#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 -3.95 1.61 2.85 -1.10 -4.91 118.16 112.66 1l8y n LYS 2 Ca 0.00 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.96 1l8y n LYS 2 Cb 0.00 0.00 -0.16 0.00 -0.65 0.00 0.00 35.03 34.22 1l8y n LYS 2 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1l8y s LEU 3 N 0.00 2.26 -0.60 -5.58 1.43 -1.26 -4.62 118.68 110.31 1l8y s LEU 3 Ca 0.00 -0.95 -0.28 0.00 -1.03 0.00 0.00 54.13 51.87 1l8y s LEU 3 Cb 0.00 -1.15 0.02 0.00 0.03 0.00 0.00 46.19 45.09 1l8y s LEU 3 CO 0.00 -0.19 1.32 -2.16 0.23 0.00 0.00 176.35 175.55 1l8y s PRO 4 N 1.44 3.35 0.26 1.29 0.04 -1.26 -4.80 135.00 135.32 1l8y s PRO 4 Ca -0.03 0.27 0.09 0.00 0.04 0.00 0.00 61.00 61.38 1l8y s PRO 4 Cb -0.17 -4.10 0.31 0.00 0.04 0.00 0.00 34.50 30.58 1l8y s PRO 4 CO -0.07 -1.89 1.58 1.49 0.04 0.00 0.00 177.00 178.15 1l8y h GLU 5 N 10.39 0.03 -5.35 4.56 4.81 -1.95 -3.48 114.58 123.58 1l8y h GLU 5 Ca -0.26 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 1l8y h GLU 5 Cb 1.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1l8y h GLU 5 CO 1.20 0.66 -0.87 0.43 -0.73 0.00 0.00 179.01 179.70 1l8y n SER 6 N -3.78 -7.79 -2.66 1.04 7.64 -1.26 -5.01 113.62 101.79 1l8y n SER 6 Ca -0.01 1.04 0.00 0.00 1.01 0.00 0.00 58.87 60.90 1l8y n SER 6 Cb 0.64 -4.87 0.00 0.00 -1.01 0.00 0.00 64.21 58.97 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 0.45 2.44 -0.98 1.43 -0.02 -1.26 -5.01 135.00 132.04 1l8y n PRO 7 Ca 0.03 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.46 1l8y n PRO 7 Cb 0.20 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.63 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 0.00 0.00 -0.52 3.00 -0.97 -4.97 118.16 114.70 1l8y n LYS 8 Ca 0.00 -0.98 0.00 0.00 -0.00 0.00 0.00 58.31 57.33 1l8y n LYS 8 Cb 0.00 0.39 0.00 0.00 0.00 0.00 0.00 35.03 35.42 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 0.04 0.00 0.00 1.64 5.12 0.61 -3.26 116.66 120.81 1l8y n ARG 9 Ca -0.22 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.70 1l8y n ARG 9 Cb 0.72 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.02 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 4.95 -0.04 0.12 7.54 0.00 -1.20 -2.68 120.51 129.20 1l8y n ALA 10 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.63 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 -1.71 -2.56 114.58 115.39 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 -0.47 2.33 4.22 0.29 -2.38 114.58 118.57 1l8y h GLU 12 Ca 0.18 0.00 0.10 0.00 0.08 0.00 0.00 59.36 59.71 1l8y h GLU 12 Cb 1.25 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.40 1l8y h GLU 12 CO -0.00 0.00 -0.23 0.97 -2.18 0.00 0.00 179.01 177.57 1l8y h ILE 13 N -0.39 0.34 0.48 2.32 6.09 0.38 -2.59 117.51 124.13 