#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 3.61 -2.67 1.61 0.00 -0.86 -4.85 118.16 115.00 1l8y n LYS 2 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 58.31 58.22 1l8y n LYS 2 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 35.03 35.07 1l8y n LYS 2 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1l8y n LEU 3 N 0.00 1.05 0.00 3.14 -0.00 -1.26 -4.75 117.00 115.18 1l8y n LEU 3 Ca 0.00 -3.66 0.00 0.00 -0.00 0.00 0.00 56.01 52.35 1l8y n LEU 3 Cb 0.00 0.38 0.00 0.00 -0.00 0.00 0.00 43.42 43.80 1l8y n LEU 3 CO 0.00 1.59 0.00 -0.81 -0.00 0.00 0.00 177.39 178.17 1l8y n PRO 4 N -0.14 0.00 0.00 1.47 -0.04 -1.26 -5.04 135.00 129.99 1l8y n PRO 4 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1l8y n PRO 4 Cb 0.82 -0.22 0.00 0.00 -0.04 0.00 0.00 33.50 34.07 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 0.00 3.56 0.00 0.54 2.13 -1.26 -5.09 120.64 120.52 1l8y n GLU 5 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1l8y n GLU 5 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 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 0.00 0.00 -2.74 4.31 7.64 -1.26 -4.83 113.62 116.74 1l8y n SER 6 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1l8y n SER 6 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 2.11 -1.09 1.43 -0.02 -1.26 -5.00 135.00 131.17 1l8y n PRO 7 Ca 0.00 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.43 1l8y n PRO 7 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 33.43 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 -0.81 -4.96 118.16 114.88 1l8y n LYS 8 Ca 0.00 -1.18 0.00 0.00 -0.00 0.00 0.00 58.31 57.13 1l8y n LYS 8 Cb 0.00 0.40 0.00 0.00 0.00 0.00 0.00 35.03 35.43 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 0.09 0.00 0.00 1.64 5.12 0.94 -3.31 116.66 121.14 1l8y n ARG 9 Ca -0.21 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.71 1l8y n ARG 9 Cb 0.78 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.08 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 5.74 -0.01 -0.35 7.54 0.00 -0.82 -2.26 120.51 130.36 1l8y n ALA 10 Ca 0.00 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.69 1l8y n ALA 10 Cb 0.00 0.00 0.50 0.00 0.00 0.00 0.00 19.45 19.95 1l8y n ALA 10 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1l8y h GLU 11 N 0.00 0.30 0.63 0.00 4.81 -1.61 0.10 114.58 118.81 1l8y h GLU 11 Ca 0.00 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1l8y h GLU 11 Cb 0.00 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.32 1l8y h GLU 11 CO 0.00 0.20 -0.30 1.49 -0.73 0.00 0.00 179.01 179.66 1l8y h GLU 12 N 0.31 -0.81 -0.13 1.92 4.57 0.29 0.82 114.58 121.55 1l8y h GLU 12 Ca 0.73 0.06 0.03 0.00 -1.18 0.00 0.00 59.36 59.00 1l8y h GLU 12 Cb 1.77 0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 