#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ul7 s SER 2 N 0.00 6.84 0.04 1.61 0.15 -1.26 -5.01 113.70 116.07 1ul7 s SER 2 Ca 0.00 2.40 -0.27 0.00 0.70 0.00 0.00 55.95 58.78 1ul7 s SER 2 Cb 0.00 -2.60 0.07 0.00 -1.71 0.00 0.00 66.02 61.78 1ul7 s SER 2 CO 0.00 -0.60 0.63 -0.55 1.20 0.00 0.00 173.24 173.92 1ul7 s SER 3 N 0.67 -0.60 -0.35 5.45 0.15 -1.26 -5.14 113.70 112.62 1ul7 s SER 3 Ca 0.60 0.39 -0.20 0.00 0.70 0.00 0.00 55.95 57.44 1ul7 s SER 3 Cb -0.37 0.56 -0.00 0.00 -1.71 0.00 0.00 66.02 64.50 1ul7 s SER 3 CO 0.35 -0.76 0.61 -0.83 1.20 0.00 0.00 173.24 173.81 1ul7 s GLY 4 N -1.86 1.77 0.74 9.45 0.00 -1.26 -5.06 107.32 111.10 1ul7 s GLY 4 Ca -0.06 -0.85 -0.06 0.00 0.00 0.00 0.00 44.72 43.75 1ul7 s GLY 4 CO 0.00 1.44 1.05 -0.56 0.00 0.00 0.00 173.10 175.03 1ul7 s SER 5 N 1.76 4.42 -0.17 1.64 0.01 -1.26 -5.11 113.70 114.98 1ul7 s SER 5 Ca 0.23 0.17 -0.33 0.00 1.31 0.00 0.00 55.95 57.33 1ul7 s SER 5 Cb -0.15 -0.65 0.14 0.00 0.21 0.00 0.00 66.02 65.57 1ul7 s SER 5 CO 0.14 -1.84 1.15 -0.94 0.41 0.00 0.00 173.24 172.16 1ul7 s SER 6 N -4.64 -0.19 0.00 2.44 1.04 -1.26 -5.16 113.70 105.93 1ul7 s SER 6 Ca 0.64 0.07 0.00 0.00 0.48 0.00 0.00 55.95 57.14 1ul7 s SER 6 Cb -0.08 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1ul7 s SER 6 CO 0.46 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 175.01 1ul7 n GLY 7 N 0.10 0.90 0.32 7.32 0.00 -1.26 -5.05 105.19 107.52 1ul7 n GLY 7 Ca -0.03 -1.32 -0.17 0.00 0.00 0.00 0.00 46.02 44.51 1ul7 n GLY 7 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1ul7 n ARG 8 N 2.43 0.44 -2.35 1.61 1.85 -1.26 -4.95 116.66 114.43 1ul7 n ARG 8 Ca 0.00 0.19 -0.42 0.00 -1.00 0.00 0.00 57.85 56.61 1ul7 n ARG 8 Cb 0.00 -1.25 -0.03 0.00 -1.05 0.00 0.00 32.46 30.13 1ul7 n ARG 8 CO 0.00 0.00 0.00 0.12 -0.01 0.00 0.00 177.63 177.74 1ul7 s PHE 9 N -2.52 3.00 0.00 2.89 5.36 -1.26 -4.85 117.98 120.60 1ul7 s PHE 9 Ca -0.27 1.01 0.00 0.00 -0.96 0.00 0.00 56.93 56.71 1ul7 s PHE 9 Cb 0.08 -3.54 0.00 0.00 -0.34 0.00 0.00 43.02 39.22 1ul7 s PHE 9 CO 0.36 -1.87 0.00 0.25 -1.46 0.00 0.00 175.22 172.50 1ul7 n THR 10 N 4.71 0.00 -4.22 0.12 -2.24 -1.26 -5.04 114.28 106.34 1ul7 n THR 10 Ca 0.12 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.53 1ul7 n THR 10 Cb 0.45 -0.84 -0.05 0.00 -2.10 0.00 0.00 70.33 67.79 1ul7 n THR 10 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1ul7 n TRP 11 N -2.57 -1.31 -1.76 4.78 -0.00 -1.26 -4.91 117.44 110.40 1ul7 n TRP 11 Ca 0.00 0.39 -0.30 0.00 -0.00 0.00 0.00 57.50 57.59 1ul7 n TRP 11 Cb 0.30 -2.80 0.17 0.00 -0.00 0.00 0.00 31.31 28.98 1ul7 n TRP 11 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 1ul7 s SER 12 N -4.05 3.08 0.05 5.87 1.04 -1.26 -5.06 113.70 113.38 1ul7 s SER 12 Ca 0.20 0.48 0.05 0.00 0.48 0.00 0.00 55.95 57.16 1ul7 s SER 12 Cb -0.11 -0.69 -0.02 0.00 0.10 0.00 0.00 66.02 65.30 1ul7 s SER 12 CO 0.99 -2.77 -0.13 -0.32 0.98 0.00 0.00 173.24 171.99 1ul7 s MET 13 N -5.70 0.86 -0.01 4.02 1.75 -1.26 -5.01 119.30 113.94 1ul7 s MET 13 Ca 0.70 -0.80 -0.03 0.00 -1.25 0.00 0.00 55.69 54.31 1ul7 s MET 13 Cb -0.07 -0.85 -0.01 0.00 2.84 0.00 0.00 34.83 36.74 1ul7 s MET 13 CO 0.53 0.20 -0.07 1.63 -0.65 0.00 0.00 175.02 176.66 1ul7 n LYS 14 N 1.72 0.10 -1.66 4.11 4.76 -1.26 -5.01 118.16 120.92 1ul7 n LYS 14 Ca -0.19 0.04 -0.46 0.00 -2.87 0.00 