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 0.01 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 -0.23 -0.25 -3.07 0.00 0.00 178.15 174.60 1l8y h TRP 14 N -0.13 -0.60 -0.20 2.19 7.01 -1.65 -2.12 115.95 120.46 1l8y h TRP 14 Ca 0.22 -0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.23 1l8y h TRP 14 Cb 0.47 0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.70 1l8y h TRP 14 CO -0.50 -0.37 -0.16 0.37 -2.79 0.00 0.00 178.44 174.99 1l8y h GLN 15 N -1.10 -0.06 -0.70 2.65 4.15 -1.40 1.13 115.11 119.79 1l8y h GLN 15 Ca -0.07 0.00 0.20 0.00 0.77 0.00 0.00 58.65 59.56 1l8y h GLN 15 Cb 0.49 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.17 1l8y h GLN 15 CO 0.11 -0.04 0.58 1.96 -1.93 0.00 0.00 178.83 179.51 1l8y h GLN 16 N -0.06 0.00 0.01 1.69 1.08 -1.61 1.23 115.11 117.45 1l8y h GLN 16 Ca 0.03 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 56.98 1l8y h GLN 16 Cb 0.14 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.60 1l8y h GLN 16 CO -0.22 0.00 -0.99 0.77 -0.95 0.00 0.00 178.83 177.44 1l8y h SER 17 N 0.00 0.86 0.00 1.46 0.02 0.16 -3.38 113.55 112.66 1l8y h SER 17 Ca 0.33 -0.75 -0.37 0.00 -0.84 0.00 0.00 61.79 60.16 1l8y h SER 17 Cb 1.49 -0.26 -0.06 0.00 0.14 0.00 0.00 62.40 63.71 1l8y h SER 17 CO -0.00 1.49 -2.23 1.33 -1.14 0.00 0.00 176.83 176.28 1l8y n VAL 18 N -3.91 1.50 -0.38 2.27 0.24 0.30 -4.53 118.33 113.81 1l8y n VAL 18 Ca -0.11 -0.28 0.32 0.00 -2.04 0.00 0.00 64.34 62.22 1l8y n VAL 18 Cb 0.86 -1.96 0.52 0.00 -1.47 0.00 0.00 33.84 31.78 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 -4.27 -0.14 -0.26 1.34 3.06 0.40 0.12 119.36 119.61 1l8y n ILE 19 Ca -0.46 1.27 -0.03 0.00 -2.50 0.00 0.00 62.75 61.03 1l8y n ILE 19 Cb 0.81 -2.09 0.09 0.00 0.54 0.00 0.00 39.64 38.99 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 1.06 1.67 4.50 0.00 -1.74 0.89 103.07 109.45 1l8y h GLY 20 Ca 0.65 -0.35 -0.20 0.00 0.00 0.00 0.00 47.33 47.44 1l8y h GLY 20 CO -0.27 0.29 -1.09 -1.80 0.00 0.00 0.00 176.54 173.68 1l8y h ASP 21 N 0.90 0.00 0.00 0.19 1.82 0.69 -2.76 116.42 117.26 1l8y h ASP 21 Ca 0.30 0.00 -0.22 0.00 -0.39 0.00 0.00 57.03 56.71 1l8y h ASP 21 Cb 0.03 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.05 1l8y h ASP 21 CO -0.11 0.84 -0.83 1.88 -1.61 0.00 0.00 179.24 179.41 1l8y h TYR 22 N 0.00 0.92 0.00 0.28 0.05 -0.92 -2.32 116.97 114.98 1l8y h TYR 22 Ca -0.08 -0.43 -0.06 0.00 0.05 0.00 0.00 58.73 58.21 1l8y h TYR 22 Cb 1.71 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 39.31 1l8y h TYR 22 CO 0.00 1.25 -0.27 -0.07 -1.05 0.00 0.00 178.16 178.01 1l8y h LEU 23 N 0.44 0.00 -0.03 3.88 3.38 0.71 -3.26 115.31 120.43 1l8y h LEU 23 Ca -0.06 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1l8y h LEU 23 Cb 1.