#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d8b n LEU 12 N 0.00 0.87 -2.73 4.31 4.77 -1.26 -4.48 117.00 118.48 1d8b n LEU 12 Ca 0.00 -0.39 -0.22 0.00 -0.03 0.00 0.00 56.01 55.36 1d8b n LEU 12 Cb 0.00 -0.08 -0.08 0.00 -2.33 0.00 0.00 43.42 40.94 1d8b n LEU 12 CO 0.00 0.20 2.29 -3.20 -1.33 0.00 0.00 177.39 175.35 1d8b n ASN 13 N -0.14 5.93 0.14 -1.43 5.15 -1.26 -4.39 115.26 119.26 1d8b n ASN 13 Ca 0.11 -2.40 0.13 0.00 -0.60 0.00 0.00 54.58 51.83 1d8b n ASN 13 Cb 0.18 -1.28 0.41 0.00 -0.53 0.00 0.00 39.78 38.55 1d8b n ASN 13 CO 0.00 0.00 0.00 -1.13 1.40 0.00 0.00 177.26 177.53 1d8b h ASN 14 N 4.62 0.00 -0.46 1.20 -0.73 -2.02 -3.13 115.58 115.06 1d8b h ASN 14 Ca 0.47 0.00 0.04 0.00 1.87 0.00 0.00 56.30 58.68 1d8b h ASN 14 Cb 0.69 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 39.26 1d8b h ASN 14 CO 1.03 0.00 0.31 0.25 -0.37 0.00 0.00 177.43 178.65 1d8b h LEU 15 N 0.00 0.39 -0.94 0.34 6.46 -1.90 -0.56 115.31 119.10 1d8b h LEU 15 Ca 0.00 -0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.70 1d8b h LEU 15 Cb 0.68 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 40.50 1d8b h LEU 15 CO 0.00 0.26 0.16 -0.09 -0.62 0.00 0.00 178.44 178.15 1d8b h ARG 16 N 0.45 0.93 -0.50 1.25 9.65 -1.93 -0.96 114.38 123.28 1d8b h ARG 16 Ca 0.19 -0.20 -0.03 0.00 -1.10 0.00 0.00 59.98 58.84 1d8b h ARG 16 Cb 0.20 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 28.62 1d8b h ARG 16 CO -0.05 0.83 0.18 1.98 2.80 0.00 0.00 179.97 185.71 1d8b h MET 17 N 0.90 0.76 0.01 0.20 4.05 -1.29 -0.05 114.93 119.51 1d8b h MET 17 Ca 0.20 -0.15 -0.00 0.00 -0.28 0.00 0.00 59.70 59.46 1d8b h MET 17 Cb 0.31 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 30.99 1d8b h MET 17 CO -0.00 0.70 -0.01 1.15 0.23 0.00 0.00 176.91 178.98 1d8b h THR 18 N 0.67 1.10 -0.61 -0.77 2.02 -1.17 -2.06 112.91 112.10 1d8b h THR 18 Ca 0.16 -0.35 0.02 0.00 0.77 0.00 0.00 66.41 67.01 1d8b h THR 18 Cb 0.24 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.95 1d8b h THR 18 CO -0.01 0.09 0.40 0.22 0.37 0.00 0.00 175.52 176.59 1d8b h TYR 19 N -0.17 0.74 0.04 3.16 3.20 -1.06 -2.11 116.97 120.76 1d8b h TYR 19 Ca -0.00 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 1d8b h TYR 19 Cb 0.16 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.18 1d8b h TYR 19 CO -0.03 0.45 -0.02 1.49 -1.64 0.00 0.00 178.16 178.42 1d8b h GLU 20 N 0.78 -0.05 -0.20 1.82 4.57 -0.75 0.42 114.58 121.17 1d8b h GLU 20 Ca 0.23 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.39 1d8b h GLU 20 Cb -0.03 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.56 1d8b h GLU 20 CO -0.06 0.27 0.03 -0.09 -1.18 0.00 0.00 179.01 177.99 1d8b h ARG 21 N -0.38 0.28 -0.14 1.92 9.65 -1.16 0.06 114.38 124.62 1d8b h ARG 21 Ca -0.01 -0.04 -0.20 0.00 -1.10 0.00 0.00 59.98 