#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 2.08 1.08 4.03 1.43 -1.26 -5.10 118.68 120.94 1z8m s LEU 2 Ca 0.00 -1.15 -0.12 0.00 -1.03 0.00 0.00 54.13 51.83 1z8m s LEU 2 Cb 0.00 0.10 0.24 0.00 0.03 0.00 0.00 46.19 46.56 1z8m s LEU 2 CO 0.00 -0.62 1.05 1.17 0.23 0.00 0.00 176.35 178.18 1z8m n LYS 3 N -0.12 -1.72 -4.14 1.70 0.00 -1.26 -4.69 118.16 107.92 1z8m n LYS 3 Ca -0.08 -0.46 -0.14 0.00 0.00 0.00 0.00 58.31 57.64 1z8m n LYS 3 Cb 0.63 -2.24 -0.11 0.00 0.00 0.00 0.00 35.03 33.31 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 -6.93 2.36 0.00 3.14 0.20 -1.19 -0.04 118.68 116.22 1z8m s LEU 4 Ca 0.68 -0.74 0.06 0.00 0.69 0.00 0.00 54.13 54.82 1z8m s LEU 4 Cb -0.24 -0.26 -0.02 0.00 -0.43 0.00 0.00 46.19 45.23 1z8m s LEU 4 CO 0.63 -0.25 0.21 -3.20 -0.29 0.00 0.00 176.35 173.45 1z8m n ASN 5 N 0.82 -0.25 -3.75 3.68 5.15 -0.29 -4.87 115.26 115.75 1z8m n ASN 5 Ca -0.18 -2.83 -0.13 0.00 -0.60 0.00 0.00 54.58 50.84 1z8m n ASN 5 Cb 0.57 1.30 -0.13 0.00 -0.53 0.00 0.00 39.78 40.99 1z8m n ASN 5 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1z8m s LEU 6 N 0.00 0.69 0.32 1.20 1.43 -1.26 -2.68 118.68 118.38 1z8m s LEU 6 Ca 0.30 0.48 0.07 0.00 -1.03 0.00 0.00 54.13 53.95 1z8m s LEU 6 Cb 0.01 0.71 -0.02 0.00 0.03 0.00 0.00 46.19 46.92 1z8m s LEU 6 CO 0.21 -0.13 0.34 -0.54 0.23 0.00 0.00 176.35 176.46 1z8m s LYS 7 N 0.87 2.91 0.36 1.70 -0.14 -1.21 -4.92 119.74 119.30 1z8m s LYS 7 Ca -0.06 -1.15 0.09 0.00 -1.36 0.00 0.00 55.97 53.49 1z8m s LYS 7 Cb -0.08 -2.62 0.67 0.00 -1.68 0.00 0.00 37.83 34.12 1z8m s LYS 7 CO -0.05 0.13 1.83 -0.22 -0.76 0.00 0.00 175.35 176.28 1z8m h LYS 8 N 1.15 0.19 -0.26 1.68 3.11 -1.92 -2.76 116.57 117.76 1z8m h LYS 8 Ca -0.46 -0.06 -0.15 0.00 -2.81 0.00 0.00 60.65 57.17 1z8m h LYS 8 Cb 1.25 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.46 1z8m h LYS 8 CO 0.57 0.45 -0.46 0.66 -2.81 0.00 0.00 179.45 177.86 1z8m h SER 9 N 0.17 0.74 -0.07 4.20 4.64 -1.96 -2.33 113.55 118.94 1z8m h SER 9 Ca 0.03 -0.36 0.01 0.00 -0.47 0.00 0.00 61.79 61.00 1z8m h SER 9 Cb 0.57 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 1z8m h SER 9 CO 0.04 1.08 0.01 0.15 -0.87 0.00 0.00 176.83 177.24 1z8m h PHE 10 N 0.54 0.01 -0.43 4.77 3.57 -1.08 0.30 116.94 124.63 1z8m h PHE 10 Ca 0.03 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 1z8m h PHE 10 Cb 1.01 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 1z8m h PHE 10 CO 0.05 0.00 0.13 1.96 -2.23 0.00 0.00 178.31 178.22 1z8m h GLN 11 N 0.03 0.66 0.00 1.11 4.20 -1.54 -2.10 115.11 117.48 1z8m h GLN 11 Ca 0.03 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1z8m h GLN 11 Cb 0.03 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1z8m h GLN 11 CO -0.04 0.65 0.00 1.63 -0.67 0.00 0.00 178.83 180.40 1z8m n LYS 12 N -4.57 0.17 -0.02 1.46 4.76 -0.88 -1.55 118.16 117.53 1z8m n LYS 12 Ca 0.00 