#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z8m n LEU 2 N 0.00 -0.87 -4.92 4.03 4.32 -1.26 -4.89 117.00 113.42 1z8m n LEU 2 Ca 0.00 1.98 -0.30 0.00 -0.02 0.00 0.00 56.01 57.68 1z8m n LEU 2 Cb 0.00 -4.55 -0.04 0.00 -1.62 0.00 0.00 43.42 37.22 1z8m n LEU 2 CO 0.00 -2.94 -0.04 -0.75 -1.22 0.00 0.00 177.39 172.45 1z8m s LYS 3 N -3.27 3.52 0.02 3.23 2.36 -1.26 -4.86 119.74 119.47 1z8m s LYS 3 Ca 0.00 -0.31 0.06 0.00 -2.55 0.00 0.00 55.97 53.17 1z8m s LYS 3 Cb 0.00 -2.91 -0.03 0.00 -1.05 0.00 0.00 37.83 33.84 1z8m s LYS 3 CO 0.00 0.50 -0.18 -1.17 1.55 0.00 0.00 175.35 176.05 1z8m s LEU 4 N -2.86 2.59 0.00 5.43 0.20 -1.19 0.13 118.68 122.99 1z8m s LEU 4 Ca 0.38 -0.38 0.01 0.00 0.69 0.00 0.00 54.13 54.83 1z8m s LEU 4 Cb -0.12 -1.52 -0.00 0.00 -0.43 0.00 0.00 46.19 44.12 1z8m s LEU 4 CO 0.27 0.28 0.04 -3.20 -0.29 0.00 0.00 176.35 173.45 1z8m n ASN 5 N 1.77 2.45 -3.65 3.68 2.85 -0.63 -4.93 115.26 116.79 1z8m n ASN 5 Ca -0.16 -2.73 -0.19 0.00 -0.11 0.00 0.00 54.58 51.38 1z8m n ASN 5 Cb 0.52 0.46 -0.16 0.00 1.24 0.00 0.00 39.78 41.84 1z8m n ASN 5 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1z8m s LEU 6 N 0.00 0.03 0.58 1.20 1.43 -1.26 -3.66 118.68 117.00 1z8m s LEU 6 Ca 0.06 0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.31 1z8m s LEU 6 Cb 0.00 0.10 0.07 0.00 0.03 0.00 0.00 46.19 46.39 1z8m s LEU 6 CO 0.04 -0.26 0.81 -0.54 0.23 0.00 0.00 176.35 176.62 1z8m s LYS 7 N 2.24 2.29 0.06 1.70 -0.14 -1.07 -4.99 119.74 119.84 1z8m s LYS 7 Ca 0.04 -1.14 -0.16 0.00 -1.36 0.00 0.00 55.97 53.35 1z8m s LYS 7 Cb -0.13 -2.52 -0.19 0.00 -1.68 0.00 0.00 37.83 33.31 1z8m s LYS 7 CO -0.06 -0.88 1.23 0.87 -0.76 0.00 0.00 175.35 175.75 1z8m h LYS 8 N 0.02 0.63 -0.08 1.68 1.57 -1.89 -2.43 116.57 116.07 1z8m h LYS 8 Ca -0.37 -0.56 -0.07 0.00 -1.87 0.00 0.00 60.65 57.77 1z8m h LYS 8 Cb 1.28 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.71 1z8m h LYS 8 CO 0.45 1.18 -0.30 0.66 -0.57 0.00 0.00 179.45 180.87 1z8m h SER 9 N 0.28 0.14 0.44 0.86 4.64 -1.95 -2.66 113.55 115.30 1z8m h SER 9 Ca -0.06 -0.04 -0.19 0.00 -0.47 0.00 0.00 61.79 61.02 1z8m h SER 9 Cb 1.36 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 1z8m h SER 9 CO 0.14 0.44 -0.83 0.15 -0.87 0.00 0.00 176.83 175.87 1z8m h PHE 10 N 0.13 0.41 -0.60 4.77 3.57 -1.21 -1.76 116.94 122.25 1z8m h PHE 10 Ca 0.02 -0.21 -0.07 0.00 3.53 0.00 0.00 57.97 61.24 1z8m h PHE 10 Cb 0.59 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 1z8m h PHE 10 CO 0.01 0.99 0.08 1.96 -2.23 0.00 0.00 178.31 179.12 1z8m h GLN 11 N 0.18 0.98 0.00 1.11 4.20 -1.10 0.72 115.11 121.19 1z8m h GLN 11 Ca -0.04 -0.25 -0.13 0.00 0.06 0.00 0.00 58.65 58.28 1z8m h GLN 11 Cb 1.43 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 29.07 1z8m h GLN 11 CO 0.13 0.92 -0.72 1.57 -0.67 0.00 0.00 178.83 180.06 1z8m h LYS 12 N 0.92 0.00 0.00 1.46 2.10 -1.50 -2.65 116.57 116.90 1z8m h LYS 12 Ca 0.18 