#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n88 s LYS 2 N 0.00 3.90 0.00 3.17 3.01 -1.26 -4.62 119.74 123.93 1n88 s LYS 2 Ca 0.00 -2.40 0.00 0.00 -1.01 0.00 0.00 55.97 52.56 1n88 s LYS 2 Cb 0.00 -4.87 0.00 0.00 -1.01 0.00 0.00 37.83 31.95 1n88 s LYS 2 CO 0.00 -1.64 0.00 0.25 0.51 0.00 0.00 175.35 174.47 1n88 n THR 3 N 4.55 0.00 0.20 2.17 -2.24 -1.26 -4.59 114.28 113.11 1n88 n THR 3 Ca 0.28 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.15 1n88 n THR 3 Cb 0.45 -0.00 0.28 0.00 -2.10 0.00 0.00 70.33 68.95 1n88 n THR 3 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n88 h ALA 4 N 0.94 0.91 -3.00 6.98 0.00 -1.71 -2.44 119.26 120.94 1n88 h ALA 4 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1n88 h ALA 4 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1n88 h ALA 4 CO 0.00 0.26 0.00 2.48 0.00 0.00 0.00 179.25 181.99 1n88 n TYR 5 N -3.22 0.00 -0.21 0.00 4.11 -1.26 -1.50 117.16 115.08 1n88 n TYR 5 Ca 0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 57.90 57.89 1n88 n TYR 5 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.86 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 0.00 -0.43 0.00 9.48 -0.08 -1.26 -3.05 116.55 121.20 1n88 n ASP 6 Ca 0.00 0.93 0.00 0.00 -1.51 0.00 0.00 54.79 54.21 1n88 n ASP 6 Cb 0.00 -0.17 0.00 0.00 2.34 0.00 0.00 41.12 43.29 1n88 n ASP 6 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1n88 n VAL 7 N -4.73 0.00 -2.79 5.18 0.31 -1.26 -2.17 118.33 112.87 1n88 n VAL 7 Ca 0.04 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.94 1n88 n VAL 7 Cb 0.18 -0.68 -0.03 0.00 -0.91 0.00 0.00 33.84 32.40 1n88 n VAL 7 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1n88 s ILE 8 N 0.00 4.42 0.00 2.52 1.01 -0.92 -3.31 121.20 124.93 1n88 s ILE 8 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 60.65 59.43 1n88 s ILE 8 Cb 0.00 -4.87 0.00 0.00 0.01 0.00 0.00 42.46 37.60 1n88 s ILE 8 CO 0.00 -1.66 0.00 0.18 0.00 0.00 0.00 174.94 173.46 1n88 n LEU 9 N 7.43 0.00 -4.78 2.97 4.77 -0.35 -4.12 117.00 122.92 1n88 n LEU 9 Ca 0.26 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 56.01 1n88 n LEU 9 Cb 0.50 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.54 1n88 n LEU 9 CO 0.56 0.00 -0.18 0.00 -1.33 0.00 0.00 177.39 176.45 1n88 s ALA 10 N -3.28 3.56 0.79 -1.18 0.00 -1.26 -4.87 121.76 115.53 1n88 s ALA 10 Ca 0.00 -1.61 -0.11 0.00 0.00 0.00 0.00 51.96 50.24 1n88 s ALA 10 Cb 0.00 -1.06 0.06 0.00 0.00 0.00 0.00 23.12 22.13 1n88 s ALA 10 CO 0.00 0.15 1.09 -1.25 0.00 0.00 0.00 175.76 175.74 1n88 s PRO 11 N -3.85 2.16 -0.05 0.00 0.04 -1.26 -0.13 135.00 131.91 1n88 s PRO 11 Ca 0.36 0.76 0.04 0.00 0.04 0.00 0.00 61.00 62.20 1n88 s PRO 11 Cb -0.06 -1.92 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 1n88 s PRO 11 CO 0.24 -1.60 -0.16 0.14 0.04 0.00 0.00 177.00 175.66 1n88 s VAL 12 N -3.09 2.89 -0.37 -0.36 -7.23 -1.16 -4.68 120.40 106.40 1n88 s VAL 12 Ca 0.61 -0.78 -0.12 0.00 -1.81 0.00 0.00 61.98 59.87 1n88 s VAL 12 Cb -0.15 -2.12 0.02 0.00 0.56 0.00 0.00 36.38 34.69 1n88 s VAL 12 CO 0.55 0.59 0.23 -0.76 -0.31 0.00 0.00 175.10 175.39 1n88 s LEU 13 N -0.65 4.72 -0.08 1.32 2.01 -1.26 -4.87 118.68 119.87 