#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1se7 n TYR 2 N 0.00 -1.21 -0.76 2.03 4.01 -1.26 -4.76 117.16 115.21 1se7 n TYR 2 Ca 0.00 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.44 1se7 n TYR 2 Cb 0.00 0.20 0.20 0.00 -0.31 0.00 0.00 39.34 39.42 1se7 n TYR 2 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1se7 s ASP 3 N -4.00 2.21 0.00 7.72 1.01 -1.26 -4.96 116.67 117.39 1se7 s ASP 3 Ca 0.00 1.73 0.00 0.00 0.71 0.00 0.00 52.55 54.99 1se7 s ASP 3 Cb 0.00 -2.36 0.00 0.00 1.01 0.00 0.00 42.92 41.57 1se7 s ASP 3 CO 0.00 -3.47 0.00 -2.67 0.21 0.00 0.00 175.17 169.24 1se7 n TRP 4 N -4.45 0.00 -0.65 4.23 4.27 -1.26 -4.89 117.44 114.69 1se7 n TRP 4 Ca 0.07 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.54 1se7 n TRP 4 Cb 0.54 0.00 0.04 0.00 -1.36 0.00 0.00 31.31 30.53 1se7 n TRP 4 CO 0.00 0.00 0.00 -1.71 -2.29 0.00 0.00 177.69 173.69 1se7 n ASN 5 N -0.09 5.73 0.14 -0.67 2.85 -1.26 -4.41 115.26 117.55 1se7 n ASN 5 Ca 0.00 -2.91 0.12 0.00 -0.11 0.00 0.00 54.58 51.68 1se7 n ASN 5 Cb 0.00 -0.99 0.51 0.00 1.24 0.00 0.00 39.78 40.55 1se7 n ASN 5 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1se7 n ILE 6 N 0.39 0.86 0.23 -1.44 2.08 -1.26 -2.37 119.36 117.84 1se7 n ILE 6 Ca 0.25 0.32 0.10 0.00 0.56 0.00 0.00 62.75 63.99 1se7 n ILE 6 Cb 0.65 -1.27 0.49 0.00 -0.75 0.00 0.00 39.64 38.75 1se7 n ILE 6 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1se7 n ALA 7 N -1.78 1.24 -2.53 -1.39 0.00 -1.26 -4.50 120.51 110.29 1se7 n ALA 7 Ca 0.01 0.14 -0.42 0.00 0.00 0.00 0.00 53.44 53.17 1se7 n ALA 7 Cb 0.20 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.32 1se7 n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1se7 s ALA 8 N -3.40 3.02 -0.18 0.00 0.00 -1.00 -4.88 121.76 115.32 1se7 s ALA 8 Ca 0.00 -0.60 -0.17 0.00 0.00 0.00 0.00 51.96 51.19 1se7 s ALA 8 Cb 0.07 -3.99 -0.14 0.00 0.00 0.00 0.00 23.12 19.06 1se7 s ALA 8 CO 0.24 -2.54 0.12 0.87 0.00 0.00 0.00 175.76 174.44 1se7 h LYS 9 N 9.83 0.00 -7.24 0.00 6.56 -1.91 -3.43 116.57 120.37 1se7 h LYS 9 Ca -0.25 0.00 -0.50 0.00 -1.06 0.00 0.00 60.65 58.84 1se7 h LYS 9 Cb 1.07 0.00 0.20 0.00 -0.57 0.00 0.00 32.23 32.93 1se7 h LYS 9 CO 1.15 0.64 0.17 0.45 -2.06 0.00 0.00 179.45 179.81 1se7 s SER 10 N -6.40 2.41 -0.12 0.86 0.15 -1.26 -4.90 113.70 104.44 1se7 s SER 10 Ca -0.22 2.07 -0.28 0.00 0.70 0.00 0.00 55.95 58.22 1se7 s SER 10 Cb 0.04 -2.53 -0.25 0.00 -1.71 0.00 0.00 66.02 61.58 1se7 s SER 10 CO 0.45 -3.40 0.86 -0.61 1.20 0.00 0.00 173.24 171.74 1se7 h GLN 11 N -2.08 -0.00 -0.09 5.44 4.15 -2.00 -2.89 115.11 117.65 1se7 h GLN 11 Ca -0.47 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 58.94 1se7 h GLN 11 Cb 1.28 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.97 1se7 h GLN 11 CO 0.43 0.89 0.02 0.93 -1.93 0.00 0.00 178.83 179.17 