#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 -5.28 0.05 1.61 0.00 -1.26 -5.04 118.16 108.24 1l8y n LYS 2 Ca 0.00 3.77 0.00 0.00 0.00 0.00 0.00 58.31 62.08 1l8y n LYS 2 Cb 0.00 -4.05 0.00 0.00 0.00 0.00 0.00 35.03 30.98 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 1.56 -0.92 0.00 3.14 4.77 -1.26 -5.03 117.00 119.26 1l8y n LEU 3 Ca 0.00 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1l8y n LEU 3 Cb 0.00 1.11 0.00 0.00 -2.33 0.00 0.00 43.42 42.20 1l8y n LEU 3 CO 0.00 -0.13 0.31 -2.65 -1.33 0.00 0.00 177.39 173.59 1l8y n PRO 4 N -2.51 0.00 0.00 3.23 -0.02 -1.26 -5.00 135.00 129.44 1l8y n PRO 4 Ca 0.00 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1l8y n PRO 4 Cb 0.00 -1.12 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 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 -1.32 0.00 0.00 -0.52 2.13 -1.26 -5.09 120.64 114.58 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 -1.13 -0.41 0.00 0.00 177.13 175.59 1l8y n SER 6 N 0.00 0.00 -1.78 4.31 3.41 -1.26 -4.36 113.62 113.95 1l8y n SER 6 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1l8y n SER 6 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1l8y n SER 6 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 1l8y n PRO 7 N -0.01 3.05 -1.46 4.33 -0.02 -1.26 -5.05 135.00 134.58 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 33.49 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 0.40 0.00 -0.52 4.76 -1.20 -4.97 118.16 116.62 1l8y n LYS 8 Ca 0.00 -0.76 0.00 0.00 -2.87 0.00 0.00 58.31 54.68 1l8y n LYS 8 Cb 0.00 0.42 0.00 0.00 -1.84 0.00 0.00 35.03 33.61 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 -0.45 0.00 0.00 1.97 5.12 0.52 -3.53 116.66 120.29 1l8y n ARG 9 Ca -0.17 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.75 1l8y n ARG 9 Cb 0.65 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.95 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 5.36 0.00 0.13 7.54 0.00 -0.05 -2.65 120.51 130.83 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 -1.65 -2.19 114.58 115.83 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 1.49 -1.00 0.00 0.00 179.01 179.50 1l8y h GLU 12 N 0.00 -0.00 -0.25 2.33 4.22 -0.23 -2.48 114.58 118.17 1l8y h GLU 12 Ca 0.17 0.00 0.06 0.00 0.08 0.00 0.00 59.36 59.67 1l8y h GLU 12 Cb 1.25 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.43 1l8y h GLU 12 CO -0.00 -0.00 -0.31 0.97 -2.18 0.00 0.00 179.01 177.49 1l8y h ILE 13 N -0.26 0.29 0.12 2.32 6.09 0.73 -2.69 117.51 124.11 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 0.00 0.29 0.00 0.00 0.47 0.00 0.00 36.82 37.58 1l8y h ILE 13 CO 0.00 0.00 -0.06 -0.25 -3.07 0.00 0.00 178.15 174.77 1l8y h TRP 14 N -0.31 -0.15 -0.01 