#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n89 s GLN 3 N 0.79 2.49 0.47 0.00 2.00 -1.26 -4.91 119.66 119.24 1n89 s GLN 3 Ca 0.57 1.71 0.20 0.00 -2.00 0.00 0.00 55.36 55.84 1n89 s GLN 3 Cb 0.17 -1.88 1.14 0.00 0.80 0.00 0.00 33.01 33.24 1n89 s GLN 3 CO -0.07 -1.55 1.99 0.00 -0.50 0.00 0.00 175.29 175.15 1n89 h ALA 4 N 0.08 1.41 -0.42 1.58 0.00 -2.01 -2.55 119.26 117.35 1n89 h ALA 4 Ca -0.48 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 54.37 1n89 h ALA 4 Cb 1.29 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 1n89 h ALA 4 CO 0.52 0.25 0.36 1.03 0.00 0.00 0.00 179.25 181.40 1n89 h SER 5 N 0.00 0.00 0.67 0.00 0.87 -1.99 0.46 113.55 113.55 1n89 h SER 5 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1n89 h SER 5 Cb 0.42 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1n89 h SER 5 CO 0.03 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.33 1n89 n GLN 6 N -4.08 0.12 -0.00 2.24 6.02 -0.96 -2.63 117.38 118.10 1n89 n GLN 6 Ca 0.07 0.35 0.06 0.00 -0.01 0.00 0.00 57.00 57.46 1n89 n GLN 6 Cb 0.54 -1.72 -0.09 0.00 1.02 0.00 0.00 30.24 29.99 1n89 n GLN 6 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1n89 n LEU 7 N -1.95 0.05 -0.08 1.08 4.77 0.15 -4.69 117.00 116.34 1n89 n LEU 7 Ca 0.03 -0.05 -0.13 0.00 -0.03 0.00 0.00 56.01 55.83 1n89 n LEU 7 Cb 0.21 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.21 1n89 n LEU 7 CO 0.18 0.01 0.50 0.00 -1.33 0.00 0.00 177.39 176.75 1n89 h ALA 8 N 1.09 -0.79 -0.54 -1.18 0.00 -1.12 0.29 119.26 117.02 1n89 h ALA 8 Ca 0.00 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.04 1n89 h ALA 8 Cb 0.50 1.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1n89 h ALA 8 CO 0.00 -1.00 0.54 -0.24 0.00 0.00 0.00 179.25 178.55 1n89 h VAL 9 N -0.43 0.36 -0.04 0.00 3.04 -1.84 0.56 116.25 117.90 1n89 h VAL 9 Ca 0.05 0.00 -0.14 0.00 -1.01 0.00 0.00 66.70 65.60 1n89 h VAL 9 Cb 0.57 0.58 -0.01 0.00 -2.01 0.00 0.00 31.29 30.41 1n89 h VAL 9 CO -0.48 0.00 -0.61 0.00 -1.01 0.00 0.00 177.57 175.47 1n89 h ALA 11 N 1.26 3.26 -1.07 0.00 0.00 0.79 0.31 119.26 123.80 1n89 h ALA 11 Ca -0.01 -0.05 0.30 0.00 0.00 0.00 0.00 54.91 55.15 1n89 h ALA 11 Cb 1.10 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 1n89 h ALA 11 CO 0.09 -1.76 0.75 1.03 0.00 0.00 0.00 179.25 179.35 1n89 h SER 12 N 0.00 0.14 0.13 0.00 0.87 -1.68 0.93 113.55 113.94 1n89 h SER 12 Ca 0.64 0.03 -0.36 0.00 -1.23 0.00 0.00 61.79 60.87 1n89 h SER 12 Cb 2.77 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 64.68 1n89 h SER 12 CO -0.01 0.03 -2.19 0.00 -0.53 0.00 0.00 176.83 174.13 1n89 n ALA 13 N -2.66 1.37 0.09 6.23 0.00 0.11 -1.24 120.51 124.41 1n89 n ALA 13 Ca 0.24 -1.01 -0.06 0.00 0.00 0.00 0.00 53.44 52.60 1n89 n ALA 13 Cb 1.06 -0.40 -0.03 0.00 0.00 0.00 0.00 19.45 20.08 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 0.01 0.14 0.00 0.00 5.03 -1.02 -3.07 117.51 118.61 1n89 h ILE 14 Ca -0.48 -0.83 0.00 0.00 -0.12 0.00 0.00 64.86 63.44 1n89 h ILE 14 Cb 2.06 0.25 0.00 0.00 -3.03 0.00 0.00 36.82 36.10 1n89 h ILE 14 CO 0.02 0.04 0.00 0.18 -0.68 0.00 0.00 178.15 177.71 1n89 n LEU 