#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 -0.10 2.89 -0.02 0.00 -0.21 -1.26 -4.81 119.66 116.15 1n89 s GLN 3 Ca 0.51 1.82 0.09 0.00 0.02 0.00 0.00 55.36 57.80 1n89 s GLN 3 Cb 0.16 -4.41 0.28 0.00 1.00 0.00 0.00 33.01 30.04 1n89 s GLN 3 CO -0.06 -2.38 1.19 0.00 -2.12 0.00 0.00 175.29 171.92 1n89 n ALA 4 N 12.61 2.57 -0.02 6.09 0.00 -1.26 -3.67 120.51 136.83 1n89 n ALA 4 Ca 0.31 -0.58 0.02 0.00 0.00 0.00 0.00 53.44 53.19 1n89 n ALA 4 Cb 0.47 -0.99 -0.09 0.00 0.00 0.00 0.00 19.45 18.85 1n89 n ALA 4 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1n89 n SER 5 N 0.37 2.44 0.03 0.00 7.64 -1.26 -4.19 113.62 118.66 1n89 n SER 5 Ca 0.10 0.00 0.09 0.00 1.01 0.00 0.00 58.87 60.08 1n89 n SER 5 Cb 0.33 1.27 0.40 0.00 -1.01 0.00 0.00 64.21 65.19 1n89 n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n89 n GLN 6 N -2.05 0.05 -0.00 1.43 1.13 -1.24 -2.73 117.38 113.97 1n89 n GLN 6 Ca -0.07 0.24 0.06 0.00 -1.94 0.00 0.00 57.00 55.30 1n89 n GLN 6 Cb 0.47 -1.59 -0.09 0.00 0.11 0.00 0.00 30.24 29.14 1n89 n GLN 6 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1n89 n LEU 7 N -1.69 0.12 -0.31 1.08 4.77 -1.26 -4.54 117.00 115.17 1n89 n LEU 7 Ca 0.04 -0.10 0.23 0.00 -0.03 0.00 0.00 56.01 56.15 1n89 n LEU 7 Cb 0.22 0.00 0.53 0.00 -2.33 0.00 0.00 43.42 41.85 1n89 n LEU 7 CO 0.18 0.03 1.23 0.00 -1.33 0.00 0.00 177.39 177.50 1n89 h ALA 8 N 1.26 2.31 0.00 -1.18 0.00 -1.68 0.86 119.26 120.84 1n89 h ALA 8 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1n89 h ALA 8 Cb 0.51 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1n89 h ALA 8 CO 0.00 -0.69 -0.11 -0.24 0.00 0.00 0.00 179.25 178.20 1n89 h VAL 9 N 0.36 0.52 0.05 0.00 3.04 -1.80 -2.28 116.25 116.14 1n89 h VAL 9 Ca 0.57 -0.52 -0.26 0.00 -1.01 0.00 0.00 66.70 65.48 1n89 h VAL 9 Cb 1.53 1.35 -0.02 0.00 -2.01 0.00 0.00 31.29 32.13 1n89 h VAL 9 CO -0.25 0.11 -1.30 0.00 -1.01 0.00 0.00 177.57 175.12 1n89 h ALA 11 N 0.82 3.52 -0.96 0.00 0.00 -0.87 0.61 119.26 122.39 1n89 h ALA 11 Ca -0.14 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 54.88 1n89 h ALA 11 Cb 1.90 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.73 1n89 h ALA 11 CO 0.14 -1.98 0.60 1.03 0.00 0.00 0.00 179.25 179.04 1n89 h SER 12 N 0.00 0.74 0.23 0.00 0.87 -1.69 0.70 113.55 114.40 1n89 h SER 12 Ca 0.77 0.06 -0.35 0.00 -1.23 0.00 0.00 61.79 61.04 1n89 h SER 12 Cb 3.07 -0.08 0.03 0.00 -0.44 0.00 0.00 62.40 64.97 1n89 h SER 12 CO -0.01 0.34 -1.61 0.00 -0.53 0.00 0.00 176.83 175.02 1n89 h ALA 13 N 1.60 -0.03 0.61 6.23 0.00 -0.04 -2.99 119.26 124.64 1n89 h ALA 13 Ca 0.50 -0.98 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1n89 h ALA 13 Cb 0.77 0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.87 1n89 h ALA 13 CO -0.27 0.83 -0.29 0.82 0.00 0.00 0.00 179.25 180.34 1n89 h ILE 14 N 0.13 0.16 0.00 0.00 5.03 -1.15 -2.91 117.51 118.77 1n89 h ILE 14 Ca -0.30 -0.36 0.00 0.00 -0.12 0.00 0.00 64.86 64.08 1n89 h ILE 14 Cb 2.15 0.23 0.00 0.00 -3.03 0.00 0.00 36.82 36.16 1n89 h ILE 14 CO 0.24 0.02 0.00 0.18 -0.68 0.00 0.00 178.15 177.91 1n89 n LEU 15 N -5.34 0.00 0.00 1.44 4.77 0.24 -4.53 117.00 113.57 1n89 n LEU 15 Ca -0.11 0.42 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1n89 n LEU 15 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1n89 n LEU 15 CO 0.29 0.00 0.12 -0.24 -1.33 0.00 0.00 177.39 176.23 1n89 n SER 16 N -0.56 0.00 0.00 -1.43 2.88 -1.22 -5.03 113.62 108.26 1n89 n SER 16 Ca 0.00 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 1n89 n SER 16 Cb 0.00 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.44 1n89 n SER 16 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1n89 n GLY 17 N 1.08 0.29 0.00 0.46 0.00 -1.10 -5.00 105.19 100.93 1n89 n GLY 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -0.08 -3.64 4.61 0.00 -1.25 -4.99 120.51 115.16 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 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.39 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 -1.31 0.23 1.09 0.00 0.00 -1.26 -5.09 119.74 113.40 1n89 s LYS 19 Ca 0.00 0.23 -0.15 0.00 0.00 0.00 0.00 55.97 56.05 1n89 s LYS 19 Cb 0.00 0.11 0.23 0.00 0.00 0.00 0.00 37.83 38.17 1n89 s LYS 19 CO 0.00 -0.04 0.52 -2.30 0.00 0.00 0.00 175.35 173.53 1n89 n PRO 20 N 1.60 -2.17 -3.64 1.78 -0.02 -1.26 -4.82 135.00 126.46 1n89 n PRO 20 Ca -0.10 -0.88 -0.05 0.00 -2.02 0.00 0.00 63.50 60.45 1n89 n PRO 20 Cb 0.57 -1.54 -0.07 0.00 -0.02 0.00 0.00 33.50 32.44 1n89 n PRO 20 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1n89 s SER 21 N -2.26 -0.22 0.59 2.55 0.15 -1.26 -5.02 113.70 108.24 1n89 s SER 21 Ca 0.40 0.42 0.30 0.00 0.70 0.00 0.00 55.95 57.77 1n89 s SER 21 Cb -0.07 0.45 1.73 0.00 -1.71 0.00 0.00 66.02 66.42 1n89 s SER 21 CO 0.34 -0.07 2.15 1.23 1.20 0.00 0.00 173.24 178.09 1n89 h GLY 22 N 3.65 0.00 0.53 9.45 0.00 -1.99 -2.31 103.07 112.39 1n89 h GLY 22 Ca -0.28 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.11 1n89 h GLY 22 CO 0.15 0.00 0.04 -2.09 0.00 0.00 0.00 176.54 174.65 1n89 h GLU 23 N 0.00 0.15 -0.72 4.80 4.22 -2.00 -1.20 114.58 119.83 1n89 h GLU 23 Ca 0.06 -0.01 0.07 0.00 0.08 0.00 0.00 59.36 59.56 1n89 h