#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n88 n LYS 2 N 0.00 3.12 0.00 2.12 5.02 -1.26 -4.56 118.16 122.60 1n88 n LYS 2 Ca 0.00 -3.15 0.00 0.00 -2.02 0.00 0.00 58.31 53.14 1n88 n LYS 2 Cb 0.00 -3.46 0.00 0.00 -0.02 0.00 0.00 35.03 31.55 1n88 n LYS 2 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1n88 n THR 3 N 6.18 0.00 -0.02 -0.18 -2.24 -1.26 -4.52 114.28 112.24 1n88 n THR 3 Ca 0.49 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 62.18 1n88 n THR 3 Cb 0.45 -0.05 -0.14 0.00 -2.10 0.00 0.00 70.33 68.49 1n88 n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n88 n ALA 4 N -2.78 1.46 -0.27 6.98 0.00 -1.26 -2.43 120.51 122.21 1n88 n ALA 4 Ca 0.00 -0.76 0.26 0.00 0.00 0.00 0.00 53.44 52.94 1n88 n ALA 4 Cb 0.00 -0.84 0.40 0.00 0.00 0.00 0.00 19.45 19.01 1n88 n ALA 4 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1n88 n TYR 5 N -3.07 0.00 0.24 0.00 4.11 -1.26 -3.75 117.16 113.42 1n88 n TYR 5 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.72 1n88 n TYR 5 Cb 1.05 -0.24 0.00 0.00 -0.00 0.00 0.00 39.34 40.15 1n88 n TYR 5 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 1n88 n ASP 6 N -2.91 -4.25 -0.03 9.48 -0.08 -1.26 -4.97 116.55 112.53 1n88 n ASP 6 Ca 0.22 0.91 -0.01 0.00 -1.51 0.00 0.00 54.79 54.40 1n88 n ASP 6 Cb 1.22 3.94 -0.01 0.00 2.34 0.00 0.00 41.12 48.61 1n88 n ASP 6 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1n88 h VAL 7 N 0.00 0.00 -3.51 5.18 2.07 -1.71 -3.32 116.25 114.95 1n88 h VAL 7 Ca 0.00 0.00 -0.69 0.00 0.82 0.00 0.00 66.70 66.83 1n88 h VAL 7 Cb 0.00 0.00 -0.35 0.00 -1.52 0.00 0.00 31.29 29.42 1n88 h VAL 7 CO 0.00 0.00 -0.56 -0.63 0.02 0.00 0.00 177.57 176.40 1n88 s ILE 8 N -3.27 3.18 0.00 4.57 1.01 -1.02 -3.54 121.20 122.13 1n88 s ILE 8 Ca -0.01 -2.19 0.00 0.00 0.00 0.00 0.00 60.65 58.44 1n88 s ILE 8 Cb 0.01 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.29 1n88 s ILE 8 CO 0.07 -0.70 0.00 0.18 0.00 0.00 0.00 174.94 174.49 1n88 n LEU 9 N 4.43 0.00 -4.91 2.97 4.77 -1.17 -4.20 117.00 118.89 1n88 n LEU 9 Ca -0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.69 1n88 n LEU 9 Cb 0.41 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 1n88 n LEU 9 CO 0.32 0.00 0.18 0.00 -1.33 0.00 0.00 177.39 176.56 1n88 s ALA 10 N -4.00 3.65 0.65 -1.18 0.00 -1.26 -4.92 121.76 114.70 1n88 s ALA 10 Ca 0.00 -0.61 -0.13 0.00 0.00 0.00 0.00 51.96 51.22 1n88 s ALA 10 Cb 0.00 -2.25 -0.01 0.00 0.00 0.00 0.00 23.12 20.85 1n88 s ALA 10 CO 0.00 0.25 1.05 -1.25 0.00 0.00 0.00 175.76 175.81 1n88 s PRO 11 N -3.57 3.17 -0.23 0.00 0.04 -1.26 -2.64 135.00 130.52 1n88 s PRO 11 Ca 0.43 1.00 -0.02 0.00 0.04 0.00 0.00 61.00 62.46 1n88 s PRO 11 Cb -0.11 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.43 1n88 s PRO 11 CO 0.30 -0.91 -0.08 0.54 0.04 0.00 0.00 177.00 176.89 1n88 s VAL 12 N -2.87 2.86 -0.43 -0.36 0.11 -1.17 -4.84 120.40 113.70 1n88 s VAL 12 Ca 0.59 -0.88 -0.13 0.00 -2.93 0.00 0.00 61.98 58.63 1n88 s VAL 12 Cb -0.14 -2.38 0.06 0.00 -1.53 0.00 0.00 36.38 32.39 1n88 s VAL 12 CO 0.48 0.31 0.32 -0.76 -3.33 0.00 0.00 175.10 172.12 1n88 s LEU 13 N 1.36 5.27 0.02 2.54 2.01 -1.26 -4.80 118.68 123.82 1n88 s LEU 13 Ca 0.02 -1.22 -0.07 0.00 0.01 0.00 0.00 54.13 52.88 