#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 0.85 -2.46 -4.62 4.77 -1.26 -4.64 117.00 109.64 1d8b n LEU 12 Ca 0.00 -0.58 -0.25 0.00 -0.03 0.00 0.00 56.01 55.15 1d8b n LEU 12 Cb 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 1d8b n LEU 12 CO 0.00 0.19 1.68 -0.46 -1.33 0.00 0.00 177.39 177.46 1d8b n ASN 13 N -0.94 6.34 -0.08 -1.43 6.94 -1.26 -4.58 115.26 120.25 1d8b n ASN 13 Ca 0.03 -3.03 -0.10 0.00 -0.02 0.00 0.00 54.58 51.46 1d8b n ASN 13 Cb 0.22 -1.29 -0.03 0.00 -2.36 0.00 0.00 39.78 36.32 1d8b n ASN 13 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 1d8b h ASN 14 N 3.14 0.38 0.81 0.53 7.08 -1.92 0.20 115.58 125.79 1d8b h ASN 14 Ca 0.38 -0.17 -0.24 0.00 -3.08 0.00 0.00 56.30 53.18 1d8b h ASN 14 Cb 0.86 -0.10 -0.03 0.00 -2.08 0.00 0.00 38.32 36.97 1d8b h ASN 14 CO 0.79 0.45 -1.22 0.25 -2.08 0.00 0.00 177.43 175.62 1d8b h LEU 15 N 0.28 0.07 -0.81 6.14 6.46 -1.89 -3.27 115.31 122.30 1d8b h LEU 15 Ca 0.09 -0.09 -0.08 0.00 -0.12 0.00 0.00 57.88 57.68 1d8b h LEU 15 Cb 0.19 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.08 1d8b h LEU 15 CO -0.01 1.07 0.01 -0.09 -0.62 0.00 0.00 178.44 178.81 1d8b h ARG 16 N 0.01 0.91 -0.75 1.25 9.65 -1.84 -0.45 114.38 123.18 1d8b h ARG 16 Ca -0.10 -0.26 -0.01 0.00 -1.10 0.00 0.00 59.98 58.51 1d8b h ARG 16 Cb 1.86 -0.10 -0.04 0.00 -1.39 0.00 0.00 29.97 30.31 1d8b h ARG 16 CO 0.13 0.90 0.42 1.98 2.80 0.00 0.00 179.97 186.20 1d8b h MET 17 N 0.85 1.03 -0.11 0.20 4.05 -0.68 0.24 114.93 120.51 1d8b h MET 17 Ca 0.16 -0.11 -0.01 0.00 -0.28 0.00 0.00 59.70 59.46 1d8b h MET 17 Cb 0.48 -0.21 -0.00 0.00 -0.80 0.00 0.00 31.60 31.07 1d8b h MET 17 CO 0.02 0.76 0.04 1.15 0.23 0.00 0.00 176.91 179.11 1d8b h THR 18 N 1.03 1.15 -0.60 -0.77 2.02 -1.51 0.23 112.91 114.46 1d8b h THR 18 Ca 0.26 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 1d8b h THR 18 Cb 0.01 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.64 1d8b h THR 18 CO -0.04 0.13 0.30 0.22 0.37 0.00 0.00 175.52 176.50 1d8b h TYR 19 N 0.02 0.84 -0.36 3.16 3.20 -0.73 -0.27 116.97 122.83 1d8b h TYR 19 Ca 0.04 -0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.75 1d8b h TYR 19 Cb 0.17 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.17 1d8b h TYR 19 CO -0.01 0.63 -0.24 0.93 -1.64 0.00 0.00 178.16 177.82 1d8b h GLU 20 N 0.81 0.79 -0.64 1.82 3.07 -0.42 -1.43 114.58 118.58 1d8b h GLU 20 Ca 0.21 -0.38 -0.08 0.00 -0.50 0.00 0.00 59.36 58.61 1d8b h GLU 20 Cb 0.09 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 27.97 1d8b h GLU 20 CO -0.03 1.00 0.10 -0.09 -1.40 0.00 0.00 179.01 178.60 1d8b h ARG 21 N 0.58 1.07 -0.33 2.33 2.43 -0.37 -1.60 114.38 118.48 1d8b h ARG 21 Ca 0.07 -0.29 -0.12 0.00 -0.81 0.00 0.00 59.98 58.83 1d8b h ARG 21 Cb 0.81 