GLU 23 Cb 0.33 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 1n89 h GLU 23 CO -0.00 0.10 0.47 0.00 -2.18 0.00 0.00 179.01 177.40 1n89 h GLY 26 N 0.99 0.96 0.66 0.00 0.00 -0.60 -1.77 103.07 103.32 1n89 h GLY 26 Ca 0.20 -0.54 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 1n89 h GLY 26 CO 0.01 0.51 -0.32 3.43 0.00 0.00 0.00 176.54 180.17 1n89 h ASN 27 N 0.82 -0.76 -0.50 0.19 4.21 -1.35 -2.80 115.58 115.39 1n89 h ASN 27 Ca 0.19 0.03 0.15 0.00 1.21 0.00 0.00 56.30 57.88 1n89 h ASN 27 Cb 0.23 0.20 -0.02 0.00 -1.12 0.00 0.00 38.32 37.61 1n89 h ASN 27 CO -0.01 -0.43 0.55 0.17 -1.29 0.00 0.00 177.43 176.41 1n89 h LEU 28 N -1.12 0.00 0.59 1.61 8.10 -1.47 -1.09 115.31 121.94 1n89 h LEU 28 Ca -0.09 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 57.87 1n89 h LEU 28 Cb 0.68 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.91 1n89 h LEU 28 CO 0.15 0.00 -0.31 -0.09 -4.11 0.00 0.00 178.44 174.08 1n89 h ARG 29 N 0.00 -0.79 -0.61 0.17 2.43 -1.05 0.14 114.38 114.67 1n89 h ARG 29 Ca 0.24 0.05 0.18 0.00 -0.81 0.00 0.00 59.98 59.64 1n89 h ARG 29 Cb 1.33 0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 31.03 1n89 h ARG 29 CO -0.00 -0.53 0.66 0.00 -1.51 0.00 0.00 179.97 178.59 1n89 h ALA 30 N -0.42 2.39 -0.57 2.80 0.00 -1.11 -2.65 119.26 119.70 1n89 h ALA 30 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1n89 h ALA 30 Cb 0.64 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1n89 h ALA 30 CO 0.12 -0.97 0.00 1.04 0.00 0.00 0.00 179.25 179.43 1n89 n GLN 31 N -3.63 0.00 -1.30 0.00 6.02 -0.54 -4.88 117.38 113.06 1n89 n GLN 31 Ca 0.12 0.37 -0.07 0.00 -0.01 0.00 0.00 57.00 57.41 1n89 n GLN 31 Cb 0.88 -0.86 -0.03 0.00 1.02 0.00 0.00 30.24 31.25 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 -1.77 -1.25 0.00 -1.09 7.27 0.39 -4.45 117.38 116.48 1n89 n GLN 32 Ca 0.00 0.43 0.00 0.00 0.07 0.00 0.00 57.00 57.50 1n89 n GLN 32 Cb 0.00 -4.59 0.00 0.00 2.41 0.00 0.00 30.24 28.06 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 -0.17 -0.49 0.36 1.69 0.00 -1.26 -4.88 105.19 100.44 1n89 n GLY 33 Ca -0.07 0.14 0.02 0.00 0.00 0.00 0.00 46.02 46.11 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 1.03 0.83 -0.00 0.00 3.57 -1.90 0.82 116.94 121.28 1n89 h PHE 35 Ca 0.32 0.04 -0.20 0.00 3.53 0.00 0.00 57.97 61.66 1n89 h PHE 35 Cb 0.02 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 1n89 h PHE 35 CO -0.00 0.10 -0.86 0.00 -2.23 0.00 0.00 178.31 175.32 1n89 h GLN 37 N 0.12 0.33 0.00 0.00 4.20 0.20 -1.75 115.11 118.21 1n89 h GLN 37 Ca -0.04 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1n89 