#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ab6 n LEU 6 N 0.00 3.75 -4.59 -4.62 4.77 -1.26 -4.91 117.00 110.13 1ab6 n LEU 6 Ca 0.00 1.11 -0.41 0.00 -0.03 0.00 0.00 56.01 56.67 1ab6 n LEU 6 Cb 0.00 -1.52 -0.06 0.00 -2.33 0.00 0.00 43.42 39.51 1ab6 n LEU 6 CO 0.00 -0.05 0.41 -0.75 -1.33 0.00 0.00 177.39 175.67 1ab6 s LYS 7 N 0.33 3.86 -0.03 3.23 2.20 -1.26 -4.40 119.74 123.66 1ab6 s LYS 7 Ca 0.71 0.28 -0.03 0.00 -0.36 0.00 0.00 55.97 56.57 1ab6 s LYS 7 Cb -0.57 -3.74 -0.04 0.00 -1.51 0.00 0.00 37.83 31.97 1ab6 s LYS 7 CO 0.41 -0.62 0.17 -0.06 -0.36 0.00 0.00 175.35 174.89 1ab6 s PHE 8 N 2.68 3.54 -0.20 4.03 0.40 0.03 -0.79 117.98 127.67 1ab6 s PHE 8 Ca 0.26 0.38 0.01 0.00 -0.60 0.00 0.00 56.93 56.98 1ab6 s PHE 8 Cb -0.15 -1.85 0.03 0.00 0.51 0.00 0.00 43.02 41.56 1ab6 s PHE 8 CO 0.13 0.66 -0.18 -1.17 0.70 0.00 0.00 175.22 175.36 1ab6 s LEU 9 N -1.73 2.42 -0.25 -0.37 2.96 -0.40 -0.35 118.68 120.96 1ab6 s LEU 9 Ca 0.24 -0.78 -0.08 0.00 -0.22 0.00 0.00 54.13 53.29 1ab6 s LEU 9 Cb -0.12 -1.51 -0.03 0.00 0.50 0.00 0.00 46.19 45.03 1ab6 s LEU 9 CO 0.15 -0.04 0.09 -0.69 -1.32 0.00 0.00 176.35 174.55 1ab6 s VAL 10 N 1.26 4.53 -0.28 1.68 1.01 0.81 -1.08 120.40 128.33 1ab6 s VAL 10 Ca 0.02 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.91 1ab6 s VAL 10 Cb -0.14 -3.12 0.06 0.00 0.00 0.00 0.00 36.38 33.17 1ab6 s VAL 10 CO -0.11 0.33 -0.05 -0.69 0.00 0.00 0.00 175.10 174.58 1ab6 s VAL 11 N 1.52 2.54 -0.22 2.92 1.01 0.28 -0.67 120.40 127.78 1ab6 s VAL 11 Ca 0.06 -1.56 -0.20 0.00 0.00 0.00 0.00 61.98 60.28 1ab6 s VAL 11 Cb -0.15 -2.49 0.06 0.00 0.00 0.00 0.00 36.38 33.80 1ab6 s VAL 11 CO 0.05 -0.09 0.60 -0.62 0.00 0.00 0.00 175.10 175.03 1ab6 s ASP 12 N 1.17 -0.64 0.00 3.32 -1.08 -0.89 -0.94 116.67 117.62 1ab6 s ASP 12 Ca -0.07 1.21 0.29 0.00 -0.52 0.00 0.00 52.55 53.47 1ab6 s ASP 12 Cb -0.20 1.21 1.35 0.00 -1.46 0.00 0.00 42.92 43.82 1ab6 s ASP 12 CO -0.03 -0.21 1.96 -0.90 0.52 0.00 0.00 175.17 176.51 1ab6 n ASP 13 N 2.90 0.09 -4.44 -0.34 5.75 -1.17 -4.36 116.55 114.98 1ab6 n ASP 13 Ca -0.14 -0.01 -0.44 0.00 -0.01 0.00 0.00 54.79 54.19 1ab6 n ASP 13 Cb 0.56 -0.30 -0.07 0.00 -1.03 0.00 0.00 41.12 40.28 1ab6 n ASP 13 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1ab6 s ASN 14 N -2.71 6.19 0.29 -1.12 3.84 -1.26 -4.95 114.94 115.22 1ab6 s ASN 14 Ca 0.23 -1.00 0.04 0.00 0.21 0.00 0.00 52.86 52.34 1ab6 s ASN 14 Cb 0.20 -2.24 0.70 0.00 -0.55 0.00 0.00 41.25 39.35 1ab6 s ASN 14 CO 0.50 -0.75 1.73 -1.28 -2.79 0.00 0.00 177.10 174.51 1ab6 h SER 15 N 8.87 0.52 -0.05 -4.21 0.87 -2.00 -1.70 113.55 115.84 1ab6 h SER 15 Ca -0.28 0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1ab6 h SER 15 Cb 1.10 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 63.11 1ab6 h SER 15 CO 0.90 0.13 0.03 0.74 -0.53 0.00 0.00 176.83 178.10 1ab6 h THR 16 N 0.55 1.09 -0.64 2.23 2.02 -1.97 -1.78 112.91 114.41 1ab6 h THR 16 Ca 0.55 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 67.47 1ab6 h THR 16 Cb 0.94 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 68.47 1ab6 h THR 16 CO -0.45 0.07 0.37 -0.03 0.37 0.00 0.00 175.52 175.86 1ab6 h MET 17 N -0.01 0.87 -0.03 6.66 -1.53 -1.76 0.25 114.93 119.38 1ab6 h MET 17 Ca 0.02 -0.08 -0.08 0.00 -3.44 0.00 0.00 59.70 56.12 1ab6 h MET 17 Cb 0.09 -0.18 -0.01 0.00 -0.55 0.00 0.00 31.60 30.95 1ab6 h MET 17 CO -0.00 0.62 -0.36 0.00 0.14 0.00 0.00 176.91 177.31 1ab6 h ARG 18 N 0.88 0.06 -0.10 0.39 3.08 -1.10 -0.43 114.38 117.16 1ab6 h ARG 18 Ca 0.23 -0.02 -0.23 0.00 0.07 0.00 0.00 59.98 60.02 1ab6 h ARG 18 Cb -0.02 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.04 1ab6 h ARG 18 CO -0.04 0.42 -0.86 0.00 -1.07 0.00 0.00 179.97 178.41 1ab6 h ARG 19 N 0.05 0.72 0.40 0.04 3.08 -0.06 -2.03 114.38 116.58 1ab6 h ARG 19 Ca 0.00 -0.64 -0.02 0.00 0.07 0.00 0.00 59.98 59.39 1ab6 h ARG 19 Cb 0.66 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.87 1ab6 h ARG 19 CO 0.05 1.24 -0.19 0.82 -1.07 0.00 0.00 179.97 180.82 1ab6 h ILE 20 N 0.46 0.60 -0.93 2.04 2.04 -0.23 -1.83 117.51 119.66 1ab6 h ILE 20 Ca -0.07 -0.29 0.02 0.00 1.00 0.00 0.00 64.86 65.52 1ab6 h ILE 20 Cb 1.49 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 38.27 1ab6 h ILE 20 CO 0.17 0.05 0.61 0.58 0.00 0.00 0.00 178.15 179.57 1ab6 h VAL 21 N -0.70 1.20 -0.74 1.67 2.07 -1.17 -1.23 116.25 117.35 1ab6 h VAL 21 Ca -0.05 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 1ab6 h VAL 21 Cb 0.50 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 1ab6 h VAL 21 CO 0.09 0.22 0.29 -0.09 0.02 0.00 0.00 177.57 178.10 1ab6 h ARG 22 N 1.22 1.11 -0.01 1.57 2.43 -1.25 -1.50 114.38 117.94 1ab6 h ARG 22 Ca 0.35 -0.21 -0.12 0.00 -0.81 0.00 0.00 59.98 59.20 1ab6 h ARG 22 Cb -0.07 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.28 1ab6 h ARG 22 CO -0.09 0.91 -0.54 -0.91 -1.51 0.00 0.00 179.97 177.83 1ab6 h ASN 23 N 1.07 0.04 -0.33 -3.80 4.21 -0.70 -1.42 115.58 114.65 1ab6 h ASN 23 Ca 0.25 -0.02 -0.12 0.00 1.21 0.00 0.00 56.30 57.61 1ab6 h ASN 23 Cb 0.22 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.40 1ab6 h ASN 23 CO -0.02 0.58 -0.27 -0.07 -1.29 0.00 0.00 177.43 176.36 1ab6 h LEU 24 N 0.03 0.81 -0.21 1.61 3.38 -0.95 0.89 115.31 120.88 1ab6 h LEU 24 Ca -0.00 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 1ab6 h LEU 24 Cb 0.97 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 1ab6 h LEU 24 CO 0.07 1.09 0.04 -0.07 0.09 0.00 0.00 178.44 179.66 1ab6 h LEU 25 N 0.54 0.34 -1.08 1.67 3.38 -1.17 -2.06 115.31 116.93 1ab6 h LEU 25 Ca 0.06 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 57.81 1ab6 h LEU 25 Cb 0.84 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.44 1ab6 h LEU 25 CO 0.07 0.51 0.62 0.50 0.09 0.00 0.00 178.44 180.23 1ab6 h LYS 26 N 0.15 1.16 0.00 1.13 3.64 -0.65 0.11 116.57 122.12 1ab6 h LYS 26 Ca 0.07 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1ab6 h LYS 26 Cb 0.32 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1ab6 h LYS 26 CO 0.00 0.77 -0.07 1.49 -2.27 0.00 0.00 179.45 179.38 1ab6 h GLU 27 N 1.20 0.00 -0.12 1.90 4.81 -0.49 -0.23 114.58 121.64 1ab6 h GLU 27 Ca 0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 1ab6 h GLU 27 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1ab6 h GLU 27 CO -0.11 0.07 0.00 1.28 -0.73 0.00 0.00 179.01 179.51 1ab6 n LEU 28 N -3.63 2.94 0.00 1.64 4.77 0.26 -4.97 117.00 118.01 1ab6 n LEU 28 Ca -0.02 -1.07 0.00 0.00 -0.03 0.00 0.00 56.01 54.89 1ab6 n LEU 28 Cb 0.17 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1ab6 n LEU 28 CO 0.28 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 1ab6 n GLY 29 N 1.37 1.50 3.62 -0.72 0.00 -0.10 -5.07 105.19 105.80 1ab6 n GLY 29 Ca 0.16 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1ab6 n GLY 29 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ab6 s PHE 30 N -1.62 2.58 -0.41 1.61 0.08 -0.43 -4.85 117.98 114.93 1ab6 s PHE 30 Ca 0.00 0.80 0.08 0.00 0.12 0.00 0.00 56.93 57.94 1ab6 s PHE 30 Cb 0.00 -3.99 -0.09 0.00 -0.57 0.00 0.00 43.02 38.37 1ab6 s PHE 30 CO 0.00 -1.87 0.37 0.27 -0.10 0.00 0.00 175.22 173.88 1ab6 n ASN 31 N 7.91 0.42 -3.83 1.36 6.94 -1.26 -2.03 115.26 124.77 1ab6 n ASN 31 Ca 0.15 -0.71 -0.42 0.00 -0.02 0.00 0.00 54.58 53.58 1ab6 n ASN 31 Cb 0.47 0.98 0.00 0.00 -2.36 0.00 0.00 39.78 38.87 1ab6 n ASN 31 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1ab6 n ASN 32 N -1.17 4.84 -4.61 0.53 5.15 -1.26 -4.92 115.26 113.82 1ab6 n ASN 32 Ca 0.02 -3.06 -0.32 0.00 -0.60 0.00 0.00 54.58 50.61 1ab6 n ASN 32 Cb 0.13 -1.51 -0.10 0.00 -0.53 0.00 0.00 39.78 37.77 1ab6 n ASN 32 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1ab6 s VAL 33 N 0.95 3.74 0.16 3.44 1.01 -1.26 -0.79 120.40 127.64 1ab6 s VAL 33 Ca 0.41 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.76 1ab6 s VAL 33 Cb 0.11 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 1ab6 s VAL 33 CO -0.01 0.42 -0.14 -1.61 0.00 0.00 0.00 175.10 173.76 1ab6 s GLU 34 N -1.34 1.15 0.03 2.72 0.41 0.53 -4.92 118.70 117.28 1ab6 s GLU 34 Ca 0.17 -1.42 0.06 0.00 -0.41 0.00 0.00 54.97 53.37 1ab6 s GLU 34 Cb -0.11 -0.95 -0.02 0.00 -1.78 0.00 0.00 34.13 31.27 1ab6 s GLU 34 CO 0.07 0.16 -0.19 -1.21 -0.49 0.00 0.00 175.26 173.61 1ab6 s GLU 35 N -3.24 1.31 0.02 1.61 2.02 -1.26 -0.14 118.70 119.03 1ab6 s GLU 35 Ca 0.16 -0.83 0.02 0.00 0.02 0.00 0.00 54.97 54.34 1ab6 s GLU 35 Cb -0.02 -1.37 -0.02 0.00 0.10 0.00 0.00 34.13 32.83 1ab6 s GLU 35 CO 0.04 0.35 -0.07 0.00 0.02 0.00 0.00 175.26 175.60 1ab6 s ALA 36 N -0.71 0.58 -0.50 5.21 0.00 0.15 -4.92 121.76 121.57 1ab6 s ALA 36 Ca 0.06 -0.57 