1n88 s LEU 13 Ca 0.10 -0.84 -0.07 0.00 0.01 0.00 0.00 54.13 53.33 1n88 s LEU 13 Cb -0.11 -2.07 0.02 0.00 0.01 0.00 0.00 46.19 44.04 1n88 s LEU 13 CO 0.01 -0.36 0.20 -0.44 1.01 0.00 0.00 176.35 176.77 1n88 s SER 14 N 1.62 -0.21 0.16 2.29 0.01 -1.26 -5.02 113.70 111.28 1n88 s SER 14 Ca 0.04 0.41 -0.29 0.00 1.31 0.00 0.00 55.95 57.42 1n88 s SER 14 Cb -0.19 0.41 -0.03 0.00 0.21 0.00 0.00 66.02 66.43 1n88 s SER 14 CO 0.08 -0.07 1.55 -0.08 0.41 0.00 0.00 173.24 175.12 1n88 h GLU 15 N 5.89 -0.16 -0.84 12.44 4.22 -1.99 0.35 114.58 134.48 1n88 h GLU 15 Ca -0.26 0.01 0.10 0.00 0.08 0.00 0.00 59.36 59.29 1n88 h GLU 15 Cb 1.19 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.40 1n88 h GLU 15 CO 0.38 -0.11 0.48 -0.22 -2.18 0.00 0.00 179.01 177.36 1n88 h LYS 16 N -0.17 0.75 0.36 1.92 3.64 -1.97 -2.16 116.57 118.95 1n88 h LYS 16 Ca 0.16 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1n88 h LYS 16 Cb 0.52 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1n88 h LYS 16 CO -0.79 0.50 -0.20 0.00 -2.27 0.00 0.00 179.45 176.69 1n88 h ALA 17 N 1.48 -1.10 -1.45 5.00 0.00 -0.77 0.34 119.26 122.76 1n88 h ALA 17 Ca 0.41 -0.11 0.42 0.00 0.00 0.00 0.00 54.91 55.64 1n88 h ALA 17 Cb 0.42 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.40 1n88 h ALA 17 CO -0.27 -1.07 1.03 1.88 0.00 0.00 0.00 179.25 180.82 1n88 h TYR 18 N -0.52 0.10 -0.00 0.00 0.05 -0.90 2.75 116.97 118.45 1n88 h TYR 18 Ca -0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.73 1n88 h TYR 18 Cb 0.41 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.12 1n88 h TYR 18 CO 0.08 -0.02 -0.47 0.00 -1.05 0.00 0.00 178.16 176.70 1n88 n ALA 19 N -2.78 3.51 -0.05 3.88 0.00 -0.83 -3.19 120.51 121.06 1n88 n ALA 19 Ca 0.33 -0.38 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 1n88 n ALA 19 Cb 1.50 -1.10 -0.07 0.00 0.00 0.00 0.00 19.45 19.78 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 1.46 -0.39 0.18 0.00 0.00 0.72 -4.41 105.19 102.74 1n88 n GLY 20 Ca 0.07 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.04 1.61 -0.00 0.36 -3.14 116.94 115.73 1n88 h PHE 21 Ca -0.25 0.00 0.01 0.00 -0.00 0.00 0.00 57.97 57.73 1n88 h PHE 21 Cb 1.53 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 37.48 1n88 h PHE 21 CO 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 178.31 178.47 1n88 h ALA 22 N 2.22 1.30 -0.28 12.09 0.00 -1.69 0.73 119.26 133.63 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 0.69 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1n88 h ALA 22 CO 0.00 -0.18 0.00 -1.91 0.00 0.00 0.00 179.25 177.16 1n88 n GLU 23 N -3.18 2.48 -0.29 0.00 2.13 -1.19 -4.79 120.64 115.80 1n88 n GLU 23 Ca -0.02 -1.37 0.00 0.00 0.66 0.00 0.00 57.16 56.44 1n88 n GLU 23 Cb 0.23 -1.68 0.00 0.00 0.27 0.00 0.00 31.44 30.26 1n88 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1n88 n GLY 24 N 0.50 0.65 3.75 8.31 0.00 0.21 -4.76 105.19 113.86 1n88 n GLY 24 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.71 4.64 -0.26 1.61 1.02 -0.94 -2.63 119.74 122.47 1n88 s LYS 25 Ca 0.00 1.28 -0.00 0.00 0.02 0.00 0.00 55.97 57.27 1n88 s LYS 25 Cb 0.00 -3.32 0.08 0.00 -0.52 0.00 0.00 37.83 34.07 1n88 s LYS 25 CO 