#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z8m s LEU 2 N 0.00 2.50 0.72 -0.89 2.34 -1.26 -5.10 118.68 116.98 1z8m s LEU 2 Ca 0.00 -0.95 -0.16 0.00 0.06 0.00 0.00 54.13 53.08 1z8m s LEU 2 Cb 0.00 -0.47 0.03 0.00 -0.56 0.00 0.00 46.19 45.18 1z8m s LEU 2 CO 0.00 -0.24 1.22 1.17 -1.06 0.00 0.00 176.35 177.44 1z8m n LYS 3 N -0.01 0.70 -4.68 1.48 0.00 -1.26 -4.74 118.16 109.64 1z8m n LYS 3 Ca -0.11 0.30 -0.23 0.00 0.00 0.00 0.00 58.31 58.27 1z8m n LYS 3 Cb 0.59 -2.46 -0.15 0.00 0.00 0.00 0.00 35.03 33.01 1z8m n LYS 3 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1z8m s LEU 4 N -4.66 1.97 0.52 3.14 0.20 -1.17 -0.09 118.68 118.60 1z8m s LEU 4 Ca 0.78 -0.27 0.01 0.00 0.69 0.00 0.00 54.13 55.34 1z8m s LEU 4 Cb -0.34 -0.78 -0.01 0.00 -0.43 0.00 0.00 46.19 44.63 1z8m s LEU 4 CO 0.45 0.16 0.02 0.21 -0.29 0.00 0.00 176.35 176.90 1z8m s ASN 5 N -0.19 4.17 -0.13 3.68 2.47 -0.39 -4.92 114.94 119.63 1z8m s ASN 5 Ca 0.03 -1.66 -0.05 0.00 0.42 0.00 0.00 52.86 51.59 1z8m s ASN 5 Cb -0.07 0.59 0.06 0.00 -1.45 0.00 0.00 41.25 40.38 1z8m s ASN 5 CO 0.00 -0.89 0.27 -0.76 -3.72 0.00 0.00 177.10 171.99 1z8m s LEU 6 N -3.91 -0.13 0.41 3.21 1.02 -1.26 -2.63 118.68 115.38 1z8m s LEU 6 Ca 0.04 0.60 0.08 0.00 0.02 0.00 0.00 54.13 54.87 1z8m s LEU 6 Cb 0.01 0.75 -0.01 0.00 0.02 0.00 0.00 46.19 46.96 1z8m s LEU 6 CO 0.02 -0.22 0.47 -0.54 0.02 0.00 0.00 176.35 176.10 1z8m s LYS 7 N 2.11 2.73 0.13 1.70 1.02 -1.22 -4.96 119.74 121.25 1z8m s LYS 7 Ca -0.02 -1.35 -0.15 0.00 0.02 0.00 0.00 55.97 54.48 1z8m s LYS 7 Cb -0.11 -2.59 -0.01 0.00 -0.52 0.00 0.00 37.83 34.59 1z8m s LYS 7 CO -0.09 -0.19 1.59 -0.22 -0.92 0.00 0.00 175.35 175.52 1z8m h LYS 8 N 0.86 0.71 -0.12 1.68 3.64 -1.92 -2.20 116.57 119.21 1z8m h LYS 8 Ca -0.41 -0.21 0.04 0.00 -1.27 0.00 0.00 60.65 58.79 1z8m h LYS 8 Cb 1.27 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1z8m h LYS 8 CO 0.51 0.78 0.09 0.77 -2.27 0.00 0.00 179.45 179.33 1z8m h SER 9 N 0.55 0.00 0.07 4.20 0.02 -1.97 -1.89 113.55 114.53 1z8m h SER 9 Ca 0.12 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.82 1z8m h SER 9 Cb 0.44 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.00 1z8m h SER 9 CO 0.02 0.00 -1.00 0.15 -1.14 0.00 0.00 176.83 174.86 1z8m h PHE 10 N 0.00 0.88 -0.52 3.45 3.57 -0.79 -1.44 116.94 122.09 1z8m h PHE 10 Ca 0.06 -0.52 0.02 0.00 3.53 0.00 0.00 57.97 61.06 1z8m h PHE 10 Cb 0.24 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 1z8m h PHE 10 CO 0.00 1.37 0.32 1.96 -2.23 0.00 0.00 178.31 179.72 1z8m h GLN 11 N 0.14 0.61 -0.08 1.11 4.20 -0.75 -2.49 115.11 117.85 1z8m h GLN 11 Ca -0.14 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.42 1z8m h GLN 11 Cb 1.69 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 29.34 1z8m h GLN 11 CO 0.19 0.40 -0.39 0.87 -0.67 0.00 0.00 178.83 179.24 1z8m h LYS 12 N 0.63 0.40 -0.62 1.46 1.79 -1.48 -1.80 116.57 116.95 1z8m h LYS 12 Ca 0.21 -0.33 0.18 0.00 -2.18 0.00 0.00 60.65 58.53 1z8m h LYS 12 Cb 0.01 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.71 1z8m h LYS 12 CO -0.09 0.97 0.67 -0.44 -1.08 0.00 0.00 179.45 179.48 1z8m h ASP 13 N -0.07 0.00 0.00 0.86 5.19 -1.07 1.80 116.42 123.13 1z8m h ASP 13 Ca -0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1z8m h ASP 13 Cb 1.