#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 3.86 0.00 3.17 1.02 -1.26 -4.61 119.74 121.93 1n88 s LYS 2 Ca 0.00 -2.25 0.00 0.00 0.02 0.00 0.00 55.97 53.74 1n88 s LYS 2 Cb 0.00 -4.96 0.00 0.00 -0.52 0.00 0.00 37.83 32.35 1n88 s LYS 2 CO 0.00 -1.73 0.00 0.25 -0.92 0.00 0.00 175.35 172.95 1n88 n THR 3 N 4.90 0.00 0.22 2.17 -2.24 -1.26 -4.59 114.28 113.48 1n88 n THR 3 Ca 0.30 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.19 1n88 n THR 3 Cb 0.46 -0.01 0.24 0.00 -2.10 0.00 0.00 70.33 68.92 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 0.86 0.96 -3.00 6.98 0.00 -1.82 -3.37 119.26 119.87 1n88 h ALA 4 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1n88 h ALA 4 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1n88 h ALA 4 CO 0.00 0.09 0.00 2.48 0.00 0.00 0.00 179.25 181.82 1n88 n TYR 5 N -3.13 0.00 -0.22 0.00 4.11 -1.26 -4.39 117.16 112.27 1n88 n TYR 5 Ca 0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 57.90 57.90 1n88 n TYR 5 Cb 0.52 0.00 -0.01 0.00 -0.00 0.00 0.00 39.34 39.85 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 -0.45 -4.41 9.48 2.03 -1.26 -4.36 116.55 117.58 1n88 n ASP 6 Ca 0.00 0.98 -0.30 0.00 0.52 0.00 0.00 54.79 55.98 1n88 n ASP 6 Cb 0.00 -0.19 0.21 0.00 -0.72 0.00 0.00 41.12 40.42 1n88 n ASP 6 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1n88 n VAL 7 N -4.77 0.00 -0.38 5.18 0.31 -1.26 -4.14 118.33 113.27 1n88 n VAL 7 Ca 0.04 -0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1n88 n VAL 7 Cb 0.19 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.30 1n88 n VAL 7 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1n88 n ILE 8 N -4.60 0.00 0.00 2.52 5.41 -1.25 -4.64 119.36 116.80 1n88 n ILE 8 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1n88 n ILE 8 Cb 0.57 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.50 1n88 n ILE 8 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1n88 n LEU 9 N 0.20 0.00 -4.75 1.39 4.77 0.60 -4.70 117.00 114.50 1n88 n LEU 9 Ca 0.00 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.75 1n88 n LEU 9 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 1n88 n LEU 9 CO 0.00 0.00 -0.24 0.00 -1.33 0.00 0.00 177.39 175.82 1n88 s ALA 10 N -2.83 3.42 0.76 -1.18 0.00 -1.26 -4.80 121.76 115.86 1n88 s ALA 10 Ca 0.00 -1.45 -0.11 0.00 0.00 0.00 0.00 51.96 50.41 1n88 s ALA 10 Cb 0.00 -1.13 0.05 0.00 0.00 0.00 0.00 23.12 22.04 1n88 s ALA 10 CO 0.00 0.32 1.08 -1.25 0.00 0.00 0.00 175.76 175.91 1n88 s PRO 11 N -3.57 2.41 -0.14 0.00 0.04 -1.26 -2.55 135.00 129.94 1n88 s PRO 11 Ca 0.31 0.91 -0.05 0.00 0.04 0.00 0.00 61.00 62.21 1n88 s PRO 11 Cb -0.08 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 1n88 s PRO 11 CO 0.22 -1.46 0.05 0.14 0.04 0.00 0.00 177.00 175.99 1n88 s VAL 12 N -3.03 4.67 -0.42 -0.36 -7.23 -1.15 -4.92 120.40 107.96 1n88 s VAL 12 Ca 0.60 -0.09 -0.13 0.00 -1.81 0.00 0.00 61.98 60.55 1n88 s VAL 12 Cb -0.15 -3.04 0.05 0.00 0.56 0.00 0.00 36.38 33.80 1n88 s VAL 12 CO 0.55 0.54 0.30 -0.76 -0.31 0.00 0.00 175.10 175.42 1n88 s LEU 13 N -0.31 5.19 -0.13 1.32 2.01 -1.26 -4.66 118.68 120.84 1n88 s LEU 13 Ca 0.08 -1.22 -0.29 0.00 0.01 0.00 0.00 54.13 52.71 1n88 