#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 6.66 -4.27 -4.62 4.77 -1.26 -4.80 117.00 113.48 1d8b n LEU 12 Ca 0.00 -3.72 -0.43 0.00 -0.03 0.00 0.00 56.01 51.83 1d8b n LEU 12 Cb 0.00 -1.45 0.00 0.00 -2.33 0.00 0.00 43.42 39.64 1d8b n LEU 12 CO 0.00 1.85 2.01 -3.20 -1.33 0.00 0.00 177.39 176.72 1d8b n ASN 13 N 2.72 4.78 0.14 -1.43 2.85 -1.26 -4.70 115.26 118.36 1d8b n ASN 13 Ca 0.57 -2.94 0.01 0.00 -0.11 0.00 0.00 54.58 52.10 1d8b n ASN 13 Cb 0.63 -1.66 0.17 0.00 1.24 0.00 0.00 39.78 40.17 1d8b n ASN 13 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1d8b h ASN 14 N 6.88 0.00 -0.53 1.20 -1.07 -1.96 -2.82 115.58 117.28 1d8b h ASN 14 Ca 0.44 0.00 -0.04 0.00 0.07 0.00 0.00 56.30 56.78 1d8b h ASN 14 Cb 0.79 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.01 1d8b h ASN 14 CO 1.53 0.58 0.21 0.25 0.07 0.00 0.00 177.43 180.07 1d8b h LEU 15 N 0.00 0.78 -0.21 6.14 6.46 -1.84 0.17 115.31 126.81 1d8b h LEU 15 Ca -0.01 -0.11 -0.20 0.00 -0.12 0.00 0.00 57.88 57.45 1d8b h LEU 15 Cb 1.14 -0.20 0.01 0.00 -0.73 0.00 0.00 40.66 40.88 1d8b h LEU 15 CO 0.08 0.71 -0.65 -0.09 -0.62 0.00 0.00 178.44 177.87 1d8b h ARG 16 N 0.83 0.81 -0.63 1.25 2.43 -1.91 -1.04 114.38 116.13 1d8b h ARG 16 Ca 0.19 -0.59 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 1d8b h ARG 16 Cb 0.19 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 1d8b h ARG 16 CO -0.01 1.21 0.40 1.98 -1.51 0.00 0.00 179.97 182.04 1d8b h MET 17 N 0.56 0.84 -0.04 0.20 4.05 -1.17 0.28 114.93 119.66 1d8b h MET 17 Ca -0.02 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.33 1d8b h MET 17 Cb 1.27 -0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 31.89 1d8b h MET 17 CO 0.14 0.58 0.00 1.15 0.23 0.00 0.00 176.91 179.01 1d8b h THR 18 N 0.85 1.24 -0.60 -0.77 2.02 -0.64 -1.24 112.91 113.78 1d8b h THR 18 Ca 0.23 -0.73 0.03 0.00 0.77 0.00 0.00 66.41 66.70 1d8b h THR 18 Cb -0.06 1.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 1d8b h THR 18 CO -0.05 0.20 0.36 0.22 0.37 0.00 0.00 175.52 176.62 1d8b h TYR 19 N -0.23 0.67 -0.17 3.16 3.20 -0.93 0.31 116.97 122.99 1d8b h TYR 19 Ca 0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1d8b h TYR 19 Cb 0.32 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1d8b h TYR 19 CO 0.03 0.38 0.11 0.93 -1.64 0.00 0.00 178.16 177.96 1d8b h GLU 20 N 0.71 0.23 -0.34 1.82 3.07 -0.39 0.15 114.58 119.83 1d8b h GLU 20 Ca 0.24 -0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 59.05 1d8b h GLU 20 Cb 0.04 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.88 1d8b h GLU 20 CO -0.11 0.18 0.05 -0.09 -1.40 0.00 0.00 179.01 177.64 1d8b h ARG 21 N 0.22 0.50 -0.14 2.33 9.65 -0.83 -0.56 114.38 125.54 1d8b h ARG 21 Ca 0.06 -0.09 -0.19 0.00 -1.10 0.00 0.00 59.98 58.67 1d8b h ARG 21 Cb 0.00 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 28.50 1d8b h ARG 21 CO -0.01 0.49 -0.69 -0.07 2.80 0.00 0.00 179.97 182.49 1d8b h LEU 22 N 0.49 0.66 -0.21 3.80 3.38 -0.46 -1.94 115.31 121.03 1d8b h LEU 22 Ca 0.11 -0.41 -0.11 0.00 0.09 0.00 0.00 57.88 57.56 1d8b h LEU 22 Cb 0.24 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1d8b h LEU 22 CO 0.00 1.16 -0.30 -0.09 0.09 0.00 0.00 178.44 179.31 1d8b h ARG 23 N 0.41 0.57 -0.27 1.13 2.43 -0.11 0.18 114.38 118.73 1d8b h ARG 23 Ca -0.02 -0.33 -0.11 0.00 -0.81 0.00 0.00 59.98 58.71 1d8b h ARG 23 Cb 1.27 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 1d8b h ARG 23 CO 0.13 0.94 -0.28 1.49 -1.51 0.00 0.00 179.97 180.74 1d8b h GLU 24 N 0.26 0.53 -0.11 0.20 4.57 -1.16 -1.65 114.58 117.22 1d8b h GLU 24 Ca 0.02 -0.22 -0.14 0.00 -1.18 0.00 0.00 59.36 57.85 1d8b h GLU 24 Cb 0.87 -0.02 0.01 0.00 -0.16 0.00 0.00 28.75 29.44 1d8b h GLU 24 CO 0.07 0.76 -0.48 1.25 -1.18 0.00 0.00 179.01 179.43 1d8b h LEU 25 N 0.46 0.61 -1.37 1.64 6.46 -1.30 -2.32 115.31 119.50 1d8b h LEU 25 Ca 0.06 -0.63 -0.03 0.00 -0.12 0.00 0.00 57.88 57.16 1d8b h LEU 25 Cb 0.72 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.45 1d8b h LEU 25 CO 0.06 1.14 0.08 0.28 -0.62 0.00 0.00 178.44 179.38 1d8b h SER 26 N 0.12 0.46 0.74 1.25 0.02 -0.49 0.63 113.55 116.28 1d8b h SER 26 Ca -0.03 -0.06 -0.22 0.00 -0.84 0.00 0.00 61.79 60.64 1d8b h SER 26 Cb 1.12 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 1d8b h SER 26 CO 0.10 0.47 -1.03 -0.07 -1.14 0.00 0.00 176.83 175.17 1d8b h LEU 27 N 0.50 0.22 0.26 5.07 4.07 -1.31 -0.88 115.31 123.24 1d8b h LEU 27 Ca 0.12 -0.21 -0.01 0.00 0.08 0.00 0.00 57.88 57.85 1d8b h LEU 27 Cb 0.20 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 41.87 1d8b h LEU 27 CO -0.00 1.11 -0.13 0.78 -1.08 0.00 0.00 178.44 179.12 1d8b h ASN 28 N 0.06 -0.30 -0.04 -0.43 2.35 -0.93 -2.43 115.58 113.86 1d8b h ASN 28 Ca -0.06 -0.22 -0.08 0.00 -0.55 0.00 0.00 56.30 55.39 1d8b h ASN 28 Cb 1.73 0.08 -0.01 0.00 0.05 0.00 0.00 38.32 40.16 1d8b h ASN 28 CO 0.15 0.19 -0.20 -0.07 -1.65 0.00 0.00 177.43 175.85 1d8b h LEU 29 N -0.93 0.41 -0.31 1.61 3.38 -1.01 -2.15 115.31 116.31 1d8b h LEU 29 Ca -0.04 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1d8b h LEU 29 Cb 0.50 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1d8b h LEU 29 CO 0.06 0.63 0.17 1.23 0.09 0.00 0.00 178.44 180.62 1d8b h GLY 30 N 0.97 0.46 2.00 0.83 0.00 -1.21 -1.36 103.07 104.76 1d8b h GLY 30 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1d8b h GLY 30 CO 0.04 0.20 0.00 -2.01 0.00 0.00 0.00 176.54 174.77 1d8b n ASN 31 N -4.81 0.49 -0.21 0.19 2.85 -0.92 -0.31 115.26 112.54 