#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 -4.69 0.00 1.61 3.00 -1.26 -5.05 118.16 111.77 1l8y n LYS 2 Ca 0.00 3.46 0.00 0.00 -0.00 0.00 0.00 58.31 61.77 1l8y n LYS 2 Cb 0.00 -3.87 0.00 0.00 0.00 0.00 0.00 35.03 31.16 1l8y n LYS 2 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1l8y n LEU 3 N -0.46 0.00 0.00 3.14 4.77 -1.26 -5.01 117.00 118.18 1l8y n LEU 3 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1l8y n LEU 3 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1l8y n LEU 3 CO 0.00 0.00 0.30 -0.81 -1.33 0.00 0.00 177.39 175.55 1l8y n PRO 4 N 0.00 0.00 0.00 3.23 -0.04 -1.26 -4.92 135.00 132.01 1l8y n PRO 4 Ca 0.00 0.32 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 1l8y n PRO 4 Cb 0.00 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.36 1l8y n PRO 4 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1l8y n GLU 5 N -1.06 0.00 -1.44 0.54 1.02 -1.26 -5.12 120.64 113.31 1l8y n GLU 5 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1l8y n GLU 5 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1l8y n GLU 5 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1l8y n SER 6 N -0.79 -1.92 -3.41 1.62 2.88 -1.26 -5.07 113.62 105.67 1l8y n SER 6 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1l8y n SER 6 Cb 0.00 -0.96 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 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 1.51 -1.49 -1.46 -0.02 -1.26 -5.01 135.00 127.27 1l8y n PRO 7 Ca 0.00 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.45 1l8y n PRO 7 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 33.47 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 -0.04 0.30 0.00 -0.52 4.01 -1.20 -4.99 118.16 115.72 1l8y n LYS 8 Ca 0.00 -1.49 0.00 0.00 -0.51 0.00 0.00 58.31 56.31 1l8y n LYS 8 Cb 0.00 0.20 0.00 0.00 -0.51 0.00 0.00 35.03 34.72 1l8y n LYS 8 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1l8y n ARG 9 N -0.11 0.00 0.00 1.97 5.12 -0.84 -3.47 116.66 119.33 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 0.86 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.16 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 5.43 -0.03 0.01 7.54 0.00 -1.23 -2.77 120.51 129.47 1l8y n ALA 10 Ca 0.00 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.67 1l8y n ALA 10 Cb 0.00 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.12 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 -1.72 -2.65 114.58 115.30 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 -0.01 -0.42 2.33 4.57 0.22 -2.43 114.58 118.84 1l8y h GLU 12 Ca 0.28 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.54 1l8y h GLU 12 Cb 1.59 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 30.09 1l8y h GLU 12 CO -0.00 -0.01 -0.28 