s LEU 13 Cb -0.12 -2.09 0.08 0.00 0.01 0.00 0.00 46.19 44.07 1n88 s LEU 13 CO 0.02 -0.52 0.77 -0.44 1.01 0.00 0.00 176.35 177.19 1n88 s SER 14 N 2.05 -0.61 0.19 2.29 0.01 -1.26 -4.99 113.70 111.38 1n88 s SER 14 Ca 0.03 0.83 -0.22 0.00 1.31 0.00 0.00 55.95 57.90 1n88 s SER 14 Cb -0.22 0.72 0.12 0.00 0.21 0.00 0.00 66.02 66.85 1n88 s SER 14 CO 0.06 -0.45 1.56 -0.08 0.41 0.00 0.00 173.24 174.74 1n88 h GLU 15 N 3.43 -0.10 -0.53 12.44 4.81 -1.98 1.43 114.58 134.08 1n88 h GLU 15 Ca -0.26 0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.13 1n88 h GLU 15 Cb 1.15 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 1n88 h GLU 15 CO 0.28 -0.07 0.38 0.87 -0.73 0.00 0.00 179.01 179.75 1n88 h LYS 16 N -0.10 0.00 0.00 1.92 1.79 -1.98 -1.12 116.57 117.07 1n88 h LYS 16 Ca 0.25 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1n88 h LYS 16 Cb 0.56 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 1n88 h LYS 16 CO -0.83 0.00 -0.08 0.00 -1.08 0.00 0.00 179.45 177.47 1n88 h ALA 17 N 1.73 0.00 -0.83 3.86 0.00 0.14 -2.89 119.26 121.28 1n88 h ALA 17 Ca 0.25 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 55.20 1n88 h ALA 17 Cb 1.01 0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.72 1n88 h ALA 17 CO -0.00 0.08 -0.28 1.88 0.00 0.00 0.00 179.25 180.93 1n88 h TYR 18 N -0.51 -0.69 0.00 0.00 0.05 -0.20 2.56 116.97 118.18 1n88 h TYR 18 Ca 0.00 0.08 -0.02 0.00 0.05 0.00 0.00 58.73 58.84 1n88 h TYR 18 Cb 0.08 0.43 -0.00 0.00 1.01 0.00 0.00 36.73 38.24 1n88 h TYR 18 CO -0.03 -0.38 -0.11 0.00 -1.05 0.00 0.00 178.16 176.59 1n88 h ALA 19 N 1.57 1.28 0.09 3.88 0.00 -1.38 1.66 119.26 126.36 1n88 h ALA 19 Ca 0.36 -0.10 -0.27 0.00 0.00 0.00 0.00 54.91 54.90 1n88 h ALA 19 Cb 0.60 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1n88 h ALA 19 CO -0.86 0.14 -1.43 0.78 0.00 0.00 0.00 179.25 177.88 1n88 h GLY 20 N 0.84 0.21 2.00 0.00 0.00 0.27 -3.34 103.07 103.04 1n88 h GLY 20 Ca -0.00 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 46.73 1n88 h GLY 20 CO 0.01 0.47 -0.30 -2.75 0.00 0.00 0.00 176.54 173.97 1n88 h PHE 21 N -0.43 0.00 -0.15 5.60 3.57 0.38 -3.09 116.94 122.83 1n88 h PHE 21 Ca -0.32 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.22 1n88 h PHE 21 Cb 1.67 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.41 1n88 h PHE 21 CO 0.12 0.30 0.51 0.00 -2.23 0.00 0.00 178.31 177.01 1n88 h ALA 22 N 1.70 1.70 -0.38 2.41 0.00 0.23 0.97 119.26 125.90 1n88 h ALA 22 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1n88 h ALA 22 Cb 1.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1n88 h ALA 22 CO 0.04 -0.59 0.00 -1.91 0.00 0.00 0.00 179.25 176.79 1n88 n GLU 23 N -3.03 2.85 -0.27 0.00 2.13 -1.17 -4.82 120.64 116.33 1n88 n GLU 23 Ca 0.02 -1.78 0.00 0.00 0.66 0.00 0.00 57.16 56.06 1n88 n GLU 23 Cb 0.59 -1.73 0.00 0.00 0.27 0.00 0.00 31.44 30.57 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 0.68 0.63 3.81 8.31 0.00 0.33 -4.77 105.19 114.19 1n88 n GLY 24 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.83 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 4.32 -0.28 1.61 1.02 -0.87 -2.32 119.74 122.49 1n88 s LYS 25 Ca 0.00 1.06 0.01 0.00 0.02 0.00 