58.63 1d8b h ARG 21 Cb 0.35 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.88 1d8b h ARG 21 CO 0.01 0.29 -0.73 -0.07 2.80 0.00 0.00 179.97 182.27 1d8b h LEU 22 N 0.28 0.78 -0.39 3.80 3.38 -1.26 -1.72 115.31 120.18 1d8b h LEU 22 Ca 0.07 -0.50 -0.14 0.00 0.09 0.00 0.00 57.88 57.40 1d8b h LEU 22 Cb 0.15 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1d8b h LEU 22 CO -0.00 1.27 -0.31 -0.09 0.09 0.00 0.00 178.44 179.40 1d8b h ARG 23 N 0.46 0.89 -0.34 1.13 9.65 -0.12 0.17 114.38 126.22 1d8b h ARG 23 Ca -0.04 -0.45 -0.12 0.00 -1.10 0.00 0.00 59.98 58.28 1d8b h ARG 23 Cb 1.34 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.91 1d8b h ARG 23 CO 0.14 1.09 -0.26 1.49 2.80 0.00 0.00 179.97 185.24 1d8b h GLU 24 N 0.70 0.69 -0.11 0.20 4.81 -1.03 -1.55 114.58 118.30 1d8b h GLU 24 Ca 0.07 -0.29 -0.17 0.00 -0.13 0.00 0.00 59.36 58.84 1d8b h GLU 24 Cb 0.90 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 1d8b h GLU 24 CO 0.08 0.88 -0.66 1.25 -0.73 0.00 0.00 179.01 179.84 1d8b h LEU 25 N 0.60 0.49 -1.14 1.64 6.46 -1.17 -0.55 115.31 121.63 1d8b h LEU 25 Ca 0.08 -0.30 -0.07 0.00 -0.12 0.00 0.00 57.88 57.47 1d8b h LEU 25 Cb 0.76 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 40.53 1d8b h LEU 25 CO 0.06 1.01 -0.20 0.28 -0.62 0.00 0.00 178.44 178.97 1d8b h SER 26 N 0.30 0.34 0.77 1.25 0.02 -0.35 0.42 113.55 116.30 1d8b h SER 26 Ca -0.02 -0.10 -0.25 0.00 -0.84 0.00 0.00 61.79 60.59 1d8b h SER 26 Cb 1.21 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.64 1d8b h SER 26 CO 0.11 0.56 -1.22 -0.07 -1.14 0.00 0.00 176.83 175.08 1d8b h LEU 27 N 0.32 0.17 0.59 5.07 4.07 -1.14 -1.51 115.31 122.89 1d8b h LEU 27 Ca 0.05 -0.20 -0.03 0.00 0.08 0.00 0.00 57.88 57.78 1d8b h LEU 27 Cb 0.55 -0.06 0.01 0.00 1.08 0.00 0.00 40.66 42.23 1d8b h LEU 27 CO 0.04 1.16 -0.28 0.78 -1.08 0.00 0.00 178.44 179.06 1d8b h ASN 28 N 0.03 -0.67 0.16 -0.43 2.35 -0.66 -1.13 115.58 115.23 1d8b h ASN 28 Ca -0.11 0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 55.56 1d8b h ASN 28 Cb 1.89 0.17 -0.01 0.00 0.05 0.00 0.00 38.32 40.42 1d8b h ASN 28 CO 0.15 -0.33 -0.37 -0.07 -1.65 0.00 0.00 177.43 175.16 1d8b h LEU 29 N -1.09 0.31 -0.44 1.61 3.38 -1.09 -2.53 115.31 115.47 1d8b h LEU 29 Ca -0.08 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1d8b h LEU 29 Cb 0.61 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1d8b h LEU 29 CO 0.13 0.66 0.18 1.23 0.09 0.00 0.00 178.44 180.73 1d8b h GLY 30 N 1.15 0.71 1.73 0.83 0.00 -1.30 -2.12 103.07 104.07 1d8b h GLY 30 Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1d8b h GLY 30 CO 0.06 0.36 -0.17 -2.01 0.00 0.00 0.00 176.54 174.79 1d8b n ASN 31 N -4.61 0.47 -0.32 0.19 5.15 -0.43 -0.83 115.26 114.89 1d8b n ASN 31 Ca 0.01 0.37 0.13 0.00 -0.60 0.00 0.00 54.58 54.48 1d8b