2.19 7.01 -1.60 -2.34 115.95 120.73 1l8y h TRP 14 Ca 0.13 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.13 1l8y h TRP 14 Cb 0.52 0.05 -0.01 0.00 -2.10 0.00 0.00 29.16 27.62 1l8y h TRP 14 CO -0.45 0.31 -0.13 0.37 -2.79 0.00 0.00 178.44 175.76 1l8y h GLN 15 N -0.73 -0.15 -0.67 2.65 4.15 -1.43 0.52 115.11 119.45 1l8y h GLN 15 Ca -0.02 0.01 0.20 0.00 0.77 0.00 0.00 58.65 59.61 1l8y h GLN 15 Cb 0.53 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.23 1l8y h GLN 15 CO 0.03 -0.10 0.56 1.96 -1.93 0.00 0.00 178.83 179.34 1l8y h GLN 16 N -0.16 0.00 -0.10 1.69 1.08 -1.63 0.89 115.11 116.88 1l8y h GLN 16 Ca 0.00 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 56.97 1l8y h GLN 16 Cb 0.17 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.61 1l8y h GLN 16 CO -0.09 0.00 -0.86 1.03 -0.95 0.00 0.00 178.83 177.96 1l8y h SER 17 N 0.00 0.89 0.00 1.46 0.87 -0.31 -3.39 113.55 113.07 1l8y h SER 17 Ca 0.32 -0.62 -0.31 0.00 -1.23 0.00 0.00 61.79 59.95 1l8y h SER 17 Cb 1.43 -0.27 -0.05 0.00 -0.44 0.00 0.00 62.40 63.08 1l8y h SER 17 CO -0.00 1.42 -2.04 1.33 -0.53 0.00 0.00 176.83 177.01 1l8y n VAL 18 N -3.90 1.02 -0.36 2.23 0.24 0.16 -4.61 118.33 113.11 1l8y n VAL 18 Ca -0.08 -0.28 0.30 0.00 -2.04 0.00 0.00 64.34 62.24 1l8y n VAL 18 Cb 0.79 -1.66 0.50 0.00 -1.47 0.00 0.00 33.84 32.00 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 -3.72 -0.17 -0.25 1.34 3.06 0.29 0.19 119.36 120.10 1l8y n ILE 19 Ca -0.36 1.29 -0.02 0.00 -2.50 0.00 0.00 62.75 61.15 1l8y n ILE 19 Cb 0.77 -2.11 0.16 0.00 0.54 0.00 0.00 39.64 39.00 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 1.16 1.36 4.50 0.00 -1.76 0.95 103.07 109.29 1l8y h GLY 20 Ca 0.64 -0.53 -0.14 0.00 0.00 0.00 0.00 47.33 47.30 1l8y h GLY 20 CO -0.31 0.51 -1.07 -1.80 0.00 0.00 0.00 176.54 173.86 1l8y h ASP 21 N 1.09 0.00 0.51 0.19 1.82 0.18 -2.75 116.42 117.46 1l8y h ASP 21 Ca 0.27 0.00 -0.27 0.00 -0.39 0.00 0.00 57.03 56.65 1l8y h ASP 21 Cb 0.04 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.06 1l8y h ASP 21 CO -0.04 0.54 -1.19 1.88 -1.61 0.00 0.00 179.24 178.82 1l8y h TYR 22 N 0.00 0.59 0.00 0.28 0.05 -0.85 -2.68 116.97 114.36 1l8y h TYR 22 Ca -0.10 -0.40 -0.12 0.00 0.05 0.00 0.00 58.73 58.16 1l8y h TYR 22 Cb 1.50 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 39.19 1l8y h TYR 22 CO 0.00 1.28 -0.59 -0.07 -1.05 0.00 0.00 178.16 177.73 1l8y h LEU 23 N 0.13 0.00 0.01 3.88 3.38 0.83 -3.29 115.31 120.24 1l8y h LEU 23 Ca -0.13 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1l8y h LEU 23 Cb 1.