0.00 55.97 57.06 1n88 s LYS 25 Cb 0.00 -2.58 0.08 0.00 -0.52 0.00 0.00 37.83 34.81 1n88 s LYS 25 CO 0.00 0.19 0.02 0.71 -0.92 0.00 0.00 175.35 175.36 1n88 s TYR 26 N -1.82 2.34 0.05 3.18 2.02 0.71 -3.93 117.35 119.91 1n88 s TYR 26 Ca 0.53 -1.93 -0.30 0.00 -0.37 0.00 0.00 57.07 54.99 1n88 s TYR 26 Cb -0.14 -1.85 -0.05 0.00 -0.40 0.00 0.00 41.96 39.52 1n88 s TYR 26 CO 0.19 -0.83 1.04 0.99 -1.57 0.00 0.00 175.55 175.37 1n88 s THR 27 N 1.41 4.52 0.16 -0.71 2.01 -1.18 -0.52 115.64 121.32 1n88 s THR 27 Ca 0.03 1.89 0.01 0.00 0.31 0.00 0.00 61.69 63.93 1n88 s THR 27 Cb -0.18 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.08 1n88 s THR 27 CO -0.13 0.19 0.01 -0.36 -0.69 0.00 0.00 174.62 173.64 1n88 s PHE 28 N 0.71 1.10 -0.26 4.92 0.08 0.43 -2.92 117.98 122.04 1n88 s PHE 28 Ca 0.52 -1.07 -0.11 0.00 0.12 0.00 0.00 56.93 56.39 1n88 s PHE 28 Cb -0.24 -0.63 -0.05 0.00 -0.57 0.00 0.00 43.02 41.53 1n88 s PHE 28 CO 0.29 -0.29 0.17 -1.58 -0.10 0.00 0.00 175.22 173.71 1n88 s TRP 29 N -3.76 3.25 0.15 0.36 0.52 -1.05 -0.19 118.94 118.21 1n88 s TRP 29 Ca 0.23 0.12 -0.07 0.00 0.02 0.00 0.00 56.10 56.41 1n88 s TRP 29 Cb 0.06 -2.33 -0.02 0.00 -1.15 0.00 0.00 33.47 30.04 1n88 s TRP 29 CO 0.03 -0.09 0.23 0.54 0.02 0.00 0.00 176.95 177.68 1n88 s VAL 30 N 1.48 0.08 0.97 4.03 0.11 0.70 0.22 120.40 128.00 1n88 s VAL 30 Ca 0.07 -1.50 -0.13 0.00 -2.93 0.00 0.00 61.98 57.49 1n88 s VAL 30 Cb -0.15 -1.86 0.17 0.00 -1.53 0.00 0.00 36.38 33.01 1n88 s VAL 30 CO 0.08 -0.36 1.14 -2.28 -3.33 0.00 0.00 175.10 170.35 1n88 s HIS 31 N -3.98 2.10 -0.08 1.54 2.46 -1.26 0.45 115.29 116.52 1n88 s HIS 31 Ca 0.18 0.80 -0.21 0.00 0.47 0.00 0.00 55.06 56.30 1n88 s HIS 31 Cb 0.04 -3.42 -0.17 0.00 -0.13 0.00 0.00 32.58 28.90 1n88 s HIS 31 CO -0.00 -2.71 0.79 -1.00 -2.47 0.00 0.00 174.74 169.35 1n88 h PRO 32 N -1.74 -0.11 -0.34 2.88 0.13 -1.91 -3.14 132.00 127.76 1n88 h PRO 32 Ca -0.51 0.01 0.10 0.00 -0.87 0.00 0.00 66.00 64.73 1n88 h PRO 32 Cb 1.32 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.46 1n88 h PRO 32 CO 0.56 0.42 0.72 1.57 -0.23 0.00 0.00 178.00 181.04 1n88 h LYS 33 N -0.87 0.00 -3.79 0.86 2.10 -1.98 -3.20 116.57 109.69 1n88 h LYS 33 Ca -0.01 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.35 1n88 h LYS 33 Cb 0.58 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.94 1n88 h LYS 33 CO 0.02 0.00 2.00 0.00 -2.00 0.00 0.00 179.45 179.47 1n88 n ALA 34 N -1.99 3.20 -1.16 0.07 0.00 -1.19 -4.90 120.51 114.54 1n88 n ALA 34 Ca 0.07 -1.50 -0.37 0.00 0.00 0.00 0.00 53.44 51.64 1n88 n ALA 34 Cb 0.85 -2.93 0.00 0.00 0.00 0.00 0.00 19.45 17.37 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 4.75 0.25 -0.31 0.00 -2.24 -1.21 -4.00 114.28 111.52 1n88 n THR 35 Ca 0.31 -0.46 0.12 0.00 -2.27 0.00 0.00 64.05 61.75 1n88 n THR 35 Cb 0.13 0.00 0.25 0.00 -2.10 0.00 0.00 70.33 68.61 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 0.12 0.06 0.23 -0.78 1.57 -1.90 0.25 116.57 116.13 1n88 h LYS 36 Ca -0.36 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.41 1n88 h LYS 36 Cb 1.33 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.62 1n88 h LYS 36 CO 0.40 0.04 -0.16 1.15 -0.57 0.00 0.00 179.45 180.31 