0.11 -0.11 0.00 -2.87 0.00 0.00 58.31 55.44 1z8m n LYS 12 Cb 0.18 -1.50 -0.14 0.00 -1.84 0.00 0.00 35.03 31.73 1z8m n LYS 12 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1z8m n ASP 13 N -1.38 1.09 -0.09 4.39 8.00 0.10 -3.67 116.55 124.99 1z8m n ASP 13 Ca 0.08 0.38 -0.14 0.00 0.71 0.00 0.00 54.79 55.82 1z8m n ASP 13 Cb 0.21 -0.20 -0.07 0.00 -0.02 0.00 0.00 41.12 41.04 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 -3.12 0.96 -0.28 1.24 7.35 -0.97 -2.80 117.46 119.85 1z8m n PHE 14 Ca -0.20 0.42 0.28 0.00 -0.76 0.00 0.00 57.45 57.19 1z8m n PHE 14 Cb 1.05 -0.94 0.65 0.00 0.35 0.00 0.00 39.48 40.59 1z8m n PHE 14 CO 0.00 0.00 0.00 -0.44 -0.76 0.00 0.00 176.76 175.56 1z8m h ASP 15 N -1.00 0.17 1.19 -2.13 3.32 -1.51 1.09 116.42 117.55 1z8m h ASP 15 Ca -0.18 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 56.83 1z8m h ASP 15 Cb 0.92 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.46 1z8m h ASP 15 CO -0.11 0.04 -0.85 0.11 -1.72 0.00 0.00 179.24 176.71 1z8m h LYS 16 N 0.15 0.00 0.01 3.56 1.79 -1.72 -3.32 116.57 117.04 1z8m h LYS 16 Ca 0.53 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.90 1z8m h LYS 16 Cb 1.80 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.44 1z8m h LYS 16 CO -0.11 0.16 -0.54 -0.07 -1.08 0.00 0.00 179.45 177.81 1z8m h LEU 17 N 0.00 0.03 -0.98 2.94 3.38 0.96 -3.11 115.31 118.53 1z8m h LEU 17 Ca -0.04 -0.82 0.26 0.00 0.09 0.00 0.00 57.88 57.37 1z8m h LEU 17 Cb 1.22 -0.01 -0.13 0.00 0.09 0.00 0.00 40.66 41.83 1z8m h LEU 17 CO 0.02 1.22 0.55 -0.07 0.09 0.00 0.00 178.44 180.25 1z8m h LEU 18 N -0.95 0.56 -0.88 1.67 -0.00 0.49 0.80 115.31 117.01 1z8m h LEU 18 Ca -0.14 0.16 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 1z8m h LEU 18 Cb 1.16 0.08 0.00 0.00 -0.00 0.00 0.00 40.66 41.91 1z8m h LEU 18 CO -0.07 0.01 -0.02 0.18 -0.00 0.00 0.00 178.44 178.54 1z8m n LEU 19 N -4.97 1.38 -2.18 1.67 4.77 -1.25 -3.18 117.00 113.24 1z8m n LEU 19 Ca 0.27 -0.45 -0.26 0.00 -0.03 0.00 0.00 56.01 55.54 1z8m n LEU 19 Cb 0.80 -0.01 0.13 0.00 -2.33 0.00 0.00 43.42 42.01 1z8m n LEU 19 CO 0.14 0.23 1.30 0.59 -1.33 0.00 0.00 177.39 178.32 1z8m n ASN 20 N 0.04 5.04 0.00 -1.43 5.03 0.28 -4.80 115.26 119.42 1z8m n ASN 20 Ca 0.19 -3.56 0.00 0.00 0.87 0.00 0.00 54.58 52.08 1z8m n ASN 20 Cb 0.34 -0.88 0.00 0.00 -1.02 0.00 0.00 39.78 38.23 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 -0.93 0.56 3.38 7.41 0.00 -1.24 -5.01 105.19 109.36 1z8m n GLY 21 Ca 0.57 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 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 3.14 0.51 1.61 2.19 -1.16 -5.06 117.98 117.21 1z8m s PHE 22 Ca 0.00 -0.80 -0.22 0.00 0.33 0.00 0.00 56.93 56.24 1z8m s PHE 22 Cb 0.00 -2.27 -0.07 0.00 -1.31 0.00 0.00 43.02 39.36 1z8m s PHE 22 CO 0.00 -0.52 1.07 -3.47 1.83 0.00 0.00 175.22 174.13 1z8m n ASP 23 N 4.90 1.41 -0.06 6.13 2.03 -1.26 -4.42 116.55 125.28 1z8m n ASP 23 Ca -0.15 0.94 -0.08 0.00 0.52 0.00 0.00 54.79 56.03 1z8m n ASP 23 Cb 0.49 -1.42 -0.15 0.00 -0.72 0.00 0.00 41.12 39.32 1z8m n ASP 23 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1z8m n ASP 24 N -0.22 0.31 -0.35 1.67 5.68 -1.26 -4.03 116.55 118.35 1z8m n ASP 24 Ca 0.11 0.15 0.01 0.00 -0.50 0.00 0.00 54.79 54.56 1z8m n ASP 24 Cb 0.43 0.69 0.15 0.00 -1.14 0.00 0.00 41.12 41.25 1z8m n ASP 24 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1z8m h SER 25 N 0.00 0.99 0.96 -1.12 0.02 -2.02 -1.38 113.55 111.00 1z8m h SER 25 Ca -0.42 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.43 1z8m h SER 25 Cb 2.08 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 64.39 1z8m h SER 25 CO 0.04 0.64 -0.50 1.62 -1.14 0.00 0.00 176.83 177.50 1z8m h VAL 26 N 1.13 1.05 -1.01 2.27 3.04 -1.98 -3.19 116.25 117.56 1z8m h VAL 26 Ca 0.40 -1.95 0.02 0.00 -1.01 0.00 0.00 66.70 64.16 1z8m h VAL 26 Cb 0.12 2.16 -0.05 0.00 -2.01 0.00 0.00 31.29 31.51 1z8m h VAL 26 CO -0.16 0.49 0.67 0.17 -1.01 0.00 0.00 177.57 177.73 1z8m h LEU 27 N 0.00 1.15 -0.09 3.16 8.10 -1.39 -2.98 115.31 123.26 1z8m h LEU 27 Ca -0.01 -0.03 0.04 0.00 0.11 0.00 0.00 57.88 58.00 1z8m h LEU 27 Cb 1.12 -0.28 -0.06 0.00 -0.44 0.00 0.00 40.66 40.99 1z8m h LEU 27 CO 0.07 0.82 -0.44 -1.13 -4.11 0.00 0.00 178.44 173.65 1z8m h ASN 28 N 1.35 -1.37 0.00 0.17 -0.73 -1.51 0.21 115.58 113.70 1z8m h ASN 28 Ca 0.38 0.17 0.00 0.00 1.87 0.00 0.00 56.30 58.72 1z8m h ASN 28 Cb -0.12 0.55 0.00 0.00 0.27 0.00 0.00 38.32 39.01 1z8m h ASN 28 CO -0.09 -0.45 0.41 -0.33 -0.37 0.00 0.00 177.43 176.60 1z8m h GLU 29 N -0.54 0.00 0.00 6.67 5.08 -1.69 -0.67 114.58 123.44 1z8m h GLU 29 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1z8m h GLU 29 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1z8m h GLU 29 CO -0.38 0.00 0.00 0.28 -1.00 0.00 0.00 179.01 177.91 1z8m n VAL 30 N -2.82 0.00 -0.24 3.13 0.31 0.63 -3.91 118.33 115.43 1z8m n VAL 30 Ca -0.02 0.28 0.04 0.00 -0.01 0.00 0.00 64.34 64.64 1z8m n VAL 30 Cb 0.45 -1.04 0.17 0.00 -0.91 0.00 0.00 33.84 32.51 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 0.60 -0.62 2.52 5.03 -1.17 0.16 117.51 124.03 1z8m h ILE 31 Ca 0.00 -0.12 0.08 0.00 -0.12 0.00 0.00 64.86 64.70 1z8m h ILE 31 Cb 0.00 0.23 -0.04 0.00 -3.03 0.00 0.00 36.82 33.98 1z8m h ILE 31 CO 0.00 0.06 0.41 0.17 -0.68 0.00 0.00 178.15 178.12 1z8m h LEU 32 N 0.34 0.48 -1.30 1.44 -0.00 -1.33 0.18 115.31 115.12 1z8m h LEU 32 Ca 0.39 0.01 -0.06 0.00 -0.00 0.00 0.00 57.88 58.21 1z8m h LEU 32 Cb 0.62 -0.10 -0.01 0.00 -0.00 0.00 0.00 40.66 41.18 1z8m h LEU 32 CO -0.44 0.30 -0.31 0.74 -0.00 0.00 0.00 178.44 178.73 1z8m h THR 33 N 0.54 0.93 0.00 0.15 2.02 -1.08 -1.58 112.91 113.89 1z8m h THR 33 Ca 0.28 -1.18 -0.17 0.00 0.77 0.00 0.00 66.41 66.11 1z8m h THR 33 Cb 0.39 1.70 -0.03 0.00 -1.74 0.00 0.00 68.15 68.47 1z8m h THR 33 CO -0.08 0.30 -1.40 0.18 0.37 0.00 0.00 175.52 174.88 1z8m n LEU 34 N -3.75 0.87 -1.53 2.58 4.77 0.15 -3.63 117.00 116.46 1z8m n LEU 34 Ca -0.01 0.38 0.07 0.00 -0.03 0.00 0.00 56.01 56.42 1z8m n LEU 34 Cb 0.40 0.07 0.35 0.00 -2.33 0.00 0.00 43.42 41.92 1z8m n LEU 34 CO 0.36 0.14 0.82 0.54 -1.33 0.00 0.00 177.39 177.92 1z8m n ARG 35 N -2.89 4.16 -0.00 3.23 1.74 0.41 -4.57 116.66 118.74 1z8m n ARG 35 Ca -0.10 -3.06 -0.04 0.00 -0.77 0.00 0.00 57.85 53.89 1z8m n ARG 35 Cb 0.84 -2.12 -0.01 0.00 -1.02 0.00 0.00 32.46 30.15 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 0.18 0.12 0.00 5.56 5.02 -0.61 -4.98 118.16 123.45 1z8m n LYS 36 Ca 0.26 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 1z8m n LYS 36 Cb 1.10 -0.71 0.00 0.00 -0.02 0.00 0.00 35.03 35.40 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 -3.53 0.00 -1.67 1.97 -0.00 -1.26 -5.12 118.16 108.55 1z8m n LYS 37 Ca -0.07 0.00 -0.45 0.00 -0.00 0.00 0.00 58.31 57.79 1z8m n LYS 37 Cb 0.31 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 35.30 1z8m n LYS 37 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1z8m n GLU 38 N 0.00 2.51 -1.21 -1.58 2.13 -1.24 -4.97 120.64 116.28 1z8m n GLU 38 Ca 0.00 0.92 -0.28 0.00 0.66 0.00 0.00 57.16 58.46 1z8m n GLU 38 Cb 0.00 -2.81 0.23 0.00 0.27 0.00 0.00 31.44 29.12 1z8m n GLU 38 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1z8m n PRO 39 N 6.89 -2.57 -4.92 5.31 -0.04 -1.26 -4.66 135.00 133.74 1z8m n PRO 39 Ca 0.21 -1.74 -0.29 0.00 -0.04 0.00 0.00 63.50 61.63 1z8m n PRO 39 Cb 0.35 -1.49 -0.17 0.00 -0.04 0.00 0.00 33.50 32.15 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 1.92 0.91 1.53 1.02 -1.26 -5.08 118.68 117.72 1z8m s LEU 40 Ca 0.69 -0.47 -0.11 0.00 0.02 0.00 0.00 54.13 54.25 1z8m s LEU 40 Cb -0.05 -1.20 0.10 0.00 0.02 0.00 0.00 46.19 45.06 1z8m s LEU 40 CO 0.51 0.10 0.91 0.47 0.02 0.00 0.00 176.35 178.37 1z8m n ASP 41 N 3.71 -0.35 0.00 2.29 9.92 -1.26 -4.87 116.55 125.98 1z8m n ASP 41 Ca -0.20 0.42 0.08 0.00 -0.53 0.00 0.00 54.79 54.55 1z8m n ASP 41 Cb 0.52 -1.39 0.34 0.00 -0.64 0.00 0.00 41.12 39.95 1z8m n ASP 41 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1z8m n PRO 42 N -3.25 0.00 -0.15 -0.24 -0.04 -1.26 -2.43 135.00 127.64 1z8m n PRO 42 Ca 0.11 0.23 0.05 0.00 -0.04 0.00 0.00 63.50 63.85 1z8m n PRO 42 Cb 0.52 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.64 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 -1.51 1.71 -0.15 0.54 10.64 -1.26 -3.81 117.38 123.54 1z8m n GLN 43 Ca 0.04 -1.10 0.07 0.00 -1.83 0.00 0.00 57.00 54.17 1z8m n GLN 43 Cb 0.18 -1.25 0.22 0.00 -0.86 0.00 0.00 30.24 28.53 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 0.39 0.40 -3.58 2.61 3.01 -1.02 -4.91 117.46 114.36 1z8m n PHE 44 Ca 0.11 -0.20 -0.24 0.00 1.01 0.00 0.00 57.45 