h GLN 37 Cb 1.48 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.21 1n89 h GLN 37 CO 0.13 0.34 0.04 1.88 -0.67 0.00 0.00 178.83 180.55 1n89 h TYR 38 N 0.32 0.00 -0.44 2.96 0.05 -0.32 -2.32 116.97 117.22 1n89 h TYR 38 Ca 0.08 0.00 0.13 0.00 0.05 0.00 0.00 58.73 58.98 1n89 h TYR 38 Cb 0.19 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.92 1n89 h TYR 38 CO 0.00 0.00 0.53 0.00 -1.05 0.00 0.00 178.16 177.65 1n89 h ALA 39 N 1.92 2.14 0.00 3.88 0.00 -1.47 -0.21 119.26 125.52 1n89 h ALA 39 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1n89 h ALA 39 Cb 0.08 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1n89 h ALA 39 CO 0.00 -0.76 -1.57 1.63 0.00 0.00 0.00 179.25 178.55 1n89 n LYS 40 N -3.57 0.79 -1.62 0.00 4.01 -0.87 -4.97 118.16 111.93 1n89 n LYS 40 Ca 0.08 -0.08 -0.43 0.00 -0.51 0.00 0.00 58.31 57.37 1n89 n LYS 40 Cb 0.71 -1.27 -0.03 0.00 -0.51 0.00 0.00 35.03 33.93 1n89 n LYS 40 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 1n89 n ASP 41 N -2.01 3.62 0.00 4.39 2.03 -0.09 -4.84 116.55 119.65 1n89 n ASP 41 Ca -0.06 0.51 0.10 0.00 0.52 0.00 0.00 54.79 55.87 1n89 n ASP 41 Cb 0.42 -1.53 0.62 0.00 -0.72 0.00 0.00 41.12 39.91 1n89 n ASP 41 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1n89 n PRO 42 N 8.20 0.97 -0.33 -0.67 -0.04 -1.26 -4.02 135.00 137.85 1n89 n PRO 42 Ca 0.26 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.83 1n89 n PRO 42 Cb 0.42 -1.33 0.29 0.00 -0.04 0.00 0.00 33.50 32.84 1n89 n PRO 42 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1n89 h THR 43 N 0.00 0.69 0.00 0.52 1.35 -1.93 -3.33 112.91 110.21 1n89 h THR 43 Ca 0.00 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.63 1n89 h THR 43 Cb 0.00 -0.05 0.00 0.00 -1.73 0.00 0.00 68.15 66.37 1n89 h THR 43 CO 0.00 0.12 -0.56 -1.22 -0.25 0.00 0.00 175.52 173.62 1n89 n TYR 44 N -4.83 0.00 0.00 4.73 4.02 -1.26 -5.00 117.16 114.83 1n89 n TYR 44 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.10 1n89 n TYR 44 Cb 0.54 -0.28 0.00 0.00 -0.02 0.00 0.00 39.34 39.58 1n89 n TYR 44 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1n89 n GLY 45 N 2.05 1.49 0.27 2.72 0.00 -1.25 -4.39 105.19 106.08 1n89 n GLY 45 Ca -0.08 -0.03 0.16 0.00 0.00 0.00 0.00 46.02 46.08 1n89 n GLY 45 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1n89 h GLN 46 N 0.00 0.00 -0.00 1.61 4.15 -1.92 -2.17 115.11 116.78 1n89 h GLN 46 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 1n89 h GLN 46 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1n89 h GLN 46 CO 0.00 0.03 -0.01 -0.92 -1.93 0.00 