1se7 h GLU 12 N -0.90 0.12 0.00 1.69 3.07 -2.00 -1.53 114.58 115.04 1se7 h GLU 12 Ca -0.00 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1se7 h GLU 12 Cb 0.90 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.78 1se7 h GLU 12 CO 0.00 0.12 -0.00 0.93 -1.40 0.00 0.00 179.01 178.66 1se7 h GLU 13 N 0.12 -0.00 -0.71 2.33 4.39 -1.95 -3.12 114.58 115.64 1se7 h GLU 13 Ca 0.03 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.66 1se7 h GLU 13 Cb 0.06 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 1se7 h GLU 13 CO -0.00 0.69 0.18 0.07 -1.16 0.00 0.00 179.01 178.79 1se7 h ARG 14 N -0.71 1.13 0.09 2.33 0.11 -1.32 -2.79 114.38 113.22 1se7 h ARG 14 Ca -0.00 -0.27 -0.00 0.00 0.10 0.00 0.00 59.98 59.81 1se7 h ARG 14 Cb 0.70 -0.15 0.00 0.00 1.11 0.00 0.00 29.97 31.63 1se7 h ARG 14 CO 0.00 0.99 -0.04 -0.44 0.10 0.00 0.00 179.97 180.58 1se7 h ASP 15 N 1.07 -0.10 -0.57 0.08 3.32 -1.40 0.21 116.42 119.04 1se7 h ASP 15 Ca 0.22 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 1se7 h ASP 15 Cb 0.37 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 1se7 h ASP 15 CO 0.00 0.04 0.26 0.11 -1.72 0.00 0.00 179.24 177.93 1se7 h LYS 16 N -0.24 0.86 0.10 3.56 1.57 -1.54 -2.21 116.57 118.67 1se7 h LYS 16 Ca -0.01 -0.12 -0.27 0.00 -1.87 0.00 0.00 60.65 58.37 1se7 h LYS 16 Cb 0.20 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.36 1se7 h LYS 16 CO 0.02 0.69 -1.18 -0.39 -0.57 0.00 0.00 179.45 178.02 1se7 h VAL 17 N 0.86 1.42 -0.67 0.50 -1.51 -1.39 -1.06 116.25 114.39 1se7 h VAL 17 Ca 0.21 -2.76 0.02 0.00 -1.23 0.00 0.00 66.70 62.94 1se7 h VAL 17 Cb 0.13 2.76 -0.04 0.00 -2.13 0.00 0.00 31.29 32.02 1se7 h VAL 17 CO -0.02 0.82 0.44 0.78 -1.23 0.00 0.00 177.57 178.36 1se7 h ASN 18 N 0.16 0.73 1.37 4.19 -0.26 -0.33 0.35 115.58 121.77 1se7 h ASN 18 Ca -0.14 -0.01 -0.08 0.00 -0.56 0.00 0.00 56.30 55.51 1se7 h ASN 18 Cb 1.87 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 38.94 1se7 h ASN 18 CO 0.20 0.52 -0.66 1.62 -1.06 0.00 0.00 177.43 178.05 1se7 h VAL 19 N 0.85 0.45 -0.13 2.81 3.04 -1.40 -2.79 116.25 119.09 1se7 h VAL 19 Ca 0.26 -1.70 -0.07 0.00 -1.01 0.00 0.00 66.70 64.18 1se7 h VAL 19 Cb -0.02 2.10 -0.00 0.00 -2.01 0.00 0.00 31.29 31.35 1se7 h VAL 19 CO -0.06 0.26 -0.19 -0.78 -1.01 0.00 0.00 177.57 175.78 1se7 h ASP 20 N 0.00 0.39 0.61 3.17 1.82 0.32 -2.10 116.42 120.62 1se7 h ASP 20 Ca -0.04 -0.53 -0.08 0.00 -0.39 0.00 0.00 57.03 56.00 1se7 h ASP 20 Cb 1.28 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 41.16 1se7 h ASP 20 CO 0.04 0.84 -0.39 0.17 -1.61 0.00 0.00 179.24 178.29 1se7 h LEU 21 N -0.05 0.00 -0.07 2.28 8.10 -0.49 -2.87 115.31 122.21 1se7 h LEU 21 Ca 0.01 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.00 1se7 h LEU 21 Cb 0.76 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.97 