1n88 h THR 37 N 0.06 0.65 -0.86 -0.16 2.02 -1.95 -2.00 112.91 110.67 1n88 h THR 37 Ca 0.54 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.82 1n88 h THR 37 Cb 1.08 0.65 -0.07 0.00 -1.74 0.00 0.00 68.15 68.07 1n88 h THR 37 CO -0.82 0.00 0.51 -0.33 0.37 0.00 0.00 175.52 175.25 1n88 h GLU 38 N -0.39 0.83 -0.35 6.66 5.08 -0.88 0.25 114.58 125.78 1n88 h GLU 38 Ca -0.02 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1n88 h GLU 38 Cb 0.34 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1n88 h GLU 38 CO 0.00 0.55 0.24 0.82 -1.00 0.00 0.00 179.01 179.63 1n88 h ILE 39 N 0.86 0.91 -0.37 3.13 2.04 -0.38 -0.79 117.51 122.92 1n88 h ILE 39 Ca 0.41 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 66.19 1n88 h ILE 39 Cb 0.35 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.14 1n88 h ILE 39 CO -0.24 0.03 0.15 0.50 0.00 0.00 0.00 178.15 178.59 1n88 h LYS 40 N 0.17 0.56 -0.13 2.37 3.64 0.21 -2.95 116.57 120.44 1n88 h LYS 40 Ca 0.16 -0.10 -0.15 0.00 -1.27 0.00 0.00 60.65 59.29 1n88 h LYS 40 Cb 0.41 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 1n88 h LYS 40 CO -0.02 0.54 -0.55 -0.91 -2.27 0.00 0.00 179.45 176.23 1n88 h ASN 41 N 0.46 0.43 -0.00 4.20 2.35 -0.96 -2.35 115.58 119.70 1n88 h ASN 41 Ca 0.12 -0.23 0.01 0.00 -0.55 0.00 0.00 56.30 55.65 1n88 h ASN 41 Cb 0.19 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 1n88 h ASN 41 CO -0.01 0.90 -0.05 0.00 -1.65 0.00 0.00 177.43 176.62 1n88 h ALA 42 N 1.11 -0.05 -0.13 -0.83 0.00 -1.08 0.47 119.26 118.75 1n88 h ALA 42 Ca 0.00 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1n88 h ALA 42 Cb 1.06 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1n88 h ALA 42 CO 0.09 -0.55 -0.54 -0.39 0.00 0.00 0.00 179.25 177.87 1n88 h VAL 43 N -0.09 1.34 -0.56 0.00 -1.51 -1.58 0.11 116.25 113.95 1n88 h VAL 43 Ca 0.02 -1.81 -0.07 0.00 -1.23 0.00 0.00 66.70 63.61 1n88 h VAL 43 Cb 0.12 1.84 -0.02 0.00 -2.13 0.00 0.00 31.29 31.10 1n88 h VAL 43 CO -0.06 0.55 0.07 -0.33 -1.23 0.00 0.00 177.57 176.57 1n88 h GLU 44 N 0.29 0.92 0.07 5.19 4.39 -0.96 1.40 114.58 125.88 1n88 h GLU 44 Ca 0.01 -0.23 -0.24 0.00 0.34 0.00 0.00 59.36 59.23 1n88 h GLU 44 Cb 1.04 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 1n88 h GLU 44 CO 0.09 0.87 -1.11 1.15 -1.16 0.00 0.00 179.01 178.85 1n88 h THR 45 N 0.86 1.55 0.00 1.13 2.02 0.12 -2.00 112.91 116.60 1n88 h THR 45 Ca 0.17 -3.06 0.00 0.00 0.77 0.00 0.00 66.41 64.29 1n88 h THR 45 Cb 0.41 2.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.65 1n88 h THR 45 CO 0.01 0.89 -0.38 0.00 0.37 0.00 0.00 175.52 176.41 1n88 n ALA 46 N -2.48 0.34 0.25 6.16 0.00 0.37 -4.37 120.51 120.78 1n88 n ALA 46 Ca -0.06 -0.35 0.14 0.00 0.00 0.00 0.00 53.44 53.18 1n88 n ALA 46 Cb 0.96 0.01 0.55 0.00 0.00 0.00 0.00 19.45 20.97 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 -0.76 0.00 -5.58 0.00 0.04 0.16 -3.47 116.94 107.33 1n88 h PHE 47 Ca 0.00 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.43 1n88 h PHE 47 Cb 0.38 0.00 0.16 0.00 2.20 0.00 0.00 35.95 38.69 1n88 h PHE 47 CO -0.16 0.08 -0.72 1.63 -0.60 0.00 0.00 178.31 178.54 1n88 n LYS 48 N -3.20 -6.83 -0.54 1.51 5.02 -0.40 -4.96 118.16 108.76 1n88 