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.55 1z8m h ASP 13 CO 0.08 0.00 0.00 0.33 -3.12 0.00 0.00 179.24 176.53 1z8m n PHE 14 N -3.60 0.00 -0.24 4.55 7.35 -0.96 -3.45 117.46 121.12 1z8m n PHE 14 Ca 0.12 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 56.86 1z8m n PHE 14 Cb 0.89 -0.16 0.17 0.00 0.35 0.00 0.00 39.48 40.73 1z8m n PHE 14 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1z8m h ASP 15 N 0.00 0.15 0.87 -2.13 1.82 -1.11 0.49 116.42 116.51 1z8m h ASP 15 Ca 0.00 0.12 0.00 0.00 -0.39 0.00 0.00 57.03 56.76 1z8m h ASP 15 Cb 0.00 0.13 0.00 0.00 0.68 0.00 0.00 39.33 40.14 1z8m h ASP 15 CO 0.00 0.05 0.00 1.17 -1.61 0.00 0.00 179.24 178.85 1z8m n LYS 16 N -5.07 0.16 -0.09 0.28 3.00 0.61 -2.79 118.16 114.26 1z8m n LYS 16 Ca 0.13 0.31 -0.16 0.00 -0.00 0.00 0.00 58.31 58.59 1z8m n LYS 16 Cb 0.40 -1.76 -0.08 0.00 0.00 0.00 0.00 35.03 33.59 1z8m n LYS 16 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1z8m n LEU 17 N -2.06 1.84 -0.21 3.14 4.77 0.14 -3.71 117.00 120.91 1z8m n LEU 17 Ca 0.03 0.49 0.20 0.00 -0.03 0.00 0.00 56.01 56.71 1z8m n LEU 17 Cb 0.27 -0.93 0.55 0.00 -2.33 0.00 0.00 43.42 40.98 1z8m n LEU 17 CO 0.22 0.02 1.22 -0.07 -1.33 0.00 0.00 177.39 177.45 1z8m h LEU 18 N -1.00 0.32 -1.74 2.23 3.38 -0.64 0.78 115.31 118.64 1z8m h LEU 18 Ca -0.24 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1z8m h LEU 18 Cb 1.04 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1z8m h LEU 18 CO -0.14 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.52 1z8m n LEU 19 N -4.47 2.56 -0.05 1.67 -0.00 -1.12 -3.68 117.00 111.92 1z8m n LEU 19 Ca 0.18 -1.29 0.03 0.00 -0.00 0.00 0.00 56.01 54.93 1z8m n LEU 19 Cb 0.71 -0.39 0.04 0.00 -0.00 0.00 0.00 43.42 43.78 1z8m n LEU 19 CO 0.32 0.48 0.47 0.59 -0.00 0.00 0.00 177.39 179.25 1z8m n ASN 20 N 0.49 1.71 0.00 1.45 5.03 0.27 -4.96 115.26 119.25 1z8m n ASN 20 Ca 0.13 -2.16 0.00 0.00 0.87 0.00 0.00 54.58 53.42 1z8m n ASN 20 Cb 0.48 -0.13 0.00 0.00 -1.02 0.00 0.00 39.78 39.11 1z8m n ASN 20 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1z8m n GLY 21 N -0.66 1.93 3.32 7.41 0.00 -1.15 -5.04 105.19 111.00 1z8m n GLY 21 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1z8m n GLY 21 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1z8m s PHE 22 N -2.00 3.03 -0.00 1.61 2.19 -1.10 -5.02 117.98 116.69 1z8m s PHE 22 Ca 0.00 -0.96 -0.31 0.00 0.33 0.00 0.00 56.93 55.99 1z8m s PHE 22 Cb 0.00 -2.15 -0.10 0.00 -1.31 0.00 0.00 43.02 39.46 1z8m s PHE 22 CO 0.00 -0.55 1.95 -3.47 1.83 0.00 0.00 175.22 174.98 1z8m n ASP 23 N 4.81 3.96 0.19 6.13 -0.08 -1.26 -4.36 116.55 125.94 1z8m n ASP 23 Ca -0.17 0.91 0.03 0.00 -1.51 0.00 0.00 54.79 54.06 1z8m n ASP 23 Cb 0.50 -1.48 0.39 0.00 2.34 0.00 0.00 41.12 42.87 1z8m n ASP 23 CO 0.00 0.00 0.00 -2.24 0.12 0.00 0.00 177.20 175.08 1z8m h ASP 24 N 10.27 0.03 -0.21 1.67 2.03 -1.97 -2.53 116.42 125.71 1z8m h ASP 24 Ca -0.49 -0.01 0.06 0.00 -0.73 0.00 0.00 57.03 55.86 1z8m h ASP 24 Cb 1.25 -0.01 -0.01 0.00 -0.83 0.00 0.00 39.33 39.73 1z8m h ASP 24 CO 0.94 0.33 0.18 0.77 -1.03 0.00 0.00 179.24 180.44 1z8m h SER 25 N 0.03 0.00 -0.07 4.15 4.64 -2.02 -1.10 113.55 119.19 1z8m h SER 25 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 1z8m h SER 25 Cb 0.55 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1z8m h SER 25 CO 0.04 0.00 -0.62 0.58 -0.87 0.00 0.00 176.83 175.96 1z8m h VAL 26 N 0.00 1.31 -0.51 0.95 2.07 -1.84 -3.13 116.25 115.10 1z8m h VAL 26 Ca 0.10 -1.86 0.01 0.00 0.82 0.00 0.00 66.70 65.77 1z8m h VAL 26 Cb 0.47 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 1z8m h VAL 26 CO -0.00 0.59 0.34 0.17 0.02 0.00 0.00 177.57 178.68 1z8m h LEU 27 N 0.50 0.57 -2.29 2.57 8.10 -1.31 -0.62 115.31 122.83 1z8m h LEU 27 Ca -0.01 -0.01 0.00 0.00 0.11 0.00 0.00 57.88 57.97 1z8m h LEU 27 Cb 1.20 -0.14 0.00 0.00 -0.44 0.00 0.00 40.66 41.28 1z8m h LEU 27 CO 0.12 0.41 0.00 -1.13 -4.11 0.00 0.00 178.44 173.73 1z8m h ASN 28 N 0.67 0.00 0.32 0.17 -0.73 -1.48 0.78 115.58 115.30 1z8m h ASN 28 Ca 0.19 0.00 -0.33 0.00 1.87 0.00 0.00 56.30 58.03 1z8m h ASN 28 Cb -0.04 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.52 1z8m h ASN 28 CO -0.04 0.00 -1.80 -0.33 -0.37 0.00 0.00 177.43 174.88 1z8m h GLU 29 N 0.00 0.17 0.01 6.67 5.08 -1.23 -3.20 114.58 122.09 1z8m h GLU 29 Ca 0.00 -0.30 -0.30 0.00 -1.00 0.00 0.00 59.36 57.76 1z8m h GLU 29 Cb 0.06 0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 1z8m h GLU 29 CO 0.00 0.95 -1.77 1.55 -1.00 0.00 0.00 179.01 178.74 1z8m n VAL 30 N -3.33 1.62 -0.03 3.13 3.14 -0.75 -4.10 118.33 118.01 1z8m n VAL 30 Ca -0.24 -0.78 -0.15 0.00 -2.96 0.00 0.00 64.34 60.21 1z8m n VAL 30 Cb 1.05 -1.09 -0.11 0.00 -1.06 0.00 0.00 33.84 32.63 1z8m n VAL 30 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1z8m h ILE 31 N 0.01 1.55 -0.10 1.55 5.03 0.35 -3.03 117.51 122.87 1z8m h ILE 31 Ca -0.31 -1.88 0.03 0.00 -0.12 0.00 0.00 64.86 62.57 1z8m h ILE 31 Cb 2.03 2.73 -0.00 0.00 -3.03 0.00 0.00 36.82 38.54 1z8m h ILE 31 CO 0.08 0.51 0.20 0.17 -0.68 0.00 0.00 178.15 178.43 1z8m h LEU 32 N -0.52 0.00 0.00 1.44 -0.00 -1.71 0.14 115.31 114.66 1z8m h LEU 32 Ca -0.02 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 57.67 1z8m h LEU 32 Cb 0.94 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.57 1z8m h LEU 32 CO 0.04 0.00 -1.16 0.74 -0.00 0.00 0.00 178.44 178.06 1z8m h THR 33 N 0.00 0.93 0.07 0.15 2.02 -1.70 -3.14 112.91 111.24 1z8m h THR 33 Ca 0.05 -2.51 -0.29 0.00 0.77 0.00 0.00 66.41 64.43 1z8m h THR 33 Cb 0.46 2.39 -0.02 