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.64 1l8y h LEU 23 CO 0.20 0.59 -0.00 0.00 0.09 0.00 0.00 178.44 179.32 1l8y h ALA 24 N 1.41 -0.01 -0.99 1.53 0.00 -1.47 0.14 119.26 119.88 1l8y h ALA 24 Ca -0.01 -0.22 0.18 0.00 0.00 0.00 0.00 54.91 54.86 1l8y h ALA 24 Cb 1.22 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 18.83 1l8y h ALA 24 CO 0.08 -0.28 -0.29 2.89 0.00 0.00 0.00 179.25 181.65 1l8y n ARG 25 N -4.88 -0.13 -0.03 0.00 1.85 -1.01 -1.29 116.66 111.17 1l8y n ARG 25 Ca -0.08 1.54 -0.01 0.00 -1.00 0.00 0.00 57.85 58.29 1l8y n ARG 25 Cb 0.23 -2.29 -0.13 0.00 -1.05 0.00 0.00 32.46 29.22 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 -5.57 0.39 -1.59 2.89 -0.00 -1.25 -5.04 117.46 107.30 1l8y n PHE 26 Ca 0.14 0.13 -0.00 0.00 -0.00 0.00 0.00 57.45 57.72 1l8y n PHE 26 Cb 0.47 -0.91 0.00 0.00 -0.00 0.00 0.00 39.48 39.03 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 -2.68 -0.08 -0.74 -4.13 0.00 0.38 -4.67 118.16 106.24 1l8y n LYS 27 Ca -0.17 0.56 0.00 0.00 0.00 0.00 0.00 58.31 58.70 1l8y n LYS 27 Cb 0.89 -1.75 0.00 0.00 0.00 0.00 0.00 35.03 34.16 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 -1.04 -0.51 -0.31 3.14 2.85 -0.47 -5.00 115.26 113.91 1l8y n ASN 28 Ca 0.00 0.00 0.05 0.00 -0.11 0.00 0.00 54.58 54.52 1l8y n ASN 28 Cb 0.50 -0.16 0.11 0.00 1.24 0.00 0.00 39.78 41.46 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 0.55 2.59 0.00 1.20 2.03 -1.26 -4.85 116.55 116.82 1l8y n ASP 29 Ca 0.00 -2.38 0.00 0.00 0.52 0.00 0.00 54.79 52.93 1l8y n ASP 29 Cb 0.16 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.33 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 -0.43 0.00 -0.44 -0.67 0.00 -1.26 0.53 116.66 114.39 1l8y n ARG 30 Ca 0.09 0.00 0.37 0.00 -0.00 0.00 0.00 57.85 58.31 1l8y n ARG 30 Cb 0.47 0.00 0.65 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 h VAL 31 N 0.00 0.08 0.13 5.15 2.07 -1.96 2.32 116.25 124.04 1l8y h VAL 31 Ca 0.00 -0.02 -0.31 0.00 0.82 0.00 0.00 66.70 67.19 1l8y h VAL 31 Cb 0.00 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.78 1l8y h VAL 31 CO 0.00 0.01 -1.50 0.11 0.02 0.00 0.00 177.57 176.21 1l8y h LYS 32 N 0.06 0.29 -0.23 1.57 1.57 -0.30 -3.35 116.57 116.18 1l8y h LYS 32 Ca 0.84 -0.49 0.04 0.00 -1.87 0.00 0.00 60.65 59.18 1l8y h LYS 32 Cb 2.58 0.18 -0.04 0.00 0.08 0.00 0.00 32.23 35.03 1l8y h LYS 32 CO -0.48 1.17 -0.03 0.00 -0.57 0.00 0.00 179.45 179.54 1l8y h ALA 33 N 0.45 0.18 -0.68 3.86 0.00 0.35 -1.46 119.26 121.97 1l8y h ALA 33 Ca -0.23 0.08 0.14 0.00 0.00 0.00 0.00 54.91 54.90 1l8y h ALA 33 Cb 2.03 0.15 -0.11 0.00 0.00 0.00 0.00 17.79 19.86 1l8y h ALA 33 CO 0.18 -0.45 0.07 1.25 0.00 0.00 0.00 179.25 180.30 1l8y h LEU 34 N 0.03 -0.16 -0.03 0.00 5.85 -0.43 -0.57 115.31 119.99 1l8y h LEU 34 Ca 0.11 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 1l8y h LEU 34 Cb 0.16 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 