#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l8y h LYS 2 N 0.00 0.00 -3.29 1.61 3.64 -1.73 -3.47 116.57 113.34 1l8y h LYS 2 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1l8y h LYS 2 Cb 0.00 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1l8y h LYS 2 CO 0.00 0.00 -0.09 1.47 -2.27 0.00 0.00 179.45 178.56 1l8y n LEU 3 N -3.20 -2.46 0.00 5.20 -0.00 -1.26 -4.94 117.00 110.33 1l8y n LEU 3 Ca -0.02 -0.07 0.00 0.00 -0.00 0.00 0.00 56.01 55.92 1l8y n LEU 3 Cb 0.17 -0.90 0.00 0.00 -0.00 0.00 0.00 43.42 42.69 1l8y n LEU 3 CO 0.20 -0.01 0.00 -0.81 -0.00 0.00 0.00 177.39 176.77 1l8y n PRO 4 N -1.60 0.00 -0.04 1.47 -0.04 -1.26 -4.97 135.00 128.55 1l8y n PRO 4 Ca -0.01 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.38 1l8y n PRO 4 Cb 0.51 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.94 1l8y n PRO 4 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1l8y n GLU 5 N 0.00 0.18 -2.91 0.54 0.28 -1.26 -5.08 120.64 112.39 1l8y n GLU 5 Ca 0.00 0.06 -0.02 0.00 -0.16 0.00 0.00 57.16 57.04 1l8y n GLU 5 Cb 0.00 -0.91 -0.02 0.00 1.43 0.00 0.00 31.44 31.94 1l8y n GLU 5 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1l8y n SER 6 N -3.14 -5.11 -2.14 -1.84 7.64 -1.26 -4.99 113.62 102.78 1l8y n SER 6 Ca -0.15 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.80 1l8y n SER 6 Cb 0.62 -3.08 0.00 0.00 -1.01 0.00 0.00 64.21 60.74 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 1.99 2.51 -1.57 1.43 -0.02 -1.26 -5.02 135.00 133.06 1l8y n PRO 7 Ca -0.14 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.29 1l8y n PRO 7 Cb 0.28 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 33.77 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 0.47 0.00 -0.52 0.00 -1.10 -4.97 118.16 112.05 1l8y n LYS 8 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 58.31 57.33 1l8y n LYS 8 Cb 0.00 0.46 0.00 0.00 0.00 0.00 0.00 35.03 35.49 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 -0.54 0.00 0.00 1.64 5.12 0.34 -3.12 116.66 120.10 1l8y n ARG 9 Ca -0.22 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.70 1l8y n ARG 9 Cb 0.73 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.03 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 4.57 -0.05 0.15 7.54 0.00 -0.88 -2.66 120.51 129.19 1l8y n ALA 10 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 1l8y n ALA 10 Cb 0.00 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.16 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 0.00 0.00 0.00 4.81 -1.58 -2.33 114.58 115.48 1l8y h GLU 11 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1l8y h GLU 11 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1l8y h GLU 11 CO 0.00 0.00 -0.00 1.49 -0.73 0.00 0.00 179.01 179.77 1l8y h GLU 12 N 0.00 -0.01 -0.47 1.92 4.22 0.88 -2.50 114.58 118.62 1l8y h GLU 