0.97 -1.18 0.00 0.00 179.01 178.51 1l8y h ILE 13 N -0.25 0.28 0.22 2.32 6.09 3.03 -2.68 117.51 126.53 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 0.01 0.28 0.00 0.00 0.47 0.00 0.00 36.82 37.59 1l8y h ILE 13 CO 0.00 0.00 -0.11 -0.25 -3.07 0.00 0.00 178.15 174.72 1l8y h TRP 14 N -0.20 -0.28 -0.21 2.19 7.01 -1.67 -2.36 115.95 120.42 1l8y h TRP 14 Ca 0.19 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.21 1l8y h TRP 14 Cb 0.51 0.09 -0.05 0.00 -2.10 0.00 0.00 29.16 27.61 1l8y h TRP 14 CO -0.51 0.08 -0.33 0.37 -2.79 0.00 0.00 178.44 175.26 1l8y h GLN 15 N -0.93 -0.24 -0.65 2.65 4.15 -1.42 0.56 115.11 119.22 1l8y h GLN 15 Ca -0.03 0.02 0.18 0.00 0.77 0.00 0.00 58.65 59.58 1l8y h GLN 15 Cb 0.48 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.20 1l8y h GLN 15 CO 0.05 -0.16 0.46 1.96 -1.93 0.00 0.00 178.83 179.21 1l8y h GLN 16 N -0.25 0.07 -0.25 1.69 1.08 -1.63 0.92 115.11 116.74 1l8y h GLN 16 Ca 0.04 -0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.09 1l8y h GLN 16 Cb 0.36 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.77 1l8y h GLN 16 CO -0.34 0.05 -0.43 1.03 -0.95 0.00 0.00 178.83 178.20 1l8y h SER 17 N 0.07 0.80 0.00 1.46 0.87 0.22 -3.34 113.55 113.63 1l8y h SER 17 Ca 0.31 -0.53 -0.33 0.00 -1.23 0.00 0.00 61.79 60.01 1l8y h SER 17 Cb 1.14 -0.23 -0.05 0.00 -0.44 0.00 0.00 62.40 62.82 1l8y h SER 17 CO -0.03 1.18 -1.98 1.33 -0.53 0.00 0.00 176.83 176.81 1l8y n VAL 18 N -4.17 1.52 -0.56 2.23 0.24 0.15 -4.45 118.33 113.30 1l8y n VAL 18 Ca -0.05 -0.21 0.44 0.00 -2.04 0.00 0.00 64.34 62.48 1l8y n VAL 18 Cb 0.55 -2.00 0.70 0.00 -1.47 0.00 0.00 33.84 31.62 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 -4.33 -0.12 -0.02 1.34 3.06 0.31 0.19 119.36 119.79 1l8y n ILE 19 Ca -0.42 1.54 -0.07 0.00 -2.50 0.00 0.00 62.75 61.29 1l8y n ILE 19 Cb 0.77 -2.54 0.11 0.00 0.54 0.00 0.00 39.64 38.52 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 0.65 1.56 4.50 0.00 -1.72 0.63 103.07 108.69 1l8y h GLY 20 Ca 0.85 -0.62 -0.09 0.00 0.00 0.00 0.00 47.33 47.48 1l8y h GLY 20 CO -0.22 0.56 -0.74 -1.80 0.00 0.00 0.00 176.54 174.34 1l8y h ASP 21 N 0.50 0.00 0.12 0.19 3.58 0.19 -2.39 116.42 118.62 1l8y h ASP 21 Ca 0.05 0.00 -0.19 0.00 0.42 0.00 0.00 57.03 57.31 1l8y h ASP 21 Cb 0.85 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.91 1l8y h ASP 21 CO 0.07 0.36 -0.86 1.88 -2.88 0.00 0.00 179.24 177.80 1l8y h TYR 22 N 0.00 0.47 0.00 0.28 0.05 -0.70 -2.94 116.97 114.13 1l8y h TYR 22 Ca -0.05 -0.35 -0.08 0.00 0.05 0.00 0.00 58.73 58.31 1l8y h TYR 22 Cb 1.31 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 39.02 1l8y h TYR 22 CO 0.00 1.33 -0.37 -0.07 -1.05 0.00 0.00 178.16 178.00 1l8y h LEU 23 N -0.42 0.00 0.07 3.88 3.38 0.16 -3.21 115.31 119.16 1l8y h LEU 23 Ca -0.16 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1l8y h LEU 23 Cb 1.