0.00 58.31 54.83 1ul7 n LYS 14 Cb 0.55 -0.52 -0.04 0.00 -1.84 0.00 0.00 35.03 33.18 1ul7 n LYS 14 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1ul7 n THR 15 N -3.08 0.47 -4.09 -0.18 -1.04 -1.26 -4.99 114.28 100.10 1ul7 n THR 15 Ca -0.03 -0.12 -0.14 0.00 -2.04 0.00 0.00 64.05 61.73 1ul7 n THR 15 Cb 0.10 -1.41 -0.11 0.00 -1.82 0.00 0.00 70.33 67.08 1ul7 n THR 15 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1ul7 s THR 16 N 0.38 0.67 -0.08 12.58 -4.23 -1.26 -4.21 115.64 119.49 1ul7 s THR 16 Ca 0.74 -1.22 -0.01 0.00 -1.18 0.00 0.00 61.69 60.02 1ul7 s THR 16 Cb -0.70 -0.82 0.03 0.00 1.34 0.00 0.00 72.50 72.35 1ul7 s THR 16 CO 0.45 -0.41 -0.03 -0.55 -0.54 0.00 0.00 174.62 173.54 1ul7 s SER 17 N -1.78 1.72 -1.19 3.99 0.15 -1.23 -5.00 113.70 110.36 1ul7 s SER 17 Ca -0.06 -0.16 -0.15 0.00 0.70 0.00 0.00 55.95 56.27 1ul7 s SER 17 Cb -0.08 -0.58 0.14 0.00 -1.71 0.00 0.00 66.02 63.79 1ul7 s SER 17 CO 0.00 -0.15 1.47 -0.94 1.20 0.00 0.00 173.24 174.82 1ul7 s SER 18 N 1.76 6.96 0.10 5.45 1.04 -1.26 -3.13 113.70 124.62 1ul7 s SER 18 Ca 0.03 -2.74 -0.27 0.00 0.48 0.00 0.00 55.95 53.46 1ul7 s SER 18 Cb -0.13 -2.44 0.08 0.00 0.10 0.00 0.00 66.02 63.63 1ul7 s SER 18 CO -0.06 -0.89 1.08 0.00 0.98 0.00 0.00 173.24 174.36 1ul7 s MET 19 N 2.36 0.93 0.63 4.02 0.23 -1.26 -5.07 119.30 121.14 1ul7 s MET 19 Ca 0.44 -0.53 -0.18 0.00 -1.03 0.00 0.00 55.69 54.39 1ul7 s MET 19 Cb -0.01 0.31 -0.02 0.00 -1.53 0.00 0.00 34.83 33.58 1ul7 s MET 19 CO 0.00 -0.43 1.29 -0.51 -2.03 0.00 0.00 175.02 173.35 1ul7 s ASP 20 N -3.02 4.72 0.20 -1.18 1.01 -1.26 -4.44 116.67 112.69 1ul7 s ASP 20 Ca 0.14 2.62 0.21 0.00 0.71 0.00 0.00 52.55 56.23 1ul7 s ASP 20 Cb 0.01 -2.62 0.89 0.00 1.01 0.00 0.00 42.92 42.21 1ul7 s ASP 20 CO 0.01 -1.92 1.65 -0.81 0.21 0.00 0.00 175.17 174.30 1ul7 n PRO 21 N -1.79 0.15 0.31 8.23 -0.04 -1.26 -3.39 135.00 137.21 1ul7 n PRO 21 Ca 0.15 0.39 -0.13 0.00 -0.04 0.00 0.00 63.50 63.86 1ul7 n PRO 21 Cb 0.48 -1.78 -0.07 0.00 -0.04 0.00 0.00 33.50 32.09 1ul7 n PRO 21 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1ul7 h SER 22 N 0.00 -0.70 -0.71 3.54 0.02 -2.00 -3.18 113.55 110.52 1ul7 h SER 22 Ca 0.00 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 1ul7 h SER 22 Cb 0.33 0.18 -0.04 0.00 0.14 0.00 0.00 62.40 63.01 1ul7 h SER 22 CO 0.00 -0.31 0.47 -0.78 -1.14 0.00 0.00 176.83 175.07 1ul7 h ASP 23 N -1.18 0.72 -0.72 3.07 1.82 -1.95 -1.08 116.42 117.09 1ul7 h ASP 23 Ca -0.08 -0.01 0.21 0.00 -0.39 0.00 0.00 57.03 56.76 1ul7 h ASP 23 Cb 0.65 -0.16 -0.03 0.00 0.68 0.00 0.00 39.33 40.47 1ul7 h ASP 23 CO 0.14 0.49 0.55 0.24 -1.61 0.00 0.00 179.24 179.05 1ul7 h MET 24 N 0.83 0.00 0.09 0.28 2.86 -1.56 0.28 114.93 117.71 1ul7 h MET 24 Ca 0.29 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.68 1ul7 h MET 24 Cb 0.11 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 1ul7 h MET 24 CO -0.09 0.00 -1.17 0.52 1.06 0.00 0.00 176.91 177.23 1ul7 h MET 25 N 0.00 0.20 -0.17 1.72 2.86 -1.18 -2.76 114.93 115.60 1ul7 h MET 25 Ca 0.34 -0.34 -0.10 0.00 -2.06 0.00 0.00 59.70 57.54 1ul7 h MET 25 Cb 1.44 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 33.21 1ul7 h MET 25 CO -0.00 1.16 -0.35 0.00 1.06 0.00 0.00 176.91 178.78 1ul7 h ARG 26 N 0.05 0.36 0.18 1.72 3.08 -0.44 -3.11 114.38 116.22 1ul7 h ARG 26 Ca -0.10 