#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ab7 s LYS 2 N 0.00 1.89 -0.05 1.97 0.00 -1.26 -0.79 119.74 121.50 1ab7 s LYS 2 Ca 0.00 -1.08 -0.08 0.00 0.00 0.00 0.00 55.97 54.81 1ab7 s LYS 2 Cb 0.00 -2.65 -0.05 0.00 0.00 0.00 0.00 37.83 35.13 1ab7 s LYS 2 CO 0.00 -0.56 0.24 0.00 0.00 0.00 0.00 175.35 175.03 1ab7 s ALA 3 N 1.30 3.83 -0.07 0.59 0.00 0.14 -4.87 121.76 122.69 1ab7 s ALA 3 Ca -0.06 -0.53 -0.00 0.00 0.00 0.00 0.00 51.96 51.37 1ab7 s ALA 3 Cb -0.19 -2.09 0.02 0.00 0.00 0.00 0.00 23.12 20.87 1ab7 s ALA 3 CO -0.06 0.60 -0.03 0.08 0.00 0.00 0.00 175.76 176.35 1ab7 s VAL 4 N -1.14 0.54 0.20 0.00 1.01 -1.26 -0.29 120.40 119.46 1ab7 s VAL 4 Ca 0.22 -0.04 -0.04 0.00 0.00 0.00 0.00 61.98 62.12 1ab7 s VAL 4 Cb -0.13 -0.62 -0.05 0.00 0.00 0.00 0.00 36.38 35.57 1ab7 s VAL 4 CO 0.11 0.26 0.43 -0.63 0.00 0.00 0.00 175.10 175.27 1ab7 s ILE 5 N 1.51 5.13 -0.11 2.22 -1.09 -0.43 -4.91 121.20 123.51 1ab7 s ILE 5 Ca -0.02 -0.04 -0.01 0.00 -2.23 0.00 0.00 60.65 58.36 1ab7 s ILE 5 Cb -0.13 -3.68 0.03 0.00 -1.58 0.00 0.00 42.46 37.10 1ab7 s ILE 5 CO -0.03 -0.11 -0.06 0.20 -1.23 0.00 0.00 174.94 173.71 1ab7 s ASN 6 N -2.78 2.17 0.16 3.58 -0.87 -1.26 -1.07 114.94 114.87 1ab7 s ASN 6 Ca 0.41 -0.32 0.25 0.00 -1.57 0.00 0.00 52.86 51.64 1ab7 s ASN 6 Cb -0.11 -0.77 0.63 0.00 -0.02 0.00 0.00 41.25 40.98 1ab7 s ASN 6 CO 0.27 -0.15 1.59 0.61 -2.57 0.00 0.00 177.10 176.85 1ab7 n GLY 7 N 4.98 -1.57 0.00 0.66 0.00 -1.26 -1.07 105.19 106.93 1ab7 n GLY 7 Ca -0.11 -0.13 0.07 0.00 0.00 0.00 0.00 46.02 45.85 1ab7 n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1ab7 n GLU 8 N -2.15 1.71 -0.03 1.61 4.07 -1.26 -4.45 120.64 120.15 1ab7 n GLU 8 Ca 0.05 -0.04 0.03 0.00 -0.06 0.00 0.00 57.16 57.13 1ab7 n GLU 8 Cb 0.43 -1.23 -0.11 0.00 -0.06 0.00 0.00 31.44 30.47 1ab7 n GLU 8 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 1ab7 n GLN 9 N -1.54 0.91 -2.60 5.31 7.27 -1.23 -4.83 117.38 120.66 1ab7 n GLN 9 Ca 0.01 -0.09 -0.41 0.00 0.07 0.00 0.00 57.00 56.58 1ab7 n GLN 9 Cb 0.27 -1.33 -0.03 0.00 2.41 0.00 0.00 30.24 31.56 1ab7 n GLN 9 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1ab7 s ILE 10 N -2.75 3.84 0.13 1.69 -1.09 -0.23 -4.85 121.20 117.93 1ab7 s ILE 10 Ca -0.06 0.34 -0.16 0.00 -2.23 0.00 0.00 60.65 58.54 1ab7 s ILE 10 Cb 0.07 -4.86 -0.01 0.00 -1.58 0.00 0.00 42.46 36.07 1ab7 s ILE 10 CO 0.56 -1.75 1.69 0.03 -1.23 0.00 0.00 174.94 174.24 1ab7 h ARG 11 N 9.91 0.55 -3.99 2.79 3.08 -1.88 -3.46 114.38 121.38 1ab7 h ARG 11 Ca -0.28 -0.09 -0.14 0.00 0.07 0.00 0.00 59.98 59.54 1ab7 h ARG 11 Cb 1.05 -0.09 -0.11 0.00 0.08 0.00 0.00 29.97 30.90 1ab7 h ARG 11 CO 1.26 0.52 -0.28 -1.54 -1.07 0.00 0.00 179.97 178.86 1ab7 s SER 12 N -5.79 0.12 0.65 7.04 1.04 -1.26 -4.99 113.70 110.51 1ab7 s SER 12 Ca -0.13 -1.14 0.26 0.00 0.48 0.00 0.00 55.95 55.42 1ab7 s SER 12 Cb 0.10 0.54 1.41 0.00 0.10 0.00 0.00 66.02 68.17 1ab7 s SER 12 CO 0.74 -1.07 1.81 -0.29 0.98 0.00 0.00 173.24 175.40 1ab7 h ILE 13 N 2.34 0.08 -0.23 -1.02 6.09 -1.89 0.91 117.51 123.79 