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.36 1l8y h LEU 23 CO 0.12 0.37 -0.03 0.00 0.09 0.00 0.00 178.44 178.98 1l8y h ALA 24 N 1.63 -0.09 -1.22 1.53 0.00 -1.50 1.27 119.26 120.88 1l8y h ALA 24 Ca -0.00 -0.21 0.38 0.00 0.00 0.00 0.00 54.91 55.08 1l8y h ALA 24 Cb 0.84 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.54 1l8y h ALA 24 CO 0.05 -0.34 0.78 0.07 0.00 0.00 0.00 179.25 179.81 1l8y h ARG 25 N -0.51 0.18 0.00 0.00 0.11 -1.52 -1.01 114.38 111.63 1l8y h ARG 25 Ca -0.01 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1l8y h ARG 25 Cb 0.44 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.48 1l8y h ARG 25 CO 0.01 0.12 -0.12 0.34 0.10 0.00 0.00 179.97 180.43 1l8y n PHE 26 N -4.68 0.00 -4.41 4.08 7.35 -1.21 -4.99 117.46 113.59 1l8y n PHE 26 Ca 0.33 -0.43 -0.39 0.00 -0.76 0.00 0.00 57.45 56.20 1l8y n PHE 26 Cb 1.24 -0.07 -0.07 0.00 0.35 0.00 0.00 39.48 40.94 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 -0.56 -1.43 0.00 -4.13 0.00 0.41 -4.11 118.16 108.33 1l8y n LYS 27 Ca 0.05 0.20 0.00 0.00 0.00 0.00 0.00 58.31 58.56 1l8y n LYS 27 Cb 0.52 -4.62 0.00 0.00 0.00 0.00 0.00 35.03 30.94 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 -2.60 0.00 -0.10 3.14 2.85 0.54 -4.98 115.26 114.12 1l8y n ASN 28 Ca 0.02 0.00 0.14 0.00 -0.11 0.00 0.00 54.58 54.63 1l8y n ASN 28 Cb 0.51 0.00 0.80 0.00 1.24 0.00 0.00 39.78 42.33 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 0.30 -0.15 1.20 2.03 -1.24 -4.40 116.55 114.29 1l8y n ASP 29 Ca 0.00 -1.18 0.01 0.00 0.52 0.00 0.00 54.79 54.15 1l8y n ASP 29 Cb 0.00 -0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.44 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 -0.73 -0.06 -0.22 -0.67 5.12 -1.26 0.21 116.66 119.05 1l8y n ARG 30 Ca 0.21 0.64 0.00 0.00 -1.93 0.00 0.00 57.85 56.78 1l8y n ARG 30 Cb 0.15 -0.96 0.07 0.00 -1.16 0.00 0.00 32.46 30.56 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 0.35 0.00 1.55 2.07 -1.98 0.70 116.25 118.93 1l8y h VAL 31 Ca 0.18 -0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.59 1l8y h VAL 31 Cb 0.28 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1l8y h VAL 31 CO -0.42 0.00 -0.72 0.11 0.02 0.00 0.00 177.57 176.56 1l8y h LYS 32 N 0.01 0.00 0.42 1.57 1.79 0.22 -3.34 116.57 117.24 1l8y h LYS 32 Ca 0.32 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.77 1l8y h LYS 32 Cb 0.