#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 -4.79 0.00 1.61 3.00 -1.26 -5.05 118.16 111.67 1l8y n LYS 2 Ca 0.00 3.49 0.00 0.00 -0.00 0.00 0.00 58.31 61.80 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 -0.00 0.00 0.00 3.14 4.77 -1.26 -5.06 117.00 118.59 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 0.29 -0.81 -1.33 0.00 0.00 177.39 175.54 1l8y n PRO 4 N 0.00 0.00 0.00 3.23 -0.04 -1.26 -4.91 135.00 132.01 1l8y n PRO 4 Ca 0.00 0.50 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 1l8y n PRO 4 Cb 0.00 -1.08 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.24 0.00 -1.42 0.54 2.13 -1.26 -5.10 120.64 114.29 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 0.45 -0.41 0.00 0.00 177.13 177.17 1l8y n SER 6 N -0.91 -1.89 -3.42 4.31 2.88 -1.26 -5.06 113.62 108.28 1l8y n SER 6 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 1l8y n SER 6 Cb 0.00 -0.61 0.09 0.00 -0.75 0.00 0.00 64.21 62.94 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 -1.28 -0.36 -1.72 -1.46 -0.02 -1.26 -4.99 135.00 123.91 1l8y n PRO 7 Ca 0.00 -0.42 0.01 0.00 -2.02 0.00 0.00 63.50 61.07 1l8y n PRO 7 Cb 0.47 -1.02 0.02 0.00 -0.02 0.00 0.00 33.50 32.95 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 -0.46 0.38 0.00 -0.52 5.02 -1.21 -4.96 118.16 116.42 1l8y n LYS 8 Ca 0.04 -2.06 0.00 0.00 -2.02 0.00 0.00 58.31 54.27 1l8y n LYS 8 Cb 0.17 -0.19 0.00 0.00 -0.02 0.00 0.00 35.03 35.00 1l8y n LYS 8 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1l8y n ARG 9 N 0.11 0.00 0.00 1.97 5.12 0.63 -3.29 116.66 121.20 1l8y n ARG 9 Ca -0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 1l8y n ARG 9 Cb 1.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.30 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 5.23 0.00 0.10 7.54 0.00 0.25 -2.63 120.51 130.99 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 0.62 0.00 0.00 0.00 0.00 19.45 20.07 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 -1.60 -2.34 114.58 115.72 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 -1.91 -1.00 0.00 0.00 179.01 176.10 1l8y n GLU 12 N -3.31 0.00 -0.10 2.33 4.07 0.35 -2.12 120.64 121.87 1l8y n GLU 12 Ca 0.08 0.48 -0.07 0.00 -0.06 0.00 0.00 57.16 57.59 1l8y n GLU 12 Cb 0.81 -1.03 -0.01 0.00 -0.06 0.00 0.00 31.44 31.15 1l8y n GLU 12 CO 0.00 0.00 0.00 0.97 -0.06 0.00 0.00 177.13 178.04 1l8y h ILE 13 N 0.00 0.31 0.06 6.31 6.09 -0.71 -2.67 117.51 126.89 1l8y h ILE 13 Ca 0.00 0.00 -0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1l8y h ILE 13 Cb 0.00 0.31 0.00 0.00 0.47 0.00 0.00 36.82 37.60 1l8y h ILE 13 CO 0.00 0.00 -0.03 -0.25 -3.07 0.00 0.00 178.15 174.80 1l8y h TRP 14 N -0.23 -0.08 -0.00 2.19 7.01 -1.62 -2.33 115.95 120.88 1l8y h TRP 14 