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.83 1z8m h LYS 12 Cb 0.43 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.76 1z8m h LYS 12 CO 0.01 0.54 -0.72 -0.25 -2.00 0.00 0.00 179.45 177.03 1z8m n ASP 13 N -3.19 0.62 -0.06 7.07 8.00 -0.66 -0.81 116.55 127.52 1z8m n ASP 13 Ca -0.00 -0.09 -0.04 0.00 0.71 0.00 0.00 54.79 55.37 1z8m n ASP 13 Cb 0.78 0.38 -0.01 0.00 -0.02 0.00 0.00 41.12 42.25 1z8m n ASP 13 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1z8m n PHE 14 N -1.90 0.63 -0.04 1.24 -0.00 0.25 -4.13 117.46 113.51 1z8m n PHE 14 Ca 0.03 0.27 -0.22 0.00 -0.00 0.00 0.00 57.45 57.54 1z8m n PHE 14 Cb 0.41 -0.63 -0.13 0.00 -0.00 0.00 0.00 39.48 39.14 1z8m n PHE 14 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 1z8m n ASP 15 N -4.12 2.03 0.18 -2.13 2.03 -1.00 -3.91 116.55 109.62 1z8m n ASP 15 Ca -0.07 0.27 0.14 0.00 0.52 0.00 0.00 54.79 55.65 1z8m n ASP 15 Cb 0.24 -0.87 0.49 0.00 -0.72 0.00 0.00 41.12 40.26 1z8m n ASP 15 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1z8m h LYS 16 N -0.32 0.00 0.04 -0.67 1.57 -1.51 -2.91 116.57 112.77 1z8m h LYS 16 Ca -0.42 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.10 1z8m h LYS 16 Cb 1.78 0.00 0.01 0.00 0.08 0.00 0.00 32.23 34.10 1z8m h LYS 16 CO -0.04 0.00 -1.08 1.25 -0.57 0.00 0.00 179.45 179.01 1z8m h LEU 17 N 0.00 0.71 -1.06 2.94 5.85 -1.13 -2.50 115.31 120.12 1z8m h LEU 17 Ca 0.00 -0.61 -0.09 0.00 0.84 0.00 0.00 57.88 58.02 1z8m h LEU 17 Cb 0.57 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1z8m h LEU 17 CO 0.00 1.42 -0.28 -0.07 -0.34 0.00 0.00 178.44 179.17 1z8m h LEU 18 N 0.27 0.32 -0.26 2.25 3.38 -1.63 -2.40 115.31 117.24 1z8m h LEU 18 Ca -0.13 -0.11 -0.21 0.00 0.09 0.00 0.00 57.88 57.53 1z8m h LEU 18 Cb 1.74 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 42.40 1z8m h LEU 18 CO 0.20 0.60 -0.85 -0.07 0.09 0.00 0.00 178.44 178.41 1z8m h LEU 19 N 0.29 0.52 -2.13 1.67 3.38 -1.53 -2.81 115.31 114.70 1z8m h LEU 19 Ca 0.04 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 1z8m h LEU 19 Cb 0.65 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 1z8m h LEU 19 CO 0.05 1.16 -0.06 0.78 0.09 0.00 0.00 178.44 180.46 1z8m h ASN 20 N 0.26 0.00 0.00 -0.43 -0.26 -1.22 -3.44 115.58 110.49 1z8m h ASN 20 Ca -0.06 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.68 1z8m h ASN 20 Cb 1.47 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.73 1z8m h ASN 20 CO 0.15 0.06 0.00 0.61 -1.06 0.00 0.00 177.43 177.19 1z8m n GLY 21 N -0.68 0.35 3.26 2.83 0.00 -1.12 -5.11 105.19 104.71 1z8m n GLY 21 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.62 1.87 -0.03 1.61 2.19 -0.93 -4.99 117.98 117.08 1z8m s PHE 22 Ca 0.00 -0.38 -0.30 0.00 0.33 0.00 0.00 56.93 56.58 1z8m s PHE 22 Cb 0.00 -1.13 -0.05 0.00 -1.31 0.00 0.00 43.02 40.53 1z8m s PHE 22 CO 0.00 0.08 1.50 0.34 1.83 0.00 0.00 175.22 178.98 1z8m s ASP 23 N -1.11 6.77 0.21 6.13 2.15 -1.26 -4.23 116.67 