1se7 h LEU 21 CO 0.04 0.39 0.03 0.00 -4.11 0.00 0.00 178.44 174.80 1se7 h ALA 22 N 1.61 0.09 -0.06 0.17 0.00 -1.35 -1.08 119.26 118.64 1se7 h ALA 22 Ca -0.00 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1se7 h ALA 22 Cb 0.80 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1se7 h ALA 22 CO 0.05 -0.34 0.05 0.00 0.00 0.00 0.00 179.25 179.01 1se7 h ALA 23 N 0.89 1.95 0.22 0.00 0.00 -1.18 -2.04 119.26 119.10 1se7 h ALA 23 Ca 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1se7 h ALA 23 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1se7 h ALA 23 CO -0.00 -0.08 -0.11 1.03 0.00 0.00 0.00 179.25 180.09 1se7 h SER 24 N 0.00 -0.26 -0.64 0.00 0.87 -1.18 -3.11 113.55 109.24 1se7 h SER 24 Ca 0.03 -0.26 0.05 0.00 -1.23 0.00 0.00 61.79 60.38 1se7 h SER 24 Cb 0.13 0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.10 1se7 h SER 24 CO -0.00 0.25 0.36 1.23 -0.53 0.00 0.00 176.83 178.14 1se7 h GLY 25 N -0.90 0.93 0.42 5.77 0.00 -0.92 0.32 103.07 108.68 1se7 h GLY 25 Ca -0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1se7 h GLY 25 CO 0.05 0.16 -0.45 -2.08 0.00 0.00 0.00 176.54 174.23 1se7 h VAL 26 N 0.67 0.00 0.00 4.60 2.07 -1.48 -3.02 116.25 119.09 1se7 h VAL 26 Ca 0.28 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.73 1se7 h VAL 26 Cb 0.15 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 1se7 h VAL 26 CO -0.17 0.00 -0.70 0.00 0.02 0.00 0.00 177.57 176.73 1se7 h ALA 27 N -0.99 0.08 -1.06 1.67 0.00 -1.46 -3.33 119.26 114.17 1se7 h ALA 27 Ca -0.05 -0.69 0.31 0.00 0.00 0.00 0.00 54.91 54.48 1se7 h ALA 27 Cb 0.76 0.55 -0.13 0.00 0.00 0.00 0.00 17.79 18.97 1se7 h ALA 27 CO -0.07 0.53 0.63 -0.92 0.00 0.00 0.00 179.25 179.43 1se7 h TYR 28 N -1.00 0.84 -0.09 0.00 3.20 -0.54 0.88 116.97 120.26 1se7 h TYR 28 Ca -0.10 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.64 1se7 h TYR 28 Cb 0.73 -0.23 0.01 0.00 1.54 0.00 0.00 36.73 38.78 1se7 h TYR 28 CO -0.11 -0.09 -0.57 -0.22 -1.64 0.00 0.00 178.16 175.53 1se7 h LYS 29 N 0.35 0.54 0.00 1.82 3.11 -1.40 -2.86 116.57 118.13 1se7 h LYS 29 Ca 0.70 -0.46 -0.11 0.00 -2.81 0.00 0.00 60.65 57.97 1se7 h LYS 29 Cb 1.69 0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 33.01 1se7 h LYS 29 CO -0.50 1.09 -0.52 1.49 -2.81 0.00 0.00 179.45 178.20 1se7 h GLU 30 N 0.14 0.00 0.01 1.90 4.22 -1.22 -3.23 114.58 116.40 1se7 h GLU 30 Ca -0.05 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.39 1se7 h GLU 30 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1se7 h GLU 30 CO 0.12 0.52 -0.00 0.00 -2.18 0.00 0.00 179.01 177.47 1se7 h ARG 31 N 0.00 -0.01 0.00 1.92 2.47 -0.97 -3.45 114.38 114.34 1se7 h ARG 31 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1se7 h ARG 31 Cb 1.