0.00 0.39 0.03 0.71 -0.92 0.00 0.00 175.35 175.56 1n88 s TYR 26 N -0.58 2.06 0.30 3.18 2.02 0.25 -3.94 117.35 120.64 1n88 s TYR 26 Ca 0.40 -1.72 -0.29 0.00 -0.37 0.00 0.00 57.07 55.10 1n88 s TYR 26 Cb -0.23 -1.67 -0.09 0.00 -0.40 0.00 0.00 41.96 39.56 1n88 s TYR 26 CO 0.28 -0.80 1.08 0.99 -1.57 0.00 0.00 175.55 175.53 1n88 s THR 27 N 1.50 3.56 0.22 -0.71 2.01 -1.18 -0.95 115.64 120.09 1n88 s THR 27 Ca 0.02 1.51 0.02 0.00 0.31 0.00 0.00 61.69 63.55 1n88 s THR 27 Cb -0.18 -3.93 -0.05 0.00 0.01 0.00 0.00 72.50 68.35 1n88 s THR 27 CO -0.13 0.31 0.02 -0.36 -0.69 0.00 0.00 174.62 173.77 1n88 s PHE 28 N -1.25 1.42 -0.25 4.92 0.08 0.26 -2.99 117.98 120.18 1n88 s PHE 28 Ca 0.46 -1.02 -0.12 0.00 0.12 0.00 0.00 56.93 56.37 1n88 s PHE 28 Cb -0.30 -0.82 -0.05 0.00 -0.57 0.00 0.00 43.02 41.28 1n88 s PHE 28 CO 0.38 -0.17 0.25 -1.58 -0.10 0.00 0.00 175.22 173.99 1n88 s TRP 29 N -3.59 3.29 0.08 0.36 0.23 0.81 -0.97 118.94 119.16 1n88 s TRP 29 Ca 0.29 0.30 -0.05 0.00 -2.03 0.00 0.00 56.10 54.61 1n88 s TRP 29 Cb 0.06 -2.39 -0.02 0.00 0.03 0.00 0.00 33.47 31.15 1n88 s TRP 29 CO 0.08 -0.05 0.10 0.54 0.96 0.00 0.00 176.95 178.58 1n88 s VAL 30 N 1.45 0.17 0.68 4.03 0.11 0.08 -1.21 120.40 125.71 1n88 s VAL 30 Ca 0.11 -1.47 -0.17 0.00 -2.93 0.00 0.00 61.98 57.52 1n88 s VAL 30 Cb -0.15 -1.46 0.01 0.00 -1.53 0.00 0.00 36.38 33.25 1n88 s VAL 30 CO 0.08 -0.77 1.24 -2.28 -3.33 0.00 0.00 175.10 170.03 1n88 s HIS 31 N -3.90 2.12 -0.96 1.54 2.46 -0.92 -3.55 115.29 112.08 1n88 s HIS 31 Ca 0.07 1.55 -0.19 0.00 0.47 0.00 0.00 55.06 56.95 1n88 s HIS 31 Cb 0.06 -3.55 -0.10 0.00 -0.13 0.00 0.00 32.58 28.86 1n88 s HIS 31 CO -0.10 -2.65 2.02 -0.35 -2.47 0.00 0.00 174.74 171.19 1n88 n PRO 32 N -2.24 1.89 0.00 2.88 -0.04 -1.26 -2.86 135.00 133.36 1n88 n PRO 32 Ca 0.14 -2.02 0.00 0.00 -0.04 0.00 0.00 63.50 61.58 1n88 n PRO 32 Cb 0.49 -2.99 0.00 0.00 -0.04 0.00 0.00 33.50 30.96 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 6.64 0.00 -1.51 0.54 -0.00 -1.26 -5.07 118.16 117.50 1n88 n LYS 33 Ca 0.50 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 58.55 1n88 n LYS 33 Cb 0.39 0.00 -0.18 0.00 -0.00 0.00 0.00 35.03 35.24 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 0.80 -1.46 0.58 0.00 -1.13 -4.75 120.51 114.54 1n88 n ALA 34 Ca 0.00 -0.77 -0.52 0.00 0.00 0.00 0.00 53.44 52.16 1n88 n ALA 34 Cb 0.00 -2.53 -0.05 0.00 0.00 0.00 0.00 19.45 16.87 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 6.58 1.21 -0.33 0.00 -2.24 -1.26 -4.48 114.28 113.76 1n88 n THR 35 Ca 0.63 -0.30 0.23 0.00 -2.27 0.00 0.00 64.05 62.33 1n88 n THR 35 Cb 0.17 -0.15 0.45 0.00 -2.10 0.00 0.00 70.33 68.70 1n88 n THR 35 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1n88 h LYS 36 N 2.00 0.22 -0.51 -0.78 1.57 -1.97 1.33 116.57 118.43 1n88 h LYS 36 Ca -0.38 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.27 1n88 h LYS 36 Cb 1.42 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.67 1n88 h LYS 36 CO 0.61 0.14 -0.15 1.15 -0.57 0.00 0.00 179.45 180.63 1n88 h THR 37 N 0.22 1.27 -0.98 -0.16 2.02 -1.95 -2.57 112.91 110.76 1n88 h THR 37 Ca 0.71 -1.31 0.10 0.00 0.77 0.00 0.00 66.41 66.68 1n88 h THR 37 Cb 1.64 1.05 -0.07 0.00 -1.74 0.00 0.00 68.15 69.02 1n88 h THR 37 CO -0.67 0.46 0.62 -0.33 0.37 0.00 0.00 175.52 175.98 1n88 h GLU 38 N 0.87 0.99 -0.59 6.66 5.08 0.14 0.34 114.58 128.07 1n88 h GLU 38 Ca 0.13 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.49 1n88 h GLU 38 Cb 0.73 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1n88 h GLU 38 CO 0.06 0.66 0.39 0.82 -1.00 0.00 0.00 179.01 179.94 1n88 h ILE 39 N 1.02 0.99 -0.29 3.13 2.04 -0.71 -0.03 117.51 123.67 1n88 h ILE 39 Ca 0.46 -0.19 0.03 0.00 1.00 0.00 0.00 64.86 66.15 1n88 h ILE 39 Cb 0.37 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 1n88 h ILE 39 CO -0.21 0.10 0.12 0.50 0.00 0.00 0.00 178.15 178.66 1n88 h LYS 40 N 0.57 0.25 -0.06 2.37 3.64 -0.21 -2.62 116.57 120.50 1n88 h LYS 40 Ca 0.25 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.43 1n88 h LYS 40 Cb 0.28 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1n88 h LYS 40 CO -0.07 0.17 -0.75 -0.91 -2.27 0.00 0.00 179.45 175.61 1n88 h ASN 41 N 0.26 0.46 -0.01 4.20 2.35 -1.11 -3.05 115.58 118.68 1n88 h ASN 41 Ca 0.13 -0.31 0.01 0.00 -0.55 0.00 0.00 56.30 55.58 1n88 h ASN 41 Cb 0.08 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1n88 h ASN 41 CO -0.11 1.05 -0.04 0.00 -1.65 0.00 0.00 177.43 176.68 1n88 h ALA 42 N 0.93 -0.03 -0.22 -0.83 0.00 -0.73 -1.15 119.26 117.23 1n88 h ALA 42 Ca -0.03 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1n88 h ALA 42 Cb 1.33 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1n88 h ALA 42 CO 0.13 -0.53 -0.13 -0.39 0.00 0.00 0.00 179.25 178.33 1n88 h VAL 43 N -0.06 1.21 -0.55 0.00 -1.51 -1.56 0.78 116.25 114.56 1n88 h VAL 43 Ca 0.02 -0.91 -0.00 0.00 -1.23 0.00 0.00 66.70 64.58 1n88 h VAL 43 Cb 0.09 1.18 -0.03 0.00 -2.13 0.00 0.00 31.29 30.41 1n88 h VAL 43 CO -0.05 0.29 0.34 -0.33 -1.23 0.00 0.00 177.57 176.59 1n88 h GLU 44 N 0.34 0.75 0.00 5.19 4.39 -1.28 2.14 114.58 126.11 1n88 h GLU 44 Ca 0.07 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1n88 h GLU 44 Cb 0.44 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1n88 h GLU 44 CO 0.03 0.53 0.00 1.15 -1.16 0.00 0.00 179.01 179.55 1n88 h THR 45 N 0.75 0.00 0.00 1.13 2.02 -0.80 -1.90 112.91 114.11 1n88 h THR 45 Ca 0.20 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1n88 h THR 45 Cb -0.03 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1n88 h THR 45 CO -0.04 0.00 -0.11 0.00 0.37 0.00 0.00 175.52 175.75 1n88 n ALA 46 N -1.82 0.49 0.23 6.16 0.00 0.23 -4.65 120.51 121.16 1n88 n ALA 46 Ca 0.05 -0.28 0.12 0.00 0.00 0.00 0.00 53.44 53.34 1n88 n ALA 46 Cb 0.42 0.01 0.42 0.00 0.00 0.00 0.00 19.45 20.30 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 -0.11 0.00 -4.68 0.00 0.04 0.32 -3.47 116.94 109.04 1n88 h PHE 47 Ca 0.00 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.51 1n88 h PHE 47 Cb 0.11 0.00 0.12 0.00 2.20 0.00 0.00 35.95 38.38 1n88 h PHE 47 CO -0.05 0.11 -0.55 1.17 -0.60 0.00 0.00 178.31 178.39 1n88 n LYS 48 N -3.19 -5.21 -0.43 1.51 4.81 -0.07 -4.96 118.16 110.63 1n88 n LYS 48 Ca 0.01 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 58.08 1n88 n LYS 48 Cb 0.44 -5.01 0.00 0.00 0.02 0.00 0.00 35.03 30.48 1n88 n LYS 48 