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.20 1l8y h LEU 23 CO 0.16 0.27 -0.19 0.00 0.09 0.00 0.00 178.44 178.77 1l8y h ALA 24 N 1.73 0.07 -1.00 1.53 0.00 -1.36 0.22 119.26 120.45 1l8y h ALA 24 Ca -0.00 -0.41 0.34 0.00 0.00 0.00 0.00 54.91 54.83 1l8y h ALA 24 Cb 0.93 -0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.56 1l8y h ALA 24 CO 0.04 0.04 0.56 0.07 0.00 0.00 0.00 179.25 179.96 1l8y h ARG 25 N -0.40 0.26 -0.01 0.00 0.11 -1.46 -0.81 114.38 112.08 1l8y h ARG 25 Ca -0.02 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.05 1l8y h ARG 25 Cb 0.87 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.89 1l8y h ARG 25 CO 0.04 0.17 0.00 0.34 0.10 0.00 0.00 179.97 180.62 1l8y n PHE 26 N -5.09 0.02 -3.67 4.08 7.35 -1.25 -5.01 117.46 113.88 1l8y n PHE 26 Ca 0.32 -0.64 -0.28 0.00 -0.76 0.00 0.00 57.45 56.09 1l8y n PHE 26 Cb 1.02 -0.08 0.03 0.00 0.35 0.00 0.00 39.48 40.80 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 -0.74 -1.17 0.00 -4.13 0.00 -0.31 -4.14 118.16 107.67 1l8y n LYS 27 Ca 0.05 0.59 0.00 0.00 0.00 0.00 0.00 58.31 58.95 1l8y n LYS 27 Cb 0.37 -3.81 0.00 0.00 0.00 0.00 0.00 35.03 31.59 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 -2.50 0.00 0.00 3.14 5.15 0.67 -5.01 115.26 116.71 1l8y n ASN 28 Ca -0.12 0.00 0.06 0.00 -0.60 0.00 0.00 54.58 53.92 1l8y n ASN 28 Cb 0.59 0.00 0.29 0.00 -0.53 0.00 0.00 39.78 40.13 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 -1.19 -4.29 116.55 114.30 1l8y n ASP 29 Ca 0.00 0.37 0.00 0.00 0.52 0.00 0.00 54.79 55.68 1l8y n ASP 29 Cb 0.00 -0.43 0.00 0.00 -0.72 0.00 0.00 41.12 39.97 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 -1.43 0.00 -0.15 -0.67 0.00 -1.26 0.22 116.66 113.37 1l8y n ARG 30 Ca 0.04 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.84 1l8y n ARG 30 Cb 0.13 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.60 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 0.28 0.00 5.15 2.07 -1.99 0.53 116.25 122.29 1l8y h VAL 31 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1l8y h VAL 31 Cb 0.00 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 1l8y h VAL 31 CO 0.00 0.00 -1.30 0.29 0.02 0.00 0.00 177.57 176.58 1l8y n LYS 32 N -5.42 0.62 0.22 1.57 4.76 0.59 -3.90 118.16 116.60 1l8y n LYS 32 Ca 0.03 0.07 -0.12 0.00 -2.87 0.00 0.00 58.31 55.43 1l8y n LYS 32 Cb 0.33 -1.76 -0.06 0.00 -1.84 0.00 0.00 35.03 31.70 1l8y n LYS 32 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1l8y h ALA 33 N 1.88 -0.60 -0.23 7.82 0.00 0.25 -0.76 119.26 127.62 1l8y h ALA 33 Ca -0.04 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.76 1l8y h ALA 33 Cb 1.13 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1l8y h ALA 33 CO 0.01 -0.61 0.21 1.25 0.00 0.00 0.00 179.25 180.10 1l8y h LEU 34 N -1.05 0.00 0.03 0.00 6.46 -0.17 -2.48 115.31 118.11 1l8y h LEU 34 Ca -0.06 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.70 1l8y h LEU 34 Cb 0.55 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.48 1l8y h LEU 34 CO 0.10 0.00 -0.01 0.11 -0.62 0.00 0.00 178.44 178.02 1l8y h LYS 35 N 0.00 -0.04 -1.28 1.25 1.79 -1.66 -1.57 116.57 115.06 1l8y h LYS 35 Ca 0.11 0.00 0.37 0.00 -2.18 0.00 0.00 60.65 58.95 1l8y h LYS 35 Cb 0.52 0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 31.11 1l8y h LYS 35 CO -0.00 0.64 0.89 0.00 -1.08 0.00 0.00 179.45 179.91 1l8y h ALA 36 N -0.14 3.01 0.22 3.86 0.00 -0.69 1.01 119.26 126.54 1l8y h ALA 36 Ca -0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.59 1l8y h ALA 36 Cb 0.70 0.10 0.04 0.00 0.00 0.00 0.00 17.79 18.63 1l8y h ALA 36 CO 0.01 -1.42 -1.34 1.98 0.00 0.00 0.00 179.25 178.47 1l8y h MET 37 N 0.08 0.52 0.70 0.00 1.85 -1.50 -2.87 114.93 113.72 1l8y h MET 37 Ca 0.65 -0.86 -0.03 0.00 -0.61 0.00 0.00 59.70 58.85 1l8y h MET 37 Cb 2.35 0.31 0.01 0.00 0.43 0.00 0.00 31.60 34.70 1l8y h MET 37 CO -0.11 1.41 -0.34 1.49 -0.40 0.00 0.00 176.91 178.96 1l8y h GLU 38 N 0.08 -0.91 0.38 0.39 4.81 0.19 -1.63 114.58 117.91 1l8y h GLU 38 Ca -0.23 0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1l8y h GLU 38 Cb 2.05 0.21 -0.03 0.00 0.63 0.00 0.00 28.75 31.61 1l8y h GLU 38 CO 0.25 -0.58 -0.42 0.52 -0.73 0.00 0.00 179.01 178.05 1l8y h MET 39 N -1.18 -0.80 -0.04 1.92 2.86 -0.78 -0.83 114.93 116.08 1l8y h MET 39 Ca -0.10 0.05 0.01 0.00 -2.06 0.00 0.00 59.70 57.61 1l8y h MET 39 Cb 0.75 0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.59 1l8y h MET 39 CO 0.16 -0.54 0.29 1.15 1.06 0.00 0.00 176.91 179.03 1l8y h THR 40 N -0.83 0.05 0.01 2.22 2.02 -1.59 0.37 112.91 115.16 1l8y h THR 40 Ca -0.03 0.00 -0.23 0.00 0.77 0.00 0.00 66.41 66.92 1l8y h THR 40 Cb 0.75 0.72 0.02 0.00 -1.74 0.00 0.00 68.15 67.91 1l8y h THR 40 CO -0.09 0.00 -0.91 -0.25 0.37 0.00 0.00 175.52 174.64 1l8y h TRP 41 N 0.00 0.89 0.00 3.16 2.91 -0.14 -3.20 115.95 119.57 1l8y h TRP 41 Ca 0.02 -0.49 -0.14 0.00 1.13 0.00 0.00 58.89 59.40 1l8y h TRP 41 Cb 0.59 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 29.12 1l8y h TRP 41 CO 0.00 1.33 -0.95 -0.91 -1.03 0.00 0.00 178.44 176.88 1l8y h ASN 42 N 0.20 0.00 0.37 2.65 2.35 -0.57 -3.18 115.58 117.39 1l8y h ASN 42 Ca -0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1l8y h ASN 42 Cb 1.59 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.96 1l8y h ASN 42 CO 0.18 0.58 0.00 0.59 -1.65 0.00 0.00 177.43 177.13 1l8y n ASN 43 N -3.09 0.03 -0.32 5.81 3.02 0.11 -1.52 115.26 119.31 1l8y n ASN 43 Ca -0.03 0.51 0.07 0.00 -0.03 0.00 0.00 54.58 55.10 1l8y n ASN 43 Cb 0.80 -0.52 -0.00 0.00 -0.61 0.00 0.00 39.78 39.45 1l8y n