12 Ca 0.15 0.00 0.10 0.00 0.08 0.00 0.00 59.36 59.69 1l8y h GLU 12 Cb 1.15 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.30 1l8y h GLU 12 CO -0.00 -0.00 -0.22 0.97 -2.18 0.00 0.00 179.01 177.58 1l8y h ILE 13 N -0.09 0.36 0.10 2.32 6.09 -0.44 -2.77 117.51 123.08 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 0.36 0.00 0.00 0.47 0.00 0.00 36.82 37.65 1l8y h ILE 13 CO 0.00 0.00 -0.05 -0.25 -3.07 0.00 0.00 178.15 174.78 1l8y h TRP 14 N -0.11 -0.13 -0.11 2.19 7.01 -1.62 -2.28 115.95 120.91 1l8y h TRP 14 Ca 0.22 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.23 1l8y h TRP 14 Cb 0.46 0.04 -0.03 0.00 -2.10 0.00 0.00 29.16 27.54 1l8y h TRP 14 CO -0.49 0.38 -0.20 0.37 -2.79 0.00 0.00 178.44 175.72 1l8y h GLN 15 N -0.77 -0.16 -0.62 2.65 5.75 -1.38 0.45 115.11 121.03 1l8y h GLN 15 Ca -0.01 0.01 0.18 0.00 -0.15 0.00 0.00 58.65 58.68 1l8y h GLN 15 Cb 0.57 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.13 1l8y h GLN 15 CO 0.02 -0.11 0.45 1.96 -2.65 0.00 0.00 178.83 178.50 1l8y h GLN 16 N -0.16 0.00 -0.20 1.69 1.08 -1.65 1.18 115.11 117.05 1l8y h GLN 16 Ca 0.02 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.17 1l8y h GLN 16 Cb 0.22 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 1l8y h GLN 16 CO -0.19 0.00 -0.07 0.77 -0.95 0.00 0.00 178.83 178.39 1l8y h SER 17 N 0.00 0.40 0.00 1.46 0.02 0.09 -3.34 113.55 112.19 1l8y h SER 17 Ca 0.29 -0.39 -0.42 0.00 -0.84 0.00 0.00 61.79 60.44 1l8y h SER 17 Cb 1.19 -0.11 -0.07 0.00 0.14 0.00 0.00 62.40 63.55 1l8y h SER 17 CO -0.00 0.70 -2.47 1.33 -1.14 0.00 0.00 176.83 175.24 1l8y n VAL 18 N -4.60 1.51 -0.61 2.27 0.24 0.12 -4.43 118.33 112.83 1l8y n VAL 18 Ca -0.05 -0.50 0.48 0.00 -2.04 0.00 0.00 64.34 62.23 1l8y n VAL 18 Cb 0.30 -1.60 0.78 0.00 -1.47 0.00 0.00 33.84 31.84 1l8y n VAL 18 CO 0.00 0.00 0.00 -0.29 -2.14 0.00 0.00 176.83 174.40 1l8y h ILE 19 N -0.37 0.07 -0.04 1.34 2.10 0.12 1.96 117.51 122.68 1l8y h ILE 19 Ca -0.62 -0.00 -0.14 0.00 1.08 0.00 0.00 64.86 65.17 1l8y h ILE 19 Cb 1.79 0.05 -0.01 0.00 -1.09 0.00 0.00 36.82 37.56 1l8y h ILE 19 CO -0.21 0.00 -0.62 1.23 -1.08 0.00 0.00 178.15 177.47 1l8y h GLY 20 N 0.01 0.18 1.28 8.18 0.00 -1.73 0.57 103.07 111.56 1l8y h GLY 20 Ca 0.88 -0.23 -0.17 0.00 0.00 0.00 0.00 47.33 47.80 1l8y h GLY 20 CO -0.11 0.21 -1.22 -1.80 0.00 0.00 0.00 176.54 173.61 1l8y h ASP 21 N 0.12 0.00 0.20 0.19 1.82 0.26 -2.04 116.42 116.98 1l8y h ASP 21 Ca -0.01 0.00 -0.28 0.00 -0.39 0.00 0.00 57.03 56.35 1l8y h ASP 21 Cb 1.13 0.00 0.03 0.00 0.68 0.00 0.00 39.33 41.17 1l8y h ASP 21 CO 0.09 0.64 -1.22 1.88 -1.61 0.00 0.00 179.24 179.02 1l8y h TYR 22 N 0.00 0.84 -0.00 0.28 0.05 -0.30 -2.83 116.97 115.00 1l8y h TYR 22 Ca -0.13 -0.60 -0.16 0.00 0.05 0.00 0.00 58.73 57.88 1l8y h TYR 22 Cb 1.61 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 