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.43 1se7 h ARG 31 CO 0.07 -0.01 0.00 1.28 0.56 0.00 0.00 179.97 181.87 1se7 n LEU 32 N -2.19 0.92 0.00 3.04 7.99 -1.08 -4.00 117.00 121.68 1se7 n LEU 32 Ca -0.00 0.01 0.00 0.00 -0.01 0.00 0.00 56.01 56.01 1se7 n LEU 32 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1se7 n LEU 32 CO 0.00 0.00 0.00 -0.46 -1.51 0.00 0.00 177.39 175.42 1se7 n ASN 33 N -0.17 0.00 -4.67 -1.43 0.23 -1.22 -4.29 115.26 103.71 1se7 n ASN 33 Ca 0.00 0.00 -0.48 0.00 -0.53 0.00 0.00 54.58 53.57 1se7 n ASN 33 Cb 0.00 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 37.65 1se7 n ASN 33 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1se7 n ILE 34 N 0.00 0.26 -2.50 1.53 -0.00 -1.25 -4.86 119.36 112.54 1se7 n ILE 34 Ca 0.00 -0.05 -0.40 0.00 -0.00 0.00 0.00 62.75 62.31 1se7 n ILE 34 Cb 0.00 -1.60 -0.03 0.00 -0.00 0.00 0.00 39.64 38.01 1se7 n ILE 34 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 1se7 s PRO 35 N 2.33 3.56 0.16 0.38 0.04 -1.26 -4.48 135.00 135.73 1se7 s PRO 35 Ca 0.86 -1.27 -0.17 0.00 0.04 0.00 0.00 61.00 60.45 1se7 s PRO 35 Cb -0.73 -5.38 0.03 0.00 0.04 0.00 0.00 34.50 28.47 1se7 s PRO 35 CO 0.46 -2.39 0.47 0.14 0.04 0.00 0.00 177.00 175.72 1se7 s VAL 36 N 5.47 0.04 -0.21 -0.36 -7.23 -1.26 -4.94 120.40 111.91 1se7 s VAL 36 Ca 0.51 -0.62 -0.10 0.00 -1.81 0.00 0.00 61.98 59.97 1se7 s VAL 36 Cb 0.00 -1.34 -0.05 0.00 0.56 0.00 0.00 36.38 35.56 1se7 s VAL 36 CO -0.04 -0.19 0.12 -0.63 -0.31 0.00 0.00 175.10 174.05 1se7 s ILE 37 N -3.83 5.22 0.15 -0.62 -1.09 -1.26 -4.98 121.20 114.78 1se7 s ILE 37 Ca 0.06 0.13 -0.13 0.00 -2.23 0.00 0.00 60.65 58.47 1se7 s ILE 37 Cb 0.00 -3.40 0.02 0.00 -1.58 0.00 0.00 42.46 37.51 1se7 s ILE 37 CO -0.08 0.41 1.63 0.00 -1.23 0.00 0.00 174.94 175.67 1se7 h ALA 38 N 7.02 0.64 0.00 9.38 0.00 -1.93 -2.80 119.26 131.57 1se7 h ALA 38 Ca -0.39 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1se7 h ALA 38 Cb 1.16 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1se7 h ALA 38 CO 0.71 0.38 0.00 1.05 0.00 0.00 0.00 179.25 181.38 1se7 h GLU 39 N 0.68 0.00 -0.67 0.00 4.11 -1.96 -2.67 114.58 114.06 1se7 h GLU 39 Ca 0.15 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.54 1se7 h GLU 39 Cb 0.40 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1se7 h GLU 39 CO 0.01 0.00 0.27 0.37 0.07 0.00 0.00 179.01 179.73 1se7 h GLN 40 N 0.00 0.99 0.00 1.06 4.15 -1.91 -2.35 115.11 117.04 1se7 h GLN 40 Ca 0.00 -0.16 -0.01 0.00 0.77 0.00 0.00 58.65 59.25 1se7 h GLN 40 Cb 0.66 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 28.18 1se7 h GLN 40 CO 0.00 0.80 -0.77 -0.39 -1.93 0.00 0.00 178.83 176.54 1se7 h VAL 41 N 0.97 0.02 0.00 2.39 -1.51 -1.56 -3.34 116.25 113.23 1se7 h VAL 41 Ca 0.23 -1.04 -0.06 0.00 -1.23 0.00 0.00 66.70 64.60 1se7 h VAL 41 Cb 0.18 1.64 -0.01 0.00 -2.13 0.00 0.00 31.29 30.97 1se7 h VAL 41 CO -0.02 