#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 0.91 -0.04 -4.62 4.77 -1.26 -4.27 117.00 112.49 1d8b n LEU 12 Ca 0.00 -0.85 -0.15 0.00 -0.03 0.00 0.00 56.01 54.98 1d8b n LEU 12 Cb 0.00 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 40.97 1d8b n LEU 12 CO 0.00 0.21 0.41 -1.13 -1.33 0.00 0.00 177.39 175.55 1d8b h ASN 13 N 0.41 0.12 1.41 -1.43 -1.24 -1.98 -2.99 115.58 109.88 1d8b h ASN 13 Ca 0.00 -0.82 -0.02 0.00 0.71 0.00 0.00 56.30 56.17 1d8b h ASN 13 Cb 0.11 -0.04 -0.00 0.00 0.73 0.00 0.00 38.32 39.11 1d8b h ASN 13 CO 0.00 0.93 -0.08 -1.13 -1.29 0.00 0.00 177.43 175.86 1d8b h ASN 14 N -0.67 0.00 -0.17 1.15 -0.73 -1.93 -2.74 115.58 110.49 1d8b h ASN 14 Ca -0.02 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.12 1d8b h ASN 14 Cb 0.96 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.54 1d8b h ASN 14 CO 0.03 0.08 0.02 0.25 -0.37 0.00 0.00 177.43 177.44 1d8b h LEU 15 N 0.00 0.36 -0.75 0.34 6.46 -1.73 0.54 115.31 120.53 1d8b h LEU 15 Ca -0.00 -0.05 -0.10 0.00 -0.12 0.00 0.00 57.88 57.61 1d8b h LEU 15 Cb 0.81 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.63 1d8b h LEU 15 CO 0.01 0.40 -0.08 -0.09 -0.62 0.00 0.00 178.44 178.07 1d8b h ARG 16 N 0.38 0.87 -0.34 1.25 2.43 -1.33 -1.51 114.38 116.14 1d8b h ARG 16 Ca 0.09 -0.29 -0.11 0.00 -0.81 0.00 0.00 59.98 58.86 1d8b h ARG 16 Cb 0.22 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 1d8b h ARG 16 CO 0.00 0.92 -0.26 1.98 -1.51 0.00 0.00 179.97 181.10 1d8b h MET 17 N 0.79 0.68 0.21 0.20 4.05 -1.19 0.15 114.93 119.82 1d8b h MET 17 Ca 0.13 -0.28 -0.00 0.00 -0.28 0.00 0.00 59.70 59.27 1d8b h MET 17 Cb 0.58 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.35 1d8b h MET 17 CO 0.04 0.87 -0.15 1.15 0.23 0.00 0.00 176.91 179.05 1d8b h THR 18 N 0.59 0.68 -0.79 -0.77 2.02 -0.44 0.41 112.91 114.60 1d8b h THR 18 Ca 0.08 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.21 1d8b h THR 18 Cb 0.75 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 1d8b h THR 18 CO 0.06 0.00 0.30 0.22 0.37 0.00 0.00 175.52 176.47 1d8b h TYR 19 N -0.36 1.21 -0.25 3.16 3.20 -1.16 -1.73 116.97 121.05 1d8b h TYR 19 Ca -0.01 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.75 1d8b h TYR 19 Cb 0.32 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 1d8b h TYR 19 CO -0.10 0.93 0.12 0.93 -1.64 0.00 0.00 178.16 178.39 1d8b h GLU 20 N 1.15 0.36 -0.22 1.82 5.08 -0.27 -1.85 114.58 120.65 1d8b h GLU 20 Ca 0.26 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.52 1d8b h GLU 20 Cb 0.24 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1d8b h GLU 20 CO -0.02 0.37 -0.08 -0.09 -1.00 0.00 0.00 179.01 178.19 1d8b h ARG 21 N 0.26 0.35 -0.37 2.33 9.65 -0.03 0.07 114.38 126.64 1d8b h ARG 21 Ca 0.08 -0.08 -0.10 0.00 -1.10 0.00 0.00 59.98 58.79 1d8b h ARG 21 Cb 0.13 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.64 1d8b h ARG 21 CO -0.01 0.44 -0.17 -0.07 2.80 0.00 0.00 179.97 182.96 1d8b h LEU 22 N 0.33 0.68 -0.02 3.80 3.38 -0.96 0.34 115.31 122.86 1d8b h LEU 22 Ca 0.07 -0.22 -0.26 0.00 0.09 0.00 0.00 57.88 57.56 1d8b h LEU 22 Cb 0.35 -0.19 0.02 0.00 0.09 0.00 0.00 40.66 40.93 1d8b h LEU 22 CO 0.02 0.86 -1.06 -0.09 0.09 0.00 0.00 178.44 178.26 1d8b h ARG 23 N 0.61 0.60 -0.37 1.13 9.65 -0.67 0.79 114.38 126.13 1d8b h ARG 23 Ca 0.10 -0.68 -0.06 0.00 -1.10 0.00 0.00 59.98 58.24 1d8b h ARG 23 Cb 0.64 0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 29.40 1d8b h ARG 23 CO 0.04 1.27 -0.02 1.49 2.80 0.00 0.00 179.97 185.56 1d8b h GLU 24 N 0.32 0.58 0.02 0.20 4.57 -0.83 -0.93 114.58 118.51 1d8b h GLU 24 Ca -0.13 -0.14 -0.23 0.00 -1.18 0.00 0.00 59.36 57.68 1d8b h GLU 24 Cb 1.72 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 30.23 1d8b h GLU 24 CO 0.20 0.62 -0.99 1.25 -1.18 0.00 0.00 179.01 178.91 1d8b h LEU 25 N 0.55 0.51 -1.04 1.64 6.46 -0.87 -2.37 115.31 120.19 1d8b h LEU 25 Ca 0.11 -0.43 -0.05 0.00 -0.12 0.00 0.00 57.88 57.39 1d8b h LEU 25 Cb 0.38 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.13 1d8b h LEU 25 CO 0.02 1.24 0.12 -1.28 -0.62 0.00 0.00 178.44 177.92 1d8b h SER 26 N 0.20 0.75 0.74 1.25 0.87 -0.15 0.27 113.55 117.48 1d8b h SER 26 Ca -0.09 -0.14 -0.26 0.00 -1.23 0.00 0.00 61.79 60.08 1d8b h SER 26 Cb 1.64 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 63.39 1d8b h SER 26 CO 0.17 0.75 -1.20 -0.07 -0.53 0.00 0.00 176.83 175.94 1d8b h LEU 27 N 0.78 0.25 0.08 2.23 4.07 -1.21 -1.04 115.31 120.47 1d8b h LEU 27 Ca 0.17 -0.28 -0.00 0.00 0.08 0.00 0.00 57.88 57.84 1d8b h LEU 27 Cb 0.30 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.96 1d8b h LEU 27 CO -0.00 1.23 -0.04 -1.13 -1.08 0.00 0.00 178.44 177.41 1d8b h ASN 28 N 0.04 -0.10 -0.66 -0.43 -0.73 -1.15 -1.62 115.58 110.93 1d8b h ASN 28 Ca -0.11 -0.47 -0.08 0.00 1.87 0.00 0.00 56.30 57.51 1d8b h ASN 28 Cb 1.91 0.02 -0.03 0.00 0.27 0.00 0.00 38.32 40.50 1d8b h ASN 28 CO 0.17 0.46 0.09 -0.07 -0.37 0.00 0.00 177.43 177.71 1d8b h LEU 29 N -0.70 1.07 -0.62 0.34 3.38 -0.60 -2.18 115.31 116.00 1d8b h LEU 29 Ca -0.01 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1d8b h LEU 29 Cb 0.56 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1d8b h LEU 29 CO 0.02 1.07 0.38 1.23 0.09 0.00 0.00 178.44 181.22 1d8b h GLY 30 N 1.03 0.90 2.00 0.83 0.00 -1.23 -1.48 103.07 105.12 1d8b h GLY 30 Ca 0.20 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1d8b h GLY 30 CO 0.02 0.36 0.00 -0.57 0.00 0.00 0.00 176.54 176.34 1d8b h ASN 31 N 0.84 0.00 0.30 0.19 -1.24 -1.10 0.93 