#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n89 h GLN 3 N 3.94 0.00 0.00 0.00 4.20 -2.00 -3.45 115.11 117.79 1n89 h GLN 3 Ca -0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.40 1n89 h GLN 3 Cb 0.69 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.47 1n89 h GLN 3 CO 0.01 0.02 0.00 0.00 -0.67 0.00 0.00 178.83 178.18 1n89 n ALA 4 N -2.15 0.00 -1.19 3.87 0.00 -1.26 -4.75 120.51 115.02 1n89 n ALA 4 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1n89 n ALA 4 Cb 0.13 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 18.98 1n89 n ALA 4 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1n89 n SER 5 N -0.37 0.16 0.20 0.00 2.88 -1.26 -4.80 113.62 110.43 1n89 n SER 5 Ca 0.00 -1.35 0.11 0.00 -1.33 0.00 0.00 58.87 56.31 1n89 n SER 5 Cb 0.18 -0.06 0.14 0.00 -0.75 0.00 0.00 64.21 63.73 1n89 n SER 5 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1n89 h GLN 6 N 0.00 0.00 0.00 -1.46 4.20 -1.94 -3.26 115.11 112.65 1n89 h GLN 6 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1n89 h GLN 6 Cb 1.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.85 1n89 h GLN 6 CO 0.00 0.02 -1.47 1.28 -0.67 0.00 0.00 178.83 177.99 1n89 n LEU 7 N -3.06 0.41 -0.13 1.46 4.77 -1.26 -4.45 117.00 114.74 1n89 n LEU 7 Ca 0.03 -0.01 -0.07 0.00 -0.03 0.00 0.00 56.01 55.93 1n89 n LEU 7 Cb 0.54 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.59 1n89 n LEU 7 CO 0.35 0.01 0.65 0.00 -1.33 0.00 0.00 177.39 177.07 1n89 h ALA 8 N 2.25 -0.12 -0.35 -1.18 0.00 -1.88 0.37 119.26 118.36 1n89 h ALA 8 Ca 0.00 0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.13 1n89 h ALA 8 Cb 0.87 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 1n89 h ALA 8 CO 0.00 -0.70 0.39 -0.24 0.00 0.00 0.00 179.25 178.71 1n89 h VAL 9 N -0.22 0.37 0.00 0.00 3.04 -1.78 0.41 116.25 118.07 1n89 h VAL 9 Ca 0.19 0.00 -0.18 0.00 -1.01 0.00 0.00 66.70 65.70 1n89 h VAL 9 Cb 0.53 0.68 -0.03 0.00 -2.01 0.00 0.00 31.29 30.47 1n89 h VAL 9 CO -0.56 0.00 -0.84 0.00 -1.01 0.00 0.00 177.57 175.16 1n89 h ALA 11 N 1.16 3.52 -0.98 0.00 0.00 0.40 0.59 119.26 123.95 1n89 h ALA 11 Ca -0.01 -0.04 0.27 0.00 0.00 0.00 0.00 54.91 55.14 1n89 h ALA 11 Cb 1.51 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.39 1n89 h ALA 11 CO 0.11 -2.03 0.69 1.03 0.00 0.00 0.00 179.25 179.05 1n89 h SER 12 N 0.02 0.09 0.24 0.00 0.87 -1.70 0.35 113.55 113.42 1n89 h SER 12 Ca 0.82 0.01 -0.33 0.00 -1.23 0.00 0.00 61.79 61.07 1n89 h SER 12 Cb 3.21 -0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 65.10 1n89 h SER 12 CO -0.07 0.03 -2.06 0.00 -0.53 0.00 0.00 176.83 174.21 1n89 n ALA 13 N -2.68 1.52 0.01 6.23 0.00 0.21 -0.40 120.51 125.40 1n89 n ALA 