#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 4.34 0.43 -0.89 0.00 4.15 -2.02 -3.46 115.11 117.66 1n89 h GLN 3 Ca 0.03 -0.19 -0.38 0.00 0.77 0.00 0.00 58.65 58.88 1n89 h GLN 3 Cb 0.96 -0.01 -0.15 0.00 0.21 0.00 0.00 27.48 28.48 1n89 h GLN 3 CO 0.36 0.72 -0.35 0.00 -1.93 0.00 0.00 178.83 177.63 1n89 n ALA 4 N -2.49 -0.29 0.00 3.38 0.00 -1.26 -4.72 120.51 115.14 1n89 n ALA 4 Ca -0.01 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1n89 n ALA 4 Cb 0.46 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.93 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 -1.27 2.95 0.19 0.00 2.88 -1.26 -4.56 113.62 112.54 1n89 n SER 5 Ca -0.19 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.49 1n89 n SER 5 Cb 0.66 0.44 0.57 0.00 -0.75 0.00 0.00 64.21 65.13 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 -2.86 115.11 113.05 1n89 h GLN 6 Ca 0.00 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.53 1n89 h GLN 6 Cb 0.29 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 1n89 h GLN 6 CO 0.00 0.00 -2.19 1.28 -0.67 0.00 0.00 178.83 177.25 1n89 n LEU 7 N -2.55 0.00 -0.33 1.46 4.77 -1.26 -4.39 117.00 114.70 1n89 n LEU 7 Ca 0.01 0.00 0.20 0.00 -0.03 0.00 0.00 56.01 56.19 1n89 n LEU 7 Cb 0.25 0.24 0.44 0.00 -2.33 0.00 0.00 43.42 42.03 1n89 n LEU 7 CO 0.22 0.24 1.19 0.00 -1.33 0.00 0.00 177.39 177.72 1n89 h ALA 8 N 1.51 2.01 0.00 -1.18 0.00 -1.75 0.76 119.26 120.62 1n89 h ALA 8 Ca -0.27 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1n89 h ALA 8 Cb 1.61 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 1n89 h ALA 8 CO 0.01 -0.44 -0.03 -0.24 0.00 0.00 0.00 179.25 178.56 1n89 h VAL 9 N 0.50 0.61 0.06 0.00 3.04 -1.77 -1.43 116.25 117.27 1n89 h VAL 9 Ca 0.61 -0.10 -0.27 0.00 -1.01 0.00 0.00 66.70 65.93 1n89 h VAL 9 Cb 1.33 1.06 -0.02 0.00 -2.01 0.00 0.00 31.29 31.66 1n89 h VAL 9 CO -0.37 0.02 -1.37 0.00 -1.01 0.00 0.00 177.57 174.85 1n89 h ALA 11 N 0.76 3.39 -0.78 0.00 0.00 -0.63 0.39 119.26 122.39 1n89 h ALA 11 Ca -0.16 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 54.82 1n89 h ALA 11 Cb 1.93 0.11 -0.09 0.00 0.00 0.00 0.00 17.79 19.75 1n89 h ALA 11 CO 0.14 -1.89 0.38 0.77 0.00 0.00 0.00 179.25 178.65 1n89 h SER 12 N 0.00 0.47 1.29 0.00 0.02 -1.66 0.82 113.55 114.49 1n89 h SER 12 Ca 0.70 0.08 -0.13 0.00 -0.84 0.00 0.00 61.79 61.61 1n89 h SER 12 Cb 2.95 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 65.48 1n89 h SER 12 CO -0.01 0.22 -0.73 0.00 -1.14 0.00 0.00 176.83 175.18 1n89 h ALA 13 N 1.51 0.63 0.46 3.77 0.00 -0.48 0.28 119.26 125.43 1n89 h ALA 13 Ca 0.41 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1n89 