39.29 1l8y h TYR 22 CO 0.00 1.47 -0.76 -0.07 -1.05 0.00 0.00 178.16 177.75 1l8y h LEU 23 N -0.02 0.07 0.03 3.88 3.38 0.03 -3.27 115.31 119.40 1l8y h LEU 23 Ca -0.21 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 1l8y h LEU 23 Cb 1.96 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.69 1l8y h LEU 23 CO 0.23 0.80 -0.01 0.00 0.09 0.00 0.00 178.44 179.55 1l8y h ALA 24 N 1.20 -0.04 -1.38 1.53 0.00 -1.43 1.45 119.26 120.59 1l8y h ALA 24 Ca -0.01 -0.08 0.40 0.00 0.00 0.00 0.00 54.91 55.21 1l8y h ALA 24 Cb 1.34 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.09 1l8y h ALA 24 CO 0.10 -0.45 1.06 0.07 0.00 0.00 0.00 179.25 180.04 1l8y h ARG 25 N -0.19 0.00 -0.14 0.00 0.11 -1.55 -1.37 114.38 111.24 1l8y h ARG 25 Ca -0.00 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.88 1l8y h ARG 25 Cb 0.18 0.00 -0.33 0.00 1.11 0.00 0.00 29.97 30.92 1l8y h ARG 25 CO 0.01 0.00 -0.89 0.34 0.10 0.00 0.00 179.97 179.53 1l8y n PHE 26 N -3.96 0.21 -1.83 4.08 7.35 -1.10 -4.99 117.46 117.22 1l8y n PHE 26 Ca 0.30 -1.16 0.00 0.00 -0.76 0.00 0.00 57.45 55.83 1l8y n PHE 26 Cb 1.49 0.08 0.00 0.00 0.35 0.00 0.00 39.48 41.41 1l8y n PHE 26 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 1l8y n LYS 27 N -0.14 -2.31 0.00 -4.13 -0.00 0.44 -3.44 118.16 108.58 1l8y n LYS 27 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 1l8y n LYS 27 Cb 0.95 -3.05 0.00 0.00 -0.00 0.00 0.00 35.03 32.93 1l8y n LYS 27 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1l8y n ASN 28 N -0.97 0.00 -0.45 -5.58 4.13 0.18 -4.93 115.26 107.64 1l8y n ASN 28 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1l8y n ASN 28 Cb 0.33 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.57 1l8y n ASN 28 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1l8y n ASP 29 N 0.00 0.81 -0.33 6.41 -0.08 -1.22 -4.35 116.55 117.80 1l8y n ASP 29 Ca 0.00 -1.81 0.16 0.00 -1.51 0.00 0.00 54.79 51.63 1l8y n ASP 29 Cb 0.00 -0.40 0.31 0.00 2.34 0.00 0.00 41.12 43.36 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 -0.01 -0.07 -0.37 -0.67 0.00 -1.26 0.17 116.66 114.45 1l8y n ARG 30 Ca 0.00 1.41 0.29 0.00 -0.00 0.00 0.00 57.85 59.54 1l8y n ARG 30 Cb 0.20 -2.26 0.57 0.00 0.00 0.00 0.00 32.46 30.97 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 0.35 0.00 5.15 2.07 -1.97 0.65 116.25 122.51 1l8y h VAL 31 Ca 0.60 -0.09 -0.27 0.00 0.82 0.00 0.00 66.70 67.76 1l8y h VAL 31 Cb 1.28 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 1l8y h VAL 31 CO -0.87 0.05 -2.08 0.29 0.02 0.00 0.00 177.57 174.97 1l8y n LYS 32 N -4.65 0.67 -0.23 1.57 4.76 0.46 -4.16 118.16 116.59 1l8y n LYS 32 Ca 0.30 0.04 -0.08 0.00 -2.87 0.00 0.00 58.31 55.70 1l8y n LYS 32 Cb 1.11 -1.60 0.03 0.00 -1.84 0.00 0.00 35.03 32.74 1l8y n LYS 32 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1l8y