ASN 43 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 1l8y n MET 44 N -1.54 1.79 0.00 3.52 1.56 -1.20 -5.04 117.12 116.21 1l8y n MET 44 Ca 0.02 -0.74 0.00 0.00 -0.27 0.00 0.00 57.70 56.71 1l8y n MET 44 Cb 0.13 -1.22 0.00 0.00 2.15 0.00 0.00 33.22 34.28 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 -0.17 0.00 -0.17 2.12 1.02 -0.57 -2.94 120.64 119.92 1l8y n GLU 45 Ca 0.06 0.00 0.29 0.00 -0.02 0.00 0.00 57.16 57.49 1l8y n GLU 45 Cb 0.30 0.00 0.68 0.00 -0.02 0.00 0.00 31.44 32.40 1l8y n GLU 45 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1l8y h LYS 46 N 0.00 0.00 0.16 3.49 3.64 -1.90 -2.56 116.57 119.40 1l8y h LYS 46 Ca 0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1l8y h LYS 46 Cb 0.00 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 1l8y h LYS 46 CO 0.00 0.00 -0.45 -0.22 -2.27 0.00 0.00 179.45 176.51 1l8y h LYS 47 N 0.00 -0.65 0.00 1.90 3.64 -1.91 -2.79 116.57 116.76 1l8y h LYS 47 Ca 0.44 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.86 1l8y h LYS 47 Cb 2.11 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 34.08 1l8y h LYS 47 CO -0.00 -0.43 0.00 0.39 -2.27 0.00 0.00 179.45 177.13 1l8y n GLU 48 N -5.01 0.00 0.00 1.90 1.02 -0.97 -3.35 120.64 114.23 1l8y n GLU 48 Ca -0.08 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.26 1l8y n GLU 48 Cb 0.36 -0.81 0.00 0.00 -0.02 0.00 0.00 31.44 30.97 1l8y n GLU 48 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1l8y n LYS 49 N -1.10 0.00 0.23 3.49 5.02 -1.17 0.38 118.16 125.01 1l8y n LYS 49 Ca 0.00 0.41 -0.17 0.00 -2.02 0.00 0.00 58.31 56.53 1l8y n LYS 49 Cb 0.00 -0.62 -0.10 0.00 -0.02 0.00 0.00 35.03 34.29 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 -1.42 -2.18 -0.35 7.12 -1.72 -2.23 115.31 114.54 1l8y h LEU 50 Ca 0.00 0.13 0.05 0.00 0.13 0.00 0.00 57.88 58.19 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 -0.62 0.17 0.24 -0.13 0.00 0.00 178.44 178.10 1l8y h MET 51 N -0.90 0.00 -0.14 1.25 2.86 -1.32 0.25 114.93 116.92 1l8y h MET 51 Ca -0.04 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.51 1l8y h MET 51 Cb 0.82 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.46 1l8y h MET 51 CO -0.13 0.00 -0.29 -1.49 1.06 0.00 0.00 176.91 176.06 1l8y h TRP 52 N 0.00 0.30 0.17 -0.22 4.06 0.51 -2.79 115.95 117.97 1l8y h TRP 52 Ca 0.09 -0.06 0.00 0.00 2.06 0.00 0.00 58.89 60.98 1l8y h TRP 52 Cb 0.43 -0.07 -0.03 0.00 -1.00 0.00 0.00 29.16 28.49 1l8y h TRP 52 CO 0.00 0.53 -0.37 0.82 -3.56 0.00 0.00 178.44 175.86 1l8y h ILE 53 N 0.24 0.00 -0.52 1.49 2.04 -0.07 -1.97 117.51 118.72 1l8y h ILE 53 Ca 0.03 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.03 1l8y h ILE 53 Cb 0.63 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1l8y h ILE 53 CO 0.05 0.00 0.36 