#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1se7 s TYR 2 N 0.00 0.41 0.14 1.12 1.51 -1.26 -5.16 117.35 114.11 1se7 s TYR 2 Ca 0.00 -0.60 0.04 0.00 -1.01 0.00 0.00 57.07 55.50 1se7 s TYR 2 Cb 0.00 -0.28 -0.04 0.00 -0.11 0.00 0.00 41.96 41.53 1se7 s TYR 2 CO 0.00 -0.18 0.14 -0.51 -1.11 0.00 0.00 175.55 173.88 1se7 s ASP 3 N -1.71 5.60 0.00 2.29 1.11 -1.26 -4.97 116.67 117.73 1se7 s ASP 3 Ca -0.11 -0.07 0.00 0.00 0.18 0.00 0.00 52.55 52.55 1se7 s ASP 3 Cb -0.07 -1.50 0.00 0.00 1.07 0.00 0.00 42.92 42.42 1se7 s ASP 3 CO -0.02 0.09 0.00 -2.67 1.18 0.00 0.00 175.17 173.76 1se7 n TRP 4 N -0.15 0.00 -0.24 4.23 2.14 -1.26 -4.94 117.44 117.21 1se7 n TRP 4 Ca -0.08 0.00 -0.13 0.00 2.07 0.00 0.00 57.50 59.36 1se7 n TRP 4 Cb 0.54 0.04 0.11 0.00 -0.81 0.00 0.00 31.31 31.19 1se7 n TRP 4 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 1se7 n ASN 5 N 0.00 3.43 0.01 -0.67 4.13 -1.26 -4.19 115.26 116.71 1se7 n ASN 5 Ca 0.00 -2.89 0.13 0.00 1.68 0.00 0.00 54.58 53.50 1se7 n ASN 5 Cb 0.19 -0.69 0.56 0.00 -1.54 0.00 0.00 39.78 38.31 1se7 n ASN 5 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1se7 n ILE 6 N -0.39 0.20 0.30 2.41 2.08 -1.26 -3.18 119.36 119.52 1se7 n ILE 6 Ca 0.33 0.01 0.19 0.00 0.56 0.00 0.00 62.75 63.84 1se7 n ILE 6 Cb 1.14 -0.58 0.88 0.00 -0.75 0.00 0.00 39.64 40.33 1se7 n ILE 6 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1se7 h ALA 7 N 2.88 1.00 -2.59 -1.39 0.00 -2.03 -3.43 119.26 113.70 1se7 h ALA 7 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1se7 h ALA 7 Cb 0.49 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.31 1se7 h ALA 7 CO 0.00 0.00 0.79 0.00 0.00 0.00 0.00 179.25 180.04 1se7 s ALA 8 N -3.83 3.67 -0.02 0.00 0.00 -1.19 -4.95 121.76 115.43 1se7 s ALA 8 Ca -0.01 1.24 -0.02 0.00 0.00 0.00 0.00 51.96 53.17 1se7 s ALA 8 Cb 0.10 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.65 1se7 s ALA 8 CO 0.49 -0.69 -0.04 1.63 0.00 0.00 0.00 175.76 177.15 1se7 n LYS 9 N 3.76 0.06 -1.71 0.00 4.76 -1.26 -4.98 118.16 118.79 1se7 n LYS 9 Ca 0.12 0.11 -0.31 0.00 -2.87 0.00 0.00 58.31 55.36 1se7 n LYS 9 Cb 0.41 -0.69 0.03 0.00 -1.84 0.00 0.00 35.03 32.94 1se7 n LYS 9 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1se7 s SER 10 N -4.09 5.71 0.12 4.39 0.01 -1.26 -4.99 113.70 113.59 1se7 s SER 10 Ca -0.03 1.50 -0.13 0.00 1.31 0.00 0.00 55.95 58.60 1se7 s SER 10 Cb 0.00 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.75 1se7 s SER 10 CO 0.05 -1.21 1.49 -0.61 0.41 0.00 0.00 173.24 173.36 1se7 h GLN 11 N -0.56 0.80 0.00 12.44 5.75 -2.01 -2.85 115.11 128.68 1se7 h GLN 11 Ca -0.44 -0.36 -0.01 0.00 -0.15 0.00 0.00 58.65 57.69 1se7 h GLN 11 Cb 1.21 -0.02 -0.00 0.00 1.07 0.00 0.00 27.48 29.74 1se7 h GLN 11 CO 0.59 0.98 -0.06 1.05 -2.65 0.00 0.00 178.83 178.75 1se7 h GLU 12 N 0.59 0.00 0.00 1.69 -0.00 -2.02 -1.05 114.58 113.80 1se7 h GLU 12 Ca 0.08 0.00 -0.11 0.00 -0.00 0.00 0.00 59.36 59.33 1se7 h GLU 12 Cb 0.76 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.49 1se7 h GLU 12 CO 0.06 0.06 -0.51 0.93 -0.00 0.00 0.00 179.01 179.55 1se7 h GLU 13 N 0.00 0.00 -0.01 1.06 5.08 -1.90 -3.24 114.58 115.57 1se7 h GLU 13 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1se7 h GLU 13 Cb 0.