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 1l8y h LYS 32 CO -0.67 0.41 -0.20 0.00 -1.08 0.00 0.00 179.45 177.90 1l8y h ALA 33 N 1.53 -0.57 -0.91 3.86 0.00 0.38 0.46 119.26 124.00 1l8y h ALA 33 Ca -0.04 -0.18 0.20 0.00 0.00 0.00 0.00 54.91 54.89 1l8y h ALA 33 Cb 1.40 0.22 -0.11 0.00 0.00 0.00 0.00 17.79 19.29 1l8y h ALA 33 CO 0.05 -0.71 0.46 1.25 0.00 0.00 0.00 179.25 180.31 1l8y h LEU 34 N -0.80 0.48 0.11 0.00 6.46 0.07 0.17 115.31 121.81 1l8y h LEU 34 Ca -0.06 0.13 -0.18 0.00 -0.12 0.00 0.00 57.88 57.65 1l8y h LEU 34 Cb 0.54 0.07 0.02 0.00 -0.73 0.00 0.00 40.66 40.56 1l8y h LEU 34 CO 0.10 0.10 -0.78 0.11 -0.62 0.00 0.00 178.44 177.35 1l8y h LYS 35 N 0.52 0.34 -0.48 1.25 1.79 -1.65 0.89 116.57 119.23 1l8y h LYS 35 Ca 0.55 -0.51 0.14 0.00 -2.18 0.00 0.00 60.65 58.65 1l8y h LYS 35 Cb 0.97 0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 31.78 1l8y h LYS 35 CO -0.46 1.22 0.45 0.00 -1.08 0.00 0.00 179.45 179.58 1l8y h ALA 36 N 0.14 2.26 0.01 3.86 0.00 0.80 0.27 119.26 126.60 1l8y h ALA 36 Ca -0.13 -0.02 -0.41 0.00 0.00 0.00 0.00 54.91 54.36 1l8y h ALA 36 Cb 1.58 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 19.34 1l8y h ALA 36 CO 0.15 -0.70 -2.45 -0.12 0.00 0.00 0.00 179.25 176.13 1l8y n MET 37 N -3.89 0.64 0.12 0.00 0.00 -0.04 -4.06 117.12 109.89 1l8y n MET 37 Ca 0.09 0.20 -0.05 0.00 -0.00 0.00 0.00 57.70 57.94 1l8y n MET 37 Cb 0.65 -1.53 -0.02 0.00 0.00 0.00 0.00 33.22 32.32 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 -0.32 -0.29 -0.11 2.12 4.81 0.16 -1.83 114.58 119.11 1l8y h GLU 38 Ca -0.60 0.02 0.04 0.00 -0.13 0.00 0.00 59.36 58.68 1l8y h GLU 38 Cb 1.81 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 31.19 1l8y h GLU 38 CO -0.19 -0.20 -0.46 0.52 -0.73 0.00 0.00 179.01 177.96 1l8y h MET 39 N -0.32 -0.52 -0.19 1.92 2.86 -1.18 0.13 114.93 117.64 1l8y h MET 39 Ca -0.03 0.04 0.06 0.00 -2.06 0.00 0.00 59.70 57.70 1l8y h MET 39 Cb 0.23 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1l8y h MET 39 CO 0.05 -0.34 0.45 1.15 1.06 0.00 0.00 176.91 179.28 1l8y h THR 40 N -0.53 0.14 0.17 2.22 2.02 -1.65 0.91 112.91 116.19 1l8y h THR 40 Ca 0.06 0.00 -0.26 0.00 0.77 0.00 0.00 66.41 66.98 1l8y h THR 40 Cb 0.65 0.59 0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1l8y h THR 40 CO -0.40 0.00 -1.13 -0.25 0.37 0.00 0.00 175.52 174.11 1l8y h TRP 41 N 0.00 0.80 0.00 3.16 2.91 0.15 -3.25 115.95 119.72 1l8y h TRP 41 Ca 0.09 -0.56 -0.19 0.00 1.13 0.00 0.00 58.89 59.36 1l8y h TRP 41 Cb 0.98 -0.04 -0.03 0.00 -0.51 0.00 0.00 29.16 29.56 1l8y h TRP 41 CO 0.00 1.43 -1.21 -2.95 -1.03 0.00 0.00 178.44 174.67 1l8y h ASN 42 N -0.05 0.00 0.30 2.65 7.08 -0.46 -3.21 115.58 121.90 1l8y h ASN 42 Ca -0.19 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.03 1l8y h ASN 42 Cb 1.87 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 38.11 1l8y h ASN 42 CO 0.21 0.73 0.00 0.59 -2.08 0.00 0.00 177.43 176.88 1l8y n ASN 43 N -3.07 0.00 -0.20 6.14 3.02 0.30 -1.58 115.26 119.86 1l8y n ASN 43 Ca -0.07 0.35 0.04 0.00 -0.03 0.00 0.00 54.58 54.87 