1n88 s LEU 13 Cb -0.15 -2.11 -0.00 0.00 0.01 0.00 0.00 46.19 43.93 1n88 s LEU 13 CO -0.06 -0.54 0.13 -0.44 1.01 0.00 0.00 176.35 176.46 1n88 s SER 14 N 2.14 0.09 0.09 2.29 0.01 -1.26 -4.96 113.70 112.10 1n88 s SER 14 Ca 0.04 -0.37 -0.20 0.00 1.31 0.00 0.00 55.95 56.73 1n88 s SER 14 Cb -0.22 0.23 -0.06 0.00 0.21 0.00 0.00 66.02 66.18 1n88 s SER 14 CO 0.06 -0.46 1.34 -0.08 0.41 0.00 0.00 173.24 174.51 1n88 h GLU 15 N 3.87 -0.13 -0.31 12.44 4.81 -1.98 1.63 114.58 134.92 1n88 h GLU 15 Ca -0.32 0.01 0.09 0.00 -0.13 0.00 0.00 59.36 59.01 1n88 h GLU 15 Cb 1.19 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 1n88 h GLU 15 CO 0.46 -0.08 0.34 0.87 -0.73 0.00 0.00 179.01 179.86 1n88 h LYS 16 N -0.13 0.00 0.00 1.92 1.57 -1.97 -1.16 116.57 116.79 1n88 h LYS 16 Ca 0.07 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.76 1n88 h LYS 16 Cb 0.32 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1n88 h LYS 16 CO -0.47 0.00 -0.52 0.00 -0.57 0.00 0.00 179.45 177.89 1n88 h ALA 17 N 1.62 0.10 -0.57 3.86 0.00 0.44 -2.63 119.26 122.08 1n88 h ALA 17 Ca 0.15 -0.75 0.12 0.00 0.00 0.00 0.00 54.91 54.43 1n88 h ALA 17 Cb 0.83 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 1n88 h ALA 17 CO -0.00 0.30 0.39 1.88 0.00 0.00 0.00 179.25 181.82 1n88 h TYR 18 N -1.00 0.29 -0.00 0.00 0.05 0.25 2.19 116.97 118.75 1n88 h TYR 18 Ca -0.14 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.65 1n88 h TYR 18 Cb 1.03 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.67 1n88 h TYR 18 CO 0.16 0.13 -0.43 0.00 -1.05 0.00 0.00 178.16 176.97 1n88 n ALA 19 N -2.56 3.42 -0.08 3.88 0.00 -0.49 -2.81 120.51 121.87 1n88 n ALA 19 Ca 0.10 -0.37 -0.09 0.00 0.00 0.00 0.00 53.44 53.07 1n88 n ALA 19 Cb 0.45 -1.12 -0.10 0.00 0.00 0.00 0.00 19.45 18.68 1n88 n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n88 n GLY 20 N 1.45 -0.53 0.22 0.00 0.00 0.96 -4.36 105.19 102.93 1n88 n GLY 20 Ca 0.08 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.03 1n88 n GLY 20 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 173.32 173.59 1n88 h PHE 21 N 0.00 0.00 0.00 1.61 -0.00 0.33 -3.23 116.94 115.65 1n88 h PHE 21 Ca -0.40 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.57 1n88 h PHE 21 Cb 1.79 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.74 1n88 h PHE 21 CO 0.01 0.00 0.24 0.00 -0.00 0.00 0.00 178.31 178.56 1n88 h ALA 22 N 2.02 1.21 -0.41 12.09 0.00 -1.66 0.23 119.26 132.72 1n88 h ALA 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n88 h ALA 22 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1n88 h ALA 22 CO 0.00 -0.21 0.00 -1.91 0.00 0.00 0.00 179.25 177.13 1n88 n GLU 23 N -2.56 3.17 -0.22 0.00 4.07 -1.22 -4.82 120.64 119.07 1n88 n GLU 23 Ca -0.02 -2.00 0.00 0.00 -0.06 0.00 0.00 57.16 55.08 1n88 n GLU 23 Cb 0.28 -1.83 0.00 0.00 -0.06 0.00 0.00 31.44 29.83 1n88 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1n88 n GLY 24 N 0.67 0.67 3.76 8.31 0.00 0.76 -4.84 105.19 114.52 1n88 n GLY 24 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1n88 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n88 s LYS 25 N -0.73 4.70 -0.29 1.61 1.02 -0.96 -2.52 119.74 122.57 1n88 s LYS 25 Ca 0.00 1.31 0.00 0.00 0.02 0.00 0.00 55.97 