115.58 115.50 1d8b h ASN 31 Ca 0.22 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.23 1d8b h ASN 31 Cb -0.03 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.02 1d8b h ASN 31 CO -0.04 0.00 -0.19 -1.14 -1.29 0.00 0.00 177.43 174.77 1d8b n ARG 32 N -2.53 0.76 -4.09 6.67 0.63 -0.60 -4.76 116.66 112.74 1d8b n ARG 32 Ca 0.02 -0.37 -0.22 0.00 -0.92 0.00 0.00 57.85 56.36 1d8b n ARG 32 Cb 0.30 -1.49 -0.04 0.00 0.45 0.00 0.00 32.46 31.67 1d8b n ARG 32 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 1d8b s MET 33 N -2.50 3.02 -0.15 -0.14 -1.94 -0.69 -5.05 119.30 111.84 1d8b s MET 33 Ca 0.26 -1.00 0.00 0.00 -1.71 0.00 0.00 55.69 53.25 1d8b s MET 33 Cb 0.20 -2.62 0.03 0.00 2.01 0.00 0.00 34.83 34.44 1d8b s MET 33 CO 0.50 0.41 -0.11 0.08 -0.01 0.00 0.00 175.02 175.89 1d8b s VAL 34 N -2.09 1.45 0.50 -6.03 1.01 -1.26 -1.68 120.40 112.30 1d8b s VAL 34 Ca 0.33 -0.65 -0.18 0.00 0.00 0.00 0.00 61.98 61.48 1d8b s VAL 34 Cb -0.08 -1.43 -0.08 0.00 0.00 0.00 0.00 36.38 34.78 1d8b s VAL 34 CO 0.26 0.35 0.99 -2.16 0.00 0.00 0.00 175.10 174.54 1d8b s PRO 35 N 1.52 3.91 0.03 2.72 0.04 -1.26 -5.08 135.00 136.88 1d8b s PRO 35 Ca 0.03 1.09 -0.36 0.00 0.04 0.00 0.00 61.00 61.80 1d8b s PRO 35 Cb -0.14 -2.13 -0.15 0.00 0.04 0.00 0.00 34.50 32.13 1d8b s PRO 35 CO -0.10 -0.31 1.53 -2.30 0.04 0.00 0.00 177.00 175.87 1d8b n PRO 36 N -1.32 1.56 -3.53 0.56 -0.02 -0.67 -4.94 135.00 126.65 1d8b n PRO 36 Ca 0.07 0.56 -0.42 0.00 -2.02 0.00 0.00 63.50 61.70 1d8b n PRO 36 Cb 0.54 -2.27 -0.09 0.00 -0.02 0.00 0.00 33.50 31.66 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 1.49 4.47 0.31 -1.45 1.01 0.24 -4.88 120.40 121.58 1d8b s VAL 37 Ca 0.86 -1.49 0.07 0.00 0.00 0.00 0.00 61.98 61.43 1d8b s VAL 37 Cb -0.86 -3.81 0.06 0.00 0.00 0.00 0.00 36.38 31.77 1d8b s VAL 37 CO 0.48 -0.64 1.73 1.23 0.00 0.00 0.00 175.10 177.90 1d8b h GLY 38 N 8.52 0.25 -6.42 4.51 0.00 -1.86 -3.14 103.07 104.93 1d8b h GLY 38 Ca -0.24 -0.22 -0.75 0.00 0.00 0.00 0.00 47.33 46.12 1d8b h GLY 38 CO 0.84 0.20 0.45 -2.01 0.00 0.00 0.00 176.54 176.02 1d8b n ASN 39 N -4.06 5.99 -0.25 0.19 2.85 -1.26 -4.55 115.26 114.17 1d8b n ASN 39 Ca -0.01 -3.53 -0.06 0.00 -0.11 0.00 0.00 54.58 50.87 1d8b n ASN 39 Cb 0.45 -1.05 0.05 0.00 1.24 0.00 0.00 39.78 40.47 1d8b n ASN 39 CO 0.00 0.00 0.00 0.15 -2.11 0.00 0.00 177.26 175.30 1d8b h PHE 40 N 4.59 0.93 -3.57 1.20 3.57 -1.72 -3.41 116.94 118.54 1d8b h PHE 40 Ca 0.28 -0.01 -0.43 0.00 3.53 0.00 0.00 57.97 61.34 1d8b h PHE 40 Cb 0.53 -0.30 -0.33 0.00 2.79 0.00 0.00 35.95 38.64 1d8b h PHE 40 CO 1.03 0.64 -0.79 1.41 -2.23 0.00 0.00 178.31 178.38 1d8b s MET 41 N -5.94 1.05 0.34 1.11 1.75 -1.26 -5.05 119.30 111.31 1d8b s MET 41 Ca -0.13 -0.23 -0.27 0.00 -1.25 0.00 0.00 