15 N -4.99 0.95 -0.02 1.44 4.77 0.31 -4.34 117.00 115.10 1n89 n LEU 15 Ca -0.05 0.42 -0.10 0.00 -0.03 0.00 0.00 56.01 56.25 1n89 n LEU 15 Cb 0.16 -0.28 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 1n89 n LEU 15 CO 0.13 -0.28 0.65 -1.28 -1.33 0.00 0.00 177.39 175.27 1n89 h SER 16 N 0.00 -1.00 0.00 -1.43 0.87 -1.59 -3.47 113.55 106.93 1n89 h SER 16 Ca 0.00 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1n89 h SER 16 Cb 0.00 0.43 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1n89 h SER 16 CO 0.00 -0.34 0.00 0.61 -0.53 0.00 0.00 176.83 176.57 1n89 n GLY 17 N -1.41 0.97 0.00 5.77 0.00 -0.37 -4.98 105.19 105.17 1n89 n GLY 17 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.08 -0.07 -3.60 4.61 0.00 -0.85 -4.95 120.51 114.56 1n89 n ALA 18 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1n89 n ALA 18 Cb 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.99 0.89 0.00 0.00 0.00 -1.26 -5.01 119.74 113.37 1n89 s LYS 19 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 55.97 55.56 1n89 s LYS 19 Cb 0.00 0.36 0.00 0.00 0.00 0.00 0.00 37.83 38.19 1n89 s LYS 19 CO 0.00 -0.40 0.00 -2.30 0.00 0.00 0.00 175.35 172.65 1n89 n PRO 20 N -0.33 0.37 -3.64 1.78 -0.02 -1.26 -4.13 135.00 127.77 1n89 n PRO 20 Ca -0.07 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.36 1n89 n PRO 20 Cb 0.61 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 34.02 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 -2.03 -0.31 0.36 2.55 0.01 -1.26 -4.92 113.70 108.11 1n89 s SER 21 Ca 0.00 0.56 0.04 0.00 1.31 0.00 0.00 55.95 57.86 1n89 s SER 21 Cb 0.00 0.74 0.69 0.00 0.21 0.00 0.00 66.02 67.66 1n89 s SER 21 CO 0.00 -0.09 1.99 1.23 0.41 0.00 0.00 173.24 176.77 1n89 h GLY 22 N 4.38 0.71 0.68 3.44 0.00 -2.01 -2.81 103.07 107.46 1n89 h GLY 22 Ca -0.28 -0.31 0.03 0.00 0.00 0.00 0.00 47.33 46.78 1n89 h GLY 22 CO 0.16 0.30 -0.07 -2.09 0.00 0.00 0.00 176.54 174.84 1n89 h GLU 23 N 0.67 -0.06 -0.20 4.80 4.81 -2.00 -1.05 114.58 121.56 1n89 h GLU 23 Ca 0.17 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.47 1n89 h GLU 23 Cb 0.03 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1n89 h GLU 23 CO -0.03 -0.04 0.20 0.00 -0.73 0.00 0.00 179.01 178.41 1n89 h GLY 26 N -0.58 1.36 0.93 0.00 0.00 -1.04 -2.86 103.07 100.87 1n89 h GLY 26 Ca -0.01 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.79 1n89 h GLY 26 CO 0.02 0.49 -0.34 3.43 0.00 0.00 0.00 176.54 180.14 1n89 h ASN 27 N 1.29 -0.83 -1.12 0.19 2.35 -1.44 -2.29 115.58 113.74 1n89 h ASN 27 Ca 0.36 0.04 0.32 0.00 -0.55 0.00 0.00 56.30 56.47 1n89 h ASN 27 Cb -0.14 0.23 -0.05 0.00 0.05 0.00 0.00 38.32 38.41 1n89 h ASN 27 CO -0.08 -0.55 0.80 0.25 -1.65 0.00 0.00 177.43 176.20 1n89 h LEU 28 N -0.89 0.06 0.26 1.61 6.46 -1.32 -0.76 115.31 120.73 1n89 h LEU 28 Ca -0.08 0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.68 1n89 h LEU 28 Cb 0.70 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.64 1n89 h LEU 28 CO 0.11 0.01 -0.13 0.03 -0.62 0.00 0.00 178.44 177.84 1n89 h ARG 29 N 0.05 -0.34 -0.52 1.25 -0.00 -1.19 -0.50 114.38 113.13 1n89 h ARG 29 Ca 0.55 