1l8y n ASN 43 Cb 0.88 -0.41 -0.00 0.00 -0.61 0.00 0.00 39.78 39.64 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 -1.41 2.12 0.00 3.52 1.56 -1.21 -5.02 117.12 116.67 1l8y n MET 44 Ca 0.04 -0.57 0.00 0.00 -0.27 0.00 0.00 57.70 56.89 1l8y n MET 44 Cb 0.11 -1.05 0.00 0.00 2.15 0.00 0.00 33.22 34.43 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 -0.26 0.00 -0.48 2.12 4.71 -0.62 -3.09 120.64 123.02 1l8y n GLU 45 Ca 0.04 0.00 0.43 0.00 -0.01 0.00 0.00 57.16 57.61 1l8y n GLU 45 Cb 0.18 0.00 0.78 0.00 -1.01 0.00 0.00 31.44 31.40 1l8y n GLU 45 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 1l8y h LYS 46 N 0.00 0.00 0.08 3.49 1.63 -1.90 -2.40 116.57 117.48 1l8y h LYS 46 Ca 0.00 -0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.81 1l8y h LYS 46 Cb 0.00 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 1l8y h LYS 46 CO 0.00 0.00 -0.32 -0.22 -3.45 0.00 0.00 179.45 175.46 1l8y h LYS 47 N 0.00 -0.45 0.00 1.90 1.63 -1.91 -2.58 116.57 115.17 1l8y h LYS 47 Ca 0.72 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.55 1l8y h LYS 47 Cb 2.89 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 34.62 1l8y h LYS 47 CO -0.02 -0.30 0.00 0.39 -3.45 0.00 0.00 179.45 176.08 1l8y n GLU 48 N -4.28 0.00 0.00 1.90 4.71 -0.91 -3.17 120.64 118.89 1l8y n GLU 48 Ca -0.05 0.18 0.00 0.00 -0.01 0.00 0.00 57.16 57.28 1l8y n GLU 48 Cb 0.25 -0.93 0.00 0.00 -1.01 0.00 0.00 31.44 29.75 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 -1.04 0.00 0.04 3.49 5.02 -1.16 -0.77 118.16 123.74 1l8y n LYS 49 Ca 0.00 0.45 -0.15 0.00 -2.02 0.00 0.00 58.31 56.59 1l8y n LYS 49 Cb 0.00 -0.71 -0.09 0.00 -0.02 0.00 0.00 35.03 34.21 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 -1.57 -2.06 -0.35 7.12 -1.67 -1.60 115.31 115.19 1l8y h LEU 50 Ca 0.00 0.18 0.11 0.00 0.13 0.00 0.00 57.88 58.30 1l8y h LEU 50 Cb 0.00 0.61 -0.02 0.00 -0.53 0.00 0.00 40.66 40.72 1l8y h LEU 50 CO 0.00 -0.50 0.33 0.24 -0.13 0.00 0.00 178.44 178.38 1l8y h MET 51 N -0.63 0.00 -0.33 1.25 2.86 -1.32 0.28 114.93 117.04 1l8y h MET 51 Ca 0.03 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.58 1l8y h MET 51 Cb 0.70 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 1l8y h MET 51 CO -0.37 0.00 -0.16 -1.49 1.06 0.00 0.00 176.91 175.95 1l8y h TRP 52 N 0.00 0.67 -0.00 -0.22 4.06 0.05 -2.80 115.95 117.70 1l8y h TRP 52 Ca 0.18 -0.12 0.02 0.00 2.06 0.00 0.00 58.89 61.03 1l8y h TRP 52 Cb 0.84 -0.17 -0.05 0.00 -1.00 0.00 0.00 29.16 28.78 1l8y h TRP 52 CO 0.00 0.73 -0.50 0.82 -3.56 0.00 0.00 178.44 175.93 1l8y h ILE 53 N 0.55 0.00 -0.32 1.49 2.04 -0.17 -1.69 117.51 119.41 1l8y h ILE 53 Ca 0.09 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.00 1l8y h ILE 53 Cb 0.59 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 