58.13 1z8m n PHE 44 Cb 0.27 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 39.81 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 0.47 -7.88 -2.11 -1.08 3.00 -1.25 -0.45 117.38 108.07 1z8m n GLN 45 Ca 0.13 0.82 -0.42 0.00 -0.01 0.00 0.00 57.00 57.51 1z8m n GLN 45 Cb 0.30 -5.84 0.00 0.00 0.00 0.00 0.00 30.24 24.71 1z8m n GLN 45 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.06 176.66 1z8m n ASP 46 N -2.95 4.40 -4.34 1.08 5.75 -1.26 -4.25 116.55 114.99 1z8m n ASP 46 Ca 0.01 -2.91 -0.22 0.00 -0.01 0.00 0.00 54.79 51.66 1z8m n ASP 46 Cb 0.56 -1.65 -0.10 0.00 -1.03 0.00 0.00 41.12 38.90 1z8m n ASP 46 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 1z8m s HIS 47 N 2.91 1.85 0.07 2.11 -3.43 -1.19 -4.91 115.29 112.71 1z8m s HIS 47 Ca 0.47 -1.08 -0.28 0.00 -0.80 0.00 0.00 55.06 53.37 1z8m s HIS 47 Cb 0.10 -1.20 -0.05 0.00 -1.43 0.00 0.00 32.58 30.00 1z8m s HIS 47 CO -0.03 -0.13 0.90 0.00 -2.00 0.00 0.00 174.74 173.48 1z8m s ALA 48 N -3.34 3.27 0.88 -1.38 0.00 -1.26 -0.89 121.76 119.04 1z8m s ALA 48 Ca 0.33 0.47 -0.12 0.00 0.00 0.00 0.00 51.96 52.64 1z8m s ALA 48 Cb 0.07 -3.20 0.16 0.00 0.00 0.00 0.00 23.12 20.15 1z8m s ALA 48 CO 0.15 -0.03 1.22 -0.51 0.00 0.00 0.00 175.76 176.59 1z8m s LEU 49 N 0.17 2.74 0.49 0.00 1.43 -1.18 -4.92 118.68 117.41 1z8m s LEU 49 Ca 0.45 0.25 0.05 0.00 -1.03 0.00 0.00 54.13 53.85 1z8m s LEU 49 Cb -0.22 -2.46 -0.01 0.00 0.03 0.00 0.00 46.19 43.53 1z8m s LEU 49 CO 0.27 -2.38 0.21 -0.54 0.23 0.00 0.00 176.35 174.14 1z8m s LYS 50 N -5.67 2.22 6.91 1.70 1.02 -1.25 -3.69 119.74 120.98 1z8m s LYS 50 Ca 0.70 -2.08 0.00 0.00 0.02 0.00 0.00 55.97 54.61 1z8m s LYS 50 Cb -0.06 -1.89 0.00 0.00 -0.52 0.00 0.00 37.83 35.37 1z8m s LYS 50 CO 0.50 -0.37 0.00 0.41 -0.92 0.00 0.00 175.35 174.97 1z8m n GLY 51 N -1.44 1.74 0.22 -3.33 0.00 -1.26 -2.77 105.19 98.35 1z8m n GLY 51 Ca -0.07 -0.44 0.08 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.11 1.61 1.79 -2.04 -2.86 116.57 113.96 1z8m h LYS 52 Ca 0.00 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.88 1z8m h LYS 52 Cb 0.00 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 30.39 1z8m h LYS 52 CO 0.00 0.25 0.76 0.91 -1.08 0.00 0.00 179.45 180.30 1z8m n TRP 53 N -3.71 2.84 -0.03 -1.35 8.01 -1.11 -4.56 117.44 117.53 1z8m n TRP 53 Ca -0.01 -2.73 -0.13 0.00 -1.31 0.00 0.00 57.50 53.33 1z8m n TRP 53 Cb 0.37 -1.31 -0.11 0.00 -2.01 0.00 0.00 31.31 28.24 1z8m n TRP 53 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.69 177.55 1z8m h LYS 54 N 1.82 -0.03 0.00 -0.99 1.57 -1.58 -3.12 116.57 114.24 1z8m h LYS 54 Ca 0.54 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.32 1z8m h LYS 54 Cb 0.95 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1z8m h LYS 54 CO 1.38 0.67 0.00 -0.35 -0.57 0.00 0.00 179.45 180.58 1z8m n PRO 55 N -4.75 0.89 -4.17 3.15 -0.04 -1.26 -4.62 135.00 