57.31 1n88 s LYS 25 Cb 0.00 -3.28 0.09 0.00 -0.52 0.00 0.00 37.83 34.12 1n88 s LYS 25 CO 0.00 0.52 0.05 0.71 -0.92 0.00 0.00 175.35 175.71 1n88 s TYR 26 N -1.06 2.22 0.30 3.18 2.02 0.34 -3.96 117.35 120.39 1n88 s TYR 26 Ca 0.39 -1.93 -0.28 0.00 -0.37 0.00 0.00 57.07 54.87 1n88 s TYR 26 Cb -0.24 -1.88 -0.09 0.00 -0.40 0.00 0.00 41.96 39.34 1n88 s TYR 26 CO 0.29 -0.85 1.08 0.99 -1.57 0.00 0.00 175.55 175.49 1n88 s THR 27 N 1.44 3.57 0.19 -0.71 2.01 -1.19 0.20 115.64 121.15 1n88 s THR 27 Ca 0.06 1.50 0.02 0.00 0.31 0.00 0.00 61.69 63.58 1n88 s THR 27 Cb -0.18 -3.93 -0.05 0.00 0.01 0.00 0.00 72.50 68.36 1n88 s THR 27 CO -0.16 0.30 0.01 -0.36 -0.69 0.00 0.00 174.62 173.72 1n88 s PHE 28 N -1.26 1.30 -0.22 4.92 0.08 0.69 -3.04 117.98 120.45 1n88 s PHE 28 Ca 0.47 -1.02 -0.20 0.00 0.12 0.00 0.00 56.93 56.30 1n88 s PHE 28 Cb -0.30 -0.74 -0.02 0.00 -0.57 0.00 0.00 43.02 41.39 1n88 s PHE 28 CO 0.38 -0.20 0.61 -1.58 -0.10 0.00 0.00 175.22 174.33 1n88 s TRP 29 N -3.63 3.33 0.19 0.36 0.52 -1.08 0.13 118.94 118.77 1n88 s TRP 29 Ca 0.26 0.84 0.02 0.00 0.02 0.00 0.00 56.10 57.25 1n88 s TRP 29 Cb 0.06 -2.79 -0.05 0.00 -1.15 0.00 0.00 33.47 29.54 1n88 s TRP 29 CO 0.06 -0.23 0.01 0.54 0.02 0.00 0.00 176.95 177.35 1n88 s VAL 30 N 2.13 0.73 0.42 4.03 0.11 0.38 -3.02 120.40 125.17 1n88 s VAL 30 Ca 0.27 -1.99 -0.16 0.00 -2.93 0.00 0.00 61.98 57.16 1n88 s VAL 30 Cb -0.16 -2.22 -0.09 0.00 -1.53 0.00 0.00 36.38 32.39 1n88 s VAL 30 CO 0.09 -0.39 0.87 -2.28 -3.33 0.00 0.00 175.10 170.06 1n88 s HIS 31 N -3.63 3.40 -0.81 1.54 2.46 -1.25 -2.32 115.29 114.68 1n88 s HIS 31 Ca 0.26 1.35 -0.15 0.00 0.47 0.00 0.00 55.06 57.00 1n88 s HIS 31 Cb 0.06 -2.67 -0.11 0.00 -0.13 0.00 0.00 32.58 29.74 1n88 s HIS 31 CO 0.06 -0.14 1.98 -0.35 -2.47 0.00 0.00 174.74 173.82 1n88 n PRO 32 N -1.01 1.71 0.00 2.88 -0.04 -1.26 -2.40 135.00 134.89 1n88 n PRO 32 Ca 0.05 -1.65 0.00 0.00 -0.04 0.00 0.00 63.50 61.86 1n88 n PRO 32 Cb 0.54 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 1n88 n PRO 32 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1n88 n LYS 33 N 5.77 0.00 -1.52 0.54 -0.00 -1.26 -5.06 118.16 116.62 1n88 n LYS 33 Ca 0.46 0.00 -0.21 0.00 -0.00 0.00 0.00 58.31 58.57 1n88 n LYS 33 Cb 0.28 0.00 -0.16 0.00 -0.00 0.00 0.00 35.03 35.15 1n88 n LYS 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1n88 n ALA 34 N 0.00 0.77 -1.46 0.58 0.00 -1.01 -4.77 120.51 114.61 1n88 n ALA 34 Ca 0.00 -1.01 -0.54 0.00 0.00 0.00 0.00 53.44 51.89 1n88 n ALA 34 Cb 0.00 -2.76 -0.06 0.00 0.00 0.00 0.00 19.45 16.63 1n88 n ALA 34 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1n88 n THR 35 N 6.98 0.87 -0.32 0.00 -2.24 -1.26 -4.55 114.28 113.76 1n88 n THR 35 Ca 0.59 -0.22 0.20 0.00 -2.27 0.00 0.00 64.05 62.35 1n88 n THR 35 Cb 0.26 -0.03 0.39 0.00 -2.10 0.00 0.00 70.33 68.85 1n88 n THR 35 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1n88 h LYS 36 N 2.18 0.11 -0.53 -0.78 3.64 -1.98 0.90 116.57 120.10 1n88 h LYS 36 Ca -0.41 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.96 1n88 h LYS 36 Cb 1.43 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.20 1n88 h LYS 36 CO 0.62 0.07 0.30 1.15 -2.27 0.00 0.00 179.45 179.32 1n88 h THR 37 N 0.11 1.17 -0.99 1.00 