0.01 -0.28 0.00 -1.23 0.00 0.00 177.57 176.05 1se7 h ALA 42 N 1.98 1.42 -0.00 5.19 0.00 -1.08 -1.82 119.26 124.95 1se7 h ALA 42 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1se7 h ALA 42 Cb 1.02 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1se7 h ALA 42 CO 0.00 0.35 -0.37 2.89 0.00 0.00 0.00 179.25 182.12 1se7 n ARG 43 N -4.03 0.35 -0.07 0.00 -4.01 -1.11 -3.88 116.66 103.91 1se7 n ARG 43 Ca -0.02 -0.20 0.07 0.00 -1.04 0.00 0.00 57.85 56.66 1se7 n ARG 43 Cb 0.34 -1.50 0.09 0.00 -3.04 0.00 0.00 32.46 28.36 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 -1.15 1.64 -2.78 2.89 0.28 -0.94 -5.00 120.64 115.58 1se7 n GLU 44 Ca 0.09 -2.16 -0.43 0.00 -0.16 0.00 0.00 57.16 54.49 1se7 n GLU 44 Cb 0.34 -1.29 -0.04 0.00 1.43 0.00 0.00 31.44 31.88 1se7 n GLU 44 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 1se7 s GLN 45 N -2.16 3.48 -0.25 3.44 0.74 -0.73 -4.68 119.66 119.50 1se7 s GLN 45 Ca 0.21 0.06 -0.29 0.00 0.05 0.00 0.00 55.36 55.39 1se7 s GLN 45 Cb 0.18 -3.98 -0.01 0.00 1.10 0.00 0.00 33.01 30.31 1se7 s GLN 45 CO 0.02 -1.37 1.44 -2.14 -0.55 0.00 0.00 175.29 172.69 1se7 s PRO 46 N 4.01 3.88 0.33 1.67 0.02 -1.26 -4.87 135.00 138.78 1se7 s PRO 46 Ca 0.36 1.47 0.22 0.00 0.02 0.00 0.00 61.00 63.07 1se7 s PRO 46 Cb -0.10 -3.94 1.20 0.00 0.02 0.00 0.00 34.50 31.67 1se7 s PRO 46 CO 0.24 -1.17 1.67 -0.85 -0.33 0.00 0.00 177.00 176.57 1se7 n GLU 47 N 7.43 0.14 0.26 5.54 0.28 -1.26 -0.96 120.64 132.06 1se7 n GLU 47 Ca 0.16 0.64 0.15 0.00 -0.16 0.00 0.00 57.16 57.96 1se7 n GLU 47 Cb 0.46 -1.97 0.51 0.00 1.43 0.00 0.00 31.44 31.87 1se7 n GLU 47 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 1se7 h ASN 48 N 0.00 0.00 0.00 -1.84 4.21 -1.99 -2.95 115.58 113.01 1se7 h ASN 48 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1se7 h ASN 48 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1se7 h ASN 48 CO 0.00 0.00 -0.00 0.18 -1.29 0.00 0.00 177.43 176.32 1se7 n LEU 49 N -3.08 2.30 0.20 1.61 7.99 -0.14 -4.71 117.00 121.17 1se7 n LEU 49 Ca 0.02 -2.98 0.18 0.00 -0.01 0.00 0.00 56.01 53.22 1se7 n LEU 49 Cb 0.38 -0.39 0.79 0.00 -0.11 0.00 0.00 43.42 44.09 1se7 n LEU 49 CO 0.29 0.69 1.16 -0.09 -1.51 0.00 0.00 177.39 177.93 1se7 h ARG 50 N 0.00 0.00 -0.02 3.23 2.43 -1.34 0.47 114.38 119.15 1se7 h ARG 50 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 1se7 h ARG 50 Cb 0.96 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 1se7 h ARG 50 CO 0.00 0.00 -0.08 1.15 -1.51 0.00 0.00 179.97 179.53 1se7 h THR 51 N 0.00 1.48 0.46 0.20 2.02 -1.84 -3.10 112.91 112.13 1se7 h THR 51 Ca 0.11 -1.54 -0.02 0.00 0.77 0.00 0.00 66.41 65.72 1se7 h THR 51 Cb 0.84 2.45 0.00 0.00 -1.74 0.00 0.00 68.15 69.70 1se7 h THR 51 CO -0.00 0.41 -0.22 0.22 0.37 0.00 0.00 175.52 176.30 1se7 h TYR 52 N -0.49 -0.57 -1.00 3.16 