13 Ca 0.21 -1.05 -0.01 0.00 0.00 0.00 0.00 53.44 52.59 1n89 n ALA 13 Cb 0.99 -0.51 -0.00 0.00 0.00 0.00 0.00 19.45 19.93 1n89 n ALA 13 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1n89 h ILE 14 N 0.00 0.00 0.00 0.00 5.03 -0.83 -3.22 117.51 118.49 1n89 h ILE 14 Ca -0.42 -0.20 0.00 0.00 -0.12 0.00 0.00 64.86 64.12 1n89 h ILE 14 Cb 2.11 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 35.90 1n89 h ILE 14 CO 0.05 0.00 0.00 0.18 -0.68 0.00 0.00 178.15 177.70 1n89 n LEU 15 N -2.72 0.88 0.13 1.44 4.77 0.10 -4.29 117.00 117.31 1n89 n LEU 15 Ca -0.01 0.43 -0.16 0.00 -0.03 0.00 0.00 56.01 56.25 1n89 n LEU 15 Cb 0.02 -0.14 -0.09 0.00 -2.33 0.00 0.00 43.42 40.89 1n89 n LEU 15 CO 0.02 -0.14 0.54 -1.28 -1.33 0.00 0.00 177.39 175.20 1n89 h SER 16 N 0.00 -1.49 0.00 -1.43 0.87 -1.66 -3.47 113.55 106.37 1n89 h SER 16 Ca 0.00 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.72 1n89 h SER 16 Cb 0.00 0.55 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1n89 h SER 16 CO 0.00 -0.55 0.00 0.61 -0.53 0.00 0.00 176.83 176.36 1n89 n GLY 17 N -1.49 1.79 0.00 5.77 0.00 0.46 -4.98 105.19 106.74 1n89 n GLY 17 Ca -0.08 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1n89 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n89 n ALA 18 N -1.10 -0.06 -3.61 4.61 0.00 -0.01 -4.92 120.51 115.42 1n89 n ALA 18 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1n89 n ALA 18 Cb 0.02 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.45 1n89 n ALA 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1n89 s LYS 19 N -1.26 0.28 0.94 0.00 0.00 -1.26 -5.01 119.74 113.42 1n89 s LYS 19 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 55.97 55.83 1n89 s LYS 19 Cb 0.00 0.13 0.21 0.00 0.00 0.00 0.00 37.83 38.17 1n89 s LYS 19 CO 0.00 -0.10 0.47 -2.30 0.00 0.00 0.00 175.35 173.42 1n89 n PRO 20 N 0.32 -2.33 -3.65 1.78 -0.02 -1.26 -4.56 135.00 125.28 1n89 n PRO 20 Ca -0.02 -0.80 -0.03 0.00 -2.02 0.00 0.00 63.50 60.63 1n89 n PRO 20 Cb 0.58 -1.29 -0.07 0.00 -0.02 0.00 0.00 33.50 32.70 1n89 n PRO 20 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1n89 s SER 21 N -2.28 -0.22 0.57 2.55 0.01 -1.26 -5.02 113.70 108.05 1n89 s SER 21 Ca 0.37 0.39 0.27 0.00 1.31 0.00 0.00 55.95 58.28 1n89 s SER 21 Cb -0.06 0.70 1.59 0.00 0.21 0.00 0.00 66.02 68.45 1n89 s SER 21 CO 0.31 -0.06 2.11 1.23 0.41 0.00 0.00 173.24 177.23 1n89 h GLY 22 N 4.39 0.00 0.71 3.44 0.00 -2.01 -2.18 103.07 107.42 1n89 h GLY 22 Ca -0.27 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.09 1n89 h GLY 22 CO 0.18 0.00 0.10 -2.09 0.00 0.00 0.00 176.54 174.73 1n89 h GLU 23 N 0.00 0.22 -0.54 4.80 4.81 -2.00 -1.43 114.58 120.44 1n89 h GLU 23 