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1se7 h GLU 13 CO 0.01 0.51 -0.02 0.00 -1.00 0.00 0.00 179.01 178.51 1se7 h ARG 14 N 0.00 0.04 0.16 2.33 3.08 -1.05 -2.87 114.38 116.07 1se7 h ARG 14 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1se7 h ARG 14 Cb 1.35 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.39 1se7 h ARG 14 CO 0.07 0.54 -0.14 -0.44 -1.07 0.00 0.00 179.97 178.93 1se7 h ASP 15 N -0.46 -0.37 -0.76 7.04 3.32 -1.63 0.44 116.42 124.00 1se7 h ASP 15 Ca 0.00 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.12 1se7 h ASP 15 Cb 0.54 0.13 -0.05 0.00 0.22 0.00 0.00 39.33 40.17 1se7 h ASP 15 CO 0.00 -0.22 0.48 0.11 -1.72 0.00 0.00 179.24 177.90 1se7 h LYS 16 N -0.32 0.91 0.01 3.56 1.57 -1.67 -1.37 116.57 119.26 1se7 h LYS 16 Ca -0.00 -0.05 -0.20 0.00 -1.87 0.00 0.00 60.65 58.52 1se7 h LYS 16 Cb 0.30 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1se7 h LYS 16 CO -0.02 0.60 -0.97 0.28 -0.57 0.00 0.00 179.45 178.77 1se7 h VAL 17 N 0.94 1.68 -0.29 0.50 2.07 -1.32 -2.44 116.25 117.39 1se7 h VAL 17 Ca 0.30 -3.26 -0.05 0.00 0.82 0.00 0.00 66.70 64.52 1se7 h VAL 17 Cb 0.01 2.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 1se7 h VAL 17 CO -0.11 0.93 -0.02 0.78 0.02 0.00 0.00 177.57 179.18 1se7 h ASN 18 N 0.01 0.51 1.00 0.57 -0.26 0.21 0.99 115.58 118.61 1se7 h ASN 18 Ca -0.02 -0.32 -0.05 0.00 -0.56 0.00 0.00 56.30 55.35 1se7 h ASN 18 Cb 1.70 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 38.81 1se7 h ASN 18 CO 0.13 0.71 -0.26 1.62 -1.06 0.00 0.00 177.43 178.57 1se7 h VAL 19 N 0.30 0.59 0.06 2.81 3.04 -1.33 -2.83 116.25 118.89 1se7 h VAL 19 Ca 0.08 -1.25 -0.26 0.00 -1.01 0.00 0.00 66.70 64.25 1se7 h VAL 19 Cb 0.46 1.85 0.01 0.00 -2.01 0.00 0.00 31.29 31.60 1se7 h VAL 19 CO 0.02 0.25 -1.10 -0.78 -1.01 0.00 0.00 177.57 174.95 1se7 h ASP 20 N 0.00 0.67 -0.84 3.17 3.58 -1.10 -3.14 116.42 118.76 1se7 h ASP 20 Ca -0.00 -0.59 -0.02 0.00 0.42 0.00 0.00 57.03 56.84 1se7 h ASP 20 Cb 0.83 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 41.63 1se7 h ASP 20 CO 0.03 1.41 0.45 0.17 -2.88 0.00 0.00 179.24 178.42 1se7 h LEU 21 N 0.24 1.06 0.08 2.28 8.10 -0.67 -2.75 115.31 123.65 1se7 h LEU 21 Ca -0.13 -0.11 0.01 0.00 0.11 0.00 0.00 57.88 57.77 1se7 h LEU 21 Cb 1.76 -0.27 -0.05 0.00 -0.44 0.00 0.00 40.66 41.67 1se7 h LEU 21 CO 0.20 0.86 -0.50 0.00 -4.11 0.00 0.00 178.44 174.90 1se7 h ALA 22 N 1.24 -0.96 -0.74 0.17 0.00 -1.48 -0.14 119.26 117.35 1se7 h ALA 22 Ca 0.29 -0.10 0.21 0.00 0.00 0.00 0.00 54.91 55.32 1se7 h ALA 22 Cb 0.05 0.89 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1se7 h ALA 22 CO -0.05 -1.09 0.65 0.00 0.00 0.00 0.00 179.25 178.76 1se7 h ALA 23 N -0.58 2.58 0.43 0.00 0.00 -1.46 -1.95 119.26 118.28 1se7 h ALA 23 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1se7 h ALA 23 Cb 0.70 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1se7 h ALA 23 CO -0.29 -1.03 -0.21 0.77 0.00 0.00 0.00 179.25 178.50 1se7 h SER 24 N 0.00 -0.49 -0.33 0.00 0.02 -0.74 -3.14 113.55 108.86 1se7 h SER 24 Ca 0.35 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.26 1se7 h SER 24 Cb 1.64 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 64.30 1se7 h SER 24 CO -0.00 -0.27 -0.03 1.23 -1.14 0.00 0.00 176.83 176.62 1se7 h GLY 25 N -0.75 0.66 -0.23 -3.77 0.00 -1.27 -0.99 103.07 96.73 1se7 h GLY 25 Ca -0.06 -0.51 0.03 0.00 0.00 0.00 0.00 47.33 46.80 1se7 h GLY 25 CO 0.10 0.47 -0.44 -0.39 0.00 0.00 0.00 176.54 176.27 1se7 h VAL 26 N 0.41 0.00 0.00 4.60 -1.51 -1.49 -2.58 116.25 115.68 1se7 h VAL 26 Ca 0.09 0.00 -0.20 0.00 -1.23 0.00 0.00 66.70 65.36 1se7 h VAL 26 Cb 0.50 0.00 -0.03 0.00 -2.13 0.00 0.00 31.29 29.63 1se7 h VAL 26 CO 0.02 0.00 -1.18 0.00 -1.23 0.00 0.00 177.57 175.18 1se7 n ALA 27 N -2.97 0.74 0.20 5.19 0.00 -1.19 -4.28 120.51 118.21 1se7 n ALA 27 Ca -0.04 -0.50 -0.15 0.00 0.00 0.00 0.00 53.44 52.75 1se7 n ALA 27 Cb 0.29 -0.43 -0.08 0.00 0.00 0.00 0.00 19.45 19.23 1se7 n ALA 27 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1se7 h TYR 28 N -1.00 -1.23 -0.76 0.00 3.20 -1.30 -3.01 116.97 112.86 1se7 h TYR 28 Ca -0.30 0.02 0.16 0.00 3.14 0.00 0.00 58.73 61.75 1se7 h TYR 28 Cb 1.17 0.50 -0.14 0.00 1.54 0.00 0.00 36.73 39.80 1se7 h TYR 28 CO 0.03 -0.55 -0.14 -0.22 -1.64 0.00 0.00 178.16 175.64 1se7 h LYS 29 N -0.79 0.02 -1.63 1.82 3.64 -1.38 0.42 116.57 118.68 1se7 h LYS 29 Ca -0.04 -0.00 0.49 0.00 -1.27 0.00 0.00 60.65 59.83 1se7 h LYS 29 Cb 0.71 -0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.44 1se7 h LYS 29 CO -0.12 0.01 1.15 0.39 -2.27 0.00 0.00 179.45 178.61 1se7 n GLU 30 N -5.46 -0.01 -4.47 1.90 -0.58 -1.14 -3.26 120.64 107.61 1se7 n GLU 30 Ca 0.12 1.02 -0.23 0.00 -0.42 0.00 0.00 57.16 57.65 1se7 n GLU 30 Cb 0.42 -2.24 -0.11 0.00 -0.57 0.00 0.00 31.44 28.94 1se7 n GLU 30 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 1se7 s ARG 31 N -4.78 1.66 0.00 3.49 6.06 0.15 -4.78 118.95 120.75 1se7 s ARG 31 Ca -0.05 -1.89 0.00 0.00 -2.50 0.00 0.00 55.73 51.29 1se7 s ARG 31 Cb 0.25 -1.16 0.00 0.00 0.06 0.00 0.00 34.95 34.10 1se7 s ARG 31 CO 0.78 -0.05 0.00 1.28 -2.50 0.00 0.00 175.30 174.81 1se7 n LEU 32 N -0.69 0.00 -1.80 -0.88 4.32 -1.18 -4.13 117.00 112.65 1se7 n LEU 32 Ca -0.04 0.00 -0.01 0.00 -0.02 0.00 0.00 56.01 55.93 