0.24 0.00 0.00 0.00 0.00 51.96 51.69 1ab6 s ALA 36 Cb -0.08 -0.04 0.26 0.00 0.00 0.00 0.00 23.12 23.27 1ab6 s ALA 36 CO 0.01 0.05 1.29 0.93 0.00 0.00 0.00 175.76 178.04 1ab6 h GLU 37 N 5.11 0.00 -2.07 0.00 5.08 -1.86 -2.35 114.58 118.48 1ab6 h GLU 37 Ca -0.33 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.24 1ab6 h GLU 37 Cb 1.20 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.34 1ab6 h GLU 37 CO 0.45 0.00 0.59 0.16 -1.00 0.00 0.00 179.01 179.20 1ab6 s ASP 38 N -4.78 -0.16 0.31 1.42 1.47 -1.26 -3.03 116.67 110.63 1ab6 s ASP 38 Ca 0.04 -0.28 0.07 0.00 1.18 0.00 0.00 52.55 53.57 1ab6 s ASP 38 Cb 0.11 0.38 0.82 0.00 -0.34 0.00 0.00 42.92 43.89 1ab6 s ASP 38 CO 0.73 -0.69 1.71 1.23 0.68 0.00 0.00 175.17 178.83 1ab6 h GLY 39 N 2.00 1.75 0.82 2.12 0.00 -1.04 0.16 103.07 108.88 1ab6 h GLY 39 Ca -0.25 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 46.83 1ab6 h GLY 39 CO 0.27 -0.26 0.00 -2.08 0.00 0.00 0.00 176.54 174.47 1ab6 h VAL 40 N 0.50 1.15 -0.23 4.60 2.07 -1.87 0.40 116.25 122.87 1ab6 h VAL 40 Ca 0.61 -0.43 -0.03 0.00 0.82 0.00 0.00 66.70 67.67 1ab6 h VAL 40 Cb 1.16 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 1ab6 h VAL 40 CO -0.50 0.11 0.01 -0.78 0.02 0.00 0.00 177.57 176.43 1ab6 h ASP 41 N -0.18 0.30 -0.14 0.57 3.58 -1.75 -1.28 116.42 117.53 1ab6 h ASP 41 Ca 0.00 -0.04 -0.05 0.00 0.42 0.00 0.00 57.03 57.36 1ab6 h ASP 41 Cb 0.18 -0.08 -0.00 0.00 1.72 0.00 0.00 39.33 41.15 1ab6 h ASP 41 CO -0.00 0.36 -0.09 0.00 -2.88 0.00 0.00 179.24 176.63 1ab6 h ALA 42 N 1.69 0.20 -0.83 -0.78 0.00 -0.69 -2.95 119.26 115.90 1ab6 h ALA 42 Ca 0.08 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.73 1ab6 h ALA 42 Cb 0.21 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1ab6 h ALA 42 CO 0.00 0.02 0.55 -0.07 0.00 0.00 0.00 179.25 179.76 1ab6 h LEU 43 N -0.04 0.90 -1.65 0.00 3.38 -0.30 0.35 115.31 117.95 1ab6 h LEU 43 Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ab6 h LEU 43 Cb 0.58 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1ab6 h LEU 43 CO 0.03 0.63 0.21 -1.13 0.09 0.00 0.00 178.44 178.26 1ab6 h ASN 44 N 1.05 0.38 0.17 -0.43 -1.24 -1.17 -0.40 115.58 113.95 1ab6 h ASN 44 Ca 0.32 -0.01 -0.36 0.00 0.71 0.00 0.00 56.30 56.96 1ab6 h ASN 44 Cb -0.01 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 38.93 1ab6 h ASN 44 CO -0.09 0.29 -1.91 0.11 -1.29 0.00 0.00 177.43 174.54 1ab6 h LYS 45 N 0.45 0.29 -0.58 6.67 1.57 -1.00 -3.32 116.57 120.65 1ab6 h LYS 45 Ca 0.12 -0.49 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 1ab6 h LYS 45 Cb -0.03 0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1ab6 h LYS 45 CO -0.02 1.21 0.32 -0.07 -0.57 0.00 0.00 179.45 180.31 1ab6 h LEU 46 N 0.08 0.71 -1.25 2.94 3.38 -0.18 0.20 115.31 121.18 1ab6 h LEU 46 Ca -0.39 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1ab6 h LEU 46 Cb 2.05 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.62 1ab6 h LEU 46 CO 0.11 0.58 0.00 1.56 0.09 0.00 0.00 178.44 180.78 1ab6 h GLN 47 N 0.81 0.00 0.00 1.13 4.20 -1.20 -0.97 115.11 119.07 1ab6 h GLN 47 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 1ab6 h GLN 47 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1ab6 h GLN 47 CO -0.03 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.13 1ab6 n ALA 48 N -1.92 2.25 -0.57 3.87 0.00 0.68 -5.01 120.51 119.81 1ab6 n ALA 48 Ca 0.01 -0.11 0.07 0.00 0.00 0.00 0.00 53.44 53.42 1ab6 n ALA 48 Cb 0.23 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.23 1ab6 n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ab6 n GLY 49 N 1.07 -2.04 0.00 0.00 0.00 -0.37 -4.98 105.19 98.87 1ab6 n GLY 49 Ca 0.09 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.76 1ab6 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ab6 n GLY 50 N -2.97 2.78 3.79 -0.02 0.00 -1.26 -4.89 105.19 102.62 1ab6 n GLY 50 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1ab6 n GLY 50 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ab6 s TYR 51 N -2.71 3.68 0.00 1.61 1.51 -1.26 -4.56 117.35 115.62 1ab6 s TYR 51 Ca 0.00 1.70 0.00 0.00 -1.01 0.00 0.00 57.07 57.76 1ab6 s TYR 51 Cb 0.00 -2.86 0.00 0.00 -0.11 0.00 0.00 41.96 38.99 1ab6 s TYR 51 CO 0.00 0.23 0.57 0.41 -1.11 0.00 0.00 175.55 175.66 1ab6 n GLY 52 N 0.57 -0.03 3.64 0.71 0.00 0.03 -4.95 