1l8y h LEU 34 CO -0.22 -0.09 -0.02 0.11 -0.34 0.00 0.00 178.44 177.89 1l8y h LYS 35 N 0.18 0.06 -0.29 1.25 1.79 -1.59 1.02 116.57 118.99 1l8y h LYS 35 Ca 0.37 -0.03 0.09 0.00 -2.18 0.00 0.00 60.65 58.89 1l8y h LYS 35 Cb 0.61 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.25 1l8y h LYS 35 CO -0.53 0.49 0.42 0.00 -1.08 0.00 0.00 179.45 178.75 1l8y h ALA 36 N 0.57 1.90 0.02 3.86 0.00 -0.68 0.64 119.26 125.57 1l8y h ALA 36 Ca 0.01 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.57 1l8y h ALA 36 Cb 0.47 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1l8y h ALA 36 CO 0.00 -0.58 -1.84 -0.12 0.00 0.00 0.00 179.25 176.72 1l8y n MET 37 N -3.47 0.62 0.22 0.00 0.00 -0.28 -3.68 117.12 110.53 1l8y n MET 37 Ca 0.05 0.40 -0.13 0.00 -0.00 0.00 0.00 57.70 58.02 1l8y n MET 37 Cb 0.56 -1.66 -0.07 0.00 0.00 0.00 0.00 33.22 32.05 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 -0.71 -0.58 -0.61 2.12 4.57 0.23 -2.44 114.58 117.16 1l8y h GLU 38 Ca -0.48 0.04 0.09 0.00 -1.18 0.00 0.00 59.36 57.84 1l8y h GLU 38 Cb 1.57 0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 30.26 1l8y h GLU 38 CO -0.20 -0.27 0.41 0.52 -1.18 0.00 0.00 179.01 178.29 1l8y h MET 39 N -0.96 0.44 0.00 1.92 2.86 0.02 -0.12 114.93 119.08 1l8y h MET 39 Ca -0.06 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.49 1l8y h MET 39 Cb 0.57 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1l8y h MET 39 CO 0.10 0.29 -0.32 1.15 1.06 0.00 0.00 176.91 179.20 1l8y h THR 40 N 0.46 0.71 0.13 2.22 2.02 -1.62 -1.71 112.91 115.12 1l8y h THR 40 Ca 0.28 -1.42 -0.31 0.00 0.77 0.00 0.00 66.41 65.73 1l8y h THR 40 Cb 0.50 1.92 -0.00 0.00 -1.74 0.00 0.00 68.15 68.83 1l8y h THR 40 CO -0.08 0.31 -1.59 -0.25 0.37 0.00 0.00 175.52 174.28 1l8y h TRP 41 N 0.00 0.51 0.04 3.16 2.91 -0.56 -3.35 115.95 118.66 1l8y h TRP 41 Ca -0.00 -0.37 -0.19 0.00 1.13 0.00 0.00 58.89 59.46 1l8y h TRP 41 Cb 0.90 -0.02 0.02 0.00 -0.51 0.00 0.00 29.16 29.55 1l8y h TRP 41 CO 0.00 1.62 -0.77 -0.91 -1.03 0.00 0.00 178.44 177.35 1l8y h ASN 42 N -0.16 0.60 -0.02 2.65 2.35 -1.27 -3.16 115.58 116.58 1l8y h ASN 42 Ca -0.34 -0.80 0.01 0.00 -0.55 0.00 0.00 56.30 54.62 1l8y h ASN 42 Cb 1.88 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 40.06 1l8y h ASN 42 CO 0.08 1.34 0.09 -0.55 -1.65 0.00 0.00 177.43 176.74 1l8y h ASN 43 N -0.06 0.00 -0.12 5.81 -0.00 -1.51 0.13 115.58 119.82 1l8y h ASN 43 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.19 1l8y h ASN 43 Cb 1.49 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.81 1l8y h ASN 43 CO 0.15 0.00 0.00 0.80 -0.00 0.00 0.00 177.43 178.38 1l8y n MET 44 N -3.20 2.17 0.00 4.14 1.56 -1.21 -5.06 117.12 115.52 1l8y n MET 44 Ca -0.02 -1.72 0.00 0.00 -0.27 0.00 0.00 57.70 55.69 1l8y n MET 44 Cb 0.16 -1.47 0.00 0.00 2.15 0.00 0.00 33.22 34.06 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 1.03 0.00 -0.54 2.12 1.02 0.43 -2.84 120.64 121.86 1l8y n GLU 45 Ca 0.16 0.00 0.44 0.00 -0.02 0.00 0.00 57.16 57.74 1l8y n GLU 45 Cb 0.52 0.00 0.73 0.00 -0.02 0.00 0.00 31.44 32.67 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 0.02 -0.12 3.49 3.64 -1.88 -1.60 116.57 120.13 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 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.75 1l8y h LYS 46 CO 0.00 0.02 -0.53 -0.22 -2.27 0.00 0.00 179.45 176.45 1l8y h LYS 47 N 0.02 -0.56 0.04 1.90 3.64 -1.88 -2.34 116.57 117.40 1l8y h LYS 47 Ca 0.88 0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 60.29 1l8y h LYS 47 Cb 3.08 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 35.03 1l8y h LYS 47 CO -0.28 -0.37 -0.02 0.93 -2.27 0.00 0.00 179.45 177.44 1l8y h GLU 48 N -0.58 -0.05 0.00 1.90 4.39 -1.39 -3.32 114.58 115.53 1l8y h GLU 48 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1l8y h GLU 48 Cb 0.67 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1l8y h GLU 48 CO -0.42 -0.04 0.00 1.63 -1.16 0.00 0.00 179.01 179.03 1l8y n LYS 49 N -4.68 0.00 -0.32 2.33 5.02 -0.91 -0.77 118.16 118.83 1l8y n LYS 49 Ca -0.01 0.57 0.21 0.00 -2.02 0.00 0.00 58.31 57.07 1l8y n LYS 49 Cb 0.02 -1.12 0.43 0.00 -0.02 0.00 0.00 35.03 34.34 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 0.32 -0.62 -0.35 -0.00 -1.65 -0.22 115.31 112.79 1l8y h LEU 50 Ca 0.00 0.20 -0.14 0.00 -0.00 0.00 0.00 57.88 57.94 1l8y h LEU 50 Cb 0.00 0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 40.85 1l8y h LEU 50 CO 0.00 -0.18 -0.49 0.24 -0.00 0.00 0.00 178.44 178.01 1l8y h MET 51 N 0.25 0.51 -0.87 1.13 2.86 -1.49 -2.96 114.93 114.36 1l8y h MET 51 Ca 0.69 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 58.04 1l8y h MET 51 Cb 1.57 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 33.21 1l8y h MET 51 CO -0.65 0.88 0.54 -1.49 1.06 0.00 0.00 176.91 177.25 1l8y h TRP 52 N 0.40 1.12 0.25 -0.22 4.06 0.92 -2.11 115.95 120.37 1l8y h TRP 52 Ca 0.02 0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.97 1l8y h TRP 52 Cb 1.00 -0.37 -0.01 0.00 -1.00 0.00 0.00 29.16 28.78 1l8y h TRP 52 CO 0.04 0.73 -0.25 0.82 -3.56 0.00 0.00 178.44 176.22 1l8y h ILE 53 N 1.19 0.00 -1.13 1.49 2.04 -1.37 -2.50 117.51 117.24 1l8y h ILE 53 Ca 0.31 0.00 0.33 0.00 1.00 0.00 0.00 64.86 66.50 1l8y h ILE 53 Cb -0.08 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 35.95 1l8y h ILE 53 CO -0.06 0.00 0.81 0.50 0.00 0.00 0.00 178.15 179.39 1l8y h LYS 54 N -0.50 0.03 0.67 2.37 1.63 -1.34 1.80 116.57 121.23 1l8y h LYS 54 Ca -0.03 