1l8y h ILE 53 CO 0.04 0.00 0.22 0.50 0.00 0.00 0.00 178.15 178.91 1l8y h LYS 54 N -0.62 0.24 -0.20 2.37 3.64 -1.53 1.34 116.57 121.81 1l8y h LYS 54 Ca 0.01 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1l8y h LYS 54 Cb 0.67 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 1l8y h LYS 54 CO -0.34 0.16 0.10 -0.22 -2.27 0.00 0.00 179.45 176.88 1l8y h LYS 55 N 0.24 0.21 0.00 1.90 3.64 -1.05 1.87 116.57 123.39 1l8y h LYS 55 Ca 0.14 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1l8y h LYS 55 Cb 0.25 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1l8y h LYS 55 CO -0.03 0.14 -0.62 0.00 -2.27 0.00 0.00 179.45 176.68 1l8y h ALA 56 N 1.10 0.65 0.04 5.00 0.00 -1.05 -2.30 119.26 122.70 1l8y h ALA 56 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.77 1l8y h ALA 56 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1l8y h ALA 56 CO -0.05 0.00 -1.01 0.00 0.00 0.00 0.00 179.25 178.19 1l8y h ALA 57 N 2.22 0.36 0.00 0.00 0.00 0.23 2.61 119.26 124.68 1l8y h ALA 57 Ca 0.00 -0.82 -0.16 0.00 0.00 0.00 0.00 54.91 53.93 1l8y h ALA 57 Cb 0.89 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1l8y h ALA 57 CO 0.00 1.04 -0.75 1.49 0.00 0.00 0.00 179.25 181.03 1l8y h GLU 58 N 0.06 0.00 0.00 0.00 4.81 0.29 -2.85 114.58 116.89 1l8y h GLU 58 Ca -0.06 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.04 1l8y h GLU 58 Cb 1.71 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.07 1l8y h GLU 58 CO 0.15 0.75 -0.94 -0.44 -0.73 0.00 0.00 179.01 177.80 1l8y h ASP 59 N 0.00 0.00 0.19 1.04 5.19 -1.13 -3.26 116.42 118.45 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 1.38 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.89 1l8y h ASP 59 CO 0.10 0.52 0.00 1.67 -3.12 0.00 0.00 179.24 178.41 1l8y n GLN 60 N -3.05 0.05 -0.14 3.56 0.00 0.87 -1.56 117.38 117.11 1l8y n GLN 60 Ca -0.03 0.47 -0.12 0.00 -0.00 0.00 0.00 57.00 57.31 1l8y n GLN 60 Cb 0.78 -1.64 -0.02 0.00 0.00 0.00 0.00 30.24 29.36 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 0.94 0.23 3.69 3.64 -1.60 -3.14 116.57 120.33 1l8y h LYS 61 Ca 0.00 -0.45 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1l8y h LYS 61 Cb 0.09 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1l8y h LYS 61 CO 0.00 1.11 -0.46 0.00 -2.27 0.00 0.00 179.45 177.83 1l8y h ARG 62 N 0.77 -0.72 -0.80 1.90 2.47 -1.53 -2.31 114.38 114.17 1l8y h ARG 62 Ca 0.08 0.05 0.18 0.00 -1.26 0.00 0.00 59.98 59.03 1l8y h ARG 62 Cb 0.88 0.16 -0.15 0.00 -1.65 0.00 0.00 29.97 29.22 1l8y h ARG 62 CO 0.08 -0.48 -0.07 0.10 0.56 0.00 0.00 179.97 180.16 1l8y h TYR 63 N -0.75 -0.19 -1.01 3.04 -0.00 -1.69 0.75 116.97 117.12 1l8y h TYR 63 Ca -0.02 0.06 0.26 0.00 0.00 0.00 0.00 58.73 59.03 1l8y h TYR 63 Cb 0.71 0.21 -0.07 0.00 0.00 0.00 