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 1d8b h ARG 21 CO 0.07 0.99 -0.28 -0.07 -1.51 0.00 0.00 179.97 179.16 1d8b h LEU 22 N 0.98 0.71 -0.36 3.80 3.38 -1.01 -0.84 115.31 121.97 1d8b h LEU 22 Ca 0.20 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1d8b h LEU 22 Cb 0.44 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1d8b h LEU 22 CO 0.01 0.96 0.15 -0.09 0.09 0.00 0.00 178.44 179.56 1d8b h ARG 23 N 0.60 0.53 -0.23 1.13 2.43 -0.95 0.24 114.38 118.13 1d8b h ARG 23 Ca 0.07 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 1d8b h ARG 23 Cb 0.78 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 1d8b h ARG 23 CO 0.06 0.51 -0.30 1.49 -1.51 0.00 0.00 179.97 180.23 1d8b h GLU 24 N 0.43 0.47 -0.02 0.20 4.81 -1.17 -2.58 114.58 116.72 1d8b h GLU 24 Ca 0.12 -0.19 -0.17 0.00 -0.13 0.00 0.00 59.36 58.98 1d8b h GLU 24 Cb 0.18 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1d8b h GLU 24 CO -0.01 0.72 -0.76 1.25 -0.73 0.00 0.00 179.01 179.48 1d8b h LEU 25 N 0.41 0.19 -0.86 1.64 6.46 -0.80 -2.23 115.31 120.12 1d8b h LEU 25 Ca 0.05 -0.14 -0.09 0.00 -0.12 0.00 0.00 57.88 57.58 1d8b h LEU 25 Cb 0.73 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.58 1d8b h LEU 25 CO 0.06 0.88 -0.15 0.28 -0.62 0.00 0.00 178.44 178.88 1d8b h SER 26 N 0.10 0.67 0.57 1.25 0.02 -0.26 0.19 113.55 116.09 1d8b h SER 26 Ca -0.02 -0.21 -0.17 0.00 -0.84 0.00 0.00 61.79 60.55 1d8b h SER 26 Cb 1.34 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.68 1d8b h SER 26 CO 0.11 0.84 -0.77 -0.07 -1.14 0.00 0.00 176.83 175.81 1d8b h LEU 27 N 0.61 0.19 0.09 5.07 4.07 -1.40 -1.68 115.31 122.26 1d8b h LEU 27 Ca 0.10 -0.14 -0.00 0.00 0.08 0.00 0.00 57.88 57.92 1d8b h LEU 27 Cb 0.61 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.29 1d8b h LEU 27 CO 0.04 0.88 -0.04 -1.13 -1.08 0.00 0.00 178.44 177.11 1d8b h ASN 28 N 0.10 -0.10 -0.61 -0.43 -0.73 -1.04 -2.86 115.58 109.90 1d8b h ASN 28 Ca -0.02 -0.34 -0.07 0.00 1.87 0.00 0.00 56.30 57.73 1d8b h ASN 28 Cb 1.35 0.03 -0.02 0.00 0.27 0.00 0.00 38.32 39.94 1d8b h ASN 28 CO 0.11 0.53 0.12 -0.07 -0.37 0.00 0.00 177.43 177.75 1d8b h LEU 29 N -0.97 0.95 -0.51 0.34 3.38 -0.75 -1.78 115.31 115.97 1d8b h LEU 29 Ca -0.01 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.67 1d8b h LEU 29 Cb 0.44 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1d8b h LEU 29 CO 0.02 0.95 0.18 1.23 0.09 0.00 0.00 178.44 180.91 1d8b h GLY 30 N 0.90 0.84 2.00 0.83 0.00 -1.45 -2.03 103.07 104.16 1d8b h GLY 30 Ca 0.19 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1d8b h GLY 30 CO 0.01 0.45 0.00 -2.01 0.00 0.00 0.00 176.54 174.99 1d8b n ASN 31 N -4.51 0.57 -0.36 0.19 4.05 -1.08 -0.72 115.26 113.40 1d8b n ASN 31 Ca 0.02 0.57 0.12 0.00 0.45 0.00 0.00 54.58 