h ALA 13 Cb 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1n89 h ALA 13 CO -0.33 0.76 -0.22 0.82 0.00 0.00 0.00 179.25 180.27 1n89 h ILE 14 N 0.00 0.00 0.00 0.00 5.03 -0.91 -3.13 117.51 118.50 1n89 h ILE 14 Ca -0.03 -0.35 0.00 0.00 -0.12 0.00 0.00 64.86 64.36 1n89 h ILE 14 Cb 1.47 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 35.26 1n89 h ILE 14 CO 0.07 0.00 0.00 0.18 -0.68 0.00 0.00 178.15 177.72 1n89 n LEU 15 N -4.63 2.00 0.26 1.44 4.77 0.13 -4.54 117.00 116.43 1n89 n LEU 15 Ca -0.08 0.17 -0.14 0.00 -0.03 0.00 0.00 56.01 55.94 1n89 n LEU 15 Cb 0.24 -0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.23 1n89 n LEU 15 CO 0.19 -0.03 0.52 0.77 -1.33 0.00 0.00 177.39 177.51 1n89 h SER 16 N 0.00 -1.01 -0.02 -1.43 4.64 -1.70 -3.48 113.55 110.56 1n89 h SER 16 Ca 0.00 0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1n89 h SER 16 Cb 0.00 0.32 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1n89 h SER 16 CO 0.00 -0.52 0.00 0.61 -0.87 0.00 0.00 176.83 176.05 1n89 n GLY 17 N -1.44 1.34 0.00 -0.77 0.00 0.98 -4.98 105.19 100.33 1n89 n GLY 17 Ca -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.40 -0.04 -3.53 4.61 0.00 -1.21 -4.92 120.51 115.02 1n89 n ALA 18 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1n89 n ALA 18 Cb 0.01 0.03 -0.07 0.00 0.00 0.00 0.00 19.45 19.43 1n89 n ALA 18 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1n89 s LYS 19 N -1.18 0.93 0.60 0.00 3.01 -1.26 -5.04 119.74 116.79 1n89 s LYS 19 Ca 0.00 0.51 -0.10 0.00 -1.01 0.00 0.00 55.97 55.37 1n89 s LYS 19 Cb 0.00 0.44 0.15 0.00 -1.01 0.00 0.00 37.83 37.41 1n89 s LYS 19 CO 0.00 -0.22 0.51 -0.35 0.51 0.00 0.00 175.35 175.80 1n89 n PRO 20 N 1.67 -2.14 -3.64 -1.68 -0.04 -1.26 -4.65 135.00 123.26 1n89 n PRO 20 Ca -0.17 -0.83 -0.05 0.00 -0.04 0.00 0.00 63.50 62.41 1n89 n PRO 20 Cb 0.56 -0.79 -0.07 0.00 -0.04 0.00 0.00 33.50 33.16 1n89 n PRO 20 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1n89 s SER 21 N -2.89 -0.26 0.56 3.54 1.04 -1.26 -5.02 113.70 109.41 1n89 s SER 21 Ca 0.34 0.48 0.24 0.00 0.48 0.00 0.00 55.95 57.49 1n89 s SER 21 Cb -0.03 0.58 1.53 0.00 0.10 0.00 0.00 66.02 68.19 1n89 s SER 21 CO 0.26 -0.08 2.13 1.23 0.98 0.00 0.00 173.24 177.76 1n89 h GLY 22 N 3.95 0.00 0.32 7.32 0.00 -2.01 -2.11 103.07 110.53 1n89 h GLY 22 Ca -0.28 0.00 0.13 0.00 0.00 0.00 0.00 47.33 47.18 1n89 h GLY 22 CO 0.15 0.00 0.41 -2.09 0.00 0.00 0.00 176.54 175.01 1n89 h GLU 23 N 0.00 0.60 -0.15 4.80 4.81 -2.00 0.14 114.58 122.78 1n89 h GLU 23 Ca 0.07 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1n89 h GLU 23 Cb 0.33 