0.00 178.83 176.00 1n89 h TYR 47 N 0.00 0.01 0.19 3.99 5.03 -1.96 -3.00 116.97 121.23 1n89 h TYR 47 Ca -0.00 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.30 1n89 h TYR 47 Cb 0.55 -0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.83 1n89 h TYR 47 CO 0.00 0.75 -0.09 0.82 -1.32 0.00 0.00 178.16 178.31 1n89 h ILE 48 N -0.73 0.90 -0.03 1.81 1.08 -1.90 -3.09 117.51 115.54 1n89 h ILE 48 Ca -0.00 -0.79 -0.02 0.00 -0.39 0.00 0.00 64.86 63.66 1n89 h ILE 48 Cb 0.75 1.35 -0.01 0.00 -3.07 0.00 0.00 36.82 35.84 1n89 h ILE 48 CO 0.00 0.17 0.02 0.54 -0.69 0.00 0.00 178.15 178.19 1n89 n ARG 49 N -5.03 1.04 -2.84 2.37 1.74 -0.82 -4.77 116.66 108.35 1n89 n ARG 49 Ca -0.09 -0.10 -0.35 0.00 -0.77 0.00 0.00 57.85 56.55 1n89 n ARG 49 Cb 0.25 -1.04 -0.07 0.00 -1.02 0.00 0.00 32.46 30.58 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 0.98 7.08 0.09 0.55 0.15 -1.13 -4.94 113.70 116.49 1n89 s SER 50 Ca 0.02 1.70 -0.15 0.00 0.70 0.00 0.00 55.95 58.22 1n89 s SER 50 Cb 0.02 -2.54 -0.12 0.00 -1.71 0.00 0.00 66.02 61.67 1n89 s SER 50 CO 0.00 -0.22 1.36 1.55 1.20 0.00 0.00 173.24 177.14 1n89 h PRO 51 N 2.49 0.71 0.00 5.44 0.13 -1.90 -3.17 132.00 135.70 1n89 h PRO 51 Ca -0.48 -0.45 0.00 0.00 -0.87 0.00 0.00 66.00 64.20 1n89 h PRO 51 Cb 1.18 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1n89 h PRO 51 CO 0.63 1.07 -0.01 0.45 -0.23 0.00 0.00 178.00 179.91 1n89 h HIS 52 N 0.42 0.00 0.51 1.56 3.86 -1.88 -3.34 115.15 116.29 1n89 h HIS 52 Ca 0.01 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 1n89 h HIS 52 Cb 1.04 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.51 1n89 h HIS 52 CO 0.08 0.00 -0.29 0.00 0.86 0.00 0.00 177.93 178.59 1n89 h ALA 53 N 2.11 -0.75 -0.56 2.45 0.00 -1.85 -0.77 119.26 119.88 1n89 h ALA 53 Ca 0.00 -0.15 0.07 0.00 0.00 0.00 0.00 54.91 54.83 1n89 h ALA 53 Cb 0.95 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 19.04 1n89 h ALA 53 CO 0.00 -0.93 0.37 -0.09 0.00 0.00 0.00 179.25 178.60 1n89 h ARG 54 N -0.75 0.45 -0.04 0.00 2.43 -1.68 -0.74 114.38 114.05 1n89 h ARG 54 Ca -0.06 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 1n89 h ARG 54 Cb 0.60 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1n89 h ARG 54 CO 0.08 0.30 -0.00 0.22 -1.51 0.00 0.00 179.97 179.05 1n89 h ASP 55 N 0.46 0.07 -0.20 -3.80 1.82 -1.58 0.24 116.42 113.43 1n89 h ASP 55 Ca 0.25 -0.33 0.01 0.00 -0.39 0.00 0.00 57.03 56.56 1n89 h ASP 55 Cb 0.39 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.37 1n89 h ASP 55 CO -0.07 0.38 0.11 0.74 -1.61 0.00 0.00 179.24 178.80 1n89 h THR 56 N -0.25 