30.52 1l8y h GLU 12 CO -0.54 -0.54 -0.07 0.97 -1.18 0.00 0.00 179.01 177.64 1l8y h ILE 13 N -0.99 0.77 0.47 2.32 6.09 -0.49 -2.70 117.51 122.97 1l8y h ILE 13 Ca -0.09 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.38 1l8y h ILE 13 Cb 0.65 0.77 0.00 0.00 0.47 0.00 0.00 36.82 38.71 1l8y h ILE 13 CO 0.14 0.00 -0.22 -0.25 -3.07 0.00 0.00 178.15 174.75 1l8y h TRP 14 N -0.07 -0.58 -0.35 2.19 7.01 -0.87 -2.16 115.95 121.11 1l8y h TRP 14 Ca 0.08 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.10 1l8y h TRP 14 Cb 0.18 0.19 -0.05 0.00 -2.10 0.00 0.00 29.16 27.38 1l8y h TRP 14 CO -0.20 -0.36 -0.32 0.37 -2.79 0.00 0.00 178.44 175.14 1l8y h GLN 15 N -1.11 -0.13 -0.51 2.65 5.75 0.62 1.08 115.11 123.44 1l8y h GLN 15 Ca -0.06 0.01 0.15 0.00 -0.15 0.00 0.00 58.65 58.59 1l8y h GLN 15 Cb 0.48 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.04 1l8y h GLN 15 CO 0.11 -0.09 0.45 1.96 -2.65 0.00 0.00 178.83 178.61 1l8y h GLN 16 N -0.14 0.00 -0.01 1.69 1.08 -1.58 1.14 115.11 117.29 1l8y h GLN 16 Ca 0.06 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.06 1l8y h GLN 16 Cb 0.29 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.74 1l8y h GLN 16 CO -0.40 0.00 -0.77 0.77 -0.95 0.00 0.00 178.83 177.47 1l8y h SER 17 N 0.00 0.70 0.00 1.46 0.02 0.15 -3.35 113.55 112.53 1l8y h SER 17 Ca 0.24 -0.74 -0.18 0.00 -0.84 0.00 0.00 61.79 60.27 1l8y h SER 17 Cb 1.15 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.45 1l8y h SER 17 CO -0.00 1.35 -1.41 1.33 -1.14 0.00 0.00 176.83 176.95 1l8y n VAL 18 N -4.07 1.50 -0.50 2.27 0.24 0.22 -4.44 118.33 113.55 1l8y n VAL 18 Ca -0.10 -0.03 0.40 0.00 -2.04 0.00 0.00 64.34 62.56 1l8y n VAL 18 Cb 0.75 -2.16 0.64 0.00 -1.47 0.00 0.00 33.84 31.60 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 -4.42 -0.12 -0.19 1.34 3.06 0.37 0.15 119.36 119.55 1l8y n ILE 19 Ca -0.28 1.43 -0.09 0.00 -2.50 0.00 0.00 62.75 61.30 1l8y n ILE 19 Cb 0.61 -2.35 0.01 0.00 0.54 0.00 0.00 39.64 38.45 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 1.00 2.00 4.50 0.00 -1.70 0.88 103.07 109.75 1l8y h GLY 20 Ca 0.78 -0.71 -0.09 0.00 0.00 0.00 0.00 47.33 47.32 1l8y h GLY 20 CO -0.22 0.65 -0.42 -1.80 0.00 0.00 0.00 176.54 174.74 1l8y h ASP 21 N 0.81 0.00 0.17 0.19 1.82 0.12 -1.56 116.42 117.97 1l8y h ASP 21 Ca 0.16 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.57 1l8y h ASP 21 Cb 0.47 0.00 0.03 0.00 0.68 0.00 0.00 39.33 40.51 1l8y h ASP 21 CO 0.02 0.42 -1.01 1.88 -1.61 0.00 0.00 179.24 178.94 1l8y h TYR 22 N 0.00 0.66 0.00 0.28 0.05 -0.84 -2.90 116.97 114.22 1l8y h TYR 22 Ca -0.00 -0.48 -0.09 0.00 0.05 0.00 0.00 58.73 58.21 1l8y h TYR 22 Cb 1.32 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 39.03 1l8y h TYR 22 CO 0.00 1.39 -0.43 -0.07 -1.05 0.00 0.00 178.16 178.00 1l8y h LEU 