55.74 1d8b n ASN 31 Cb 0.18 -0.71 0.21 0.00 1.23 0.00 0.00 39.78 40.69 1d8b n ASN 31 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 1d8b n ARG 32 N -2.05 1.00 -2.33 1.20 0.63 -0.68 -4.82 116.66 109.62 1d8b n ARG 32 Ca 0.05 -0.72 -0.29 0.00 -0.92 0.00 0.00 57.85 55.97 1d8b n ARG 32 Cb 0.37 -1.49 -0.00 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 -2.49 3.61 -0.16 -0.14 1.75 -0.80 -4.99 119.30 116.08 1d8b s MET 33 Ca 0.22 0.49 -0.03 0.00 -1.25 0.00 0.00 55.69 55.12 1d8b s MET 33 Cb 0.19 -2.24 0.05 0.00 2.84 0.00 0.00 34.83 35.67 1d8b s MET 33 CO 0.54 -0.34 0.05 0.08 -0.65 0.00 0.00 175.02 174.70 1d8b s VAL 34 N -2.88 0.32 0.52 10.11 1.01 -1.26 -1.40 120.40 126.81 1d8b s VAL 34 Ca 0.51 -0.32 -0.20 0.00 0.00 0.00 0.00 61.98 61.97 1d8b s VAL 34 Cb -0.11 -0.81 -0.07 0.00 0.00 0.00 0.00 36.38 35.40 1d8b s VAL 34 CO 0.47 -0.14 1.12 -2.84 0.00 0.00 0.00 175.10 173.70 1d8b s PRO 35 N 1.96 3.51 0.20 2.72 0.02 -1.26 -5.09 135.00 137.06 1d8b s PRO 35 Ca 0.01 1.59 -0.33 0.00 0.02 0.00 0.00 61.00 62.30 1d8b s PRO 35 Cb -0.16 -2.10 -0.13 0.00 0.02 0.00 0.00 34.50 32.14 1d8b s PRO 35 CO -0.08 -0.71 1.64 -2.30 -0.33 0.00 0.00 177.00 175.22 1d8b n PRO 36 N -1.09 2.47 -2.83 5.54 -0.02 -0.49 -4.94 135.00 133.64 1d8b n PRO 36 Ca 0.10 0.89 -0.42 0.00 -2.02 0.00 0.00 63.50 62.05 1d8b n PRO 36 Cb 0.51 -2.69 -0.04 0.00 -0.02 0.00 0.00 33.50 31.26 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 0.92 4.82 0.06 -1.45 1.01 0.10 -4.94 120.40 120.92 1d8b s VAL 37 Ca 0.76 1.72 -0.28 0.00 0.00 0.00 0.00 61.98 64.18 1d8b s VAL 37 Cb -0.59 -4.18 -0.17 0.00 0.00 0.00 0.00 36.38 31.44 1d8b s VAL 37 CO 0.37 -0.05 1.59 1.23 0.00 0.00 0.00 175.10 178.24 1d8b h GLY 38 N 8.79 -0.47 -7.51 4.51 0.00 -1.92 -3.37 103.07 103.11 1d8b h GLY 38 Ca -0.25 0.17 -0.68 0.00 0.00 0.00 0.00 47.33 46.57 1d8b h GLY 38 CO 0.88 -0.17 -0.49 0.54 0.00 0.00 0.00 176.54 177.29 1d8b s ASN 39 N -4.86 5.01 0.06 0.19 4.22 -1.26 -4.95 114.94 113.35 1d8b s ASN 39 Ca -0.15 -2.63 -0.34 0.00 -2.14 0.00 0.00 52.86 47.60 1d8b s ASN 39 Cb 0.04 -1.78 -0.19 0.00 1.28 0.00 0.00 41.25 40.59 1d8b s ASN 39 CO 0.62 -0.38 1.57 0.15 -2.04 0.00 0.00 177.10 177.02 1d8b h PHE 40 N 7.22 -0.94 -3.38 1.54 3.57 -1.79 -3.42 116.94 119.73 1d8b h PHE 40 Ca -0.06 -0.02 -0.42 0.00 3.53 0.00 0.00 57.97 61.00 1d8b h PHE 40 Cb 0.97 0.31 -0.35 0.00 2.79 0.00 0.00 35.95 39.67 1d8b h PHE 40 CO 0.61 -0.58 -0.77 1.41 -2.23 0.00 0.00 178.31 176.75 1d8b s MET 41 N -5.91 0.77 0.58 1.11 1.75 -1.26 -5.04 119.30 111.30 1d8b s MET 41 Ca -0.18 -0.04 -0.20 0.00 -1.25 0.00 0.00 55.69 54.03 1d8b s MET 41 Cb 0.03 -0.90 -0.04 0.00 2.84 0.00 0.00 34.83 36.76 1d8b s MET 41 CO 0.60 -0.16 1.25 -2.14 -0.65 0.00 0.00 175.02 173.92 1d8b s PRO 42 N 1.28 3.00 0.35 