1ab7 h ILE 13 Ca -0.29 0.00 0.02 0.00 -1.37 0.00 0.00 64.86 63.22 1ab7 h ILE 13 Cb 1.25 0.57 -0.02 0.00 0.47 0.00 0.00 36.82 39.09 1ab7 h ILE 13 CO 0.41 0.00 0.10 0.28 -3.07 0.00 0.00 178.15 175.87 1ab7 h SER 14 N 0.00 0.14 0.61 2.19 0.02 -1.97 0.13 113.55 114.67 1ab7 h SER 14 Ca 0.06 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1ab7 h SER 14 Cb 0.97 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.49 1ab7 h SER 14 CO -0.00 0.11 -0.11 0.44 -1.14 0.00 0.00 176.83 176.13 1ab7 h ASP 15 N 0.22 0.00 0.27 3.07 3.32 -1.20 -2.82 116.42 119.28 1ab7 h ASP 15 Ca 0.10 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1ab7 h ASP 15 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1ab7 h ASP 15 CO -0.08 0.11 -0.13 0.25 -1.72 0.00 0.00 179.24 177.67 1ab7 h LEU 16 N 0.00 -0.30 -1.99 1.55 5.85 -0.88 0.05 115.31 119.58 1ab7 h LEU 16 Ca -0.00 -0.19 0.14 0.00 0.84 0.00 0.00 57.88 58.68 1ab7 h LEU 16 Cb 0.44 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1ab7 h LEU 16 CO 0.01 0.04 0.36 0.45 -0.34 0.00 0.00 178.44 178.97 1ab7 h HIS 17 N -0.68 0.01 0.00 1.25 3.86 -1.02 0.21 115.15 118.77 1ab7 h HIS 17 Ca -0.04 0.00 -0.19 0.00 -1.16 0.00 0.00 60.37 58.98 1ab7 h HIS 17 Cb 0.47 -0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.91 1ab7 h HIS 17 CO 0.02 0.00 -0.92 1.96 0.86 0.00 0.00 177.93 179.86 1ab7 h GLN 18 N 0.01 0.00 -0.15 2.45 4.20 -1.31 -0.18 115.11 120.13 1ab7 h GLN 18 Ca 0.24 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.75 1ab7 h GLN 18 Cb 0.95 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.73 1ab7 h GLN 18 CO -0.00 0.89 -0.70 1.15 -0.67 0.00 0.00 178.83 179.50 1ab7 h THR 19 N 0.00 1.32 0.16 -0.54 2.02 0.14 0.33 112.91 116.34 1ab7 h THR 19 Ca -0.01 -1.98 -0.29 0.00 0.77 0.00 0.00 66.41 64.90 1ab7 h THR 19 Cb 1.70 1.95 0.01 0.00 -1.74 0.00 0.00 68.15 70.07 1ab7 h THR 19 CO 0.12 0.61 -1.34 -0.07 0.37 0.00 0.00 175.52 175.22 1ab7 h LEU 20 N 0.44 0.52 -1.25 2.58 3.38 -1.29 -1.50 115.31 118.19 1ab7 h LEU 20 Ca -0.03 -0.57 -0.03 0.00 0.09 0.00 0.00 57.88 57.34 1ab7 h LEU 20 Cb 1.29 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1ab7 h LEU 20 CO 0.13 1.45 -0.16 0.11 0.09 0.00 0.00 178.44 180.06 1ab7 h LYS 21 N 0.09 0.00 0.08 1.13 1.57 -0.97 0.12 116.57 118.59 1ab7 h LYS 21 Ca -0.18 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.41 1ab7 h LYS 21 Cb 2.02 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 34.33 1ab7 h LYS 21 CO 0.22 0.16 -0.98 -0.22 -0.57 0.00 0.00 179.45 178.06 1ab7 h LYS 22 N 0.00 0.17 0.06 3.15 3.64 -0.23 -0.13 116.57 123.22 1ab7 h LYS 22 Ca -0.00 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1ab7 h LYS 22 Cb 0.66 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1ab7 h LYS 22 CO 0.02 1.14 -0.03 0.93 -2.27 0.00 0.00 179.45 179.24 1ab7 h GLU 23 N -0.57 -0.07 0.00 1.90 4.39 -1.24 -3.18 114.58 115.80 1ab7 h GLU 23 Ca -0.22 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.48 1ab7 h GLU 23 Cb 1.51 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 30.17 1ab7 