#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 0.12 1.61 4.81 -1.26 -4.89 118.16 118.54 1l8y n LYS 2 Ca 0.00 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.26 1l8y n LYS 2 Cb 0.00 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.56 1l8y n LYS 2 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1l8y n LEU 3 N -2.64 -1.54 0.00 3.14 4.77 -1.26 -5.05 117.00 114.42 1l8y n LEU 3 Ca 0.00 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 1l8y n LEU 3 Cb 0.00 1.61 0.00 0.00 -2.33 0.00 0.00 43.42 42.70 1l8y n LEU 3 CO 0.00 -0.28 0.03 -2.65 -1.33 0.00 0.00 177.39 173.16 1l8y n PRO 4 N -3.05 0.00 -1.03 3.23 -0.02 -1.26 -4.99 135.00 127.88 1l8y n PRO 4 Ca 0.00 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1l8y n PRO 4 Cb 0.00 -0.39 0.00 0.00 -0.02 0.00 0.00 33.50 33.09 1l8y n PRO 4 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1l8y n GLU 5 N -0.18 0.00 -3.23 -0.52 2.13 -1.26 -5.09 120.64 112.49 1l8y n GLU 5 Ca 0.00 0.00 0.04 0.00 0.66 0.00 0.00 57.16 57.86 1l8y n GLU 5 Cb 0.00 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.67 1l8y n GLU 5 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1l8y s SER 6 N -4.00 -0.04 0.00 4.31 0.15 -1.26 -4.11 113.70 108.75 1l8y s SER 6 Ca 0.00 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.71 1l8y s SER 6 Cb 0.00 1.05 0.00 0.00 -1.71 0.00 0.00 66.02 65.36 1l8y s SER 6 CO 0.00 -0.01 0.00 -2.65 1.20 0.00 0.00 173.24 171.78 1l8y n PRO 7 N 4.33 1.63 -1.39 5.44 -0.02 -1.26 -5.03 135.00 138.70 1l8y n PRO 7 Ca -0.08 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.35 1l8y n PRO 7 Cb 0.56 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 34.02 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 0.00 0.29 0.00 -0.52 4.76 -1.16 -4.98 118.16 116.55 1l8y n LYS 8 Ca 0.00 -1.17 0.00 0.00 -2.87 0.00 0.00 58.31 54.27 1l8y n LYS 8 Cb 0.00 0.40 0.00 0.00 -1.84 0.00 0.00 35.03 33.59 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 -0.27 0.00 0.00 1.97 5.12 1.25 -3.22 116.66 121.52 1l8y n ARG 9 Ca -0.23 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.69 1l8y n ARG 9 Cb 0.77 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.07 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 5.40 0.00 0.02 7.54 0.00 0.28 -2.67 120.51 131.07 1l8y n ALA 10 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.66 1l8y n ALA 10 Cb 0.00 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.09 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 0.02 0.00 3.07 -1.62 -2.19 114.58 113.85 1l8y h GLU 11 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1l8y h GLU 11 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1l8y h GLU 11 CO 0.00 0.00 -0.01 1.49 -1.40 0.00 0.00 179.01 179.09 1l8y h GLU 12 N 0.00 -0.02 -0.25 2.33 4.22 -0.22 -2.14 114.58 118.50 1l8y h GLU 12 Ca 0.27 0.00 0.06 0.00 0.08 0.00 0.00 59.36 59.77 1l8y h GLU 12 Cb 1.65 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.83 1l8y h GLU 12 CO -0.00 -0.01 -0.25 0.97 -2.18 0.00 0.00 179.01 177.53 1l8y h ILE 13 N -0.21 0.37 0.15 2.32 6.09 -0.89 -1.69 117.51 123.66 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 0.02 0.37 0.00 0.00 0.47 0.00 0.00 36.82 37.68 1l8y h ILE 13 CO 0.00 0.00 -0.07 -0.25 -3.07 0.00 0.00 178.15 174.76 1l8y h TRP 14 N -0.26 -0.19 0.07 2.19 7.01 -1.59 -2.02 115.95 121.16 1l8y h TRP 14 Ca 0.14 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.14 1l8y h TRP 14 Cb 0.47 0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.57 1l8y h TRP 14 CO -0.41 0.24 -0.24 0.37 -2.79 0.00 0.00 178.44 175.61 1l8y h GLN 15 N -0.89 -0.34 -1.29 2.65 4.15 -1.40 0.74 115.11 118.73 1l8y h GLN 15 Ca -0.02 0.02 0.38 0.00 0.77 0.00 0.00 58.65 59.80 1l8y h GLN 15 Cb 0.52 0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.23 1l8y h GLN 15 CO 0.03 -0.23 0.95 0.37 -1.93 0.00 0.00 178.83 178.03 1l8y h GLN 16 N -0.35 0.00 0.12 1.69 4.15 -1.38 1.98 115.11 121.31 1l8y h GLN 16 Ca -0.00 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.13 1l8y h GLN 16 Cb 0.35 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.06 1l8y h GLN 16 CO -0.12 0.00 -1.22 1.03 -1.93 0.00 0.00 178.83 176.58 1l8y h SER 17 N 0.00 0.68 0.00 -0.69 0.87 0.25 -3.41 113.55 111.25 1l8y h SER 17 Ca 0.61 -0.65 -0.26 0.00 -1.23 0.00 0.00 61.79 60.26 1l8y h SER 17 Cb 2.51 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 64.21 1l8y h SER 17 CO -0.01 1.48 -1.92 1.33 -0.53 0.00 0.00 176.83 177.19 1l8y n VAL 18 N -3.70 0.91 -0.24 2.23 0.24 0.22 -4.63 118.33 113.36 1l8y n VAL 18 Ca -0.11 -0.29 0.21 0.00 -2.04 0.00 0.00 64.34 62.11 1l8y n VAL 18 Cb 0.99 -1.40 0.36 0.00 -1.47 0.00 0.00 33.84 32.31 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 -3.37 -0.15 -0.22 1.34 3.06 0.63 0.22 119.36 120.88 1l8y n ILE 19 Ca -0.31 0.99 -0.09 0.00 -2.50 0.00 0.00 62.75 60.85 1l8y n ILE 19 Cb 0.76 -1.62 0.03 0.00 0.54 0.00 0.00 39.64 39.35 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 1.11 1.49 4.50 0.00 -1.78 1.22 103.07 109.61 1l8y h GLY 20 Ca 0.47 -0.75 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 1l8y h GLY 20 CO -0.27 0.70 -0.72 -1.80 0.00 0.00 0.00 176.54 174.45 1l8y h ASP 21 N 0.94 0.00 0.17 0.19 3.58 0.23 -1.82 116.42 119.70 1l8y h ASP 21 Ca 0.19 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.34 1l8y h ASP 21 Cb 0.45 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.51 1l8y h ASP 21 CO 0.02 0.24 -1.44 1.88 -2.88 0.00 0.00 179.24 177.06 1l8y h TYR 22 N 0.00 0.64 -0.02 0.28 0.05 -0.97 -2.76 116.97 114.18 1l8y h TYR 22 Ca -0.04 -0.46 -0.16 0.00 0.05 0.00 0.00 58.73 