Ca 0.09 -0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.46 1n89 h GLU 23 Cb 0.45 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1n89 h GLU 23 CO -0.00 0.15 0.41 0.00 -0.73 0.00 0.00 179.01 178.84 1n89 h GLY 26 N -0.91 0.17 0.19 0.00 0.00 -1.13 0.08 103.07 101.47 1n89 h GLY 26 Ca -0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1n89 h GLY 26 CO 0.06 0.03 -0.09 3.43 0.00 0.00 0.00 176.54 179.97 1n89 h ASN 27 N 0.12 -0.21 -0.40 0.19 4.21 -1.30 -3.18 115.58 115.01 1n89 h ASN 27 Ca 0.20 0.01 0.12 0.00 1.21 0.00 0.00 56.30 57.84 1n89 h ASN 27 Cb 0.64 0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.88 1n89 h ASN 27 CO -0.02 -0.05 0.44 0.17 -1.29 0.00 0.00 177.43 176.67 1n89 h LEU 28 N -0.45 0.00 -0.59 1.61 8.10 -1.28 0.36 115.31 123.07 1n89 h LEU 28 Ca -0.03 0.00 0.03 0.00 0.11 0.00 0.00 57.88 58.00 1n89 h LEU 28 Cb 0.19 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.37 1n89 h LEU 28 CO 0.04 0.00 0.35 0.03 -4.11 0.00 0.00 178.44 174.75 1n89 h ARG 29 N 0.00 0.65 -0.45 0.17 -0.00 -0.97 0.31 114.38 114.09 1n89 h ARG 29 Ca 0.19 -0.04 0.13 0.00 -0.50 0.00 0.00 59.98 59.76 1n89 h ARG 29 Cb 1.07 -0.15 -0.02 0.00 0.00 0.00 0.00 29.97 30.88 1n89 h ARG 29 CO -0.00 0.43 0.47 0.00 0.00 0.00 0.00 179.97 180.87 1n89 h ALA 30 N 1.27 2.18 -0.39 0.04 0.00 -0.90 -2.92 119.26 118.55 1n89 h ALA 30 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1n89 h ALA 30 Cb 0.06 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1n89 h ALA 30 CO -0.12 -0.70 0.00 1.04 0.00 0.00 0.00 179.25 179.47 1n89 n GLN 31 N -3.75 0.00 -1.20 0.00 6.02 0.03 -4.89 117.38 113.60 1n89 n GLN 31 Ca 0.08 0.40 -0.10 0.00 -0.01 0.00 0.00 57.00 57.38 1n89 n GLN 31 Cb 0.65 -0.90 -0.04 0.00 1.02 0.00 0.00 30.24 30.97 1n89 n GLN 31 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1n89 n GLN 32 N -1.84 -1.42 0.00 -1.09 -0.06 -0.81 -4.27 117.38 107.89 1n89 n GLN 32 Ca 0.00 0.64 0.00 0.00 -2.00 0.00 0.00 57.00 55.64 1n89 n GLN 32 Cb 0.00 -4.75 0.00 0.00 -4.06 0.00 0.00 30.24 21.43 1n89 n GLN 32 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1n89 n GLY 33 N -0.06 0.00 0.00 1.69 0.00 -1.26 -5.01 105.19 100.55 1n89 n GLY 33 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1n89 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n89 h PHE 35 N 0.00 -0.28 -0.89 0.00 -5.15 -1.92 -1.20 116.94 107.49 1n89 h PHE 35 Ca 0.00 0.04 0.15 0.00 -0.20 0.00 0.00 57.97 57.96 1n89 h PHE 35 Cb 0.12 0.18 -0.09 0.00 0.22 0.00 0.00 35.95 36.38 1n89 h PHE 35 CO 0.00 -0.20 0.50 0.00 -2.00 0.00 0.00 178.31 176.61 1n89 h GLN 37 N 0.71 0.00 0.00 0.00 4.20 -1.54 0.30 115.11 118.77 1n89 h GLN 37 Ca 0.48 