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 1n89 h GLU 23 CO -0.00 0.40 0.25 0.00 -0.73 0.00 0.00 179.01 178.93 1n89 h GLY 26 N -0.38 0.48 0.86 0.00 0.00 -1.10 -2.77 103.07 100.16 1n89 h GLY 26 Ca -0.09 -0.65 -0.04 0.00 0.00 0.00 0.00 47.33 46.55 1n89 h GLY 26 CO 0.11 0.58 -0.42 3.43 0.00 0.00 0.00 176.54 180.24 1n89 h ASN 27 N 0.31 -0.98 -0.61 0.19 4.21 -0.91 -2.66 115.58 115.12 1n89 h ASN 27 Ca -0.02 0.03 0.16 0.00 1.21 0.00 0.00 56.30 57.68 1n89 h ASN 27 Cb 1.26 0.25 -0.03 0.00 -1.12 0.00 0.00 38.32 38.68 1n89 h ASN 27 CO 0.12 -0.64 0.43 0.17 -1.29 0.00 0.00 177.43 176.22 1n89 h LEU 28 N -1.29 0.12 -0.27 1.61 8.10 -1.63 -1.16 115.31 120.79 1n89 h LEU 28 Ca -0.12 0.01 0.01 0.00 0.11 0.00 0.00 57.88 57.88 1n89 h LEU 28 Cb 0.89 -0.02 -0.02 0.00 -0.44 0.00 0.00 40.66 41.08 1n89 h LEU 28 CO 0.19 0.07 0.17 0.03 -4.11 0.00 0.00 178.44 174.79 1n89 h ARG 29 N 0.13 0.33 -0.57 0.17 -0.00 -1.24 -1.12 114.38 112.09 1n89 h ARG 29 Ca 0.29 -0.02 0.17 0.00 -0.50 0.00 0.00 59.98 59.92 1n89 h ARG 29 Cb 0.98 -0.07 -0.02 0.00 0.00 0.00 0.00 29.97 30.85 1n89 h ARG 29 CO -0.04 0.22 0.62 0.00 0.00 0.00 0.00 179.97 180.77 1n89 h ALA 30 N 1.11 2.33 -0.80 0.04 0.00 -0.86 -2.81 119.26 118.27 1n89 h ALA 30 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1n89 h ALA 30 Cb -0.02 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1n89 h ALA 30 CO -0.04 -0.91 0.00 1.04 0.00 0.00 0.00 179.25 179.34 1n89 n GLN 31 N -3.64 0.00 -1.31 0.00 6.02 -0.47 -4.87 117.38 113.12 1n89 n GLN 31 Ca 0.11 0.34 -0.08 0.00 -0.01 0.00 0.00 57.00 57.37 1n89 n GLN 31 Cb 0.83 -0.83 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 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 -1.64 -1.26 0.00 -1.09 7.27 -0.93 -4.46 117.38 115.26 1n89 n GLN 32 Ca 0.00 0.45 0.00 0.00 0.07 0.00 0.00 57.00 57.52 1n89 n GLN 32 Cb 0.00 -4.62 0.00 0.00 2.41 0.00 0.00 30.24 28.03 1n89 n GLN 32 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1n89 n GLY 33 N -0.18 -0.50 0.34 1.69 0.00 -1.26 -4.85 105.19 100.43 1n89 n GLY 33 Ca -0.08 0.13 0.03 0.00 0.00 0.00 0.00 46.02 46.10 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 0.83 0.70 -0.27 0.00 3.57 -1.88 -0.97 116.94 118.92 1n89 h PHE 35 Ca 0.25 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.71 1n89 h PHE 35 Cb -0.03 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.48 1n89 h PHE 35 CO -0.00 0.35 -0.10 0.00 -2.23 0.00 0.00 178.31 176.33 1n89 h GLN 37 N 0.42 0.63 0.00 0.00 4.20 -0.80 -0.41 115.11 119.16 1n89 h GLN 37 Ca 0.08 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.75 1n89 h GLN 37 Cb 0.43 