1.02 -0.15 2.25 2.02 -0.49 0.61 112.91 117.90 1n89 h THR 56 Ca 0.01 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1n89 h THR 56 Cb 0.35 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1n89 h THR 56 CO 0.00 0.04 0.07 -0.07 0.37 0.00 0.00 175.52 175.93 1n89 h LEU 57 N 0.24 0.21 -0.65 2.58 4.07 -1.14 -2.68 115.31 117.93 1n89 h LEU 57 Ca 0.08 -0.15 -0.01 0.00 0.08 0.00 0.00 57.88 57.88 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 -0.04 0.30 0.35 0.74 -1.08 0.00 0.00 178.44 178.71 1n89 h THR 58 N 0.10 1.21 -0.97 0.22 2.02 -0.29 0.40 112.91 115.60 1n89 h THR 58 Ca 0.05 -0.53 0.20 0.00 0.77 0.00 0.00 66.41 66.91 1n89 h THR 58 Cb 0.15 0.36 -0.09 0.00 -1.74 0.00 0.00 68.15 66.84 1n89 h THR 58 CO -0.01 0.23 0.62 -1.28 0.37 0.00 0.00 175.52 175.45 1n89 h SER 59 N 0.89 0.60 0.31 4.18 0.87 0.41 0.12 113.55 120.94 1n89 h SER 59 Ca 0.23 0.07 -0.33 0.00 -1.23 0.00 0.00 61.79 60.53 1n89 h SER 59 Cb 0.05 -0.04 0.03 0.00 -0.44 0.00 0.00 62.40 62.00 1n89 h SER 59 CO -0.04 0.22 -1.48 0.00 -0.53 0.00 0.00 176.83 175.00 1n89 n GLY 61 N 1.71 -0.35 0.10 0.00 0.00 0.13 -4.94 105.19 101.83 1n89 n GLY 61 Ca -0.17 0.10 -0.04 0.00 0.00 0.00 0.00 46.02 45.91 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 -4.14 2.77 -4.02 0.99 -0.00 -1.26 -5.08 117.00 106.26 1n89 n LEU 62 Ca -0.29 -0.02 -0.12 0.00 -0.00 0.00 0.00 56.01 55.58 1n89 n LEU 62 Cb 0.67 -0.21 -0.04 0.00 -0.00 0.00 0.00 43.42 43.84 1n89 n LEU 62 CO 0.62 0.56 0.19 0.00 -0.00 0.00 0.00 177.39 178.76 1n89 s ALA 63 N -2.12 0.20 -0.02 1.47 0.00 -1.26 -5.18 121.76 114.85 1n89 s ALA 63 Ca -0.08 -1.18 -0.10 0.00 0.00 0.00 0.00 51.96 50.60 1n89 s ALA 63 Cb 0.02 1.07 0.01 0.00 0.00 0.00 0.00 23.12 24.22 1n89 s ALA 63 CO 0.14 -0.83 0.20 0.54 0.00 0.00 0.00 175.76 175.81 1n89 s VAL 64 N -3.36 0.06 0.00 0.00 0.11 -1.26 -4.76 120.40 111.19 1n89 s VAL 64 Ca 0.26 -0.50 0.00 0.00 -2.93 0.00 0.00 61.98 58.80 1n89 s VAL 64 Cb -0.01 -0.47 0.00 0.00 -1.53 0.00 0.00 36.38 34.37 1n89 s VAL 64 CO 0.15 -0.28 1.04 -0.81 -3.33 0.00 0.00 175.10 171.87 1n89 n PRO 65 N 1.67 0.79 -0.97 1.54 -0.04 -1.26 -3.39 135.00 133.35 1n89 n PRO 65 Ca -0.21 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.31 1n89 n PRO 65 Cb 0.56 -1.10 0.13 0.00 -0.04 0.00 0.00 33.50 33.05 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 0.91 0.00 1.78 0.54 8.25 -1.26 -4.73 115.22 120.70 1n89 n HIS 66 Ca 0.00 -1.05 0.15 0.00 -0.26 0.00 0.00 57.72 56.56 1n89 n HIS 66 Cb 0.40 -0.20 0.76 0.00 1.12 0.00 0.00 29.99 32.07 1n89 n HIS 66 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98