n ASN 31 Cb 0.15 -0.40 0.38 0.00 -0.53 0.00 0.00 39.78 39.38 1d8b n ASN 31 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1d8b n ARG 32 N -1.87 1.06 -3.29 1.20 0.63 -0.96 -4.82 116.66 108.61 1d8b n ARG 32 Ca 0.06 -0.65 -0.28 0.00 -0.92 0.00 0.00 57.85 56.06 1d8b n ARG 32 Cb 0.39 -1.49 -0.03 0.00 0.45 0.00 0.00 32.46 31.79 1d8b n ARG 32 CO 0.00 0.00 0.00 1.41 -2.51 0.00 0.00 177.63 176.53 1d8b s MET 33 N -2.39 3.60 -0.16 -0.14 1.75 -0.82 -5.02 119.30 116.11 1d8b s MET 33 Ca 0.27 -0.04 -0.01 0.00 -1.25 0.00 0.00 55.69 54.65 1d8b s MET 33 Cb 0.20 -2.63 0.05 0.00 2.84 0.00 0.00 34.83 35.29 1d8b s MET 33 CO 0.48 0.17 -0.01 0.08 -0.65 0.00 0.00 175.02 175.08 1d8b s VAL 34 N -2.18 0.82 0.52 10.11 1.01 -1.26 -1.49 120.40 127.93 1d8b s VAL 34 Ca 0.43 -0.52 -0.19 0.00 0.00 0.00 0.00 61.98 61.70 1d8b s VAL 34 Cb -0.10 -1.11 -0.07 0.00 0.00 0.00 0.00 36.38 35.09 1d8b s VAL 34 CO 0.32 0.02 1.07 -2.16 0.00 0.00 0.00 175.10 174.36 1d8b s PRO 35 N 1.75 3.58 0.31 2.72 0.04 -1.26 -5.10 135.00 137.04 1d8b s PRO 35 Ca 0.00 1.43 -0.29 0.00 0.04 0.00 0.00 61.00 62.18 1d8b s PRO 35 Cb -0.16 -2.06 -0.12 0.00 0.04 0.00 0.00 34.50 32.21 1d8b s PRO 35 CO -0.07 -0.63 1.46 -2.30 0.04 0.00 0.00 177.00 175.50 1d8b n PRO 36 N -1.22 2.41 -3.18 0.56 -0.02 -0.55 -4.96 135.00 128.04 1d8b n PRO 36 Ca 0.10 0.85 -0.41 0.00 -2.02 0.00 0.00 63.50 62.02 1d8b n PRO 36 Cb 0.52 -2.55 -0.07 0.00 -0.02 0.00 0.00 33.50 31.38 1d8b n PRO 36 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1d8b s VAL 37 N -0.51 5.00 0.01 -1.45 1.01 -0.01 -4.92 120.40 119.53 1d8b s VAL 37 Ca 0.61 0.80 0.29 0.00 0.00 0.00 0.00 61.98 63.67 1d8b s VAL 37 Cb -0.54 -3.92 0.33 0.00 0.00 0.00 0.00 36.38 32.24 1d8b s VAL 37 CO 0.55 -0.06 1.86 1.23 0.00 0.00 0.00 175.10 178.69 1d8b h GLY 38 N 8.99 0.00 -6.17 4.51 0.00 -1.93 -3.35 103.07 105.13 1d8b h GLY 38 Ca -0.28 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.49 1d8b h GLY 38 CO 0.76 0.00 -1.02 1.16 0.00 0.00 0.00 176.54 177.44 1d8b n ASN 39 N -3.18 -0.29 -0.07 0.19 0.23 -1.26 -4.99 115.26 105.89 1d8b n ASN 39 Ca 0.01 -2.53 -0.11 0.00 -0.53 0.00 0.00 54.58 51.43 1d8b n ASN 39 Cb 0.39 -0.53 -0.05 0.00 -2.08 0.00 0.00 39.78 37.52 1d8b n ASN 39 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1d8b h PHE 40 N 4.90 -1.19 -3.32 -2.53 3.57 -1.77 -3.38 116.94 113.22 1d8b h PHE 40 Ca 0.18 0.06 -0.50 0.00 3.53 0.00 0.00 57.97 61.23 1d8b h PHE 40 Cb 0.90 0.56 -0.35 0.00 2.79 0.00 0.00 35.95 39.85 1d8b h PHE 40 CO 0.30 -0.45 -0.80 1.41 -2.23 0.00 0.00 178.31 176.54 1d8b s MET 41 N -5.88 1.45 0.38 1.11 1.75 -1.26 -4.88 119.30 111.96 1d8b s MET 41 Ca -0.15 -0.28 -0.28 0.00 -1.25 0.00 0.00 55.69 53.74 1d8b s MET 41 Cb 0.11 -1.37 -0.11 0.00 2.84 0.00 0.00 34.83 36.30 1d8b s MET 41 CO 0.65 -0.13 1.46 -2.14 -0.65 0.00 0.00 175.02 174.22 1d8b s PRO 42 N 1.19 4.09 0.34 4.11 0.02 -1.26 -4.72 135.00 138.77 1d8b s PRO 42 Ca -0.05 2.52 0.11 0.00 0.02 0.00 0.00 61.00 63.60 1d8b s PRO 42 Cb -0.14 -2.95 0.90 0.00 0.02 0.00 0.00 34.50 32.33 1d8b s PRO 42 CO -0.02 -0.53 1.78 0.38 -0.33 0.00 0.00 177.00 178.28 1d8b h ASP 43 N 2.97 0.64 -0.83 2.53 2.03 -1.97 0.29 116.42 122.07 1d8b h ASP 43 Ca -0.51 0.09 -0.00 0.00 -0.73 0.00 0.00 57.03 55.88 1d8b h ASP 43 Cb 1.24 -0.02 -0.04 0.00 -0.83 0.00 0.00 39.33 39.68 1d8b h ASP 43 CO 0.64 0.19 0.50 0.28 -1.03 0.00 0.00 179.24 179.82 1d8b h SER 44 N 0.60 0.99 0.29 4.15 0.02 -2.00 -0.47 113.55 117.13 1d8b h SER 44 Ca 0.58 -0.06 -0.26 0.00 -0.84 0.00 0.00 61.79 61.20 1d8b h SER 44 Cb 1.13 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 63.44 1d8b h SER 44 CO -0.35 0.76 -1.10 0.40 -1.14 0.00 0.00 176.83 175.41 1d8b h ILE 45 N 1.14 1.37 -0.53 3.27 1.08 -1.26 -2.88 117.51 119.69 1d8b h ILE 45 Ca 0.30 -2.53 0.01 0.00 -0.39 0.00 0.00 64.86 62.25 1d8b h ILE 45 Cb -0.05 2.59 -0.03 0.00 -3.07 0.00 0.00 36.82 36.26 1d8b h ILE 45 CO -0.06 0.76 0.35 -0.07 -0.69 0.00 0.00 178.15 178.45 1d8b h LEU 46 N 0.24 0.59 -0.07 1.44 3.38 -0.17 0.11 115.31 120.83 1d8b h LEU 46 Ca -0.13 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.71 1d8b h LEU 46 Cb 1.76 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 42.37 1d8b h LEU 46 CO 0.20 0.42 -0.43 0.11 0.09 0.00 0.00 178.44 178.83 1d8b h LYS 47 N 0.70 0.41 -0.31 1.13 1.57 -1.09 -1.15 116.57 117.83 1d8b h LYS 47 Ca 0.20 -0.35 -0.17 0.00 -1.87 0.00 0.00 60.65 58.46 1d8b h LYS 47 Cb -0.04 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1d8b h LYS 47 CO -0.05 1.00 -0.48 1.57 -0.57 0.00 0.00 179.45 180.92 1d8b h LYS 48 N -0.07 0.84 -0.11 3.15 2.10 -1.26 -1.48 116.57 119.74 1d8b h LYS 48 Ca -0.04 -0.49 -0.08 0.00 -2.00 0.00 0.00 60.65 58.05 1d8b h LYS 48 Cb 1.09 0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.45 1d8b h LYS 48 CO 0.09 1.13 -0.27 0.00 -2.00 0.00 0.00 179.45 178.39 1d8b h MET 49 N 0.67 0.21 0.01 0.07 -0.00 -0.86 -1.13 114.93 113.89 1d8b h MET 49 Ca 0.03 -0.07 -0.19 0.00 -0.00 0.00 0.00 59.70 59.48 1d8b h MET 49 Cb 1.07 -0.02 -0.02 0.00 -0.00 0.00 0.00 31.60 32.63 1d8b h MET 49 CO 0.11 0.47 -0.87 0.00 -0.00 0.00 0.00 176.91 176.62 1d8b h ALA 50 N 1.54 0.56 0.16 -3.00 0.00 -1.01 0.12 119.26 117.63 1d8b h ALA 50 Ca 0.03 -0.76 -0.29 0.00 0.00 0.00 0.00 54.91 53.88 1d8b h ALA 50 Cb 0.59 -0.12 0.03 0.00 0.00 0.00 0.00 17.79 18.29 1d8b h ALA 50 CO 0.04 1.02 -1.25 0.00 0.00 0.00 0.00 179.25 179.06 1d8b h ALA 51 N 1.09 -0.07 0.11 0.00 0.00 -0.94 -3.38 119.26 116.06 1d8b h ALA 51 Ca -0.02 -0.78 -0.33 0.00 0.00 0.00 0.00 54.91 53.77 1d8b h ALA 51 Cb 1.52 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 1d8b h ALA 51 