105.19 105.17 1ab6 n GLY 52 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 1ab6 n GLY 52 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ab6 s PHE 53 N -0.28 -0.52 -0.01 1.61 2.19 -1.10 -4.30 117.98 115.58 1ab6 s PHE 53 Ca 0.00 1.22 0.07 0.00 0.33 0.00 0.00 56.93 58.55 1ab6 s PHE 53 Cb 0.00 0.36 -0.02 0.00 -1.31 0.00 0.00 43.02 42.06 1ab6 s PHE 53 CO 0.00 -0.25 -0.21 0.08 1.83 0.00 0.00 175.22 176.66 1ab6 s VAL 54 N 0.45 1.68 -0.12 3.12 1.01 0.46 -1.27 120.40 125.73 1ab6 s VAL 54 Ca 0.01 -0.95 -0.00 0.00 0.00 0.00 0.00 61.98 61.04 1ab6 s VAL 54 Cb -0.05 -1.41 0.02 0.00 0.00 0.00 0.00 36.38 34.95 1ab6 s VAL 54 CO -0.08 0.44 -0.10 -0.63 0.00 0.00 0.00 175.10 174.74 1ab6 s ILE 55 N -0.54 1.21 0.04 2.22 1.01 -0.24 -0.21 121.20 124.69 1ab6 s ILE 55 Ca 0.08 -0.41 0.04 0.00 0.00 0.00 0.00 60.65 60.36 1ab6 s ILE 55 Cb -0.08 -1.19 -0.02 0.00 0.01 0.00 0.00 42.46 41.18 1ab6 s ILE 55 CO -0.00 0.40 -0.11 -0.94 0.00 0.00 0.00 174.94 174.29 1ab6 s SER 56 N 1.60 1.24 0.57 3.58 1.04 0.73 -0.55 113.70 121.90 1ab6 s SER 56 Ca 0.04 -0.48 -0.15 0.00 0.48 0.00 0.00 55.95 55.85 1ab6 s SER 56 Cb -0.13 -0.04 -0.05 0.00 0.10 0.00 0.00 66.02 65.90 1ab6 s SER 56 CO -0.09 -0.07 1.02 -0.62 0.98 0.00 0.00 173.24 174.46 1ab6 s ASP 57 N -1.29 6.22 0.04 7.02 2.15 -0.12 0.50 116.67 131.19 1ab6 s ASP 57 Ca -0.03 1.62 -0.17 0.00 0.43 0.00 0.00 52.55 54.39 1ab6 s ASP 57 Cb -0.08 -2.51 -0.25 0.00 -0.30 0.00 0.00 42.92 39.78 1ab6 s ASP 57 CO 0.01 -0.86 1.11 -0.25 -0.17 0.00 0.00 175.17 175.01 1ab6 h TRP 58 N 0.44 0.85 -3.70 -5.34 2.91 -1.61 -3.20 115.95 106.31 1ab6 h TRP 58 Ca -0.46 -0.49 -0.69 0.00 1.13 0.00 0.00 58.89 58.38 1ab6 h TRP 58 Cb 1.20 -0.09 -0.32 0.00 -0.51 0.00 0.00 29.16 29.44 1ab6 h TRP 58 CO 0.63 1.33 -0.65 -0.80 -1.03 0.00 0.00 178.44 177.91 1ab6 s ASN 59 N -7.11 5.05 0.04 2.65 0.02 -1.26 -1.02 114.94 113.31 1ab6 s ASN 59 Ca -0.11 -1.39 -0.02 0.00 -1.02 0.00 0.00 52.86 50.32 1ab6 s ASN 59 Cb 0.05 -1.77 -0.03 0.00 0.02 0.00 0.00 41.25 39.53 1ab6 s ASN 59 CO 0.88 -0.33 0.01 -0.04 0.02 0.00 0.00 177.10 177.64 1ab6 s MET 60 N 1.26 0.53 0.99 -0.60 -1.94 -1.26 -4.82 119.30 113.46 1ab6 s MET 60 Ca -0.02 -0.94 -0.16 0.00 -1.71 0.00 0.00 55.69 52.86 1ab6 s MET 60 Cb -0.20 0.19 0.21 0.00 2.01 0.00 0.00 34.83 37.04 1ab6 s MET 60 CO -0.01 -0.11 1.29 -1.25 -0.01 0.00 0.00 175.02 174.93 1ab6 s PRO 61 N -2.97 0.46 0.00 2.03 0.04 -1.26 -3.49 135.00 129.81 1ab6 s PRO 61 Ca -0.02 -0.35 0.00 0.00 0.04 0.00 0.00 61.00 60.67 1ab6 s PRO 61 Cb 0.01 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1ab6 s PRO 61 CO -0.06 -2.55 0.00 0.09 0.04 0.00 0.00 177.00 174.52 1ab6 n ASN 62 N -3.87 0.00 -3.61 6.66 3.02 -1.26 -4.24 115.26 111.95 1ab6 n ASN 62 Ca 0.15 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.47 1ab6 n ASN 62 Cb 0.59 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.60 1ab6 n ASN 62 CO 0.00 0.00 0.00 -0.32 -2.62 0.00 0.00 177.26 174.32 1ab6 s MET 63 N 0.00 0.04 1.32 3.52 1.75 -1.26 -4.91 119.30 119.76 1ab6 s MET 63 Ca 0.00 0.14 -0.22 0.00 -1.25 0.00 0.00 55.69 54.36 1ab6 s MET 63 Cb 0.00 -1.26 0.33 0.00 2.84 0.00 0.00 34.83 36.75 1ab6 s MET 63 CO 0.00 -0.55 0.99 -0.40 -0.65 0.00 0.00 175.02 174.41 1ab6 n ASP 64 N 5.30 -2.98 -0.13 1.11 5.75 -1.23 -0.55 116.55 123.82 1ab6 n ASP 64 Ca -0.06 -1.04 -0.12 0.00 -0.01 0.00 0.00 54.79 53.56 1ab6 n ASP 64 Cb 0.49 -0.99 -0.02 0.00 -1.03 0.00 0.00 41.12 39.57 1ab6 n ASP 64 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 1ab6 h GLY 65 N -3.08 0.95 1.69 6.12 0.00 -1.07 -2.45 103.07 105.22 1ab6 h GLY 65 Ca -0.40 -0.90 -0.13 0.00 0.00 0.00 0.00 47.33 45.91 1ab6 h GLY 65 CO 0.25 0.81 -0.46 -2.00 0.00 0.00 0.00 176.54 175.15 1ab6 h LEU 66 N 0.68 0.36 -0.10 3.11 5.85 -1.84 -2.56 115.31 120.81 1ab6 h LEU 66 Ca 0.08 -0.17 -0.24 0.00 0.84 0.00 0.00 57.88 58.39 1ab6 h LEU 66 Cb 0.84 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.77 1ab6 h LEU 66 CO 0.07 0.78 -0.99 -0.33 -0.34 0.00 0.00 178.44 177.63 1ab6 h GLU 67 N 0.28 0.50 -0.63 1.25 4.39 -1.93 -2.67 114.58 115.78 1ab6 h GLU 67 Ca 0.02 -0.55 -0.02 0.00 0.34 0.00 0.00 59.36 59.15 1ab6 h GLU 67 Cb 0.92 0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.70 1ab6 h GLU 67 CO 0.08 1.19 0.31 1.25 -1.16 0.00 0.00 179.01 180.67 1ab6 h LEU 68 N 0.28 