1d8b n ASN 31 Ca -0.01 0.57 0.12 0.00 -0.11 0.00 0.00 54.58 55.14 1d8b n ASN 31 Cb 0.07 -0.69 0.29 0.00 1.24 0.00 0.00 39.78 40.69 1d8b n ASN 31 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 1d8b n ARG 32 N -1.98 0.67 -3.63 1.20 0.63 -0.82 -4.84 116.66 107.89 1d8b n ARG 32 Ca 0.05 -0.43 -0.26 0.00 -0.92 0.00 0.00 57.85 56.30 1d8b n ARG 32 Cb 0.34 -1.49 -0.02 0.00 0.45 0.00 0.00 32.46 31.74 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 -2.62 3.51 -0.10 -0.14 1.75 -0.57 -5.04 119.30 116.09 1d8b s MET 33 Ca 0.20 -0.38 -0.01 0.00 -1.25 0.00 0.00 55.69 54.25 1d8b s MET 33 Cb 0.19 -2.79 0.03 0.00 2.84 0.00 0.00 34.83 35.09 1d8b s MET 33 CO 0.58 0.33 -0.02 0.08 -0.65 0.00 0.00 175.02 175.34 1d8b s VAL 34 N -2.01 0.61 0.44 10.11 1.01 -1.26 -1.44 120.40 127.87 1d8b s VAL 34 Ca 0.38 -0.07 -0.24 0.00 0.00 0.00 0.00 61.98 62.06 1d8b s VAL 34 Cb -0.10 -0.75 -0.08 0.00 0.00 0.00 0.00 36.38 35.45 1d8b s VAL 34 CO 0.31 0.26 1.20 -2.16 0.00 0.00 0.00 175.10 174.71 1d8b s PRO 35 N 1.87 3.81 0.09 2.72 0.04 -1.26 -5.08 135.00 137.20 1d8b s PRO 35 Ca 0.04 1.87 -0.35 0.00 0.04 0.00 0.00 61.00 62.61 1d8b s PRO 35 Cb -0.13 -2.51 -0.14 0.00 0.04 0.00 0.00 34.50 31.76 1d8b s PRO 35 CO -0.06 -0.53 1.57 -2.30 0.04 0.00 0.00 177.00 175.71 1d8b n PRO 36 N -0.31 1.88 -3.05 0.56 -0.02 -0.52 -4.93 135.00 128.61 1d8b n PRO 36 Ca 0.06 0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 61.80 1d8b n PRO 36 Cb 0.47 -2.42 -0.06 0.00 -0.02 0.00 0.00 33.50 31.46 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 1.32 4.81 0.42 -1.45 1.01 0.58 -4.90 120.40 122.19 1d8b s VAL 37 Ca 0.83 0.55 0.24 0.00 0.00 0.00 0.00 61.98 63.59 1d8b s VAL 37 Cb -0.76 -4.17 0.26 0.00 0.00 0.00 0.00 36.38 31.71 1d8b s VAL 37 CO 0.43 -0.45 2.04 1.23 0.00 0.00 0.00 175.10 178.34 1d8b h GLY 38 N 9.63 0.00 -6.50 4.51 0.00 -1.92 -3.29 103.07 105.50 1d8b h GLY 38 Ca -0.26 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.48 1d8b h GLY 38 CO 0.88 0.00 -0.91 0.21 0.00 0.00 0.00 176.54 176.73 1d8b s ASN 39 N -6.38 2.08 0.40 0.19 3.04 -1.26 -4.93 114.94 108.08 1d8b s ASN 39 Ca -0.03 -3.06 0.18 0.00 0.04 0.00 0.00 52.86 49.99 1d8b s ASN 39 Cb 0.14 -0.60 1.08 0.00 -1.54 0.00 0.00 41.25 40.32 1d8b s ASN 39 CO 0.62 -0.18 1.80 0.15 -3.04 0.00 0.00 177.10 176.45 1d8b h PHE 40 N 5.79 0.65 -3.28 0.43 3.57 -1.70 -3.37 116.94 119.03 1d8b h PHE 40 Ca 0.22 0.02 -0.29 0.00 3.53 0.00 0.00 57.97 61.45 1d8b h PHE 40 Cb 0.90 -0.19 -0.34 0.00 2.79 0.00 0.00 35.95 39.10 1d8b h PHE 40 CO 0.34 0.10 -0.66 1.41 -2.23 0.00 0.00 178.31 177.27 1d8b s MET 41 N -5.49 0.02 0.39 1.11 1.75 -1.26 -5.05 119.30 110.76 1d8b s MET 41 Ca -0.09 0.39 -0.26 0.00 -1.25 0.00 0.00 55.69 54.47 1d8b s MET 41 Cb 0.24 -0.27 -0.11 0.00 2.84 0.00 0.00 34.83 37.53 1d8b s MET 41 CO 0.79 -0.23 1.28 -2.30 -0.65 0.00 0.00 175.02 173.91 1d8b n PRO 42 N 4.68 2.01 -0.28 4.11 -0.02 -1.26 -4.71 135.00 139.55 1d8b n PRO 42 Ca -0.17 0.71 0.19 0.00 -2.02 0.00 0.00 63.50 62.21 1d8b n PRO 42 Cb 0.51 -2.36 0.48 0.00 -0.02 0.00 0.00 33.50 32.11 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 0.47 -0.04 2.55 1.82 -1.98 0.20 116.42 121.72 1d8b h ASP 43 Ca -0.47 0.06 -0.00 0.00 -0.39 0.00 0.00 57.03 56.22 1d8b h ASP 43 Cb 1.29 -0.03 -0.00 0.00 0.68 0.00 0.00 39.33 41.27 1d8b h ASP 43 CO 0.61 0.17 0.02 0.28 -1.61 0.00 0.00 179.24 178.71 1d8b h SER 44 N 0.46 0.04 -0.04 2.28 0.02 -2.00 -0.52 113.55 113.79 1d8b h SER 44 Ca 0.51 -0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 61.29 1d8b h SER 44 Cb 1.19 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 1d8b h SER 44 CO -0.22 0.06 -0.40 0.40 -1.14 0.00 0.00 176.83 175.53 1d8b h ILE 45 N 0.02 1.30 -0.68 3.27 1.08 -1.42 -2.63 117.51 118.44 1d8b h ILE 45 Ca 0.01 -1.56 -0.01 0.00 -0.39 0.00 0.00 64.86 62.91 1d8b h ILE 45 Cb 0.03 1.55 -0.03 0.00 -3.07 0.00 0.00 36.82 35.30 1d8b h ILE 45 CO -0.00 0.49 0.39 -0.07 -0.69 0.00 0.00 178.15 178.27 1d8b h LEU 46 N 0.46 0.83 0.06 1.44 3.38 -0.38 0.19 115.31 121.29 1d8b h LEU 46 Ca 0.04 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1d8b h LEU 46 Cb 0.90 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1d8b h LEU 46 CO 0.08 0.65 -0.03 0.11 0.09 0.00 0.00 178.44 179.35 1d8b h LYS 47 N 0.95 -0.07 -0.54 1.13 1.57 -0.88 -1.63 116.57 117.10 1d8b h LYS 47 Ca 0.24 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.93 1d8b h LYS 47 Cb -0.00 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1d8b h LYS 47 CO -0.04 0.41 -0.06 1.57 -0.57 0.00 0.00 179.45 180.76 1d8b h LYS 48 N -0.60 0.96 0.00 3.15 2.10 -1.37 0.03 116.57 120.84 1d8b h LYS 48 Ca -0.01 -0.32 -0.09 0.00 -2.00 0.00 0.00 60.65 58.24 1d8b h LYS 48 Cb 0.52 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.76 1d8b h LYS 48 CO 0.01 0.99 -0.41 0.00 -2.00 0.00 0.00 179.45 178.04 1d8b h MET 49 N 0.87 0.00 0.00 0.07 -0.00 -1.03 0.97 114.93 115.81 1d8b h MET 49 Ca 0.15 0.00 -0.20 0.00 -0.00 0.00 0.00 59.70 59.65 1d8b h MET 49 Cb 0.59 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.17 1d8b h MET 49 CO 0.04 0.41 -0.96 0.00 -0.00 0.00 0.00 176.91 176.39 1d8b h ALA 50 N 1.59 0.39 0.22 -3.00 0.00 -0.89 0.15 119.26 117.73 1d8b h ALA 50 Ca -0.00 -0.87 -0.34 0.00 0.00 0.00 0.00 54.91 53.69 1d8b h ALA 50 Cb 0.72 -0.15 0.03 0.00 0.00 0.00 0.00 17.79 18.39 1d8b h ALA 50 CO 0.05 1.20 -1.57 0.00 0.00 0.00 0.00 179.25 178.93 1d8b h ALA 51 N 1.04 -0.03 0.10 0.00 0.00 -0.61 -3.38 119.26 116.37 1d8b h ALA 51 Ca -0.01 -0.97 -0.37 0.00 0.00 0.00 0.00 54.91 53.57 1d8b h ALA 51 Cb 1.72 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.76 1d8b h ALA 51 CO 0.12 0.83 -2.07 -0.89 0.00 0.00 0.00 179.25 177.25 1d8b n ILE 52 N -3.66 1.72 -3.00 0.00 -0.00 0.30 -5.04 119.36 109.68 1d8b n ILE 52 Ca -0.19 -0.65 -0.04 0.00 -0.00 0.00 0.00 62.75 61.87 1d8b n ILE 52 Cb 1.09 -1.63 0.00 0.00 -0.00 0.00 0.00 39.64 39.10 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 -3.42 -7.08 -4.54 1.39 4.77 0.51 -4.95 117.00 103.69 1d8b n LEU 53 Ca -0.34 0.13 -0.43 0.00 -0.03 0.00 0.00 56.01 55.34 1d8b n LEU 53 Cb 1.04 -3.30 -0.05 0.00 -2.33 0.00 0.00 43.42 38.78 1d8b n LEU 53 CO 0.40 -1.53 0.57 -2.16 -1.33 0.00 0.00 177.39 173.34 1d8b s PRO 54 N -2.89 3.42 -0.15 3.23 0.05 -1.26 -4.92 135.00 132.48 1d8b s PRO 54 Ca 0.09 -0.09 -0.26 0.00 0.05 0.00 0.00 61.00 60.79 1d8b s PRO 54 Cb -0.03 -3.93 -0.25 0.00 0.05 0.00 0.00 34.50 30.34 1d8b s PRO 54 CO 0.76 -1.11 0.65 1.98 0.05 0.00 0.00 177.00 179.32 1d8b h MET 55 N 8.97 0.03 -6.89 4.56 4.05 -1.92 -3.46 114.93 120.26 1d8b h MET 55 Ca -0.25 -0.04 -0.47 0.00 -0.28 0.00 0.00 59.70 58.66 1d8b h MET 55 Cb 1.09 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.88 1d8b h MET 55 CO 0.96 1.02 0.27 1.21 0.23 0.00 0.00 176.91 180.60 1d8b s ASN 56 N -6.43 7.03 0.45 1.39 3.84 -1.26 -4.97 114.94 114.98 1d8b s ASN 56 Ca -0.21 1.62 0.17 0.00 0.21 0.00 0.00 52.86 54.65 1d8b s ASN 56 Cb -0.01 -2.50 1.05 0.00 -0.55 0.00 0.00 41.25 39.24 1d8b s ASN 56 CO 0.68 -0.21 1.98 0.44 -2.79 0.00 0.00 177.10 177.21 1d8b h ASP 57 N 2.49 0.00 0.03 -4.21 3.32 -2.01 -2.66 116.42 113.37 1d8b h ASP 57 Ca -0.48 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.44 1d8b h ASP 57 Cb 1.18 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 1d8b h ASP 57 CO 0.63 0.20 -0.43 0.28 -1.72 0.00 0.00 179.24 178.20 1d8b h SER 58 N 0.00 0.53 0.53 6.45 0.02 -1.99 -2.51 113.55 116.59 1d8b h SER 58 Ca -0.00 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.67 1d8b h SER 58 Cb 0.37 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 1d8b h SER 58 CO 0.03 0.89 -0.16 0.00 -1.14 0.00 0.00 176.83 176.45 1d8b h ALA 59 N 1.13 1.20 -0.00 3.77 0.00 -1.88 -2.45 119.26 121.04 1d8b h ALA 59 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1d8b h ALA 59 Cb 0.92 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1d8b h ALA 59 CO 0.08 0.20 0.00 0.74 0.00 0.00 0.00 179.25 180.27 1d8b h PHE 60 N 0.00 0.00 0.00 0.00 0.04 -1.34 -2.24 116.94 113.41 1d8b h PHE 60 Ca -0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1d8b h PHE 60 Cb 0.47 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.62 1d8b h PHE 60 CO 0.00 0.00 -0.08 0.00 -0.60 0.00 0.00 178.31 177.63 1d8b h ALA 61 