55.69 53.80 1d8b s MET 41 Cb 0.14 -0.96 -0.12 0.00 2.84 0.00 0.00 34.83 36.72 1d8b s MET 41 CO 0.78 0.01 1.19 -2.30 -0.65 0.00 0.00 175.02 174.05 1d8b n PRO 42 N 3.73 1.84 -0.27 4.11 -0.02 -1.26 -4.77 135.00 138.36 1d8b n PRO 42 Ca -0.23 0.65 0.06 0.00 -2.02 0.00 0.00 63.50 61.96 1d8b n PRO 42 Cb 0.52 -2.18 0.20 0.00 -0.02 0.00 0.00 33.50 32.03 1d8b n PRO 42 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1d8b h ASP 43 N 2.27 0.37 -0.13 2.55 1.82 -1.99 0.47 116.42 121.79 1d8b h ASP 43 Ca -0.44 0.10 -0.01 0.00 -0.39 0.00 0.00 57.03 56.29 1d8b h ASP 43 Cb 1.30 0.06 -0.01 0.00 0.68 0.00 0.00 39.33 41.37 1d8b h ASP 43 CO 0.61 0.14 0.02 0.77 -1.61 0.00 0.00 179.24 179.18 1d8b h SER 44 N 0.51 0.20 -0.48 2.28 4.64 -2.00 -2.43 113.55 116.27 1d8b h SER 44 Ca 0.43 -0.25 -0.04 0.00 -0.47 0.00 0.00 61.79 61.46 1d8b h SER 44 Cb 0.65 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.66 1d8b h SER 44 CO -0.39 0.40 0.15 0.40 -0.87 0.00 0.00 176.83 176.52 1d8b h ILE 45 N -0.00 1.22 -0.66 0.95 1.08 -1.72 -2.43 117.51 115.94 1d8b h ILE 45 Ca 0.04 -0.75 -0.05 0.00 -0.39 0.00 0.00 64.86 63.70 1d8b h ILE 45 Cb 0.28 0.65 -0.03 0.00 -3.07 0.00 0.00 36.82 34.65 1d8b h ILE 45 CO 0.00 0.28 0.19 -0.07 -0.69 0.00 0.00 178.15 177.87 1d8b h LEU 46 N 0.78 0.95 -0.20 1.44 3.38 -0.82 -1.80 115.31 119.04 1d8b h LEU 46 Ca 0.18 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1d8b h LEU 46 Cb 0.25 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1d8b h LEU 46 CO -0.01 0.89 -0.04 0.11 0.09 0.00 0.00 178.44 179.49 1d8b h LYS 47 N 0.98 0.38 -0.37 1.13 1.57 -0.96 -1.56 116.57 117.74 1d8b h LYS 47 Ca 0.21 -0.14 -0.16 0.00 -1.87 0.00 0.00 60.65 58.69 1d8b h LYS 47 Cb 0.30 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1d8b h LYS 47 CO -0.01 0.62 -0.41 1.57 -0.57 0.00 0.00 179.45 180.66 1d8b h LYS 48 N 0.10 0.92 -0.13 3.15 2.10 -1.43 -1.94 116.57 119.34 1d8b h LYS 48 Ca 0.05 -0.49 -0.07 0.00 -2.00 0.00 0.00 60.65 58.14 1d8b h LYS 48 Cb 0.48 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.82 1d8b h LYS 48 CO 0.02 1.15 -0.24 0.00 -2.00 0.00 0.00 179.45 178.37 1d8b h MET 49 N 0.74 0.22 0.00 0.07 -0.00 -1.35 -1.46 114.93 113.15 1d8b h MET 49 Ca 0.05 -0.07 -0.15 0.00 -0.00 0.00 0.00 59.70 59.53 1d8b h MET 49 Cb 1.00 -0.02 -0.02 0.00 -0.00 0.00 0.00 31.60 32.56 1d8b h MET 49 CO 0.10 0.46 -0.73 0.00 -0.00 0.00 0.00 176.91 176.74 1d8b h ALA 50 N 1.55 0.63 0.09 -3.00 0.00 -1.14 0.21 119.26 117.61 1d8b h ALA 50 Ca 0.03 -0.66 -0.27 0.00 0.00 0.00 0.00 54.91 54.01 1d8b h ALA 50 Cb 0.54 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.23 1d8b h ALA 50 CO 0.04 0.91 -1.15 0.00 0.00 0.00 0.00 179.25 179.05 1d8b h ALA 51 N 1.27 0.15 0.01 0.00 0.00 -0.84 -3.37 119.26 116.49 