0.79 -0.32 1.33 5.85 -1.40 0.20 115.31 122.04 1ab6 h LEU 68 Ca -0.10 -0.08 -0.15 0.00 0.84 0.00 0.00 57.88 58.39 1ab6 h LEU 68 Cb 1.64 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.46 1ab6 h LEU 68 CO 0.18 0.67 -0.39 0.25 -0.34 0.00 0.00 178.44 178.81 1ab6 h LEU 69 N 0.88 0.89 -0.72 2.25 5.85 -1.46 0.56 115.31 123.57 1ab6 h LEU 69 Ca 0.22 -0.49 -0.09 0.00 0.84 0.00 0.00 57.88 58.37 1ab6 h LEU 69 Cb 0.08 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1ab6 h LEU 69 CO -0.03 1.20 0.04 0.11 -0.34 0.00 0.00 178.44 179.42 1ab6 h LYS 70 N 0.61 1.02 -0.17 1.25 1.57 -1.13 -0.39 116.57 119.32 1ab6 h LYS 70 Ca 0.04 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.50 1ab6 h LYS 70 Cb 0.98 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.17 1ab6 h LYS 70 CO 0.09 0.98 -0.00 1.15 -0.57 0.00 0.00 179.45 181.10 1ab6 h THR 71 N 0.95 1.25 0.30 -0.16 2.02 -0.87 0.02 112.91 116.42 1ab6 h THR 71 Ca 0.18 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 1ab6 h THR 71 Cb 0.49 1.49 -0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1ab6 h THR 71 CO 0.02 0.26 -0.17 0.40 0.37 0.00 0.00 175.52 176.40 1ab6 h ILE 72 N 0.05 0.64 -0.74 3.11 2.04 -0.72 -2.57 117.51 119.32 1ab6 h ILE 72 Ca 0.05 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.92 1ab6 h ILE 72 Cb 0.39 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 37.07 1ab6 h ILE 72 CO 0.01 0.00 0.49 0.03 0.00 0.00 0.00 178.15 178.68 1ab6 h ARG 73 N -0.45 0.96 0.00 2.37 2.47 -1.08 -2.35 114.38 116.30 1ab6 h ARG 73 Ca -0.03 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.63 1ab6 h ARG 73 Cb 0.36 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.47 1ab6 h ARG 73 CO 0.04 0.63 0.00 0.00 0.56 0.00 0.00 179.97 181.21 1ab6 h ALA 74 N 1.54 1.00 -2.71 0.04 0.00 -0.76 -3.41 119.26 114.96 1ab6 h ALA 74 Ca 0.27 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.57 1ab6 h ALA 74 Cb -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.57 1ab6 h ALA 74 CO -0.06 0.00 -0.10 0.34 0.00 0.00 0.00 179.25 179.43 1ab6 s ASP 75 N -5.43 6.45 0.23 0.00 -1.08 -0.89 -4.98 116.67 110.97 1ab6 s ASP 75 Ca 0.02 0.54 -0.06 0.00 -0.52 0.00 0.00 52.55 52.52 1ab6 s ASP 75 Cb 0.09 -2.26 0.35 0.00 -1.46 0.00 0.00 42.92 39.64 1ab6 s ASP 75 CO 0.51 -0.18 1.79 1.23 0.52 0.00 0.00 175.17 179.04 1ab6 h GLY 76 N 8.20 1.12 1.98 2.66 0.00 -1.84 0.70 103.07 115.89 1ab6 h GLY 76 Ca -0.33 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 46.71 1ab6 h GLY 76 CO 0.71 0.08 -0.23 0.00 0.00 0.00 0.00 176.54 177.11 1ab6 h ALA 77 N 1.43 1.60 -0.29 3.60 0.00 -1.93 -2.75 119.26 120.92 1ab6 h ALA 77 Ca 0.36 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1ab6 h ALA 77 Cb 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1ab6 h ALA 77 CO -0.26 0.30 0.00 -1.33 0.00 0.00 0.00 179.25 177.96 1ab6 n MET 78 N -4.26 2.89 -0.19 0.00 2.81 -0.37 -4.66 117.12 113.34 1ab6 n MET 78 Ca -0.02 -2.44 -0.05 0.00 -1.81 0.00 0.00 57.70 53.38 1ab6 n MET 78 Cb 0.29 -1.55 0.11 0.00 -0.71 0.00 0.00 33.22 31.36 1ab6 n MET 78 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1ab6 h SER 79 N 1.85 0.93 0.02 7.83 0.87 0.67 -3.23 113.55 122.49 1ab6 h SER 79 Ca 0.00 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 1ab6 h SER 79 Cb 1.08 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1ab6 h SER 79 CO 0.11 0.91 -0.02 0.00 -0.53 0.00 0.00 176.83 177.30 1ab6 n ALA 80 N -2.46 2.64 -2.09 6.23 0.00 -1.26 -4.79 120.51 118.78 1ab6 n ALA 80 Ca 0.04 -0.37 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 1ab6 n ALA 80 Cb 0.26 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 1ab6 n ALA 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ab6 s LEU 81 N -2.05 4.36 0.13 0.00 1.43 -1.22 -4.97 118.68 116.37 1ab6 s LEU 81 Ca 0.39 2.40 -0.30 0.00 -1.03 0.00 0.00 54.13 55.58 1ab6 s LEU 81 Cb 0.21 -3.58 -0.07 0.00 0.03 0.00 0.00 46.19 42.78 1ab6 s LEU 81 CO 0.36 -0.73 1.19 -2.84 0.23 0.00 0.00 176.35 174.56 1ab6 s PRO 82 N 1.45 4.48 -0.21 1.29 0.02 -1.26 -4.91 135.00 135.86 1ab6 s PRO 82 Ca 0.67 1.82 0.01 0.00 0.02 0.00 0.00 61.00 63.52 1ab6 s PRO 82 Cb -0.38 -3.29 0.04 0.00 0.02 0.00 0.00 34.50 30.89 1ab6 s PRO 82 CO 0.30 -0.14 -0.11 0.08 -0.33 0.00 0.00 177.00 176.80 1ab6 s VAL 83 N 0.40 1.78 -0.26 3.83 1.01 -1.26 -0.40 120.40 