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.79 1ul7 h ARG 26 Cb 1.91 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.95 1ul7 h ARG 26 CO 0.18 0.66 -0.09 1.49 -1.07 0.00 0.00 179.97 181.15 1ul7 h GLU 27 N 0.30 -0.23 -0.44 0.04 4.57 -1.35 -3.10 114.58 114.38 1ul7 h GLU 27 Ca 0.04 0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.27 1ul7 h GLU 27 Cb 0.76 0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 29.35 1ul7 h GLU 27 CO 0.06 -0.15 -0.26 -0.89 -1.18 0.00 0.00 179.01 176.59 1ul7 n ILE 28 N -4.74 -0.30 -0.16 2.32 5.41 -1.04 0.21 119.36 121.07 1ul7 n ILE 28 Ca -0.03 1.63 0.22 0.00 1.00 0.00 0.00 62.75 65.57 1ul7 n ILE 28 Cb 0.09 -2.07 0.61 0.00 -0.71 0.00 0.00 39.64 37.57 1ul7 n ILE 28 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 1ul7 h ARG 29 N 0.00 0.19 0.01 0.38 3.08 -1.71 0.50 114.38 116.84 1ul7 h ARG 29 Ca 0.07 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1ul7 h ARG 29 Cb 0.18 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1ul7 h ARG 29 CO -0.41 0.12 -0.01 -0.22 -1.07 0.00 0.00 179.97 178.39 1ul7 h LYS 30 N 0.19 -0.02 -0.37 0.04 3.64 0.25 -2.17 116.57 118.13 1ul7 h LYS 30 Ca 0.39 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.69 1ul7 h LYS 30 Cb 1.24 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 1ul7 h LYS 30 CO -0.08 0.19 -0.10 0.28 -2.27 0.00 0.00 179.45 177.47 1ul7 h VAL 31 N -0.23 1.28 -0.69 2.00 2.07 0.31 -2.77 116.25 118.22 1ul7 h VAL 31 Ca -0.00 -1.19 0.12 0.00 0.82 0.00 0.00 66.70 66.45 1ul7 h VAL 31 Cb 0.22 1.28 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 1ul7 h VAL 31 CO 0.00 0.39 0.46 -0.07 0.02 0.00 0.00 177.57 178.38 1ul7 h LEU 32 N 0.52 0.42 -0.42 2.57 3.38 -0.93 -0.38 115.31 120.47 1ul7 h LEU 32 Ca 0.09 0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.91 1ul7 h LEU 32 Cb 0.62 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1ul7 h LEU 32 CO 0.04 0.24 -0.79 1.23 0.09 0.00 0.00 178.44 179.25 1ul7 h GLY 33 N 0.46 0.01 1.20 0.83 0.00 -1.19 -0.28 103.07 104.10 1ul7 h GLY 33 Ca 0.33 -0.01 -0.07 0.00 0.00 0.00 0.00 47.33 47.58 1ul7 h GLY 33 CO -0.10 0.01 0.11 0.00 0.00 0.00 0.00 176.54 176.56 1ul7 h ALA 34 N 1.20 1.04 -0.03 3.60 0.00 -0.80 -1.89 119.26 122.39 1ul7 h ALA 34 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1ul7 h ALA 34 Cb 1.40 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1ul7 h ALA 34 CO 0.10 0.62 0.00 0.09 0.00 0.00 0.00 179.25 180.06 1ul7 n ASN 35 N -4.23 0.61 -2.73 0.00 3.02 -1.04 -4.90 115.26 105.98 1ul7 n ASN 35 Ca 0.04 -1.31 -0.16 0.00 -0.03 0.00 0.00 54.58 53.12 1ul7 n ASN 35 Cb 0.27 -0.01 0.06 0.00 -0.61 0.00 0.00 39.78 39.48 1ul7 n ASN 35 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1ul7 n ASN 36 N -0.48 -4.25 -4.99 6.41 3.02 -0.71 -5.02 115.26 109.24 1ul7 n ASN 36 Ca 0.19 -0.40 -0.19 0.00 -0.03 0.00 0.00 54.58 54.15 1ul7 n ASN 36 Cb 0.19 -3.78 0.01 0.00 -0.61 0.00 0.00 39.78 35.59 1ul7 n ASN 36 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ul7 s ASP 38 N -4.27 5.06 -0.16 0.00 1.01 -0.10 -4.65 116.67 113.55 1ul7 s ASP 38 Ca 0.50 -0.65 0.02 0.00 0.71 0.00 0.00 52.55 53.13 1ul7 s ASP 38 Cb -0.10 -1.87 0.02 0.00 1.01 0.00 0.00 42.92 41.98 1ul7 s ASP 38 CO 0.34 -0.16 -0.20 -0.72 0.21 0.00 0.00 175.17 174.63 1ul7 s TYR 39 N 1.50 2.68 0.22 4.23 -0.85 -1.25 0.07 117.35 123.94 1ul7 s