1d8b h ALA 51 Ca -0.01 -0.79 -0.37 0.00 0.00 0.00 0.00 54.91 53.75 1d8b h ALA 51 Cb 1.43 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.20 1d8b h ALA 51 CO 0.09 0.83 -2.30 -0.89 0.00 0.00 0.00 179.25 176.98 1d8b n ILE 52 N -3.69 1.49 -2.97 0.00 -0.00 -0.60 -5.06 119.36 108.54 1d8b n ILE 52 Ca -0.10 -0.73 -0.06 0.00 -0.00 0.00 0.00 62.75 61.87 1d8b n ILE 52 Cb 0.95 -1.00 0.01 0.00 -0.00 0.00 0.00 39.64 39.59 1d8b n ILE 52 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 1d8b n LEU 53 N -3.04 -7.22 -4.58 1.39 4.77 0.74 -4.90 117.00 104.16 1d8b n LEU 53 Ca -0.36 0.24 -0.42 0.00 -0.03 0.00 0.00 56.01 55.45 1d8b n LEU 53 Cb 1.08 -3.28 -0.02 0.00 -2.33 0.00 0.00 43.42 38.86 1d8b n LEU 53 CO 0.37 -1.74 1.22 -2.84 -1.33 0.00 0.00 177.39 173.07 1d8b s PRO 54 N -2.81 3.39 0.06 3.23 0.02 -1.26 -4.85 135.00 132.78 1d8b s PRO 54 Ca 0.15 0.52 0.26 0.00 0.02 0.00 0.00 61.00 61.95 1d8b s PRO 54 Cb -0.04 -4.09 0.79 0.00 0.02 0.00 0.00 34.50 31.19 1d8b s PRO 54 CO 0.77 -1.82 1.65 -1.33 -0.33 0.00 0.00 177.00 175.93 1d8b n MET 55 N 8.50 0.10 -4.30 5.54 2.81 -1.26 -4.81 117.12 123.70 1d8b n MET 55 Ca 0.13 0.05 -0.20 0.00 -1.81 0.00 0.00 57.70 55.87 1d8b n MET 55 Cb 0.49 -1.59 -0.11 0.00 -0.71 0.00 0.00 33.22 31.30 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 -3.50 2.44 0.41 7.83 3.84 -1.26 -4.96 114.94 119.74 1d8b s ASN 56 Ca 0.11 -0.85 0.18 0.00 0.21 0.00 0.00 52.86 52.51 1d8b s ASN 56 Cb 0.16 -0.13 0.89 0.00 -0.55 0.00 0.00 41.25 41.63 1d8b s ASN 56 CO 0.62 -0.08 1.86 -0.78 -2.79 0.00 0.00 177.10 175.94 1d8b h ASP 57 N 3.31 0.00 0.31 -4.21 3.58 -2.01 -2.55 116.42 114.85 1d8b h ASP 57 Ca -0.41 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 56.96 1d8b h ASP 57 Cb 1.20 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.24 1d8b h ASP 57 CO 0.51 0.31 -0.35 0.28 -2.88 0.00 0.00 179.24 177.11 1d8b h SER 58 N 0.00 0.07 0.94 2.28 0.02 -1.98 -2.14 113.55 112.73 1d8b h SER 58 Ca -0.00 -0.02 -0.09 0.00 -0.84 0.00 0.00 61.79 60.83 1d8b h SER 58 Cb 0.64 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 1d8b h SER 58 CO 0.04 0.42 -0.43 0.00 -1.14 0.00 0.00 176.83 175.71 1d8b h ALA 59 N 1.59 0.92 0.00 3.77 0.00 -1.85 -3.10 119.26 120.59 1d8b h ALA 59 Ca 0.01 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1d8b h ALA 59 Cb 0.65 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1d8b h ALA 59 CO 0.05 0.54 -0.01 0.74 0.00 0.00 0.00 179.25 180.57 1d8b h PHE 60 N 0.00 0.00 0.00 0.00 0.04 -1.31 -1.86 116.94 113.82 1d8b h PHE 60 Ca -0.00 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.72 1d8b h PHE 60 Cb 1.02 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.16 1d8b h PHE 60 CO 0.00 0.01 -0.23 0.00 -0.60 0.00 0.00 178.31 177.49 1d8b