Ca 0.17 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.17 1l8y h TRP 14 Cb 0.50 0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.58 1l8y h TRP 14 CO -0.48 0.44 -0.08 0.37 -2.79 0.00 0.00 178.44 175.90 1l8y h GLN 15 N -0.66 -0.10 -0.98 2.65 4.15 -1.37 0.52 115.11 119.32 1l8y h GLN 15 Ca -0.01 0.01 0.28 0.00 0.77 0.00 0.00 58.65 59.70 1l8y h GLN 15 Cb 0.56 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.23 1l8y h GLN 15 CO 0.01 -0.07 0.70 1.96 -1.93 0.00 0.00 178.83 179.51 1l8y h GLN 16 N -0.10 0.03 -0.24 1.69 1.08 -1.63 1.12 115.11 117.05 1l8y h GLN 16 Ca 0.00 -0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.11 1l8y h GLN 16 Cb 0.11 -0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1l8y h GLN 16 CO -0.06 0.02 -0.20 0.77 -0.95 0.00 0.00 178.83 178.41 1l8y h SER 17 N 0.03 0.59 0.00 1.46 0.02 -0.30 -3.38 113.55 111.97 1l8y h SER 17 Ca 0.47 -0.46 -0.32 0.00 -0.84 0.00 0.00 61.79 60.64 1l8y h SER 17 Cb 1.83 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 64.16 1l8y h SER 17 CO -0.02 0.92 -2.05 1.33 -1.14 0.00 0.00 176.83 175.87 1l8y n VAL 18 N -4.41 1.18 -0.20 2.27 0.24 0.16 -4.62 118.33 112.94 1l8y n VAL 18 Ca -0.04 -0.25 0.20 0.00 -2.04 0.00 0.00 64.34 62.21 1l8y n VAL 18 Cb 0.41 -1.82 0.37 0.00 -1.47 0.00 0.00 33.84 31.32 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 -3.96 -0.25 -0.07 1.34 3.06 0.37 0.19 119.36 120.03 1l8y n ILE 19 Ca -0.39 1.23 -0.09 0.00 -2.50 0.00 0.00 62.75 61.00 1l8y n ILE 19 Cb 0.76 -2.00 -0.02 0.00 0.54 0.00 0.00 39.64 38.91 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 0.36 1.92 4.50 0.00 -1.73 1.16 103.07 109.28 1l8y h GLY 20 Ca 0.52 -0.13 -0.10 0.00 0.00 0.00 0.00 47.33 47.62 1l8y h GLY 20 CO -0.46 0.13 -0.54 -1.80 0.00 0.00 0.00 176.54 173.87 1l8y h ASP 21 N 0.34 0.00 0.51 0.19 3.58 0.17 -1.32 116.42 119.90 1l8y h ASP 21 Ca 0.10 0.00 -0.20 0.00 0.42 0.00 0.00 57.03 57.35 1l8y h ASP 21 Cb -0.03 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 1l8y h ASP 21 CO -0.03 0.47 -0.87 1.88 -2.88 0.00 0.00 179.24 177.82 1l8y h TYR 22 N 0.00 0.36 0.00 0.28 -1.99 0.37 -2.30 116.97 113.69 1l8y h TYR 22 Ca -0.02 -0.19 -0.24 0.00 2.00 0.00 0.00 58.73 60.28 1l8y h TYR 22 Cb 1.37 -0.04 -0.04 0.00 2.00 0.00 0.00 36.73 40.02 1l8y h TYR 22 CO 0.00 1.00 -1.26 -0.07 -0.00 0.00 0.00 178.16 177.82 1l8y h LEU 23 N 0.14 0.01 -0.38 3.88 3.38 0.14 -3.33 115.31 119.14 1l8y h LEU 23 Ca -0.05 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1l8y h LEU 23 Cb 1.49 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.22 1l8y h LEU 23 CO 0.14 1.01 0.12 0.00 0.09 0.00 0.00 178.44 179.80 1l8y h ALA 24 N 0.99 0.50 -0.71 1.53 0.00 -1.21 0.82 119.26 121.19 1l8y h ALA 24 Ca -0.11 -0.16 0.16 0.00 