h GLU 23 CO 0.02 0.53 -0.04 -0.07 -1.16 0.00 0.00 179.01 178.29 1ab7 h LEU 24 N -0.87 0.00 -2.04 1.33 3.38 -0.95 -3.45 115.31 112.70 1ab7 h LEU 24 Ca -0.01 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 1ab7 h LEU 24 Cb 0.64 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.48 1ab7 h LEU 24 CO 0.01 0.04 -0.43 0.00 0.09 0.00 0.00 178.44 178.15 1ab7 n ALA 25 N -2.13 -1.22 -2.18 1.53 0.00 -0.70 -4.72 120.51 111.09 1ab7 n ALA 25 Ca -0.00 -0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.16 1ab7 n ALA 25 Cb 0.27 -2.01 0.02 0.00 0.00 0.00 0.00 19.45 17.72 1ab7 n ALA 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ab7 s LEU 26 N -4.35 3.44 0.00 0.00 1.43 -0.14 -4.99 118.68 114.07 1ab7 s LEU 26 Ca 0.06 0.79 0.00 0.00 -1.03 0.00 0.00 54.13 53.95 1ab7 s LEU 26 Cb -0.01 -3.68 0.00 0.00 0.03 0.00 0.00 46.19 42.53 1ab7 s LEU 26 CO 0.40 -0.82 0.00 -0.81 0.23 0.00 0.00 176.35 175.35 1ab7 n PRO 27 N -2.41 0.41 -0.07 1.29 -0.04 -1.26 -4.86 135.00 128.06 1ab7 n PRO 27 Ca 0.03 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.35 1ab7 n PRO 27 Cb 0.56 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.90 1ab7 n PRO 27 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1ab7 h GLU 28 N 0.00 0.00 0.00 0.54 4.57 -2.00 -3.29 114.58 114.40 1ab7 h GLU 28 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1ab7 h GLU 28 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1ab7 h GLU 28 CO 0.00 0.93 0.00 2.48 -1.18 0.00 0.00 179.01 181.24 1ab7 n TYR 29 N -4.61 0.63 -1.23 0.92 0.18 -1.26 -4.75 117.16 107.04 1ab7 n TYR 29 Ca -0.11 0.33 -0.37 0.00 1.88 0.00 0.00 57.90 59.63 1ab7 n TYR 29 Cb 0.47 -1.03 0.04 0.00 -0.38 0.00 0.00 39.34 38.44 1ab7 n TYR 29 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 1ab7 n TYR 30 N -2.15 -2.34 -4.51 -3.48 9.36 -1.24 -4.97 117.16 107.83 1ab7 n TYR 30 Ca -0.01 0.33 -0.25 0.00 3.32 0.00 0.00 57.90 61.29 1ab7 n TYR 30 Cb 0.03 -1.75 -0.13 0.00 -0.63 0.00 0.00 39.34 36.85 1ab7 n TYR 30 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1ab7 s GLY 31 N -1.19 1.21 -0.25 2.98 0.00 -1.26 -5.02 107.32 103.79 1ab7 s GLY 31 Ca 0.58 -1.17 0.01 0.00 0.00 0.00 0.00 44.72 44.14 1ab7 s GLY 31 CO 0.65 -1.12 1.70 -2.21 0.00 0.00 0.00 173.10 172.12 1ab7 n GLU 32 N 1.50 1.66 -2.55 2.90 4.07 -1.26 -3.14 120.64 123.82 1ab7 n GLU 32 Ca -0.18 -1.43 -0.11 0.00 -0.06 0.00 0.00 57.16 55.37 1ab7 n GLU 32 Cb 0.53 -1.56 -0.00 0.00 -0.06 0.00 0.00 31.44 30.35 1ab7 n GLU 32 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 1ab7 n ASN 33 N 0.05 1.82 0.07 4.31 6.94 -1.26 -4.48 115.26 122.71 1ab7 n ASN 33 Ca 0.28 -1.82 0.13 0.00 -0.02 0.00 0.00 54.58 53.15 1ab7 n ASN 33 Cb 0.82 -0.00 0.48 0.00 -2.36 0.00 0.00 39.78 38.72 1ab7 n ASN 33 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1ab7 n LEU 34 N 0.00 0.52 -0.06 -4.53 4.77 -1.26 -2.49 117.00 113.95 1ab7 n LEU 34 Ca -0.02 0.54 -0.02 0.00 -0.03 0.00 0.00 56.01 56.49 1ab7 n LEU 34 Cb 0.27 -0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 40.97 1ab7 n LEU 