TYR 39 Ca 0.03 -1.49 0.10 0.00 -0.52 0.00 0.00 57.07 55.19 1ul7 s TYR 39 Cb -0.17 -1.85 -0.04 0.00 0.38 0.00 0.00 41.96 40.28 1ul7 s TYR 39 CO 0.02 -0.72 -0.12 -2.00 -1.52 0.00 0.00 175.55 171.21 1ul7 s GLU 40 N 1.11 1.94 -0.57 -3.49 2.12 -0.75 -4.88 118.70 114.19 1ul7 s GLU 40 Ca 0.00 -1.43 -0.28 0.00 0.36 0.00 0.00 54.97 53.62 1ul7 s GLU 40 Cb -0.14 -2.04 0.03 0.00 0.26 0.00 0.00 34.13 32.24 1ul7 s GLU 40 CO -0.08 0.40 1.24 -1.14 -0.54 0.00 0.00 175.26 175.14 1ul7 s GLN 41 N -3.08 3.48 0.00 4.30 0.74 -1.26 -0.00 119.66 123.84 1ul7 s GLN 41 Ca 0.26 0.33 0.00 0.00 0.05 0.00 0.00 55.36 56.00 1ul7 s GLN 41 Cb -0.08 -4.03 0.00 0.00 1.10 0.00 0.00 33.01 30.00 1ul7 s GLN 41 CO 0.15 -1.72 0.00 0.54 -0.55 0.00 0.00 175.29 173.71 1ul7 n ARG 42 N 8.46 0.00 -3.46 1.67 5.12 0.14 -4.92 116.66 123.67 1ul7 n ARG 42 Ca 0.10 0.23 -0.21 0.00 -1.93 0.00 0.00 57.85 56.03 1ul7 n ARG 42 Cb 0.49 -0.69 -0.01 0.00 -1.16 0.00 0.00 32.46 31.09 1ul7 n ARG 42 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1ul7 n GLU 43 N -2.00 0.94 -0.28 5.56 -0.58 0.07 -4.93 120.64 119.41 1ul7 n GLU 43 Ca 0.00 -2.63 0.09 0.00 -0.42 0.00 0.00 57.16 54.20 1ul7 n GLU 43 Cb 0.00 0.41 0.22 0.00 -0.57 0.00 0.00 31.44 31.50 1ul7 n GLU 43 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1ul7 h ARG 44 N 0.00 0.11 -0.27 3.49 2.43 -2.02 -2.60 114.38 115.53 1ul7 h ARG 44 Ca -0.28 -0.01 -0.23 0.00 -0.81 0.00 0.00 59.98 58.66 1ul7 h ARG 44 Cb 0.95 -0.03 -0.32 0.00 -0.42 0.00 0.00 29.97 30.15 1ul7 h ARG 44 CO 0.44 0.08 -0.92 1.19 -1.51 0.00 0.00 179.97 179.25 1ul7 n PHE 45 N -5.34 0.89 -4.52 2.20 3.72 -1.26 -5.05 117.46 108.10 1ul7 n PHE 45 Ca 0.17 -1.51 -0.24 0.00 -0.05 0.00 0.00 57.45 55.83 1ul7 n PHE 45 Cb 0.58 -0.23 -0.17 0.00 -0.94 0.00 0.00 39.48 38.73 1ul7 n PHE 45 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1ul7 s LEU 46 N -2.45 1.60 0.08 4.37 2.96 -0.98 -1.69 118.68 122.58 1ul7 s LEU 46 Ca 0.36 -0.27 0.10 0.00 -0.22 0.00 0.00 54.13 54.10 1ul7 s LEU 46 Cb 0.37 -0.76 -0.03 0.00 0.50 0.00 0.00 46.19 46.26 1ul7 s LEU 46 CO -0.07 0.02 -0.26 -0.76 -1.32 0.00 0.00 176.35 173.96 1ul7 s LEU 47 N 0.69 2.24 -0.49 -0.68 1.43 -1.07 0.26 118.68 121.06 1ul7 s LEU 47 Ca -0.14 -0.66 -0.19 0.00 -1.03 0.00 0.00 54.13 52.12 1ul7 s LEU 47 Cb -0.16 -1.22 0.05 0.00 0.03 0.00 0.00 46.19 44.89 1ul7 s LEU 47 CO 0.03 0.21 0.58 0.12 0.23 0.00 0.00 176.35 177.52 1ul7 s PHE 48 N -0.92 3.09 0.06 0.29 5.36 1.00 -1.31 117.98 125.53 1ul7 s PHE 48 Ca 0.12 -0.51 -0.22 0.00 -0.96 0.00 0.00 56.93 55.36 1ul7 s PHE 48 Cb -0.10 -3.40 -0.06 0.00 -0.34 0.00 0.00 43.02 39.12 1ul7 s PHE 48 CO 0.04 -0.95 0.65 0.00 -1.46 0.00 0.00 175.22 173.49 1ul7 s VAL 50 N -0.59 0.14 0.06 0.00 1.01 0.11 -0.42 120.40 120.70 1ul7 s VAL 50 Ca 0.33 0.11 -0.00 0.00 0.00 0.00 0.00 61.98 62.42 1ul7 s VAL 50 Cb -0.20 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 1ul7 s VAL 50 CO 0.20 0.14 -0.04 -2.28 0.00 0.00 0.00 175.10 173.12 1ul7 s HIS 51 N 1.09 0.57 -0.42 5.22 2.46 -0.42 -0.93 115.29 122.87 1ul7 s HIS 51 Ca -0.09 -0.93 0.05 0.00 0.47 0.00 0.00 55.06 54.56 1ul7 s HIS 51 Cb -0.13 -0.39 0.19 0.00 -0.13 0.00 0.00 32.58 32.11 1ul7 s HIS 51 CO -0.02 -0.29 0.42 0.41 -2.47 0.00 0.00 174.74 172.79 1ul7 n GLY 52 N 0.35 1.92 1.04 1.59 0.00 -1.26 -2.08 105.19 106.75 1ul7 n GLY 52 Ca -0.15 -1.13 0.03 0.00 