58.12 1l8y h TYR 22 Cb 1.22 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.92 1l8y h TYR 22 CO 0.00 1.56 -0.72 1.25 -1.05 0.00 0.00 178.16 179.20 1l8y h LEU 23 N -0.11 0.17 0.38 3.88 7.12 0.14 -3.31 115.31 123.57 1l8y h LEU 23 Ca -0.28 -0.12 -0.02 0.00 0.13 0.00 0.00 57.88 57.59 1l8y h LEU 23 Cb 1.91 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 42.00 1l8y h LEU 23 CO 0.15 0.83 -0.18 0.00 -0.13 0.00 0.00 178.44 179.11 1l8y h ALA 24 N 1.16 -0.51 -0.52 1.25 0.00 -1.43 -0.49 119.26 118.73 1l8y h ALA 24 Ca -0.02 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.83 1l8y h ALA 24 Cb 1.27 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 19.16 1l8y h ALA 24 CO 0.10 -0.63 -0.08 2.89 0.00 0.00 0.00 179.25 181.54 1l8y n ARG 25 N -5.19 -0.04 -0.05 0.00 1.85 -1.04 0.13 116.66 112.32 1l8y n ARG 25 Ca -0.10 0.80 -0.05 0.00 -1.00 0.00 0.00 57.85 57.50 1l8y n ARG 25 Cb 0.28 -1.22 -0.14 0.00 -1.05 0.00 0.00 32.46 30.33 1l8y n ARG 25 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1l8y n PHE 26 N -4.76 0.36 -1.85 2.89 -0.00 -1.24 -5.04 117.46 107.81 1l8y n PHE 26 Ca 0.10 0.12 -0.01 0.00 -0.00 0.00 0.00 57.45 57.67 1l8y n PHE 26 Cb 0.31 -0.97 0.00 0.00 -0.00 0.00 0.00 39.48 38.82 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 -2.75 -0.38 0.00 -4.13 0.00 0.35 -4.48 118.16 106.78 1l8y n LYS 27 Ca -0.21 0.78 0.00 0.00 0.00 0.00 0.00 58.31 58.87 1l8y n LYS 27 Cb 0.99 -2.48 0.00 0.00 0.00 0.00 0.00 35.03 33.54 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 -0.96 0.00 -1.71 3.14 5.15 -0.96 -4.95 115.26 114.98 1l8y n ASN 28 Ca 0.01 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.86 1l8y n ASN 28 Cb 0.38 0.00 0.13 0.00 -0.53 0.00 0.00 39.78 39.76 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 3.52 0.00 1.20 2.03 -1.26 -4.75 116.55 117.29 1l8y n ASP 29 Ca 0.00 -2.94 0.00 0.00 0.52 0.00 0.00 54.79 52.37 1l8y n ASP 29 Cb 0.00 -0.70 0.00 0.00 -0.72 0.00 0.00 41.12 39.70 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 -0.41 0.00 -0.15 -0.67 0.00 -1.26 -2.52 116.66 111.65 1l8y n ARG 30 Ca 0.35 0.00 0.13 0.00 -0.00 0.00 0.00 57.85 58.33 1l8y n ARG 30 Cb 1.18 0.00 0.24 0.00 0.00 0.00 0.00 32.46 33.88 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 -1.76 -0.19 0.40 5.15 0.31 -1.26 0.24 118.33 121.22 1l8y n VAL 31 Ca 0.00 0.94 -0.16 0.00 -0.01 0.00 0.00 64.34 65.10 1l8y n VAL 31 Cb 0.00 -1.49 -0.08 0.00 -0.91 0.00 0.00 33.84 31.36 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 -1.01 -0.82 5.55 1.79 -1.75 0.04 116.57 120.37 1l8y h LYS 32 Ca 0.36 0.07 0.19 0.00 -2.18 0.00 0.00 60.65 59.09 1l8y h LYS 32 Cb 0.92 0.23 -0.12 0.00 -1.58 0.00 0.00 32.23 31.69 1l8y h LYS 32 CO -0.37 -0.68 0.28 0.00 -1.08 0.00 0.00 179.45 177.60 1l8y h ALA 33 N -1.44 1.18 0.12 3.86 0.00 