1se7 n LEU 32 Cb 0.65 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.45 1se7 n LEU 32 CO 0.42 0.00 0.02 0.59 -1.22 0.00 0.00 177.39 177.20 1se7 n ASN 33 N 1.23 -3.28 -4.72 -1.43 5.03 -1.20 -3.63 115.26 107.26 1se7 n ASN 33 Ca 0.00 0.09 -0.35 0.00 0.87 0.00 0.00 54.58 55.19 1se7 n ASN 33 Cb 0.00 -1.95 -0.09 0.00 -1.02 0.00 0.00 39.78 36.73 1se7 n ASN 33 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1se7 s ILE 34 N -1.62 4.88 -0.50 2.41 1.09 -1.25 -5.02 121.20 121.18 1se7 s ILE 34 Ca 0.04 -0.02 -0.05 0.00 -1.10 0.00 0.00 60.65 59.52 1se7 s ILE 34 Cb -0.01 -3.14 -0.07 0.00 -1.06 0.00 0.00 42.46 38.19 1se7 s ILE 34 CO 0.17 0.55 3.06 -0.81 -0.10 0.00 0.00 174.94 177.80 1se7 n PRO 35 N 2.70 2.64 -4.26 2.79 -0.04 -1.26 -4.84 135.00 132.72 1se7 n PRO 35 Ca -0.18 -1.98 -0.22 0.00 -0.04 0.00 0.00 63.50 61.08 1se7 n PRO 35 Cb 0.53 -2.21 -0.12 0.00 -0.04 0.00 0.00 33.50 31.66 1se7 n PRO 35 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1se7 s VAL 36 N -0.54 1.57 -0.19 0.52 -7.23 -1.26 -5.12 120.40 108.15 1se7 s VAL 36 Ca 0.62 -1.55 -0.26 0.00 -1.81 0.00 0.00 61.98 58.99 1se7 s VAL 36 Cb 0.32 -1.48 -0.01 0.00 0.56 0.00 0.00 36.38 35.77 1se7 s VAL 36 CO -0.11 -0.15 0.88 -0.63 -0.31 0.00 0.00 175.10 174.78 1se7 s ILE 37 N -1.35 4.83 -0.13 -0.62 -1.09 -1.26 -4.95 121.20 116.63 1se7 s ILE 37 Ca 0.06 1.73 -0.19 0.00 -2.23 0.00 0.00 60.65 60.02 1se7 s ILE 37 Cb -0.09 -4.18 -0.17 0.00 -1.58 0.00 0.00 42.46 36.44 1se7 s ILE 37 CO 0.04 -0.03 0.49 0.00 -1.23 0.00 0.00 174.94 174.20 1se7 h ALA 38 N 7.41 0.00 0.00 9.38 0.00 -1.95 -3.27 119.26 130.82 1se7 h ALA 38 Ca -0.26 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1se7 h ALA 38 Cb 1.11 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1se7 h ALA 38 CO 0.87 0.02 0.39 1.05 0.00 0.00 0.00 179.25 181.57 1se7 h GLU 39 N -1.00 0.00 -0.08 0.00 4.11 -1.98 0.61 114.58 116.24 1se7 h GLU 39 Ca -0.01 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.33 1se7 h GLU 39 Cb 0.66 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1se7 h GLU 39 CO -0.00 0.00 -0.39 0.37 0.07 0.00 0.00 179.01 179.06 1se7 h GLN 40 N 0.00 0.17 0.00 1.06 4.15 -1.98 -2.66 115.11 115.86 1se7 h GLN 40 Ca 0.00 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.34 1se7 h GLN 40 Cb 0.77 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.46 1se7 h GLN 40 CO 0.00 0.54 -1.12 1.33 -1.93 0.00 0.00 178.83 177.64 1se7 n VAL 41 N -4.05 0.53 0.36 2.39 0.24 0.21 -3.98 118.33 114.03 1se7 n VAL 41 Ca -0.01 -0.53 0.14 0.00 -2.04 0.00 0.00 64.34 61.90 1se7 n VAL 41 Cb 0.45 -0.28 0.52 0.00 -1.47 0.00 0.00 33.84 33.07 1se7 n VAL 41 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1se7 h ALA 42 N 2.02 1.00 -0.00 2.33 0.00 -0.98 -1.13 119.26 122.50 1se7 h ALA 42 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1se7 h ALA 