h ALA 61 N 1.99 1.23 -0.00 2.45 0.00 -1.62 -2.41 119.26 120.90 1d8b h ALA 61 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1d8b h ALA 61 Cb 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1d8b h ALA 61 CO 0.00 0.29 -0.12 0.25 0.00 0.00 0.00 179.25 179.67 1d8b n THR 62 N -3.69 0.00 -0.06 0.00 -2.24 -0.70 -2.73 114.28 104.86 1d8b n THR 62 Ca -0.01 -0.02 -0.04 0.00 -2.27 0.00 0.00 64.05 61.71 1d8b n THR 62 Cb 0.35 -0.24 0.18 0.00 -2.10 0.00 0.00 70.33 68.51 1d8b n THR 62 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1d8b h LEU 63 N 0.20 0.66 0.00 3.22 3.38 -1.50 -3.45 115.31 117.82 1d8b h LEU 63 Ca 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1d8b h LEU 63 Cb 0.41 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1d8b h LEU 63 CO 0.00 0.79 0.00 0.61 0.09 0.00 0.00 178.44 179.93 1d8b n GLY 64 N -0.56 0.00 3.29 0.83 0.00 -1.22 -4.98 105.19 102.56 1d8b n GLY 64 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 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 -6.79 -2.36 2.61 -2.24 -1.10 -4.92 114.28 99.48 1d8b n THR 65 Ca 0.00 0.31 -0.40 0.00 -2.27 0.00 0.00 64.05 61.68 1d8b n THR 65 Cb 0.00 -5.02 -0.04 0.00 -2.10 0.00 0.00 70.33 63.18 1d8b n THR 65 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1d8b s VAL 66 N -2.18 3.25 0.75 2.28 -7.23 -1.26 -5.01 120.40 111.00 1d8b s VAL 66 Ca 0.26 1.26 -0.13 0.00 -1.81 0.00 0.00 61.98 61.55 1d8b s VAL 66 Cb -0.04 -3.80 0.05 0.00 0.56 0.00 0.00 36.38 33.15 1d8b s VAL 66 CO 0.83 0.30 1.13 -1.61 -0.31 0.00 0.00 175.10 175.44 1d8b s GLU 67 N -1.54 2.23 0.36 4.82 2.02 -1.26 -4.86 118.70 120.47 1d8b s GLU 67 Ca 0.46 1.41 0.03 0.00 0.02 0.00 0.00 54.97 56.89 1d8b s GLU 67 Cb -0.34 -1.88 0.67 0.00 0.10 0.00 0.00 34.13 32.68 1d8b s GLU 67 CO 0.45 -1.69 2.02 0.22 0.02 0.00 0.00 175.26 176.27 1d8b h ASP 68 N -0.69 0.69 0.37 -0.19 1.82 -1.99 -0.81 116.42 115.61 1d8b h ASP 68 Ca -0.45 -0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 56.14 1d8b h ASP 68 Cb 1.25 -0.17 -0.00 0.00 0.68 0.00 0.00 39.33 41.09 1d8b h ASP 68 CO 0.50 0.50 -0.16 0.07 -1.61 0.00 0.00 179.24 178.55 1d8b h LYS 69 N 0.81 0.00 0.01 0.28 -0.00 -2.01 -1.46 116.57 114.21 1d8b h LYS 69 Ca 0.22 0.00 -0.20 0.00 -0.00 0.00 0.00 60.65 60.67 1d8b h LYS 69 Cb -0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.13 1d8b h LYS 69 CO -0.05 0.16 -0.91 1.88 -0.00 0.00 0.00 179.45 180.53 1d8b h TYR 70 N 0.00 0.31 -0.06 0.07 -1.99 -1.51 -3.00 116.97 110.79 1d8b h TYR 70 Ca -0.00 -0.18 -0.08 0.00 2.00 0.00 0.00 58.73 60.47 1d8b h TYR 70 Cb 0.38 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 39.07 1d8b h TYR 70 CO 0.00 1.01 -0.34 0.00 -0.00 0.00 0.00 178.16 178.83 1d8b h ARG 71 N 0.11 0.12 -0.14 4.88 3.08 -0.85 -2.00 114.38 119.58 1d8b h ARG 71 Ca -0.05 -0.05 0.05 0.00 0.07 0.00 0.00 59.98 60.00 1d8b h ARG 71 Cb 1.55 -0.01 -0.07 0.00 0.08 0.00 0.00 29.97 31.53 1d8b h ARG 71 CO 0.14 0.45 -0.39 0.00 -1.07 0.00 0.00 179.97 179.10 1d8b h ARG 72 N 0.11 -0.44 -0.01 0.04 2.47 -1.19 -0.84 114.38 114.52 1d8b h ARG 72 Ca 0.01 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.76 1d8b h ARG 72 Cb 0.65 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.07 1d8b h ARG 72 CO 0.05 -0.29 -0.14 2.89 0.56 0.00 0.00 179.97 183.04 1d8b n ARG 73 N -5.43 1.06 -0.05 0.04 0.00 -1.21 -3.73 116.66 107.34 1d8b n ARG 73 Ca -0.04 -0.55 -0.01 0.00 -0.00 0.00 0.00 57.85 57.25 1d8b n ARG 73 Cb 0.35 -1.49 0.27 0.00 -0.00 0.00 0.00 32.46 31.60 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 1.35 0.65 0.00 2.89 0.04 -0.36 -1.84 116.94 119.67 1d8b h PHE 74 Ca 0.00 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 1d8b h PHE 74 Cb 0.45 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.41 1d8b h PHE 74 CO 0.00 0.57 -0.03 1.57 -0.60 0.00 0.00 178.31 179.83 1d8b h LYS 75 N 0.61 0.00 0.00 1.51 2.10 -1.61 0.13 116.57 119.32 1d8b h LYS 75 Ca 0.14 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.79 1d8b h LYS 75 Cb 0.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.60 1d8b h LYS 75 CO 0.00 0.03 0.00 0.66 -2.00 0.00 0.00 179.45 178.14 1d8b n TYR 76 N -3.76 0.00 0.17 0.07 4.01 -0.69 -2.96 117.16 114.00 1d8b n TYR 76 Ca -0.03 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.78 1d8b n TYR 76 Cb 0.11 -0.47 -0.09 0.00 -0.31 0.00 0.00 39.34 38.59 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 -1.47 0.00 -0.30 -0.72 3.72 -0.03 -4.63 117.46 114.03 1d8b n PHE 77 Ca 0.07 0.00 0.24 0.00 -0.05 0.00 0.00 57.45 57.72 1d8b n PHE 77 Cb 0.30 -0.20 0.56 0.00 -0.94 0.00 0.00 39.48 39.19 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 0.30 -0.16 -1.08 1.63 -1.26 0.16 116.57 116.15 1d8b h LYS 78 Ca 0.00 -0.02 -0.17 0.00 -0.85 0.00 0.00 60.65 59.61 1d8b h LYS 78 Cb 0.50 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.06 1d8b h LYS 78 CO 0.00 0.20 -0.61 0.00 -3.45 0.00 0.00 179.45 175.58 1d8b h ALA 79 N 1.58 0.63 0.06 5.00 0.00 -1.82 -2.73 119.26 121.98 1d8b h ALA 79 Ca 0.55 -0.54 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 1d8b h ALA 79 Cb 1.58 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 19.32 1d8b h ALA 79 CO -0.21 0.70 -0.81 1.15 0.00 0.00 0.00 179.25 180.09 1d8b h THR 80 N 0.42 1.42 -0.42 0.00 2.02 -1.30 -2.87 112.91 112.17 1d8b h THR 80 Ca -0.01 -2.29 0.01 0.00 0.77 0.00 0.00 66.41 64.89 1d8b h THR 80 Cb 1.17 2.78 -0.02 0.00 -1.74 0.00 0.00 68.15 70.34 1d8b h THR 80 CO 0.11 0.67 0.28 0.40 0.37 0.00 0.00 175.52 177.35 1d8b h ILE 81 N -0.08 1.10 