0.00 36.73 37.57 1l8y h TYR 63 CO -0.36 -0.30 0.67 0.93 -0.00 0.00 0.00 178.16 179.10 1l8y h GLU 64 N 0.05 0.29 0.00 0.10 5.08 -1.37 1.00 114.58 119.73 1l8y h GLU 64 Ca 0.42 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.69 1l8y h GLU 64 Cb 0.73 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1l8y h GLU 64 CO -0.76 0.19 -0.36 -0.09 -1.00 0.00 0.00 179.01 177.00 1l8y h ARG 65 N 0.30 0.00 0.15 2.33 9.65 0.77 -2.61 114.38 124.97 1l8y h ARG 65 Ca 0.54 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.41 1l8y h ARG 65 Cb 1.55 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.13 1l8y h ARG 65 CO -0.20 0.36 -0.07 0.93 2.80 0.00 0.00 179.97 183.79 1l8y h GLU 66 N 0.00 -0.19 0.43 0.20 3.07 0.15 -3.13 114.58 115.10 1l8y h GLU 66 Ca -0.00 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.85 1l8y h GLU 66 Cb 1.04 0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.99 1l8y h GLU 66 CO 0.05 -0.13 -0.21 1.37 -1.40 0.00 0.00 179.01 178.69 1l8y h LEU 67 N -0.30 -0.49 -1.22 1.33 -0.00 -1.62 -3.22 115.31 109.79 1l8y h LEU 67 Ca -0.02 0.02 0.18 0.00 -0.00 0.00 0.00 57.88 58.05 1l8y h LEU 67 Cb 0.15 0.13 -0.02 0.00 -0.00 0.00 0.00 40.66 40.92 1l8y h LEU 67 CO 0.03 -0.19 0.90 -1.28 -0.00 0.00 0.00 178.44 177.90 1l8y h SER 68 N -0.89 0.00 -1.14 0.17 0.87 -1.68 -0.03 113.55 110.85 1l8y h SER 68 Ca -0.06 0.00 0.33 0.00 -1.23 0.00 0.00 61.79 60.83 1l8y h SER 68 Cb 0.44 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.36 1l8y h SER 68 CO 0.10 0.00 0.85 1.05 -0.53 0.00 0.00 176.83 178.30 1l8y h GLU 69 N 0.00 0.00 0.14 2.24 4.11 -1.55 0.35 114.58 119.86 1l8y h GLU 69 Ca 0.29 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 59.42 1l8y h GLU 69 Cb 2.08 0.00 0.02 0.00 0.50 0.00 0.00 28.75 31.36 1l8y h GLU 69 CO -0.00 0.00 -1.26 0.52 0.07 0.00 0.00 179.01 178.34 1l8y h MET 70 N 0.00 0.53 -0.98 1.06 2.86 -1.23 -3.31 114.93 113.86 1l8y h MET 70 Ca 0.54 -0.75 -0.66 0.00 -2.06 0.00 0.00 59.70 56.78 1l8y h MET 70 Cb 2.25 0.26 -0.30 0.00 0.06 0.00 0.00 31.60 33.86 1l8y h MET 70 CO -0.01 1.34 0.75 -2.13 1.06 0.00 0.00 176.91 177.92 1l8y n ARG 71 N -3.73 2.71 -2.69 1.72 0.63 0.12 -4.45 116.66 110.96 1l8y n ARG 71 Ca -0.13 -3.32 -0.07 0.00 -0.92 0.00 0.00 57.85 53.41 1l8y n ARG 71 Cb 1.00 -2.28 0.10 0.00 0.45 0.00 0.00 32.46 31.73 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 1.80 -0.14 5.13 0.00 -0.69 -4.99 120.51 120.70 1l8y n ALA 72 Ca 0.61 -1.67 -0.05 0.00 0.00 0.00 0.00 53.44 52.33 1l8y n ALA 72 Cb 0.76 -0.97 0.04 0.00 0.00 0.00 0.00 19.45 19.27 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 2.15 0.35 -1.03 0.00 0.11 -1.78 -2.00 132.00 129.81 1l8y h PRO 73 Ca -0.25 -0.02 -0.34 0.00 0.11 0.00 0.00 66.00 65.49 1l8y h PRO 73 Cb 1.27 -0.08 -0.20 0.00 0.11 