23 N -0.23 0.00 -0.05 3.88 3.38 0.72 -3.22 115.31 119.78 1l8y h LEU 23 Ca -0.18 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1l8y h LEU 23 Cb 1.79 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.54 1l8y h LEU 23 CO 0.18 0.43 -0.01 0.00 0.09 0.00 0.00 178.44 179.13 1l8y h ALA 24 N 1.57 0.07 -1.04 1.53 0.00 -1.34 1.24 119.26 121.30 1l8y h ALA 24 Ca -0.00 -0.20 0.27 0.00 0.00 0.00 0.00 54.91 54.97 1l8y h ALA 24 Cb 0.97 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.63 1l8y h ALA 24 CO 0.06 -0.22 0.64 0.07 0.00 0.00 0.00 179.25 179.80 1l8y h ARG 25 N -0.25 0.45 -0.04 0.00 0.11 -1.52 -1.42 114.38 111.71 1l8y h ARG 25 Ca 0.01 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1l8y h ARG 25 Cb 0.40 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.38 1l8y h ARG 25 CO 0.00 0.29 0.00 0.34 0.10 0.00 0.00 179.97 180.71 1l8y n PHE 26 N -4.75 0.05 -4.22 4.08 -0.00 -1.20 -4.98 117.46 106.45 1l8y n PHE 26 Ca 0.27 -0.36 -0.36 0.00 -0.00 0.00 0.00 57.45 56.99 1l8y n PHE 26 Cb 0.85 -0.03 -0.03 0.00 -0.00 0.00 0.00 39.48 40.27 1l8y n PHE 26 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 1l8y n LYS 27 N -0.22 -3.16 0.00 -4.13 0.00 0.40 -4.07 118.16 106.98 1l8y n LYS 27 Ca 0.02 0.37 0.00 0.00 0.00 0.00 0.00 58.31 58.70 1l8y n LYS 27 Cb 0.21 -5.11 0.00 0.00 0.00 0.00 0.00 35.03 30.13 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 -2.64 0.00 0.00 3.14 5.15 0.59 -4.99 115.26 116.52 1l8y n ASN 28 Ca 0.08 0.00 0.14 0.00 -0.60 0.00 0.00 54.58 54.21 1l8y n ASN 28 Cb 0.49 0.00 0.86 0.00 -0.53 0.00 0.00 39.78 40.59 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 -0.08 -1.23 -4.47 116.55 111.97 1l8y n ASP 29 Ca 0.00 -0.93 0.00 0.00 -1.51 0.00 0.00 54.79 52.35 1l8y n ASP 29 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1l8y n ASP 29 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1l8y n ARG 30 N -0.99 0.00 -0.13 -0.67 3.00 -1.26 0.20 116.66 116.80 1l8y n ARG 30 Ca 0.22 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.98 1l8y n ARG 30 Cb 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.53 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 0.17 0.00 5.15 2.07 -1.98 1.04 116.25 122.70 1l8y h VAL 31 Ca 0.00 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.39 1l8y h VAL 31 Cb 0.00 0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 1l8y h VAL 31 CO 0.00 0.00 -0.61 0.11 0.02 0.00 0.00 177.57 177.09 1l8y h LYS 32 N -0.28 0.00 0.51 1.57 1.79 0.19 -3.27 116.57 117.08 1l8y h LYS 32 Ca 0.16 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.61 1l8y h LYS 32 Cb 0.56 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.22 1l8y h LYS 32 CO -0.57 0.61 -0.24 0.00 -1.08 0.00 0.00 179.45 178.17 1l8y h ALA 33 N 1.39 -0.68 -0.85 3.86 0.00 0.82 0.84 119.26 124.63 