0.00 0.00 0.00 54.91 54.79 1l8y h ALA 24 Cb 1.86 -0.15 -0.13 0.00 0.00 0.00 0.00 17.79 19.38 1l8y h ALA 24 CO 0.11 0.14 -0.03 0.07 0.00 0.00 0.00 179.25 179.54 1l8y h ARG 25 N 0.47 0.08 0.00 0.00 0.11 -1.53 -2.73 114.38 110.79 1l8y h ARG 25 Ca 0.12 -0.00 -0.19 0.00 0.10 0.00 0.00 59.98 60.01 1l8y h ARG 25 Cb 0.25 -0.02 -0.04 0.00 1.11 0.00 0.00 29.97 31.27 1l8y h ARG 25 CO -0.00 0.05 -2.15 0.34 0.10 0.00 0.00 179.97 178.31 1l8y n PHE 26 N -5.36 0.00 -1.78 4.08 -0.00 -1.21 -5.05 117.46 108.15 1l8y n PHE 26 Ca 0.12 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.57 1l8y n PHE 26 Cb 0.43 -0.73 0.00 0.00 -0.00 0.00 0.00 39.48 39.18 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 -2.49 -0.25 -1.19 -4.13 0.00 0.28 -4.64 118.16 105.74 1l8y n LYS 27 Ca -0.19 0.65 0.00 0.00 0.00 0.00 0.00 58.31 58.77 1l8y n LYS 27 Cb 0.86 -2.27 0.00 0.00 0.00 0.00 0.00 35.03 33.62 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 -1.17 -1.00 -0.11 3.14 2.85 -0.94 -5.01 115.26 113.02 1l8y n ASN 28 Ca -0.00 0.00 0.04 0.00 -0.11 0.00 0.00 54.58 54.51 1l8y n ASN 28 Cb 0.50 -0.25 0.05 0.00 1.24 0.00 0.00 39.78 41.32 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 0.49 1.48 0.00 1.20 2.03 -1.26 -4.90 116.55 115.60 1l8y n ASP 29 Ca 0.00 -2.26 0.00 0.00 0.52 0.00 0.00 54.79 53.05 1l8y n ASP 29 Cb 0.25 -0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 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 -0.69 0.00 -0.43 -0.67 0.00 -1.26 -1.02 116.66 112.59 1l8y n ARG 30 Ca 0.06 0.00 0.36 0.00 -0.00 0.00 0.00 57.85 58.27 1l8y n ARG 30 Cb 0.51 0.00 0.61 0.00 0.00 0.00 0.00 32.46 33.58 1l8y n ARG 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 1l8y n VAL 31 N -2.37 -0.22 0.08 5.15 0.31 -1.26 0.35 118.33 120.38 1l8y n VAL 31 Ca 0.00 1.59 -0.19 0.00 -0.01 0.00 0.00 64.34 65.73 1l8y n VAL 31 Cb 0.00 -2.61 -0.15 0.00 -0.91 0.00 0.00 33.84 30.17 1l8y n VAL 31 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1l8y h LYS 32 N 0.00 0.33 -0.35 5.55 1.57 -1.45 -3.34 116.57 118.87 1l8y h LYS 32 Ca 0.79 -0.56 0.03 0.00 -1.87 0.00 0.00 60.65 59.04 1l8y h LYS 32 Cb 2.56 0.21 -0.03 0.00 0.08 0.00 0.00 32.23 35.05 1l8y h LYS 32 CO -0.40 1.22 0.16 0.00 -0.57 0.00 0.00 179.45 179.86 1l8y h ALA 33 N 0.37 0.42 -0.99 3.86 0.00 0.59 0.73 119.26 124.24 1l8y h ALA 33 Ca -0.26 0.02 0.19 0.00 0.00 0.00 0.00 54.91 54.87 1l8y h ALA 33 Cb 2.05 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 19.71 1l8y h ALA 33 CO 0.19 -0.22 0.59 1.25 0.00 0.00 0.00 179.25 181.06 1l8y h LEU 34 N 0.33 0.75 0.08 0.00 6.46 -0.44 0.92 115.31 123.41 1l8y h LEU 34 Ca 0.15 0.10 -0.14 0.00 -0.12 0.00 0.00 57.88 57.87 1l8y h LEU 34 Cb 0.09 -0.03 0.01 0.00 -0.73 0.00 0.00 40.66 40.00 1l8y h