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.73 1l8y h LYS 54 Cb 0.43 -0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.06 1l8y h LYS 54 CO -0.03 0.02 -0.32 -0.22 -3.45 0.00 0.00 179.45 175.44 1l8y h LYS 55 N 0.03 -0.87 0.00 1.90 3.64 -0.92 2.07 116.57 122.42 1l8y h LYS 55 Ca 0.54 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.98 1l8y h LYS 55 Cb 2.12 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 34.14 1l8y h LYS 55 CO -0.03 -0.58 -0.19 0.00 -2.27 0.00 0.00 179.45 176.38 1l8y n ALA 56 N -2.48 2.49 0.08 5.00 0.00 -0.38 -1.56 120.51 123.65 1l8y n ALA 56 Ca -0.14 -0.10 -0.08 0.00 0.00 0.00 0.00 53.44 53.13 1l8y n ALA 56 Cb 0.37 -1.38 -0.09 0.00 0.00 0.00 0.00 19.45 18.35 1l8y n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l8y h ALA 57 N 2.53 0.37 0.00 0.00 0.00 0.31 1.28 119.26 123.75 1l8y h ALA 57 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1l8y h ALA 57 Cb 0.73 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1l8y h ALA 57 CO 0.00 1.14 -0.40 1.49 0.00 0.00 0.00 179.25 181.48 1l8y h GLU 58 N 0.02 0.00 0.07 0.00 4.81 0.35 -3.32 114.58 116.52 1l8y h GLU 58 Ca -0.03 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.83 1l8y h GLU 58 Cb 1.73 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 31.08 1l8y h GLU 58 CO 0.14 0.00 -2.10 -0.25 -0.73 0.00 0.00 179.01 176.07 1l8y n ASP 59 N -2.36 1.84 -0.01 1.04 9.92 -0.60 -4.23 116.55 122.14 1l8y n ASP 59 Ca 0.04 0.14 0.23 0.00 -0.53 0.00 0.00 54.79 54.67 1l8y n ASP 59 Cb 0.46 -0.56 0.71 0.00 -0.64 0.00 0.00 41.12 41.09 1l8y n ASP 59 CO 0.00 0.00 0.00 0.06 0.13 0.00 0.00 177.20 177.39 1l8y h GLN 60 N 0.04 0.00 -1.00 -1.24 -0.00 0.16 -2.40 115.11 110.67 1l8y h GLN 60 Ca -0.45 0.00 0.23 0.00 -0.00 0.00 0.00 58.65 58.43 1l8y h GLN 60 Cb 2.01 0.00 -0.19 0.00 -0.00 0.00 0.00 27.48 29.30 1l8y h GLN 60 CO 0.04 0.00 -0.13 1.57 -0.00 0.00 0.00 178.83 180.32 1l8y h LYS 61 N 0.00 0.00 0.00 0.06 5.09 -1.74 0.88 116.57 120.87 1l8y h LYS 61 Ca 0.29 -0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.03 1l8y h LYS 61 Cb 1.46 -0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.79 1l8y h LYS 61 CO -0.00 0.00 0.00 0.54 -2.09 0.00 0.00 179.45 177.90 1l8y n ARG 62 N -5.57 0.00 -0.19 0.07 1.74 -0.90 -0.31 116.66 111.50 1l8y n ARG 62 Ca 0.19 0.45 -0.02 0.00 -0.77 0.00 0.00 57.85 57.70 1l8y n ARG 62 Cb 0.62 -1.45 0.04 0.00 -1.02 0.00 0.00 32.46 30.66 1l8y n ARG 62 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 1l8y h TYR 63 N 0.00 -0.44 0.18 -1.55 0.05 -1.59 0.83 116.97 114.46 1l8y h TYR 63 Ca 0.00 0.06 0.01 0.00 0.05 0.00 0.00 58.73 58.84 1l8y h TYR 63 Cb 0.00 0.28 -0.04 0.00 1.01 0.00 0.00 36.73 37.98 1l8y h TYR 63 CO 0.21 -0.29 -0.52 1.49 -1.05 0.00 0.00 