1l8y h ALA 33 Ca -0.01 -0.19 0.25 0.00 0.00 0.00 0.00 54.91 54.96 1l8y h ALA 33 Cb 1.32 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 1l8y h ALA 33 CO 0.08 -0.70 0.67 1.25 0.00 0.00 0.00 179.25 180.55 1l8y h LEU 34 N -1.04 0.00 0.05 0.00 7.12 0.92 -0.90 115.31 121.45 1l8y h LEU 34 Ca -0.07 0.00 -0.37 0.00 0.13 0.00 0.00 57.88 57.57 1l8y h LEU 34 Cb 0.60 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 40.69 1l8y h LEU 34 CO 0.11 0.00 -2.18 0.29 -0.13 0.00 0.00 178.44 176.54 1l8y n LYS 35 N -4.07 0.68 0.08 1.25 4.76 -1.17 -1.95 118.16 117.75 1l8y n LYS 35 Ca 0.18 0.25 0.21 0.00 -2.87 0.00 0.00 58.31 56.07 1l8y n LYS 35 Cb 0.97 -1.62 0.74 0.00 -1.84 0.00 0.00 35.03 33.29 1l8y n LYS 35 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1l8y h ALA 36 N -0.13 2.15 0.02 7.82 0.00 0.17 -0.37 119.26 128.92 1l8y h ALA 36 Ca -0.51 -0.01 -0.39 0.00 0.00 0.00 0.00 54.91 53.99 1l8y h ALA 36 Cb 1.86 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.63 1l8y h ALA 36 CO -0.07 -0.66 -2.26 -0.12 0.00 0.00 0.00 179.25 176.13 1l8y n MET 37 N -3.76 0.63 0.17 0.00 0.00 -0.44 -3.80 117.12 109.92 1l8y n MET 37 Ca 0.08 0.27 -0.07 0.00 -0.00 0.00 0.00 57.70 57.97 1l8y n MET 37 Cb 0.63 -1.57 -0.04 0.00 0.00 0.00 0.00 33.22 32.24 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 -0.51 -0.44 -0.05 2.12 4.81 -0.67 -0.26 114.58 119.58 1l8y h GLU 38 Ca -0.57 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 58.72 1l8y h GLU 38 Cb 1.73 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 31.16 1l8y h GLU 38 CO -0.21 -0.29 -0.20 0.52 -0.73 0.00 0.00 179.01 178.10 1l8y h MET 39 N -0.46 -0.28 0.00 1.92 2.86 -1.35 0.32 114.93 117.94 1l8y h MET 39 Ca -0.04 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1l8y h MET 39 Cb 0.36 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1l8y h MET 39 CO 0.05 -0.19 0.05 2.41 1.06 0.00 0.00 176.91 180.30 1l8y n THR 40 N -5.33 1.45 -0.13 2.22 -1.04 -1.22 -1.11 114.28 109.12 1l8y n THR 40 Ca -0.04 0.60 -0.26 0.00 -2.04 0.00 0.00 64.05 62.31 1l8y n THR 40 Cb 0.25 -1.60 -0.10 0.00 -1.82 0.00 0.00 70.33 67.06 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 -1.77 0.28 0.36 -1.42 -0.00 0.26 -4.31 117.44 110.83 1l8y n TRP 41 Ca -0.01 0.12 0.04 0.00 -0.00 0.00 0.00 57.50 57.66 1l8y n TRP 41 Cb 0.07 -0.99 0.20 0.00 -0.00 0.00 0.00 31.31 30.59 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 -4.32 0.00 -0.43 5.87 3.02 0.86 -1.24 115.26 119.02 1l8y n ASN 42 Ca -0.45 0.31 0.12 0.00 -0.03 0.00 0.00 54.58 54.53 1l8y n ASN 42 Cb 0.80 -0.38 0.25 0.00 -0.61 0.00 0.00 39.78 39.84 1l8y n ASN 42 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1l8y n ASN 43 N -1.38 1.59 -0.03 6.41 3.02 -0.27 -4.25 115.26 120.36 1l8y n ASN 43 Ca 0.03 -1.28 -0.02 0.00 -0.03 0.00 0.00 54.58 