LEU 34 CO -0.12 0.25 -0.67 0.11 -0.62 0.00 0.00 178.44 177.39 1l8y h LYS 35 N 0.73 0.18 -0.18 1.25 1.79 -1.55 0.94 116.57 119.73 1l8y h LYS 35 Ca 0.58 -0.30 0.05 0.00 -2.18 0.00 0.00 60.65 58.80 1l8y h LYS 35 Cb 0.92 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.68 1l8y h LYS 35 CO -0.40 1.14 0.33 0.00 -1.08 0.00 0.00 179.45 179.45 1l8y h ALA 36 N -0.00 1.69 0.00 3.86 0.00 -0.36 0.62 119.26 125.07 1l8y h ALA 36 Ca -0.13 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.46 1l8y h ALA 36 Cb 1.43 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 19.19 1l8y h ALA 36 CO 0.07 -0.42 -2.02 -0.12 0.00 0.00 0.00 179.25 176.76 1l8y n MET 37 N -3.38 0.57 0.21 0.00 0.00 0.27 -3.86 117.12 110.94 1l8y n MET 37 Ca 0.02 0.24 -0.14 0.00 -0.00 0.00 0.00 57.70 57.82 1l8y n MET 37 Cb 0.44 -1.47 -0.08 0.00 0.00 0.00 0.00 33.22 32.11 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 -1.00 -0.52 0.81 2.12 4.81 0.13 -2.49 114.58 118.44 1l8y h GLU 38 Ca -0.46 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.76 1l8y h GLU 38 Cb 1.40 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.90 1l8y h GLU 38 CO -0.28 -0.23 -0.45 1.98 -0.73 0.00 0.00 179.01 179.29 1l8y h MET 39 N -0.78 -1.13 -1.50 1.92 4.05 0.10 -1.06 114.93 116.53 1l8y h MET 39 Ca -0.06 0.08 0.44 0.00 -0.28 0.00 0.00 59.70 59.88 1l8y h MET 39 Cb 0.53 0.26 -0.06 0.00 -0.80 0.00 0.00 31.60 31.53 1l8y h MET 39 CO 0.09 -0.75 1.08 1.15 0.23 0.00 0.00 176.91 178.71 1l8y h THR 40 N -1.17 0.25 0.19 -0.77 2.02 -1.60 1.54 112.91 113.37 1l8y h THR 40 Ca -0.11 -0.00 -0.27 0.00 0.77 0.00 0.00 66.41 66.80 1l8y h THR 40 Cb 0.92 0.25 0.02 0.00 -1.74 0.00 0.00 68.15 67.60 1l8y h THR 40 CO 0.14 0.00 -1.23 -0.25 0.37 0.00 0.00 175.52 174.55 1l8y h TRP 41 N 0.00 0.73 0.08 3.16 2.91 -0.95 -3.33 115.95 118.54 1l8y h TRP 41 Ca 0.71 -0.53 -0.25 0.00 1.13 0.00 0.00 58.89 59.95 1l8y h TRP 41 Cb 2.87 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 31.49 1l8y h TRP 41 CO -0.00 1.47 -1.11 -0.91 -1.03 0.00 0.00 178.44 176.86 1l8y h ASN 42 N -0.12 0.44 0.00 2.65 2.35 0.10 -3.10 115.58 117.90 1l8y h ASN 42 Ca -0.22 -0.42 0.00 0.00 -0.55 0.00 0.00 56.30 55.11 1l8y h ASN 42 Cb 1.90 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 40.13 1l8y h ASN 42 CO 0.19 1.28 0.11 0.78 -1.65 0.00 0.00 177.43 178.14 1l8y h ASN 43 N 0.13 0.00 0.00 5.81 2.35 0.18 -3.34 115.58 120.71 1l8y h ASN 43 Ca -0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 1l8y h ASN 43 Cb 1.80 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.17 1l8y h ASN 43 CO 0.18 0.00 0.00 0.80 -1.65 0.00 0.00 177.43 176.76 1l8y n MET 44 N -2.64 0.00 -3.98 0.81 1.56 -1.17 -5.06 117.12 106.64 1l8y n MET 44 Ca -0.02 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.41 