h ALA 33 N 1.23 0.84 -0.23 7.82 0.00 0.37 0.83 119.26 130.12 1l8y h ALA 33 Ca -0.36 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 1l8y h ALA 33 Cb 1.91 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 1l8y h ALA 33 CO 0.03 0.53 0.12 1.25 0.00 0.00 0.00 179.25 181.19 1l8y h LEU 34 N 0.93 0.30 0.04 0.00 6.46 -0.14 -1.84 115.31 121.05 1l8y h LEU 34 Ca 0.20 -0.10 -0.05 0.00 -0.12 0.00 0.00 57.88 57.81 1l8y h LEU 34 Cb 0.33 -0.08 0.01 0.00 -0.73 0.00 0.00 40.66 40.19 1l8y h LEU 34 CO -0.00 0.31 -0.23 0.11 -0.62 0.00 0.00 178.44 178.01 1l8y h LYS 35 N 0.26 0.09 -0.71 1.25 1.79 -1.69 0.91 116.57 118.47 1l8y h LYS 35 Ca 0.08 -0.15 0.20 0.00 -2.18 0.00 0.00 60.65 58.61 1l8y h LYS 35 Cb 0.08 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 30.76 1l8y h LYS 35 CO -0.01 1.04 0.63 0.00 -1.08 0.00 0.00 179.45 180.03 1l8y h ALA 36 N 0.06 2.54 0.01 3.86 0.00 0.63 0.95 119.26 127.31 1l8y h ALA 36 Ca -0.04 -0.02 -0.41 0.00 0.00 0.00 0.00 54.91 54.44 1l8y h ALA 36 Cb 1.15 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 1l8y h ALA 36 CO 0.04 -0.99 -2.28 -0.12 0.00 0.00 0.00 179.25 175.90 1l8y n MET 37 N -3.89 0.61 0.11 0.00 0.00 -0.69 -4.01 117.12 109.25 1l8y n MET 37 Ca 0.14 0.29 -0.04 0.00 -0.00 0.00 0.00 57.70 58.09 1l8y n MET 37 Cb 0.88 -1.56 -0.02 0.00 0.00 0.00 0.00 33.22 32.53 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 -0.72 -0.28 0.08 2.12 4.81 0.18 -1.91 114.58 118.87 1l8y h GLU 38 Ca -0.60 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.66 1l8y h GLU 38 Cb 1.65 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 31.05 1l8y h GLU 38 CO -0.29 -0.18 -0.51 0.52 -0.73 0.00 0.00 179.01 177.83 1l8y h MET 39 N -0.31 -0.67 -0.52 1.92 2.86 -1.04 0.46 114.93 117.63 1l8y h MET 39 Ca -0.03 0.05 0.15 0.00 -2.06 0.00 0.00 59.70 57.81 1l8y h MET 39 Cb 0.22 0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 1l8y h MET 39 CO 0.05 -0.45 0.67 1.15 1.06 0.00 0.00 176.91 179.39 1l8y h THR 40 N -0.70 0.20 0.04 2.22 2.02 -1.66 0.79 112.91 115.83 1l8y h THR 40 Ca -0.00 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 66.95 1l8y h THR 40 Cb 0.71 0.44 0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1l8y h THR 40 CO -0.29 0.00 -0.90 -0.25 0.37 0.00 0.00 175.52 174.45 1l8y h TRP 41 N 0.00 0.83 0.00 3.16 2.91 -0.07 -3.21 115.95 119.56 1l8y h TRP 41 Ca 0.25 -0.48 -0.18 0.00 1.13 0.00 0.00 58.89 59.61 1l8y h TRP 41 Cb 1.59 -0.08 -0.03 0.00 -0.51 0.00 0.00 29.16 30.13 1l8y h TRP 41 CO 0.00 1.32 -1.06 -0.91 -1.03 0.00 0.00 178.44 176.76 1l8y h ASN 42 N 0.10 0.00 0.35 2.65 2.35 0.10 -3.20 115.58 117.94 1l8y h ASN 42 Ca -0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1l8y h ASN 42 Cb 1.59 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.96 1l8y h ASN 42 CO 0.17 0.74 0.00 0.59 -1.65 0.00 0.00 177.43 