53.29 1l8y n ASN 43 Cb 0.08 0.21 -0.05 0.00 -0.61 0.00 0.00 39.78 39.41 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 -0.15 2.25 0.00 3.52 1.56 -0.37 -5.09 117.12 118.84 1l8y n MET 44 Ca 0.12 -0.02 0.00 0.00 -0.27 0.00 0.00 57.70 57.54 1l8y n MET 44 Cb 0.41 -1.17 0.00 0.00 2.15 0.00 0.00 33.22 34.61 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 -2.13 0.00 -0.09 2.12 1.02 -1.12 -2.76 120.64 117.67 1l8y n GLU 45 Ca -0.09 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.13 1l8y n GLU 45 Cb 0.59 0.00 0.15 0.00 -0.02 0.00 0.00 31.44 32.16 1l8y n GLU 45 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1l8y n LYS 46 N 0.00 -0.01 -0.14 3.49 3.00 -1.26 -0.73 118.16 122.51 1l8y n LYS 46 Ca 0.00 0.33 -0.14 0.00 -0.00 0.00 0.00 58.31 58.50 1l8y n LYS 46 Cb 0.00 -0.60 -0.10 0.00 0.00 0.00 0.00 35.03 34.33 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 -0.38 0.00 1.64 1.63 -1.94 -3.08 116.57 114.44 1l8y h LYS 47 Ca 0.21 0.03 -0.46 0.00 -0.85 0.00 0.00 60.65 59.57 1l8y h LYS 47 Cb 0.58 0.09 -0.07 0.00 -0.60 0.00 0.00 32.23 32.22 1l8y h LYS 47 CO -0.17 -0.25 -2.51 0.39 -3.45 0.00 0.00 179.45 173.45 1l8y n GLU 48 N -5.37 0.59 -0.25 1.90 -0.58 0.09 -4.41 120.64 112.61 1l8y n GLU 48 Ca -0.04 0.27 0.02 0.00 -0.42 0.00 0.00 57.16 56.99 1l8y n GLU 48 Cb 0.34 -1.50 0.06 0.00 -0.57 0.00 0.00 31.44 29.77 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 -4.26 -0.11 -0.17 3.49 4.01 -0.72 0.73 118.16 121.14 1l8y n LYS 49 Ca -0.54 1.04 -0.08 0.00 -0.51 0.00 0.00 58.31 58.22 1l8y n LYS 49 Cb 0.88 -1.55 0.01 0.00 -0.51 0.00 0.00 35.03 33.86 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 0.65 -0.50 -0.35 -0.00 -1.75 -2.68 115.31 110.67 1l8y h LEU 50 Ca 0.28 -0.15 -0.16 0.00 -0.00 0.00 0.00 57.88 57.84 1l8y h LEU 50 Cb 0.45 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 40.92 1l8y h LEU 50 CO -0.68 0.63 -0.73 0.24 -0.00 0.00 0.00 178.44 177.89 1l8y h MET 51 N 0.63 0.14 -0.48 1.13 2.86 0.10 -3.04 114.93 116.27 1l8y h MET 51 Ca 0.16 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 1l8y h MET 51 Cb 0.17 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 1l8y h MET 51 CO -0.02 0.81 0.11 -1.49 1.06 0.00 0.00 176.91 177.39 1l8y h TRP 52 N 0.09 0.74 0.20 -0.22 4.06 -0.35 -2.45 115.95 118.03 1l8y h TRP 52 Ca -0.02 -0.06 -0.00 0.00 2.06 0.00 0.00 58.89 60.86 1l8y h TRP 52 Cb 1.29 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 29.22 1l8y h TRP 52 CO 0.02 0.64 -0.22 0.82 -3.56 0.00 0.00 178.44 176.13 1l8y h ILE 53 N 0.71 0.00 -0.68 1.49 2.04 -1.36 -2.21 117.51 117.50 1l8y h ILE 53 Ca 0.16 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.21 1l8y h ILE 53 Cb 0.27 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.32 1l8y h ILE 53 CO -0.00 0.00 0.62 0.50 0.00 0.00 0.00 