1l8y n MET 44 Cb 0.16 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.53 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 0.00 -0.27 -0.17 2.12 4.07 -1.24 -4.92 120.64 120.23 1l8y n GLU 45 Ca 0.00 0.00 0.29 0.00 -0.06 0.00 0.00 57.16 57.39 1l8y n GLU 45 Cb 0.00 0.00 0.66 0.00 -0.06 0.00 0.00 31.44 32.04 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 0.00 -0.11 5.31 3.64 -1.96 0.18 116.57 123.63 1l8y h LYS 46 Ca 0.00 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1l8y h LYS 46 Cb 0.00 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1l8y h LYS 46 CO 0.00 0.00 -0.05 1.57 -2.27 0.00 0.00 179.45 178.70 1l8y h LYS 47 N 0.00 -0.03 0.00 1.90 -0.00 -1.95 -2.94 116.57 113.55 1l8y h LYS 47 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 61.09 1l8y h LYS 47 Cb 2.16 0.01 0.00 0.00 -0.00 0.00 0.00 32.23 34.40 1l8y h LYS 47 CO -0.00 -0.02 -0.39 0.39 -0.00 0.00 0.00 179.45 179.42 1l8y n GLU 48 N -5.18 0.33 0.00 0.07 4.71 0.45 -3.95 120.64 117.07 1l8y n GLU 48 Ca -0.04 0.44 0.00 0.00 -0.01 0.00 0.00 57.16 57.54 1l8y n GLU 48 Cb 0.11 -1.43 0.00 0.00 -1.01 0.00 0.00 31.44 29.11 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 -3.99 0.00 -0.31 3.49 5.02 -0.11 -0.56 118.16 121.70 1l8y n LYS 49 Ca -0.06 0.62 0.11 0.00 -2.02 0.00 0.00 58.31 56.97 1l8y n LYS 49 Cb 0.21 -1.06 0.28 0.00 -0.02 0.00 0.00 35.03 34.44 1l8y n LYS 49 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1l8y h LEU 50 N 0.00 0.44 -1.17 -0.35 -0.00 -1.70 -1.31 115.31 111.23 1l8y h LEU 50 Ca 0.00 0.13 -0.07 0.00 -0.00 0.00 0.00 57.88 57.94 1l8y h LEU 50 Cb 0.00 0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 40.72 1l8y h LEU 50 CO 0.00 0.10 -0.19 0.24 -0.00 0.00 0.00 178.44 178.59 1l8y h MET 51 N 0.51 0.34 -0.65 1.13 2.86 -1.30 -2.25 114.93 115.58 1l8y h MET 51 Ca 0.53 -0.10 -0.05 0.00 -2.06 0.00 0.00 59.70 58.01 1l8y h MET 51 Cb 0.92 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.51 1l8y h MET 51 CO -0.46 0.53 0.19 -1.49 1.06 0.00 0.00 176.91 176.73 1l8y h TRP 52 N 0.31 1.03 0.45 -0.22 4.06 0.36 -2.47 115.95 119.47 1l8y h TRP 52 Ca 0.05 -0.10 -0.02 0.00 2.06 0.00 0.00 58.89 60.89 1l8y h TRP 52 Cb 0.52 -0.30 -0.01 0.00 -1.00 0.00 0.00 29.16 28.38 1l8y h TRP 52 CO 0.01 0.83 -0.32 0.82 -3.56 0.00 0.00 178.44 176.22 1l8y h ILE 53 N 0.96 0.00 -0.79 1.49 2.04 -1.17 -2.68 117.51 117.36 1l8y h ILE 53 Ca 0.21 0.00 0.23 0.00 1.00 0.00 0.00 64.86 66.30 1l8y h ILE 53 Cb 0.30 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.35 1l8y h ILE 53 CO -0.01 0.00 0.66 0.50 0.00 0.00 0.00 178.15 179.31 1l8y h LYS 54 N -0.73 0.00 0.57 2.37 3.64 -1.32 2.63 116.57 123.73 1l8y h LYS 54 Ca -0.06 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1l8y