42 Cb 0.99 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1se7 h ALA 42 CO 0.00 0.00 -0.28 2.89 0.00 0.00 0.00 179.25 181.86 1se7 n ARG 43 N -2.64 0.54 0.00 0.00 -4.01 -1.16 -4.61 116.66 104.78 1se7 n ARG 43 Ca 0.02 -0.29 0.00 0.00 -1.04 0.00 0.00 57.85 56.54 1se7 n ARG 43 Cb 0.31 -1.49 0.00 0.00 -3.04 0.00 0.00 32.46 28.24 1se7 n ARG 43 CO 0.00 0.00 0.00 -0.85 -3.04 0.00 0.00 177.63 173.74 1se7 n GLU 44 N -0.98 0.00 -3.01 2.89 0.28 -1.02 -5.06 120.64 113.73 1se7 n GLU 44 Ca 0.11 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.88 1se7 n GLU 44 Cb 0.33 -0.03 0.01 0.00 1.43 0.00 0.00 31.44 33.19 1se7 n GLU 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1se7 n GLN 45 N -2.55 -1.19 -1.51 3.44 10.64 -0.46 -4.73 117.38 121.01 1se7 n GLN 45 Ca 0.00 0.76 -0.46 0.00 -1.83 0.00 0.00 57.00 55.47 1se7 n GLN 45 Cb 0.00 -1.42 -0.02 0.00 -0.86 0.00 0.00 30.24 27.94 1se7 n GLN 45 CO 0.00 0.00 0.00 -2.30 -1.83 0.00 0.00 177.06 172.93 1se7 n PRO 46 N -0.94 0.76 -0.07 2.61 -0.02 -1.26 -4.87 135.00 131.21 1se7 n PRO 46 Ca -0.13 0.27 -0.11 0.00 -2.02 0.00 0.00 63.50 61.51 1se7 n PRO 46 Cb 0.47 -1.48 -0.09 0.00 -0.02 0.00 0.00 33.50 32.38 1se7 n PRO 46 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1se7 h GLU 47 N 1.57 0.00 -0.91 -0.52 4.81 -1.99 -1.30 114.58 116.25 1se7 h GLU 47 Ca -0.35 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.88 1se7 h GLU 47 Cb 1.38 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.76 1se7 h GLU 47 CO 0.59 0.70 0.00 0.09 -0.73 0.00 0.00 179.01 179.66 1se7 n ASN 48 N -4.64 1.03 0.00 1.04 3.02 -1.26 -1.58 115.26 112.88 1se7 n ASN 48 Ca -0.10 -1.16 0.00 0.00 -0.03 0.00 0.00 54.58 53.30 1se7 n ASN 48 Cb 0.37 -0.29 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 1se7 n ASN 48 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1se7 n LEU 49 N 0.40 0.00 -0.19 3.41 -0.00 -1.25 -4.93 117.00 114.45 1se7 n LEU 49 Ca 0.00 -0.19 -0.01 0.00 -0.00 0.00 0.00 56.01 55.81 1se7 n LEU 49 Cb 0.20 0.00 0.22 0.00 -0.00 0.00 0.00 43.42 43.85 1se7 n LEU 49 CO 0.00 0.33 1.15 -0.09 -0.00 0.00 0.00 177.39 178.78 1se7 h ARG 50 N 0.00 0.95 -0.44 1.96 2.43 -0.20 -2.36 114.38 116.71 1se7 h ARG 50 Ca 0.00 -0.10 0.09 0.00 -0.81 0.00 0.00 59.98 59.16 1se7 h ARG 50 Cb 0.71 -0.19 -0.08 0.00 -0.42 0.00 0.00 29.97 29.99 1se7 h ARG 50 CO 0.00 0.69 -0.11 1.15 -1.51 0.00 0.00 179.97 180.19 1se7 h THR 51 N 0.96 0.56 -0.65 0.20 2.02 -1.86 0.09 112.91 114.22 1se7 h THR 51 Ca 0.24 -0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.50 1se7 h THR 51 Cb 0.02 0.56 -0.06 0.00 -1.74 0.00 0.00 68.15 66.92 1se7 h THR 51 CO -0.04 0.00 0.32 0.22 0.37 0.00 0.00 175.52 176.39 1se7 h TYR 52 N 0.00 0.57 -0.53 3.16 3.20 -1.83 0.27 116.97 121.82 1se7 h TYR 52 Ca 0.21 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.14 1se7 h TYR 52 Cb 0.32 