#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t4a s LYS 3 N 0.00 2.63 -0.28 -0.72 2.20 -0.03 -0.18 119.74 123.36 1t4a s LYS 3 Ca 0.00 -1.10 -0.11 0.00 -0.36 0.00 0.00 55.97 54.41 1t4a s LYS 3 Cb 0.00 -2.87 -0.04 0.00 -1.51 0.00 0.00 37.83 33.41 1t4a s LYS 3 CO 0.00 -0.43 0.18 0.08 -0.36 0.00 0.00 175.35 174.81 1t4a s VAL 4 N 1.23 5.13 -0.23 4.02 1.01 0.20 -1.98 120.40 129.78 1t4a s VAL 4 Ca -0.02 0.06 -0.14 0.00 0.00 0.00 0.00 61.98 61.88 1t4a s VAL 4 Cb -0.17 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1t4a s VAL 4 CO -0.06 0.23 0.32 -0.54 0.00 0.00 0.00 175.10 175.05 1t4a s LYS 5 N 1.73 4.11 -0.08 2.72 1.02 -0.35 -0.49 119.74 128.39 1t4a s LYS 5 Ca 0.07 0.02 0.05 0.00 0.02 0.00 0.00 55.97 56.12 1t4a s LYS 5 Cb -0.16 -3.56 -0.00 0.00 -0.52 0.00 0.00 37.83 33.58 1t4a s LYS 5 CO 0.10 -0.06 -0.23 0.08 -0.92 0.00 0.00 175.35 174.31 1t4a s VAL 6 N 1.40 1.99 -0.25 3.17 1.01 -1.26 -1.77 120.40 124.69 1t4a s VAL 6 Ca 0.15 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 1t4a s VAL 6 Cb -0.15 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.54 1t4a s VAL 6 CO 0.07 0.55 -0.04 -0.31 0.00 0.00 0.00 175.10 175.37 1t4a s TYR 7 N 0.20 3.04 -0.22 5.22 1.51 -0.05 -4.30 117.35 122.75 1t4a s TYR 7 Ca -0.14 -1.34 -0.05 0.00 -1.01 0.00 0.00 57.07 54.53 1t4a s TYR 7 Cb -0.16 -2.09 -0.02 0.00 -0.11 0.00 0.00 41.96 39.58 1t4a s TYR 7 CO 0.07 -0.67 -0.00 0.08 -1.11 0.00 0.00 175.55 173.92 1t4a s VAL 8 N 1.38 3.75 0.00 0.71 1.01 0.56 -2.18 120.40 125.63 1t4a s VAL 8 Ca 0.02 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.60 1t4a s VAL 8 Cb -0.16 -2.72 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 1t4a s VAL 8 CO -0.04 0.40 0.06 -0.94 0.00 0.00 0.00 175.10 174.59 1t4a s SER 9 N 1.41 0.10 0.41 3.32 1.04 -0.87 -0.14 113.70 118.96 1t4a s SER 9 Ca 0.05 -0.27 -0.27 0.00 0.48 0.00 0.00 55.95 55.94 1t4a s SER 9 Cb -0.15 0.16 -0.10 0.00 0.10 0.00 0.00 66.02 66.03 1t4a s SER 9 CO -0.00 -0.29 1.47 -0.76 0.98 0.00 0.00 173.24 174.64 1t4a s LEU 10 N -1.19 4.23 0.62 2.42 1.43 -1.26 0.30 118.68 125.24 1t4a s LEU 10 Ca -0.13 3.02 -0.19 0.00 -1.03 0.00 0.00 54.13 55.80 1t4a s LEU 10 Cb -0.07 -3.77 -0.02 0.00 0.03 0.00 0.00 46.19 42.35 1t4a s LEU 10 CO 0.00 -1.01 1.32 -0.54 0.23 0.00 0.00 176.35 176.35 1t4a s LYS 11 N -2.25 2.71 0.25 1.70 1.02 0.28 -4.69 119.74 118.76 1t4a s LYS 11 Ca 0.56 2.12 -0.05 0.00 0.02 0.00 0.00 55.97 58.62 1t4a s LYS 11 Cb -0.46 -1.96 0.48 0.00 -0.52 0.00 0.00 37.83 35.37 1t4a s LYS 11 CO 0.61 -1.49 1.64 1.49 -0.92 0.00 0.00 175.35 176.67 1t4a h GLU 12 N 0.80 0.12 0.00 1.68 4.81 -1.91 0.13 114.58 120.20 1t4a h GLU 12 Ca -0.51 