h LYS 54 Cb 0.60 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.43 1l8y h LYS 54 CO 0.03 0.00 -0.27 -0.22 -2.27 0.00 0.00 179.45 176.72 1l8y h LYS 55 N 0.00 -0.74 0.00 1.90 3.64 -1.10 1.36 116.57 121.64 1l8y h LYS 55 Ca 0.37 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 1l8y h LYS 55 Cb 1.69 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.68 1l8y h LYS 55 CO -0.00 -0.43 -0.13 0.00 -2.27 0.00 0.00 179.45 176.61 1l8y h ALA 56 N -0.67 0.93 -0.05 5.00 0.00 -1.12 -2.57 119.26 120.78 1l8y h ALA 56 Ca -0.08 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.62 1l8y h ALA 56 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1l8y h ALA 56 CO 0.13 0.00 -0.83 0.00 0.00 0.00 0.00 179.25 178.55 1l8y h ALA 57 N 2.16 0.45 -0.01 0.00 0.00 0.47 4.40 119.26 126.73 1l8y h ALA 57 Ca 0.00 -0.65 -0.06 0.00 0.00 0.00 0.00 54.91 54.19 1l8y h ALA 57 Cb 0.92 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1l8y h ALA 57 CO 0.00 0.77 -0.30 1.49 0.00 0.00 0.00 179.25 181.21 1l8y h GLU 58 N 0.29 0.01 0.00 0.00 4.57 0.19 -0.95 114.58 118.69 1l8y h GLU 58 Ca -0.06 -0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 57.95 1l8y h GLU 58 Cb 1.44 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 30.00 1l8y h GLU 58 CO 0.15 0.32 -1.13 -0.44 -1.18 0.00 0.00 179.01 176.72 1l8y h ASP 59 N 0.01 0.00 0.00 1.04 3.32 -0.89 -3.30 116.42 116.60 1l8y h ASP 59 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1l8y h ASP 59 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1l8y h ASP 59 CO 0.04 0.65 0.00 1.67 -1.72 0.00 0.00 179.24 179.88 1l8y n GLN 60 N -3.06 0.62 0.02 3.56 7.27 1.44 -2.91 117.38 124.32 1l8y n GLN 60 Ca -0.06 0.00 -0.22 0.00 0.07 0.00 0.00 57.00 56.80 1l8y n GLN 60 Cb 0.84 -1.50 -0.14 0.00 2.41 0.00 0.00 30.24 31.86 1l8y n GLN 60 CO 0.00 0.00 0.00 -0.22 0.07 0.00 0.00 177.06 176.91 1l8y h LYS 61 N 0.00 0.27 -0.60 3.69 1.63 -1.58 -3.33 116.57 116.66 1l8y h LYS 61 Ca 0.00 -0.47 0.01 0.00 -0.85 0.00 0.00 60.65 59.34 1l8y h LYS 61 Cb 0.00 0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.77 1l8y h LYS 61 CO 0.00 1.22 0.39 -0.09 -3.45 0.00 0.00 179.45 177.52 1l8y h ARG 62 N -0.23 0.77 -0.19 1.90 2.43 -1.75 -2.95 114.38 114.36 1l8y h ARG 62 Ca -0.31 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 58.86 1l8y h ARG 62 Cb 1.82 -0.17 -0.05 0.00 -0.42 0.00 0.00 29.97 31.15 1l8y h ARG 62 CO 0.08 0.51 -0.10 0.10 -1.51 0.00 0.00 179.97 179.05 1l8y h TYR 63 N 0.80 -0.25 -1.04 2.20 -0.00 -1.72 -0.77 116.97 116.19 1l8y h TYR 63 Ca 0.22 0.02 0.28 0.00 0.00 0.00 0.00 58.73 59.25 1l8y h TYR 63 Cb -0.08 0.14 -0.07 0.00 0.00 0.00 0.00 36.73 36.72 1l8y h TYR 63 CO -0.04 -0.16 0.71 0.93 -0.00 0.00 0.00 178.16 179.60 1l8y h GLU 