125.33 1z8m s ASP 23 Ca 0.08 2.14 0.11 0.00 0.43 0.00 0.00 52.55 55.32 1z8m s ASP 23 Cb -0.09 -2.55 0.01 0.00 -0.30 0.00 0.00 42.92 39.99 1z8m s ASP 23 CO 0.02 -0.82 1.40 -2.24 -0.17 0.00 0.00 175.17 173.36 1z8m h ASP 24 N 8.56 0.00 0.45 -0.34 2.03 -1.95 -3.34 116.42 121.83 1z8m h ASP 24 Ca -0.37 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 55.91 1z8m h ASP 24 Cb 1.17 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 1z8m h ASP 24 CO 0.93 0.72 -0.21 -1.28 -1.03 0.00 0.00 179.24 178.37 1z8m h SER 25 N 0.00 -0.51 -0.90 4.15 0.87 -2.01 -2.98 113.55 112.17 1z8m h SER 25 Ca -0.01 -0.09 0.26 0.00 -1.23 0.00 0.00 61.79 60.72 1z8m h SER 25 Cb 1.50 0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 63.56 1z8m h SER 25 CO 0.09 -0.16 0.73 1.62 -0.53 0.00 0.00 176.83 178.58 1z8m h VAL 26 N -0.89 0.40 -0.06 2.23 3.04 -1.99 0.55 116.25 119.52 1z8m h VAL 26 Ca -0.06 0.00 -0.16 0.00 -1.01 0.00 0.00 66.70 65.47 1z8m h VAL 26 Cb 0.57 0.47 -0.01 0.00 -2.01 0.00 0.00 31.29 30.31 1z8m h VAL 26 CO 0.10 0.00 -0.67 0.17 -1.01 0.00 0.00 177.57 176.16 1z8m h LEU 27 N 0.00 0.31 -0.18 3.16 8.10 -1.64 -3.25 115.31 121.82 1z8m h LEU 27 Ca 0.43 -0.20 0.04 0.00 0.11 0.00 0.00 57.88 58.26 1z8m h LEU 27 Cb 1.88 -0.09 -0.04 0.00 -0.44 0.00 0.00 40.66 41.97 1z8m h LEU 27 CO -0.00 0.89 -0.09 -1.13 -4.11 0.00 0.00 178.44 174.00 1z8m h ASN 28 N 0.19 -0.31 -0.03 0.17 -1.24 0.21 0.02 115.58 114.59 1z8m h ASN 28 Ca -0.02 0.07 0.01 0.00 0.71 0.00 0.00 56.30 57.08 1z8m h ASN 28 Cb 1.21 0.17 -0.00 0.00 0.73 0.00 0.00 38.32 40.43 1z8m h ASN 28 CO 0.11 -0.12 0.05 -0.33 -1.29 0.00 0.00 177.43 175.84 1z8m h GLU 29 N -0.08 0.00 0.00 6.67 5.08 -1.59 -1.15 114.58 123.52 1z8m h GLU 29 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1z8m h GLU 29 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1z8m h GLU 29 CO -0.23 0.00 0.00 0.28 -1.00 0.00 0.00 179.01 178.06 1z8m n VAL 30 N -3.63 0.00 -0.11 3.13 0.31 -0.10 -3.20 118.33 114.73 1z8m n VAL 30 Ca -0.02 0.50 0.27 0.00 -0.01 0.00 0.00 64.34 65.08 1z8m n VAL 30 Cb 0.13 -1.31 0.70 0.00 -0.91 0.00 0.00 33.84 32.45 1z8m n VAL 30 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1z8m h ILE 31 N 0.00 0.35 -0.33 2.52 5.03 -1.30 0.46 117.51 124.24 1z8m h ILE 31 Ca 0.00 0.00 -0.11 0.00 -0.12 0.00 0.00 64.86 64.63 1z8m h ILE 31 Cb 0.00 0.47 -0.01 0.00 -3.03 0.00 0.00 36.82 34.24 1z8m h ILE 31 CO 0.00 0.00 -0.24 0.25 -0.68 0.00 0.00 178.15 177.48 1z8m h LEU 32 N 0.00 0.67 -1.05 1.44 6.46 -1.33 0.09 115.31 121.59 1z8m h LEU 32 Ca 0.38 -0.24 -0.08 0.00 -0.12 0.00 0.00 57.88 57.82 1z8m h LEU 32 Cb 1.79 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 41.52 1z8m h LEU 32 CO -0.00 0.89 -0.40 0.74 -0.62 0.00 0.00 178.44 179.04 1z8m h THR 33 N 0.58 1.05 0.00 1.05 2.02 -0.04 -2.66 112.91 114.91 1z8m h THR 33 Ca 0.08 -1.51 -0.28 0.00 0.77 0.00 0.00 66.41 65.47 1z8m h THR 33 Cb 0.72 1.87 -0.05 0.00 -1.74 0.00 0.00 