124.20 1z8m n PRO 55 Ca -0.09 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.13 1z8m n PRO 55 Cb 0.35 -1.32 -0.08 0.00 -0.04 0.00 0.00 33.50 32.41 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 -2.00 2.61 0.04 0.54 0.08 -1.23 -4.82 117.98 113.20 1z8m s PHE 56 Ca 0.28 -0.57 0.05 0.00 0.12 0.00 0.00 56.93 56.81 1z8m s PHE 56 Cb 0.13 -1.90 -0.02 0.00 -0.57 0.00 0.00 43.02 40.66 1z8m s PHE 56 CO 0.21 0.23 -0.16 0.50 -0.10 0.00 0.00 175.22 175.90 1z8m s ARG 57 N -3.88 1.06 0.35 0.44 3.52 0.80 -3.34 118.95 117.90 1z8m s ARG 57 Ca 0.40 -0.79 0.07 0.00 -0.13 0.00 0.00 55.73 55.28 1z8m s ARG 57 Cb 0.03 -1.10 -0.02 0.00 -1.56 0.00 0.00 34.95 32.31 1z8m s ARG 57 CO 0.22 0.28 0.40 -2.00 -0.81 0.00 0.00 175.30 173.39 1z8m s GLU 58 N -1.11 2.92 -0.30 5.12 2.12 -0.07 0.91 118.70 128.30 1z8m s GLU 58 Ca 0.03 -1.17 -0.09 0.00 0.36 0.00 0.00 54.97 54.11 1z8m s GLU 58 Cb -0.08 -2.66 0.15 0.00 0.26 0.00 0.00 34.13 31.80 1z8m s GLU 58 CO 0.01 0.04 0.71 0.00 -0.54 0.00 0.00 175.26 175.48 1z8m s HIS 60 N 2.82 3.35 0.53 0.00 0.09 0.40 -2.14 115.29 120.35 1z8m s HIS 60 Ca 0.02 -1.77 0.19 0.00 -0.00 0.00 0.00 55.06 53.50 1z8m s HIS 60 Cb -0.12 -4.25 1.37 0.00 -0.00 0.00 0.00 32.58 29.59 1z8m s HIS 60 CO -0.19 -1.40 2.16 0.82 -0.00 0.00 0.00 174.74 176.14 1z8m h ILE 61 N 5.23 0.91 -4.33 0.60 5.03 -1.82 -3.44 117.51 119.70 1z8m h ILE 61 Ca 0.22 0.00 -0.18 0.00 -0.12 0.00 0.00 64.86 64.77 1z8m h ILE 61 Cb 0.96 0.99 -0.14 0.00 -3.03 0.00 0.00 36.82 35.60 1z8m h ILE 61 CO 1.13 0.00 -0.52 -0.54 -0.68 0.00 0.00 178.15 177.54 1z8m s LYS 62 N -4.99 1.18 0.00 2.37 1.02 -1.24 -4.99 119.74 113.08 1z8m s LYS 62 Ca -0.05 -1.48 0.08 0.00 0.02 0.00 0.00 55.97 54.55 1z8m s LYS 62 Cb 0.17 0.31 0.40 0.00 -0.52 0.00 0.00 37.83 38.18 1z8m s LYS 62 CO 0.65 -0.40 1.16 -2.30 -0.92 0.00 0.00 175.35 173.54 1z8m n PRO 63 N -0.24 0.09 -1.05 -1.68 -0.02 -1.26 -2.10 135.00 128.74 1z8m n PRO 63 Ca -0.01 0.24 0.03 0.00 -2.02 0.00 0.00 63.50 61.74 1z8m n PRO 63 Cb 0.64 -1.50 0.02 0.00 -0.02 0.00 0.00 33.50 32.65 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 -1.34 0.69 -3.87 2.55 9.92 -1.26 -4.96 116.55 118.29 1z8m n ASP 64 Ca 0.03 -2.11 -0.12 0.00 -0.53 0.00 0.00 54.79 52.07 1z8m n ASP 64 Cb 0.07 -0.28 -0.13 0.00 -0.64 0.00 0.00 41.12 40.14 1z8m n ASP 64 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1z8m s VAL 65 N -0.21 0.01 -0.27 2.53 1.01 -0.89 -4.34 120.40 118.23 1z8m s VAL 65 Ca 0.21 -0.07 -0.05 0.00 0.00 0.00 0.00 61.98 62.07 1z8m s VAL 65 Cb 0.24 -0.07 0.15 0.00 0.00 0.00 0.00 36.38 36.70 1z8m s VAL 65 CO -0.10 -0.04 0.55 -1.48 0.00 0.00 0.00 175.10 174.03 1z8m s LEU 66 N -0.11 -1.07 -0.02 3.92 2.34 -0.67 -3.27 118.68 119.80 1z8m s LEU 66 Ca -0.01 1.02 0.07 0.00 0.06 0.00 0.00 54.13 55.27 1z8m s LEU 66 Cb -0.01 1.91 -0.02 0.00 -0.56 0.00 0.00 46.19 47.51 1z8m s LEU 66 CO -0.00 -0.25 -0.24 -1.48 -1.06 0.00 0.00 176.35 173.32 1z8m s LEU 67 N 2.78 2.05 0.21 1.48 0.05 -0.91 0.69 118.68 125.04 1z8m s LEU 67 Ca 0.07 -0.45 -0.14 0.00 0.05 0.00 0.00 54.13 53.66 1z8m s LEU 67 Cb -0.14 -1.26 -0.08 0.00 -2.05 0.00 0.00 46.19 42.67 1z8m s LEU 67 CO -0.18 0.29 0.62 -0.69 -0.55 0.00 0.00 176.35 175.84 1z8m s VAL 68 N -0.52 4.79 0.11 1.48 1.01 0.33 -2.26 120.40 125.34 1z8m s VAL 68 Ca 0.08 0.85 -0.11 0.00 0.00 0.00 0.00 61.98 62.80 1z8m s VAL 68 Cb -0.10 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.58 1z8m s VAL 68 CO -0.00 0.08 0.27 -0.72 0.00 0.00 0.00 175.10 174.73 1z8m s TYR 69 N -1.66 0.10 0.22 5.22 1.13 0.26 0.12 117.35 122.74 1z8m s TYR 69 Ca 0.44 -0.49 0.10 0.00 -1.41 0.00 0.00 57.07 55.71 1z8m s TYR 69 Cb -0.13 0.03 -0.04 0.00 -1.10 0.00 0.00 41.96 40.72 1z8m s TYR 69 CO 0.20 -0.63 -0.12 -1.17 -2.51 0.00 0.00 175.55 171.32 1z8m s LEU 70 N -2.87 2.86 -0.47 -3.49 0.20 0.21 -0.14 118.68 114.98 1z8m s LEU 70 Ca 0.07 -0.73 -0.09 0.00 0.69 0.00 0.00 54.13 54.07 1z8m s LEU 70 Cb 0.04 -1.49 0.12 0.00 -0.43 0.00 0.00 46.19 44.43 1z8m s LEU 70 CO -0.09 0.07 0.34 -0.69 -0.29 0.00 0.00 176.35 175.69 1z8m s VAL 71 N -1.99 4.15 0.75 1.68 1.01 -1.26 -1.60 120.40 123.13 1z8m s VAL 71 Ca 0.27 -1.84 -0.09 0.00 0.00 0.00 0.00 61.98 60.32 1z8m s VAL 71 Cb -0.07 -3.74 0.08 0.00 0.00 0.00 0.00 36.38 32.64 1z8m s VAL 71 CO 0.15 -0.78 1.08 -0.75 0.00 0.00 0.00 175.10 174.81 1z8m s LYS 72 N 1.31 2.02 -0.38 2.72 2.47 0.31 -4.94 119.74 123.25 1z8m s LYS 72 Ca 0.06 -0.19 -0.27 0.00 -1.56 0.00 0.00 55.97 54.02 1z8m s LYS 72 Cb -0.26 -2.09 -0.06 0.00 -1.46 0.00 0.00 37.83 33.96 1z8m s LYS 72 CO -0.01 -1.42 2.31 -0.51 0.16 0.00 0.00 175.35 175.88 1z8m s ASP 73 N -4.56 4.88 -1.88 1.43 1.11 -1.26 -1.89 116.67 114.50 1z8m s ASP 73 Ca 0.62 1.40 0.00 0.00 0.18 0.00 0.00 52.55 54.74 1z8m s ASP 73 Cb -0.10 -2.51 0.00 0.00 1.07 0.00 0.00 42.92 41.38 1z8m s ASP 73 CO 0.46 -2.49 0.00 0.47 1.18 0.00 0.00 175.17 174.80 1z8m n ASP 74 N 14.09 -4.80 -3.75 0.27 8.00 -1.26 -4.92 116.55 124.18 1z8m n ASP 74 Ca 0.33 0.41 -0.13 0.00 0.71 0.00 0.00 54.79 56.12 1z8m n ASP 74 Cb 0.51 -4.27 -0.11 0.00 -0.02 0.00 0.00 41.12 37.23 1z8m n ASP 74 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1z8m s GLU 75 N -3.68 0.39 0.03 -1.24 2.02 -0.79 -4.15 118.70 111.28 1z8m s GLU 75 Ca 0.00 0.51 -0.01 0.00 0.02 0.00 0.00 54.97 55.49 1z8m s GLU 75 Cb 0.00 0.16 -0.04 0.00 0.10 0.00 0.00 34.13 34.35 1z8m s GLU 75 CO 0.00 -0.06 0.19 -1.17 0.02 0.00 0.00 175.26 174.24 1z8m s LEU 76 N 0.36 4.33 -0.02 1.80 2.96 0.94 0.11 118.68 129.15 1z8m s LEU 76 Ca -0.01 0.28 0.00 0.00 -0.22 0.00 0.00 54.13 54.18 1z8m s LEU 76 Cb -0.03 -2.78 0.03 0.00 0.50 0.00 0.00 46.19 43.90 1z8m s LEU 76 CO -0.01 0.21 0.02 0.27 -1.32 0.00 0.00 176.35 175.52 1z8m s ILE 77 N -1.42 0.02 0.45 6.68 -5.25 -0.63 -1.13 121.20 119.91 