4.11 0.02 -1.26 -4.76 135.00 137.74 1d8b s PRO 42 Ca -0.05 1.95 0.10 0.00 0.02 0.00 0.00 61.00 63.02 1d8b s PRO 42 Cb -0.14 -2.02 0.86 0.00 0.02 0.00 0.00 34.50 33.22 1d8b s PRO 42 CO -0.02 -1.22 1.83 0.22 -0.33 0.00 0.00 177.00 177.48 1d8b h ASP 43 N 1.04 0.64 0.17 2.53 3.58 -2.00 0.15 116.42 122.53 1d8b h ASP 43 Ca -0.51 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.00 1d8b h ASP 43 Cb 1.30 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.29 1d8b h ASP 43 CO 0.56 0.27 -0.08 0.77 -2.88 0.00 0.00 179.24 177.88 1d8b h SER 44 N 0.65 -0.19 -0.53 2.28 4.64 -2.00 -2.15 113.55 116.25 1d8b h SER 44 Ca 0.50 -0.15 -0.06 0.00 -0.47 0.00 0.00 61.79 61.61 1d8b h SER 44 Cb 0.91 0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 63.03 1d8b h SER 44 CO -0.26 0.04 0.13 0.40 -0.87 0.00 0.00 176.83 176.27 1d8b h ILE 45 N -0.43 1.24 -0.47 0.95 1.08 -1.65 -2.25 117.51 115.99 1d8b h ILE 45 Ca -0.02 -0.87 -0.02 0.00 -0.39 0.00 0.00 64.86 63.55 1d8b h ILE 45 Cb 0.33 0.66 -0.02 0.00 -3.07 0.00 0.00 36.82 34.72 1d8b h ILE 45 CO 0.04 0.33 0.19 -0.07 -0.69 0.00 0.00 178.15 177.95 1d8b h LEU 46 N 0.86 0.60 -0.15 1.44 3.38 -0.66 0.18 115.31 120.96 1d8b h LEU 46 Ca 0.18 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 1d8b h LEU 46 Cb 0.33 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1d8b h LEU 46 CO 0.00 0.54 -0.47 0.11 0.09 0.00 0.00 178.44 178.71 1d8b h LYS 47 N 0.66 0.59 -0.12 1.13 1.57 -0.83 -1.80 116.57 117.77 1d8b h LYS 47 Ca 0.16 -0.43 -0.21 0.00 -1.87 0.00 0.00 60.65 58.30 1d8b h LYS 47 Cb 0.12 0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.52 1d8b h LYS 47 CO -0.02 1.05 -0.75 1.57 -0.57 0.00 0.00 179.45 180.73 1d8b h LYS 48 N 0.24 0.71 -0.07 3.15 2.10 -1.21 -2.00 116.57 119.49 1d8b h LYS 48 Ca -0.01 -0.61 -0.07 0.00 -2.00 0.00 0.00 60.65 57.96 1d8b h LYS 48 Cb 1.09 0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 32.54 1d8b h LYS 48 CO 0.10 1.22 -0.26 0.00 -2.00 0.00 0.00 179.45 178.51 1d8b h MET 49 N 0.41 0.12 0.00 0.07 -0.00 -0.72 0.18 114.93 114.99 1d8b h MET 49 Ca -0.06 -0.04 -0.16 0.00 -0.00 0.00 0.00 59.70 59.44 1d8b h MET 49 Cb 1.39 -0.01 -0.02 0.00 -0.00 0.00 0.00 31.60 32.95 1d8b h MET 49 CO 0.15 0.38 -0.77 0.00 -0.00 0.00 0.00 176.91 176.67 1d8b h ALA 50 N 1.63 0.53 0.19 -3.00 0.00 -1.29 -0.55 119.26 116.77 1d8b h ALA 50 Ca 0.02 -0.70 -0.34 0.00 0.00 0.00 0.00 54.91 53.89 1d8b h ALA 50 Cb 0.52 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.20 1d8b h ALA 50 CO 0.04 0.96 -1.67 0.00 0.00 0.00 0.00 179.25 178.57 1d8b h ALA 51 N 1.23 0.11 0.07 0.00 0.00 -0.79 -3.38 119.26 116.49 1d8b h ALA 51 Ca -0.01 -1.08 -0.31 0.00 0.00 0.00 0.00 54.91 53.51 1d8b h ALA 51 Cb 1.55 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 19.70 