2.02 -1.96 -2.16 112.91 112.10 1n88 h THR 37 Ca 0.67 -0.41 0.11 0.00 0.77 0.00 0.00 66.41 67.55 1n88 h THR 37 Cb 1.52 0.49 -0.08 0.00 -1.74 0.00 0.00 68.15 68.33 1n88 h THR 37 CO -0.76 0.18 0.63 -0.33 0.37 0.00 0.00 175.52 175.61 1n88 h GLU 38 N 0.71 0.97 -0.29 6.66 5.08 0.52 0.34 114.58 128.56 1n88 h GLU 38 Ca 0.19 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.56 1n88 h GLU 38 Cb 0.02 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 1n88 h GLU 38 CO -0.03 0.64 0.20 0.82 -1.00 0.00 0.00 179.01 179.64 1n88 h ILE 39 N 1.00 0.90 -0.21 3.13 2.04 -0.70 0.49 117.51 124.16 1n88 h ILE 39 Ca 0.48 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 66.30 1n88 h ILE 39 Cb 0.45 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1n88 h ILE 39 CO -0.24 0.01 0.11 0.50 0.00 0.00 0.00 178.15 178.54 1n88 h LYS 40 N 0.08 0.30 -0.07 2.37 3.64 -0.20 -2.72 116.57 119.97 1n88 h LYS 40 Ca 0.13 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.30 1n88 h LYS 40 Cb 0.42 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1n88 h LYS 40 CO -0.01 0.29 -0.72 -0.91 -2.27 0.00 0.00 179.45 175.82 1n88 h ASN 41 N 0.23 0.41 -0.06 4.20 2.35 -1.12 -2.83 115.58 118.77 1n88 h ASN 41 Ca 0.07 -0.27 0.01 0.00 -0.55 0.00 0.00 56.30 55.57 1n88 h ASN 41 Cb 0.08 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 1n88 h ASN 41 CO -0.01 1.00 -0.03 0.00 -1.65 0.00 0.00 177.43 176.74 1n88 h ALA 42 N 0.99 0.02 -0.34 -0.83 0.00 -0.76 0.42 119.26 118.75 1n88 h ALA 42 Ca -0.03 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1n88 h ALA 42 Cb 1.29 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1n88 h ALA 42 CO 0.12 -0.51 -0.27 -0.39 0.00 0.00 0.00 179.25 178.20 1n88 h VAL 43 N -0.03 1.28 -0.59 0.00 -1.51 -1.56 0.63 116.25 114.47 1n88 h VAL 43 Ca 0.04 -1.38 -0.04 0.00 -1.23 0.00 0.00 66.70 64.09 1n88 h VAL 43 Cb 0.08 1.30 -0.03 0.00 -2.13 0.00 0.00 31.29 30.52 1n88 h VAL 43 CO -0.08 0.45 0.23 -0.33 -1.23 0.00 0.00 177.57 176.61 1n88 h GLU 44 N 0.61 0.89 0.00 5.19 4.39 -1.18 2.16 114.58 126.64 1n88 h GLU 44 Ca 0.08 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 1n88 h GLU 44 Cb 0.77 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1n88 h GLU 44 CO 0.06 0.77 -0.04 1.15 -1.16 0.00 0.00 179.01 179.79 1n88 h THR 45 N 0.82 0.07 0.00 1.13 2.02 0.06 -2.03 112.91 114.98 1n88 h THR 45 Ca 0.20 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 66.31 1n88 h THR 45 Cb 0.22 2.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 1n88 h THR 45 CO -0.01 0.04 -0.29 0.00 0.37 0.00 0.00 175.52 175.63 1n88 n ALA 46 N -2.11 0.26 0.24 6.16 0.00 0.22 -4.60 120.51 120.68 1n88 n ALA 46 Ca 0.04 -0.41 0.13 0.00 0.00 0.00 0.00 53.44 53.20 1n88 n ALA 46 Cb 0.53 0.01 0.50 0.00 0.00 0.00 0.00 19.45 20.49 1n88 n ALA 46 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1n88 h PHE 47 N -0.29 0.00 -4.90 0.00 0.04 0.33 -3.47 116.94 108.65 1n88 h PHE 47 Ca 0.00 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.50 1n88 h PHE 47 Cb 0.29 0.00 0.13 0.00 2.20 0.00 0.00 35.95 38.57 1n88 h PHE 47 CO -0.12 0.10 -0.60 1.63 -0.60 0.00 0.00 178.31 178.72 1n88 n LYS 48 N -3.21 -5.52 0.00 1.51 5.02 0.18 -4.94 118.16 111.21 1n88 n LYS 48 Ca 0.01 0.67 