0.00 0.00 0.00 46.02 44.77 1ul7 n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1ul7 n ASP 53 N 2.61 2.90 0.00 1.61 2.03 -1.26 -4.84 116.55 119.59 1ul7 n ASP 53 Ca 0.27 -2.35 0.00 0.00 0.52 0.00 0.00 54.79 53.23 1ul7 n ASP 53 Cb 0.50 -0.53 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 1ul7 n ASP 53 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ul7 n GLY 54 N 0.38 3.72 3.87 0.27 0.00 -1.26 -5.18 105.19 106.99 1ul7 n GLY 54 Ca 0.12 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 1ul7 n GLY 54 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ul7 s HIS 55 N 2.58 2.56 0.03 1.61 3.76 -1.26 -5.04 115.29 119.53 1ul7 s HIS 55 Ca 0.00 -0.54 -0.24 0.00 -0.15 0.00 0.00 55.06 54.13 1ul7 s HIS 55 Cb 0.00 -2.12 -0.16 0.00 1.11 0.00 0.00 32.58 31.40 1ul7 s HIS 55 CO 0.00 -0.14 1.45 0.00 -0.85 0.00 0.00 174.74 175.20 1ul7 h ALA 56 N 1.03 0.07 0.00 -1.40 0.00 -1.99 -2.60 119.26 114.37 1ul7 h ALA 56 Ca -0.41 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1ul7 h ALA 56 Cb 1.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1ul7 h ALA 56 CO 0.58 -0.25 0.28 1.05 0.00 0.00 0.00 179.25 180.91 1ul7 h GLU 57 N -0.20 0.00 -2.14 0.00 4.11 -2.06 -2.24 114.58 112.05 1ul7 h GLU 57 Ca 0.02 0.00 -0.54 0.00 0.07 0.00 0.00 59.36 58.90 1ul7 h GLU 57 Cb 0.34 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.18 1ul7 h GLU 57 CO 0.00 0.00 -0.87 0.27 0.07 0.00 0.00 179.01 178.48 1ul7 n ASN 58 N -2.85 3.02 -4.83 3.06 0.23 -0.99 -5.02 115.26 107.89 1ul7 n ASN 58 Ca -0.02 -3.41 -0.35 0.00 -0.53 0.00 0.00 54.58 50.27 1ul7 n ASN 58 Cb 0.33 -0.58 -0.06 0.00 -2.08 0.00 0.00 39.78 37.39 1ul7 n ASN 58 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 1ul7 s LEU 59 N -3.06 4.23 -0.21 -4.53 1.98 -0.84 -4.30 118.68 111.95 1ul7 s LEU 59 Ca 0.45 1.40 -0.09 0.00 -2.89 0.00 0.00 54.13 53.00 1ul7 s LEU 59 Cb 0.31 -3.81 -0.04 0.00 0.66 0.00 0.00 46.19 43.31 1ul7 s LEU 59 CO -0.12 -0.07 0.10 -0.69 -1.89 0.00 0.00 176.35 173.69 1ul7 s VAL 60 N -1.71 4.98 -0.10 1.68 1.01 -0.88 -3.38 120.40 121.99 1ul7 s VAL 60 Ca 0.48 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.47 1ul7 s VAL 60 Cb -0.14 -3.28 0.04 0.00 0.00 0.00 0.00 36.38 33.00 1ul7 s VAL 60 CO 0.20 0.41 0.04 -1.10 0.00 0.00 0.00 175.10 174.64 1ul7 s GLN 61 N 0.71 0.34 0.08 2.72 -0.21 -1.25 -1.30 119.66 120.75 1ul7 s GLN 61 Ca 0.05 0.06 -0.02 0.00 0.02 0.00 0.00 55.36 55.47 1ul7 s GLN 61 Cb -0.13 -1.19 -0.04 0.00 1.00 0.00 0.00 33.01 32.65 1ul7 s GLN 61 CO 0.02 -0.43 0.02 1.67 -2.12 0.00 0.00 175.29 174.44 1ul7 s TRP 62 N 2.03 0.60 0.42 0.91 -2.14 0.43 -2.33 118.94 118.87 1ul7 s TRP 62 Ca 0.03 -1.08 0.07 0.00 2.66 0.00 0.00 56.10 57.78 1ul7 s TRP 62 Cb -0.14 -0.39 -0.06 0.00 -3.10 0.00 0.00 33.47 29.78 1ul7 s TRP 62 CO -0.06 -0.44 0.12 -1.21 -2.66 0.00 0.00 176.95 172.70 1ul7 s GLU 63 N -3.96 2.14 -0.20 3.25 2.02 -0.42 0.21 118.70 121.73 1ul7 s GLU 63 Ca 0.12 -1.95 -0.04 0.00 0.02 0.00 0.00 54.97 53.13 1ul7 s GLU 63 Cb 0.08 -1.86 0.09 0.00 0.10 0.00 0.00 34.13 32.53 1ul7 s GLU 63 CO -0.06 -0.11 0.19 -1.64 0.02 0.00 0.00 175.26 173.66 1ul7 s MET 64 N -3.84 0.16 -0.10 1.61 -1.94 -0.43 -2.59 119.30 112.17 1ul7 s MET 64 Ca 0.38 0.09 -0.06 0.00 -1.71 0.00 0.00 55.69 54.40 1ul7 s MET 64 Cb 0.06 -1.34 -0.04 0.00 2.01 0.00 0.00 34.83 35.52 1ul7 s MET 64 CO 0.21 -0.69 