125.50 1ab6 s VAL 83 Ca 0.55 -1.13 -0.10 0.00 0.00 0.00 0.00 61.98 61.30 1ab6 s VAL 83 Cb -0.31 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.18 1ab6 s VAL 83 CO 0.33 0.16 0.16 -0.22 0.00 0.00 0.00 175.10 175.53 1ab6 s LEU 84 N 1.33 3.92 -0.15 3.92 2.96 0.70 -1.57 118.68 129.79 1ab6 s LEU 84 Ca -0.02 -0.02 -0.19 0.00 -0.22 0.00 0.00 54.13 53.68 1ab6 s LEU 84 Cb -0.17 -2.08 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 1ab6 s LEU 84 CO -0.08 -0.02 0.52 -0.04 -1.32 0.00 0.00 176.35 175.41 1ab6 s MET 85 N 1.57 4.29 -0.12 1.98 -1.94 -0.10 -0.19 119.30 124.79 1ab6 s MET 85 Ca 0.07 0.48 -0.06 0.00 -1.71 0.00 0.00 55.69 54.47 1ab6 s MET 85 Cb -0.15 -3.49 -0.04 0.00 2.01 0.00 0.00 34.83 33.16 1ab6 s MET 85 CO 0.08 0.02 0.11 0.95 -0.01 0.00 0.00 175.02 176.17 1ab6 s THR 86 N 1.08 5.25 0.30 2.05 -4.23 0.18 -0.21 115.64 120.06 1ab6 s THR 86 Ca 0.26 0.11 -0.05 0.00 -1.18 0.00 0.00 61.69 60.84 1ab6 s THR 86 Cb -0.15 -3.28 -0.01 0.00 1.34 0.00 0.00 72.50 70.40 1ab6 s THR 86 CO 0.11 0.61 0.43 0.28 -0.54 0.00 0.00 174.62 175.50 1ab6 s THR 87 N -0.96 0.00 -0.09 3.99 -1.32 0.97 -1.46 115.64 116.77 1ab6 s THR 87 Ca 0.14 -1.61 0.03 0.00 -1.21 0.00 0.00 61.69 59.04 1ab6 s THR 87 Cb -0.12 -2.51 0.00 0.00 -1.51 0.00 0.00 72.50 68.37 1ab6 s THR 87 CO 0.03 0.00 -0.20 0.00 -2.21 0.00 0.00 174.62 172.24 1ab6 s ALA 88 N -3.45 1.91 0.00 11.08 0.00 -1.26 0.63 121.76 130.67 1ab6 s ALA 88 Ca 0.30 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1ab6 s ALA 88 Cb 0.01 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.36 1ab6 s ALA 88 CO 0.16 0.20 0.00 -1.91 0.00 0.00 0.00 175.76 174.22 1ab6 n GLU 89 N 3.68 0.00 -2.90 0.00 2.13 -1.26 -4.67 120.64 117.61 1ab6 n GLU 89 Ca -0.20 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.55 1ab6 n GLU 89 Cb 0.52 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.27 1ab6 n GLU 89 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ab6 n ALA 90 N 0.00 -2.25 -1.76 4.31 0.00 -1.26 -4.98 120.51 114.56 1ab6 n ALA 90 Ca 0.00 0.06 -0.40 0.00 0.00 0.00 0.00 53.44 53.11 1ab6 n ALA 90 Cb 0.00 -3.31 -0.03 0.00 0.00 0.00 0.00 19.45 16.11 1ab6 n ALA 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1ab6 s LYS 91 N -3.64 4.42 0.08 0.00 -2.85 -1.26 -4.81 119.74 111.67 1ab6 s LYS 91 Ca 0.21 1.92 -0.16 0.00 -1.00 0.00 0.00 55.97 56.95 1ab6 s LYS 91 Cb -0.03 -3.02 -0.04 0.00 -2.06 0.00 0.00 37.83 32.68 1ab6 s LYS 91 CO 0.63 -0.03 0.84 0.36 0.10 0.00 0.00 175.35 177.25 1ab6 n LYS 92 N 0.80 -0.22 -0.33 1.78 2.85 -1.26 -0.22 118.16 121.56 1ab6 n LYS 92 Ca 0.01 0.83 0.23 0.00 -1.05 0.00 0.00 58.31 58.32 1ab6 n LYS 92 Cb 0.44 -1.22 0.51 0.00 -0.65 0.00 0.00 35.03 34.12 1ab6 n LYS 92 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1ab6 h GLU 93 N 0.00 0.37 -0.05 -1.58 4.39 -1.98 0.98 114.58 116.70 1ab6 h GLU 93 Ca 0.08 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 1ab6 h GLU 93 Cb 0.21 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.77 1ab6 h GLU 93 CO -0.47 0.25 -0.01 -0.91 -1.16 0.00 0.00 179.01 176.71 1ab6 h ASN 94 N 0.38 0.10 -0.97 1.42 2.35 -0.96 0.13 115.58 118.02 1ab6 h ASN 94 Ca 0.60 -0.34 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 1ab6 h ASN 94 Cb 1.54 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 39.83 1ab6 h ASN 94 CO -0.30 0.42 0.61 0.40 -1.65 0.00 0.00 177.43 176.91 1ab6 h ILE 95 N -0.23 1.26 -0.47 2.81 2.04 -0.88 0.36 117.51 122.40 1ab6 h ILE 95 Ca 0.01 -0.52 -0.08 0.00 1.00 0.00 0.00 64.86 65.28 1ab6 h ILE 95 Cb 0.37 -0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.29 1ab6 h ILE 95 CO 0.00 0.26 -0.00 0.40 0.00 0.00 0.00 178.15 178.81 1ab6 h ILE 96 N 1.33 1.26 -0.38 -0.67 5.03 -0.75 0.34 117.51 123.68 1ab6 h ILE 96 Ca 0.35 -1.06 -0.11 0.00 -0.12 0.00 0.00 64.86 63.92 1ab6 h ILE 96 Cb -0.10 1.02 -0.01 0.00 -3.03 0.00 0.00 36.82 34.69 1ab6 h ILE 96 CO -0.07 0.37 -0.18 0.00 -0.68 0.00 0.00 178.15 177.58 1ab6 h ALA 97 N 0.92 0.53 -0.55 1.87 0.00 -0.10 0.14 119.26 122.07 1ab6 h ALA 97 Ca 0.13 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1ab6 h ALA 97 Cb 0.51 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1ab6 h ALA 97 CO 0.02 0.47 -0.03 0.00 0.00 0.00 0.00 179.25 179.72 1ab6 h ALA 98 N 0.80 0.74 0.38 0.00 0.00 -0.22 0.42 119.26 121.39 1ab6 h ALA 