0.00 3.11 2.04 -0.84 0.24 117.51 123.07 1d8b h ILE 81 Ca -0.12 -0.19 -0.12 0.00 1.00 0.00 0.00 64.86 65.43 1d8b h ILE 81 Cb 1.54 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 1d8b h ILE 81 CO 0.16 0.10 -0.55 0.00 0.00 0.00 0.00 178.15 177.85 1d8b h ALA 82 N 1.74 0.80 0.07 1.87 0.00 -1.54 -2.99 119.26 119.21 1d8b h ALA 82 Ca 0.15 -0.50 -0.15 0.00 0.00 0.00 0.00 54.91 54.41 1d8b h ALA 82 Cb -0.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1d8b h ALA 82 CO -0.03 0.69 -0.72 0.22 0.00 0.00 0.00 179.25 179.41 1d8b h ASP 83 N 0.00 0.23 0.12 0.00 3.58 -0.92 -3.34 116.42 116.08 1d8b h ASP 83 Ca -0.01 -0.89 -0.02 0.00 0.42 0.00 0.00 57.03 56.54 1d8b h ASP 83 Cb 1.20 -0.07 -0.00 0.00 1.72 0.00 0.00 39.33 42.17 1d8b h ASP 83 CO 0.07 1.32 -0.09 -0.07 -2.88 0.00 0.00 179.24 177.60 1d8b h LEU 84 N -0.66 0.00 -1.16 2.28 3.38 -0.68 -1.90 115.31 116.57 1d8b h LEU 84 Ca -0.16 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 1d8b h LEU 84 Cb 1.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 1d8b h LEU 84 CO 0.03 0.09 -0.37 0.77 0.09 0.00 0.00 178.44 179.05 1d8b h SER 85 N 0.00 0.00 0.14 -0.43 4.64 -1.65 0.17 113.55 116.41 1d8b h SER 85 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1d8b h SER 85 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 1d8b h SER 85 CO 0.01 0.37 -0.20 0.29 -0.87 0.00 0.00 176.83 176.43 1d8b n LYS 86 N -3.75 1.15 -0.05 4.77 5.02 -0.73 -3.64 118.16 120.93 1d8b n LYS 86 Ca -0.01 -0.72 -0.05 0.00 -2.02 0.00 0.00 58.31 55.51 1d8b n LYS 86 Cb 0.45 -1.49 -0.08 0.00 -0.02 0.00 0.00 35.03 33.90 1d8b n LYS 86 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1d8b n LYS 87 N -0.29 2.25 0.00 1.97 4.76 -0.96 -4.49 118.16 121.40 1d8b n LYS 87 Ca 0.14 -0.00 0.15 0.00 -2.87 0.00 0.00 58.31 55.73 1d8b n LYS 87 Cb 0.37 -1.25 0.75 0.00 -1.84 0.00 0.00 35.03 33.06 1d8b n LYS 87 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1d8b n ARG 88 N -2.40 1.01 0.07 1.97 0.63 0.54 -3.47 116.66 115.02 1d8b n ARG 88 Ca -0.17 -0.27 -0.11 0.00 -0.92 0.00 0.00 57.85 56.39 1d8b n ARG 88 Cb 0.82 -1.49 -0.01 0.00 0.45 0.00 0.00 32.46 32.22 1d8b n ARG 88 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1d8b h SER 89 N 0.66 0.41 -3.26 6.15 4.64 -1.78 -3.41 113.55 116.96 1d8b h SER 89 Ca 0.00 -0.32 -0.74 0.00 -0.47 0.00 0.00 61.79 60.26 1d8b h SER 89 Cb 0.23 -0.13 -0.23 0.00 -0.31 0.00 0.00 62.40 61.97 1d8b h SER 89 CO 0.00 1.10 -0.29 -0.44 -0.87 0.00 0.00 176.83 176.33 1d8b s SER 90 N -7.00 6.16 0.00 4.97 0.01 -1.23 -5.09 113.70 111.52 1d8b s SER 90 Ca -0.05 -1.41 0.11 0.00 1.31 0.00 0.00 55.95 55.92 1d8b s SER 90 Cb 0.10 -2.19 0.09 0.00 0.21 0.00 0.00 66.02 64.22 1d8b s SER 90 CO 0.85 -0.70 0.86 1.21 0.41 0.00 0.00 173.24 175.86