178.15 179.27 1l8y h LYS 54 N -0.43 0.00 0.59 2.37 1.63 -1.50 2.03 116.57 121.25 1l8y h LYS 54 Ca -0.02 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.75 1l8y h LYS 54 Cb 0.38 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.01 1l8y h LYS 54 CO -0.04 0.00 -0.28 -0.22 -3.45 0.00 0.00 179.45 175.46 1l8y h LYS 55 N 0.00 -0.76 0.00 1.90 3.64 -0.91 1.42 116.57 121.86 1l8y h LYS 55 Ca 0.32 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1l8y h LYS 55 Cb 1.56 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.55 1l8y h LYS 55 CO -0.00 -0.51 0.00 0.00 -2.27 0.00 0.00 179.45 176.67 1l8y h ALA 56 N -1.57 1.00 -0.00 5.00 0.00 -0.92 -2.57 119.26 120.19 1l8y h ALA 56 Ca -0.08 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.60 1l8y h ALA 56 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1l8y h ALA 56 CO 0.13 0.00 -0.94 0.00 0.00 0.00 0.00 179.25 178.45 1l8y h ALA 57 N 2.49 0.36 0.00 0.00 0.00 0.34 2.04 119.26 124.48 1l8y h ALA 57 Ca 0.00 -0.70 -0.05 0.00 0.00 0.00 0.00 54.91 54.16 1l8y h ALA 57 Cb 0.75 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1l8y h ALA 57 CO 0.00 0.81 -0.23 1.49 0.00 0.00 0.00 179.25 181.31 1l8y h GLU 58 N 0.25 0.00 0.17 0.00 4.81 0.22 -1.20 114.58 118.82 1l8y h GLU 58 Ca -0.08 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.85 1l8y h GLU 58 Cb 1.57 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.97 1l8y h GLU 58 CO 0.16 0.23 -1.35 0.22 -0.73 0.00 0.00 179.01 177.54 1l8y h ASP 59 N 0.00 0.57 -0.12 1.04 3.58 -0.92 -3.23 116.42 117.34 1l8y h ASP 59 Ca -0.00 -0.62 0.03 0.00 0.42 0.00 0.00 57.03 56.86 1l8y h ASP 59 Cb 0.46 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.32 1l8y h ASP 59 CO 0.03 1.49 0.19 -0.61 -2.88 0.00 0.00 179.24 177.46 1l8y h GLN 60 N 0.10 0.00 -0.72 0.28 -0.00 0.45 0.64 115.11 115.86 1l8y h GLN 60 Ca -0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.45 1l8y h GLN 60 Cb 2.04 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 29.49 1l8y h GLN 60 CO 0.22 0.00 0.37 -0.22 0.00 0.00 0.00 178.83 179.20 1l8y h LYS 61 N 0.00 1.00 0.00 1.69 3.11 -1.48 0.36 116.57 121.25 1l8y h LYS 61 Ca 0.05 -0.12 -0.02 0.00 -2.81 0.00 0.00 60.65 57.75 1l8y h LYS 61 Cb 0.44 -0.19 -0.00 0.00 -1.00 0.00 0.00 32.23 31.47 1l8y h LYS 61 CO -0.00 0.75 -0.11 0.00 -2.81 0.00 0.00 179.45 177.28 1l8y h ARG 62 N 1.00 0.00 0.00 1.90 2.47 -1.05 -2.44 114.38 116.26 1l8y h ARG 62 Ca 0.25 0.00 -0.12 0.00 -1.26 0.00 0.00 59.98 58.85 1l8y h ARG 62 Cb 0.06 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.36 1l8y h ARG 62 CO -0.04 0.11 -0.94 0.98 0.56 0.00 0.00 179.97 180.65 1l8y n TYR 63 N -3.27 0.91 -0.08 3.04 9.36 -0.41 -4.06 117.16 122.64 1l8y n TYR 63 Ca 0.00 0.39 -0.07 0.00 3.32 0.00 0.00 57.90 61.55 1l8y n TYR 63 Cb 0.36 -0.92 -0.00 0.00 -0.63 0.00 0.00 39.34 38.15 1l8y n TYR 63 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 1l8y h GLU 64 N -1.00 0.04 0.00 2.98 4.57 -0.41 -0.50 114.58 120.26 1l8y h GLU 64 Ca -0.18 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1l8y h GLU 64 Cb 0.92 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.50 1l8y h GLU 64 CO -0.11 0.03 0.00 0.54 -1.18 0.00 0.00 179.01 178.29 1l8y n ARG 65 N -5.21 0.38 -0.05 1.92 3.00 -0.92 -2.29 116.66 113.49 1l8y n ARG 65 Ca -0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.85 57.80 1l8y n ARG 65 Cb 0.16 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 31.11 1l8y n ARG 65 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 1l8y n GLU 66 N -1.00 0.27 0.27 5.56 1.02 -0.22 -4.04 120.64 122.50 1l8y n GLU 66 Ca 0.09 0.17 -0.11 0.00 -0.02 0.00 0.00 57.16 57.29 1l8y n GLU 66 Cb 0.04 -1.04 -0.05 0.00 -0.02 0.00 0.00 31.44 30.37 1l8y n GLU 66 CO 0.00 0.00 0.00 1.37 1.18 0.00 0.00 177.13 179.68 1l8y h LEU 67 N -0.53 -0.59 -0.42 -4.62 8.10 -1.51 -2.70 115.31 113.05 1l8y h LEU 67 Ca 0.00 0.02 0.08 0.00 0.11 0.00 0.00 57.88 58.09 1l8y h LEU 67 Cb 0.48 0.15 -0.07 0.00 -0.44 0.00 0.00 40.66 40.78 1l8y h LEU 67 CO 0.00 -0.39 -0.00 -1.28 -4.11 0.00 0.00 178.44 172.66 1l8y h SER 68 N -0.77 -0.17 -0.45 0.17 0.87 -1.72 0.15 113.55 111.63 1l8y h SER 68 Ca -0.07 0.10 0.13 0.00 -1.23 0.00 0.00 61.79 60.72 1l8y h SER 68 Cb 0.54 0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.65 1l8y h SER 68 CO 0.12 -0.05 0.47 -0.33 -0.53 0.00 0.00 176.83 176.51 1l8y h GLU 69 N 0.11 0.00 0.00 2.24 5.08 -1.63 0.64 114.58 121.01 1l8y h GLU 69 Ca 0.21 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 1l8y h GLU 69 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1l8y h GLU 69 CO -0.34 0.00 -0.21 1.98 -1.00 0.00 0.00 179.01 179.43 1l8y h MET 70 N 0.00 0.00 -0.50 2.33 4.05 -0.38 -3.39 114.93 117.03 1l8y h MET 70 Ca 0.22 0.00 -0.31 0.00 -0.28 0.00 0.00 59.70 59.33 1l8y h MET 70 Cb 1.15 0.00 -0.20 0.00 -0.80 0.00 0.00 31.60 31.75 1l8y h MET 70 CO -0.00 0.21 -0.65 0.54 0.23 0.00 0.00 176.91 177.24 1l8y n ARG 71 N -3.16 0.77 0.02 0.39 3.00 0.20 -4.92 116.66 112.96 1l8y n ARG 71 Ca 0.03 -2.11 -0.22 0.00 -0.01 0.00 0.00 57.85 55.54 1l8y n ARG 71 Cb 0.61 -1.40 -0.14 0.00 0.00 0.00 0.00 32.46 31.53 1l8y n ARG 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1l8y h ALA 72 N 3.97 0.24 -0.93 7.54 0.00 -1.08 -3.35 119.26 125.66 1l8y h ALA 72 Ca -0.09 -1.19 0.27 0.00 0.00 0.00 0.00 54.91 53.90 1l8y h ALA 72 Cb 0.99 0.55 -0.15 0.00 0.00 0.00 0.00 17.79 19.18 1l8y h ALA 72 CO 0.36 1.00 0.27 -1.35 0.00 0.00 0.00 179.25 179.53 1l8y h PRO 73 N -0.15 0.16 -1.07 0.00 0.11 -1.94 0.63 132.00 129.74 1l8y h PRO 73 Ca -0.35 -0.01 -0.60 0.00 0.11 0.00 0.00 66.00 65.15 1l8y h PRO 73 Cb 1.89 -0.04 -0.27 0.00 0.11 0.00 0.00 31.00 32.70 1l8y h PRO 73 CO 0.08 0.11 0.77 -0.35 -0.21 0.00 0.00 178.00 178.39 1l8y n PRO 74 N -5.26 2.47 -1.12 1.05 -0.04 -1.26 -4.61 135.00 126.24 1l8y n PRO 74 Ca 0.25 -2.97 -0.26 0.00 -0.04 0.00 0.00 63.50 60.48 1l8y n PRO 74 Cb 0.80 -2.16 0.08 0.00 -0.04 0.00 0.00 33.50 32.18 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 -0.78 5.67 -2.13 0.55 0.00 0.22 -3.12 120.51 120.93 1l8y n ALA 75 Ca 0.57 -2.66 0.02 0.00 0.00 0.00 0.00 53.44 51.37 1l8y n ALA 75 Cb 0.82 -1.56 0.02 0.00 0.00 0.00 0.00 19.45 18.73 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 -0.50 2.18 0.00 0.00 0.00 -1.26 -4.69 120.51 116.23 1l8y n ALA 76 Ca 0.50 -1.59 0.00 0.00 0.00 0.00 0.00 53.44 52.34 1l8y n ALA 76 Cb 0.80 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.67 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 -0.09 0.00 -2.24 -1.26 -4.98 114.28 105.81 1l8y n THR 77 Ca 0.03 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.59 1l8y n THR 77 Cb 0.86 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.97 1l8y n THR 77 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 1l8y h ASN 78 N 0.00 0.04 0.01 3.42 2.35 -1.83 -3.26 115.58 116.30 1l8y h ASN 78 Ca 0.00 -0.56 0.02 0.00 -0.55 0.00 0.00 56.30 55.21 1l8y h ASN 78 Cb 0.00 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 1l8y h ASN 78 CO 0.00 1.52 -0.13 0.28 -1.65 0.00 0.00 177.43 177.45 1l8y h SER 79 N -0.90 -0.37 -0.11 5.81 0.02 -1.84 -1.75 113.55 114.41 1l8y h SER 79 Ca -0.35 0.05 0.01 0.00 -0.84 0.00 0.00 61.79 60.67 1l8y h SER 79 Cb 1.37 0.15 -0.01 0.00 0.14 0.00 0.00 62.40 64.06 1l8y h SER 79 CO -0.18 -0.18 0.07 0.28 -1.14 0.00 0.00 176.83 175.68 1l8y h SER 80 N -0.22 0.07 -3.93 3.07 0.02 -1.84 -3.33 113.55 107.39 1l8y h SER 80 Ca 0.04 -0.00 -0.73 0.00 -0.84 0.00 0.00 61.79 60.26 1l8y h SER 80 Cb 0.27 -0.02 -0.32 0.00 0.14 0.00 0.00 62.40 62.48 1l8y h SER 80 CO -0.12 0.05 -0.24 -0.54 -1.14 0.00 0.00 176.83 174.84 1l8y s LYS 81 N -5.13 2.84 -1.32 3.45 1.02 -0.66 -4.97 119.74 114.98 1l8y s LYS 81 Ca -0.05 -2.41 -0.07 0.00 0.02 0.00 0.00 55.97 53.46 1l8y s LYS 81 Cb 0.17 -3.95 0.03 0.00 -0.52 0.00 0.00 37.83 33.56 1l8y s LYS 81 CO 0.68 -1.21 2.67 1.63 -0.92 0.00 0.00 175.35 178.21 1l8y n LYS 82 N 3.82 4.04 -2.59 1.68 5.02 -1.25 -4.72 118.16 124.16 1l8y n LYS 82 Ca 0.07 -2.85 -0.03 0.00 -2.02 0.00 0.00 58.31 53.48 1l8y n LYS 82 Cb 0.41 -2.63 -0.03 0.00 -0.02 0.00 0.00 35.03 32.76 1l8y n LYS 82 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1l8y n LEU 83 N 2.35 -6.71 0.00 -0.35 7.94 -1.26 -5.19 117.00 113.78 1l8y n LEU 83 Ca 0.67 1.88 0.00 0.00 -1.11 0.00 0.00 56.01 57.45 1l8y n LEU 83 Cb 0.29 -3.22 0.00 0.00 0.53 0.00 0.00 43.42 41.02 1l8y n LEU 83 CO 0.70 -3.57 0.00 1.21 -1.11 0.00 0.00 177.39 174.62