98 Ca 0.08 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1ab6 h ALA 98 Cb 0.74 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ab6 h ALA 98 CO 0.06 0.59 -0.18 0.00 0.00 0.00 0.00 179.25 179.71 1ab6 h ALA 99 N 0.95 -0.52 0.00 0.00 0.00 -0.04 0.11 119.26 119.75 1ab6 h ALA 99 Ca 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1ab6 h ALA 99 Cb 0.57 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1ab6 h ALA 99 CO 0.03 -0.77 -0.04 -0.56 0.00 0.00 0.00 179.25 177.92 1ab6 h GLN 100 N -0.56 0.00 0.00 0.00 3.07 -0.67 -1.18 115.11 115.77 1ab6 h GLN 100 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.69 1ab6 h GLN 100 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.99 1ab6 h GLN 100 CO 0.09 0.04 0.00 0.00 0.09 0.00 0.00 178.83 179.05 1ab6 n ALA 101 N -2.12 2.08 -0.28 0.06 0.00 0.13 -4.91 120.51 115.47 1ab6 n ALA 101 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1ab6 n ALA 101 Cb 0.32 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1ab6 n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ab6 n GLY 102 N 0.89 1.47 3.78 0.00 0.00 -0.45 -4.72 105.19 106.17 1ab6 n GLY 102 Ca 0.04 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 1ab6 n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ab6 s ALA 103 N -2.05 2.90 -0.31 4.61 0.00 -0.02 -4.89 121.76 122.00 1ab6 s ALA 103 Ca 0.00 0.73 0.21 0.00 0.00 0.00 0.00 51.96 52.91 1ab6 s ALA 103 Cb 0.00 -3.30 0.15 0.00 0.00 0.00 0.00 23.12 19.97 1ab6 s ALA 103 CO 0.00 -0.45 1.33 0.77 0.00 0.00 0.00 175.76 177.41 1ab6 h SER 104 N 1.77 0.00 0.00 0.00 0.02 -1.62 -3.45 113.55 110.26 1ab6 h SER 104 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1ab6 h SER 104 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1ab6 h SER 104 CO 0.59 0.10 0.00 0.61 -1.14 0.00 0.00 176.83 177.00 1ab6 n GLY 105 N 1.16 1.25 3.02 -3.77 0.00 -1.21 -4.86 105.19 100.78 1ab6 n GLY 105 Ca 0.01 -0.90 -0.10 0.00 0.00 0.00 0.00 46.02 45.03 1ab6 n GLY 105 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ab6 s TYR 106 N -2.00 0.19 0.02 1.61 1.13 -1.26 -0.93 117.35 116.11 1ab6 s TYR 106 Ca 0.00 -0.40 0.00 0.00 -1.41 0.00 0.00 57.07 55.27 1ab6 s TYR 106 Cb 0.00 -0.14 -0.02 0.00 -1.10 0.00 0.00 41.96 40.70 1ab6 s TYR 106 CO 0.00 -0.22 -0.04 0.54 -2.51 0.00 0.00 175.55 173.32 1ab6 s VAL 107 N -1.41 0.19 -0.20 -3.49 0.11 0.71 -4.92 120.40 111.39 1ab6 s VAL 107 Ca -0.15 -0.86 -0.09 0.00 -2.93 0.00 0.00 61.98 57.94 1ab6 s VAL 107 Cb -0.09 -0.31 -0.05 0.00 -1.53 0.00 0.00 36.38 34.40 1ab6 s VAL 107 CO -0.00 -0.43 0.11 -0.69 -3.33 0.00 0.00 175.10 170.76 1ab6 s VAL 108 N -1.32 5.23 0.25 2.04 1.01 -1.26 -0.02 120.40 126.33 1ab6 s VAL 108 Ca -0.13 0.13 -0.24 0.00 0.00 0.00 0.00 61.98 61.73 1ab6 s VAL 108 Cb -0.09 -3.38 -0.09 0.00 0.00 0.00 0.00 36.38 32.82 1ab6 s VAL 108 CO -0.01 0.44 0.83 -0.54 0.00 0.00 0.00 175.10 175.83 1ab6 s LYS 109 N 0.40 4.48 -0.15 2.72 1.02 0.20 -3.18 119.74 125.23 1ab6 s LYS 109 Ca 0.07 1.14 -0.25 0.00 0.02 0.00 0.00 55.97 56.95 1ab6 s LYS 109 Cb -0.11 -2.95 -0.02 0.00 -0.52 0.00 0.00 37.83 34.22 1ab6 s LYS 109 CO -0.01 0.40 0.80 -2.14 -0.92 0.00 0.00 175.35 173.47 1ab6 s PRO 110 N -1.78 4.31 0.29 -1.68 0.02 -1.26 -4.66 135.00 130.24 1ab6 s PRO 110 Ca 0.44 0.97 0.08 0.00 0.02 0.00 0.00 61.00 62.51 1ab6 s PRO 110 Cb -0.19 -3.55 -0.04 0.00 0.02 0.00 0.00 34.50 30.74 1ab6 s PRO 110 CO 0.24 -0.26 0.18 -0.59 -0.33 0.00 0.00 177.00 176.24 1ab6 s PHE 111 N 1.92 2.93 0.40 6.54 -0.71 -1.19 -5.13 117.98 122.73 1ab6 s PHE 111 Ca 0.38 -0.21 0.08 0.00 -1.04 0.00 0.00 56.93 56.13 1ab6 s PHE 111 Cb -0.17 -1.50 -0.02 0.00 -1.21 0.00 0.00 43.02 40.13 1ab6 s PHE 111 CO 0.13 0.43 0.39 0.95 -1.34 0.00 0.00 175.22 175.78 1ab6 s THR 112 N -2.25 2.96 0.44 -4.49 -4.23 -1.26 -4.94 115.64 101.87 1ab6 s THR 112 Ca 0.35 -1.28 0.13 0.00 -1.18 0.00 0.00 61.69 59.71 1ab6 s THR 112 Cb -0.06 -3.06 0.30 0.00 1.34 0.00 0.00 72.50 71.02 1ab6 s THR 112 CO 0.24 -0.04 2.03 0.00 -0.54 0.00 0.00 174.62 176.31 1ab6 h ALA 113 N 1.01 1.94 -0.56 3.99 0.00 -1.98 0.23 119.26 123.87 1ab6 h ALA 113 Ca -0.42 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.42 1ab6 h ALA 113 Cb 1.27 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 1ab6 h ALA 113 CO 0.55 -0.01 0.14 0.00 0.00 0.00 0.00 179.25 179.93 1ab6 h