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.14 1n89 h GLN 37 Cb 0.66 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.43 1n89 h GLN 37 CO -0.35 0.00 -0.26 1.88 -0.67 0.00 0.00 178.83 179.43 1n89 h TYR 38 N 0.00 0.00 0.00 2.96 0.05 -0.80 -3.25 116.97 115.94 1n89 h TYR 38 Ca 0.24 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.02 1n89 h TYR 38 Cb 0.99 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.73 1n89 h TYR 38 CO 0.00 0.26 0.16 0.00 -1.05 0.00 0.00 178.16 177.53 1n89 h ALA 39 N 1.74 1.15 -0.37 3.88 0.00 -0.26 0.22 119.26 125.63 1n89 h ALA 39 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1n89 h ALA 39 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1n89 h ALA 39 CO 0.03 -0.15 0.00 1.17 0.00 0.00 0.00 179.25 180.30 1n89 n LYS 40 N -2.86 2.64 -2.72 0.00 3.00 -1.22 -4.77 118.16 112.23 1n89 n LYS 40 Ca -0.02 -2.07 -0.42 0.00 -0.00 0.00 0.00 58.31 55.80 1n89 n LYS 40 Cb 0.21 -1.31 -0.03 0.00 0.00 0.00 0.00 35.03 33.90 1n89 n LYS 40 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1n89 s ASP 41 N -1.01 7.40 0.02 3.14 -1.08 0.78 -4.99 116.67 120.93 1n89 s ASP 41 Ca 0.26 1.69 -0.27 0.00 -0.52 0.00 0.00 52.55 53.71 1n89 s ASP 41 Cb 0.14 -2.57 -0.15 0.00 -1.46 0.00 0.00 42.92 38.87 1n89 s ASP 41 CO 0.19 -0.22 1.16 1.55 0.52 0.00 0.00 175.17 178.37 1n89 h PRO 42 N 6.53 -0.86 -0.46 4.34 0.13 -1.94 -2.56 132.00 137.18 1n89 h PRO 42 Ca -0.41 0.06 0.13 0.00 -0.87 0.00 0.00 66.00 64.91 1n89 h PRO 42 Cb 1.22 0.20 -0.02 0.00 0.13 0.00 0.00 31.00 32.53 1n89 h PRO 42 CO 0.74 -0.55 0.42 1.79 -0.23 0.00 0.00 178.00 180.17 1n89 h THR 43 N -1.18 0.50 -0.58 1.56 1.35 -1.97 0.53 112.91 113.12 1n89 h THR 43 Ca -0.09 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1n89 h THR 43 Cb 0.71 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 1n89 h THR 43 CO 0.15 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 174.20 1n89 n TYR 44 N -3.96 1.43 -0.03 4.73 4.02 -1.17 -4.43 117.16 117.75 1n89 n TYR 44 Ca 0.08 -0.55 0.03 0.00 -0.01 0.00 0.00 57.90 57.45 1n89 n TYR 44 Cb 0.61 -0.26 0.38 0.00 -0.02 0.00 0.00 39.34 40.05 1n89 n TYR 44 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1n89 h GLY 45 N 4.33 0.64 2.00 2.72 0.00 0.50 -1.40 103.07 111.85 1n89 h GLY 45 Ca 0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 1n89 h GLY 45 CO 0.24 0.25 -0.42 1.46 0.00 0.00 0.00 176.54 178.08 1n89 h GLN 46 N 0.61 0.00 -0.02 4.80 1.08 -1.79 -1.50 115.11 118.29 1n89 h GLN 46 Ca 0.16 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.27 1n89 h GLN 46 Cb -0.00 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.44 1n89 h GLN 46 CO -0.03 0.42 -0.34 -0.92 -0.95 0.00 0.00 178.83 177.00 1n89 h