n LYS 48 Ca 0.01 0.82 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 1n88 n LYS 48 Cb 0.37 -5.77 0.00 0.00 -0.02 0.00 0.00 35.03 29.62 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 -4.31 0.00 -4.02 -0.18 3.14 -1.25 -5.03 118.33 106.67 1n88 n VAL 49 Ca -0.19 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 60.86 1n88 n VAL 49 Cb 0.63 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 33.26 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 0.19 2.42 -0.22 1.45 2.36 -1.26 -4.68 119.74 119.99 1n88 s LYS 50 Ca 0.00 -1.24 -0.29 0.00 -2.55 0.00 0.00 55.97 51.89 1n88 s LYS 50 Cb 0.00 -2.95 0.00 0.00 -1.05 0.00 0.00 37.83 33.84 1n88 s LYS 50 CO 0.00 -0.53 1.10 0.08 1.55 0.00 0.00 175.35 177.55 1n88 s VAL 51 N 1.18 4.55 -1.37 4.02 1.01 -1.26 -3.27 120.40 125.26 1n88 s VAL 51 Ca -0.06 1.87 0.14 0.00 0.00 0.00 0.00 61.98 63.93 1n88 s VAL 51 Cb -0.19 -4.24 0.33 0.00 0.00 0.00 0.00 36.38 32.28 1n88 s VAL 51 CO -0.05 -0.21 1.24 0.55 0.00 0.00 0.00 175.10 176.64 1n88 n VAL 52 N 5.41 0.75 0.00 2.92 3.14 0.26 -4.90 118.33 125.92 1n88 n VAL 52 Ca 0.13 -0.88 0.00 0.00 -2.96 0.00 0.00 64.34 60.63 1n88 n VAL 52 Cb 0.46 0.70 0.00 0.00 -1.06 0.00 0.00 33.84 33.94 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 0.83 0.00 -4.08 1.45 5.02 -1.15 -4.89 118.16 115.34 1n88 n LYS 53 Ca 0.14 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.10 1n88 n LYS 53 Cb 0.45 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.31 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 2.25 -0.23 -0.18 1.01 -1.25 0.15 120.40 122.15 1n88 s VAL 54 Ca 0.00 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 60.89 1n88 s VAL 54 Cb 0.00 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.35 1n88 s VAL 54 CO 0.00 0.37 -0.09 0.20 0.00 0.00 0.00 175.10 175.58 1n88 s ASN 55 N 1.26 4.09 -0.05 3.32 -0.87 0.71 -4.84 114.94 118.57 1n88 s ASN 55 Ca 0.01 -0.83 0.04 0.00 -1.57 0.00 0.00 52.86 50.51 1n88 s ASN 55 Cb -0.15 -1.62 -0.02 0.00 -0.02 0.00 0.00 41.25 39.43 1n88 s ASN 55 CO -0.10 -0.10 -0.16 0.28 -2.57 0.00 0.00 177.10 174.46 1n88 s THR 56 N 1.31 2.95 0.32 1.60 -1.32 -1.25 0.27 115.64 119.52 1n88 s THR 56 Ca 0.01 -0.77 0.06 0.00 -1.21 0.00 0.00 61.69 59.78 1n88 s THR 56 Cb -0.16 -2.14 -0.06 0.00 -1.51 0.00 0.00 72.50 68.62 1n88 s THR 56 CO -0.06 0.59 -0.00 -1.48 -2.21 0.00 0.00 174.62 171.46 1n88 s LEU 57 N -0.69 2.45 0.04 9.08 0.05 0.46 -4.88 118.68 125.18 1n88 s LEU 57 Ca 0.11 -1.30 -0.30 0.00 0.05 0.00 0.00 54.13 52.68 1n88 s LEU 57 Cb -0.11 -0.60 -0.06 0.00 -2.05 0.00 0.00 46.19 43.38 1n88 s LEU 57 CO 0.00 -0.46 1.27 -2.28 -0.55 0.00 0.00 176.35 174.33 1n88 s HIS 58 N -3.05 3.25 -0.07 3.48 5.65 -1.26 -0.24 115.29 123.04 1n88 s HIS 58 Ca 0.33 1.14 0.01 0.00 0.25 0.00 0.00 55.06 56.79 1n88 s HIS 58 Cb 0.07 -3.51 -0.03 0.00 -1.18 0.00 0.00 32.58 27.93 1n88 s HIS 58 CO 0.15 -1.68 -0.09 0.14 -0.65 0.00 0.00 174.74 172.61 1n88 s VAL 59 N 1.53 3.55 0.46 0.89 -7.23 -0.85 -4.83 120.40 113.91 1n88 s VAL 59 Ca 0.60 -0.53 0.06 0.00 -1.81 0.00 0.00 61.98 60.30 1n88 s VAL 59 Cb -0.30 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.17 1n88 s VAL 59 CO 0.28 0.59 0.22 -0.13 -0.31 0.00 