1d8b h ALA 51 CO 0.10 0.97 -1.70 0.82 0.00 0.00 0.00 179.25 179.44 1d8b h ILE 52 N 0.11 0.91 -5.69 0.00 5.03 -0.77 -3.50 117.51 113.61 1d8b h ILE 52 Ca -0.31 -2.66 -0.20 0.00 -0.12 0.00 0.00 64.86 61.57 1d8b h ILE 52 Cb 2.11 2.56 0.07 0.00 -3.03 0.00 0.00 36.82 38.53 1d8b h ILE 52 CO 0.20 0.72 -0.52 0.18 -0.68 0.00 0.00 178.15 178.04 1d8b n LEU 53 N -3.29 -5.28 -4.62 1.44 4.77 -0.21 -4.91 117.00 104.89 1d8b n LEU 53 Ca -0.20 -0.51 -0.43 0.00 -0.03 0.00 0.00 56.01 54.84 1d8b n LEU 53 Cb 1.04 -2.95 -0.02 0.00 -2.33 0.00 0.00 43.42 39.16 1d8b n LEU 53 CO 0.46 -0.35 1.18 -2.84 -1.33 0.00 0.00 177.39 174.51 1d8b s PRO 54 N -4.11 3.80 0.49 3.23 0.02 -1.26 -4.90 135.00 132.27 1d8b s PRO 54 Ca 0.21 1.17 0.24 0.00 0.02 0.00 0.00 61.00 62.63 1d8b s PRO 54 Cb -0.05 -3.93 1.25 0.00 0.02 0.00 0.00 34.50 31.79 1d8b s PRO 54 CO 0.78 -1.27 2.00 0.52 -0.33 0.00 0.00 177.00 178.71 1d8b h MET 55 N 9.79 0.00 0.00 5.54 2.86 -1.91 -3.43 114.93 127.78 1d8b h MET 55 Ca -0.27 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.24 1d8b h MET 55 Cb 1.10 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.73 1d8b h MET 55 CO 1.05 0.17 -0.04 -1.71 1.06 0.00 0.00 176.91 177.44 1d8b n ASN 56 N -3.75 -0.85 0.14 1.22 2.85 -1.26 -4.67 115.26 108.95 1d8b n ASN 56 Ca -0.02 -2.03 0.05 0.00 -0.11 0.00 0.00 54.58 52.47 1d8b n ASN 56 Cb 0.28 1.54 0.50 0.00 1.24 0.00 0.00 39.78 43.34 1d8b n ASN 56 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 1d8b h ASP 57 N 1.10 0.20 -0.08 1.20 5.19 -2.00 -2.95 116.42 119.08 1d8b h ASP 57 Ca -0.16 -0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.23 1d8b h ASP 57 Cb 0.67 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 40.12 1d8b h ASP 57 CO 0.21 0.22 0.04 0.28 -3.12 0.00 0.00 179.24 176.87 1d8b h SER 58 N 0.22 0.10 0.29 6.45 0.02 -1.98 -2.65 113.55 116.01 1d8b h SER 58 Ca 0.06 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 1d8b h SER 58 Cb 0.11 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 1d8b h SER 58 CO -0.00 0.18 -0.14 0.00 -1.14 0.00 0.00 176.83 175.72 1d8b h ALA 59 N 0.93 1.42 -0.44 3.77 0.00 -1.90 -2.99 119.26 120.05 1d8b h ALA 59 Ca 0.03 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 54.94 1d8b h ALA 59 Cb 0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1d8b h ALA 59 CO -0.00 0.18 0.57 0.74 0.00 0.00 0.00 179.25 180.73 1d8b h PHE 60 N 0.00 0.00 -0.14 0.00 0.04 -1.36 -0.49 116.94 115.00 1d8b h PHE 60 Ca -0.00 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.81 1d8b h PHE 60 Cb 0.32 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 1d8b h PHE 60 CO 0.00 0.00 0.21 0.00 -0.60 0.00 0.00 178.31 177.92 1d8b h ALA 61 N 1.27 1.64 0.00 2.45 0.00 -1.67 0.13 119.26 123.08 1d8b h ALA 61 Ca 0.21 