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1n89 h GLN 37 CO 0.02 0.42 0.00 1.88 -0.67 0.00 0.00 178.83 180.48 1n89 h TYR 38 N 0.65 0.00 -1.07 2.96 0.05 -1.20 -2.85 116.97 115.50 1n89 h TYR 38 Ca 0.22 0.00 0.31 0.00 0.05 0.00 0.00 58.73 59.31 1n89 h TYR 38 Cb 0.07 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.77 1n89 h TYR 38 CO -0.00 0.00 0.84 0.00 -1.05 0.00 0.00 178.16 177.95 1n89 h ALA 39 N 2.07 2.98 0.00 3.88 0.00 -1.19 -2.30 119.26 124.70 1n89 h ALA 39 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1n89 h ALA 39 Cb 0.11 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1n89 h ALA 39 CO 0.00 -1.39 -1.08 1.63 0.00 0.00 0.00 179.25 178.41 1n89 n LYS 40 N -4.02 3.04 -1.59 0.00 5.02 -1.09 -4.99 118.16 114.54 1n89 n LYS 40 Ca 0.23 -0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 56.10 1n89 n LYS 40 Cb 1.19 -1.03 -0.03 0.00 -0.02 0.00 0.00 35.03 35.14 1n89 n LYS 40 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1n89 s ASP 41 N -2.95 5.19 -0.07 4.39 -1.08 -0.86 -4.84 116.67 116.45 1n89 s ASP 41 Ca -0.01 1.68 -0.00 0.00 -0.52 0.00 0.00 52.55 53.70 1n89 s ASP 41 Cb 0.00 -2.51 0.05 0.00 -1.46 0.00 0.00 42.92 39.01 1n89 s ASP 41 CO 0.05 -2.20 1.84 -0.81 0.52 0.00 0.00 175.17 174.57 1n89 n PRO 42 N 8.83 1.17 -0.11 4.34 -0.05 -1.26 -4.35 135.00 143.57 1n89 n PRO 42 Ca 0.32 -0.34 -0.08 0.00 -0.05 0.00 0.00 63.50 63.34 1n89 n PRO 42 Cb 0.48 -1.13 0.07 0.00 -0.05 0.00 0.00 33.50 32.86 1n89 n PRO 42 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 175.50 177.24 1n89 h THR 43 N 0.84 1.27 0.00 0.52 1.35 -1.92 -3.36 112.91 111.61 1n89 h THR 43 Ca 0.06 -1.31 -0.21 0.00 -0.55 0.00 0.00 66.41 64.40 1n89 h THR 43 Cb 1.02 1.14 -0.03 0.00 -1.73 0.00 0.00 68.15 68.55 1n89 h THR 43 CO 0.16 0.45 -1.62 -1.22 -0.25 0.00 0.00 175.52 173.04 1n89 n TYR 44 N -4.12 0.17 0.00 4.73 4.01 -1.26 -4.99 117.16 115.69 1n89 n TYR 44 Ca 0.00 0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 1n89 n TYR 44 Cb 0.42 -0.78 0.00 0.00 -0.31 0.00 0.00 39.34 38.68 1n89 n TYR 44 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1n89 n GLY 45 N 1.39 1.73 0.23 2.72 0.00 -1.26 -4.46 105.19 105.54 1n89 n GLY 45 Ca -0.32 -0.13 0.12 0.00 0.00 0.00 0.00 46.02 45.70 1n89 n GLY 45 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1n89 h GLN 46 N 0.00 0.00 0.00 1.61 4.20 -1.94 -2.60 115.11 116.38 1n89 h GLN 46 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1n89 h GLN 46 Cb 0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1n89 h GLN 46 CO 0.00 0.09 -0.00 -0.92 -0.67 0.00 0.00 178.83 177.33 1n89 h TYR 47 N 0.00 0.00 0.70 2.96 5.03 -1.94 -3.09 116.97 120.63 1n89 h TYR 47 Ca -0.00 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.27 1n89 h TYR 47 Cb 0.85 0.00 0.01 0.00 1.55 0.00 0.00 36.73 39.14 1n89 h TYR 47 CO 0.00 0.83 -0.34 0.82 -1.32 0.00 0.00 178.16 178.15 1n89 h ILE 48 N -1.00 0.09 -0.02 1.81 1.08 -1.93 -3.00 117.51 114.54 1n89 h ILE 48 Ca -0.00 -0.28 -0.01 0.00 -0.39 0.00 0.00 64.86 64.17 1n89 h ILE 48 Cb 0.83 0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 34.70 1n89 h ILE 48 CO -0.00 0.01 0.02 0.54 -0.69 0.00 0.00 178.15 178.03 1n89 n ARG 49 N -5.41 1.03 -2.85 2.37 1.74 -0.98 -4.80 116.66 107.76 1n89 n ARG 49 Ca -0.12 -0.07 -0.35 0.00 -0.77 0.00 0.00 57.85 56.54 1n89 n ARG 49 Cb 0.38 -1.03 -0.07 0.00 -1.02 0.00 0.00 32.46 30.73 1n89 n ARG 49 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1n89 s SER 50 N 1.05 7.09 -0.01 0.55 0.15 -1.14 -4.92 113.70 116.47 1n89 s SER 50 Ca 0.01 1.70 -0.19 0.00 0.70 0.00 0.00 55.95 58.18 1n89 s SER 50 Cb 0.01 -2.54 -0.34 0.00 -1.71 0.00 0.00 66.02 61.45 1n89 s SER 50 CO 0.00 -0.21 0.95 1.55 1.20 0.00 0.00 173.24 176.73 1n89 h PRO 51 N 2.51 0.44 0.01 5.44 0.13 -1.89 -3.30 132.00 135.33 1n89 h PRO 51 Ca -0.48 -0.75 -0.21 0.00 -0.87 0.00 0.00 66.00 63.69 1n89 h PRO 51 Cb 1.18 0.28 -0.03 0.00 0.13 0.00 0.00 31.00 32.56 1n89 h PRO 51 CO 0.63 1.36 -1.03 0.45 -0.23 0.00 0.00 178.00 179.18 1n89 h HIS 52 N -0.08 0.02 0.45 1.56 3.86 -1.87 -3.30 115.15 115.78 1n89 h HIS 52 Ca -0.21 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 58.97 1n89 h HIS 52 Cb 1.94 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.41 1n89 h HIS 52 CO 0.16 1.01 -0.25 0.00 0.86 0.00 0.00 177.93 179.71 1n89 h ALA 53 N 0.98 -0.65 -0.80 2.45 0.00 -1.83 -0.76 119.26 118.65 1n89 h ALA 53 Ca -0.02 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 54.89 1n89 h ALA 53 Cb 1.79 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 19.81 1n89 h ALA 53 CO 0.13 -0.87 0.53 0.00 0.00 0.00 0.00 179.25 179.04 1n89 h ARG 54 N -0.65 0.57 -0.36 0.00 3.08 -1.69 -0.36 114.38 114.96 1n89 h ARG 54 Ca -0.05 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 59.85 1n89 h ARG 54 Cb 0.52 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1n89 h ARG 54 CO 0.07 0.37 -0.22 0.22 -1.07 0.00 0.00 179.97 179.34 1n89 h ASP 55 N 0.58 0.82 0.08 7.04 3.58 -1.54 -0.24 116.42 126.74 1n89 h ASP 55 Ca 0.39 -0.42 -0.00 0.00 0.42 0.00 0.00 57.03 57.41 1n89 h ASP 55 Cb 0.70 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.52 1n89 h ASP 55 CO -0.15 1.07 -0.04 0.74 -2.88 0.00 0.00 179.24 177.98 1n89 h THR 56 N 0.58 0.95 -0.28 2.25 2.02 0.39 0.57 112.91 119.39 