CO 0.12 0.64 -1.80 0.82 0.00 0.00 0.00 179.25 179.03 1d8b h ILE 52 N 0.15 0.73 -5.66 0.00 5.03 -1.30 -3.50 117.51 112.95 1d8b h ILE 52 Ca -0.20 -2.33 -0.11 0.00 -0.12 0.00 0.00 64.86 62.10 1d8b h ILE 52 Cb 1.94 2.49 0.00 0.00 -3.03 0.00 0.00 36.82 38.22 1d8b h ILE 52 CO 0.24 0.77 -0.50 0.18 -0.68 0.00 0.00 178.15 178.16 1d8b n LEU 53 N -3.71 -6.10 -4.62 1.44 4.77 0.41 -4.89 117.00 104.30 1d8b n LEU 53 Ca -0.31 0.06 -0.43 0.00 -0.03 0.00 0.00 56.01 55.30 1d8b n LEU 53 Cb 0.97 -2.92 -0.02 0.00 -2.33 0.00 0.00 43.42 39.12 1d8b n LEU 53 CO 0.39 -1.29 1.04 -2.16 -1.33 0.00 0.00 177.39 174.03 1d8b s PRO 54 N -3.00 3.86 -0.03 3.23 0.05 -1.26 -4.88 135.00 132.97 1d8b s PRO 54 Ca 0.15 0.87 0.12 0.00 0.05 0.00 0.00 61.00 62.20 1d8b s PRO 54 Cb -0.03 -3.85 0.41 0.00 0.05 0.00 0.00 34.50 31.07 1d8b s PRO 54 CO 0.79 -1.19 1.31 -1.33 0.05 0.00 0.00 177.00 176.63 1d8b n MET 55 N 7.45 2.32 -3.90 4.56 2.81 -1.26 -4.76 117.12 124.33 1d8b n MET 55 Ca 0.13 -1.65 -0.10 0.00 -1.81 0.00 0.00 57.70 54.26 1d8b n MET 55 Cb 0.48 -1.48 -0.10 0.00 -0.71 0.00 0.00 33.22 31.40 1d8b n MET 55 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1d8b s ASN 56 N -0.88 0.09 0.32 7.83 3.84 -1.26 -5.03 114.94 119.85 1d8b s ASN 56 Ca 0.30 -0.29 0.03 0.00 0.21 0.00 0.00 52.86 53.12 1d8b s ASN 56 Cb 0.17 0.17 0.54 0.00 -0.55 0.00 0.00 41.25 41.59 1d8b s ASN 56 CO 0.18 -0.34 1.83 0.44 -2.79 0.00 0.00 177.10 176.43 1d8b h ASP 57 N 4.46 0.51 -0.19 -4.21 5.19 -2.00 -1.23 116.42 118.95 1d8b h ASP 57 Ca -0.31 -0.11 -0.14 0.00 -0.62 0.00 0.00 57.03 55.85 1d8b h ASP 57 Cb 1.20 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 40.57 1d8b h ASP 57 CO 0.41 0.62 -0.37 0.28 -3.12 0.00 0.00 179.24 177.06 1d8b h SER 58 N 0.50 0.76 0.24 6.45 0.02 -1.99 -2.63 113.55 116.91 1d8b h SER 58 Ca 0.10 -0.33 -0.05 0.00 -0.84 0.00 0.00 61.79 60.67 1d8b h SER 58 Cb 0.41 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1d8b h SER 58 CO 0.02 1.05 -0.24 0.00 -1.14 0.00 0.00 176.83 176.51 1d8b h ALA 59 N 0.99 1.59 -0.13 3.77 0.00 -1.77 -2.30 119.26 121.41 1d8b h ALA 59 Ca 0.06 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.78 1d8b h ALA 59 Cb 0.90 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1d8b h ALA 59 CO 0.08 0.31 0.15 0.74 0.00 0.00 0.00 179.25 180.54 1d8b h PHE 60 N 0.01 0.00 0.00 0.00 0.04 -0.85 -1.09 116.94 115.05 1d8b h PHE 60 Ca -0.00 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1d8b h PHE 60 Cb 0.44 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.59 1d8b h PHE 60 CO 0.00 0.00 -0.01 0.00 -0.60 0.00 0.00 178.31 177.70 1d8b h ALA 61 N 1.81 1.24 0.00 2.45 0.00 -1.50 -1.59 119.26 121.67 1d8b h ALA 61 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1d8b h ALA 61 Cb 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1d8b