64 N -0.09 0.22 0.00 0.10 3.07 -1.63 2.14 114.58 118.40 1l8y h GLU 64 Ca 0.11 -0.01 -0.17 0.00 -0.50 0.00 0.00 59.36 58.79 1l8y h GLU 64 Cb 0.25 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 1l8y h GLU 64 CO -0.25 0.15 -0.81 -0.09 -1.40 0.00 0.00 179.01 176.61 1l8y h ARG 65 N 0.23 0.00 0.02 2.33 2.43 -1.25 -3.09 114.38 115.05 1l8y h ARG 65 Ca 0.55 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 59.45 1l8y h ARG 65 Cb 1.70 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 31.22 1l8y h ARG 65 CO -0.16 0.80 -1.46 0.93 -1.51 0.00 0.00 179.97 178.57 1l8y h GLU 66 N 0.00 0.05 0.00 0.20 3.07 0.29 0.67 114.58 118.86 1l8y h GLU 66 Ca -0.01 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 1l8y h GLU 66 Cb 1.62 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.56 1l8y h GLU 66 CO 0.10 0.79 0.00 -0.11 -1.40 0.00 0.00 179.01 178.39 1l8y n LEU 67 N -3.23 1.69 0.12 1.33 7.94 0.62 -3.17 117.00 122.30 1l8y n LEU 67 Ca -0.12 0.25 0.09 0.00 -1.11 0.00 0.00 56.01 55.12 1l8y n LEU 67 Cb 1.01 -0.14 0.02 0.00 0.53 0.00 0.00 43.42 44.85 1l8y n LEU 67 CO 0.46 -0.14 0.17 -1.28 -1.11 0.00 0.00 177.39 175.50 1l8y h SER 68 N 0.00 0.00 1.20 1.96 0.87 -1.78 -2.90 113.55 112.91 1l8y h SER 68 Ca 0.00 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 1l8y h SER 68 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1l8y h SER 68 CO 0.00 0.14 -0.83 -0.33 -0.53 0.00 0.00 176.83 175.29 1l8y h GLU 69 N 0.00 0.00 0.00 2.24 5.08 -1.45 -2.61 114.58 117.84 1l8y h GLU 69 Ca -0.03 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.12 1l8y h GLU 69 Cb 1.13 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.35 1l8y h GLU 69 CO 0.01 0.13 -1.19 1.98 -1.00 0.00 0.00 179.01 178.94 1l8y h MET 70 N 0.00 0.00 -0.75 2.33 4.05 -0.82 -3.15 114.93 116.59 1l8y h MET 70 Ca -0.04 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.33 1l8y h MET 70 Cb 1.18 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.94 1l8y h MET 70 CO 0.02 0.91 0.07 -2.13 0.23 0.00 0.00 176.91 176.01 1l8y n ARG 71 N -4.45 3.49 0.00 0.39 0.00 -1.09 -4.45 116.66 110.55 1l8y n ARG 71 Ca -0.30 -2.23 0.00 0.00 -0.00 0.00 0.00 57.85 55.32 1l8y n ARG 71 Cb 0.64 -2.02 0.00 0.00 0.00 0.00 0.00 32.46 31.08 1l8y n ARG 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1l8y n ALA 72 N 0.27 0.00 -0.01 5.13 0.00 -0.99 -4.97 120.51 119.95 1l8y n ALA 72 Ca 0.23 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.57 1l8y n ALA 72 Cb 0.99 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.40 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 0.00 0.02 -1.64 0.00 0.11 -1.50 -2.75 132.00 126.23 1l8y h PRO 73 Ca 0.00 -0.00 -0.59 0.00 0.11 0.00 0.00 66.00 65.52 1l8y h PRO 73 Cb 0.00 -0.00 -0.23 