0.00 0.00 31.00 32.11 1l8y h PRO 73 CO 0.04 0.23 0.44 -0.35 -0.21 0.00 0.00 178.00 178.15 1l8y n PRO 74 N -4.97 1.83 -1.36 1.05 -0.04 -1.26 -4.47 135.00 125.78 1l8y n PRO 74 Ca 0.03 -1.95 -0.34 0.00 -0.04 0.00 0.00 63.50 61.20 1l8y n PRO 74 Cb 0.14 -1.76 0.08 0.00 -0.04 0.00 0.00 33.50 31.92 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 -0.51 6.28 -2.33 0.55 0.00 -0.75 -3.60 120.51 120.14 1l8y n ALA 75 Ca 0.39 -3.49 0.01 0.00 0.00 0.00 0.00 53.44 50.35 1l8y n ALA 75 Cb 1.20 -1.71 -0.00 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.91 2.68 0.00 0.00 0.00 -1.26 -4.85 120.51 116.17 1l8y n ALA 76 Ca 0.62 -1.80 0.00 0.00 0.00 0.00 0.00 53.44 52.27 1l8y n ALA 76 Cb 0.68 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.52 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 0.33 0.00 0.11 0.00 5.66 -1.26 -4.96 114.28 114.16 1l8y n THR 77 Ca -0.03 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.93 1l8y n THR 77 Cb 0.99 0.00 0.08 0.00 -1.55 0.00 0.00 70.33 69.85 1l8y n THR 77 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 175.07 172.80 1l8y h ASN 78 N 0.00 0.05 0.00 1.09 4.21 -1.93 -3.33 115.58 115.67 1l8y h ASN 78 Ca 0.00 -0.03 -0.67 0.00 1.21 0.00 0.00 56.30 56.81 1l8y h ASN 78 Cb 0.00 -0.01 0.02 0.00 -1.12 0.00 0.00 38.32 37.21 1l8y h ASN 78 CO 0.00 0.77 3.74 -1.20 -1.29 0.00 0.00 177.43 179.44 1l8y n SER 79 N -3.68 8.02 0.03 5.81 7.64 -1.25 -3.86 113.62 126.33 1l8y n SER 79 Ca -0.01 -2.60 0.00 0.00 1.01 0.00 0.00 58.87 57.27 1l8y n SER 79 Cb 0.71 -1.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 1l8y n SER 79 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1l8y n SER 80 N 3.94 -0.47 0.00 6.43 2.88 -1.26 -4.93 113.62 120.21 1l8y n SER 80 Ca 0.74 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 58.67 1l8y n SER 80 Cb 0.25 0.74 0.00 0.00 -0.75 0.00 0.00 64.21 64.45 1l8y n SER 80 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1l8y n LYS 81 N -2.60 0.00 -2.75 -1.46 5.02 -1.25 -3.44 118.16 111.67 1l8y n LYS 81 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 1l8y n LYS 81 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.04 1l8y n LYS 81 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1l8y n LYS 82 N 0.00 0.62 -1.47 1.97 0.00 -1.26 -5.14 118.16 112.88 1l8y n LYS 82 Ca 0.00 -1.88 0.13 0.00 0.00 0.00 0.00 58.31 56.56 1l8y n LYS 82 Cb 0.00 -1.42 -0.07 0.00 0.00 0.00 0.00 35.03 33.54 1l8y n LYS 82 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1l8y n LEU 83 N 2.42 -1.21 0.00 3.14 -0.00 -1.22 -5.30 117.00 114.83 1l8y n LEU 83 Ca 0.14 2.53 0.00 0.00 -0.00 0.00 0.00 56.01 58.69 1l8y n LEU 83 Cb 0.59 -3.04 0.00 0.00 -0.00 0.00 0.00 43.42 40.97 1l8y n LEU 83 CO -0.00 -1.77 0.00 1.21 -0.00 0.00 0.00 177.39 176.83