177.29 1l8y n ASN 43 N -3.15 0.00 -0.07 5.81 3.02 0.24 -1.88 115.26 119.22 1l8y n ASN 43 Ca -0.04 0.30 0.07 0.00 -0.03 0.00 0.00 54.58 54.88 1l8y n ASN 43 Cb 0.87 -0.40 -0.07 0.00 -0.61 0.00 0.00 39.78 39.58 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 -1.40 2.00 0.00 3.52 1.56 -1.21 -5.03 117.12 116.57 1l8y n MET 44 Ca 0.05 -0.17 0.00 0.00 -0.27 0.00 0.00 57.70 57.31 1l8y n MET 44 Cb 0.13 -1.22 0.00 0.00 2.15 0.00 0.00 33.22 34.29 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 -1.10 0.00 0.19 2.12 -0.58 -0.79 -3.20 120.64 117.29 1l8y n GLU 45 Ca 0.04 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.91 1l8y n GLU 45 Cb 0.25 0.00 0.67 0.00 -0.57 0.00 0.00 31.44 31.80 1l8y n GLU 45 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 1l8y h LYS 46 N 0.00 0.00 0.02 3.49 3.64 -1.90 -3.19 116.57 118.63 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 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1l8y h LYS 46 CO 0.00 0.00 -0.01 -0.22 -2.27 0.00 0.00 179.45 176.95 1l8y h LYS 47 N 0.00 -0.02 0.00 1.90 3.64 -1.91 -3.09 116.57 117.09 1l8y h LYS 47 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1l8y h LYS 47 Cb 0.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1l8y h LYS 47 CO 0.00 -0.01 0.00 0.39 -2.27 0.00 0.00 179.45 177.56 1l8y n GLU 48 N -2.06 0.00 0.00 1.90 -0.58 -1.23 -2.33 120.64 116.33 1l8y n GLU 48 Ca -0.00 0.25 0.00 0.00 -0.42 0.00 0.00 57.16 56.98 1l8y n GLU 48 Cb 0.01 -1.13 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 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 -1.24 0.00 0.28 3.49 5.02 -1.20 0.25 118.16 124.76 1l8y n LYS 49 Ca 0.00 0.45 -0.17 0.00 -2.02 0.00 0.00 58.31 56.56 1l8y n LYS 49 Cb 0.00 -0.69 -0.09 0.00 -0.02 0.00 0.00 35.03 34.23 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 -1.33 -1.94 -0.35 7.12 -1.70 -2.59 115.31 114.51 1l8y h LEU 50 Ca 0.00 0.11 0.15 0.00 0.13 0.00 0.00 57.88 58.27 1l8y h LEU 50 Cb 0.00 0.44 -0.03 0.00 -0.53 0.00 0.00 40.66 40.54 1l8y h LEU 50 CO 0.00 -0.64 0.40 0.24 -0.13 0.00 0.00 178.44 178.31 1l8y h MET 51 N -0.97 0.06 -0.37 1.25 2.86 -0.95 0.43 114.93 117.23 1l8y h MET 51 Ca -0.06 -0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 1l8y h MET 51 Cb 0.84 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.47 1l8y h MET 51 CO -0.06 0.04 -0.01 -1.49 1.06 0.00 0.00 176.91 176.45 1l8y h TRP 52 N 0.06 0.61 0.03 -0.22 4.06 0.17 -2.81 115.95 117.84 1l8y h TRP 52 Ca 0.27 -0.07 0.01 0.00 2.06 0.00 0.00 58.89 61.16 1l8y h TRP 52 Cb 0.99 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.96 1l8y h TRP 52 CO -0.00 0.59 -0.21 0.82 -3.56 0.00 0.00 178.44 176.08 1l8y h ILE 53 N 0.56 0.00 -0.94 1.49 2.04 0.19 -2.04 117.51 118.81 1l8y h ILE 53 Ca 0.12 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.24 1l8y h ILE 