0.00 -1.74 0.00 0.00 68.15 69.23 1z8m h THR 33 CO -0.00 0.53 -1.47 -0.07 0.37 0.00 0.00 175.52 174.88 1z8m h LEU 34 N 0.00 0.25 -3.17 2.58 3.38 -0.69 -3.32 115.31 114.34 1z8m h LEU 34 Ca -0.11 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.49 1z8m h LEU 34 Cb 1.66 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.33 1z8m h LEU 34 CO 0.08 1.29 0.02 0.54 0.09 0.00 0.00 178.44 180.46 1z8m n ARG 35 N -3.36 4.21 -0.47 1.13 1.74 -0.03 -4.14 116.66 115.74 1z8m n ARG 35 Ca -0.14 -2.65 0.06 0.00 -0.77 0.00 0.00 57.85 54.36 1z8m n ARG 35 Cb 1.02 -2.14 0.19 0.00 -1.02 0.00 0.00 32.46 30.51 1z8m n ARG 35 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1z8m n LYS 36 N 0.48 1.55 -3.18 5.56 4.76 -1.19 -4.97 118.16 121.18 1z8m n LYS 36 Ca 0.24 -3.10 -0.21 0.00 -2.87 0.00 0.00 58.31 52.38 1z8m n LYS 36 Cb 1.07 -1.61 -0.04 0.00 -1.84 0.00 0.00 35.03 32.61 1z8m n LYS 36 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1z8m n LYS 37 N -1.19 -1.46 -3.98 1.97 -0.00 -1.26 -4.87 118.16 107.37 1z8m n LYS 37 Ca 0.19 0.07 -0.35 0.00 -0.00 0.00 0.00 58.31 58.22 1z8m n LYS 37 Cb 0.71 -3.62 -0.09 0.00 -0.00 0.00 0.00 35.03 32.03 1z8m n LYS 37 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 1z8m s GLU 38 N -5.11 3.82 0.24 -1.58 2.12 -1.26 -3.27 118.70 113.66 1z8m s GLU 38 Ca 0.40 -0.29 -0.30 0.00 0.36 0.00 0.00 54.97 55.14 1z8m s GLU 38 Cb -0.23 -3.20 -0.09 0.00 0.26 0.00 0.00 34.13 30.87 1z8m s GLU 38 CO 0.49 0.41 1.10 -1.25 -0.54 0.00 0.00 175.26 175.48 1z8m s PRO 39 N -0.00 4.62 -0.00 4.30 0.04 -1.26 -4.73 135.00 137.96 1z8m s PRO 39 Ca 0.07 1.78 -0.21 0.00 0.04 0.00 0.00 61.00 62.68 1z8m s PRO 39 Cb -0.12 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.15 1z8m s PRO 39 CO 0.01 0.15 0.62 -0.51 0.04 0.00 0.00 177.00 177.31 1z8m s LEU 40 N -1.01 4.41 0.71 -3.56 1.43 -1.26 -5.05 118.68 114.35 1z8m s LEU 40 Ca 0.47 1.19 -0.16 0.00 -1.03 0.00 0.00 54.13 54.60 1z8m s LEU 40 Cb -0.31 -2.97 0.03 0.00 0.03 0.00 0.00 46.19 42.97 1z8m s LEU 40 CO 0.39 0.07 1.23 -1.81 0.23 0.00 0.00 176.35 176.46 1z8m s ASP 41 N -0.09 4.30 0.00 2.29 1.01 -1.26 -4.89 116.67 118.03 1z8m s ASP 41 Ca 0.32 2.43 0.16 0.00 0.71 0.00 0.00 52.55 56.17 1z8m s ASP 41 Cb -0.18 -2.60 0.72 0.00 1.01 0.00 0.00 42.92 41.87 1z8m s ASP 41 CO 0.18 -2.20 1.48 -0.81 0.21 0.00 0.00 175.17 174.03 1z8m n PRO 42 N -2.49 0.09 -0.08 8.23 -0.04 -1.26 -2.52 135.00 136.94 1z8m n PRO 42 Ca 0.14 0.19 0.07 0.00 -0.04 0.00 0.00 63.50 63.87 1z8m n PRO 42 Cb 0.50 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.75 1z8m n PRO 42 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1z8m n GLN 43 N -1.41 1.49 -0.17 0.54 -0.00 -1.26 -3.68 117.38 112.88 1z8m n GLN 43 Ca 0.05 -0.75 0.07 0.00 -0.00 0.00 0.00 57.00 56.37 1z8m n GLN 43 Cb 0.16 -1.28 0.20 0.00 -0.00 0.00 0.00 30.24 29.32 1z8m n GLN 43 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1z8m n PHE 44 N 0.03 0.46 -3.69 2.61 3.72 -1.05 -4.91 117.46 114.63 1z8m n PHE 44 Ca 0.12 -0.23 -0.25 0.00 -0.05 0.00 0.00 57.45 57.04 1z8m n PHE 44 Cb 0.22 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.82 1z8m n PHE 44 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1z8m n GLN 45 N 0.56 -7.07 -2.86 -1.08 1.13 -1.24 -1.84 117.38 104.98 1z8m n GLN 45 Ca 0.13 0.75 -0.43 0.00 -1.94 0.00 0.00 57.00 55.51 1z8m n GLN 45 Cb 0.32 -5.74 -0.02 0.00 0.11 0.00 0.00 30.24 24.91 1z8m n GLN 45 CO 0.00 0.00 0.00 0.16 -1.44 0.00 0.00 177.06 175.78 1z8m s ASP 46 N -3.42 6.75 0.07 1.08 -4.77 -1.26 -4.32 116.67 110.80 1z8m s ASP 46 Ca 0.56 -2.26 0.02 0.00 -3.30 0.00 0.00 52.55 47.57 1z8m s ASP 46 Cb -0.26 -2.44 -0.01 0.00 -1.09 0.00 0.00 42.92 39.13 1z8m s ASP 46 CO 0.76 -1.05 0.06 1.41 0.70 0.00 0.00 175.17 177.06 1z8m n HIS 47 N 6.76 -0.16 -2.41 2.11 8.25 -1.22 -4.91 115.22 123.64 1z8m n HIS 47 Ca 0.31 -0.58 -0.35 0.00 -0.26 0.00 0.00 57.72 56.84 1z8m n HIS 47 Cb 0.47 0.06 -0.02 0.00 1.12 0.00 0.00 29.99 31.62 1z8m n HIS 47 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1z8m s ALA 48 N -2.28 2.87 0.86 -1.41 0.00 -1.26 0.76 121.76 121.30 1z8m s ALA 48 Ca 0.08 0.74 -0.10 0.00 0.00 0.00 0.00 51.96 52.69 1z8m s ALA 48 Cb 0.00 -3.31 0.17 0.00 0.00 0.00 0.00 23.12 19.98 1z8m s ALA 48 CO 0.06 -0.49 1.19 -0.51 0.00 0.00 0.00 175.76 176.01 1z8m s LEU 49 N -3.37 2.81 0.21 0.00 1.02 -1.18 -4.75 118.68 113.43 1z8m s LEU 49 Ca 0.67 0.03 0.09 0.00 0.02 0.00 0.00 54.13 54.94 1z8m s LEU 49 Cb -0.21 -2.20 -0.04 0.00 0.02 0.00 0.00 46.19 43.75 1z8m s LEU 49 CO 0.26 -2.37 -0.04 -0.54 0.02 0.00 0.00 176.35 173.68 1z8m s LYS 50 N -5.58 2.22 2.87 1.70 -0.14 -1.26 -3.93 119.74 115.62 1z8m s LYS 50 Ca 0.71 -1.30 0.00 0.00 -1.36 0.00 0.00 55.97 54.02 1z8m s LYS 50 Cb -0.05 -2.20 0.00 0.00 -1.68 0.00 0.00 37.83 33.91 1z8m s LYS 50 CO 0.49 0.41 0.00 0.41 -0.76 0.00 0.00 175.35 175.90 1z8m n GLY 51 N -0.37 0.65 0.07 -3.33 0.00 -1.26 -3.82 105.19 97.12 1z8m n GLY 51 Ca -0.09 -1.08 0.13 0.00 0.00 0.00 0.00 46.02 44.98 1z8m n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1z8m n LYS 52 N 6.03 0.23 -0.80 1.61 4.76 -1.26 -3.59 118.16 125.14 1z8m n LYS 52 Ca 0.00 0.12 -0.04 0.00 -2.87 0.00 0.00 58.31 55.52 1z8m n LYS 52 Cb 0.00 -1.70 0.25 0.00 -1.84 0.00 0.00 35.03 31.74 1z8m n LYS 52 CO 0.00 0.00 0.00 0.91 -1.37 0.00 0.00 177.40 176.94 1z8m n TRP 53 N -2.05 1.92 0.00 2.13 5.03 -1.25 -4.49 117.44 118.73 1z8m n TRP 53 Ca 0.05 -0.94 -0.11 0.00 3.03 0.00 0.00 57.50 59.52 1z8m n TRP 53 Cb 0.42 -0.57 -0.06 0.00 -1.03 0.00 0.00 31.31 30.07 1z8m n TRP 53 CO 0.00 0.00 0.00 -0.22 -0.03 0.00 0.00 177.69 177.44 1z8m h LYS 54 N 2.22 0.11 0.00 -0.99 1.63 -1.68 -2.12 116.57 115.74 1z8m h LYS 54 Ca 0.19 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 1z8m h LYS 54 Cb 1.97 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 33.57 1z8m h LYS 54 CO 0.57 0.11 0.11 -1.35 -3.45 0.00 0.00 179.45 175.43 1z8m h