h ALA 61 CO -0.00 0.01 0.00 1.79 0.00 0.00 0.00 179.25 181.05 1d8b h THR 62 N 0.00 0.00 -0.00 0.00 1.35 -1.40 -0.71 112.91 112.15 1d8b h THR 62 Ca -0.00 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1d8b h THR 62 Cb 0.05 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.45 1d8b h THR 62 CO 0.00 0.00 -0.12 0.18 -0.25 0.00 0.00 175.52 175.33 1d8b n LEU 63 N -2.55 0.37 0.00 3.87 4.77 -0.60 -5.03 117.00 117.83 1d8b n LEU 63 Ca 0.00 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1d8b n LEU 63 Cb 0.18 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1d8b n LEU 63 CO 0.19 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 1d8b n GLY 64 N 1.32 -0.04 2.94 -0.72 0.00 -0.27 -4.72 105.19 103.69 1d8b n GLY 64 Ca 0.13 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.72 1d8b n GLY 64 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1d8b n THR 65 N 0.00 5.16 -1.68 2.61 -2.24 -1.26 -4.58 114.28 112.29 1d8b n THR 65 Ca 0.00 -5.90 -0.44 0.00 -2.27 0.00 0.00 64.05 55.44 1d8b n THR 65 Cb 0.00 -2.05 -0.02 0.00 -2.10 0.00 0.00 70.33 66.16 1d8b n THR 65 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1d8b n VAL 66 N 1.20 1.22 -1.71 2.28 0.24 -1.26 -4.97 118.33 115.33 1d8b n VAL 66 Ca 0.27 -0.31 -0.30 0.00 -2.04 0.00 0.00 64.34 61.97 1d8b n VAL 66 Cb 0.33 -1.55 0.06 0.00 -1.47 0.00 0.00 33.84 31.22 1d8b n VAL 66 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1d8b s GLU 67 N -0.78 2.57 0.45 7.34 2.02 -1.26 -4.85 118.70 124.19 1d8b s GLU 67 Ca 0.65 0.60 0.13 0.00 0.02 0.00 0.00 54.97 56.36 1d8b s GLU 67 Cb -0.61 -1.98 1.04 0.00 0.10 0.00 0.00 34.13 32.68 1d8b s GLU 67 CO 0.53 -1.27 2.04 0.22 0.02 0.00 0.00 175.26 176.80 1d8b h ASP 68 N -0.83 0.31 0.07 -0.19 3.58 -1.98 0.13 116.42 117.51 1d8b h ASP 68 Ca -0.46 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 56.98 1d8b h ASP 68 Cb 1.25 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 42.23 1d8b h ASP 68 CO 0.61 0.20 -0.04 0.07 -2.88 0.00 0.00 179.24 177.21 1d8b h LYS 69 N 0.35 0.00 0.06 0.28 2.10 -2.01 -0.82 116.57 116.53 1d8b h LYS 69 Ca 0.18 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.52 1d8b h LYS 69 Cb 0.27 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.57 1d8b h LYS 69 CO -0.04 0.04 -1.65 1.88 -2.00 0.00 0.00 179.45 177.68 1d8b h TYR 70 N 0.00 0.25 -0.26 0.07 0.05 -1.13 -3.34 116.97 112.60 1d8b h TYR 70 Ca -0.00 -0.18 -0.04 0.00 0.05 0.00 0.00 58.73 58.56 1d8b h TYR 70 Cb 0.08 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 1d8b h TYR 70 CO 0.00 1.29 -0.02 0.00 -1.05 0.00 0.00 178.16 178.38 1d8b h ARG 71 N 0.04 0.40 0.09 4.88 2.47 -0.22 -2.39 114.38 119.65 1d8b h ARG 71 Ca -0.28 -0.08 0.02 0.00 -1.26 0.00 0.00 59.98 58.39 1d8b h ARG 71 Cb 2.00 -0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 