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 1t4a h GLU 12 Cb 1.33 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.68 1t4a h GLU 12 CO 0.54 0.08 0.00 -1.13 -0.73 0.00 0.00 179.01 177.77 1t4a n SER 13 N -5.32 0.00 -4.70 1.04 3.41 -1.26 -4.75 113.62 102.04 1t4a n SER 13 Ca 0.15 -0.88 -0.35 0.00 -0.26 0.00 0.00 58.87 57.53 1t4a n SER 13 Cb 0.51 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.37 1t4a n SER 13 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1t4a s VAL 14 N -2.00 5.29 0.38 -3.33 1.01 0.45 -5.08 120.40 117.12 1t4a s VAL 14 Ca 0.35 0.15 -0.26 0.00 0.00 0.00 0.00 61.98 62.22 1t4a s VAL 14 Cb 0.16 -3.42 -0.09 0.00 0.00 0.00 0.00 36.38 33.03 1t4a s VAL 14 CO 0.27 0.42 1.14 -0.76 0.00 0.00 0.00 175.10 176.17 1t4a s LEU 15 N 0.54 4.24 -0.65 3.92 1.43 -1.26 -4.75 118.68 122.15 1t4a s LEU 15 Ca 0.07 2.28 0.02 0.00 -1.03 0.00 0.00 54.13 55.47 1t4a s LEU 15 Cb -0.12 -3.99 0.16 0.00 0.03 0.00 0.00 46.19 42.28 1t4a s LEU 15 CO -0.00 -0.56 0.44 -0.62 0.23 0.00 0.00 176.35 175.84 1t4a s ASP 16 N -1.17 4.93 0.52 2.29 2.15 -1.26 -4.95 116.67 119.19 1t4a s ASP 16 Ca 0.55 -3.29 0.18 0.00 0.43 0.00 0.00 52.55 50.43 1t4a s ASP 16 Cb -0.29 -1.74 1.34 0.00 -0.30 0.00 0.00 42.92 41.93 1t4a s ASP 16 CO 0.37 -0.22 2.15 1.55 -0.17 0.00 0.00 175.17 178.85 1t4a h PRO 17 N 6.29 0.00 -0.10 4.34 0.13 -1.95 -0.18 132.00 140.54 1t4a h PRO 17 Ca 0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.15 1t4a h PRO 17 Cb 0.86 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.99 1t4a h PRO 17 CO 0.73 0.02 0.02 0.37 -0.23 0.00 0.00 178.00 178.91 1t4a h GLN 18 N 0.00 0.16 -0.56 0.86 4.15 -1.95 -1.17 115.11 116.59 1t4a h GLN 18 Ca -0.00 -0.04 -0.11 0.00 0.77 0.00 0.00 58.65 59.27 1t4a h GLN 18 Cb 0.04 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 1t4a h GLN 18 CO 0.00 0.35 -0.07 0.78 -1.93 0.00 0.00 178.83 177.96 1t4a h GLY 19 N -0.06 1.12 1.56 2.39 0.00 -1.64 -2.10 103.07 104.35 1t4a h GLY 19 Ca 0.03 -0.88 0.03 0.00 0.00 0.00 0.00 47.33 46.51 1t4a h GLY 19 CO 0.00 0.81 0.24 0.23 0.00 0.00 0.00 176.54 177.81 1t4a h SER 20 N 0.92 0.32 -0.03 0.19 0.87 -0.89 0.37 113.55 115.31 1t4a h SER 20 Ca 0.15 -0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.47 1t4a h SER 20 Cb 0.63 -0.08 0.02 0.00 -0.44 0.00 0.00 62.40 62.54 1t4a h SER 20 CO 0.04 0.22 -0.92 0.00 -0.53 0.00 0.00 176.83 175.65 1t4a h ALA 21 N 1.80 0.15 -0.66 6.23 0.00 -0.90 -2.53 119.26 123.35 1t4a h ALA 21 Ca 0.14 -0.66 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 1t4a h ALA 21 Cb 0.11 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1t4a h ALA 21 CO -0.03 0.63 0.10 0.28 