PRO 55 N 0.08 0.00 -6.99 1.90 0.11 -1.87 -3.36 132.00 121.86 1z8m h PRO 55 Ca 0.03 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.68 1z8m h PRO 55 Cb 0.02 0.00 0.07 0.00 0.11 0.00 0.00 31.00 31.20 1z8m h PRO 55 CO -0.01 0.00 0.05 -0.06 -0.21 0.00 0.00 178.00 177.77 1z8m s PHE 56 N -3.73 1.81 -0.02 0.65 0.40 -0.80 -4.90 117.98 111.39 1z8m s PHE 56 Ca -0.03 -0.29 0.03 0.00 -0.60 0.00 0.00 56.93 56.04 1z8m s PHE 56 Cb 0.08 -2.84 -0.00 0.00 0.51 0.00 0.00 43.02 40.77 1z8m s PHE 56 CO 0.24 -1.47 -0.09 0.50 0.70 0.00 0.00 175.22 175.10 1z8m s ARG 57 N -5.00 0.89 0.61 0.44 3.52 -0.31 -3.10 118.95 116.00 1z8m s ARG 57 Ca 0.64 -0.33 0.04 0.00 -0.13 0.00 0.00 55.73 55.95 1z8m s ARG 57 Cb -0.06 -0.84 0.09 0.00 -1.56 0.00 0.00 34.95 32.57 1z8m s ARG 57 CO 0.42 0.16 0.85 -2.00 -0.81 0.00 0.00 175.30 173.92 1z8m s GLU 58 N -0.02 2.14 -0.30 5.12 2.12 0.23 0.42 118.70 128.42 1z8m s GLU 58 Ca 0.00 -1.28 -0.08 0.00 0.36 0.00 0.00 54.97 53.98 1z8m s GLU 58 Cb -0.06 -2.51 0.18 0.00 0.26 0.00 0.00 34.13 32.00 1z8m s GLU 58 CO 0.00 -1.01 0.89 0.00 -0.54 0.00 0.00 175.26 174.60 1z8m n HIS 60 N 5.39 4.45 0.19 0.00 8.25 -0.77 0.19 115.22 132.93 1z8m n HIS 60 Ca -0.01 -3.29 0.13 0.00 -0.26 0.00 0.00 57.72 54.28 1z8m n HIS 60 Cb 0.54 -2.00 0.70 0.00 1.12 0.00 0.00 29.99 30.36 1z8m n HIS 60 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 1z8m h ILE 61 N 4.21 0.82 -4.44 1.59 5.03 -1.80 -3.44 117.51 119.48 1z8m h ILE 61 Ca 0.30 0.00 -0.25 0.00 -0.12 0.00 0.00 64.86 64.79 1z8m h ILE 61 Cb 0.81 0.91 -0.15 0.00 -3.03 0.00 0.00 36.82 35.36 1z8m h ILE 61 CO 1.29 0.00 -0.62 -0.54 -0.68 0.00 0.00 178.15 177.60 1z8m s LYS 62 N -4.96 1.21 0.00 2.37 1.02 -1.26 -5.02 119.74 113.10 1z8m s LYS 62 Ca -0.05 -1.63 0.17 0.00 0.02 0.00 0.00 55.97 54.48 1z8m s LYS 62 Cb 0.17 0.18 0.93 0.00 -0.52 0.00 0.00 37.83 38.59 1z8m s LYS 62 CO 0.66 -0.36 1.44 -2.30 -0.92 0.00 0.00 175.35 173.87 1z8m n PRO 63 N -0.28 0.40 -1.19 -1.68 -0.02 -1.26 -2.63 135.00 128.34 1z8m n PRO 63 Ca 0.01 0.06 0.03 0.00 -2.02 0.00 0.00 63.50 61.58 1z8m n PRO 63 Cb 0.66 -1.50 0.02 0.00 -0.02 0.00 0.00 33.50 32.66 1z8m n PRO 63 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1z8m n ASP 64 N -1.12 0.74 -3.98 2.55 8.00 -1.26 -4.79 116.55 116.68 1z8m n ASP 64 Ca 0.11 -2.04 -0.09 0.00 0.71 0.00 0.00 54.79 53.48 1z8m n ASP 64 Cb 0.09 -0.28 -0.11 0.00 -0.02 0.00 0.00 41.12 40.80 1z8m n ASP 64 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1z8m s VAL 65 N -0.07 0.11 -0.36 2.53 1.01 -1.08 -3.60 120.40 118.94 1z8m s VAL 65 Ca 0.24 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.35 1z8m s VAL 65 Cb 0.28 -0.26 0.16 0.00 0.00 0.00 0.00 36.38 36.55 1z8m s VAL 65 CO -0.12 -0.50 0.38 -0.76 0.00 0.00 0.00 175.10 174.11 1z8m s LEU 66 N -1.45 -0.16 -0.22 3.92 1.43 -0.43 -4.07 118.68 117.70 1z8m s LEU 66 Ca -0.16 -1.44 -0.19 0.00 -1.03 0.00 0.00 54.13 51.31 1z8m s LEU 66 Cb -0.10 0.63 -0.03 0.00 0.03 