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1n88 n VAL 49 N -3.62 0.00 -4.04 3.15 3.14 -1.26 -5.02 118.33 110.68 1n88 n VAL 49 Ca -0.15 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 60.90 1n88 n VAL 49 Cb 0.60 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 33.23 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 0.36 2.65 -0.14 1.45 2.36 -1.26 -4.65 119.74 120.51 1n88 s LYS 50 Ca 0.00 -1.08 -0.29 0.00 -2.55 0.00 0.00 55.97 52.05 1n88 s LYS 50 Cb 0.00 -2.84 -0.01 0.00 -1.05 0.00 0.00 37.83 33.93 1n88 s LYS 50 CO 0.00 -0.41 1.07 0.08 1.55 0.00 0.00 175.35 177.63 1n88 s VAL 51 N 1.23 4.63 -0.51 4.02 1.01 -1.26 -3.27 120.40 126.25 1n88 s VAL 51 Ca -0.02 1.93 0.06 0.00 0.00 0.00 0.00 61.98 63.95 1n88 s VAL 51 Cb -0.17 -4.24 0.17 0.00 0.00 0.00 0.00 36.38 32.13 1n88 s VAL 51 CO -0.07 -0.06 1.14 0.55 0.00 0.00 0.00 175.10 176.65 1n88 n VAL 52 N 4.86 0.99 0.00 2.92 3.14 0.74 -4.87 118.33 126.11 1n88 n VAL 52 Ca 0.10 -1.00 0.00 0.00 -2.96 0.00 0.00 64.34 60.49 1n88 n VAL 52 Cb 0.47 0.50 0.00 0.00 -1.06 0.00 0.00 33.84 33.76 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 0.06 0.00 -4.36 1.45 5.02 -1.19 -4.84 118.16 114.30 1n88 n LYS 53 Ca 0.06 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.02 1n88 n LYS 53 Cb 0.35 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.21 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 3.20 -0.18 -0.18 1.01 -1.25 0.20 120.40 123.19 1n88 s VAL 54 Ca 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1n88 s VAL 54 Cb 0.00 -2.39 0.04 0.00 0.00 0.00 0.00 36.38 34.03 1n88 s VAL 54 CO 0.00 0.48 -0.10 0.21 0.00 0.00 0.00 175.10 175.69 1n88 s ASN 55 N 0.84 3.19 0.13 3.32 3.84 0.79 -4.86 114.94 122.19 1n88 s ASN 55 Ca -0.03 -0.79 0.11 0.00 0.21 0.00 0.00 52.86 52.36 1n88 s ASN 55 Cb -0.15 -1.17 -0.04 0.00 -0.55 0.00 0.00 41.25 39.34 1n88 s ASN 55 CO 0.01 -0.14 -0.25 0.28 -2.79 0.00 0.00 177.10 174.21 1n88 s THR 56 N 1.45 2.39 -0.04 -5.21 -1.32 -1.25 0.28 115.64 111.94 1n88 s THR 56 Ca 0.00 -1.74 -0.10 0.00 -1.21 0.00 0.00 61.69 58.65 1n88 s THR 56 Cb -0.15 -2.08 0.02 0.00 -1.51 0.00 0.00 72.50 68.77 1n88 s THR 56 CO -0.08 0.07 0.23 -1.48 -2.21 0.00 0.00 174.62 171.14 1n88 s LEU 57 N -2.14 1.16 0.14 9.08 0.05 -0.31 -4.92 118.68 121.74 1n88 s LEU 57 Ca 0.16 0.19 -0.30 0.00 0.05 0.00 0.00 54.13 54.22 1n88 s LEU 57 Cb -0.10 0.90 -0.07 0.00 -2.05 0.00 0.00 46.19 44.86 1n88 s LEU 57 CO 0.07 -0.26 1.25 -2.28 -0.55 0.00 0.00 176.35 174.58 1n88 s HIS 58 N -0.68 3.38 -0.13 3.48 5.65 -1.26 -1.85 115.29 123.88 1n88 s HIS 58 Ca -0.08 1.27 0.03 0.00 0.25 0.00 0.00 55.06 56.54 1n88 s HIS 58 Cb -0.04 -3.49 0.01 0.00 -1.18 0.00 0.00 32.58 27.87 1n88 s HIS 58 CO 0.02 -1.52 -0.22 0.14 -0.65 0.00 0.00 174.74 172.50 1n88 s VAL 59 N 0.52 2.04 -0.03 0.89 -7.23 0.74 -4.96 120.40 112.37 1n88 s VAL 59 Ca 0.57 -0.97 0.02 0.00 -1.81 0.00 0.00 61.98 59.79 1n88 s VAL 59 Cb -0.33 -1.80 0.01 0.00 0.56 0.00 0.00 36.38 34.82 1n88 s VAL 59 CO 0.33 0.55 -0.08 -0.13 -0.31 0.00 0.00 175.10 175.46 1n88 s ARG 60 N 0.74 0.95 1.02 4.82 3.00 -1.26 -3.51 118.95 124.72 1n88 s ARG 60 Ca -0.09 -0.25 -0.21 0.00 0.00 0.00 0.00 55.73 55.18 1n88 s