1n89 h THR 56 Ca 0.07 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1n89 h THR 56 Cb 0.78 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 1n89 h THR 56 CO 0.06 0.03 0.12 -0.07 0.37 0.00 0.00 175.52 176.03 1n89 h LEU 57 N -0.16 0.38 -0.66 2.58 4.07 -1.19 -2.71 115.31 117.63 1n89 h LEU 57 Ca -0.01 -0.15 -0.02 0.00 0.08 0.00 0.00 57.88 57.78 1n89 h LEU 57 Cb 0.13 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 41.74 1n89 h LEU 57 CO 0.02 0.43 0.33 0.74 -1.08 0.00 0.00 178.44 178.88 1n89 h THR 58 N 0.31 1.22 -1.00 0.22 2.02 -0.90 0.44 112.91 115.22 1n89 h THR 58 Ca 0.10 -0.60 0.18 0.00 0.77 0.00 0.00 66.41 66.86 1n89 h THR 58 Cb 0.16 0.40 -0.10 0.00 -1.74 0.00 0.00 68.15 66.87 1n89 h THR 58 CO -0.01 0.25 0.62 -1.28 0.37 0.00 0.00 175.52 175.47 1n89 h SER 59 N 0.90 0.77 0.62 4.18 0.87 0.38 0.11 113.55 121.39 1n89 h SER 59 Ca 0.23 0.09 -0.28 0.00 -1.23 0.00 0.00 61.79 60.60 1n89 h SER 59 Cb 0.09 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1n89 h SER 59 CO -0.03 0.30 -1.28 0.00 -0.53 0.00 0.00 176.83 175.29 1n89 n GLY 61 N 1.55 -0.38 0.11 0.00 0.00 0.15 -4.91 105.19 101.70 1n89 n GLY 61 Ca -0.09 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 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 -4.43 2.81 -3.74 0.99 -0.00 -1.25 -5.07 117.00 106.31 1n89 n LEU 62 Ca -0.19 -0.05 -0.10 0.00 -0.00 0.00 0.00 56.01 55.68 1n89 n LEU 62 Cb 0.63 -0.46 -0.06 0.00 -0.00 0.00 0.00 43.42 43.53 1n89 n LEU 62 CO 0.68 0.68 0.04 0.00 -0.00 0.00 0.00 177.39 178.79 1n89 s ALA 63 N -2.26 -0.62 0.13 1.47 0.00 -1.26 -5.14 121.76 114.07 1n89 s ALA 63 Ca -0.18 -0.26 -0.12 0.00 0.00 0.00 0.00 51.96 51.40 1n89 s ALA 63 Cb 0.05 0.55 0.01 0.00 0.00 0.00 0.00 23.12 23.73 1n89 s ALA 63 CO 0.30 -0.55 0.31 0.54 0.00 0.00 0.00 175.76 176.36 1n89 s VAL 64 N -3.60 0.09 0.00 0.00 0.11 -1.26 -4.74 120.40 111.00 1n89 s VAL 64 Ca 0.02 -0.99 0.00 0.00 -2.93 0.00 0.00 61.98 58.08 1n89 s VAL 64 Cb 0.03 -1.42 0.00 0.00 -1.53 0.00 0.00 36.38 33.45 1n89 s VAL 64 CO -0.10 -0.41 1.04 -0.81 -3.33 0.00 0.00 175.10 171.49 1n89 n PRO 65 N -0.18 0.89 -2.56 1.54 -0.04 -1.26 -3.70 135.00 129.69 1n89 n PRO 65 Ca -0.13 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.22 1n89 n PRO 65 Cb 0.63 -1.06 0.03 0.00 -0.04 0.00 0.00 33.50 33.07 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 0.73 1.85 0.00 0.54 8.25 -1.26 -4.79 115.22 120.54 1n89 n HIS 66 Ca 0.00 -2.40 0.00 0.00 -0.26 0.00 0.00 57.72 55.06 1n89 n HIS 66 Cb 0.44 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.28 1n89 n HIS 66 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98