178.16 178.00 1l8y h GLU 64 N -0.05 -0.76 -0.53 4.88 4.57 0.77 -0.95 114.58 122.51 1l8y h GLU 64 Ca 0.27 0.05 0.03 0.00 -1.18 0.00 0.00 59.36 58.53 1l8y h GLU 64 Cb 0.46 0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 29.20 1l8y h GLU 64 CO -0.62 -0.51 0.35 0.07 -1.18 0.00 0.00 179.01 177.13 1l8y h ARG 65 N -0.79 0.61 -0.13 1.92 0.11 0.17 0.14 114.38 116.41 1l8y h ARG 65 Ca -0.01 -0.04 0.02 0.00 0.10 0.00 0.00 59.98 60.05 1l8y h ARG 65 Cb 0.78 -0.14 -0.05 0.00 1.11 0.00 0.00 29.97 31.67 1l8y h ARG 65 CO -0.25 0.41 -0.36 1.49 0.10 0.00 0.00 179.97 181.35 1l8y h GLU 66 N 0.63 -0.35 0.07 0.08 4.57 0.20 0.84 114.58 120.62 1l8y h GLU 66 Ca 0.21 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.41 1l8y h GLU 66 Cb 0.06 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1l8y h GLU 66 CO -0.05 -0.23 -0.03 1.37 -1.18 0.00 0.00 179.01 178.88 1l8y h LEU 67 N -0.36 -0.08 -2.07 1.64 -0.00 -1.17 -3.21 115.31 110.05 1l8y h LEU 67 Ca 0.03 -0.52 0.09 0.00 -0.00 0.00 0.00 57.88 57.48 1l8y h LEU 67 Cb 0.44 0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.11 1l8y h LEU 67 CO -0.31 0.53 0.34 -1.28 -0.00 0.00 0.00 178.44 177.72 1l8y h SER 68 N -0.74 0.00 0.10 0.17 0.87 -0.67 0.15 113.55 113.43 1l8y h SER 68 Ca -0.01 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1l8y h SER 68 Cb 0.59 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1l8y h SER 68 CO 0.02 0.00 -0.01 -0.33 -0.53 0.00 0.00 176.83 175.98 1l8y h GLU 69 N 0.00 0.00 0.00 2.24 4.39 0.71 -0.81 114.58 121.11 1l8y h GLU 69 Ca 0.15 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.85 1l8y h GLU 69 Cb 0.84 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1l8y h GLU 69 CO -0.00 0.01 0.00 1.98 -1.16 0.00 0.00 179.01 179.84 1l8y h MET 70 N 0.00 0.00 -0.46 2.33 4.05 -0.85 -3.39 114.93 116.61 1l8y h MET 70 Ca -0.00 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.34 1l8y h MET 70 Cb 0.06 0.00 -0.15 0.00 -0.80 0.00 0.00 31.60 30.71 1l8y h MET 70 CO 0.00 0.00 -0.30 0.54 0.23 0.00 0.00 176.91 177.39 1l8y n ARG 71 N -2.75 0.34 -1.16 0.39 1.74 -0.34 -5.05 116.66 109.83 1l8y n ARG 71 Ca 0.01 -1.36 0.00 0.00 -0.77 0.00 0.00 57.85 55.73 1l8y n ARG 71 Cb 0.28 -0.69 0.00 0.00 -1.02 0.00 0.00 32.46 31.03 1l8y n ARG 71 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1l8y n ALA 72 N 2.52 -2.33 -0.01 7.54 0.00 -1.07 -4.91 120.51 122.26 1l8y n ALA 72 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.47 1l8y n ALA 72 Cb 0.62 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.02 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 0.01 -1.57 0.00 0.11 -1.72 -2.66 132.00 126.17 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 0.73 -0.35 -0.21 0.00 0.00 178.00 