53 Cb 0.37 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.40 1l8y h ILE 53 CO 0.01 0.00 0.66 0.50 0.00 0.00 0.00 178.15 179.33 1l8y h LYS 54 N -0.29 0.07 0.31 2.37 1.63 -1.47 2.98 116.57 122.18 1l8y h LYS 54 Ca 0.00 -0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1l8y h LYS 54 Cb 0.30 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.91 1l8y h LYS 54 CO -0.12 0.05 -0.15 -0.22 -3.45 0.00 0.00 179.45 175.55 1l8y h LYS 55 N 0.07 -0.41 0.00 1.90 3.64 -1.12 1.41 116.57 122.06 1l8y h LYS 55 Ca 0.46 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.86 1l8y h LYS 55 Cb 1.69 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.61 1l8y h LYS 55 CO -0.04 -0.27 -0.50 0.00 -2.27 0.00 0.00 179.45 176.37 1l8y h ALA 56 N 0.26 0.71 0.00 5.00 0.00 -0.95 -2.62 119.26 121.66 1l8y h ALA 56 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.75 1l8y h ALA 56 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1l8y h ALA 56 CO 0.07 0.00 -0.55 0.00 0.00 0.00 0.00 179.25 178.77 1l8y h ALA 57 N 2.26 0.80 0.00 0.00 0.00 0.57 1.73 119.26 124.62 1l8y h ALA 57 Ca 0.00 -0.50 -0.21 0.00 0.00 0.00 0.00 54.91 54.21 1l8y h ALA 57 Cb 0.87 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1l8y h ALA 57 CO 0.00 0.68 -0.98 1.49 0.00 0.00 0.00 179.25 180.45 1l8y h GLU 58 N 0.00 0.00 0.03 0.00 4.57 0.19 -3.32 114.58 116.06 1l8y h GLU 58 Ca -0.01 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.11 1l8y h GLU 58 Cb 1.20 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.79 1l8y h GLU 58 CO 0.07 0.98 -0.27 -0.44 -1.18 0.00 0.00 179.01 178.17 1l8y h ASP 59 N 0.00 0.18 -0.62 1.04 5.19 -0.99 -3.30 116.42 117.92 1l8y h ASP 59 Ca -0.01 -0.91 0.18 0.00 -0.62 0.00 0.00 57.03 55.67 1l8y h ASP 59 Cb 1.74 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 41.17 1l8y h ASP 59 CO 0.13 1.07 0.71 0.06 -3.12 0.00 0.00 179.24 178.09 1l8y h GLN 60 N -0.69 0.00 -0.99 3.56 -0.00 0.25 -1.07 115.11 116.18 1l8y h GLN 60 Ca -0.04 0.00 0.35 0.00 -0.00 0.00 0.00 58.65 58.96 1l8y h GLN 60 Cb 1.14 0.00 -0.17 0.00 -0.00 0.00 0.00 27.48 28.45 1l8y h GLN 60 CO 0.05 0.00 0.44 -0.22 -0.00 0.00 0.00 178.83 179.10 1l8y h LYS 61 N 0.00 0.11 0.26 0.06 3.64 -1.65 0.24 116.57 119.22 1l8y h LYS 61 Ca 0.30 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.66 1l8y h LYS 61 Cb 1.72 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.52 1l8y h LYS 61 CO -0.00 0.08 -0.12 0.00 -2.27 0.00 0.00 179.45 177.13 1l8y h ARG 62 N 0.12 -0.33 -0.86 1.90 2.47 -1.45 -3.06 114.38 113.17 1l8y h ARG 62 Ca 0.75 0.02 0.22 0.00 -1.26 0.00 0.00 59.98 59.71 1l8y h ARG 62 Cb 1.81 0.08 -0.13 0.00 -1.65 0.00 0.00 29.97 30.07 1l8y h ARG 62 CO -0.73 -0.12 0.26 0.10 0.56 0.00 0.00 179.97 180.03 1l8y h TYR 63 N -0.48 0.40 -0.67 3.04 -0.00 -0.72 -0.60 116.97 117.93 1l8y h TYR 63 Ca -0.04 