0.02 0.15 0.00 -0.50 0.00 0.00 59.98 60.20 1n89 h ARG 29 Cb 2.08 0.08 -0.02 0.00 0.00 0.00 0.00 29.97 32.11 1n89 h ARG 29 CO -0.05 -0.03 0.62 0.00 0.00 0.00 0.00 179.97 180.51 1n89 h ALA 30 N -0.05 2.25 -0.48 0.04 0.00 -0.95 -2.58 119.26 117.50 1n89 h ALA 30 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1n89 h ALA 30 Cb 0.47 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1n89 h ALA 30 CO 0.06 -0.88 0.00 1.04 0.00 0.00 0.00 179.25 179.46 1n89 n GLN 31 N -3.53 0.00 -1.41 0.00 6.02 -0.96 -4.88 117.38 112.62 1n89 n GLN 31 Ca 0.10 0.40 -0.07 0.00 -0.01 0.00 0.00 57.00 57.42 1n89 n GLN 31 Cb 0.81 -0.89 -0.02 0.00 1.02 0.00 0.00 30.24 31.16 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 -1.79 -1.39 0.00 -1.09 -0.06 -0.24 -4.20 117.38 108.61 1n89 n GLN 32 Ca 0.00 0.38 0.00 0.00 -2.00 0.00 0.00 57.00 55.38 1n89 n GLN 32 Cb 0.00 -4.58 0.00 0.00 -4.06 0.00 0.00 30.24 21.60 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 -0.22 0.00 0.00 1.69 0.00 -1.26 -5.02 105.19 100.38 1n89 n GLY 33 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.13 -1.12 0.00 -0.00 -1.92 -2.25 116.94 110.53 1n89 h PHE 35 Ca 0.00 -0.01 0.31 0.00 -0.00 0.00 0.00 57.97 58.27 1n89 h PHE 35 Cb 0.25 0.41 -0.08 0.00 -0.00 0.00 0.00 35.95 36.53 1n89 h PHE 35 CO 0.00 -0.62 0.76 0.00 -0.00 0.00 0.00 178.31 178.45 1n89 h GLN 37 N 0.20 0.40 0.00 0.00 4.20 -1.72 0.34 115.11 118.54 1n89 h GLN 37 Ca 0.60 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.28 1n89 h GLN 37 Cb 1.91 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 29.59 1n89 h GLN 37 CO -0.18 0.27 -0.04 1.88 -0.67 0.00 0.00 178.83 180.09 1n89 h TYR 38 N 0.42 0.00 -0.06 2.96 0.05 -0.36 -2.66 116.97 117.31 1n89 h TYR 38 Ca 0.36 0.00 0.02 0.00 0.05 0.00 0.00 58.73 59.16 1n89 h TYR 38 Cb 0.82 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.55 1n89 h TYR 38 CO -0.00 0.04 0.20 0.00 -1.05 0.00 0.00 178.16 177.35 1n89 h ALA 39 N 1.96 1.39 0.00 3.88 0.00 -0.40 -0.15 119.26 125.94 1n89 h ALA 39 Ca -0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1n89 h ALA 39 Cb 0.34 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1n89 h ALA 39 CO 0.00 -0.24 -1.93 1.17 0.00 0.00 0.00 179.25 178.26 1n89 n LYS 40 N -3.22 0.64 -2.24 0.00 4.81 -1.00 -4.91 118.16 112.23 1n89 n LYS 40 Ca -0.01 -0.16 -0.42 0.00 -0.87 0.00 0.00 58.31 56.85 1n89 n LYS 40 Cb 0.28 -1.46 -0.03 0.00 0.02 0.00 0.00 35.03 33.84 1n89 n LYS 40 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1n89 s ASP 41 N -4.35 6.88 0.02 3.14 2.15 -0.07 -4.94 116.67 119.51 1n89 s ASP 41 Ca -0.07 2.15 -0.18 0.00 0.43 0.00 0.00 52.55 54.88 1n89 s ASP 41 Cb 0.12 -2.57 -0.25 0.00 -0.30 0.00 0.00 42.92 39.92 1n89 s ASP 41 CO 0.80 -0.66 1.11 1.55 -0.17 0.00 0.00 175.17 177.80 1n89 h PRO 42 N 7.39 0.51 -1.00 4.34 0.13 -1.92 -2.81 132.00 138.64 1n89 h PRO 42 Ca -0.39 -0.58 0.07 0.00 -0.87 0.00 0.00 66.00 64.22 1n89 h PRO 42 Cb 1.19 0.17 -0.07 0.00 0.13 0.00 0.00 31.00 32.43 1n89 h PRO 42 CO 0.88 1.21 0.64 1.79 -0.23 0.00 0.00 178.00 182.29 1n89 h THR 43 N 0.05 1.08 -0.50 1.56 1.35 -1.95 -0.29 112.91 114.22 1n89 h THR 43 Ca -0.11 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1n89 h THR 43 Cb 1.52 -0.