TYR 47 N 0.00 0.38 -0.25 2.96 3.20 -1.59 -3.28 116.97 118.39 1n89 h TYR 47 Ca -0.00 -0.19 -0.15 0.00 3.14 0.00 0.00 58.73 61.52 1n89 h TYR 47 Cb 0.95 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 1n89 h TYR 47 CO 0.00 0.98 -0.46 0.82 -1.64 0.00 0.00 178.16 177.86 1n89 h ILE 48 N -0.33 1.30 -0.03 1.81 1.08 -1.36 -3.00 117.51 116.97 1n89 h ILE 48 Ca -0.04 -1.66 -0.01 0.00 -0.39 0.00 0.00 64.86 62.76 1n89 h ILE 48 Cb 1.06 1.61 -0.01 0.00 -3.07 0.00 0.00 36.82 36.41 1n89 h ILE 48 CO 0.07 0.53 0.01 0.54 -0.69 0.00 0.00 178.15 178.61 1n89 n ARG 49 N -4.01 1.12 -2.56 2.37 5.12 -0.57 -4.84 116.66 113.29 1n89 n ARG 49 Ca -0.02 -0.13 -0.32 0.00 -1.93 0.00 0.00 57.85 55.45 1n89 n ARG 49 Cb 0.56 -1.32 -0.04 0.00 -1.16 0.00 0.00 32.46 30.50 1n89 n ARG 49 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1n89 s SER 50 N 0.38 6.66 -0.03 0.55 0.15 -1.14 -5.00 113.70 115.27 1n89 s SER 50 Ca 0.02 1.51 -0.18 0.00 0.70 0.00 0.00 55.95 58.00 1n89 s SER 50 Cb 0.02 -2.48 -0.32 0.00 -1.71 0.00 0.00 66.02 61.53 1n89 s SER 50 CO 0.01 -0.51 0.87 1.55 1.20 0.00 0.00 173.24 176.36 1n89 h PRO 51 N 1.17 0.39 0.00 5.44 0.13 -1.89 -3.34 132.00 133.90 1n89 h PRO 51 Ca -0.47 -0.66 0.00 0.00 -0.87 0.00 0.00 66.00 64.00 1n89 h PRO 51 Cb 1.18 0.25 0.00 0.00 0.13 0.00 0.00 31.00 32.56 1n89 h PRO 51 CO 0.62 1.32 -0.07 0.45 -0.23 0.00 0.00 178.00 180.09 1n89 h HIS 52 N -0.15 0.00 0.18 1.56 3.86 -1.91 -3.34 115.15 115.35 1n89 h HIS 52 Ca -0.22 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.00 1n89 h HIS 52 Cb 1.88 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 30.33 1n89 h HIS 52 CO 0.16 0.00 -0.20 0.00 0.86 0.00 0.00 177.93 178.75 1n89 h ALA 53 N 2.19 -0.39 -0.45 2.45 0.00 -1.84 -0.12 119.26 121.10 1n89 h ALA 53 Ca 0.00 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1n89 h ALA 53 Cb 0.91 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1n89 h ALA 53 CO 0.00 -0.75 0.30 -0.09 0.00 0.00 0.00 179.25 178.71 1n89 h ARG 54 N -0.42 0.44 -0.33 0.00 2.43 -1.73 -1.69 114.38 113.09 1n89 h ARG 54 Ca 0.00 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.02 1n89 h ARG 54 Cb 0.40 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 1n89 h ARG 54 CO -0.06 0.29 -0.31 0.22 -1.51 0.00 0.00 179.97 178.60 1n89 h ASP 55 N 0.46 0.84 -0.11 -3.80 1.82 -1.55 -1.80 116.42 112.28 1n89 h ASP 55 Ca 0.18 -0.47 0.00 0.00 -0.39 0.00 0.00 57.03 56.36 1n89 h ASP 55 Cb 0.16 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 39.93 1n89 h ASP 55 CO -0.05 1.13 0.07 0.74 -1.61 0.00 0.00 179.24 179.53 1n89 h THR 56 N 0.56 1.04 -0.17 2.25 2.02 -0.17 0.35 112.91 118.79 1n89 h THR 56 Ca 0.05 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1n89 