1z8m s ILE 77 Ca 0.31 0.16 -0.22 0.00 -0.99 0.00 0.00 60.65 59.91 1z8m s ILE 77 Cb -0.13 -0.13 -0.09 0.00 2.95 0.00 0.00 42.46 45.06 1z8m s ILE 77 CO 0.24 0.10 1.05 -0.76 -1.79 0.00 0.00 174.94 173.77 1z8m s LEU 78 N 0.97 3.98 0.00 0.37 1.43 -1.09 0.65 118.68 124.98 1z8m s LEU 78 Ca -0.09 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.00 1z8m s LEU 78 Cb -0.12 -4.39 0.00 0.00 0.03 0.00 0.00 46.19 41.71 1z8m s LEU 78 CO -0.02 -0.66 0.00 -0.11 0.23 0.00 0.00 176.35 175.79 1z8m n LEU 79 N -0.57 0.00 -3.80 1.79 -0.00 0.32 -3.36 117.00 111.38 1z8m n LEU 79 Ca 0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.99 1z8m n LEU 79 Cb 0.51 -0.19 -0.06 0.00 -0.00 0.00 0.00 43.42 43.69 1z8m n LEU 79 CO 0.42 -0.32 0.04 0.00 -0.00 0.00 0.00 177.39 177.52 1z8m s ARG 80 N -0.64 1.03 -0.11 1.96 1.04 -0.58 -1.91 118.95 119.74 1z8m s ARG 80 Ca 0.00 -0.91 0.01 0.00 -1.04 0.00 0.00 55.73 53.79 1z8m s ARG 80 Cb 0.00 0.41 -0.01 0.00 -2.04 0.00 0.00 34.95 33.30 1z8m s ARG 80 CO 0.00 -0.38 -0.15 -1.17 -0.04 0.00 0.00 175.30 173.56 1z8m s LEU 81 N -2.87 2.62 0.00 -1.89 1.98 -1.26 0.12 118.68 117.39 1z8m s LEU 81 Ca 0.07 -0.34 0.05 0.00 -2.89 0.00 0.00 54.13 51.02 1z8m s LEU 81 Cb 0.03 -1.57 -0.02 0.00 0.66 0.00 0.00 46.19 45.29 1z8m s LEU 81 CO -0.08 0.19 0.19 0.61 -1.89 0.00 0.00 176.35 175.37 1z8m n GLY 82 N 3.33 3.22 3.56 7.98 0.00 0.22 -4.67 105.19 118.83 1z8m n GLY 82 Ca -0.18 -1.92 -0.13 0.00 0.00 0.00 0.00 46.02 43.79 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 -2.91 0.68 0.49 1.61 0.01 -1.26 -1.67 113.70 110.65 1z8m s SER 83 Ca 0.27 -1.39 0.22 0.00 1.31 0.00 0.00 55.95 56.36 1z8m s SER 83 Cb 0.01 0.70 1.27 0.00 0.21 0.00 0.00 66.02 68.21 1z8m s SER 83 CO 0.19 -1.37 2.04 -0.74 0.41 0.00 0.00 173.24 173.77 1z8m h HIS 84 N 2.09 0.00 0.00 2.43 2.76 -1.93 0.48 115.15 120.98 1z8m h HIS 84 Ca -0.29 0.00 -0.22 0.00 -2.20 0.00 0.00 60.37 57.66 1z8m h HIS 84 Cb 1.24 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 30.17 1z8m h HIS 84 CO 1.42 0.14 -1.38 0.77 -1.30 0.00 0.00 177.93 177.58 1z8m h SER 85 N 0.00 0.00 0.00 3.26 0.02 -1.93 -3.04 113.55 111.86 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 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 1z8m h SER 85 CO 0.02 0.83 0.00 -0.62 -1.14 0.00 0.00 176.83 175.91 1z8m n GLU 86 N -3.07 0.00 -0.26 3.45 -0.58 -0.88 -4.54 120.64 114.76 1z8m n GLU 86 Ca -0.10 0.19 -0.06 0.00 -0.42 0.00 0.00 57.16 56.77 1z8m n GLU 86 Cb 0.94 -0.62 0.05 0.00 -0.57 0.00 0.00 31.44 31.24 1z8m n GLU 86 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1z8m h LEU 87 N 0.00 0.93 -1.78 -4.62 3.38 -1.17 -3.47 115.31 108.58 1z8m h LEU 87 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 1z8m h LEU 87 Cb 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1z8m h LEU 87 CO 0.00 0.79 0.00 0.49 0.09 0.00 0.00 178.44 179.81