0.12 -2.00 -0.01 0.00 0.00 175.02 172.65 1ul7 s GLU 65 N 2.27 3.36 -0.17 2.03 2.12 -1.19 -2.61 118.70 124.51 1ul7 s GLU 65 Ca 0.06 -0.20 -0.00 0.00 0.36 0.00 0.00 54.97 55.18 1ul7 s GLU 65 Cb -0.16 -3.11 -0.00 0.00 0.26 0.00 0.00 34.13 31.12 1ul7 s GLU 65 CO -0.13 0.75 -0.14 0.08 -0.54 0.00 0.00 175.26 175.28 1ul7 s VAL 66 N -1.05 2.73 -0.08 3.70 1.01 -0.68 -1.79 120.40 124.24 1ul7 s VAL 66 Ca 0.16 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 1ul7 s VAL 66 Cb -0.12 -2.17 0.12 0.00 0.00 0.00 0.00 36.38 34.21 1ul7 s VAL 66 CO 0.06 0.50 0.98 0.00 0.00 0.00 0.00 175.10 176.64 1ul7 s LYS 68 N -2.48 2.68 0.23 0.00 1.02 -1.26 -3.78 119.74 116.15 1ul7 s LYS 68 Ca 0.04 1.51 -0.17 0.00 0.02 0.00 0.00 55.97 57.37 1ul7 s LYS 68 Cb -0.01 -4.43 -0.12 0.00 -0.52 0.00 0.00 37.83 32.75 1ul7 s LYS 68 CO -0.06 -2.62 0.19 1.28 -0.92 0.00 0.00 175.35 173.22 1ul7 n LEU 69 N 13.33 -1.60 -0.11 3.17 4.77 0.66 -4.86 117.00 132.36 1ul7 n LEU 69 Ca 0.30 0.68 -0.13 0.00 -0.03 0.00 0.00 56.01 56.83 1ul7 n LEU 69 Cb 0.50 -0.66 -0.03 0.00 -2.33 0.00 0.00 43.42 40.90 1ul7 n LEU 69 CO 0.69 -2.68 0.56 1.55 -1.33 0.00 0.00 177.39 176.18 1ul7 h PRO 70 N 0.43 0.84 0.01 3.23 0.13 -1.90 -3.32 132.00 131.41 1ul7 h PRO 70 Ca -0.24 -0.45 -0.02 0.00 -0.87 0.00 0.00 66.00 64.43 1ul7 h PRO 70 Cb 1.04 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1ul7 h PRO 70 CO 0.37 1.08 -0.07 0.00 -0.23 0.00 0.00 178.00 179.15 1ul7 h ARG 71 N 0.63 0.04 -5.98 0.86 2.47 -1.98 -3.46 114.38 106.95 1ul7 h ARG 71 Ca 0.05 -0.05 -0.64 0.00 -1.26 0.00 0.00 59.98 58.09 1ul7 h ARG 71 Cb 0.93 0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 29.20 1ul7 h ARG 71 CO 0.09 0.93 -0.54 -0.51 0.56 0.00 0.00 179.97 180.49 1ul7 s LEU 72 N -8.39 4.11 -0.16 3.04 1.02 -1.25 -4.99 118.68 112.06 1ul7 s LEU 72 Ca -0.18 0.18 -0.00 0.00 0.02 0.00 0.00 54.13 54.15 1ul7 s LEU 72 Cb -0.02 -2.61 0.13 0.00 0.02 0.00 0.00 46.19 43.72 1ul7 s LEU 72 CO 0.70 0.21 1.82 -0.24 0.02 0.00 0.00 176.35 178.87 1ul7 n SER 73 N 0.67 5.30 -4.65 2.29 2.88 -1.26 -3.49 113.62 115.36 1ul7 n SER 73 Ca -0.09 -2.69 -0.26 0.00 -1.33 0.00 0.00 58.87 54.51 1ul7 n SER 73 Cb 0.52 -0.97 -0.09 0.00 -0.75 0.00 0.00 64.21 62.92 1ul7 n SER 73 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1ul7 s LEU 74 N -0.97 2.95 -0.69 2.46 1.43 -1.26 -4.94 118.68 117.67 1ul7 s LEU 74 Ca 0.16 -1.17 -0.10 0.00 -1.03 0.00 0.00 54.13 51.99 1ul7 s LEU 74 Cb 0.13 -1.18 0.18 0.00 0.03 0.00 0.00 46.19 45.35 1ul7 s LEU 74 CO 0.00 -0.39 0.58 0.20 0.23 0.00 0.00 176.35 176.98 1ul7 s ASN 75 N -3.75 6.10 0.09 2.29 -0.87 -1.18 -0.25 114.94 117.37 1ul7 s ASN 75 Ca 0.36 -2.53 0.00 0.00 -1.57 0.00 0.00 52.86 49.12 1ul7 s ASN 75 Cb 0.05 -2.08 0.00 0.00 -0.02 0.00 0.00 41.25 39.20 1ul7 s ASN 75 CO 0.19 -0.56 0.00 0.61 -2.57 0.00 0.00 177.10 174.77 1ul7 n GLY 76 N 4.10 1.17 3.18 0.66 0.00 -1.25 -3.47 105.19 109.58 1ul7 n GLY 76 Ca 0.06 -1.96 -0.28 0.00 0.00 0.00 0.00 46.02 43.84 1ul7 n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ul7 s VAL 77 N 1.12 1.64 0.01 1.61 1.01 -1.26 -4.22 120.40 120.31 1ul7 s VAL 77 Ca 0.00 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.14 1ul7 s VAL 77 Cb 0.00 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 1ul7 s VAL 77 CO 0.00 0.47 0.10 -0.60 0.00 0.00 0.00 175.10 175.07 1ul7 s ARG 78 N -0.06 3.12 -0.30 2.72 3.52 -0.74 -4.91 118.95 122.30 1ul7 s ARG 78 Ca -0.03 -0.48 -0.00 0.00 -0.13 0.00 0.00 55.73 55.09 1ul7 s ARG 78 Cb -0.12 -2.89 0.09 0.00 -1.56 0.00 0.00 34.95 30.48 1ul7 s ARG 78 CO 0.02 0.64 0.08 -0.06 -0.81 0.00 0.00 175.30 175.17 1ul7 s PHE 79 N -1.25 1.99 -0.20 5.12 0.40 -1.26 -3.16 117.98 119.62 1ul7 s PHE 79 Ca 0.25 -1.85 -0.09 0.00 -0.60 0.00 0.00 56.93 54.64 1ul7 s PHE 79 Cb -0.12 -1.83 -0.04 0.00 0.51 0.00 0.00 43.02 41.54 1ul7 s PHE 79 CO 0.16 -0.86 0.10 0.21 0.70 0.00 0.00 175.22 175.52 1ul7 s LYS 80 N 1.52 4.04 0.21 0.44 2.20 -1.07 -4.97 119.74 122.10 1ul7 s LYS 80 Ca 0.08 -0.30 -0.14 0.00 -0.36 0.00 0.00 55.97 55.25 1ul7 s LYS 80 Cb -0.18 -3.32 -0.07 0.00 -1.51 0.00 0.00 37.83 32.75 1ul7 s LYS 80 CO -0.21 0.23 0.60 0.50 -0.36 0.00 0.00 175.35 176.11 1ul7 s ARG 81 N 0.52 3.96 0.14 4.03 3.52 -1.26 -1.31 118.95 128.55 1ul7 s ARG 81 Ca 0.05 0.50 0.00 0.00 -0.13 0.00 0.00 55.73 56.15 1ul7 s ARG 81 Cb -0.12 -2.76 0.00 0.00 -1.56 0.00 0.00 34.95 30.50 1ul7 s ARG 81 CO 0.00 0.37 0.00 -0.89 -0.81 0.00 0.00 175.30 173.97 1ul7 n ILE 82 N 0.34 0.76 -4.58 4.11 2.08 -0.98 -4.96 119.36 116.13 1ul7 n ILE 82 Ca -0.02 0.25 -0.27 0.00 0.56 0.00 0.00 62.75 63.27 1ul7 n ILE 82 Cb 0.52 -1.26 -0.08 0.00 -0.75 0.00 0.00 39.64 38.07 1ul7 n ILE 82 CO 0.00 0.00 0.00 -0.44 0.56 0.00 0.00 176.55 176.67 1ul7 s SER 83 N -5.61 3.14 0.12 4.38 0.01 -1.13 -5.04 113.70 109.56 1ul7 s SER 83 Ca 0.00 -1.67 0.00 0.00 1.31 0.00 0.00 55.95 55.59 1ul7 s SER 83 Cb 0.00 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.73 1ul7 s SER 83 CO 0.00 -0.91 0.00 0.61 0.41 0.00 0.00 173.24 173.35 1ul7 n GLY 84 N -1.00 -3.07 3.64 3.44 0.00 -1.22 -3.91 105.19 103.07 1ul7 n GLY 84 Ca -0.09 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.43 1ul7 n GLY 84 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ul7 s THR 85 N -4.10 2.33 0.06 2.61 -1.32 -1.26 -4.78 115.64 109.18 1ul7 s THR 85 Ca 0.00 0.11 -0.29 0.00 -1.21 0.00 0.00 61.69 60.30 1ul7 s THR 85 Cb 0.00 -2.32 -0.15 0.00 -1.51 0.00 0.00 72.50 68.52 1ul7 s THR 85 CO 0.00 -0.14 1.44 0.28 -2.21 0.00 0.00 174.62 173.99 1ul7 h SER 86 N -1.94 -1.02 -0.88 8.08 0.02 -1.99 -0.78 113.55 115.04 1ul7 h SER 86 Ca -0.51 0.06 0.19 0.00 -0.84 0.00 0.00 61.79 60.70 1ul7 h SER 86 Cb 1.29 0.30 -0.17 0.00 0.14 0.00 0.00 62.40 63.97 1ul7 h SER 86 CO 0.49 -0.59 -0.16 0.40 -1.14 0.00 0.00 176.83 175.83 1ul7 h ILE 87 N -0.93 0.13 -0.20 3.27 2.04 -1.98 1.15 117.51 120.98 1ul7 h ILE 87 Ca -0.08 -0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.74 1ul7 h ILE 87 Cb 0.76 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1ul7 h ILE 87 CO 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 178.15 178.19 1ul7 h ALA 88 N 1.88 1.59 -0.14 1.87 0.00 -1.87 0.63 119.26 123.21 1ul7 h ALA 88 Ca 0.45 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 1ul7 h ALA 88 Cb 0.74 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1ul7 h ALA 88 CO -0.88 0.30 -0.31 0.35 0.00 0.00 0.00 179.25 178.71 1ul7 h PHE 89 N 0.30 0.59 0.00 0.00 3.57 0.27 -3.08 116.94 118.59 1ul7 h PHE 89 Ca 0.07 -0.22 0.00 0.00 3.53 0.00 0.00 57.97 61.35 1ul7 h PHE 89 Cb 0.24 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1ul7 h PHE 89 CO 0.00 0.93 0.00 0.87 -2.23 0.00 0.00 178.31 177.89 1ul7 h LYS 90 N 0.08 0.00 -0.18 