34 CO 0.16 -0.11 -0.08 -2.24 -1.33 0.00 0.00 177.39 173.78 1ab7 h ASP 35 N 0.00 0.00 -0.20 -1.43 2.03 -1.95 -3.02 116.42 111.85 1ab7 h ASP 35 Ca 0.00 -0.03 -0.09 0.00 -0.73 0.00 0.00 57.03 56.18 1ab7 h ASP 35 Cb 0.65 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.15 1ab7 h ASP 35 CO 0.00 0.59 -0.21 0.00 -1.03 0.00 0.00 179.24 178.59 1ab7 h ALA 36 N -0.97 0.30 0.58 4.15 0.00 -1.79 0.23 119.26 121.75 1ab7 h ALA 36 Ca -0.00 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.52 1ab7 h ALA 36 Cb 0.17 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1ab7 h ALA 36 CO -0.00 0.24 -0.28 1.25 0.00 0.00 0.00 179.25 180.46 1ab7 h LEU 37 N 0.17 -0.66 -0.92 0.00 5.85 -1.43 0.16 115.31 118.48 1ab7 h LEU 37 Ca 0.03 -0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.84 1ab7 h LEU 37 Cb 0.76 0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.88 1ab7 h LEU 37 CO 0.05 -0.39 0.55 -0.25 -0.34 0.00 0.00 178.44 178.06 1ab7 h TRP 38 N -0.90 0.99 -0.38 1.25 -0.00 -1.59 0.61 115.95 115.93 1ab7 h TRP 38 Ca -0.08 0.03 0.03 0.00 -0.00 0.00 0.00 58.89 58.88 1ab7 h TRP 38 Cb 0.64 -0.31 -0.02 0.00 -0.00 0.00 0.00 29.16 29.47 1ab7 h TRP 38 CO -0.01 0.38 0.25 -0.44 -0.00 0.00 0.00 178.44 178.62 1ab7 h ASP 39 N 0.88 0.33 0.00 2.65 5.19 -0.41 -2.00 116.42 123.05 1ab7 h ASP 39 Ca 0.45 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.86 1ab7 h ASP 39 Cb 0.46 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.89 1ab7 h ASP 39 CO -0.27 0.22 -0.01 0.00 -3.12 0.00 0.00 179.24 176.07 1ab7 h ALA 40 N 1.79 0.00 -0.50 3.45 0.00 0.30 -3.25 119.26 121.04 1ab7 h ALA 40 Ca 0.16 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1ab7 h ALA 40 Cb 0.15 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 1ab7 h ALA 40 CO -0.04 0.01 -0.29 1.28 0.00 0.00 0.00 179.25 180.21 1ab7 n LEU 41 N -2.35 -0.53 -2.56 0.00 4.77 0.64 0.26 117.00 117.23 1ab7 n LEU 41 Ca -0.00 1.21 -0.25 0.00 -0.03 0.00 0.00 56.01 56.93 1ab7 n LEU 41 Cb 0.01 -0.27 -0.09 0.00 -2.33 0.00 0.00 43.42 40.73 1ab7 n LEU 41 CO 0.00 -0.88 1.93 1.07 -1.33 0.00 0.00 177.39 178.18 1ab7 n THR 42 N -4.16 3.60 0.00 -5.08 5.66 -0.75 -3.53 114.28 110.02 1ab7 n THR 42 Ca 0.01 -2.62 0.00 0.00 -3.05 0.00 0.00 64.05 58.39 1ab7 n THR 42 Cb 0.13 -1.92 0.00 0.00 -1.55 0.00 0.00 70.33 66.99 1ab7 n THR 42 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ab7 n GLY 43 N 1.87 0.00 0.31 1.09 0.00 0.23 -4.86 105.19 103.84 1ab7 n GLY 43 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.54 1ab7 n GLY 43 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1ab7 n TRP 44 N 0.00 -0.39 -1.34 1.61 -0.00 0.73 -4.62 117.44 113.43 1ab7 n TRP 44 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.50 57.21 1ab7 n TRP 44 Cb 0.00 0.08 0.15 0.00 -0.00 0.00 0.00 31.31 31.54 1ab7 n TRP 44 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 1ab7 s VAL 45 N -1.51 2.14 -0.22 5.87 1.01 -0.84 -4.94 120.40 121.91 1ab7 s VAL 45 Ca 0.00 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.04 1ab7 s VAL 45 Cb 0.00 -2.65 