0.30 0.98 119.26 124.27 1l8y h ALA 33 Ca -0.10 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1l8y h ALA 33 Cb 0.82 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1l8y h ALA 33 CO 0.15 -0.34 -0.06 1.25 0.00 0.00 0.00 179.25 180.25 1l8y h LEU 34 N 0.33 -0.14 0.20 0.00 7.12 -1.06 -2.58 115.31 119.18 1l8y h LEU 34 Ca 0.49 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.49 1l8y h LEU 34 Cb 0.88 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 41.05 1l8y h LEU 34 CO -0.53 -0.09 -0.10 0.07 -0.13 0.00 0.00 178.44 177.67 1l8y h LYS 35 N -0.18 -0.26 -0.25 1.25 5.09 -0.81 -2.05 116.57 119.36 1l8y h LYS 35 Ca -0.02 0.02 0.03 0.00 0.09 0.00 0.00 60.65 60.77 1l8y h LYS 35 Cb 0.12 0.06 -0.06 0.00 0.10 0.00 0.00 32.23 32.46 1l8y h LYS 35 CO 0.03 0.03 -0.39 0.00 -2.09 0.00 0.00 179.45 177.02 1l8y h ALA 36 N 0.17 -0.67 -0.67 0.07 0.00 0.86 1.12 119.26 120.14 1l8y h ALA 36 Ca -0.03 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.07 1l8y h ALA 36 Cb 0.41 0.98 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 1l8y h ALA 36 CO 0.05 -0.85 0.58 1.98 0.00 0.00 0.00 179.25 181.01 1l8y h MET 37 N -0.31 0.00 0.06 0.00 4.05 -1.51 0.97 114.93 118.19 1l8y h MET 37 Ca 0.04 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.46 1l8y h MET 37 Cb 0.44 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.24 1l8y h MET 37 CO -0.40 0.00 -0.03 1.49 0.23 0.00 0.00 176.91 178.21 1l8y h GLU 38 N 0.00 -0.07 -0.03 0.39 4.57 0.19 -2.89 114.58 116.74 1l8y h GLU 38 Ca 0.32 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.54 1l8y h GLU 38 Cb 1.47 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 30.03 1l8y h GLU 38 CO -0.00 -0.05 -0.25 0.52 -1.18 0.00 0.00 179.01 178.05 1l8y h MET 39 N -0.13 -0.36 -0.96 1.92 2.86 -0.29 -1.87 114.93 116.09 1l8y h MET 39 Ca -0.01 0.02 0.31 0.00 -2.06 0.00 0.00 59.70 57.97 1l8y h MET 39 Cb 0.06 0.08 -0.16 0.00 0.06 0.00 0.00 31.60 31.64 1l8y h MET 39 CO 0.01 -0.24 0.39 1.15 1.06 0.00 0.00 176.91 179.28 1l8y h THR 40 N -0.37 0.20 -0.07 2.22 2.02 -0.96 1.71 112.91 117.65 1l8y h THR 40 Ca 0.07 -0.06 -0.23 0.00 0.77 0.00 0.00 66.41 66.96 1l8y h THR 40 Cb 0.47 0.01 0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1l8y h THR 40 CO -0.24 0.03 -0.88 -0.25 0.37 0.00 0.00 175.52 174.54 1l8y h TRP 41 N 0.18 0.95 0.16 3.16 2.91 -1.15 -3.23 115.95 118.93 1l8y h TRP 41 Ca 0.69 -0.46 -0.29 0.00 1.13 0.00 0.00 58.89 59.95 1l8y h TRP 41 Cb 1.57 -0.13 0.01 0.00 -0.51 0.00 0.00 29.16 30.10 1l8y h TRP 41 CO -0.16 1.29 -1.33 -0.91 -1.03 0.00 0.00 178.44 176.30 1l8y h ASN 42 N 0.42 0.53 0.26 2.65 2.35 0.07 -3.18 115.58 118.67 1l8y h ASN 42 Ca -0.08 -0.58 0.00 0.00 -0.55 0.00 0.00 56.30 55.09 1l8y h ASN 42 Cb 1.52 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.72 1l8y h ASN 