ARG 60 Cb -0.16 -0.89 -0.08 0.00 0.00 0.00 0.00 34.95 33.82 1n88 s ARG 60 CO -0.00 0.05 -0.74 0.41 0.00 0.00 0.00 175.30 175.02 1n88 n GLY 61 N 3.51 -3.17 1.96 -3.53 0.00 -1.26 -4.96 105.19 97.75 1n88 n GLY 61 Ca -0.20 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.29 1n88 n GLY 61 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1n88 n LYS 62 N 0.86 0.00 0.09 1.61 4.81 -1.26 -4.88 118.16 119.39 1n88 n LYS 62 Ca -0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.37 1n88 n LYS 62 Cb 0.65 -0.02 0.01 0.00 0.02 0.00 0.00 35.03 35.69 1n88 n LYS 62 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1n88 h LYS 63 N 0.00 0.10 -1.02 1.64 1.57 -2.03 -3.20 116.57 113.63 1n88 h LYS 63 Ca 0.00 -0.11 0.30 0.00 -1.87 0.00 0.00 60.65 58.97 1n88 h LYS 63 Cb 0.02 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 1n88 h LYS 63 CO 0.00 0.88 1.06 -0.22 -0.57 0.00 0.00 179.45 180.60 1n88 h LYS 64 N 0.05 0.00 0.00 3.15 3.64 -1.99 2.09 116.57 123.51 1n88 h LYS 64 Ca -0.03 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1n88 h LYS 64 Cb 1.48 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.30 1n88 h LYS 64 CO 0.12 0.00 0.00 -0.09 -2.27 0.00 0.00 179.45 177.21 1n88 h ARG 65 N 0.00 0.00 -6.16 1.90 2.43 -1.85 -3.46 114.38 107.25 1n88 h ARG 65 Ca 0.48 0.00 -0.43 0.00 -0.81 0.00 0.00 59.98 59.23 1n88 h ARG 65 Cb 2.60 0.00 0.05 0.00 -0.42 0.00 0.00 29.97 32.20 1n88 h ARG 65 CO -0.01 0.00 -0.87 -0.11 -1.51 0.00 0.00 179.97 177.47 1n88 n LEU 66 N -3.07 -3.05 -4.44 3.80 -0.00 0.71 -1.11 117.00 109.84 1n88 n LEU 66 Ca 0.02 -0.90 -0.39 0.00 -0.00 0.00 0.00 56.01 54.74 1n88 n LEU 66 Cb 0.38 -2.55 -0.08 0.00 -0.00 0.00 0.00 43.42 41.18 1n88 n LEU 66 CO 0.29 0.41 -0.22 0.61 -0.00 0.00 0.00 177.39 178.48 1n88 n GLY 67 N -1.66 -0.33 3.81 -3.96 0.00 -1.26 -4.85 105.19 96.94 1n88 n GLY 67 Ca -0.24 0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 1n88 n GLY 67 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1n88 s ARG 68 N -7.23 2.16 -0.85 1.61 1.70 -0.27 -5.09 118.95 110.99 1n88 s ARG 68 Ca 0.60 -1.37 -0.20 0.00 -0.47 0.00 0.00 55.73 54.30 1n88 s ARG 68 Cb -0.35 0.62 0.12 0.00 -0.57 0.00 0.00 34.95 34.77 1n88 s ARG 68 CO 1.01 -1.01 1.07 -0.47 -1.08 0.00 0.00 175.30 174.81 1n88 s TYR 69 N -2.57 3.01 -0.28 5.89 5.04 -1.26 -4.76 117.35 122.43 1n88 s TYR 69 Ca 0.15 -1.18 0.15 0.00 -2.44 0.00 0.00 57.07 53.75 1n88 s TYR 69 Cb -0.05 -4.27 0.48 0.00 0.35 0.00 0.00 41.96 38.47 1n88 s TYR 69 CO 0.11 -1.51 1.14 -0.11 -1.34 0.00 0.00 175.55 173.84 1n88 n LEU 70 N 6.79 3.19 0.00 6.97 7.94 -1.26 -5.08 117.00 135.54 1n88 n LEU 70 Ca 0.16 -3.88 0.00 0.00 -1.11 0.00 0.00 56.01 51.18 1n88 n LEU 70 Cb 0.48 0.08 0.00 0.00 0.53 0.00 0.00 43.42 44.51 1n88 n LEU 70 CO 0.54 1.56 0.00 0.61 -1.11 0.00 0.00 177.39 178.99 1n88 n GLY 71 N -0.64 0.51 3.15 -3.96 0.00 -1.26 -4.84 105.19 98.14 1n88 n GLY 71 Ca 0.25 -1.73 -0.12 0.00 0.00 0.00 0.00 46.02 44.43 1n88 n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n88 s LYS 72 N -2.00 0.28 -0.60 1.61 1.02 -1.26 -5.08 119.74 113.71 1n88 s LYS 72 Ca 0.00 0.66 -0.37 0.00 0.02 0.00 0.00 55.97 56.28 1n88 s LYS 72 Cb 0.00 -0.07 -0.17 0.00 -0.52 