33 0.00 0.00 -0.75 0.00 0.00 64.21 64.40 1l8y n SER 79 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1l8y h SER 80 N 0.00 1.04 -4.27 -3.46 0.87 -1.88 -3.46 113.55 102.38 1l8y h SER 80 Ca 0.00 -0.38 -0.41 0.00 -1.23 0.00 0.00 61.79 59.77 1l8y h SER 80 Cb 0.00 -0.28 -0.09 0.00 -0.44 0.00 0.00 62.40 61.58 1l8y h SER 80 CO 0.00 1.18 -0.35 0.29 -0.53 0.00 0.00 176.83 177.42 1l8y n LYS 81 N -4.13 0.62 -3.45 2.24 5.02 -1.26 -5.09 118.16 112.11 1l8y n LYS 81 Ca 0.01 -2.58 -0.42 0.00 -2.02 0.00 0.00 58.31 53.30 1l8y n LYS 81 Cb 0.44 1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 36.92 1l8y n LYS 81 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1l8y s LYS 82 N -3.15 3.85 -0.37 1.97 1.02 -1.26 -4.58 119.74 117.22 1l8y s LYS 82 Ca 0.17 -3.22 -0.08 0.00 0.02 0.00 0.00 55.97 52.86 1l8y s LYS 82 Cb 0.01 -4.33 0.01 0.00 -0.52 0.00 0.00 37.83 33.00 1l8y s LYS 82 CO 0.12 -1.25 0.31 1.28 -0.92 0.00 0.00 175.35 174.89 1l8y n LEU 83 N 2.60 -8.00 0.00 3.17 7.99 -1.26 -5.13 117.00 116.38 1l8y n LEU 83 Ca 0.23 0.98 0.00 0.00 -0.01 0.00 0.00 56.01 57.21 1l8y n LEU 83 Cb 0.39 -3.38 0.00 0.00 -0.11 0.00 0.00 43.42 40.31 1l8y n LEU 83 CO 0.43 -2.79 0.00 -0.62 -1.51 0.00 0.00 177.39 172.90