3.20 -1.30 -2.18 116.97 117.79 1se7 h TYR 52 Ca -0.00 -0.01 0.31 0.00 3.14 0.00 0.00 58.73 62.16 1se7 h TYR 52 Cb 0.72 0.19 -0.15 0.00 1.54 0.00 0.00 36.73 39.03 1se7 h TYR 52 CO 0.14 -0.34 0.56 0.35 -1.64 0.00 0.00 178.16 177.23 1se7 h PHE 53 N -0.64 0.92 -0.14 -3.82 3.04 -1.46 0.57 116.94 115.40 1se7 h PHE 53 Ca -0.06 0.04 -0.16 0.00 3.98 0.00 0.00 57.97 61.77 1se7 h PHE 53 Cb 0.49 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.75 1se7 h PHE 53 CO -0.04 -0.15 -0.57 1.98 -2.02 0.00 0.00 178.31 177.51 1se7 h MET 54 N 0.35 0.45 0.07 1.11 4.05 -1.39 0.14 114.93 119.71 1se7 h MET 54 Ca 0.72 -0.29 -0.00 0.00 -0.28 0.00 0.00 59.70 59.84 1se7 h MET 54 Cb 1.60 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 32.44 1se7 h MET 54 CO -0.59 0.90 -0.03 0.93 0.23 0.00 0.00 176.91 178.34 1se7 h GLU 55 N 0.34 -0.08 -0.39 0.39 5.08 0.72 0.92 114.58 121.57 1se7 h GLU 55 Ca 0.00 0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 1se7 h GLU 55 Cb 1.10 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1se7 h GLU 55 CO 0.10 0.02 -0.26 -0.09 -1.00 0.00 0.00 179.01 177.78 1se7 h ARG 56 N -0.17 0.80 0.60 2.33 9.65 -1.20 -2.66 114.38 123.73 1se7 h ARG 56 Ca -0.01 -0.34 -0.02 0.00 -1.10 0.00 0.00 59.98 58.51 1se7 h ARG 56 Cb 0.14 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.68 1se7 h ARG 56 CO 0.01 0.97 -0.51 1.25 2.80 0.00 0.00 179.97 184.49 1se7 h LEU 57 N 0.69 -1.37 -1.18 3.80 5.85 -0.43 0.42 115.31 123.09 1se7 h LEU 57 Ca 0.09 0.10 0.16 0.00 0.84 0.00 0.00 57.88 59.07 1se7 h LEU 57 Cb 0.79 0.44 -0.08 0.00 0.37 0.00 0.00 40.66 42.17 1se7 h LEU 57 CO 0.06 -0.70 0.60 0.08 -0.34 0.00 0.00 178.44 178.14 1se7 h ARG 58 N -1.08 0.72 -0.02 1.25 0.11 -0.85 -0.31 114.38 114.20 1se7 h ARG 58 Ca -0.08 -0.04 -0.00 0.00 0.10 0.00 0.00 59.98 59.96 1se7 h ARG 58 Cb 0.91 -0.16 -0.00 0.00 1.11 0.00 0.00 29.97 31.83 1se7 h ARG 58 CO -0.02 0.48 0.01 1.25 0.10 0.00 0.00 179.97 181.79 1se7 h HIS 59 N 0.74 0.03 -0.94 4.08 2.76 -1.06 -2.66 115.15 118.12 1se7 h HIS 59 Ca 0.50 -0.00 0.24 0.00 -2.20 0.00 0.00 60.37 58.91 1se7 h HIS 59 Cb 0.78 -0.01 -0.06 0.00 1.55 0.00 0.00 27.41 29.67 1se7 h HIS 59 CO -0.00 0.24 0.64 1.88 -1.30 0.00 0.00 177.93 179.39 1se7 h TYR 60 N -0.18 0.35 -0.49 5.26 0.05 0.15 0.15 116.97 122.26 1se7 h TYR 60 Ca 0.01 0.01 -0.06 0.00 0.05 0.00 0.00 58.73 58.74 1se7 h TYR 60 Cb 0.22 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 1se7 h TYR 60 CO -0.00 0.07 0.08 -0.09 -1.05 0.00 0.00 178.16 177.17 1se7 h ARG 61 N 0.25 0.82 -0.96 4.88 2.43 -0.99 0.77 114.38 121.57 1se7 h ARG 61 Ca 0.48 -0.22 0.07 0.00 -0.81 0.00 0.00 59.98 59.50 1se7 h ARG 61 Cb 1.47 -0.10 -0.06 0.00 -0.42 0.00 0.00 29.97 30.86 1se7 h ARG 61 CO -0.13 0.81 0.62 1.96 -1.51 0.00 0.00 179.97 181.73 1se7 h GLN 62 N 0.69 1.07 0.00 0.20 4.20 -0.60 -0.20 115.11 120.47 1se7 h GLN 62 Ca 0.15 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1se7 h GLN 62 Cb 0.39 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1se7 h GLN 62 CO 0.01 0.71 -0.56 -0.07 -0.67 0.00 0.00 178.83 178.25 1se7 h LEU 63 N 1.10 0.00 -1.01 1.46 4.07 -1.09 -3.17 115.31 116.66 1se7 h LEU 63 Ca 0.42 -0.15 0.04 0.00 0.08 0.00 0.00 57.88 58.27 1se7 h LEU 63 Cb 0.20 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.88 1se7 h LEU 63 CO -0.17 0.07 0.66 0.77 -1.08 0.00 0.00 178.44 178.70 1se7 h SER 64 N 0.00 1.09 0.17 -0.43 4.64 0.24 1.21 113.55 120.47 1se7 h SER 64 Ca 0.00 -0.01 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 1se7 h SER 64 Cb 0.79 -0.24 0.03 0.00 -0.31 0.00 0.00 62.40 62.66 1se7 h SER 64 CO 0.00 0.73 -1.00 0.17 -0.87 0.00 0.00 176.83 175.86 1se7 h LEU 65 N 1.25 0.56 -0.50 5.97 8.10 -1.60 -3.35 115.31 125.75 1se7 h LEU 65 Ca 0.41 -0.94 -0.07 0.00 0.11 0.00 0.00 57.88 57.38 1se7 h LEU 65 Cb 0.04 -0.18 -0.02 0.00 -0.44 0.00 0.00 40.66 40.06 1se7 h LEU 65 CO -0.14 1.48 0.02 0.06 -4.11 0.00 0.00 178.44 175.75 1se7 h GLN 66 N -0.24 0.86 -6.24 0.17 -0.00 -1.46 -3.35 115.11 104.86 1se7 h GLN 66 Ca -0.18 -0.26 -0.48 0.00 -0.00 0.00 0.00 58.65 57.73 1se7 h GLN 66 Cb 1.78 -0.08 0.25 0.00 -0.00 0.00 0.00 27.48 29.43 1se7 h GLN 66 CO 0.18 0.89 -2.16 1.28 -0.00 0.00 0.00 178.83 179.02 1se7 n LEU 67 N -4.35 -2.78 0.00 0.06 7.99 0.41 -4.92 117.00 113.42 1se7 n LEU 67 Ca 0.01 -0.05 0.00 0.00 -0.01 0.00 0.00 56.01 55.96 1se7 n LEU 67 Cb 0.30 -0.66 0.00 0.00 -0.11 0.00 0.00 43.42 42.95 1se7 n LEU 67 CO 0.42 -2.70 0.00 -0.81 -1.51 0.00 0.00 177.39 172.79 1se7 n PRO 68 N 0.87 1.47 -0.88 3.23 -0.04 -1.26 -4.65 135.00 133.73 1se7 n PRO 68 Ca -0.01 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.10 1se7 n PRO 68 Cb 0.71 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.26 1se7 n PRO 68 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1se7 n LYS 69 N 0.00 -0.37 0.00 0.54 0.00 -1.26 -4.01 118.16 113.07 1se7 n LYS 69 Ca 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.22 1se7 n LYS 69 Cb 0.00 -1.36 0.00 0.00 -0.00 0.00 0.00 35.03 33.67 1se7 n LYS 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1se7 n GLY 70 N 2.68 3.10 2.66 2.58 0.00 -1.26 -4.43 105.19 110.52 1se7 n GLY 70 Ca 0.01 -1.03 -0.03 0.00 0.00 0.00 0.00 46.02 44.97 1se7 n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1se7 n SER 71 N 0.42 -1.17 -3.36 1.61 3.41 -1.26 -4.77 113.62 108.49 1se7 n SER 71 Ca 0.00 -0.67 -0.14 0.00 -0.26 0.00 0.00 58.87 57.80 1se7 n SER 71 Cb 0.00 0.59 -0.08 0.00 -0.26 0.00 0.00 64.21 64.46 1se7 n SER 71 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1se7 s ASP 72 N 0.99 1.10 0.04 4.04 -4.77 -1.26 -3.88 116.67 112.94 1se7 s ASP 72 Ca 0.23 -0.56 -0.09 0.00 -3.30 0.00 