30.22 1d8b h ARG 71 CO 0.11 0.45 -0.31 0.00 0.56 0.00 0.00 179.97 180.78 1d8b h ARG 72 N 0.39 -0.49 0.00 0.04 3.08 -1.31 -0.70 114.38 115.38 1d8b h ARG 72 Ca 0.09 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1d8b h ARG 72 Cb 0.29 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1d8b h ARG 72 CO 0.01 -0.33 0.00 0.54 -1.07 0.00 0.00 179.97 179.12 1d8b n ARG 73 N -5.41 0.11 -0.00 0.04 3.00 -1.15 -2.86 116.66 110.39 1d8b n ARG 73 Ca -0.06 0.10 -0.13 0.00 -0.01 0.00 0.00 57.85 57.75 1d8b n ARG 73 Cb 0.32 -1.50 -0.01 0.00 0.00 0.00 0.00 32.46 31.27 1d8b n ARG 73 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.63 178.37 1d8b h PHE 74 N 0.00 0.85 0.00 -1.55 0.04 -0.61 -2.84 116.94 112.83 1d8b h PHE 74 Ca 0.00 -0.35 -0.02 0.00 2.80 0.00 0.00 57.97 60.40 1d8b h PHE 74 Cb 0.33 -0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.34 1d8b h PHE 74 CO 0.00 1.14 -0.08 1.57 -0.60 0.00 0.00 178.31 180.34 1d8b h LYS 75 N 0.46 0.00 -0.01 1.51 2.10 -1.32 -1.25 116.57 118.06 1d8b h LYS 75 Ca -0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1d8b h LYS 75 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1d8b h LYS 75 CO 0.13 0.08 -0.22 0.66 -2.00 0.00 0.00 179.45 178.10 1d8b n TYR 76 N -3.29 0.00 0.23 0.07 4.01 -1.09 -3.89 117.16 113.19 1d8b n TYR 76 Ca -0.01 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.77 1d8b n TYR 76 Cb 0.28 -0.12 -0.05 0.00 -0.31 0.00 0.00 39.34 39.15 1d8b n TYR 76 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1d8b n PHE 77 N -0.61 0.00 -0.00 -0.72 3.72 -0.57 -4.69 117.46 114.59 1d8b n PHE 77 Ca 0.13 0.00 0.21 0.00 -0.05 0.00 0.00 57.45 57.74 1d8b n PHE 77 Cb 0.34 -0.07 0.71 0.00 -0.94 0.00 0.00 39.48 39.52 1d8b n PHE 77 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1d8b h LYS 78 N 0.00 0.00 0.06 -1.08 3.64 -1.40 0.29 116.57 118.08 1d8b h LYS 78 Ca 0.00 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.14 1d8b h LYS 78 Cb 0.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1d8b h LYS 78 CO 0.00 0.00 -1.07 0.00 -2.27 0.00 0.00 179.45 176.11 1d8b h ALA 79 N 1.69 0.27 0.02 5.00 0.00 -1.84 -2.67 119.26 121.72 1d8b h ALA 79 Ca 0.26 -0.79 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 1d8b h ALA 79 Cb 1.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1d8b h ALA 79 CO -0.00 0.91 -0.14 1.15 0.00 0.00 0.00 179.25 181.16 1d8b h THR 80 N 0.14 1.70 -0.91 0.00 2.02 -1.55 -2.31 112.91 112.00 1d8b h THR 80 Ca -0.10 -2.25 0.07 0.00 0.77 0.00 0.00 66.41 64.91 1d8b h THR 80 Cb 1.74 3.21 -0.06 0.00 -1.74 0.00 0.00 68.15 71.31 1d8b h THR 80 CO 0.18 0.60 0.59 0.40 0.37 0.00 0.00 175.52 177.65 1d8b h ILE 81 N -0.82 1.05 -0.11 3.11 2.04 -0.60 0.30 117.51 122.49 1d8b h ILE 81 Ca -0.02 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.43 