0.50 0.00 0.00 0.00 178.15 179.06 1l8y h LYS 54 N -0.59 0.10 0.13 2.37 3.64 -1.54 1.74 116.57 122.43 1l8y h LYS 54 Ca -0.02 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1l8y h LYS 54 Cb 0.56 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1l8y h LYS 54 CO -0.16 0.07 -0.08 -0.22 -2.27 0.00 0.00 179.45 176.79 1l8y h LYS 55 N 0.11 -0.20 0.00 1.90 3.64 -1.09 1.72 116.57 122.64 1l8y h LYS 55 Ca 0.25 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1l8y h LYS 55 Cb 0.83 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1l8y h LYS 55 CO -0.03 -0.14 -0.62 0.00 -2.27 0.00 0.00 179.45 176.40 1l8y h ALA 56 N 0.65 0.64 0.03 5.00 0.00 -1.05 -2.51 119.26 122.03 1l8y h ALA 56 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 1l8y h ALA 56 Cb 0.18 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1l8y h ALA 56 CO 0.01 0.00 -0.99 0.00 0.00 0.00 0.00 179.25 178.27 1l8y h ALA 57 N 2.25 0.38 -0.01 0.00 0.00 0.29 1.97 119.26 124.15 1l8y h ALA 57 Ca 0.00 -0.80 -0.15 0.00 0.00 0.00 0.00 54.91 53.96 1l8y h ALA 57 Cb 0.87 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 1l8y h ALA 57 CO 0.00 1.00 -0.70 1.49 0.00 0.00 0.00 179.25 181.04 1l8y h GLU 58 N 0.08 0.06 0.04 0.00 4.81 0.26 -2.75 114.58 117.07 1l8y h GLU 58 Ca -0.06 -0.05 -0.23 0.00 -0.13 0.00 0.00 59.36 58.89 1l8y h GLU 58 Cb 1.67 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 31.05 1l8y h GLU 58 CO 0.15 0.73 -1.06 -0.44 -0.73 0.00 0.00 179.01 177.66 1l8y h ASP 59 N 0.04 0.15 -0.14 1.04 5.19 -1.10 -3.18 116.42 118.42 1l8y h ASP 59 Ca -0.01 -0.16 0.04 0.00 -0.62 0.00 0.00 57.03 56.28 1l8y h ASP 59 Cb 1.24 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.69 1l8y h ASP 59 CO 0.10 1.11 0.21 -0.61 -3.12 0.00 0.00 179.24 176.92 1l8y h GLN 60 N 0.03 0.00 -0.23 3.56 4.15 0.34 0.33 115.11 123.30 1l8y h GLN 60 Ca -0.05 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 1l8y h GLN 60 Cb 1.80 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 29.48 1l8y h GLN 60 CO 0.15 0.00 0.05 0.87 -1.93 0.00 0.00 178.83 177.97 1l8y h LYS 61 N 0.00 0.33 -0.22 1.69 6.56 -1.52 -1.12 116.57 122.28 1l8y h LYS 61 Ca 0.07 -0.04 -0.09 0.00 -1.06 0.00 0.00 60.65 59.52 1l8y h LYS 61 Cb 0.48 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.06 1l8y h LYS 61 CO -0.00 0.32 -0.27 -0.09 -2.06 0.00 0.00 179.45 177.34 1l8y h ARG 62 N 0.33 0.42 -0.00 3.15 2.43 -0.53 -3.03 114.38 117.15 1l8y h ARG 62 Ca 0.08 -0.16 -0.23 0.00 -0.81 0.00 0.00 59.98 58.86 1l8y h ARG 62 Cb 0.15 -0.02 0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1l8y h ARG 62 CO -0.00 0.66 -0.91 0.10 -1.51 0.00 0.00 179.97 178.31 1l8y h TYR 63 N 0.37 0.92 -0.94 2.20 -0.00 -1.31 -3.26 116.97 114.96 1l8y h TYR 63 Ca 0.05 -0.50 0.22 0.00 0.00 0.00 