0.00 0.00 46.19 46.72 1z8m s LEU 66 CO -0.01 -0.27 0.54 -0.22 0.23 0.00 0.00 176.35 176.62 1z8m s LEU 67 N 1.56 4.12 -0.16 1.79 2.96 0.13 -1.06 118.68 128.01 1z8m s LEU 67 Ca 0.16 0.66 -0.10 0.00 -0.22 0.00 0.00 54.13 54.63 1z8m s LEU 67 Cb -0.15 -2.73 -0.05 0.00 0.50 0.00 0.00 46.19 43.77 1z8m s LEU 67 CO -0.07 -0.23 0.17 -0.69 -1.32 0.00 0.00 176.35 174.21 1z8m s VAL 68 N 1.90 5.41 0.24 1.68 1.01 0.65 -0.57 120.40 130.72 1z8m s VAL 68 Ca 0.24 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.50 1z8m s VAL 68 Cb -0.15 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.71 1z8m s VAL 68 CO 0.09 0.49 0.20 -0.72 0.00 0.00 0.00 175.10 175.16 1z8m s TYR 69 N -0.11 1.25 -0.06 5.22 -0.85 0.17 -0.44 117.35 122.54 1z8m s TYR 69 Ca 0.12 -1.41 0.05 0.00 -0.52 0.00 0.00 57.07 55.32 1z8m s TYR 69 Cb -0.12 -0.54 -0.01 0.00 0.38 0.00 0.00 41.96 41.67 1z8m s TYR 69 CO 0.01 -0.73 -0.22 -1.17 -1.52 0.00 0.00 175.55 171.92 1z8m s LEU 70 N -3.21 2.23 0.59 -3.49 2.96 0.76 -1.16 118.68 117.38 1z8m s LEU 70 Ca 0.38 -0.44 -0.11 0.00 -0.22 0.00 0.00 54.13 53.74 1z8m s LEU 70 Cb 0.05 -1.42 -0.04 0.00 0.50 0.00 0.00 46.19 45.28 1z8m s LEU 70 CO 0.16 0.26 1.00 0.54 -1.32 0.00 0.00 176.35 176.99 1z8m s VAL 71 N -0.26 4.71 0.05 1.68 0.11 -1.26 -1.94 120.40 123.49 1z8m s VAL 71 Ca -0.00 0.86 -0.05 0.00 -2.93 0.00 0.00 61.98 59.85 1z8m s VAL 71 Cb -0.13 -3.85 -0.01 0.00 -1.53 0.00 0.00 36.38 30.86 1z8m s VAL 71 CO 0.03 -1.06 0.09 -0.75 -3.33 0.00 0.00 175.10 170.08 1z8m s LYS 72 N -5.00 0.64 0.51 1.54 2.47 -0.07 -4.90 119.74 114.93 1z8m s LYS 72 Ca 0.55 -0.86 0.43 0.00 -1.56 0.00 0.00 55.97 54.52 1z8m s LYS 72 Cb -0.11 0.25 1.63 0.00 -1.46 0.00 0.00 37.83 38.14 1z8m s LYS 72 CO 0.50 -0.16 1.60 -0.44 0.16 0.00 0.00 175.35 177.01 1z8m h ASP 73 N 3.42 0.08 0.00 1.43 5.19 -2.04 -3.07 116.42 121.43 1z8m h ASP 73 Ca -0.33 0.06 -0.10 0.00 -0.62 0.00 0.00 57.03 56.03 1z8m h ASP 73 Cb 1.18 0.06 -0.10 0.00 0.18 0.00 0.00 39.33 40.65 1z8m h ASP 73 CO 0.54 -0.09 -0.20 -0.67 -3.12 0.00 0.00 179.24 175.70 1z8m n ASP 74 N -4.25 -0.84 -3.67 6.45 2.03 -1.26 -5.15 116.55 109.87 1z8m n ASP 74 Ca 0.41 -1.60 -0.10 0.00 0.52 0.00 0.00 54.79 54.03 1z8m n ASP 74 Cb 1.79 0.32 -0.03 0.00 -0.72 0.00 0.00 41.12 42.47 1z8m n ASP 74 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1z8m s GLU 75 N 0.03 1.35 -0.02 -0.67 8.01 -1.16 -4.43 118.70 121.82 1z8m s GLU 75 Ca 0.02 -0.77 0.06 0.00 0.01 0.00 0.00 54.97 54.29 1z8m s GLU 75 Cb 0.12 0.54 -0.01 0.00 -4.31 0.00 0.00 34.13 30.46 1z8m s GLU 75 CO -0.03 -0.58 -0.18 -1.17 0.01 0.00 0.00 175.26 173.31 1z8m s LEU 76 N -2.84 2.03 -0.06 1.80 2.96 0.88 -0.89 118.68 122.55 1z8m s LEU 76 Ca 0.07 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.67 1z8m s LEU 76 Cb -0.01 -0.95 0.01 0.00 0.50 0.00 0.00 46.19 45.75 1z8m s LEU 76 CO -0.05 0.22 -0.11 0.27 -1.32 0.00 0.00 176.35 175.35 1z8m s ILE 77 N -0.39 1.06 0.42 6.68 -5.25 -0.82 -1.26 