1.11 6.56 -0.43 -2.74 116.57 120.96 1ul7 h LYS 90 Ca 0.00 0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 59.46 1ul7 h LYS 90 Cb 0.91 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.56 1ul7 h LYS 90 CO 0.07 0.00 -0.46 -0.91 -2.06 0.00 0.00 179.45 176.09 1ul7 h ASN 91 N 0.00 0.50 0.83 0.86 2.35 -0.79 -3.11 115.58 116.22 1ul7 h ASN 91 Ca 0.00 -0.24 -0.20 0.00 -0.55 0.00 0.00 56.30 55.31 1ul7 h ASN 91 Cb 0.66 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.86 1ul7 h ASN 91 CO 0.00 0.89 -1.27 -0.29 -1.65 0.00 0.00 177.43 175.11 1ul7 h ILE 92 N 0.37 0.88 -0.50 2.81 6.09 -1.49 -3.33 117.51 122.34 1ul7 h ILE 92 Ca 0.02 -2.49 0.04 0.00 -1.37 0.00 0.00 64.86 61.06 1ul7 h ILE 92 Cb 0.95 2.35 -0.03 0.00 0.47 0.00 0.00 36.82 40.57 1ul7 h ILE 92 CO 0.08 0.50 0.33 0.00 -3.07 0.00 0.00 178.15 175.99 1ul7 h ALA 93 N 1.24 1.80 -0.69 0.18 0.00 -1.42 -1.83 119.26 118.54 1ul7 h ALA 93 Ca -0.14 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1ul7 h ALA 93 Cb 1.71 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 1ul7 h ALA 93 CO 0.07 0.13 0.16 1.03 0.00 0.00 0.00 179.25 180.64 1ul7 h SER 94 N 0.53 1.05 -0.92 0.00 0.87 -1.66 0.13 113.55 113.55 1ul7 h SER 94 Ca 0.20 -0.24 0.04 0.00 -1.23 0.00 0.00 61.79 60.57 1ul7 h SER 94 Cb 0.15 -0.28 -0.06 0.00 -0.44 0.00 0.00 62.40 61.78 1ul7 h SER 94 CO -0.05 1.02 0.59 0.11 -0.53 0.00 0.00 176.83 177.97 1ul7 h LYS 95 N 1.04 1.10 0.02 2.24 6.56 -1.50 -1.76 116.57 124.26 1ul7 h LYS 95 Ca 0.21 -0.07 -0.00 0.00 -1.06 0.00 0.00 60.65 59.74 1ul7 h LYS 95 Cb 0.38 -0.25 0.00 0.00 -0.57 0.00 0.00 32.23 31.79 1ul7 h LYS 95 CO 0.00 0.73 -0.01 0.82 -2.06 0.00 0.00 179.45 178.93 1ul7 h ILE 96 N 1.13 0.00 -0.86 1.86 1.08 -1.37 -2.73 117.51 116.63 1ul7 h ILE 96 Ca 0.37 -0.53 0.33 0.00 -0.39 0.00 0.00 64.86 64.64 1ul7 h ILE 96 Cb 0.04 0.00 -0.16 0.00 -3.07 0.00 0.00 36.82 33.63 1ul7 h ILE 96 CO -0.13 0.00 0.35 0.00 -0.69 0.00 0.00 178.15 177.68 1ul7 n ALA 97 N -2.42 0.77 -0.26 1.87 0.00 0.41 -0.14 120.51 120.74 1ul7 n ALA 97 Ca -0.00 0.89 0.00 0.00 0.00 0.00 0.00 53.44 54.33 1ul7 n ALA 97 Cb 0.01 -0.82 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1ul7 n ALA 97 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ul7 n ASN 98 N -5.02 0.00 -0.44 0.00 4.13 -0.66 -3.67 115.26 109.59 1ul7 n ASN 98 Ca 0.29 0.55 0.37 0.00 1.68 0.00 0.00 54.58 57.48 1ul7 n ASN 98 Cb 0.99 -0.37 0.63 0.00 -1.54 0.00 0.00 39.78 39.49 1ul7 n ASN 98 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 1ul7 n GLU 99 N -1.60 -0.03 -1.37 3.52 -0.58 -0.74 -4.40 120.64 115.44 1ul7 n GLU 99 Ca 0.00 1.15 -0.55 0.00 -0.42 0.00 0.00 57.16 57.33 1ul7 n GLU 99 Cb 0.00 -2.27 -0.09 0.00 -0.57 0.00 0.00 31.44 28.51 1ul7 n GLU 99 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1ul7 n LEU 100 N -4.52 1.50 -1.96 -4.62 4.77 0.80 -4.79 117.00 108.17 1ul7 n LEU 100 Ca 0.37 0.57 -0.11 0.00 -0.03 0.00 0.00 56.01 56.81 1ul7 n LEU 100 Cb 1.45 -1.09 0.23 0.00 -2.33 0.00 0.00 43.42 41.69 1ul7 n LEU 100 CO 0.17 -0.74 1.06 0.29 -1.33 0.00 0.00 177.39 176.84 1ul7 n LYS 101 N 7.72 2.96 0.00 3.23 4.76 -1.26 -5.01 118.16 130.56 1ul7 n LYS 101 Ca 0.47 -2.71 0.04 0.00 -2.87 0.00 0.00 58.31 53.24 1ul7 n LYS 101 Cb 0.10 -2.10 0.26 0.00 -1.84 0.00 0.00 35.03 31.45 1ul7 n LYS 101 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31