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.40 1se7 h TYR 52 CO -0.39 0.23 0.35 0.35 -1.64 0.00 0.00 178.16 177.07 1se7 h PHE 53 N 0.57 0.59 -0.19 -3.82 3.04 -0.88 0.16 116.94 116.40 1se7 h PHE 53 Ca 0.31 0.01 -0.11 0.00 3.98 0.00 0.00 57.97 62.16 1se7 h PHE 53 Cb 0.29 -0.20 -0.00 0.00 2.56 0.00 0.00 35.95 38.60 1se7 h PHE 53 CO -0.11 0.34 -0.32 0.52 -2.02 0.00 0.00 178.31 176.72 1se7 h MET 54 N 0.61 0.56 -0.80 1.11 0.00 0.60 -0.21 114.93 116.80 1se7 h MET 54 Ca 0.21 -0.35 0.10 0.00 0.00 0.00 0.00 59.70 59.66 1se7 h MET 54 Cb 0.10 0.04 -0.05 0.00 0.00 0.00 0.00 31.60 31.68 1se7 h MET 54 CO -0.06 0.95 0.52 0.93 0.00 0.00 0.00 176.91 179.26 1se7 h GLU 55 N 0.23 0.71 -0.22 1.72 5.08 -0.12 0.85 114.58 122.83 1se7 h GLU 55 Ca 0.01 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.14 1se7 h GLU 55 Cb 0.91 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1se7 h GLU 55 CO 0.07 0.47 -0.62 0.00 -1.00 0.00 0.00 179.01 177.94 1se7 h ARG 56 N 0.73 0.75 0.26 2.33 2.47 -0.77 -2.89 114.38 117.26 1se7 h ARG 56 Ca 0.37 -0.51 -0.00 0.00 -1.26 0.00 0.00 59.98 58.57 1se7 h ARG 56 Cb 0.45 0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.81 1se7 h ARG 56 CO -0.14 1.14 -0.44 -0.07 0.56 0.00 0.00 179.97 181.01 1se7 h LEU 57 N 0.55 -1.27 -1.60 3.04 3.38 0.10 0.50 115.31 120.01 1se7 h LEU 57 Ca -0.01 0.12 0.20 0.00 0.09 0.00 0.00 57.88 58.28 1se7 h LEU 57 Cb 1.21 0.45 -0.06 0.00 0.09 0.00 0.00 40.66 42.35 1se7 h LEU 57 CO 0.13 -0.52 0.58 0.08 0.09 0.00 0.00 178.44 178.79 1se7 h ARG 58 N -0.75 0.33 0.09 1.13 0.11 -1.45 0.43 114.38 114.26 1se7 h ARG 58 Ca -0.03 -0.02 -0.00 0.00 0.10 0.00 0.00 59.98 60.03 1se7 h ARG 58 Cb 0.70 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.70 1se7 h ARG 58 CO -0.15 0.22 -0.04 1.25 0.10 0.00 0.00 179.97 181.34 1se7 h HIS 59 N 0.34 -0.11 0.00 4.08 2.76 -0.89 0.18 115.15 121.51 1se7 h HIS 59 Ca 0.44 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.56 1se7 h HIS 59 Cb 1.17 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 30.16 1se7 h HIS 59 CO -0.00 0.22 -0.20 1.88 -1.30 0.00 0.00 177.93 178.53 1se7 h TYR 60 N -0.45 0.00 -0.24 5.26 0.05 0.15 -2.17 116.97 119.57 1se7 h TYR 60 Ca -0.01 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.66 1se7 h TYR 60 Cb 0.38 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.12 1se7 h TYR 60 CO 0.03 0.20 -0.26 0.00 -1.05 0.00 0.00 178.16 177.08 1se7 h ARG 61 N 0.00 0.59 -0.86 4.88 3.08 -0.02 0.24 114.38 122.29 1se7 h ARG 61 Ca -0.00 -0.32 0.22 0.00 0.07 0.00 0.00 59.98 59.94 1se7 h ARG 61 Cb 0.38 0.02 -0.13 0.00 0.08 0.00 0.00 29.97 30.31 1se7 h ARG 61 CO 0.03 0.92 0.27 1.96 -1.07 0.00 0.00 179.97 182.08 1se7 h GLN 62 N 0.29 0.27 0.16 0.04 4.20 -0.28 0.43 115.11 120.21 1se7 h GLN 62 Ca 0.03 -0.02 -0.24 0.00 0.06 0.00 0.00 58.65 58.49 1se7 h GLN 62 Cb 0.82 -0.06 0.03 0.00 0.30 0.00 0.00 27.48 28.57 1se7 h GLN 62 CO 0.06 0.18 -1.02 -0.07 -0.67 0.00 0.00 178.83 177.31 1se7 h LEU 63 N 0.27 0.63 -0.77 1.46 -0.00 -1.49 -3.14 115.31 112.26 1se7 h LEU 63 Ca 0.53 -0.91 0.01 0.00 -0.00 0.00 0.00 57.88 57.50 1se7 h LEU 63 Cb 1.03 -0.20 -0.00 0.00 -0.00 0.00 0.00 40.66 41.48 1se7 h LEU 63 CO -0.59 1.49 0.75 0.77 -0.00 0.00 0.00 178.44 180.86 1se7 h SER 64 N -0.13 0.00 0.00 -0.43 4.64 0.12 0.43 113.55 118.19 1se7 h SER 64 Ca -0.17 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.90 1se7 h SER 64 Cb 1.79 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.84 1se7 h SER 64 CO 0.19 0.00 -1.59 0.18 -0.87 0.00 0.00 176.83 174.75 1se7 n LEU 65 N -2.66 1.90 0.28 5.97 4.77 -0.89 -4.64 117.00 121.72 1se7 n LEU 65 Ca -0.00 0.41 -0.16 0.00 -0.03 0.00 0.00 56.01 56.22 1se7 n LEU 65 Cb 0.78 -0.86 -0.08 0.00 -2.33 0.00 0.00 43.42 40.92 1se7 n LEU 65 CO 0.06 0.18 0.71 0.06 -1.33 0.00 0.00 177.39 177.06 1se7 h GLN 66 N -1.00 -0.64 -7.31 3.23 -0.00 -0.26 -3.44 115.11 105.68 1se7 h GLN 66 Ca -0.37 0.04 -0.49 0.00 -0.00 0.00 0.00 58.65 57.83 1se7 h GLN 66 Cb 1.25 0.15 0.15 0.00 -0.00 0.00 0.00 27.48 29.03 1se7 h GLN 66 CO -0.22 -0.43 0.25 -0.48 -0.00 0.00 0.00 178.83 177.94 1se7 s LEU 67 N -10.10 2.44 0.00 0.06 0.05 0.65 -5.06 118.68 106.72 1se7 s LEU 67 Ca -0.16 1.68 0.00 0.00 0.05 0.00 0.00 54.13 55.70 1se7 s LEU 67 Cb 0.04 -4.13 0.00 0.00 -2.05 0.00 0.00 46.19 40.05 1se7 s LEU 67 CO 0.63 -2.66 0.00 -0.81 -0.55 0.00 0.00 176.35 172.96 1se7 n PRO 68 N -3.92 0.00 -0.03 1.48 -0.04 -1.26 -4.86 135.00 126.37 1se7 n PRO 68 Ca 0.08 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.57 1se7 n PRO 68 Cb 0.54 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.04 1se7 n PRO 68 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1se7 n LYS 69 N 0.00 0.82 0.00 0.54 5.02 -1.26 -4.47 118.16 118.81 1se7 n LYS 69 Ca 0.00 -1.14 0.00 0.00 -2.02 0.00 0.00 58.31 55.15 1se7 n LYS 69 Cb 0.00 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 1se7 n LYS 69 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1se7 n GLY 70 N 0.20 0.00 1.28 0.72 0.00 -1.24 -3.08 105.19 103.07 1se7 n GLY 70 Ca 0.04 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.23 1se7 n GLY 70 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1se7 n SER 71 N -0.15 -7.65 -3.70 1.61 2.88 -1.26 -4.91 113.62 100.45 1se7 n SER 71 Ca 0.00 0.68 -0.14 0.00 -1.33 0.00 0.00 58.87 58.08 1se7 n SER 71 Cb 0.00 -3.99 -0.09 0.00 -0.75 0.00 0.00 64.21 59.38 1se7 n SER 71 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1se7 s ASP 72 N -6.74 -0.51 0.27 -3.46 2.15 -1.26 -5.03 116.67 102.09 1se7 s ASP 72 Ca 0.00 0.94 -0.01 0.00 0.43 0.00 0.00 52.55 53.92 1se7 s ASP 72 Cb 0.00 0.96 0.50 0.00 -0.30 0.00 0.00 42.92 44.07 1se7 s ASP 72 CO 0.00 -0.22 1.84 -0.65 -0.17 