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1d8b h ALA 61 Cb 1.34 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1d8b h ALA 61 CO -0.00 -0.28 -0.54 1.79 0.00 0.00 0.00 179.25 180.21 1d8b h THR 62 N 0.00 0.96 -0.24 0.00 1.35 -1.35 -3.18 112.91 110.44 1d8b h THR 62 Ca 0.07 -2.28 -0.08 0.00 -0.55 0.00 0.00 66.41 63.56 1d8b h THR 62 Cb 0.48 2.42 -0.01 0.00 -1.73 0.00 0.00 68.15 69.30 1d8b h THR 62 CO -0.00 0.53 -0.21 -0.07 -0.25 0.00 0.00 175.52 175.53 1d8b h LEU 63 N 0.00 0.43 0.00 3.87 3.38 -0.89 -3.49 115.31 118.61 1d8b h LEU 63 Ca -0.01 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1d8b h LEU 63 Cb 1.38 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1d8b h LEU 63 CO 0.07 0.65 0.00 0.61 0.09 0.00 0.00 178.44 179.86 1d8b n GLY 64 N -0.51 0.46 2.78 0.83 0.00 -1.17 -4.85 105.19 102.74 1d8b n GLY 64 Ca -0.00 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 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 0.89 4.24 -2.10 2.61 -2.24 -1.26 -4.69 114.28 111.74 1d8b n THR 65 Ca 0.00 -4.05 -0.41 0.00 -2.27 0.00 0.00 64.05 57.32 1d8b n THR 65 Cb 0.00 -2.39 -0.03 0.00 -2.10 0.00 0.00 70.33 65.81 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 0.87 2.91 0.73 2.28 -7.23 -1.26 -4.95 120.40 113.74 1d8b s VAL 66 Ca 0.43 0.74 -0.16 0.00 -1.81 0.00 0.00 61.98 61.19 1d8b s VAL 66 Cb 0.12 -3.48 0.02 0.00 0.56 0.00 0.00 36.38 33.60 1d8b s VAL 66 CO -0.03 0.11 1.07 1.21 -0.31 0.00 0.00 175.10 177.16 1d8b n GLU 67 N 2.65 0.55 -0.32 4.82 4.07 -1.26 -4.70 120.64 126.46 1d8b n GLU 67 Ca 0.07 0.25 0.02 0.00 -0.06 0.00 0.00 57.16 57.44 1d8b n GLU 67 Cb 0.41 -2.32 0.20 0.00 -0.06 0.00 0.00 31.44 29.67 1d8b n GLU 67 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 1d8b h ASP 68 N -0.24 0.99 0.75 4.31 1.82 -1.99 0.21 116.42 122.27 1d8b h ASP 68 Ca -0.48 -0.01 -0.07 0.00 -0.39 0.00 0.00 57.03 56.09 1d8b h ASP 68 Cb 1.33 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 41.11 1d8b h ASP 68 CO 0.48 0.67 -0.31 0.07 -1.61 0.00 0.00 179.24 178.54 1d8b h LYS 69 N 1.14 0.00 0.13 0.28 -0.00 -2.00 -1.57 116.57 114.55 1d8b h LYS 69 Ca 0.38 0.00 -0.29 0.00 -0.00 0.00 0.00 60.65 60.73 1d8b h LYS 69 Cb 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.28 1d8b h LYS 69 CO -0.12 0.31 -1.42 1.88 -0.00 0.00 0.00 179.45 180.10 1d8b h TYR 70 N 0.00 0.49 -0.31 0.07 0.05 -1.49 -3.19 116.97 112.58 1d8b h TYR 70 Ca -0.00 -0.36 -0.07 0.00 0.05 0.00 0.00 58.73 58.34 1d8b h TYR 70 Cb 0.77 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 38.47 1d8b h TYR 70 CO 0.00 1.35 -0.12 -0.09 -1.05 0.00 0.00 178.16 178.25 1d8b h ARG 71 N 0.07 0.53 0.14 4.88 2.43 -0.46 -2.16 114.38 119.82 1d8b h ARG 71 Ca -0.20 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 58.81 1d8b h ARG 71 Cb 