121.20 121.64 1z8m s ILE 77 Ca 0.06 -0.43 -0.24 0.00 -0.99 0.00 0.00 60.65 59.06 1z8m s ILE 77 Cb -0.07 -0.98 -0.08 0.00 2.95 0.00 0.00 42.46 44.27 1z8m s ILE 77 CO -0.00 0.34 1.09 -0.76 -1.79 0.00 0.00 174.94 173.81 1z8m s LEU 78 N 0.71 4.09 0.00 0.37 1.43 -1.08 -0.17 118.68 124.03 1z8m s LEU 78 Ca -0.14 2.13 0.00 0.00 -1.03 0.00 0.00 54.13 55.09 1z8m s LEU 78 Cb -0.16 -4.21 0.00 0.00 0.03 0.00 0.00 46.19 41.85 1z8m s LEU 78 CO 0.03 -0.65 0.00 -0.11 0.23 0.00 0.00 176.35 175.85 1z8m n LEU 79 N -0.24 0.00 -3.60 1.79 -0.00 0.41 -3.38 117.00 111.99 1z8m n LEU 79 Ca 0.06 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.95 1z8m n LEU 79 Cb 0.49 -0.16 -0.05 0.00 -0.00 0.00 0.00 43.42 43.70 1z8m n LEU 79 CO 0.46 -0.46 0.21 0.00 -0.00 0.00 0.00 177.39 177.60 1z8m s ARG 80 N -0.93 1.05 -0.11 1.96 3.03 -0.68 -1.16 118.95 122.11 1z8m s ARG 80 Ca 0.00 -0.49 -0.01 0.00 2.03 0.00 0.00 55.73 57.27 1z8m s ARG 80 Cb 0.00 0.47 -0.02 0.00 -1.03 0.00 0.00 34.95 34.37 1z8m s ARG 80 CO 0.00 -0.40 -0.09 -1.17 -1.13 0.00 0.00 175.30 172.52 1z8m s LEU 81 N -2.41 3.01 0.00 -1.89 1.98 -1.26 -0.25 118.68 117.86 1z8m s LEU 81 Ca -0.01 -0.17 0.00 0.00 -2.89 0.00 0.00 54.13 51.06 1z8m s LEU 81 Cb 0.00 -1.68 0.00 0.00 0.66 0.00 0.00 46.19 45.17 1z8m s LEU 81 CO -0.07 0.24 0.00 0.61 -1.89 0.00 0.00 176.35 175.24 1z8m n GLY 82 N 3.05 4.38 3.34 7.98 0.00 -0.22 -4.81 105.19 118.90 1z8m n GLY 82 Ca -0.18 -1.69 -0.10 0.00 0.00 0.00 0.00 46.02 44.05 1z8m n GLY 82 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1z8m s SER 83 N -0.58 -0.10 0.56 1.61 0.01 -1.26 -1.31 113.70 112.63 1z8m s SER 83 Ca 0.00 -0.56 0.26 0.00 1.31 0.00 0.00 55.95 56.96 1z8m s SER 83 Cb 0.00 0.46 1.48 0.00 0.21 0.00 0.00 66.02 68.17 1z8m s SER 83 CO 0.00 -0.88 2.04 -0.74 0.41 0.00 0.00 173.24 174.07 1z8m h HIS 84 N 2.46 0.00 0.00 2.43 2.76 -1.84 0.15 115.15 121.11 1z8m h HIS 84 Ca -0.32 0.00 -0.22 0.00 -2.20 0.00 0.00 60.37 57.63 1z8m h HIS 84 Cb 1.24 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.16 1z8m h HIS 84 CO 0.37 0.00 -1.51 0.77 -1.30 0.00 0.00 177.93 176.26 1z8m h SER 85 N 0.00 0.00 0.00 3.26 0.02 -1.87 -2.87 113.55 112.09 1z8m h SER 85 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1z8m h SER 85 Cb 0.73 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1z8m h SER 85 CO -0.00 0.74 0.00 -0.62 -1.14 0.00 0.00 176.83 175.81 1z8m n GLU 86 N -2.96 0.00 -0.05 3.45 4.71 0.14 -4.39 120.64 121.54 1z8m n GLU 86 Ca -0.12 0.45 -0.08 0.00 -0.01 0.00 0.00 57.16 57.40 1z8m n GLU 86 Cb 0.92 -0.98 0.08 0.00 -1.01 0.00 0.00 31.44 30.46 1z8m n GLU 86 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1z8m h LEU 87 N 0.00 0.73 -1.74 -4.62 3.38 -1.06 -3.47 115.31 108.53 1z8m h LEU 87 Ca 0.00 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1z8m h LEU 87 Cb 0.00 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1z8m h LEU 87 CO 0.00 1.00 0.00 0.49 0.09 0.00 0.00 178.44 180.02