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1n89 h THR 43 CO 0.16 0.21 0.00 -1.22 -0.25 0.00 0.00 175.52 174.42 1n89 n TYR 44 N -4.51 1.24 0.21 4.73 4.01 -1.24 -4.28 117.16 117.32 1n89 n TYR 44 Ca 0.15 -0.48 0.08 0.00 -0.16 0.00 0.00 57.90 57.50 1n89 n TYR 44 Cb 0.19 -0.24 0.45 0.00 -0.31 0.00 0.00 39.34 39.43 1n89 n TYR 44 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1n89 h GLY 45 N 4.48 0.00 2.00 2.72 0.00 -0.76 -2.80 103.07 108.71 1n89 h GLY 45 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1n89 h GLY 45 CO 0.21 0.00 -0.44 1.46 0.00 0.00 0.00 176.54 177.77 1n89 h GLN 46 N 0.00 0.00 -0.06 4.80 4.20 -1.75 -1.68 115.11 120.62 1n89 h GLN 46 Ca -0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 1n89 h GLN 46 Cb 0.74 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.52 1n89 h GLN 46 CO 0.03 0.44 -0.30 -0.92 -0.67 0.00 0.00 178.83 177.41 1n89 h TYR 47 N 0.00 0.42 -0.01 2.96 3.20 -1.81 -3.27 116.97 118.46 1n89 h TYR 47 Ca -0.00 -0.19 -0.12 0.00 3.14 0.00 0.00 58.73 61.56 1n89 h TYR 47 Cb 0.91 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.10 1n89 h TYR 47 CO 0.00 0.92 -0.57 0.82 -1.64 0.00 0.00 178.16 177.69 1n89 h ILE 48 N -0.19 1.40 -0.03 1.81 2.04 -1.52 -3.01 117.51 118.02 1n89 h ILE 48 Ca -0.02 -1.94 -0.01 0.00 1.00 0.00 0.00 64.86 63.89 1n89 h ILE 48 Cb 0.96 2.03 -0.00 0.00 -0.74 0.00 0.00 36.82 39.07 1n89 h ILE 48 CO 0.06 0.56 0.01 0.54 0.00 0.00 0.00 178.15 179.32 1n89 n ARG 49 N -3.87 1.12 -2.88 2.37 5.12 -0.64 -4.81 116.66 113.07 1n89 n ARG 49 Ca -0.01 -0.11 -0.33 0.00 -1.93 0.00 0.00 57.85 55.46 1n89 n ARG 49 Cb 0.58 -1.39 -0.07 0.00 -1.16 0.00 0.00 32.46 30.42 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 0.24 6.91 0.02 0.55 0.15 -1.14 -5.00 113.70 115.44 1n89 s SER 50 Ca 0.02 1.61 -0.19 0.00 0.70 0.00 0.00 55.95 58.09 1n89 s SER 50 Cb 0.02 -2.51 -0.19 0.00 -1.71 0.00 0.00 66.02 61.63 1n89 s SER 50 CO 0.01 -0.33 1.20 1.55 1.20 0.00 0.00 173.24 176.87 1n89 h PRO 51 N 1.99 0.43 0.00 5.44 0.13 -1.89 -3.25 132.00 134.86 1n89 h PRO 51 Ca -0.49 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.29 1n89 h PRO 51 Cb 1.18 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1n89 h PRO 51 CO 0.62 0.99 -0.03 0.45 -0.23 0.00 0.00 178.00 179.80 1n89 h HIS 52 N -0.02 0.00 -0.36 1.56 3.86 -1.90 -3.33 115.15 114.96 1n89 h HIS 52 Ca -0.03 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.24 1n89 h HIS 52 Cb 1.08 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.49 1n89 h HIS 52 CO 0.12 0.00 0.01 0.00 0.86 0.00 0.00 177.93 178.92 1n89 h ALA 53 N 2.32 0.33 -0.87 2.45 0.00 -1.81 -0.50 119.26 121.19 1n89 h ALA 53 Ca 0.00 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1n89 h ALA 53 Cb 0.84 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1n89 h ALA 53 CO 0.00 -0.39 0.57 0.00 0.00 0.00 0.00 179.25 179.43 1n89 h ARG 54 N 0.11 1.04 -0.44 0.00 3.08 -1.71 -1.80 114.38 114.66 1n89 h ARG 54 Ca 0.17 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 1n89 h ARG 