2.01 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.50 1d8b h ARG 71 CO 0.18 0.65 -0.07 -0.09 -1.51 0.00 0.00 179.97 179.13 1d8b h ARG 72 N 0.49 -0.19 0.00 0.20 2.43 -1.33 -2.92 114.38 113.07 1d8b h ARG 72 Ca 0.09 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1d8b h ARG 72 Cb 0.50 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 1d8b h ARG 72 CO 0.03 -0.12 0.00 2.89 -1.51 0.00 0.00 179.97 181.25 1d8b n ARG 73 N -2.52 0.17 -0.01 0.20 0.00 -1.21 -2.29 116.66 111.00 1d8b n ARG 73 Ca -0.02 0.16 0.17 0.00 -0.00 0.00 0.00 57.85 58.15 1d8b n ARG 73 Cb 0.08 -1.50 0.62 0.00 -0.00 0.00 0.00 32.46 31.66 1d8b n ARG 73 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.63 177.98 1d8b h PHE 74 N 0.00 0.15 -0.50 2.89 3.04 -1.18 0.01 116.94 121.35 1d8b h PHE 74 Ca 0.00 0.00 0.15 0.00 3.98 0.00 0.00 57.97 62.10 1d8b h PHE 74 Cb 0.09 -0.05 -0.02 0.00 2.56 0.00 0.00 35.95 38.53 1d8b h PHE 74 CO 0.00 0.07 0.47 1.57 -2.02 0.00 0.00 178.31 178.40 1d8b h LYS 75 N 0.14 0.00 0.00 1.11 2.10 -1.59 0.40 116.57 118.72 1d8b h LYS 75 Ca 0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.90 1d8b h LYS 75 Cb 0.79 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.12 1d8b h LYS 75 CO -0.03 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.08 1d8b n TYR 76 N -3.87 0.00 0.17 0.07 4.01 -0.01 -3.08 117.16 114.45 1d8b n TYR 76 Ca 0.09 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.88 1d8b n TYR 76 Cb 0.68 -0.44 -0.06 0.00 -0.31 0.00 0.00 39.34 39.20 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 -1.44 0.00 0.11 -0.72 3.72 0.13 -4.59 117.46 114.66 1d8b n PHE 77 Ca 0.09 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.55 1d8b n PHE 77 Cb 0.31 -0.11 0.53 0.00 -0.94 0.00 0.00 39.48 39.26 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 0.29 -0.07 -1.08 3.64 -1.13 0.29 116.57 118.51 1d8b h LYS 78 Ca 0.00 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.20 1d8b h LYS 78 Cb 0.31 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1d8b h LYS 78 CO 0.00 0.19 -0.68 0.00 -2.27 0.00 0.00 179.45 176.69 1d8b h ALA 79 N 1.85 0.71 0.08 5.00 0.00 -1.81 -2.39 119.26 122.70 1d8b h ALA 79 Ca 0.09 -0.59 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 1d8b h ALA 79 Cb 0.02 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.74 1d8b h ALA 79 CO -0.02 0.77 -0.60 1.15 0.00 0.00 0.00 179.25 180.55 1d8b h THR 80 N 0.21 1.54 -0.32 0.00 2.02 -1.58 -3.13 112.91 111.65 1d8b h THR 80 Ca -0.02 -2.44 -0.01 0.00 0.77 0.00 0.00 66.41 64.72 1d8b h THR 80 Cb 1.23 3.17 -0.02 0.00 -1.74 0.00 0.00 68.15 70.80 1d8b h THR 80 CO 0.11 0.65 0.16 0.40 0.37 0.00 0.00 175.52 177.21 1d8b h ILE 81 N -0.64 1.11 0.00 3.11 2.04 -0.55 0.53 117.51 123.11 1d8b h ILE 81 Ca -0.12 