N 1.99 1.58 -0.00 2.45 0.00 -1.56 -1.20 119.26 122.53 1d8b h ALA 61 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1d8b h ALA 61 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1d8b h ALA 61 CO -0.00 0.10 -0.07 0.25 0.00 0.00 0.00 179.25 179.53 1d8b n THR 62 N -4.02 0.00 0.25 0.00 -2.24 -0.84 -2.86 114.28 104.56 1d8b n THR 62 Ca -0.03 -0.01 0.14 0.00 -2.27 0.00 0.00 64.05 61.89 1d8b n THR 62 Cb 0.17 -0.36 0.45 0.00 -2.10 0.00 0.00 70.33 68.49 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 0.08 0.00 0.00 3.22 3.38 -1.36 -3.49 115.31 117.14 1d8b h LEU 63 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1d8b h LEU 63 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1d8b h LEU 63 CO 0.00 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.19 1d8b n GLY 64 N 0.47 0.24 2.61 0.83 0.00 -1.14 -4.86 105.19 103.35 1d8b n GLY 64 Ca 0.02 -1.32 -0.27 0.00 0.00 0.00 0.00 46.02 44.44 1d8b n GLY 64 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1d8b n THR 65 N 0.00 2.02 -2.32 2.61 -1.04 -1.26 -4.75 114.28 109.54 1d8b n THR 65 Ca 0.00 -5.06 -0.42 0.00 -2.04 0.00 0.00 64.05 56.53 1d8b n THR 65 Cb 0.00 -2.13 -0.03 0.00 -1.82 0.00 0.00 70.33 66.35 1d8b n THR 65 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1d8b s VAL 66 N -2.05 3.66 0.99 12.58 -7.23 -1.26 -5.00 120.40 122.09 1d8b s VAL 66 Ca 0.34 1.23 -0.12 0.00 -1.81 0.00 0.00 61.98 61.62 1d8b s VAL 66 Cb 0.07 -3.79 0.19 0.00 0.56 0.00 0.00 36.38 33.41 1d8b s VAL 66 CO -0.08 0.12 1.08 -1.61 -0.31 0.00 0.00 175.10 174.31 1d8b s GLU 67 N 0.77 0.46 0.29 4.82 2.02 -1.26 -4.78 118.70 121.01 1d8b s GLU 67 Ca 0.59 0.67 0.00 0.00 0.02 0.00 0.00 54.97 56.25 1d8b s GLU 67 Cb -0.33 -1.73 0.42 0.00 0.10 0.00 0.00 34.13 32.60 1d8b s GLU 67 CO 0.31 -2.75 1.80 0.22 0.02 0.00 0.00 175.26 174.87 1d8b h ASP 68 N -1.91 0.68 0.39 -0.19 3.58 -1.99 -0.11 116.42 116.87 1d8b h ASP 68 Ca -0.54 -0.15 -0.05 0.00 0.42 0.00 0.00 57.03 56.72 1d8b h ASP 68 Cb 1.32 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 42.18 1d8b h ASP 68 CO 0.55 0.74 -0.23 0.07 -2.88 0.00 0.00 179.24 177.48 1d8b h LYS 69 N 0.68 0.00 0.15 0.28 2.10 -2.00 -0.95 116.57 116.82 1d8b h LYS 69 Ca 0.14 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.51 1d8b h LYS 69 Cb 0.39 0.00 0.03 0.00 -0.90 0.00 0.00 32.23 31.75 1d8b h LYS 69 CO 0.01 0.23 -1.18 1.88 -2.00 0.00 0.00 179.45 178.40 1d8b h TYR 70 N 0.00 0.91 -0.47 0.07 -1.99 -1.57 -3.27 116.97 110.64 1d8b h TYR 70 Ca -0.00 -0.60 -0.04 0.00 2.00 0.00 0.00 58.73 60.09 1d8b h TYR 70 Cb 0.49 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 39.14 1d8b h TYR 70 CO 0.00 1.45 0.13 0.00 -0.00 0.00 0.00 178.16 179.74 1d8b h ARG 71 N 0.11 0.71 0.00 4.88 2.47 -0.64 -1.15 114.38 120.75 1d8b h ARG 71 Ca -0.19 -0.12 0.00 0.00 -1.26 0.00 0.00 59.98 58.41 1d8b h ARG 71 Cb 1.89 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 30.09 1d8b h ARG 71 CO 0.23 0.63 0.00 0.54 0.56 0.00 0.00 179.97 181.93 1d8b n ARG 72 N -4.31 0.00 0.00 0.04 1.74 -0.40 -2.74 116.66 110.99 1d8b n ARG 72 Ca 0.03 0.25 0.04 0.00 -0.77 0.00 0.00 57.85 57.40 1d8b n ARG 72 Cb 0.20 -1.17 0.19 0.00 -1.02 0.00 0.00 32.46 30.66 1d8b n ARG 72 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1d8b n ARG 73 N -1.11 0.10 -0.07 5.56 0.00 -1.23 -2.37 116.66 117.52 1d8b n ARG 73 Ca 0.00 0.23 0.13 0.00 -0.00 0.00 0.00 57.85 58.21 1d8b n ARG 73 Cb 0.00 -1.50 0.52 0.00 -0.00 0.00 0.00 32.46 31.48 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 0.38 -0.09 2.89 3.04 -1.00 0.62 116.94 122.78 1d8b h PHE 74 Ca 0.00 0.01 0.03 0.00 3.98 0.00 0.00 57.97 61.99 1d8b h PHE 74 Cb 0.08 -0.12 -0.00 0.00 2.56 0.00 0.00 35.95 38.46 1d8b h PHE 74 CO 0.00 0.18 0.12 1.57 -2.02 0.00 0.00 178.31 178.16 1d8b h LYS 75 N 0.36 0.00 0.00 1.11 5.09 -1.58 0.10 116.57 121.65 1d8b h LYS 75 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.02 1d8b h LYS 75 Cb 0.61 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.94 1d8b h LYS 75 CO -0.07 0.00 0.00 0.66 -2.09 0.00 0.00 179.45 177.95 1d8b n TYR 76 N -3.73 0.47 0.25 0.07 4.01 0.21 -2.12 117.16 116.33 1d8b n TYR 76 Ca -0.01 0.17 0.07 0.00 -0.16 0.00 0.00 57.90 57.98 1d8b n TYR 76 Cb 0.22 -0.77 -0.10 0.00 -0.31 0.00 0.00 39.34 38.37 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 -1.91 0.00 -0.12 -0.72 3.72 0.29 -4.53 117.46 114.19 1d8b n PHE 77 Ca 0.04 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.61 1d8b n PHE 77 Cb 0.26 -0.22 0.56 0.00 -0.94 0.00 0.00 39.48 39.15 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 0.28 -0.05 -1.08 1.63 -0.83 0.56 116.57 117.08 1d8b h LYS 78 Ca 0.00 -0.02 -0.19 0.00 -0.85 0.00 0.00 60.65 59.59 1d8b h LYS 78 Cb 0.56 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.13 1d8b h LYS 78 CO 0.00 0.19 -0.78 0.00 -3.45 0.00 0.00 179.45 175.41 1d8b h ALA 79 N 1.66 0.56 -0.01 5.00 0.00 -1.80 -2.50 119.26 122.19 1d8b h ALA 79 Ca 0.34 -0.64 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 1d8b h ALA 79 Cb 0.93 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.67 1d8b h ALA 79 CO -0.08 0.79 -0.41 1.15 0.00 0.00 0.00 179.25 180.69 1d8b h THR 80 N 0.24 1.49 0.00 0.00 2.02 -1.20 -2.88 112.91 112.57 1d8b h THR 80 Ca -0.04 -1.99 -0.01 0.00 0.77 0.00 0.00 66.41 65.14 1d8b h THR 80 Cb 1.37 2.66 -0.00 0.00 -1.74 0.00 0.00 68.15 70.44 1d8b h THR 80 CO 0.13 0.56 -0.03 0.40 0.37 0.00 0.00 175.52 176.96 1d8b h ILE 81 N -0.30 0.56 0.04 3.11 2.04 -0.04 0.66 117.51 