0.00 0.00 37.83 37.07 1n88 s LYS 72 CO 0.00 -0.17 2.33 0.54 -0.92 0.00 0.00 175.35 177.13 1n88 n ARG 73 N 4.32 0.31 0.00 1.68 1.74 -1.26 -4.89 116.66 118.56 1n88 n ARG 73 Ca -0.23 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 1n88 n ARG 73 Cb 0.54 -1.85 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 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 8.04 -0.18 -3.81 5.56 -0.04 -1.26 -5.01 135.00 138.30 1n88 n PRO 74 Ca 0.54 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.66 1n88 n PRO 74 Cb 0.08 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.43 1n88 n PRO 74 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1n88 s ASP 75 N -1.30 4.87 -0.32 3.54 1.11 -1.26 -4.84 116.67 118.47 1n88 s ASP 75 Ca 0.00 -3.00 -0.08 0.00 0.18 0.00 0.00 52.55 49.65 1n88 s ASP 75 Cb 0.00 -1.76 0.02 0.00 1.07 0.00 0.00 42.92 42.24 1n88 s ASP 75 CO 0.00 -0.29 0.12 -0.60 1.18 0.00 0.00 175.17 175.58 1n88 s ARG 76 N -0.27 2.95 -0.15 8.23 6.06 -1.23 -4.64 118.95 129.90 1n88 s ARG 76 Ca 0.18 -0.96 -0.03 0.00 -2.50 0.00 0.00 55.73 52.41 1n88 s ARG 76 Cb -0.22 -3.49 -0.02 0.00 0.06 0.00 0.00 34.95 31.29 1n88 s ARG 76 CO -0.03 -0.54 -0.05 0.21 -2.50 0.00 0.00 175.30 172.39 1n88 s LYS 77 N 1.50 3.61 0.14 5.12 2.20 -1.23 0.26 119.74 131.33 1n88 s LYS 77 Ca 0.02 -0.55 0.08 0.00 -0.36 0.00 0.00 55.97 55.16 1n88 s LYS 77 Cb -0.18 -2.87 -0.04 0.00 -1.51 0.00 0.00 37.83 33.22 1n88 s LYS 77 CO 0.04 0.21 -0.13 -1.59 -0.36 0.00 0.00 175.35 173.52 1n88 s LYS 78 N 0.42 1.98 -0.12 4.03 -2.85 -0.77 -0.74 119.74 121.68 1n88 s LYS 78 Ca -0.05 -1.17 0.02 0.00 -1.00 0.00 0.00 55.97 53.78 1n88 s LYS 78 Cb -0.15 -2.18 0.01 0.00 -2.06 0.00 0.00 37.83 33.45 1n88 s LYS 78 CO 0.03 0.47 -0.19 0.00 0.10 0.00 0.00 175.35 175.76 1n88 s ALA 79 N -1.36 2.00 -0.37 0.59 0.00 -0.14 -1.16 121.76 121.33 1n88 s ALA 79 Ca 0.21 -0.93 -0.11 0.00 0.00 0.00 0.00 51.96 51.14 1n88 s ALA 79 Cb -0.10 -0.91 0.02 0.00 0.00 0.00 0.00 23.12 22.14 1n88 s ALA 79 CO 0.13 -0.02 0.20 0.42 0.00 0.00 0.00 175.76 176.50 1n88 s ILE 80 N 0.84 4.61 -0.14 0.00 1.01 0.82 0.90 121.20 129.23 1n88 s ILE 80 Ca -0.08 -0.79 -0.06 0.00 0.00 0.00 0.00 60.65 59.72 1n88 s ILE 80 Cb -0.15 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 1n88 s ILE 80 CO -0.01 -0.20 0.05 -0.69 0.00 0.00 0.00 174.94 174.10 1n88 s VAL 81 N 1.57 4.73 0.08 2.92 1.01 -0.13 0.28 120.40 130.86 1n88 s VAL 81 Ca 0.02 -0.07 0.02 0.00 0.00 0.00 0.00 61.98 61.95 1n88 s VAL 81 Cb -0.19 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.07 1n88 s VAL 81 CO 0.07 0.53 0.16 -1.58 0.00 0.00 0.00 175.10 174.28 1n88 s GLN 82 N -0.23 3.19 0.22 2.72 2.00 0.53 0.85 119.66 128.93 1n88 s GLN 82 Ca 0.08 -0.58 0.10 0.00 -2.00 0.00 0.00 55.36 52.96 1n88 s GLN 82 Cb -0.12 -2.89 -0.04 0.00 0.80 0.00 0.00 33.01 30.76 1n88 s GLN 82 CO 0.02 0.58 -0.10 0.14 -0.50 0.00 0.00 175.29 175.43 1n88 s VAL 83 N -1.50 3.09 1.27 1.34 -7.23 -1.08 0.26 120.40 116.55 1n88 s VAL 83 Ca 0.32 -1.87 -0.21 0.00 -1.81 0.00 0.00 61.98 58.41 1n88 s VAL 83 Cb -0.12 -2.57 0.32 0.00 0.56 0.00 0.00 36.38 34.56 1n88 s VAL 83 CO 0.25 -0.23 1.03 0.00 -0.31 0.00 0.00 175.10 175.85 1n88 n ALA 84 N -0.30 -3.80 -1.79 1.32 0.00 -1.20 -4.75 120.51 109.99 1n88 n ALA 84 Ca -0.09 -1.59 -0.40 0.00 0.00 0.00 0.00 53.44 51.35 1n88 n ALA 84 Cb 0.57 -0.12 -0.04 0.00 0.00 0.00 0.00 19.45 19.86 1n88 n ALA 84 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1n88 s PRO 85 N -5.37 4.59 0.00 0.00 0.04 -1.26 -3.62 135.00 129.38 1n88 s PRO 85 Ca 0.69 1.87 0.00 0.00 0.04 0.00 0.00 61.00 63.60 1n88 s PRO 85 Cb -0.08 -3.18 0.00 0.00 0.04 0.00 0.00 34.50 31.28 1n88 s PRO 85 CO 0.54 0.13 0.00 0.41 0.04 0.00 0.00 177.00 178.12 1n88 n GLY 86 N 1.23 3.15 4.00 0.56 0.00 -1.26 -5.05 105.19 107.83 1n88 n GLY 86 Ca -0.00 -0.89 -0.22 0.00 0.00 0.00 0.00 46.02 44.91 1n88 n GLY 86 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1n88 s GLN 87 N 0.00 1.94 0.00 1.61 0.00 -1.24 -5.10 119.66 116.87 1n88 s GLN 87 Ca 0.00 -1.20 0.00 0.00 -0.00 0.00 0.00 55.36 54.16 1n88 s GLN 87 Cb 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 33.01 30.58 1n88 s GLN 87 CO 0.00 -1.21 0.00 0.36 0.00 0.00 0.00 175.29 174.44 1n88 n LYS 88 N -2.62 0.00 -1.36 9.60 2.85 -1.26 -4.85 118.16 120.52 1n88 n LYS 88 Ca 0.14 0.00 -0.53 0.00 -1.05 0.00 0.00 58.31 56.87 1n88 n LYS 88 Cb 0.61 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.88 1n88 n LYS 88 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1n88 n ILE 89 N 0.00 0.05 0.59 0.58 5.41 -1.26 -4.74 119.36 119.99 1n88 n ILE 89 Ca 0.00 -0.11 0.12 0.00 1.00 0.00 0.00 62.75 63.76 1n88 n ILE 89 Cb 0.00 -0.95 0.45 0.00 -0.71 0.00 0.00 39.64 38.44 1n88 n ILE 89 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1n88 n GLU 90 N 7.93 0.18 -0.05 0.38 -0.58 -1.26 -3.38 120.64 123.86 1n88 n GLU 90 Ca 0.52 0.26 0.18 0.00 -0.42 0.00 0.00 57.16 57.70 1n88 n GLU 90 Cb 0.08 -1.76 0.63 0.00 -0.57 0.00 0.00 31.44 29.82 1n88 n GLU 90 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1n88 h ALA 91 N 2.50 2.36 0.00 0.62 0.00 -1.96 -2.29 119.26 120.48 1n88 h ALA 91 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1n88 h ALA 91 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1n88 h ALA 91 CO 0.00 -0.52 -1.77 1.28 0.00 0.00 0.00 179.25 178.25 1n88 n LEU 92 N -4.41 0.00 -0.27 0.00 4.77 -1.22 -4.09 117.00 111.77 1n88 n LEU 92 Ca 0.11 0.00 0.21 0.00 -0.03 0.00 0.00 56.01 56.30 1n88 n LEU 92 Cb 0.56 0.10 0.52 0.00 -2.33 0.00 0.00 43.42 42.27 1n88 n LEU 92 CO 0.36 0.10 1.23 -0.33 -1.33 0.00 0.00 177.39 177.42 1n88 h GLU 93 N 0.00 0.38 0.00 3.23 4.39 -1.42 -0.07 114.58 121.09 1n88 h GLU 93 Ca -0.11 -0.02 -0.14 0.00 0.34 0.00 0.00 59.36 59.42 1n88 h GLU 93 Cb 1.04 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.58 1n88 h GLU 93 CO 0.01 0.25 -1.71 0.41 -1.16 0.00 0.00 179.01 176.81 1n88 n GLY 94 N -1.51 -1.14 0.56 -3.84 0.00 -1.20 -4.17 105.19 93.90 1n88 n GLY 94 Ca 0.22 -0.29 0.35 0.00 0.00 0.00 0.00 46.02 46.30 1n88 n GLY 94 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1n88 h LEU 95 N 0.00 0.00 0.00 0.99 4.07 -1.15 -3.53 115.31 115.69 1n88 h LEU 95 Ca -0.17 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.79 1n88 h LEU 95 Cb 1.47 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.21 1n88 h LEU 95 CO 0.02 0.00 0.00 -0.38 -1.08 0.00 0.00 178.44 177.00