0.04 0.00 0.00 0.00 0.00 36.38 33.77 1ab7 s VAL 45 CO 0.00 -0.06 -0.12 -1.61 0.00 0.00 0.00 175.10 173.31 1ab7 s GLU 46 N -5.10 2.22 0.42 2.72 0.41 -1.26 -4.95 118.70 113.16 1ab7 s GLU 46 Ca 0.64 -0.99 -0.01 0.00 -0.41 0.00 0.00 54.97 54.20 1ab7 s GLU 46 Cb -0.17 -2.58 -0.02 0.00 -1.78 0.00 0.00 34.13 29.57 1ab7 s GLU 46 CO 0.56 -0.44 0.65 0.71 -0.49 0.00 0.00 175.26 176.25 1ab7 s TYR 47 N 1.30 3.42 0.30 1.61 2.02 -1.26 -1.58 117.35 123.16 1ab7 s TYR 47 Ca -0.03 0.43 -0.29 0.00 -0.37 0.00 0.00 57.07 56.81 1ab7 s TYR 47 Cb -0.17 -2.14 -0.10 0.00 -0.40 0.00 0.00 41.96 39.15 1ab7 s TYR 47 CO -0.08 -0.15 1.22 -1.25 -1.57 0.00 0.00 175.55 173.73 1ab7 s PRO 48 N -4.51 4.47 0.29 -1.71 0.04 -1.26 -4.81 135.00 127.50 1ab7 s PRO 48 Ca 0.45 2.04 0.09 0.00 0.04 0.00 0.00 61.00 63.62 1ab7 s PRO 48 Cb -0.10 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.27 1ab7 s PRO 48 CO 0.39 -0.03 0.04 -1.17 0.04 0.00 0.00 177.00 176.26 1ab7 s LEU 49 N -1.53 3.22 -0.38 -3.56 2.96 -0.18 -2.20 118.68 117.02 1ab7 s LEU 49 Ca 0.48 -0.68 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 1ab7 s LEU 49 Cb -0.36 -1.73 0.11 0.00 0.50 0.00 0.00 46.19 44.71 1ab7 s LEU 49 CO 0.47 -0.08 0.12 -0.69 -1.32 0.00 0.00 176.35 174.86 1ab7 s VAL 50 N -2.35 1.89 -1.43 1.68 1.01 0.03 0.09 120.40 121.31 1ab7 s VAL 50 Ca 0.33 -2.33 -0.10 0.00 0.00 0.00 0.00 61.98 59.88 1ab7 s VAL 50 Cb -0.05 -2.37 0.05 0.00 0.00 0.00 0.00 36.38 34.01 1ab7 s VAL 50 CO 0.21 -0.69 2.37 -0.11 0.00 0.00 0.00 175.10 176.87 1ab7 n LEU 51 N 4.09 7.55 -4.57 3.92 7.94 0.11 0.23 117.00 136.26 1ab7 n LEU 51 Ca 0.03 -4.47 -0.21 0.00 -1.11 0.00 0.00 56.01 50.25 1ab7 n LEU 51 Cb 0.39 -1.53 -0.08 0.00 0.53 0.00 0.00 43.42 42.74 1ab7 n LEU 51 CO 0.22 1.62 1.30 -0.70 -1.11 0.00 0.00 177.39 178.71 1ab7 s GLU 52 N 1.39 1.96 -0.49 1.96 2.12 0.60 -1.59 118.70 124.65 1ab7 s GLU 52 Ca 0.52 -0.44 -0.28 0.00 0.36 0.00 0.00 54.97 55.13 1ab7 s GLU 52 Cb 0.15 -5.04 0.01 0.00 0.26 0.00 0.00 34.13 29.51 1ab7 s GLU 52 CO -0.06 -4.37 1.42 -0.46 -0.54 0.00 0.00 175.26 171.25 1ab7 s TRP 53 N 13.25 2.33 0.00 5.30 -0.11 -0.93 -1.31 118.94 137.46 1ab7 s TRP 53 Ca 0.77 0.58 0.00 0.00 1.22 0.00 0.00 56.10 58.67 1ab7 s TRP 53 Cb -0.06 -4.35 0.00 0.00 -1.50 0.00 0.00 33.47 27.57 1ab7 s TRP 53 CO 0.10 -1.97 0.00 0.54 -4.62 0.00 0.00 176.95 171.00 1ab7 n ARG 54 N 8.37 0.00 0.06 5.86 5.12 -0.23 -4.17 116.66 131.67 1ab7 n ARG 54 Ca 0.15 0.00 -0.04 0.00 -1.93 0.00 0.00 57.85 56.03 1ab7 n ARG 54 Cb 0.49 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.77 1ab7 n ARG 54 CO 0.00 0.00 0.00 1.96 -1.93 0.00 0.00 177.63 177.66 1ab7 h GLN 55 N 0.00 -0.24 0.00 5.56 7.50 -1.85 -3.44 115.11 122.64 1ab7 h GLN 55 Ca 0.00 0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.17 1ab7 h GLN 55 Cb 0.00 0.05 0.00 0.00 0.05 0.00 0.00 27.48 27.58 1ab7 h GLN 55 CO 0.00 -0.16 0.00 0.34 -1.50 0.00 0.00 178.83 177.51 1ab7 n PHE 56 N -4.63 0.00 -0.23 2.96 7.35 -1.26 -4.67 117.46 116.98 1ab7 n PHE 56 Ca -0.03 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.61 