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.39 1d8b h ILE 81 Cb 1.40 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1d8b h ILE 81 CO 0.07 0.12 -0.23 0.00 0.00 0.00 0.00 178.15 178.11 1d8b h ALA 82 N 1.74 1.04 0.12 1.87 0.00 -1.53 -3.06 119.26 119.44 1d8b h ALA 82 Ca 0.11 -0.21 -0.36 0.00 0.00 0.00 0.00 54.91 54.45 1d8b h ALA 82 Cb 0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1d8b h ALA 82 CO -0.02 0.29 -1.98 -3.47 0.00 0.00 0.00 179.25 174.07 1d8b n ASP 83 N -3.43 2.07 0.18 0.00 2.03 0.05 -4.11 116.55 113.34 1d8b n ASP 83 Ca -0.00 0.23 0.15 0.00 0.52 0.00 0.00 54.79 55.69 1d8b n ASP 83 Cb 0.42 -0.84 0.76 0.00 -0.72 0.00 0.00 41.12 40.74 1d8b n ASP 83 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1d8b h LEU 84 N 0.07 0.00 -1.40 -2.67 3.38 -0.01 0.15 115.31 114.83 1d8b h LEU 84 Ca -0.42 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.49 1d8b h LEU 84 Cb 2.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.78 1d8b h LEU 84 CO 0.09 0.00 -0.30 0.77 0.09 0.00 0.00 178.44 179.09 1d8b h SER 85 N 0.00 0.00 0.29 -0.43 4.64 -1.69 0.09 113.55 116.45 1d8b h SER 85 Ca 0.10 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.08 1d8b h SER 85 Cb 0.45 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.50 1d8b h SER 85 CO -0.00 0.30 -1.89 0.29 -0.87 0.00 0.00 176.83 174.66 1d8b n LYS 86 N -4.01 0.70 0.25 4.77 5.02 0.25 -3.97 118.16 121.17 1d8b n LYS 86 Ca -0.02 0.27 0.11 0.00 -2.02 0.00 0.00 58.31 56.65 1d8b n LYS 86 Cb 0.36 -1.74 0.64 0.00 -0.02 0.00 0.00 35.03 34.27 1d8b n LYS 86 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 1d8b h LYS 87 N 0.03 0.00 0.00 1.97 1.79 -0.58 0.65 116.57 120.44 1d8b h LYS 87 Ca -0.37 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.10 1d8b h LYS 87 Cb 2.03 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.68 1d8b h LYS 87 CO 0.08 0.17 -0.03 -0.09 -1.08 0.00 0.00 179.45 178.50 1d8b h ARG 88 N 0.00 0.00 0.00 3.15 2.43 -1.11 -2.88 114.38 115.97 1d8b h ARG 88 Ca -0.00 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.80 1d8b h ARG 88 Cb 0.42 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.92 1d8b h ARG 88 CO 0.02 0.03 -2.25 0.43 -1.51 0.00 0.00 179.97 176.69 1d8b n SER 89 N -4.22 1.71 -3.75 -3.80 7.64 -0.89 -4.90 113.62 105.41 1d8b n SER 89 Ca -0.03 0.21 -0.30 0.00 1.01 0.00 0.00 58.87 59.76 1d8b n SER 89 Cb 0.11 -0.61 -0.15 0.00 -1.01 0.00 0.00 64.21 62.56 1d8b n SER 89 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1d8b s SER 90 N -6.86 4.03 0.00 6.43 0.01 0.17 -5.15 113.70 112.33 1d8b s SER 90 Ca -0.31 -1.79 0.17 0.00 1.31 0.00 0.00 55.95 55.33 1d8b s SER 90 Cb 0.11 -0.93 1.03 0.00 0.21 0.00 0.00 66.02 66.44 1d8b s SER 90 CO 0.41 -0.40 1.43 -1.84 0.41 0.00 0.00 173.24 173.25