0.05 0.14 0.00 0.00 0.00 0.00 58.73 58.88 1l8y h TYR 63 Cb 0.36 -0.04 -0.12 0.00 0.00 0.00 0.00 36.73 36.93 1l8y h TYR 63 CO -0.02 -0.16 -0.10 0.93 -0.00 0.00 0.00 178.16 178.81 1l8y h GLU 64 N 0.26 0.04 0.00 0.10 3.07 -1.36 0.73 114.58 117.41 1l8y h GLU 64 Ca 0.53 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.38 1l8y h GLU 64 Cb 1.03 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.93 1l8y h GLU 64 CO -0.61 0.02 -0.02 -0.09 -1.40 0.00 0.00 179.01 176.92 1l8y h ARG 65 N 0.04 0.00 0.00 2.33 9.65 -1.18 -2.48 114.38 122.73 1l8y h ARG 65 Ca 0.34 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.22 1l8y h ARG 65 Cb 0.54 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.12 1l8y h ARG 65 CO -0.65 0.02 0.00 0.39 2.80 0.00 0.00 179.97 182.52 1l8y n GLU 66 N -3.29 0.00 0.10 0.20 -0.58 0.25 -3.01 120.64 114.31 1l8y n GLU 66 Ca -0.02 0.13 -0.14 0.00 -0.42 0.00 0.00 57.16 56.71 1l8y n GLU 66 Cb 0.13 -0.80 -0.07 0.00 -0.57 0.00 0.00 31.44 30.12 1l8y n GLU 66 CO 0.00 0.00 0.00 1.37 -0.48 0.00 0.00 177.13 178.02 1l8y h LEU 67 N 0.00 -1.27 -1.98 -4.62 8.10 -1.55 -1.52 115.31 112.46 1l8y h LEU 67 Ca 0.00 0.14 0.11 0.00 0.11 0.00 0.00 57.88 58.24 1l8y h LEU 67 Cb 0.00 0.48 -0.01 0.00 -0.44 0.00 0.00 40.66 40.69 1l8y h LEU 67 CO 0.00 -0.49 0.43 -1.28 -4.11 0.00 0.00 178.44 172.99 1l8y h SER 68 N -0.64 0.00 -0.25 0.17 0.87 -1.66 0.32 113.55 112.35 1l8y h SER 68 Ca 0.03 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.66 1l8y h SER 68 Cb 0.68 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.63 1l8y h SER 68 CO -0.26 0.00 0.40 -0.08 -0.53 0.00 0.00 176.83 176.36 1l8y h GLU 69 N 0.00 0.00 0.00 2.24 4.22 -1.18 0.71 114.58 120.58 1l8y h GLU 69 Ca 0.17 0.00 -0.08 0.00 0.08 0.00 0.00 59.36 59.53 1l8y h GLU 69 Cb 1.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1l8y h GLU 69 CO -0.00 0.00 -1.08 1.98 -2.18 0.00 0.00 179.01 177.73 1l8y h MET 70 N 0.00 0.00 -1.90 1.92 4.05 -1.09 -3.39 114.93 114.52 1l8y h MET 70 Ca 0.12 0.00 -0.50 0.00 -0.28 0.00 0.00 59.70 59.04 1l8y h MET 70 Cb 0.92 0.00 -0.41 0.00 -0.80 0.00 0.00 31.60 31.31 1l8y h MET 70 CO -0.00 0.17 -1.01 -2.13 0.23 0.00 0.00 176.91 174.17 1l8y n ARG 71 N -2.85 1.81 -2.96 0.39 0.63 0.23 -4.92 116.66 108.99 1l8y n ARG 71 Ca -0.04 -3.86 -0.20 0.00 -0.92 0.00 0.00 57.85 52.83 1l8y n ARG 71 Cb 0.69 -1.83 -0.02 0.00 0.45 0.00 0.00 32.46 31.75 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 0.03 3.36 -0.18 5.13 0.00 0.05 -4.86 120.51 124.04 1l8y n ALA 72 Ca 0.25 -3.87 -0.02 0.00 0.00 0.00 0.00 53.44 49.81 1l8y n ALA 72 Cb 0.61 -0.83 0.08 0.00 0.00 0.00 0.00 19.45 19.31 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 2.95 0.38 -0.97 0.00 0.11 -1.91 -1.10 132.00 131.46 1l8y h PRO 73 Ca 0.10 -0.02 -0.30 0.00 0.11 0.00 0.00 66.00 65.88 1l8y h PRO 73 Cb 0.85 -0.09 -0.18 0.00 0.11 0.00 0.00 31.00 31.69 1l8y h PRO 73 CO 0.64 0.25 0.39 -0.35 -0.21 0.00 0.00 178.00 178.72 1l8y n PRO 74 N -4.98 1.98 -2.49 1.05 -0.04 -1.26 -4.24 135.00 125.02 1l8y n PRO 74 Ca 0.06 -1.96 -0.14 0.00 -0.04 0.00 0.00 63.50 61.42 1l8y n PRO 74 Cb 0.22 -1.79 0.03 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 -0.47 3.92 -3.67 0.55 0.00 -0.41 -4.91 120.51 115.51 1l8y n ALA 75 Ca 0.37 -3.41 -0.26 0.00 0.00 0.00 0.00 53.44 50.13 1l8y n ALA 75 Cb 1.23 -0.66 -0.17 0.00 0.00 0.00 0.00 19.45 19.85 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 -3.57 0.65 -0.31 0.00 0.00 -1.26 -4.80 121.76 112.47 1l8y s ALA 76 Ca 0.38 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.92 1l8y s ALA 76 Cb 0.39 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 22.45 1l8y s ALA 76 CO -0.03 -1.10 0.00 2.41 0.00 0.00 0.00 175.76 177.04 1l8y n THR 77 N 5.19 -0.14 -2.04 0.00 -1.04 -1.26 -4.88 114.28 110.12 1l8y n THR 77 Ca -0.08 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.89 1l8y n THR 77 Cb 0.48 -0.88 -0.02 0.00 -1.82 0.00 0.00 70.33 68.09 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 1.36 -0.86 0.00 8.00 4.13 -1.26 -4.93 115.26 121.70 1l8y n ASN 78 Ca -0.04 -1.65 0.00 0.00 1.68 0.00 0.00 54.58 54.57 1l8y n ASN 78 Cb 0.46 0.30 0.00 0.00 -1.54 0.00 0.00 39.78 39.00 1l8y n ASN 78 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1l8y n SER 79 N -0.24 0.92 0.06 6.41 3.41 -1.26 -4.83 113.62 118.09 1l8y n SER 79 Ca -0.21 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.32 1l8y n SER 79 Cb 0.64 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.47 1l8y n SER 79 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1l8y h SER 80 N 0.00 0.05 0.00 4.04 0.02 -1.95 -3.47 113.55 112.24 1l8y h SER 80 Ca 0.00 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1l8y h SER 80 Cb 0.49 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1l8y h SER 80 CO 0.00 1.05 0.00 1.17 -1.14 0.00 0.00 176.83 177.91 1l8y n LYS 81 N -3.36 0.00 -0.67 3.45 4.81 -1.26 -4.06 118.16 117.07 1l8y n LYS 81 Ca -0.02 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.37 1l8y n LYS 81 Cb 0.96 0.00 0.19 0.00 0.02 0.00 0.00 35.03 36.19 1l8y n LYS 81 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1l8y n LYS 82 N 0.00 2.66 -1.73 1.64 5.02 -1.26 -4.96 118.16 119.53 1l8y n LYS 82 Ca 0.00 -1.95 -0.42 0.00 -2.02 0.00 0.00 58.31 53.92 1l8y n LYS 82 Cb 0.00 -1.87 -0.03 0.00 -0.02 0.00 0.00 35.03 33.11 1l8y n LYS 82 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1l8y s LEU 83 N -1.91 4.38 0.00 -0.35 0.05 -1.26 -5.25 118.68 114.35 1l8y s LEU 83 Ca 0.35 2.82 0.00 0.00 0.05 0.00 0.00 54.13 57.35 1l8y s LEU 83 Cb 0.28 -3.59 0.00 0.00 -2.05 0.00 0.00 46.19 40.84 1l8y s LEU 83 CO 0.09 -0.98 0.00 1.21 -0.55 0.00 0.00 176.35 176.12