178.18 1l8y n PRO 74 N -5.14 2.45 -3.03 1.05 -0.04 -1.26 -4.52 135.00 124.52 1l8y n PRO 74 Ca -0.04 -2.78 -0.15 0.00 -0.04 0.00 0.00 63.50 60.49 1l8y n PRO 74 Cb 0.08 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 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 -0.18 1.76 -3.42 0.55 0.00 -1.00 -4.79 120.51 113.43 1l8y n ALA 75 Ca 0.51 -3.00 -0.43 0.00 0.00 0.00 0.00 53.44 50.51 1l8y n ALA 75 Cb 0.51 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.97 1l8y n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1l8y s ALA 76 N -2.04 4.45 -0.04 0.00 0.00 -1.26 -4.45 121.76 118.42 1l8y s ALA 76 Ca 0.35 -3.71 -0.00 0.00 0.00 0.00 0.00 51.96 48.60 1l8y s ALA 76 Cb 0.36 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 20.12 1l8y s ALA 76 CO -0.06 -2.20 0.00 2.41 0.00 0.00 0.00 175.76 175.91 1l8y n THR 77 N 2.93 -0.02 0.00 0.00 -1.04 -1.26 -4.92 114.28 109.96 1l8y n THR 77 Ca 0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.21 1l8y n THR 77 Cb 0.40 -0.58 0.00 0.00 -1.82 0.00 0.00 70.33 68.33 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 1.90 0.64 -4.57 8.00 4.05 -1.26 -4.63 115.26 119.39 1l8y n ASN 78 Ca -0.00 0.00 -0.39 0.00 0.45 0.00 0.00 54.58 54.63 1l8y n ASN 78 Cb 0.50 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 41.49 1l8y n ASN 78 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 1l8y s SER 79 N -4.59 6.36 -2.11 1.20 0.15 -1.26 -3.99 113.70 109.46 1l8y s SER 79 Ca 0.00 -1.96 0.00 0.00 0.70 0.00 0.00 55.95 54.69 1l8y s SER 79 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1l8y s SER 79 CO 0.00 -1.66 0.00 -1.20 1.20 0.00 0.00 173.24 171.58 1l8y n SER 80 N 9.83 -5.41 0.00 5.45 7.64 -1.26 -4.80 113.62 125.07 1l8y n SER 80 Ca 0.44 0.49 0.00 0.00 1.01 0.00 0.00 58.87 60.80 1l8y n SER 80 Cb 0.47 -4.66 0.00 0.00 -1.01 0.00 0.00 64.21 59.02 1l8y n SER 80 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1l8y n LYS 81 N -2.43 0.00 -1.16 1.43 2.85 -1.26 -3.05 118.16 114.54 1l8y n LYS 81 Ca -0.20 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 56.78 1l8y n LYS 81 Cb 0.66 0.00 0.06 0.00 -0.65 0.00 0.00 35.03 35.10 1l8y n LYS 81 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1l8y n LYS 82 N 0.00 2.33 -2.66 -1.58 -0.00 -1.26 -4.91 118.16 110.08 1l8y n LYS 82 Ca 0.00 -2.59 -0.05 0.00 -0.00 0.00 0.00 58.31 55.67 1l8y n LYS 82 Cb 0.00 -2.02 -0.04 0.00 -0.00 0.00 0.00 35.03 32.97 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 -0.38 -6.20 -0.78 -5.58 7.94 -1.17 -5.22 117.00 105.60 1l8y n LEU 83 Ca 0.49 2.14 0.13 0.00 -1.11 0.00 0.00 56.01 57.66 1l8y n LEU 83 Cb 0.62 -3.16 0.26 0.00 0.53 0.00 0.00 43.42 41.67 1l8y n LEU 83 CO 0.62 -3.91 0.72 -0.62 -1.11 0.00 0.00 177.39 173.10