68.15 68.95 1z8m h THR 33 CO 0.06 0.40 -1.68 0.18 0.37 0.00 0.00 175.52 174.84 1z8m n LEU 34 N -3.71 0.86 -1.71 2.58 4.77 -1.08 -3.20 117.00 115.51 1z8m n LEU 34 Ca -0.01 0.41 0.05 0.00 -0.03 0.00 0.00 56.01 56.43 1z8m n LEU 34 Cb 0.49 0.16 0.35 0.00 -2.33 0.00 0.00 43.42 42.08 1z8m n LEU 34 CO 0.38 0.36 0.80 0.54 -1.33 0.00 0.00 177.39 178.13 1z8m n ARG 35 N -3.02 4.33 0.03 3.23 1.74 -0.00 -4.45 116.66 118.52 1z8m n ARG 35 Ca -0.16 -2.71 0.00 0.00 -0.77 0.00 0.00 57.85 54.21 1z8m n ARG 35 Cb 1.03 -2.16 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 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 0.51 0.00 0.00 5.56 5.02 -1.01 -4.89 118.16 123.35 1z8m n LYS 36 Ca 0.24 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 1z8m n LYS 36 Cb 1.08 -0.47 0.00 0.00 -0.02 0.00 0.00 35.03 35.62 1z8m n LYS 36 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1z8m n LYS 37 N -3.28 0.00 -1.81 1.97 2.85 -1.25 -4.03 118.16 112.62 1z8m n LYS 37 Ca 0.00 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.83 1z8m n LYS 37 Cb 0.19 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.55 1z8m n LYS 37 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1z8m s GLU 38 N 0.00 3.67 1.15 -1.58 2.12 -1.19 -4.84 118.70 118.02 1z8m s GLU 38 Ca 0.00 2.07 -0.19 0.00 0.36 0.00 0.00 54.97 57.21 1z8m s GLU 38 Cb 0.00 -4.19 0.28 0.00 0.26 0.00 0.00 34.13 30.48 1z8m s GLU 38 CO 0.00 -1.47 1.14 -0.35 -0.54 0.00 0.00 175.26 174.04 1z8m n PRO 39 N 8.01 -2.63 -4.38 4.30 -0.04 -1.26 -4.46 135.00 134.53 1z8m n PRO 39 Ca 0.23 -1.81 -0.33 0.00 -0.04 0.00 0.00 63.50 61.55 1z8m n PRO 39 Cb 0.44 -1.55 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 1z8m n PRO 39 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1z8m s LEU 40 N 0.00 3.44 0.79 1.53 1.02 -1.26 -5.05 118.68 119.15 1z8m s LEU 40 Ca 0.71 0.02 -0.12 0.00 0.02 0.00 0.00 54.13 54.76 1z8m s LEU 40 Cb -0.06 -1.89 0.07 0.00 0.02 0.00 0.00 46.19 44.33 1z8m s LEU 40 CO 0.53 0.32 1.14 -1.81 0.02 0.00 0.00 176.35 176.55 1z8m s ASP 41 N -1.25 4.01 0.00 2.29 1.01 -1.26 -4.91 116.67 116.56 1z8m s ASP 41 Ca 0.17 2.09 0.17 0.00 0.71 0.00 0.00 52.55 55.69 1z8m s ASP 41 Cb -0.11 -2.56 0.72 0.00 1.01 0.00 0.00 42.92 41.98 1z8m s ASP 41 CO 0.06 -2.37 1.54 -0.81 0.21 0.00 0.00 175.17 173.80 1z8m n PRO 42 N -3.40 0.00 -0.71 8.23 -0.04 -1.26 -2.64 135.00 135.19 1z8m n PRO 42 Ca 0.11 0.21 0.04 0.00 -0.04 0.00 0.00 63.50 63.82 1z8m n PRO 42 Cb 0.52 -1.50 0.30 0.00 -0.04 0.00 0.00 33.50 32.78 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 -1.50 3.88 -0.26 0.54 10.64 -1.26 -4.02 117.38 125.40 1z8m n GLN 43 Ca 0.04 -2.41 0.10 0.00 -1.83 0.00 0.00 57.00 52.90 1z8m n GLN 43 Cb 0.20 -2.08 0.23 0.00 -0.86 0.00 0.00 30.24 27.73 1z8m n GLN 43 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1z8m n PHE 44 N 0.41 0.67 -3.29 2.61 3.01 -1.08 -4.96 117.46 114.83 1z8m n PHE 44 Ca 0.23 -0.42 -0.23 0.00 1.01 