1d8b h ILE 81 Cb 1.06 -0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1d8b h ILE 81 CO 0.03 0.19 -0.13 0.00 0.00 0.00 0.00 178.15 178.23 1d8b h ALA 82 N 1.51 0.17 -0.69 1.87 0.00 -1.57 -3.02 119.26 117.53 1d8b h ALA 82 Ca 0.40 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1d8b h ALA 82 Cb 0.23 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1d8b h ALA 82 CO -0.15 0.04 0.40 0.22 0.00 0.00 0.00 179.25 179.76 1d8b h ASP 83 N -0.12 0.85 -0.02 0.00 3.58 -0.79 -2.05 116.42 117.87 1d8b h ASP 83 Ca 0.02 -0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.39 1d8b h ASP 83 Cb 0.67 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.51 1d8b h ASP 83 CO 0.03 0.68 0.01 -0.07 -2.88 0.00 0.00 179.24 177.01 1d8b h LEU 84 N 0.95 0.00 -0.12 2.28 3.38 -0.45 0.32 115.31 121.66 1d8b h LEU 84 Ca 0.25 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.04 1d8b h LEU 84 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1d8b h LEU 84 CO -0.04 0.00 -0.85 -1.28 0.09 0.00 0.00 178.44 176.35 1d8b h SER 85 N 0.00 0.00 -0.28 -0.43 0.87 -1.26 -1.98 113.55 110.47 1d8b h SER 85 Ca 0.01 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.45 1d8b h SER 85 Cb 0.04 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1d8b h SER 85 CO -0.00 0.85 -0.28 0.11 -0.53 0.00 0.00 176.83 176.98 1d8b h LYS 86 N 0.00 0.68 0.00 2.24 1.57 -0.38 -2.85 116.57 117.82 1d8b h LYS 86 Ca -0.01 -0.36 -0.08 0.00 -1.87 0.00 0.00 60.65 58.34 1d8b h LYS 86 Cb 1.60 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.91 1d8b h LYS 86 CO 0.11 0.97 -0.37 0.87 -0.57 0.00 0.00 179.45 180.46 1d8b h LYS 87 N 0.41 0.00 -1.99 3.15 1.57 -1.11 -3.17 116.57 115.43 1d8b h LYS 87 Ca 0.04 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.67 1d8b h LYS 87 Cb 0.85 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.10 1d8b h LYS 87 CO 0.07 0.37 -0.22 -2.13 -0.57 0.00 0.00 179.45 176.97 1d8b n ARG 88 N -3.64 1.72 0.14 3.15 0.63 -0.75 -4.26 116.66 113.66 1d8b n ARG 88 Ca -0.01 -0.79 0.01 0.00 -0.92 0.00 0.00 57.85 56.14 1d8b n ARG 88 Cb 0.48 -1.71 0.17 0.00 0.45 0.00 0.00 32.46 31.85 1d8b n ARG 88 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 1d8b h SER 89 N 2.38 0.00 -1.32 6.15 0.02 -1.69 -3.47 113.55 115.61 1d8b h SER 89 Ca 0.15 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.85 1d8b h SER 89 Cb 1.31 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.81 1d8b h SER 89 CO 0.21 0.57 -0.28 -1.20 -1.14 0.00 0.00 176.83 174.99 1d8b n SER 90 N -3.57 -4.06 0.00 3.07 7.64 -1.26 -5.18 113.62 110.26 1d8b n SER 90 Ca -0.00 0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1d8b n SER 90 Cb 0.64 -3.05 0.00 0.00 -1.01 0.00 0.00 64.21 60.79 1d8b n SER 90 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19