0.00 0.11 0.00 0.00 31.00 30.88 1l8y h PRO 73 CO 0.00 0.01 0.72 -0.35 -0.21 0.00 0.00 178.00 178.17 1l8y n PRO 74 N -5.13 2.46 -1.76 1.05 -0.04 -1.26 -4.62 135.00 125.69 1l8y n PRO 74 Ca -0.04 -2.77 -0.33 0.00 -0.04 0.00 0.00 63.50 60.32 1l8y n PRO 74 Cb 0.08 -2.11 0.05 0.00 -0.04 0.00 0.00 33.50 31.47 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 -0.10 5.95 -1.20 0.55 0.00 -1.04 -4.07 120.51 120.59 1l8y n ALA 75 Ca 0.50 -3.80 -0.26 0.00 0.00 0.00 0.00 53.44 49.88 1l8y n ALA 75 Cb 0.49 -1.36 0.04 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.73 5.83 -2.06 0.00 0.00 -1.26 -4.71 120.51 117.58 1l8y n ALA 76 Ca 0.54 -2.66 -0.02 0.00 0.00 0.00 0.00 53.44 51.31 1l8y n ALA 76 Cb 0.63 -1.67 -0.00 0.00 0.00 0.00 0.00 19.45 18.41 1l8y n ALA 76 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1l8y n THR 77 N -0.07 -0.08 -2.74 0.00 -1.04 -1.26 -4.95 114.28 104.13 1l8y n THR 77 Ca 0.46 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.44 1l8y n THR 77 Cb 0.57 -0.75 0.09 0.00 -1.82 0.00 0.00 70.33 68.42 1l8y n THR 77 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1l8y n ASN 78 N 1.66 0.02 0.00 8.00 4.13 -1.26 -4.87 115.26 122.94 1l8y n ASN 78 Ca -0.02 -2.19 0.00 0.00 1.68 0.00 0.00 54.58 54.05 1l8y n ASN 78 Cb 0.51 0.12 0.00 0.00 -1.54 0.00 0.00 39.78 38.88 1l8y n ASN 78 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 1l8y n SER 79 N -0.96 0.00 -2.72 6.41 2.88 -1.26 -4.90 113.62 113.07 1l8y n SER 79 Ca -0.04 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.43 1l8y n SER 79 Cb 0.84 0.09 0.07 0.00 -0.75 0.00 0.00 64.21 64.45 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 -2.25 -2.31 -4.69 -3.46 3.41 -1.26 -5.13 113.62 97.93 1l8y n SER 80 Ca 0.00 -2.86 -0.43 0.00 -0.26 0.00 0.00 58.87 55.32 1l8y n SER 80 Cb 0.00 1.51 -0.01 0.00 -0.26 0.00 0.00 64.21 65.44 1l8y n SER 80 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1l8y n LYS 81 N 1.40 2.10 -3.43 4.33 2.85 -1.26 -4.94 118.16 119.21 1l8y n LYS 81 Ca 0.06 0.74 -0.44 0.00 -1.05 0.00 0.00 58.31 57.62 1l8y n LYS 81 Cb 0.67 -2.35 -0.05 0.00 -0.65 0.00 0.00 35.03 32.65 1l8y n LYS 81 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1l8y s LYS 82 N -1.32 3.14 0.11 -1.58 3.01 -1.26 -5.00 119.74 116.85 1l8y s LYS 82 Ca 0.60 -2.26 -0.25 0.00 -1.01 0.00 0.00 55.97 53.05 1l8y s LYS 82 Cb -0.60 -4.20 0.08 0.00 -1.01 0.00 0.00 37.83 32.11 1l8y s LYS 82 CO 0.57 -1.26 1.11 -0.51 0.51 0.00 0.00 175.35 175.78 1l8y s LEU 83 N 0.51 -0.03 0.00 3.17 1.43 -1.26 -5.28 118.68 117.22 1l8y s LEU 83 Ca 0.14 -0.46 0.24 0.00 -1.03 0.00 0.00 54.13 53.02 1l8y s LEU 83 Cb -0.18 1.84 0.29 0.00 0.03 0.00 0.00 46.19 48.17 1l8y s LEU 83 CO -0.05 -0.74 1.32 1.21 0.23 0.00 0.00 176.35 178.32