0.00 52.55 48.82 1se7 s ASP 72 Cb 0.15 0.77 -0.31 0.00 -1.09 0.00 0.00 42.92 42.43 1se7 s ASP 72 CO -0.11 -0.37 1.02 -0.65 0.70 0.00 0.00 175.17 175.76 1se7 h PRO 73 N 8.22 0.38 -0.92 2.11 0.11 -1.87 -3.33 132.00 136.70 1se7 h PRO 73 Ca -0.12 -0.66 -0.23 0.00 0.11 0.00 0.00 66.00 65.10 1se7 h PRO 73 Cb 1.10 0.24 -0.14 0.00 0.11 0.00 0.00 31.00 32.31 1se7 h PRO 73 CO 0.30 1.30 0.30 0.00 -0.21 0.00 0.00 178.00 179.69 1se7 n ALA 74 N -2.64 4.16 -1.00 -0.75 0.00 -1.26 -4.21 120.51 114.81 1se7 n ALA 74 Ca -0.14 -1.66 -0.02 0.00 0.00 0.00 0.00 53.44 51.62 1se7 n ALA 74 Cb 1.06 -1.23 0.34 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.27 2.37 -0.60 0.00 9.36 -1.25 -5.00 117.16 121.76 1se7 n TYR 75 Ca 0.32 -1.06 -0.31 0.00 3.32 0.00 0.00 57.90 60.18 1se7 n TYR 75 Cb 1.14 -0.64 0.20 0.00 -0.63 0.00 0.00 39.34 39.41 1se7 n TYR 75 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1se7 n GLN 76 N 0.10 -1.80 -4.78 2.98 10.64 -1.26 -4.57 117.38 118.68 1se7 n GLN 76 Ca 0.37 -0.50 -0.25 0.00 -1.83 0.00 0.00 57.00 54.80 1se7 n GLN 76 Cb 1.34 -1.93 -0.15 0.00 -0.86 0.00 0.00 30.24 28.64 1se7 n GLN 76 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 1se7 s LYS 77 N -3.89 1.38 0.00 2.61 -2.85 -1.10 -4.68 119.74 111.21 1se7 s LYS 77 Ca 0.62 -0.67 0.00 0.00 -1.00 0.00 0.00 55.97 54.91 1se7 s LYS 77 Cb -0.19 -1.36 0.00 0.00 -2.06 0.00 0.00 37.83 34.23 1se7 s LYS 77 CO 0.66 0.37 0.00 -0.25 0.10 0.00 0.00 175.35 176.22 1se7 n ASP 78 N 2.50 -4.77 -1.31 0.03 8.00 -1.26 -1.94 116.55 117.79 1se7 n ASP 78 Ca -0.15 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.18 1se7 n ASP 78 Cb 0.54 -3.19 -0.07 0.00 -0.02 0.00 0.00 41.12 38.38 1se7 n ASP 78 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1se7 n ASP 79 N -0.67 -5.35 -0.04 -2.24 8.00 -1.26 -4.84 116.55 110.15 1se7 n ASP 79 Ca 0.00 0.41 -0.03 0.00 0.71 0.00 0.00 54.79 55.88 1se7 n ASP 79 Cb 0.40 -4.45 -0.01 0.00 -0.02 0.00 0.00 41.12 37.04 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 1.22 0.34 -2.43 2.24 0.00 -0.82 -5.01 120.51 116.05 1se7 n ALA 80 Ca -0.17 -0.40 -0.29 0.00 0.00 0.00 0.00 53.44 52.58 1se7 n ALA 80 Cb 0.63 0.01 -0.13 0.00 0.00 0.00 0.00 19.45 19.96 1se7 n ALA 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1se7 s VAL 81 N -1.80 2.52 -0.08 0.00 0.11 -1.25 -5.03 120.40 114.86 1se7 s VAL 81 Ca -0.11 -1.57 -0.11 0.00 -2.93 0.00 0.00 61.98 57.26 1se7 s VAL 81 Cb 0.02 -2.11 -0.05 0.00 -1.53 0.00 0.00 36.38 32.71 1se7 s VAL 81 CO 0.16 0.15 0.27 -1.59 -3.33 0.00 0.00 175.10 170.76 1se7 s LYS 82 N -1.94 3.78 0.00 1.54 0.00 -1.26 -2.71 119.74 119.15 1se7 s LYS 82 Ca 0.15 0.11 0.00 0.00 0.00 0.00 0.00 55.97 56.23 1se7 s LYS 82 Cb -0.10 -3.25 0.00 0.00 0.00 0.00 0.00 37.83 34.48 1se7 s LYS 82 CO 0.07 0.64 0.00 1.17 0.00 0.00 0.00 175.35 177.23