1ab7 n PHE 56 Cb 0.10 0.00 0.11 0.00 0.35 0.00 0.00 39.48 40.04 1ab7 n PHE 56 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1ab7 h GLU 57 N 0.00 1.06 0.00 -4.13 4.81 -1.93 0.15 114.58 114.54 1ab7 h GLU 57 Ca 0.00 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.01 1ab7 h GLU 57 Cb 0.00 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.22 1ab7 h GLU 57 CO 0.00 0.89 -0.08 -0.56 -0.73 0.00 0.00 179.01 178.53 1ab7 h GLN 58 N 1.02 0.00 -0.22 1.92 -0.00 -1.89 -2.71 115.11 113.24 1ab7 h GLN 58 Ca 0.23 0.00 0.06 0.00 -0.00 0.00 0.00 58.65 58.94 1ab7 h GLN 58 Cb 0.27 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.74 1ab7 h GLN 58 CO -0.01 0.50 0.29 0.77 -0.00 0.00 0.00 178.83 180.38 1ab7 h SER 59 N -1.00 0.00 0.93 0.06 0.02 -1.78 0.65 113.55 112.44 1ab7 h SER 59 Ca -0.02 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.74 1ab7 h SER 59 Cb 0.54 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 1ab7 h SER 59 CO -0.01 0.00 -1.14 0.50 -1.14 0.00 0.00 176.83 175.04 1ab7 h LYS 60 N 0.00 0.00 0.04 3.45 3.64 -1.02 -3.37 116.57 119.31 1ab7 h LYS 60 Ca 0.10 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1ab7 h LYS 60 Cb 0.69 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1ab7 h LYS 60 CO -0.00 0.60 -0.02 0.37 -2.27 0.00 0.00 179.45 178.13 1ab7 h GLN 61 N 0.00 -0.05 -1.38 1.90 4.15 -0.53 -3.30 115.11 115.90 1ab7 h GLN 61 Ca -0.11 0.00 0.40 0.00 0.77 0.00 0.00 58.65 59.72 1ab7 h GLN 61 Cb 1.69 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 29.34 1ab7 h GLN 61 CO 0.08 -0.04 1.17 1.47 -1.93 0.00 0.00 178.83 179.58 1ab7 n LEU 62 N -3.36 0.00 0.00 -2.39 -0.00 -1.03 -4.20 117.00 106.02 1ab7 n LEU 62 Ca -0.01 0.78 0.00 0.00 -0.00 0.00 0.00 56.01 56.78 1ab7 n LEU 62 Cb 0.02 -0.34 0.00 0.00 -0.00 0.00 0.00 43.42 43.10 1ab7 n LEU 62 CO 0.02 -0.78 0.00 1.07 -0.00 0.00 0.00 177.39 177.70 1ab7 n THR 63 N -3.38 0.00 -2.96 1.47 5.66 -1.24 -4.90 114.28 108.92 1ab7 n THR 63 Ca 0.31 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 61.30 1ab7 n THR 63 Cb 1.58 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 70.36 1ab7 n THR 63 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1ab7 s GLU 64 N 4.71 0.84 0.00 1.09 -1.05 -1.25 -4.88 118.70 118.15 1ab7 s GLU 64 Ca 0.00 -0.57 0.00 0.00 -0.15 0.00 0.00 54.97 54.25 1ab7 s GLU 64 Cb 0.00 0.03 0.00 0.00 -0.44 0.00 0.00 34.13 33.72 1ab7 s GLU 64 CO 0.00 -1.12 0.00 0.09 0.95 0.00 0.00 175.26 175.18 1ab7 n ASN 65 N 3.66 0.00 -0.08 0.83 3.02 -1.26 -4.89 115.26 116.54 1ab7 n ASN 65 Ca 0.13 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.62 1ab7 n ASN 65 Cb 0.58 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.74 1ab7 n ASN 65 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1ab7 h GLY 66 N 0.00 0.24 0.24 7.41 0.00 -1.90 0.37 103.07 109.44 1ab7 h GLY 66 Ca 0.00 0.08 -0.07 0.00 0.00 0.00 0.00 47.33 47.35 1ab7 h GLY 66 CO 0.00 -0.11 -0.30 0.00 0.00 0.00 0.00 176.54 176.14 1ab7 h ALA 67 N 1.30 -0.03 0.00 3.60 0.00 -1.87 -3.14 119.26 