0.00 0.00 57.45 58.03 1z8m n PHE 44 Cb 1.00 -0.01 0.05 0.00 -0.01 0.00 0.00 39.48 40.52 1z8m n PHE 44 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 1z8m n GLN 45 N 1.21 -6.13 -2.53 -1.08 3.00 -1.26 -1.30 117.38 109.29 1z8m n GLN 45 Ca 0.19 0.86 -0.42 0.00 -0.01 0.00 0.00 57.00 57.62 1z8m n GLN 45 Cb 0.54 -5.80 -0.03 0.00 0.00 0.00 0.00 30.24 24.95 1z8m n GLN 45 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.06 177.22 1z8m s ASP 46 N -2.97 6.30 0.15 1.08 -4.77 -1.26 -4.44 116.67 110.76 1z8m s ASP 46 Ca 0.43 -0.01 -0.24 0.00 -3.30 0.00 0.00 52.55 49.44 1z8m s ASP 46 Cb -0.19 -2.55 0.08 0.00 -1.09 0.00 0.00 42.92 39.16 1z8m s ASP 46 CO 0.54 -1.63 1.06 -1.38 0.70 0.00 0.00 175.17 174.46 1z8m s HIS 47 N 5.40 0.03 0.49 2.11 -3.43 -1.11 -4.95 115.29 113.83 1z8m s HIS 47 Ca 0.43 -0.37 -0.21 0.00 -0.80 0.00 0.00 55.06 54.10 1z8m s HIS 47 Cb -0.08 0.67 -0.07 0.00 -1.43 0.00 0.00 32.58 31.67 1z8m s HIS 47 CO 0.23 -0.81 1.14 0.00 -2.00 0.00 0.00 174.74 173.29 1z8m s ALA 48 N -2.35 2.85 0.64 -1.38 0.00 -1.26 0.11 121.76 120.37 1z8m s ALA 48 Ca 0.20 0.86 0.06 0.00 0.00 0.00 0.00 51.96 53.08 1z8m s ALA 48 Cb -0.02 -3.36 0.11 0.00 0.00 0.00 0.00 23.12 19.85 1z8m s ALA 48 CO 0.04 -0.66 0.88 -0.51 0.00 0.00 0.00 175.76 175.51 1z8m s LEU 49 N -3.37 3.03 0.54 0.00 1.43 -1.17 -4.84 118.68 114.32 1z8m s LEU 49 Ca 0.68 -0.69 0.04 0.00 -1.03 0.00 0.00 54.13 53.12 1z8m s LEU 49 Cb -0.25 -1.70 0.03 0.00 0.03 0.00 0.00 46.19 44.29 1z8m s LEU 49 CO 0.30 -1.59 0.29 -1.59 0.23 0.00 0.00 176.35 173.99 1z8m s LYS 50 N -4.87 2.24 4.44 1.70 -2.85 -1.25 -4.01 119.74 115.13 1z8m s LYS 50 Ca 0.64 -2.16 0.00 0.00 -1.00 0.00 0.00 55.97 53.45 1z8m s LYS 50 Cb -0.05 -1.92 0.00 0.00 -2.06 0.00 0.00 37.83 33.80 1z8m s LYS 50 CO 0.41 -0.58 0.00 0.41 0.10 0.00 0.00 175.35 175.70 1z8m n GLY 51 N -1.64 1.27 0.34 0.59 0.00 -1.26 -2.55 105.19 101.93 1z8m n GLY 51 Ca -0.08 -0.68 0.22 0.00 0.00 0.00 0.00 46.02 45.49 1z8m n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1z8m h LYS 52 N 0.00 0.00 -1.15 1.61 1.79 -2.06 -1.85 116.57 114.91 1z8m h LYS 52 Ca 0.00 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.91 1z8m h LYS 52 Cb 0.00 0.00 -0.25 0.00 -1.58 0.00 0.00 32.23 30.40 1z8m h LYS 52 CO 0.00 0.00 0.73 0.91 -1.08 0.00 0.00 179.45 180.01 1z8m n TRP 53 N -3.14 2.71 -0.02 -1.35 7.02 -1.06 -4.57 117.44 117.03 1z8m n TRP 53 Ca -0.03 -2.64 -0.13 0.00 -1.02 0.00 0.00 57.50 53.68 1z8m n TRP 53 Cb 0.07 -1.27 -0.09 0.00 -2.42 0.00 0.00 31.31 27.60 1z8m n TRP 53 CO 0.00 0.00 0.00 -0.22 -2.02 0.00 0.00 177.69 175.45 1z8m h LYS 54 N 1.77 0.08 -1.65 -0.99 3.64 -1.45 -3.24 116.57 114.73 1z8m h LYS 54 Ca 0.51 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.75 1z8m h LYS 54 Cb 0.96 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.74 1z8m h LYS 54 CO 1.32 0.57 0.13 -0.35 -2.27 0.00 0.00 179.45 178.84 1z8m n PRO 55 N -4.78 1.25 -4.30 1.90 -0.04 -1.26 -4.44 