42 CO 0.17 1.45 0.00 0.59 -1.65 0.00 0.00 177.43 178.00 1l8y n ASN 43 N -3.57 0.32 -0.38 5.81 3.02 0.55 -1.16 115.26 119.86 1l8y n ASN 43 Ca -0.11 0.62 0.09 0.00 -0.03 0.00 0.00 54.58 55.14 1l8y n ASN 43 Cb 1.05 -0.67 -0.01 0.00 -0.61 0.00 0.00 39.78 39.54 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 -1.90 1.57 0.00 3.52 1.56 -1.21 -5.05 117.12 115.62 1l8y n MET 44 Ca 0.01 -0.81 0.00 0.00 -0.27 0.00 0.00 57.70 56.63 1l8y n MET 44 Cb 0.09 -1.32 0.00 0.00 2.15 0.00 0.00 33.22 34.14 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 -0.16 0.00 -0.56 2.12 4.07 -0.31 -3.19 120.64 122.61 1l8y n GLU 45 Ca 0.07 0.00 0.46 0.00 -0.06 0.00 0.00 57.16 57.63 1l8y n GLU 45 Cb 0.36 0.00 0.79 0.00 -0.06 0.00 0.00 31.44 32.54 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 0.13 5.31 3.64 -1.89 -2.12 116.57 121.64 1l8y h LYS 46 Ca 0.00 0.00 0.00 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 0.00 -0.32 -0.22 -2.27 0.00 0.00 179.45 176.64 1l8y h LYS 47 N 0.00 -0.47 0.14 1.90 3.64 -1.91 -2.77 116.57 117.10 1l8y h LYS 47 Ca 0.79 0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 60.20 1l8y h LYS 47 Cb 3.20 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 35.13 1l8y h LYS 47 CO -0.01 -0.32 -0.07 0.93 -2.27 0.00 0.00 179.45 177.72 1l8y h GLU 48 N -0.49 -0.18 0.00 1.90 5.08 -1.53 -3.27 114.58 116.09 1l8y h GLU 48 Ca -0.01 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1l8y h GLU 48 Cb 0.47 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1l8y h GLU 48 CO -0.14 -0.12 0.00 1.63 -1.00 0.00 0.00 179.01 179.38 1l8y n LYS 49 N -3.21 0.00 -0.31 2.33 5.02 -1.02 -0.10 118.16 120.86 1l8y n LYS 49 Ca -0.02 0.51 0.17 0.00 -2.02 0.00 0.00 58.31 56.95 1l8y n LYS 49 Cb 0.07 -0.91 0.36 0.00 -0.02 0.00 0.00 35.03 34.53 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 0.23 -0.67 -0.35 -0.00 -1.71 0.65 115.31 113.45 1l8y h LEU 50 Ca 0.00 0.19 -0.10 0.00 -0.00 0.00 0.00 57.88 57.97 1l8y h LEU 50 Cb 0.00 0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 40.85 1l8y h LEU 50 CO 0.00 -0.13 -0.46 0.24 -0.00 0.00 0.00 178.44 178.09 1l8y h MET 51 N 0.27 0.00 -0.57 1.13 2.86 -1.29 -3.04 114.93 114.30 1l8y h MET 51 Ca 0.62 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 58.20 1l8y h MET 51 Cb 1.32 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.95 1l8y h MET 51 CO -0.63 0.46 0.11 -1.49 1.06 0.00 0.00 176.91 176.43 1l8y h TRP 52 N 0.00 0.93 0.46 -0.22 4.06 0.19 -2.03 115.95 119.34 1l8y h TRP 52 Ca -0.00 -0.10 -0.02 0.00 2.06 0.00 0.00 58.89 60.82 1l8y h TRP 52 Cb 1.07 -0.27 0.00 0.00 -1.00 0.00 0.00 29.16 28.97 1l8y h TRP 52 CO 0.00 0.79 -0.23 0.82 -3.56 0.00 0.00 178.44 176.26 1l8y h ILE 53 N 0.85 0.00 -0.76 1.49 2.04 -1.40 -3.01 117.51 116.72 1l8y h ILE 53 Ca 0.18 