0.00 175.10 175.74 1n88 s ARG 60 N -0.64 2.24 -0.43 4.82 3.00 -1.26 -3.84 118.95 122.83 1n88 s ARG 60 Ca 0.10 -1.97 0.02 0.00 0.00 0.00 0.00 55.73 53.88 1n88 s ARG 60 Cb -0.11 -1.95 0.13 0.00 0.00 0.00 0.00 34.95 33.01 1n88 s ARG 60 CO 0.02 -0.29 0.21 0.20 0.00 0.00 0.00 175.30 175.44 1n88 s GLY 61 N -4.00 1.82 -0.60 -3.53 0.00 -1.26 -5.05 107.32 94.69 1n88 s GLY 61 Ca 0.34 -2.64 -0.04 0.00 0.00 0.00 0.00 44.72 42.38 1n88 s GLY 61 CO 0.19 1.36 0.42 1.25 0.00 0.00 0.00 173.10 176.32 1n88 s LYS 62 N 0.41 2.54 -0.41 2.90 2.20 -1.26 -4.02 119.74 122.09 1n88 s LYS 62 Ca 0.16 -2.42 0.09 0.00 -0.36 0.00 0.00 55.97 53.44 1n88 s LYS 62 Cb -0.23 -3.75 0.36 0.00 -1.51 0.00 0.00 37.83 32.70 1n88 s LYS 62 CO -0.04 -1.17 1.16 1.17 -0.36 0.00 0.00 175.35 176.12 1n88 n LYS 63 N 3.69 1.10 -3.84 4.03 0.00 -1.26 -5.00 118.16 116.88 1n88 n LYS 63 Ca 0.06 -2.16 -0.37 0.00 0.00 0.00 0.00 58.31 55.85 1n88 n LYS 63 Cb 0.39 -0.73 0.03 0.00 0.00 0.00 0.00 35.03 34.72 1n88 n LYS 63 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1n88 n LYS 64 N -0.06 -0.93 0.00 1.64 4.01 -1.26 -4.64 118.16 116.91 1n88 n LYS 64 Ca 0.05 0.31 0.00 0.00 -0.51 0.00 0.00 58.31 58.16 1n88 n LYS 64 Cb 0.77 -3.56 0.00 0.00 -0.51 0.00 0.00 35.03 31.72 1n88 n LYS 64 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 1n88 n ARG 65 N -4.51 0.00 -3.01 1.97 -4.01 -1.26 -4.71 116.66 101.13 1n88 n ARG 65 Ca -0.11 0.00 -0.01 0.00 -1.04 0.00 0.00 57.85 56.70 1n88 n ARG 65 Cb 0.58 0.00 -0.01 0.00 -3.04 0.00 0.00 32.46 30.00 1n88 n ARG 65 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 1n88 n LEU 66 N -0.90 -4.90 0.00 2.89 4.32 -1.26 0.04 117.00 117.19 1n88 n LEU 66 Ca 0.00 0.99 0.00 0.00 -0.02 0.00 0.00 56.01 56.98 1n88 n LEU 66 Cb 0.00 -2.03 0.00 0.00 -1.62 0.00 0.00 43.42 39.77 1n88 n LEU 66 CO 0.00 -2.50 0.00 0.61 -1.22 0.00 0.00 177.39 174.28 1n88 n GLY 67 N 1.70 -0.82 0.00 -0.72 0.00 -1.24 -0.98 105.19 103.13 1n88 n GLY 67 Ca -0.06 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.79 1n88 n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1n88 n ARG 68 N 0.00 -0.27 -1.17 1.61 1.85 -1.26 -4.33 116.66 113.09 1n88 n ARG 68 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 57.85 56.32 1n88 n ARG 68 Cb 0.00 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.30 1n88 n ARG 68 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60 1n88 n TYR 69 N -2.52 0.99 -3.79 2.89 4.19 -1.26 -0.35 117.16 117.31 1n88 n TYR 69 Ca 0.00 0.66 -0.31 0.00 3.31 0.00 0.00 57.90 61.56 1n88 n TYR 69 Cb 0.00 -2.11 -0.06 0.00 0.49 0.00 0.00 39.34 37.66 1n88 n TYR 69 CO 0.00 0.00 0.00 1.28 0.91 0.00 0.00 176.86 179.05 1n88 n LEU 70 N 7.21 -0.63 0.00 2.98 7.99 -1.14 -4.87 117.00 128.54 1n88 n LEU 70 Ca 0.52 -0.94 0.00 0.00 -0.01 0.00 0.00 56.01 55.58 1n88 n LEU 70 Cb -0.03 -1.19 0.00 0.00 -0.11 0.00 0.00 43.42 42.09 1n88 n LEU 70 CO 0.81 0.11 0.00 0.61 -1.51 0.00 0.00 177.39 177.42 1n88 n GLY 71 N -1.10 1.33 3.52 -0.72 0.00 0.11 -4.90 105.19 103.42 1n88 n GLY 71 Ca 0.04 -1.