135.00 123.32 1z8m n PRO 55 Ca -0.08 -0.50 -0.17 0.00 -0.04 0.00 0.00 63.50 62.71 1z8m n PRO 55 Cb 0.29 -1.20 -0.10 0.00 -0.04 0.00 0.00 33.50 32.45 1z8m n PRO 55 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1z8m s PHE 56 N -0.57 1.51 -0.02 0.54 0.08 -1.22 -4.95 117.98 113.34 1z8m s PHE 56 Ca 0.10 -1.34 0.01 0.00 0.12 0.00 0.00 56.93 55.82 1z8m s PHE 56 Cb 0.08 -0.81 0.01 0.00 -0.57 0.00 0.00 43.02 41.73 1z8m s PHE 56 CO 0.00 -0.51 -0.04 0.50 -0.10 0.00 0.00 175.22 175.08 1z8m s ARG 57 N -3.92 0.48 0.45 0.44 3.52 -1.15 -3.01 118.95 115.76 1z8m s ARG 57 Ca 0.37 -0.10 0.03 0.00 -0.13 0.00 0.00 55.73 55.90 1z8m s ARG 57 Cb 0.06 -0.52 0.01 0.00 -1.56 0.00 0.00 34.95 32.95 1z8m s ARG 57 CO 0.16 0.01 0.65 -2.00 -0.81 0.00 0.00 175.30 173.30 1z8m s GLU 58 N 0.39 2.85 -0.30 5.12 2.12 0.12 -2.07 118.70 126.93 1z8m s GLU 58 Ca -0.04 -0.85 -0.08 0.00 0.36 0.00 0.00 54.97 54.36 1z8m s GLU 58 Cb -0.08 -2.63 0.18 0.00 0.26 0.00 0.00 34.13 31.86 1z8m s GLU 58 CO -0.00 -0.35 0.83 0.00 -0.54 0.00 0.00 175.26 175.19 1z8m s HIS 60 N 2.85 3.43 0.53 0.00 0.09 -0.42 -0.57 115.29 121.19 1z8m s HIS 60 Ca 0.07 -1.86 0.19 0.00 -0.00 0.00 0.00 55.06 53.47 1z8m s HIS 60 Cb -0.12 -4.22 1.34 0.00 -0.00 0.00 0.00 32.58 29.58 1z8m s HIS 60 CO -0.16 -1.37 2.11 0.82 -0.00 0.00 0.00 174.74 176.14 1z8m h ILE 61 N 5.08 0.89 -4.31 0.60 5.03 -1.85 -3.43 117.51 119.53 1z8m h ILE 61 Ca 0.22 0.00 -0.16 0.00 -0.12 0.00 0.00 64.86 64.80 1z8m h ILE 61 Cb 0.95 0.93 -0.15 0.00 -3.03 0.00 0.00 36.82 35.52 1z8m h ILE 61 CO 1.13 0.00 -0.66 -0.54 -0.68 0.00 0.00 178.15 177.39 1z8m s LYS 62 N -5.02 0.79 0.00 2.37 1.02 -1.25 -5.00 119.74 112.64 1z8m s LYS 62 Ca -0.05 -1.34 0.05 0.00 0.02 0.00 0.00 55.97 54.65 1z8m s LYS 62 Cb 0.18 0.20 0.25 0.00 -0.52 0.00 0.00 37.83 37.94 1z8m s LYS 62 CO 0.68 -0.18 1.11 -0.35 -0.92 0.00 0.00 175.35 175.68 1z8m n PRO 63 N -0.01 0.03 -0.91 -1.68 -0.04 -1.26 -1.63 135.00 129.51 1z8m n PRO 63 Ca -0.09 0.33 0.04 0.00 -0.04 0.00 0.00 63.50 63.74 1z8m n PRO 63 Cb 0.62 -1.50 0.07 0.00 -0.04 0.00 0.00 33.50 32.65 1z8m n PRO 63 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1z8m n ASP 64 N -1.41 1.08 -3.88 3.54 -0.08 -1.26 -4.75 116.55 109.79 1z8m n ASP 64 Ca 0.02 -2.54 -0.11 0.00 -1.51 0.00 0.00 54.79 50.64 1z8m n ASP 64 Cb 0.05 -0.34 -0.12 0.00 2.34 0.00 0.00 41.12 43.06 1z8m n ASP 64 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1z8m s VAL 65 N -1.04 0.05 -0.31 5.18 1.01 -0.64 -4.05 120.40 120.59 1z8m s VAL 65 Ca 0.27 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.83 1z8m s VAL 65 Cb 0.28 -0.26 0.15 0.00 0.00 0.00 0.00 36.38 36.55 1z8m s VAL 65 CO -0.09 -0.23 0.34 -0.76 0.00 0.00 0.00 175.10 174.36 1z8m s LEU 66 N -0.75 -0.32 -0.04 3.92 1.43 0.28 -3.67 118.68 119.53 1z8m s LEU 66 Ca -0.08 -0.87 -0.17 0.00 -1.03 0.00 0.00 54.13 51.97 1z8m s LEU 66 Cb -0.05 0.65 -0.05 0.00 0.03 0.00 0.00 46.19 46.77 1z8m s LEU 66 CO 