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.26 1l8y h ILE 53 Cb 0.35 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 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 -0.62 0.00 0.26 2.37 1.63 -1.47 1.96 116.57 120.70 1l8y h LYS 54 Ca -0.06 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.72 1l8y h LYS 54 Cb 0.48 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 1l8y h LYS 54 CO 0.10 0.00 -0.13 -0.22 -3.45 0.00 0.00 179.45 175.75 1l8y h LYS 55 N 0.00 -0.34 0.00 1.90 1.63 -1.23 1.45 116.57 119.98 1l8y h LYS 55 Ca 0.36 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.19 1l8y h LYS 55 Cb 1.59 0.08 0.00 0.00 -0.60 0.00 0.00 32.23 33.30 1l8y h LYS 55 CO -0.00 -0.13 -0.52 0.00 -3.45 0.00 0.00 179.45 175.34 1l8y h ALA 56 N 0.22 0.71 -0.04 5.00 0.00 -1.19 -2.38 119.26 121.59 1l8y h ALA 56 Ca -0.04 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 1l8y h ALA 56 Cb 0.36 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1l8y h ALA 56 CO 0.06 0.00 -0.83 0.00 0.00 0.00 0.00 179.25 178.48 1l8y h ALA 57 N 2.18 0.48 -0.01 0.00 0.00 0.33 1.93 119.26 124.16 1l8y h ALA 57 Ca 0.00 -0.66 -0.13 0.00 0.00 0.00 0.00 54.91 54.13 1l8y h ALA 57 Cb 0.91 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1l8y h ALA 57 CO 0.00 0.79 -0.58 1.49 0.00 0.00 0.00 179.25 180.95 1l8y h GLU 58 N 0.26 0.04 0.00 0.00 4.57 0.20 -2.27 114.58 117.38 1l8y h GLU 58 Ca -0.05 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1l8y h GLU 58 Cb 1.44 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 30.03 1l8y h GLU 58 CO 0.14 0.61 -0.31 -0.44 -1.18 0.00 0.00 179.01 177.84 1l8y h ASP 59 N 0.03 0.00 0.34 1.04 3.32 -0.85 -3.22 116.42 117.09 1l8y h ASP 59 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1l8y h ASP 59 Cb 1.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.58 1l8y h ASP 59 CO 0.08 0.04 0.00 1.67 -1.72 0.00 0.00 179.24 179.31 1l8y n GLN 60 N -3.00 0.46 0.04 3.56 0.00 0.65 -3.02 117.38 116.07 1l8y n GLN 60 Ca 0.03 0.04 -0.20 0.00 -0.00 0.00 0.00 57.00 56.87 1l8y n GLN 60 Cb 0.55 -1.50 -0.10 0.00 0.00 0.00 0.00 30.24 29.19 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 0.71 0.39 3.69 3.64 -1.56 -2.59 116.57 120.85 1l8y h LYS 61 Ca 0.00 -0.74 -0.02 0.00 -1.27 0.00 0.00 60.65 58.62 1l8y h LYS 61 Cb 0.17 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1l8y h LYS 61 CO 0.00 1.32 -0.19 -0.09 -2.27 0.00 0.00 179.45 178.22 1l8y h ARG 62 N 0.41 -0.50 0.09 1.90 9.65 -1.76 -2.71 114.38 121.45 1l8y h ARG 62 Ca -0.12 0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 1l8y h ARG 62 Cb 1.67 0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 30.34 1l8y h ARG 62 CO 0.20 -0.33 -0.28 1.88 2.80 0.00 0.00 179.97 184.24 1l8y h TYR 63 N -0.70 -0.81 -0.95 2.20 0.05 -1.71 0.88 116.97 115.92 1l8y h TYR 