h THR 56 Cb 0.89 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 1n89 h THR 56 CO 0.08 0.04 0.10 -0.07 0.37 0.00 0.00 175.52 176.04 1n89 h LEU 57 N 0.13 0.21 -0.60 2.58 4.07 -1.36 -2.57 115.31 117.77 1n89 h LEU 57 Ca 0.04 -0.08 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 1n89 h LEU 57 Cb 0.00 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 41.66 1n89 h LEU 57 CO -0.01 0.23 0.34 0.74 -1.08 0.00 0.00 178.44 178.66 1n89 h THR 58 N 0.18 1.19 -0.84 0.22 2.02 -1.16 -0.92 112.91 113.60 1n89 h THR 58 Ca 0.06 -0.45 0.22 0.00 0.77 0.00 0.00 66.41 67.02 1n89 h THR 58 Cb 0.06 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 66.82 1n89 h THR 58 CO -0.01 0.20 0.59 -1.28 0.37 0.00 0.00 175.52 175.39 1n89 h SER 59 N 0.81 0.14 0.65 4.18 0.87 -0.03 0.62 113.55 120.79 1n89 h SER 59 Ca 0.21 0.01 -0.24 0.00 -1.23 0.00 0.00 61.79 60.55 1n89 h SER 59 Cb 0.02 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 1n89 h SER 59 CO -0.04 0.06 -1.09 0.00 -0.53 0.00 0.00 176.83 175.23 1n89 n GLY 61 N 1.29 -0.08 0.00 0.00 0.00 0.22 -5.03 105.19 101.59 1n89 n GLY 61 Ca -0.06 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1n89 n GLY 61 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1n89 n LEU 62 N -2.40 0.00 -3.96 0.99 -0.00 -1.25 -5.08 117.00 105.29 1n89 n LEU 62 Ca -0.06 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.85 1n89 n LEU 62 Cb 0.57 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.93 1n89 n LEU 62 CO 0.29 0.00 0.11 0.00 -0.00 0.00 0.00 177.39 177.80 1n89 s ALA 63 N -2.14 -0.19 -0.09 1.47 0.00 -1.26 -5.13 121.76 114.41 1n89 s ALA 63 Ca 0.00 -0.83 -0.01 0.00 0.00 0.00 0.00 51.96 51.12 1n89 s ALA 63 Cb 0.00 1.00 -0.03 0.00 0.00 0.00 0.00 23.12 24.09 1n89 s ALA 63 CO 0.00 -0.78 -0.06 0.54 0.00 0.00 0.00 175.76 175.47 1n89 s VAL 64 N -3.99 3.79 0.00 0.00 0.11 -1.26 -4.79 120.40 114.26 1n89 s VAL 64 Ca 0.20 -0.43 0.00 0.00 -2.93 0.00 0.00 61.98 58.82 1n89 s VAL 64 Cb 0.01 -2.58 0.00 0.00 -1.53 0.00 0.00 36.38 32.28 1n89 s VAL 64 CO 0.05 0.57 0.00 -0.81 -3.33 0.00 0.00 175.10 171.58 1n89 n PRO 65 N 2.55 0.12 -3.14 1.54 -0.04 -1.26 -4.35 135.00 130.42 1n89 n PRO 65 Ca -0.18 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.05 1n89 n PRO 65 Cb 0.53 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.01 1n89 n PRO 65 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1n89 n HIS 66 N -1.51 -1.93 1.74 0.54 8.25 -1.26 -5.10 115.22 115.95 1n89 n HIS 66 Ca 0.00 0.51 0.15 0.00 -0.26 0.00 0.00 57.72 58.12 1n89 n HIS 66 Cb 0.00 -4.00 0.73 0.00 1.12 0.00 0.00 29.99 27.83 1n89 n HIS 66 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98