0.00 -0.35 0.47 -0.22 0.23 0.00 0.00 176.35 176.49 1z8m s LEU 67 N 2.18 4.39 -0.20 1.79 1.98 0.27 -1.40 118.68 127.69 1z8m s LEU 67 Ca 0.11 0.96 -0.05 0.00 -2.89 0.00 0.00 54.13 52.26 1z8m s LEU 67 Cb -0.14 -2.70 -0.03 0.00 0.66 0.00 0.00 46.19 43.99 1z8m s LEU 67 CO -0.26 0.17 0.01 -0.69 -1.89 0.00 0.00 176.35 173.69 1z8m s VAL 68 N -0.30 4.02 0.05 1.68 1.01 0.44 -1.57 120.40 125.73 1z8m s VAL 68 Ca 0.26 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1z8m s VAL 68 Cb -0.17 -2.82 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 1z8m s VAL 68 CO 0.13 0.43 -0.06 -0.72 0.00 0.00 0.00 175.10 174.88 1z8m s TYR 69 N 0.97 0.62 -0.12 5.22 -0.85 -0.88 0.13 117.35 122.45 1z8m s TYR 69 Ca 0.02 -0.68 -0.01 0.00 -0.52 0.00 0.00 57.07 55.88 1z8m s TYR 69 Cb -0.14 -0.39 -0.02 0.00 0.38 0.00 0.00 41.96 41.79 1z8m s TYR 69 CO 0.02 -0.16 -0.10 -1.17 -1.52 0.00 0.00 175.55 172.61 1z8m s LEU 70 N -2.09 2.89 0.63 -3.49 0.20 0.24 -2.95 118.68 114.10 1z8m s LEU 70 Ca -0.04 -0.24 -0.11 0.00 0.69 0.00 0.00 54.13 54.43 1z8m s LEU 70 Cb -0.04 -1.65 -0.03 0.00 -0.43 0.00 0.00 46.19 44.04 1z8m s LEU 70 CO -0.03 0.20 1.04 0.54 -0.29 0.00 0.00 176.35 177.81 1z8m s VAL 71 N 0.14 4.54 0.08 1.68 0.11 -1.26 -1.32 120.40 124.36 1z8m s VAL 71 Ca -0.05 0.85 -0.05 0.00 -2.93 0.00 0.00 61.98 59.80 1z8m s VAL 71 Cb -0.15 -3.75 -0.02 0.00 -1.53 0.00 0.00 36.38 30.93 1z8m s VAL 71 CO 0.04 -1.05 0.09 -0.75 -3.33 0.00 0.00 175.10 170.10 1z8m s LYS 72 N -5.08 0.77 0.50 1.54 2.36 0.84 -4.90 119.74 115.77 1z8m s LYS 72 Ca 0.56 -1.11 0.42 0.00 -2.55 0.00 0.00 55.97 53.29 1z8m s LYS 72 Cb -0.12 0.28 1.62 0.00 -1.05 0.00 0.00 37.83 38.57 1z8m s LYS 72 CO 0.53 -0.21 1.58 0.22 1.55 0.00 0.00 175.35 179.02 1z8m h ASP 73 N 2.91 0.10 0.00 1.43 1.82 -2.05 -3.05 116.42 117.58 1z8m h ASP 73 Ca -0.34 0.08 -0.10 0.00 -0.39 0.00 0.00 57.03 56.28 1z8m h ASP 73 Cb 1.18 0.08 -0.10 0.00 0.68 0.00 0.00 39.33 41.16 1z8m h ASP 73 CO 0.60 -0.13 -0.22 -0.90 -1.61 0.00 0.00 179.24 176.99 1z8m n ASP 74 N -4.33 -0.79 -3.65 2.28 5.75 -1.26 -5.14 116.55 109.42 1z8m n ASP 74 Ca 0.42 -1.55 -0.11 0.00 -0.01 0.00 0.00 54.79 53.55 1z8m n ASP 74 Cb 1.79 0.25 -0.05 0.00 -1.03 0.00 0.00 41.12 42.09 1z8m n ASP 74 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1z8m s GLU 75 N 0.01 1.02 -0.03 0.11 2.02 -1.16 -4.28 118.70 116.38 1z8m s GLU 75 Ca 0.01 -0.60 0.06 0.00 0.02 0.00 0.00 54.97 54.45 1z8m s GLU 75 Cb 0.03 0.45 -0.01 0.00 0.10 0.00 0.00 34.13 34.70 1z8m s GLU 75 CO -0.01 -0.38 -0.21 -1.17 0.02 0.00 0.00 175.26 173.51 1z8m s LEU 76 N -2.55 2.01 -0.04 1.80 2.96 0.34 -0.11 118.68 123.08 1z8m s LEU 76 Ca 0.00 -0.41 0.04 0.00 -0.22 0.00 0.00 54.13 53.54 1z8m s LEU 76 Cb 0.01 -1.15 0.00 0.00 0.50 0.00 0.00 46.19 45.55 1z8m s LEU 76 CO -0.09 0.23 -0.15 0.27 -1.32 0.00 0.00 176.35 175.29 1z8m s ILE 77 N -0.27 1.28 -0.16 6.68 -5.25 -0.43 -1.61 121.20 121.44 1z8m s ILE 77 Ca 0.02 -0.62 -0.23 