63 Ca -0.05 0.02 0.15 0.00 0.05 0.00 0.00 58.73 58.89 1l8y h TYR 63 Cb 0.40 0.34 -0.15 0.00 1.01 0.00 0.00 36.73 38.33 1l8y h TYR 63 CO 0.07 -0.32 -0.38 -1.91 -1.05 0.00 0.00 178.16 174.57 1l8y n GLU 64 N -4.04 -0.23 -0.12 4.88 2.13 -0.97 0.11 120.64 122.40 1l8y n GLU 64 Ca -0.05 1.47 -0.09 0.00 0.66 0.00 0.00 57.16 59.15 1l8y n GLU 64 Cb 0.22 -2.18 0.05 0.00 0.27 0.00 0.00 31.44 29.80 1l8y n GLU 64 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1l8y h ARG 65 N 0.00 0.88 -0.97 5.31 -0.00 -1.19 0.65 114.38 119.07 1l8y h ARG 65 Ca 0.33 -0.36 0.20 0.00 -0.50 0.00 0.00 59.98 59.65 1l8y h ARG 65 Cb 0.57 -0.04 -0.11 0.00 0.00 0.00 0.00 29.97 30.39 1l8y h ARG 65 CO -0.95 1.01 0.56 0.93 0.00 0.00 0.00 179.97 181.52 1l8y h GLU 66 N 0.77 0.63 0.00 0.04 5.08 0.82 0.26 114.58 122.18 1l8y h GLU 66 Ca 0.11 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.25 1l8y h GLU 66 Cb 0.75 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 1l8y h GLU 66 CO 0.06 0.42 -1.60 1.47 -1.00 0.00 0.00 179.01 178.36 1l8y n LEU 67 N -4.85 1.95 0.19 1.33 -0.00 -0.33 -4.40 117.00 110.88 1l8y n LEU 67 Ca 0.23 0.33 0.17 0.00 -0.00 0.00 0.00 56.01 56.75 1l8y n LEU 67 Cb 0.61 -0.77 0.68 0.00 -0.00 0.00 0.00 43.42 43.94 1l8y n LEU 67 CO 0.19 0.06 1.15 -1.28 -0.00 0.00 0.00 177.39 177.50 1l8y h SER 68 N -1.00 0.00 -1.04 1.45 0.87 0.29 -0.49 113.55 113.63 1l8y h SER 68 Ca -0.27 0.00 0.30 0.00 -1.23 0.00 0.00 61.79 60.59 1l8y h SER 68 Cb 1.24 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.16 1l8y h SER 68 CO -0.17 0.00 0.84 1.05 -0.53 0.00 0.00 176.83 178.03 1l8y h GLU 69 N 0.00 0.00 0.00 2.24 4.11 -0.61 0.99 114.58 121.31 1l8y h GLU 69 Ca 0.12 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.51 1l8y h GLU 69 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1l8y h GLU 69 CO -0.00 0.00 -1.05 0.52 0.07 0.00 0.00 179.01 178.55 1l8y h MET 70 N 0.00 0.00 -0.85 1.06 2.86 -1.34 -3.34 114.93 113.32 1l8y h MET 70 Ca 0.49 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.99 1l8y h MET 70 Cb 2.18 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 33.75 1l8y h MET 70 CO -0.01 0.08 0.18 -2.13 1.06 0.00 0.00 176.91 176.09 1l8y n ARG 71 N -2.75 2.74 -3.42 1.72 3.00 0.34 -4.94 116.66 113.35 1l8y n ARG 71 Ca -0.02 -1.96 -0.16 0.00 -0.00 0.00 0.00 57.85 55.71 1l8y n ARG 71 Cb 0.62 -1.88 0.01 0.00 0.00 0.00 0.00 32.46 31.20 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 -0.01 -2.66 -0.09 5.13 0.00 -1.11 -4.64 120.51 117.13 1l8y n ALA 72 Ca 0.26 0.02 -0.07 0.00 0.00 0.00 0.00 53.44 53.66 1l8y n ALA 72 Cb 1.03 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 0.44 0.16 -0.91 0.00 0.11 -1.82 -0.90 132.00 129.08 1l8y h PRO 73 Ca -0.35 -0.01 -0.28 0.00 0.11 0.00 0.00 66.00 65.47 1l8y h PRO 73 Cb 1.23 -0.04 -0.17 