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.13 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 1.89 2.63 -0.17 1.61 -0.14 -0.16 -4.44 119.74 120.96 1n88 s LYS 72 Ca 0.00 -0.63 -0.29 0.00 -1.36 0.00 0.00 55.97 53.69 1n88 s LYS 72 Cb 0.00 -2.48 -0.05 0.00 -1.68 0.00 0.00 37.83 33.62 1n88 s LYS 72 CO 0.00 0.63 1.99 0.50 -0.76 0.00 0.00 175.35 177.71 1n88 s ARG 73 N -0.73 3.52 0.00 1.68 3.00 -1.23 -3.63 118.95 121.57 1n88 s ARG 73 Ca 0.11 2.02 0.00 0.00 -1.00 0.00 0.00 55.73 56.86 1n88 s ARG 73 Cb -0.11 -4.24 0.00 0.00 0.00 0.00 0.00 34.95 30.60 1n88 s ARG 73 CO 0.01 -1.65 0.00 -0.35 0.00 0.00 0.00 175.30 173.31 1n88 n PRO 74 N 8.22 0.07 -3.76 5.12 -0.04 -1.26 -4.93 135.00 138.42 1n88 n PRO 74 Ca 0.24 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.36 1n88 n PRO 74 Cb 0.44 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.80 1n88 n PRO 74 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1n88 s ASP 75 N -1.35 5.07 0.22 3.54 -4.77 -1.26 -4.88 116.67 113.25 1n88 s ASP 75 Ca 0.00 -2.97 -0.03 0.00 -3.30 0.00 0.00 52.55 46.25 1n88 s ASP 75 Cb 0.00 -1.81 -0.05 0.00 -1.09 0.00 0.00 42.92 39.97 1n88 s ASP 75 CO 0.00 -0.32 0.44 0.00 0.70 0.00 0.00 175.17 175.99 1n88 s ARG 76 N -0.23 3.58 -0.05 2.11 1.70 -1.25 -4.66 118.95 120.15 1n88 s ARG 76 Ca 0.18 -0.18 0.05 0.00 -0.47 0.00 0.00 55.73 55.31 1n88 s ARG 76 Cb -0.20 -2.78 -0.01 0.00 -0.57 0.00 0.00 34.95 31.39 1n88 s ARG 76 CO -0.03 0.36 -0.21 0.21 -1.08 0.00 0.00 175.30 174.55 1n88 s LYS 77 N -3.25 2.16 0.08 3.89 2.20 0.17 -2.01 119.74 122.98 1n88 s LYS 77 Ca 0.41 -0.74 0.01 0.00 -0.36 0.00 0.00 55.97 55.28 1n88 s LYS 77 Cb -0.11 -1.84 -0.04 0.00 -1.51 0.00 0.00 37.83 34.33 1n88 s LYS 77 CO 0.28 0.30 0.19 0.21 -0.36 0.00 0.00 175.35 175.97 1n88 s LYS 78 N -0.03 3.30 -0.05 4.03 2.20 0.67 0.25 119.74 130.11 1n88 s LYS 78 Ca -0.04 -0.52 0.02 0.00 -0.36 0.00 0.00 55.97 55.06 1n88 s LYS 78 Cb -0.13 -2.95 0.02 0.00 -1.51 0.00 0.00 37.83 33.26 1n88 s LYS 78 CO 0.03 0.59 -0.07 0.00 -0.36 0.00 0.00 175.35 175.54 1n88 s ALA 79 N -1.51 0.86 -0.30 3.13 0.00 0.74 -0.40 121.76 124.27 1n88 s ALA 79 Ca 0.34 -0.19 -0.04 0.00 0.00 0.00 0.00 51.96 52.06 1n88 s ALA 79 Cb -0.13 -0.44 0.03 0.00 0.00 0.00 0.00 23.12 22.59 1n88 s ALA 79 CO 0.27 0.05 0.04 0.42 0.00 0.00 0.00 175.76 176.54 1n88 s ILE 80 N 0.71 3.41 -0.15 0.00 1.09 0.76 0.16 121.20 127.18 1n88 s ILE 80 Ca -0.11 -1.10 -0.04 0.00 -1.10 0.00 0.00 60.65 58.29 1n88 s ILE 80 Cb -0.14 -2.87 -0.03 0.00 -1.06 0.00 0.00 42.46 38.36 1n88 s ILE 80 CO 0.01 -0.04 -0.03 -0.69 -0.10 0.00 0.00 174.94 174.10 1n88 s VAL 81 N 1.36 3.96 0.05 2.92 1.01 0.32 0.26 120.40 130.28 1n88 s VAL 81 Ca -0.02 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.65 1n88 s VAL 81 Cb -0.19 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 1n88 s VAL 81 CO 0.00 0.50 0.06 -1.58 0.00 0.00 0.00 175.10 174.08 1n88 s GLN 82 N 0.31 2.88 0.22 2.72 2.00 0.41 0.26 119.66 128.45 1n88 s GLN 82 Ca -0.03 -0.65 0.10 0.00 -2.00 0.00 0.00 55.36 52.78 1n88 s GLN 82 Cb -0.14 -2.73 -0.04 0.00 0.80 0.00 0.00 33.01 30.90 1n88 s GLN 82 CO 0.03 0.59 -0.08 0.14 -0.50 0.00 0.00 175.29 175.47 1n88 s VAL 83 N -1.29 3.17 1.23 1.34 -7.23 -0.98 0.93 120.40 117.57 1n88 s VAL 83 Ca 0.26 -1.84 -0.20 0.00 -1.81 0.00 0.00 61.98 58.39 1n88 s VAL 83 Cb -0.12 -2.62 0.30 0.00 0.56 0.00 