119.11 1ab7 h ALA 67 Ca 0.15 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1ab7 h ALA 67 Cb 0.22 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1ab7 h ALA 67 CO -0.30 0.14 0.30 1.49 0.00 0.00 0.00 179.25 180.88 1ab7 h GLU 68 N -0.78 0.00 0.00 0.00 4.81 -1.89 -0.98 114.58 115.74 1ab7 h GLU 68 Ca -0.05 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1ab7 h GLU 68 Cb 1.23 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 1ab7 h GLU 68 CO 0.05 0.00 -0.35 0.77 -0.73 0.00 0.00 179.01 178.75 1ab7 h SER 69 N 0.00 0.00 -0.63 1.04 0.02 -0.95 -0.80 113.55 112.23 1ab7 h SER 69 Ca 0.00 -0.09 0.18 0.00 -0.84 0.00 0.00 61.79 61.04 1ab7 h SER 69 Cb 0.61 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.12 1ab7 h SER 69 CO 0.00 0.73 0.60 0.58 -1.14 0.00 0.00 176.83 177.60 1ab7 h VAL 70 N -1.00 0.36 0.15 2.27 2.07 -1.42 0.43 116.25 119.12 1ab7 h VAL 70 Ca -0.03 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.28 1ab7 h VAL 70 Cb 0.41 0.54 0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1ab7 h VAL 70 CO -0.02 0.00 -0.98 0.25 0.02 0.00 0.00 177.57 176.84 1ab7 h LEU 71 N 0.00 0.51 -1.53 2.57 5.85 -1.26 -0.18 115.31 121.27 1ab7 h LEU 71 Ca 0.30 -0.94 0.22 0.00 0.84 0.00 0.00 57.88 58.30 1ab7 h LEU 71 Cb 1.50 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 42.30 1ab7 h LEU 71 CO -0.00 1.47 0.61 1.56 -0.34 0.00 0.00 178.44 181.74 1ab7 h GLN 72 N -0.30 0.36 0.10 1.25 4.20 0.14 -0.15 115.11 120.72 1ab7 h GLN 72 Ca -0.18 -0.02 -0.15 0.00 0.06 0.00 0.00 58.65 58.36 1ab7 h GLN 72 Cb 1.73 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 29.44 1ab7 h GLN 72 CO 0.16 0.24 -0.65 0.28 -0.67 0.00 0.00 178.83 178.18 1ab7 h VAL 73 N 0.37 1.55 -0.07 -0.54 2.07 -1.28 -1.12 116.25 117.23 1ab7 h VAL 73 Ca 0.48 -2.48 0.04 0.00 0.82 0.00 0.00 66.70 65.56 1ab7 h VAL 73 Cb 1.27 3.21 -0.06 0.00 -1.52 0.00 0.00 31.29 34.19 1ab7 h VAL 73 CO -0.18 0.68 -0.34 -0.26 0.02 0.00 0.00 177.57 177.50 1ab7 h PHE 74 N -0.53 -0.94 -0.91 1.57 0.04 0.12 0.17 116.94 116.46 1ab7 h PHE 74 Ca -0.12 0.04 0.02 0.00 2.80 0.00 0.00 57.97 60.71 1ab7 h PHE 74 Cb 1.49 0.42 -0.05 0.00 2.20 0.00 0.00 35.95 40.01 1ab7 h PHE 74 CO 0.21 -0.42 0.60 0.00 -0.60 0.00 0.00 178.31 178.10 1ab7 h ARG 75 N -0.45 1.16 -0.28 1.51 3.08 -1.19 -0.20 114.38 118.01 1ab7 h ARG 75 Ca 0.08 -0.07 0.08 0.00 0.07 0.00 0.00 59.98 60.14 1ab7 h ARG 75 Cb 0.57 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1ab7 h ARG 75 CO -0.32 0.77 0.22 0.93 -1.07 0.00 0.00 179.97 180.49 1ab7 h GLU 76 N 1.19 0.00 0.00 0.04 5.08 0.55 0.46 114.58 121.90 1ab7 h GLU 76 Ca 0.35 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.69 1ab7 h GLU 76 Cb -0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1ab7 h GLU 76 CO -0.09 0.00 -0.10 0.00 -1.00 0.00 0.00 179.01 177.82 1ab7 h ALA 77 N 1.82 0.02 0.00 3.43 0.00 0.94 -1.29 119.26 124.18 1ab7 h ALA 77 Ca 0.13 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1ab7 h ALA 77 Cb 0.57 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1ab7 h ALA 