123.57 1d8b h ILE 81 Ca -0.05 -0.12 -0.23 0.00 1.00 0.00 0.00 64.86 65.47 1d8b h ILE 81 Cb 1.14 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 1d8b h ILE 81 CO 0.08 0.03 -1.01 0.00 0.00 0.00 0.00 178.15 177.25 1d8b h ALA 82 N 1.97 0.35 0.12 1.87 0.00 -1.42 -2.86 119.26 119.30 1d8b h ALA 82 Ca -0.00 -0.79 -0.17 0.00 0.00 0.00 0.00 54.91 53.95 1d8b h ALA 82 Cb 0.07 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.83 1d8b h ALA 82 CO 0.00 0.96 -0.74 0.22 0.00 0.00 0.00 179.25 179.69 1d8b h ASP 83 N 0.10 0.41 0.29 0.00 3.58 -1.02 -3.22 116.42 116.57 1d8b h ASP 83 Ca -0.07 -0.95 -0.06 0.00 0.42 0.00 0.00 57.03 56.36 1d8b h ASP 83 Cb 1.69 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 42.60 1d8b h ASP 83 CO 0.16 1.36 -0.28 -0.07 -2.88 0.00 0.00 179.24 177.52 1d8b h LEU 84 N -0.45 0.00 -0.75 2.28 3.38 -1.04 -0.81 115.31 117.93 1d8b h LEU 84 Ca -0.13 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.71 1d8b h LEU 84 Cb 1.57 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.30 1d8b h LEU 84 CO 0.13 0.28 -0.61 0.77 0.09 0.00 0.00 178.44 179.10 1d8b h SER 85 N 0.00 0.00 0.82 -0.43 4.64 -1.62 -1.38 113.55 115.58 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 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1d8b h SER 85 CO 0.04 0.61 -0.32 1.17 -0.87 0.00 0.00 176.83 177.46 1d8b n LYS 86 N -3.76 0.08 0.01 4.77 0.00 -0.83 -3.43 118.16 115.00 1d8b n LYS 86 Ca -0.01 0.04 0.11 0.00 0.00 0.00 0.00 58.31 58.45 1d8b n LYS 86 Cb 0.62 -1.57 -0.08 0.00 0.00 0.00 0.00 35.03 34.00 1d8b n LYS 86 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1d8b n LYS 87 N -1.69 0.38 -1.63 1.64 4.76 -0.37 -4.40 118.16 116.84 1d8b n LYS 87 Ca 0.06 -0.06 -0.43 0.00 -2.87 0.00 0.00 58.31 55.00 1d8b n LYS 87 Cb 0.37 -1.56 -0.03 0.00 -1.84 0.00 0.00 35.03 31.96 1d8b n LYS 87 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1d8b s ARG 88 N -3.28 3.33 -1.73 1.97 3.52 -0.56 -1.26 118.95 120.93 1d8b s ARG 88 Ca 0.00 2.12 0.00 0.00 -0.13 0.00 0.00 55.73 57.72 1d8b s ARG 88 Cb 0.14 -4.33 0.00 0.00 -1.56 0.00 0.00 34.95 29.20 1d8b s ARG 88 CO 0.85 -1.88 0.00 0.43 -0.81 0.00 0.00 175.30 173.89 1d8b n SER 89 N 10.87 -5.42 0.00 -2.12 7.64 -1.26 -3.33 113.62 120.00 1d8b n SER 89 Ca 0.28 0.11 0.00 0.00 1.01 0.00 0.00 58.87 60.27 1d8b n SER 89 Cb 0.44 -4.50 0.00 0.00 -1.01 0.00 0.00 64.21 59.14 1d8b n SER 89 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1d8b n SER 90 N -1.47 0.00 0.00 6.43 7.64 -0.39 -5.21 113.62 120.61 1d8b n SER 90 Ca -0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.66 1d8b n SER 90 Cb 0.66 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 1d8b n SER 90 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41