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 1n88 n LYS 48 Cb 0.40 -5.19 0.00 0.00 -0.02 0.00 0.00 35.03 30.22 1n88 n LYS 48 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1n88 n VAL 49 N -3.71 0.00 -3.99 -0.18 3.14 -1.26 -5.02 118.33 107.32 1n88 n VAL 49 Ca -0.18 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 60.86 1n88 n VAL 49 Cb 0.62 0.00 -0.14 0.00 -1.06 0.00 0.00 33.84 33.25 1n88 n VAL 49 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1n88 s LYS 50 N 1.12 2.45 -0.21 1.45 2.36 -1.26 -4.70 119.74 120.95 1n88 s LYS 50 Ca 0.00 -1.23 -0.29 0.00 -2.55 0.00 0.00 55.97 51.90 1n88 s LYS 50 Cb 0.00 -3.00 0.00 0.00 -1.05 0.00 0.00 37.83 33.78 1n88 s LYS 50 CO 0.00 -0.54 1.12 0.08 1.55 0.00 0.00 175.35 177.56 1n88 s VAL 51 N 1.21 4.53 -0.84 4.02 1.01 -1.26 -3.32 120.40 125.74 1n88 s VAL 51 Ca -0.05 1.84 0.07 0.00 0.00 0.00 0.00 61.98 63.84 1n88 s VAL 51 Cb -0.19 -4.20 0.04 0.00 0.00 0.00 0.00 36.38 32.03 1n88 s VAL 51 CO -0.04 -0.18 0.67 0.55 0.00 0.00 0.00 175.10 176.10 1n88 n VAL 52 N 5.37 0.00 0.00 2.92 3.14 0.21 -4.89 118.33 125.08 1n88 n VAL 52 Ca 0.13 -0.48 0.00 0.00 -2.96 0.00 0.00 64.34 61.03 1n88 n VAL 52 Cb 0.46 1.13 0.00 0.00 -1.06 0.00 0.00 33.84 34.37 1n88 n VAL 52 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1n88 n LYS 53 N 0.20 0.00 -4.77 1.45 5.02 -1.18 -4.92 118.16 113.96 1n88 n LYS 53 Ca 0.04 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.00 1n88 n LYS 53 Cb 0.17 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.05 1n88 n LYS 53 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1n88 s VAL 54 N 0.00 3.12 -0.15 -0.18 1.01 -1.26 0.18 120.40 123.13 1n88 s VAL 54 Ca 0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.32 1n88 s VAL 54 Cb 0.00 -2.30 0.04 0.00 0.00 0.00 0.00 36.38 34.12 1n88 s VAL 54 CO 0.00 0.54 -0.03 0.20 0.00 0.00 0.00 175.10 175.81 1n88 s ASN 55 N 0.12 2.59 0.03 3.32 -0.87 0.79 -4.88 114.94 116.04 1n88 s ASN 55 Ca -0.06 -0.56 0.07 0.00 -1.57 0.00 0.00 52.86 50.74 1n88 s ASN 55 Cb -0.15 -0.78 -0.03 0.00 -0.02 0.00 0.00 41.25 40.27 1n88 s ASN 55 CO 0.05 -0.20 -0.18 0.28 -2.57 0.00 0.00 177.10 174.47 1n88 s THR 56 N 1.73 2.76 0.11 1.60 -1.32 -1.25 0.30 115.64 119.57 1n88 s THR 56 Ca 0.01 -1.16 0.01 0.00 -1.21 0.00 0.00 61.69 59.34 1n88 s THR 56 Cb -0.15 -2.15 -0.04 0.00 -1.51 0.00 0.00 72.50 68.65 1n88 s THR 56 CO -0.07 0.36 -0.02 -1.48 -2.21 0.00 0.00 174.62 171.20 1n88 s LEU 57 N -1.36 2.27 -0.05 9.08 2.34 0.39 -4.88 118.68 126.47 1n88 s LEU 57 Ca 0.14 -1.08 -0.30 0.00 0.06 0.00 0.00 54.13 52.95 1n88 s LEU 57 Cb -0.10 0.07 -0.02 0.00 -0.56 0.00 0.00 46.19 45.57 1n88 s LEU 57 CO 0.05 -0.57 1.03 -2.28 -1.06 0.00 0.00 176.35 173.52 1n88 s HIS 58 N -3.79 3.53 -0.16 3.48 2.46 -1.26 0.29 115.29 119.84 1n88 s HIS 58 Ca 0.16 1.57 0.01 0.00 0.47 0.00 0.00 55.06 57.27 1n88 s HIS 58 Cb 0.07 -3.21 0.01 0.00 -0.13 0.00 0.00 32.58 29.32 1n88 s HIS 58 CO -0.03 -0.35 -0.19 0.14 -2.47 0.00 0.00 174.74 171.84 1n88 s VAL 59 N 1.58 2.28 -0.06 0.89 -7.23 0.38 -4.90 120.40 113.34 1n88 s VAL 59 Ca 0.51 -0.89 -0.02 0.00 -1.81 0.00 0.00 61.98 59.78 1n88 s VAL 59 Cb -0.21 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.75 1n88 s VAL 59 CO 0.23 0.53 0.05 -0.13 -0.31 0.00 0.00 175.10 175.47 1n88 s ARG 60 N 0.99 3.06 0.00 4.82 3.00 -1.26 -2.80 118.95 126.75 1n88 s ARG 60 Ca -0.02 -0.41 0.00 0.00 0.00 0.00 0.00 55.73 55.29 1n88 s ARG 60 Cb -0.15 -2.86 0.00 0.00 0.00 0.00 0.00 34.95 31.94 1n88 s ARG 60 CO -0.05 0.69 0.00 0.41 0.00 0.00 0.00 175.30 176.35 1n88 n GLY 61 N 1.73 -0.86 2.02 -3.53 0.00 -1.26 -4.97 105.19 98.31 1n88 n GLY 61 Ca -0.17 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.33 1n88 n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n88 n LYS 62 N -0.30 0.00 0.00 1.61 5.02 -1.26 -4.98 118.16 118.25 1n88 n LYS 62 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1n88 n LYS 62 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1n88 n LYS 62 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1n88 n LYS 63 N -2.94 4.69 0.00 1.97 4.81 -1.26 -5.06 118.16 120.37 1n88 n LYS 63 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1n88 n LYS 63 Cb 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 35.03 34.58 1n88 n LYS 63 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1n88 n LYS 64 N -0.84 0.00 0.00 1.64 3.00 -1.26 -5.04 118.16 115.66 1n88 n LYS 64 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1n88 n LYS 64 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1n88 n LYS 64 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 1n88 n ARG 65 N -0.01 -0.31 -1.53 1.64 0.00 -1.26 -4.86 116.66 110.32 1n88 n ARG 65 Ca 0.00 -0.36 -0.58 0.00 -0.00 0.00 0.00 57.85 56.91 1n88 n ARG 65 Cb 0.00 -0.78 -0.08 0.00 -0.00 0.00 0.00 32.46 31.61 1n88 n ARG 65 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1n88 n LEU 66 N -0.03 0.34 -2.29 2.89 4.32 -1.26 -4.22 117.00 116.75 1n88 n LEU 66 Ca 0.00 1.15 -0.13 0.00 -0.02 0.00 0.00 56.01 57.02 1n88 n LEU 66 Cb 0.14 -0.96 -0.11 0.00 -1.62 0.00 0.00 43.42 40.86 1n88 n LEU 66 CO 0.00 -1.70 1.61 0.61 -1.22 0.00 0.00 177.39 176.70 1n88 n GLY 67 N 1.84 2.73 0.05 -0.72 0.00 -1.26 -3.70 105.19 104.13 1n88 n GLY 67 Ca 0.21 -0.98 0.02 0.00 0.00 0.00 0.00 46.02 45.27 1n88 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n88 n ARG 68 N 2.82 1.91 -2.72 1.61 5.12 -1.26 -4.83 116.66 119.31 1n88 n ARG 68 Ca 0.38 -1.48 -0.07 0.00 -1.93 0.00 0.00 57.85 54.75 1n88 n ARG 68 Cb 0.63 -0.97 0.06 0.00 -1.16 0.00 0.00 32.46 31.02 1n88 n ARG 68 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 1n88 n TYR 69 N -0.55 -2.29 -4.17 -1.55 9.36 -1.24 -4.95 117.16 111.77 1n88 n TYR 69 Ca 0.03 -1.38 -0.36 0.00 3.32 0.00 0.00 57.90 59.52 1n88 n TYR 69 Cb 0.40 1.40 -0.05 0.00 -0.63 0.00 0.00 39.34 40.46 1n88 n TYR 69 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 1n88 n LEU 70 N 1.52 -1.15 -4.80 2.98 0.00 -1.26 -4.88 117.00 109.41 1n88 n LEU 70 Ca 0.06 -0.95 -0.38 0.00 0.00 0.00 0.00 56.01 54.74 1n88 n LEU 70 Cb 0.66 -1.78 -0.06 0.00 0.00 0.00 0.00 43.42 42.24 1n88 n LEU 70 CO -0.02 0.17 0.34 -0.83 0.00 0.00 0.00 177.39 177.04 1n88 s GLY 71 N -3.12 2.71 -0.30 -3.96 0.00 -1.26 -5.05 107.32 96.35 1n88 s GLY 71 Ca 0.71 0.12 -0.06 0.00 0.00 0.00 0.00 44.72 45.49 1n88 s GLY 71 CO 0.87 0.55 0.80 0.54 0.00 0.00 0.00 173.10 175.86 1n88 s LYS 72 N -1.31 0.40 -0.63 2.90 1.02 -1.26 -4.64 119.74 116.22 1n88 s LYS 72 Ca 0.33 