77 CO -0.00 0.07 0.00 1.17 0.00 0.00 0.00 179.25 180.48 1ab7 n LYS 78 N -4.67 0.05 -0.03 0.00 0.00 -0.66 0.20 118.16 113.05 1ab7 n LYS 78 Ca -0.07 0.28 -0.02 0.00 0.00 0.00 0.00 58.31 58.49 1ab7 n LYS 78 Cb 0.29 -1.50 -0.01 0.00 0.00 0.00 0.00 35.03 33.81 1ab7 n LYS 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1ab7 n ALA 79 N -1.43 0.23 0.23 3.14 0.00 0.16 -4.61 120.51 118.23 1ab7 n ALA 79 Ca 0.03 -0.31 -0.18 0.00 0.00 0.00 0.00 53.44 52.99 1ab7 n ALA 79 Cb 0.11 0.01 -0.10 0.00 0.00 0.00 0.00 19.45 19.47 1ab7 n ALA 79 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1ab7 h GLU 80 N -0.42 -0.89 0.00 0.00 4.39 -1.22 -3.44 114.58 112.99 1ab7 h GLU 80 Ca 0.00 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1ab7 h GLU 80 Cb 0.27 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1ab7 h GLU 80 CO 0.00 -0.59 0.00 0.41 -1.16 0.00 0.00 179.01 177.67 1ab7 n GLY 81 N -1.54 0.21 3.05 -3.84 0.00 -0.83 -5.09 105.19 97.16 1ab7 n GLY 81 Ca -0.11 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 1ab7 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ab7 n ALA 82 N -1.33 -5.04 -2.65 4.61 0.00 0.52 -4.84 120.51 111.79 1ab7 n ALA 82 Ca 0.00 -0.60 -0.31 0.00 0.00 0.00 0.00 53.44 52.53 1ab7 n ALA 82 Cb 0.00 -1.21 -0.01 0.00 0.00 0.00 0.00 19.45 18.23 1ab7 n ALA 82 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ab7 n ASP 83 N 3.14 5.47 -4.93 0.00 8.00 -1.26 -3.85 116.55 123.11 1ab7 n ASP 83 Ca -0.00 -3.71 -0.26 0.00 0.71 0.00 0.00 54.79 51.52 1ab7 n ASP 83 Cb 0.55 -0.71 -0.02 0.00 -0.02 0.00 0.00 41.12 40.91 1ab7 n ASP 83 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ab7 s ILE 84 N -4.79 5.16 -0.64 0.53 1.01 -1.26 -1.01 121.20 120.20 1ab7 s ILE 84 Ca 0.47 -0.39 -0.05 0.00 0.00 0.00 0.00 60.65 60.68 1ab7 s ILE 84 Cb 0.31 -3.78 0.17 0.00 0.01 0.00 0.00 42.46 39.16 1ab7 s ILE 84 CO -0.18 -0.32 0.48 -0.89 0.00 0.00 0.00 174.94 174.03 1ab7 s THR 85 N -2.04 4.04 -0.56 2.92 2.01 0.11 -4.67 115.64 117.46 1ab7 s THR 85 Ca 0.39 -2.75 -0.28 0.00 0.31 0.00 0.00 61.69 59.36 1ab7 s THR 85 Cb -0.10 -3.61 0.03 0.00 0.01 0.00 0.00 72.50 68.82 1ab7 s THR 85 CO 0.31 -0.89 1.23 -0.63 -0.69 0.00 0.00 174.62 173.96 1ab7 s ILE 86 N 0.13 3.99 0.03 1.82 1.09 -1.26 0.04 121.20 127.04 1ab7 s ILE 86 Ca 0.16 0.90 0.01 0.00 -1.10 0.00 0.00 60.65 60.62 1ab7 s ILE 86 Cb -0.19 -4.65 -0.04 0.00 -1.06 0.00 0.00 42.46 36.52 1ab7 s ILE 86 CO -0.04 -1.26 0.06 -0.63 -0.10 0.00 0.00 174.94 172.96 1ab7 s ILE 87 N 5.11 4.51 0.00 2.92 1.01 -0.62 -4.97 121.20 129.16 1ab7 s ILE 87 Ca 0.46 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.52 1ab7 s ILE 87 Cb -0.08 -3.09 0.00 0.00 0.01 0.00 0.00 42.46 39.30 1ab7 s ILE 87 CO 0.26 0.28 0.00 0.18 0.00 0.00 0.00 174.94 175.66 1ab7 n LEU 88 N 0.98 0.00 0.00 2.97 4.77 -1.26 -2.20 117.00 122.26 1ab7 n LEU 88 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 1ab7 n LEU 88 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1ab7 n LEU 88 CO 0.39 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 175.25