0.00 36.38 34.50 1n88 s VAL 83 CO 0.18 -0.23 1.10 0.00 -0.31 0.00 0.00 175.10 175.84 1n88 s ALA 84 N -2.00 0.49 0.27 1.32 0.00 -1.20 -4.76 121.76 115.87 1n88 s ALA 84 Ca 0.27 -0.97 -0.29 0.00 0.00 0.00 0.00 51.96 50.97 1n88 s ALA 84 Cb -0.08 -2.88 -0.09 0.00 0.00 0.00 0.00 23.12 20.08 1n88 s ALA 84 CO 0.17 -3.71 1.11 -1.25 0.00 0.00 0.00 175.76 172.08 1n88 s PRO 85 N -5.41 4.62 0.00 0.00 0.04 -1.26 -3.63 135.00 129.36 1n88 s PRO 85 Ca 0.71 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.56 1n88 s PRO 85 Cb -0.09 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.25 1n88 s PRO 85 CO 0.56 0.18 0.00 0.41 0.04 0.00 0.00 177.00 178.19 1n88 n GLY 86 N 1.31 3.08 3.83 0.56 0.00 -1.26 -5.06 105.19 107.65 1n88 n GLY 86 Ca -0.00 -1.03 -0.21 0.00 0.00 0.00 0.00 46.02 44.78 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 0.00 0.28 0.00 1.61 0.00 -1.24 -5.10 117.38 112.92 1n88 n GLN 87 Ca 0.00 -2.88 0.00 0.00 0.00 0.00 0.00 57.00 54.12 1n88 n GLN 87 Cb 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 30.24 29.81 1n88 n GLN 87 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 1n88 n LYS 88 N -2.51 0.00 -1.52 2.61 2.85 -1.26 -4.93 118.16 113.40 1n88 n LYS 88 Ca 0.16 0.00 -0.34 0.00 -1.05 0.00 0.00 58.31 57.08 1n88 n LYS 88 Cb 0.58 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.84 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 -0.02 0.12 0.58 5.41 -1.26 -4.68 119.36 119.51 1n88 n ILE 89 Ca 0.00 -0.31 0.08 0.00 1.00 0.00 0.00 62.75 63.51 1n88 n ILE 89 Cb 0.00 -1.08 0.40 0.00 -0.71 0.00 0.00 39.64 38.25 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 8.14 0.10 -0.24 0.38 -0.58 -1.26 -2.39 120.64 124.79 1n88 n GLU 90 Ca 0.58 0.58 0.11 0.00 -0.42 0.00 0.00 57.16 58.01 1n88 n GLU 90 Cb 0.20 -1.88 0.38 0.00 -0.57 0.00 0.00 31.44 29.58 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 1.83 1.82 0.00 0.62 0.00 -1.97 -2.83 119.26 118.73 1n88 h ALA 91 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1n88 h ALA 91 Cb 0.12 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1n88 h ALA 91 CO 0.00 -0.03 -1.74 1.28 0.00 0.00 0.00 179.25 178.76 1n88 n LEU 92 N -4.53 0.00 -0.36 0.00 4.77 -1.00 -4.18 117.00 111.69 1n88 n LEU 92 Ca 0.15 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.20 1n88 n LEU 92 Cb 0.41 0.10 0.23 0.00 -2.33 0.00 0.00 43.42 41.84 1n88 n LEU 92 CO 0.31 0.10 1.23 -0.33 -1.33 0.00 0.00 177.39 177.37 1n88 h GLU 93 N 0.00 0.97 -0.01 3.23 4.39 -1.42 0.48 114.58 122.22 1n88 h GLU 93 Ca -0.11 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.53 1n88 h GLU 93 Cb 1.02 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1n88 h GLU 93 CO 0.01 0.64 -0.36 0.41 -1.16 0.00 0.00 179.01 178.55 1n88 n GLY 94 N -1.35 -0.79 0.24 -3.84 0.00 -1.14 -3.96 105.19 94.34 1n88 n GLY 94 Ca 0.19 -0.40 0.07 0.00 0.00 0.00 0.00 46.02 45.88 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 0.85 0.00 0.00 0.99 4.07 -1.06 -3.52 115.31 116.64 1n88 h LEU 95 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1n88 h LEU 95 Cb 0.51 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.25 1n88 h LEU 95 CO 0.00 0.15 0.00 -0.38 -1.08 0.00 0.00 178.44 177.13