0.69 -0.35 0.00 0.02 0.00 0.00 55.97 56.66 1n88 s LYS 72 Cb -0.20 0.38 -0.17 0.00 -0.52 0.00 0.00 37.83 37.33 1n88 s LYS 72 CO 0.21 -0.45 2.38 0.54 -0.92 0.00 0.00 175.35 177.11 1n88 n ARG 73 N 5.44 0.41 0.00 1.68 1.74 -1.26 -4.89 116.66 119.79 1n88 n ARG 73 Ca -0.03 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1n88 n ARG 73 Cb 0.52 -1.99 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 1n88 n ARG 73 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1n88 n PRO 74 N 8.21 -0.19 -3.80 5.56 -0.04 -1.26 -4.83 135.00 138.64 1n88 n PRO 74 Ca 0.53 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.65 1n88 n PRO 74 Cb 0.13 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.48 1n88 n PRO 74 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1n88 s ASP 75 N -1.37 4.92 -0.04 3.54 -1.08 -1.26 -4.57 116.67 116.80 1n88 s ASP 75 Ca 0.00 -3.00 -0.01 0.00 -0.52 0.00 0.00 52.55 49.02 1n88 s ASP 75 Cb 0.00 -1.77 -0.04 0.00 -1.46 0.00 0.00 42.92 39.65 1n88 s ASP 75 CO 0.00 -0.30 0.04 -0.60 0.52 0.00 0.00 175.17 174.84 1n88 s ARG 76 N -0.27 3.01 -0.04 4.34 6.06 -1.12 -4.70 118.95 126.23 1n88 s ARG 76 Ca 0.18 -0.46 0.02 0.00 -2.50 0.00 0.00 55.73 52.96 1n88 s ARG 76 Cb -0.21 -2.82 -0.03 0.00 0.06 0.00 0.00 34.95 31.94 1n88 s ARG 76 CO -0.03 0.67 -0.06 0.21 -2.50 0.00 0.00 175.30 173.59 1n88 s LYS 77 N -1.39 2.70 0.14 5.12 2.20 -0.98 0.14 119.74 127.67 1n88 s LYS 77 Ca 0.19 -0.61 0.09 0.00 -0.36 0.00 0.00 55.97 55.28 1n88 s LYS 77 Cb -0.12 -2.58 -0.04 0.00 -1.51 0.00 0.00 37.83 33.58 1n88 s LYS 77 CO 0.09 0.64 -0.18 0.21 -0.36 0.00 0.00 175.35 175.75 1n88 s LYS 78 N -1.09 1.78 -0.11 4.03 2.20 0.15 0.14 119.74 126.84 1n88 s LYS 78 Ca 0.15 -1.25 0.01 0.00 -0.36 0.00 0.00 55.97 54.52 1n88 s LYS 78 Cb -0.11 -2.08 0.02 0.00 -1.51 0.00 0.00 37.83 34.15 1n88 s LYS 78 CO 0.04 0.46 -0.12 0.00 -0.36 0.00 0.00 175.35 175.37 1n88 s ALA 79 N -1.31 1.55 -0.37 3.13 0.00 0.12 -0.46 121.76 124.42 1n88 s ALA 79 Ca 0.19 -0.66 -0.12 0.00 0.00 0.00 0.00 51.96 51.38 1n88 s ALA 79 Cb -0.10 -0.86 0.02 0.00 0.00 0.00 0.00 23.12 22.17 1n88 s ALA 79 CO 0.11 -0.22 0.22 0.42 0.00 0.00 0.00 175.76 176.28 1n88 s ILE 80 N 1.27 4.75 -0.18 0.00 1.01 0.87 0.25 121.20 129.18 1n88 s ILE 80 Ca -0.02 -0.71 -0.07 0.00 0.00 0.00 0.00 60.65 59.85 1n88 s ILE 80 Cb -0.14 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 1n88 s ILE 80 CO -0.05 -0.19 0.05 -0.69 0.00 0.00 0.00 174.94 174.06 1n88 s VAL 81 N 1.60 4.69 0.06 2.92 1.01 0.13 0.28 120.40 131.10 1n88 s VAL 81 Ca 0.03 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1n88 s VAL 81 Cb -0.19 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 1n88 s VAL 81 CO 0.07 0.47 0.15 -1.58 0.00 0.00 0.00 175.10 174.21 1n88 s GLN 82 N 0.31 3.17 0.21 2.72 2.00 0.47 0.13 119.66 128.67 1n88 s GLN 82 Ca 0.03 -0.55 0.09 0.00 -2.00 0.00 0.00 55.36 52.92 1n88 s GLN 82 Cb -0.12 -2.89 -0.04 0.00 0.80 0.00 0.00 33.01 30.75 1n88 s GLN 82 CO 0.00 0.59 -0.03 0.14 -0.50 0.00 0.00 175.29 175.49 1n88 s VAL 83 N -1.44 3.44 1.30 1.34 -7.23 -1.05 0.66 120.40 117.42 1n88 s VAL 83 Ca 0.32 -1.69 -0.19 0.00 -1.81 0.00 0.00 61.98 58.61 1n88 s VAL 83 Cb -0.13 -2.76 0.33 0.00 0.56 0.00 0.00 36.38 34.38 1n88 s VAL 83 CO 0.25 -0.21 0.99 0.00 -0.31 0.00 0.00 175.10 175.81 1n88 s ALA 84 N -1.95 -0.45 -0.70 1.32 0.00 -1.21 -4.77 121.76 114.00 1n88 s ALA 84 Ca 0.28 -0.62 -0.07 0.00 0.00 0.00 0.00 51.96 51.56 1n88 s ALA 84 Cb -0.08 -3.03 -0.14 0.00 0.00 0.00 0.00 23.12 19.87 1n88 s ALA 84 CO 0.18 -4.19 2.81 -0.35 0.00 0.00 0.00 175.76 174.21 1n88 n PRO 85 N -5.26 2.36 0.00 0.00 -0.04 -1.26 -3.24 135.00 127.56 1n88 n PRO 85 Ca 0.09 -1.38 0.00 0.00 -0.04 0.00 0.00 63.50 62.17 1n88 n PRO 85 Cb 0.58 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 1n88 n PRO 85 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1n88 n GLY 86 N 3.16 0.22 3.74 0.55 0.00 -1.26 -5.14 105.19 106.45 1n88 n GLY 86 Ca 0.50 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 46.14 1n88 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n88 n GLN 87 N -1.21 0.70 -3.15 1.61 0.00 -1.20 -5.13 117.38 109.00 1n88 n GLN 87 Ca 0.00 -3.41 0.06 0.00 0.00 0.00 0.00 57.00 53.65 1n88 n GLN 87 Cb 0.00 0.41 -0.00 0.00 0.00 0.00 0.00 30.24 30.65 1n88 n GLN 87 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 1n88 s LYS 88 N -4.19 0.11 -0.46 2.61 -2.85 -1.26 -4.70 119.74 109.00 1n88 s LYS 88 Ca 0.28 0.11 -0.43 0.00 -1.00 0.00 0.00 55.97 54.93 1n88 s LYS 88 Cb -0.02 0.05 -0.18 0.00 -2.06 0.00 0.00 37.83 35.62 1n88 s LYS 88 CO 0.18 -0.20 1.98 -0.89 0.10 0.00 0.00 175.35 176.52 1n88 n ILE 89 N 5.09 0.06 0.67 3.79 5.41 -1.26 -4.76 119.36 128.36 1n88 n ILE 89 Ca 0.09 -0.04 0.13 0.00 1.00 0.00 0.00 62.75 63.93 1n88 n ILE 89 Cb 0.58 -0.73 0.46 0.00 -0.71 0.00 0.00 39.64 39.24 1n88 n ILE 89 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1n88 n GLU 90 N 6.54 0.18 0.03 0.38 0.28 -1.26 -3.57 120.64 123.22 1n88 n GLU 90 Ca 0.44 0.20 0.20 0.00 -0.16 0.00 0.00 57.16 57.84 1n88 n GLU 90 Cb 0.01 -1.73 0.72 0.00 1.43 0.00 0.00 31.44 31.87 1n88 n GLU 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1n88 h ALA 91 N 2.60 2.37 0.00 -1.84 0.00 -1.96 -1.83 119.26 118.59 1n88 h ALA 91 Ca 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1n88 h ALA 91 Cb 0.60 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1n88 h ALA 91 CO 0.00 -0.63 -1.77 1.28 0.00 0.00 0.00 179.25 178.13 1n88 n LEU 92 N -4.20 0.00 -0.25 0.00 4.77 -1.23 -4.31 117.00 111.77 1n88 n LEU 92 Ca 0.09 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.10 1n88 n LEU 92 Cb 0.59 0.11 0.27 0.00 -2.33 0.00 0.00 43.42 42.06 1n88 n LEU 92 CO 0.34 0.11 1.24 -0.33 -1.33 0.00 0.00 177.39 177.42 1n88 h GLU 93 N 0.00 0.93 -0.74 3.23 4.39 -1.40 -0.91 114.58 120.08 1n88 h GLU 93 Ca -0.12 -0.06 -0.25 0.00 0.34 0.00 0.00 59.36 59.28 1n88 h GLU 93 Cb 1.06 -0.21 -0.15 0.00 -0.10 0.00 0.00 28.75 29.35 1n88 h GLU 93 CO 0.01 0.61 0.29 0.41 -1.16 0.00 0.00 179.01 179.17 1n88 n GLY 94 N -1.42 3.85 0.00 -3.84 0.00 -1.08 -4.21 105.19 98.50 1n88 n GLY 94 Ca 0.11 -1.03 0.07 0.00 0.00 0.00 0.00 46.02 45.18 1n88 n GLY 94 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1n88 n LEU 95 N -0.35 0.33 0.00 0.99 7.94 -0.35 -5.10 117.00 120.47 1n88 n LEU 95 Ca 0.42 -0.24 0.03 0.00 -1.11 0.00 0.00 56.01 55.11 1n88 n LEU 95 Cb 1.39 0.00 0.17 0.00 0.53 0.00 0.00 43.42 45.52 1n88 n LEU 95 CO 0.44 0.08 0.41 -0.38 -1.11 0.00 0.00 177.39 176.83