0.00 -0.99 0.00 0.00 60.65 58.83 1z8m s ILE 77 Cb -0.11 -1.11 -0.02 0.00 2.95 0.00 0.00 42.46 44.17 1z8m s ILE 77 CO 0.01 0.38 0.71 -0.76 -1.79 0.00 0.00 174.94 173.49 1z8m s LEU 78 N 0.15 4.19 -0.06 0.37 1.43 -1.24 0.79 118.68 124.31 1z8m s LEU 78 Ca -0.05 1.02 -0.01 0.00 -1.03 0.00 0.00 54.13 54.06 1z8m s LEU 78 Cb -0.12 -3.05 -0.00 0.00 0.03 0.00 0.00 46.19 43.05 1z8m s LEU 78 CO 0.02 -0.29 -0.02 -0.07 0.23 0.00 0.00 176.35 176.22 1z8m h LEU 79 N 7.97 0.00 -7.90 1.79 4.07 0.72 -2.83 115.31 119.13 1z8m h LEU 79 Ca -0.32 0.00 0.10 0.00 0.08 0.00 0.00 57.88 57.73 1z8m h LEU 79 Cb 1.15 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.83 1z8m h LEU 79 CO 0.79 0.29 0.33 0.00 -1.08 0.00 0.00 178.44 178.77 1z8m s ARG 80 N -1.38 1.64 -0.06 1.13 1.04 -0.96 -1.36 118.95 119.00 1z8m s ARG 80 Ca -0.02 -0.93 0.03 0.00 -1.04 0.00 0.00 55.73 53.78 1z8m s ARG 80 Cb 0.00 0.54 0.00 0.00 -2.04 0.00 0.00 34.95 33.46 1z8m s ARG 80 CO 0.03 -0.75 -0.16 -1.17 -0.04 0.00 0.00 175.30 173.21 1z8m s LEU 81 N -2.96 1.82 0.15 -1.89 1.98 -1.26 -0.42 118.68 116.10 1z8m s LEU 81 Ca 0.12 -0.36 -0.05 0.00 -2.89 0.00 0.00 54.13 50.95 1z8m s LEU 81 Cb -0.04 -0.98 -0.03 0.00 0.66 0.00 0.00 46.19 45.80 1z8m s LEU 81 CO 0.06 0.10 0.17 -0.83 -1.89 0.00 0.00 176.35 173.96 1z8m s GLY 82 N 0.37 0.76 0.48 7.98 0.00 -0.50 -4.80 107.32 111.61 1z8m s GLY 82 Ca -0.11 -1.20 0.08 0.00 0.00 0.00 0.00 44.72 43.48 1z8m s GLY 82 CO 0.04 -1.12 0.51 -0.56 0.00 0.00 0.00 173.10 171.98 1z8m s SER 83 N -3.01 5.07 0.54 1.64 0.01 -1.26 0.10 113.70 116.78 1z8m s SER 83 Ca 0.21 -0.83 0.28 0.00 1.31 0.00 0.00 55.95 56.93 1z8m s SER 83 Cb 0.05 -0.16 1.52 0.00 0.21 0.00 0.00 66.02 67.65 1z8m s SER 83 CO 0.01 -0.94 2.10 -0.74 0.41 0.00 0.00 173.24 174.09 1z8m h HIS 84 N 0.70 0.00 0.00 2.43 2.76 -1.86 -2.12 115.15 117.07 1z8m h HIS 84 Ca -0.37 0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 57.60 1z8m h HIS 84 Cb 1.28 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.21 1z8m h HIS 84 CO 0.58 0.10 -1.47 0.77 -1.30 0.00 0.00 177.93 176.61 1z8m h SER 85 N 0.00 0.00 0.06 3.26 0.02 -1.92 -2.71 113.55 112.26 1z8m h SER 85 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1z8m h SER 85 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1z8m h SER 85 CO 0.01 0.68 -0.03 -0.33 -1.14 0.00 0.00 176.83 176.03 1z8m h GLU 86 N 0.00 -0.07 -0.05 3.45 4.39 -1.79 -3.36 114.58 117.15 1z8m h GLU 86 Ca -0.19 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.37 1z8m h GLU 86 Cb 1.69 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.34 1z8m h GLU 86 CO 0.05 -0.05 -0.62 -0.07 -1.16 0.00 0.00 179.01 177.17 1z8m h LEU 87 N -0.20 0.21 -1.11 1.33 3.38 -1.63 -3.48 115.31 113.80 1z8m h LEU 87 Ca -0.01 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1z8m h LEU 87 Cb 0.06 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1z8m h LEU 87 CO 0.01 0.77 0.00 0.49 0.09 0.00 0.00 178.44 179.80