0.00 58.73 58.50 1l8y h TYR 63 Cb 0.67 -0.11 -0.12 0.00 0.00 0.00 0.00 36.73 37.18 1l8y h TYR 63 CO 0.02 1.33 0.48 1.49 -0.00 0.00 0.00 178.16 181.48 1l8y h GLU 64 N 0.25 0.49 0.00 0.10 4.81 -1.13 1.11 114.58 120.21 1l8y h GLU 64 Ca -0.11 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1l8y h GLU 64 Cb 1.58 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.85 1l8y h GLU 64 CO 0.18 0.33 0.00 -0.09 -0.73 0.00 0.00 179.01 178.69 1l8y h ARG 65 N 0.51 0.00 0.00 1.92 9.65 -1.58 -1.21 114.38 123.66 1l8y h ARG 65 Ca 0.58 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.46 1l8y h ARG 65 Cb 1.08 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.66 1l8y h ARG 65 CO -0.49 0.00 0.00 0.39 2.80 0.00 0.00 179.97 182.67 1l8y n GLU 66 N -2.60 0.00 -0.27 0.20 -0.58 0.38 0.12 120.64 117.88 1l8y n GLU 66 Ca -0.01 0.18 0.08 0.00 -0.42 0.00 0.00 57.16 56.99 1l8y n GLU 66 Cb 0.11 -0.95 0.23 0.00 -0.57 0.00 0.00 31.44 30.25 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 0.23 -0.52 -4.62 8.10 -1.59 -0.53 115.31 116.37 1l8y h LEU 67 Ca 0.00 0.13 0.20 0.00 0.11 0.00 0.00 57.88 58.32 1l8y h LEU 67 Cb 0.00 0.13 -0.10 0.00 -0.44 0.00 0.00 40.66 40.26 1l8y h LEU 67 CO 0.00 0.03 0.20 -0.24 -4.11 0.00 0.00 178.44 174.32 1l8y n SER 68 N -5.06 0.11 -0.32 0.17 2.88 -0.46 0.12 113.62 111.06 1l8y n SER 68 Ca 0.17 0.87 0.18 0.00 -1.33 0.00 0.00 58.87 58.77 1l8y n SER 68 Cb 0.51 -0.39 0.38 0.00 -0.75 0.00 0.00 64.21 63.96 1l8y n SER 68 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1l8y h GLU 69 N 0.00 0.26 0.00 -1.46 4.22 -1.10 0.66 114.58 117.15 1l8y h GLU 69 Ca 0.40 -0.02 -0.04 0.00 0.08 0.00 0.00 59.36 59.79 1l8y h GLU 69 Cb 1.01 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 1l8y h GLU 69 CO -0.43 0.17 -0.65 1.98 -2.18 0.00 0.00 179.01 177.90 1l8y h MET 70 N 0.27 0.00 -1.18 1.92 4.05 0.70 -3.32 114.93 117.37 1l8y h MET 70 Ca 0.64 0.00 -0.51 0.00 -0.28 0.00 0.00 59.70 59.55 1l8y h MET 70 Cb 1.39 0.00 -0.23 0.00 -0.80 0.00 0.00 31.60 31.96 1l8y h MET 70 CO -0.63 0.13 0.66 0.54 0.23 0.00 0.00 176.91 177.84 1l8y n ARG 71 N -2.94 2.27 -3.12 0.39 5.12 0.22 -4.52 116.66 114.08 1l8y n ARG 71 Ca 0.00 -2.54 -0.22 0.00 -1.93 0.00 0.00 57.85 53.16 1l8y n ARG 71 Cb 0.62 -2.00 -0.04 0.00 -1.16 0.00 0.00 32.46 29.88 1l8y n ARG 71 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1l8y n ALA 72 N -0.46 2.95 -0.20 7.54 0.00 -0.95 -4.93 120.51 124.47 1l8y n ALA 72 Ca 0.49 -3.86 -0.01 0.00 0.00 0.00 0.00 53.44 50.06 1l8y n ALA 72 Cb 0.75 -0.86 0.10 0.00 0.00 0.00 0.00 19.45 19.44 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 3.12 0.40 -0.94 0.00 0.11 -1.89 0.10 132.00 132.89 1l8y h PRO 73 Ca 0.11 -0.02 -0.25 0.00 0.11 0.00 0.00 66.00 65.95 1l8y h PRO 73 Cb 0.81 -0.09 -0.15 0.00 0.11 0.00 0.00 31.00 31.68 1l8y h PRO 73 CO 0.61 0.26 0.32 -0.35 -0.21 0.00 0.00 178.00 178.63 1l8y n PRO 74 N -4.99 2.15 -0.83 1.05 -0.04 -1.26 -3.87 135.00 127.21 1l8y n PRO 74 Ca 0.08 -1.89 0.03 0.00 -0.04 0.00 0.00 63.50 61.68 1l8y n PRO 74 Cb 0.26 -1.79 0.03 0.00 -0.04 0.00 0.00 33.50 31.96 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 -0.32 2.26 -2.17 0.55 0.00 0.01 -3.70 120.51 117.15 1l8y n ALA 75 Ca 0.33 -1.78 -0.04 0.00 0.00 0.00 0.00 53.44 51.95 1l8y n ALA 75 Cb 1.14 -0.57 -0.04 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.01 3.34 0.00 0.00 0.00 -1.17 -4.67 120.51 117.99 1l8y n ALA 76 Ca 0.05 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.30 1l8y n ALA 76 Cb 0.86 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 0.09 0.00 -0.05 0.00 -2.24 -1.26 -4.89 114.28 105.93 1l8y n THR 77 Ca -0.18 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.39 1l8y n THR 77 Cb 0.83 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.93 1l8y n THR 77 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1l8y n ASN 78 N -0.90 2.04 0.04 3.42 4.13 -1.26 -2.73 115.26 119.99 1l8y n ASN 78 Ca 0.00 0.19 -0.07 0.00 1.68 0.00 0.00 54.58 56.38 1l8y n ASN 78 Cb 0.00 -0.79 -0.12 0.00 -1.54 0.00 0.00 39.78 37.33 1l8y n ASN 78 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 1l8y h SER 79 N -0.23 0.00 1.04 6.41 0.87 -1.89 -3.30 113.55 116.45 1l8y h SER 79 Ca -0.46 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 59.95 1l8y h SER 79 Cb 1.84 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.77 1l8y h SER 79 CO -0.04 0.98 -1.03 0.28 -0.53 0.00 0.00 176.83 176.49 1l8y h SER 80 N 0.00 0.00 -5.83 6.23 0.02 -1.83 -3.49 113.55 108.65 1l8y h SER 80 Ca -0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1l8y h SER 80 Cb 1.82 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.36 1l8y h SER 80 CO 0.11 0.57 -0.67 2.29 -1.14 0.00 0.00 176.83 177.99 1l8y n LYS 81 N -3.05 -0.48 -1.14 3.45 0.00 -1.10 -4.62 118.16 111.22 1l8y n LYS 81 Ca -0.04 0.81 -0.42 0.00 -0.00 0.00 0.00 58.31 58.65 1l8y n LYS 81 Cb 0.80 -0.85 -0.07 0.00 -0.00 0.00 0.00 35.03 34.92 1l8y n LYS 81 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1l8y n LYS 82 N 1.53 1.31 -3.63 -1.58 5.02 -1.26 -4.75 118.16 114.80 1l8y n LYS 82 Ca 0.00 -1.79 -0.13 0.00 -2.02 0.00 0.00 58.31 54.38 1l8y n LYS 82 Cb 0.34 -2.93 -0.07 0.00 -0.02 0.00 0.00 35.03 32.34 1l8y n LYS 82 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1l8y s LEU 83 N 1.90 -0.75 0.00 -0.35 2.96 -1.26 -5.22 118.68 115.95 1l8y s LEU 83 Ca 0.60 1.42 0.06 0.00 -0.22 0.00 0.00 54.13 55.99 1l8y s LEU 83 Cb 0.13 2.42 0.05 0.00 0.50 0.00 0.00 46.19 49.30 1l8y s LEU 83 CO 0.15 -0.24 0.70 -0.62 -1.32 0.00 0.00 176.35 175.02