0.00 0.11 0.00 0.00 31.00 32.14 1l8y h PRO 73 CO 0.31 0.11 0.35 -0.35 -0.21 0.00 0.00 178.00 178.22 1l8y n PRO 74 N -5.09 2.54 -0.71 1.05 -0.04 -1.26 -3.97 135.00 127.51 1l8y n PRO 74 Ca 0.00 -2.31 -0.00 0.00 -0.04 0.00 0.00 63.50 61.15 1l8y n PRO 74 Cb 0.14 -1.95 -0.00 0.00 -0.04 0.00 0.00 33.50 31.65 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 -0.39 2.25 -1.19 0.55 0.00 -0.51 -4.76 120.51 116.45 1l8y n ALA 75 Ca 0.38 -0.88 -0.42 0.00 0.00 0.00 0.00 53.44 52.52 1l8y n ALA 75 Cb 1.27 -0.37 -0.06 0.00 0.00 0.00 0.00 19.45 20.29 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 0.08 2.98 -2.95 0.00 0.00 -0.46 -3.98 120.51 116.18 1l8y n ALA 76 Ca -0.02 -3.24 -0.12 0.00 0.00 0.00 0.00 53.44 50.05 1l8y n ALA 76 Cb 0.71 -3.63 0.06 0.00 0.00 0.00 0.00 19.45 16.59 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 6.26 -7.35 -1.33 0.00 -1.04 -1.26 -2.62 114.28 106.94 1l8y n THR 77 Ca 0.49 -1.02 -0.11 0.00 -2.04 0.00 0.00 64.05 61.37 1l8y n THR 77 Cb 0.41 -5.72 -0.05 0.00 -1.82 0.00 0.00 70.33 63.15 1l8y n THR 77 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1l8y n ASN 78 N -2.88 -4.76 -3.92 8.00 2.85 -1.26 -0.22 115.26 113.07 1l8y n ASN 78 Ca -0.08 0.28 -0.28 0.00 -0.11 0.00 0.00 54.58 54.39 1l8y n ASN 78 Cb 0.60 -3.24 0.01 0.00 1.24 0.00 0.00 39.78 38.38 1l8y n ASN 78 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1l8y n SER 79 N -0.35 -2.47 0.00 1.20 3.41 -1.08 -4.47 113.62 109.87 1l8y n SER 79 Ca -0.11 -0.89 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 1l8y n SER 79 Cb 0.44 -3.53 0.00 0.00 -0.26 0.00 0.00 64.21 60.85 1l8y n SER 79 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1l8y n SER 80 N -2.90 0.00 -0.50 4.04 3.41 -1.16 -5.02 113.62 111.50 1l8y n SER 80 Ca -0.13 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.54 1l8y n SER 80 Cb 0.60 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.53 1l8y n SER 80 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1l8y n LYS 81 N 0.00 -1.06 -1.70 4.33 5.02 0.69 -4.31 118.16 121.13 1l8y n LYS 81 Ca 0.00 0.77 -0.39 0.00 -2.02 0.00 0.00 58.31 56.66 1l8y n LYS 81 Cb 0.00 -1.27 -0.02 0.00 -0.02 0.00 0.00 35.03 33.72 1l8y n LYS 81 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1l8y n LYS 82 N -2.82 4.21 -3.69 1.97 4.76 -1.26 -4.83 118.16 116.50 1l8y n LYS 82 Ca -0.01 -2.91 -0.16 0.00 -2.87 0.00 0.00 58.31 52.36 1l8y n LYS 82 Cb 0.23 -2.70 -0.15 0.00 -1.84 0.00 0.00 35.03 30.57 1l8y n LYS 82 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1l8y s LEU 83 N -1.14 0.12 0.00 -0.35 1.98 -1.26 -5.30 118.68 112.73 1l8y s LEU 83 Ca 0.61 0.35 0.00 0.00 -2.89 0.00 0.00 54.13 52.20 1l8y s LEU 83 Cb 0.18 0.35 0.00 0.00 0.66 0.00 0.00 46.19 47.38 1l8y s LEU 83 CO -0.08 -0.22 0.36 -0.62 -1.89 0.00 0.00 176.35 173.90