ALA 114 N 1.76 0.74 -0.27 0.00 0.00 -1.96 0.33 119.26 119.86 1ab6 h ALA 114 Ca 0.19 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1ab6 h ALA 114 Cb 0.28 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1ab6 h ALA 114 CO -0.05 0.44 -0.50 1.15 0.00 0.00 0.00 179.25 180.30 1ab6 h THR 115 N 0.81 1.29 -0.31 0.00 2.02 -1.53 -2.14 112.91 113.05 1ab6 h THR 115 Ca 0.18 -1.70 -0.07 0.00 0.77 0.00 0.00 66.41 65.59 1ab6 h THR 115 Cb 0.34 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 1ab6 h THR 115 CO 0.00 0.55 -0.08 0.25 0.37 0.00 0.00 175.52 176.61 1ab6 h LEU 116 N 0.60 0.60 -0.67 2.58 5.85 -0.37 -2.65 115.31 121.26 1ab6 h LEU 116 Ca 0.02 -0.37 0.05 0.00 0.84 0.00 0.00 57.88 58.43 1ab6 h LEU 116 Cb 1.08 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.90 1ab6 h LEU 116 CO 0.11 0.83 0.39 -0.08 -0.34 0.00 0.00 178.44 179.34 1ab6 h GLU 117 N 0.36 0.70 -0.26 1.25 4.81 -0.26 -0.28 114.58 120.90 1ab6 h GLU 117 Ca 0.08 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1ab6 h GLU 117 Cb 0.57 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1ab6 h GLU 117 CO 0.03 0.46 0.12 0.93 -0.73 0.00 0.00 179.01 179.82 1ab6 h GLU 118 N 0.72 0.24 -0.24 1.92 5.08 -1.29 -1.73 114.58 119.28 1ab6 h GLU 118 Ca 0.29 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1ab6 h GLU 118 Cb 0.14 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1ab6 h GLU 118 CO -0.16 0.16 0.15 0.87 -1.00 0.00 0.00 179.01 179.02 1ab6 h LYS 119 N 0.25 0.33 -0.80 2.33 1.79 -1.04 -1.44 116.57 117.99 1ab6 h LYS 119 Ca 0.11 -0.03 0.04 0.00 -2.18 0.00 0.00 60.65 58.59 1ab6 h LYS 119 Cb 0.05 -0.07 -0.05 0.00 -1.58 0.00 0.00 32.23 30.59 1ab6 h LYS 119 CO -0.09 0.26 0.53 -0.07 -1.08 0.00 0.00 179.45 179.00 1ab6 h LEU 120 N 0.30 0.83 -0.55 2.94 3.38 -0.95 -2.16 115.31 119.10 1ab6 h LEU 120 Ca 0.09 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 1ab6 h LEU 120 Cb 0.02 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1ab6 h LEU 120 CO -0.02 0.57 -0.48 0.78 0.09 0.00 0.00 178.44 179.38 1ab6 h ASN 121 N 0.97 0.67 -0.29 -0.43 -0.26 -0.72 -0.48 115.58 115.03 1ab6 h ASN 121 Ca 0.32 -0.33 -0.12 0.00 -0.56 0.00 0.00 56.30 55.61 1ab6 h ASN 121 Cb 0.07 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.13 1ab6 h ASN 121 CO -0.10 1.04 -0.24 0.11 -1.06 0.00 0.00 177.43 177.19 1ab6 h LYS 122 N 0.49 0.78 0.66 0.81 1.57 -0.98 -0.82 116.57 119.08 1ab6 h LYS 122 Ca 0.03 -0.32 -0.03 0.00 -1.87 0.00 0.00 60.65 58.45 1ab6 h LYS 122 Cb 1.01 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.30 1ab6 h LYS 122 CO 0.09 0.94 -0.32 0.82 -0.57 0.00 0.00 179.45 180.41 1ab6 h ILE 123 N 0.68 0.08 -0.77 1.86 2.04 -1.23 -2.45 117.51 117.72 1ab6 h ILE 123 Ca 0.09 -0.33 0.16 0.00 1.00 0.00 0.00 64.86 65.78 1ab6 h ILE 123 Cb 0.75 0.11 -0.11 0.00 -0.74 0.00 0.00 36.82 36.84 1ab6 h ILE 123 CO 0.06 0.01 0.26 -0.26 0.00 0.00 0.00 178.15 178.23 1ab6 h PHE 124 N -1.19 0.44 -0.46 1.37 0.04 -1.10 -0.89 116.94 115.14 1ab6 h PHE 124 Ca -0.09 0.04 0.05 0.00 2.80 0.00 0.00 57.97 60.77 1ab6 h PHE 124 Cb 0.70 -0.07 -0.05 0.00 2.20 0.00 0.00 35.95 38.73 1ab6 h PHE 124 CO 0.00 -0.01 0.19 0.93 -0.60 0.00 0.00 178.31 178.82 1ab6 h GLU 125 N 0.37 0.37 -0.24 1.51 5.08 -1.10 1.58 114.58 122.14 1ab6 h GLU 125 Ca 0.44 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.76 1ab6 h GLU 125 Cb 0.72 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1ab6 h GLU 125 CO -0.46 0.24 0.12 0.87 -1.00 0.00 0.00 179.01 178.78 1ab6 h LYS 126 N 0.38 0.35 0.00 2.33 1.57 -0.74 -2.80 116.57 117.66 1ab6 h LYS 126 Ca 0.21 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1ab6 h LYS 126 Cb 0.18 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1ab6 h LYS 126 CO -0.19 0.35 0.00 1.28 -0.57 0.00 0.00 179.45 180.32 1ab6 n LEU 127 N -4.83 0.75 0.00 2.94 4.77 -0.46 -4.91 117.00 115.26 1ab6 n LEU 127 Ca -0.03 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 1ab6 n LEU 127 Cb 0.10 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1ab6 n LEU 127 CO 0.35 -0.36 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 1ab6 n GLY 128 N 0.69 0.64 0.51 -0.72 0.00 0.53 -5.05 105.19 101.79 1ab6 n GLY 128 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.20 1ab6 n GLY 128 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47