0.00 0.00 175.17 175.97 1se7 h PRO 73 N 5.13 0.96 -0.52 4.34 0.11 -2.00 0.35 132.00 140.37 1se7 h PRO 73 Ca -0.28 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1se7 h PRO 73 Cb 1.17 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1se7 h PRO 73 CO 0.21 0.63 0.00 0.00 -0.21 0.00 0.00 178.00 178.63 1se7 n ALA 74 N -2.36 2.59 0.34 -0.75 0.00 -1.26 -2.92 120.51 116.15 1se7 n ALA 74 Ca 0.17 -0.24 0.04 0.00 0.00 0.00 0.00 53.44 53.42 1se7 n ALA 74 Cb 0.31 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 18.79 1se7 n ALA 74 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1se7 n TYR 75 N -0.05 0.00 -2.59 0.00 9.36 0.11 -4.94 117.16 119.06 1se7 n TYR 75 Ca 0.04 -0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.83 1se7 n TYR 75 Cb 0.24 -0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.93 1se7 n TYR 75 CO 0.00 0.00 0.00 -0.65 0.22 0.00 0.00 176.86 176.43 1se7 s GLN 76 N -0.68 3.82 0.08 2.98 -1.52 -1.15 -4.95 119.66 118.24 1se7 s GLN 76 Ca 0.10 0.75 0.04 0.00 -1.95 0.00 0.00 55.36 54.30 1se7 s GLN 76 Cb 0.07 -3.87 -0.03 0.00 -0.22 0.00 0.00 33.01 28.96 1se7 s GLN 76 CO 0.10 -1.25 -0.11 -1.59 -0.25 0.00 0.00 175.29 172.19 1se7 s LYS 77 N 4.25 0.76 0.02 2.91 0.00 -1.26 -1.48 119.74 124.94 1se7 s LYS 77 Ca 0.48 -0.99 -0.18 0.00 0.00 0.00 0.00 55.97 55.28 1se7 s LYS 77 Cb -0.09 -0.58 -0.29 0.00 0.00 0.00 0.00 37.83 36.86 1se7 s LYS 77 CO 0.27 0.11 1.05 0.22 0.00 0.00 0.00 175.35 177.00 1se7 h ASP 78 N 4.03 0.71 0.00 0.03 3.58 -1.95 -3.45 116.42 119.37 1se7 h ASP 78 Ca -0.38 -0.85 0.00 0.00 0.42 0.00 0.00 57.03 56.22 1se7 h ASP 78 Cb 1.19 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 42.02 1se7 h ASP 78 CO 0.46 1.49 0.00 0.47 -2.88 0.00 0.00 179.24 178.78 1se7 n ASP 79 N -3.96 0.00 -0.25 2.28 8.00 -1.26 -4.99 116.55 116.38 1se7 n ASP 79 Ca -0.13 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.37 1se7 n ASP 79 Cb 0.89 0.06 0.00 0.00 -0.02 0.00 0.00 41.12 42.05 1se7 n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1se7 n ALA 80 N -2.42 1.47 -3.76 2.24 0.00 -1.26 -5.10 120.51 111.67 1se7 n ALA 80 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1se7 n ALA 80 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 1se7 n ALA 80 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1se7 s VAL 81 N 0.00 0.60 0.10 0.00 1.01 -1.26 -5.10 120.40 115.75 1se7 s VAL 81 Ca 0.00 -0.06 -0.31 0.00 0.00 0.00 0.00 61.98 61.61 1se7 s VAL 81 Cb 0.00 -0.69 -0.10 0.00 0.00 0.00 0.00 36.38 35.60 1se7 s VAL 81 CO 0.00 0.28 1.75 -0.54 0.00 0.00 0.00 175.10 176.59 1se7 s LYS 82 N 1.62 4.16 0.00 2.72 3.01 -1.26 -3.43 119.74 126.56 1se7 s LYS 82 Ca 0.01 2.48 0.21 0.00 -1.01 0.00 0.00 55.97 57.66 1se7 s LYS 82 Cb -0.13 -3.57 0.17 0.00 -1.01 0.00 0.00 37.83 33.29 1se7 s LYS 82 CO -0.04 -0.79 1.18 0.36 0.51 0.00 0.00 175.35 176.56