54 Cb 0.24 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1n89 h ARG 54 CO -0.28 0.69 -0.07 0.22 -1.07 0.00 0.00 179.97 179.45 1n89 h ASP 55 N 1.07 0.82 -0.29 7.04 1.82 -1.48 -1.98 116.42 123.42 1n89 h ASP 55 Ca 0.35 -0.35 0.01 0.00 -0.39 0.00 0.00 57.03 56.66 1n89 h ASP 55 Cb 0.05 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 39.82 1n89 h ASP 55 CO -0.11 0.98 0.16 0.74 -1.61 0.00 0.00 179.24 179.40 1n89 h THR 56 N 0.65 1.01 -0.01 2.25 2.02 -0.47 0.45 112.91 118.81 1n89 h THR 56 Ca 0.11 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1n89 h THR 56 Cb 0.60 0.65 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1n89 h THR 56 CO 0.04 0.06 0.01 -0.07 0.37 0.00 0.00 175.52 175.92 1n89 h LEU 57 N 0.33 0.02 -0.64 2.58 4.07 -1.28 -2.41 115.31 117.97 1n89 h LEU 57 Ca 0.12 -0.06 -0.02 0.00 0.08 0.00 0.00 57.88 57.99 1n89 h LEU 57 Cb 0.02 -0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.72 1n89 h LEU 57 CO -0.07 0.08 0.33 0.74 -1.08 0.00 0.00 178.44 178.44 1n89 h THR 58 N -0.04 1.21 -0.86 0.22 2.02 -1.15 -0.28 112.91 114.03 1n89 h THR 58 Ca 0.00 -0.57 0.20 0.00 0.77 0.00 0.00 66.41 66.81 1n89 h THR 58 Cb 0.06 0.41 -0.06 0.00 -1.74 0.00 0.00 68.15 66.83 1n89 h THR 58 CO -0.00 0.24 0.58 -1.28 0.37 0.00 0.00 175.52 175.43 1n89 h SER 59 N 0.88 0.33 0.74 4.18 0.87 0.13 0.37 113.55 121.05 1n89 h SER 59 Ca 0.22 0.03 -0.26 0.00 -1.23 0.00 0.00 61.79 60.56 1n89 h SER 59 Cb 0.08 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1n89 h SER 59 CO -0.03 0.14 -1.18 0.00 -0.53 0.00 0.00 176.83 175.23 1n89 n GLY 61 N 1.48 -0.32 0.00 0.00 0.00 0.13 -5.02 105.19 101.46 1n89 n GLY 61 Ca -0.06 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.85 0.00 -3.73 0.99 -0.00 -1.25 -5.08 117.00 105.08 1n89 n LEU 62 Ca -0.11 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.80 1n89 n LEU 62 Cb 0.60 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.96 1n89 n LEU 62 CO 0.40 0.00 0.05 0.00 -0.00 0.00 0.00 177.39 177.84 1n89 s ALA 63 N -2.81 -0.63 -0.08 1.47 0.00 -1.26 -5.14 121.76 113.30 1n89 s ALA 63 Ca 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 51.96 51.69 1n89 s ALA 63 Cb 0.00 0.58 -0.03 0.00 0.00 0.00 0.00 23.12 23.67 1n89 s ALA 63 CO 0.00 -0.57 -0.06 0.54 0.00 0.00 0.00 175.76 175.67 1n89 s VAL 64 N -3.74 3.81 0.00 0.00 0.11 -1.26 -4.90 120.40 114.42 1n89 s VAL 64 Ca 0.03 -0.43 0.00 0.00 -2.93 0.00 0.00 61.98 58.65 1n89 s VAL 64 Cb 0.03 -2.58 0.00 0.00 -1.53 0.00 0.00 36.38 32.30 1n89 s VAL 64 CO -0.11 0.59 0.00 -0.81 -3.33 0.00 0.00 175.10 171.44 1n89 n PRO 65 N 2.38 1.30 -2.66 1.54 -0.04 -1.26 -4.35 135.00 131.90 1n89 n PRO 65 Ca -0.18 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.07 1n89 n PRO 65 Cb 0.53 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.00 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 -0.86 -1.42 0.00 0.54 8.25 -1.26 -5.09 115.22 115.38 1n89 n HIS 66 Ca 0.00 0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 1n89 n HIS 66 Cb 0.00 -4.07 0.00 0.00 1.12 0.00 0.00 29.99 27.04 1n89 n HIS 66 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98