0.00 0.00 0.00 179.25 180.22 1t4a h VAL 22 N 0.34 1.26 -0.70 0.00 2.07 -0.65 -2.41 116.25 116.16 1t4a h VAL 22 Ca -0.11 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 1t4a h VAL 22 Cb 1.58 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 1t4a h VAL 22 CO 0.18 0.39 0.42 -0.61 0.02 0.00 0.00 177.57 177.97 1t4a h GLN 23 N 1.02 0.96 -0.24 1.57 4.15 -0.27 -1.07 115.11 121.22 1t4a h GLN 23 Ca 0.20 -0.09 0.01 0.00 0.77 0.00 0.00 58.65 59.54 1t4a h GLN 23 Cb 0.45 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 1t4a h GLN 23 CO 0.01 0.69 0.14 1.25 -1.93 0.00 0.00 178.83 178.99 1t4a h HIS 24 N 0.96 0.26 -0.44 3.99 2.76 -1.19 -0.70 115.15 120.79 1t4a h HIS 24 Ca 0.25 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.42 1t4a h HIS 24 Cb -0.02 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 28.84 1t4a h HIS 24 CO -0.01 0.15 0.22 0.00 -1.30 0.00 0.00 177.93 176.99 1t4a h ALA 25 N 1.11 0.57 -0.84 5.26 0.00 -1.17 -1.87 119.26 122.32 1t4a h ALA 25 Ca 0.09 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1t4a h ALA 25 Cb -0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 1t4a h ALA 25 CO -0.05 0.12 0.53 -0.07 0.00 0.00 0.00 179.25 179.79 1t4a h LEU 26 N 0.57 0.85 -0.31 0.00 3.38 -0.92 -2.31 115.31 116.57 1t4a h LEU 26 Ca 0.15 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1t4a h LEU 26 Cb 0.11 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1t4a h LEU 26 CO -0.02 0.56 0.14 0.45 0.09 0.00 0.00 178.44 179.67 1t4a h HIS 27 N 1.00 0.45 0.00 1.13 3.86 -0.75 -0.06 115.15 120.78 1t4a h HIS 27 Ca 0.36 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.54 1t4a h HIS 27 Cb 0.10 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.43 1t4a h HIS 27 CO -0.03 0.41 0.06 0.43 0.86 0.00 0.00 177.93 179.67 1t4a n SER 28 N -4.76 0.51 -0.06 2.45 7.64 -0.74 -3.68 113.62 114.99 1t4a n SER 28 Ca -0.02 -1.21 0.03 0.00 1.01 0.00 0.00 58.87 58.69 1t4a n SER 28 Cb 0.11 -0.11 0.04 0.00 -1.01 0.00 0.00 64.21 63.24 1t4a n SER 28 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1t4a n THR 30 N 2.11 1.06 -2.43 0.44 -2.24 -1.11 -5.11 114.28 107.00 1t4a n THR 30 Ca 0.01 -1.18 -0.40 0.00 -2.27 0.00 0.00 64.05 60.21 1t4a n THR 30 Cb 0.05 0.34 0.02 0.00 -2.10 0.00 0.00 70.33 68.64 1t4a n THR 30 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1t4a n TYR 31 N -0.68 2.73 0.83 4.78 4.02 -0.05 -4.73 117.16 124.06 1t4a n TYR 31 Ca 0.05 -2.57 0.07 0.00 -0.01 0.00 0.00 57.90 55.44 1t4a n TYR 31 Cb 0.43 -1.31 0.41 0.00 -0.02 0.00 0.00 39.34 38.84 1t4a n TYR 31 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1t4a n ASN 32 N 0.23 0.00 0.07 7.72 5.03 -1.26 -2.31 115.26 124.74 1t4a n ASN 32 Ca 0.50 -0.27 0.13 0.00 0.87 0.00 0.00 54.58 55.81 1t4a n ASN 32 Cb 0.26 -0.10 0.48 0.00 -1.02 0.00 0.00 39.78 39.40 1t4a n ASN 32 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 1t4a n GLU 33 N -1.10 0.16 -2.46 3.52 0.00 -1.26 -4.68 120.64 114.82 1t4a n GLU 33 Ca 0.09 0.16 -0.43 0.00 0.00 0.00 0.00 57.16 56.99 1t4a n GLU 33 Cb 0.07 -1.70 -0.02 0.00 0.00 0.00 0.00 31.44 29.79 1t4a n GLU 33 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1t4a s VAL 34 N -3.08 4.23 -0.10 3.84 1.01 -0.98 -4.89 120.40 120.44 1t4a s VAL 34 Ca 0.11 1.41 0.04 0.00 0.00 0.00 0.00 61.98 63.54 1t4a s VAL 34 Cb 0.14 -4.19 -0.24 0.00 0.00 0.00 0.00 36.38 32.09 1t4a s VAL 34 CO 0.55 -0.43 0.43 0.00 0.00 0.00 0.00 175.10 175.65 1t4a n GLN 35 N 7.13 0.69 -3.70 2.72 1.13 -1.26 -4.99 117.38 119.10 1t4a n GLN 35 Ca 0.14 0.25 -0.14 0.00 -1.94 0.00 0.00 57.00 55.31 1t4a n GLN 35 Cb 0.46 -1.72 -0.08 0.00 0.11 0.00 0.00 30.24 29.01 1t4a n GLN 35 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1t4a s ASP 36 N -6.48 -0.33 -0.07 1.08 2.15 -1.26 -5.15 116.67 106.61 1t4a s ASP 36 Ca -0.15 0.34 -0.00 0.00 0.43 0.00 0.00 52.55 53.17 1t4a s ASP 36 Cb 0.07 0.45 0.02 0.00 -0.30 0.00 0.00 42.92 43.16 1t4a s ASP 36 CO 0.79 -0.44 -0.03 -0.69 -0.17 0.00 0.00 175.17 174.62 1t4a s VAL 37 N -1.07 0.58 -0.15 1.11 1.01 -1.26 -5.08 120.40 115.53 1t4a s VAL 37 Ca -0.11 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.82 1t4a s VAL 37 Cb -0.04 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.71 1t4a s VAL 37 CO 0.05 0.27 -0.18 -0.13 0.00 0.00 0.00 175.10 175.11 1t4a s ARG 38 N 1.48 2.70 -0.16 2.72 1.81 -1.26 -4.26 118.95 121.99 1t4a s ARG 38 Ca -0.02 -0.73 -0.04 0.00 -1.72 0.00 0.00 55.73 53.23 1t4a s ARG 38 Cb -0.13 -2.32 -0.03 0.00 -0.45 0.00 0.00 34.95 32.02 1t4a s ARG 38 CO -0.03 -0.15 -0.04 0.42 -0.68 0.00 0.00 175.30 174.82 1t4a s ILE 39 N 1.19 3.83 0.00 1.52 1.01 -1.26 -5.01 121.20 122.48 1t4a s ILE 39 Ca 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.28 1t4a s ILE 39 Cb -0.14 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 39.65 1t4a s ILE 39 CO -0.08 0.48 0.00 0.61 0.00 0.00 0.00 174.94 175.95 1t4a n GLY 40 N 3.67 5.39 3.09 6.18 0.00 -1.26 -4.64 105.19 117.62 1t4a n GLY 40 Ca -0.17 -1.25 -0.14 0.00 0.00 0.00 0.00 46.02 44.46 1t4a n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t4a s LYS 41 N 2.11 0.60 0.32 1.61 1.02 0.80 -5.00 119.74 121.21 1t4a s LYS 41 Ca 0.00 -0.82 0.04 0.00 0.02 0.00 0.00 55.97 55.22 1t4a s LYS 41 Cb 0.00 -0.41 -0.06 0.00 -0.52 0.00 0.00 37.83 36.83 1t4a s LYS 41 CO 0.00 0.08 0.04 -0.47 -0.92 0.00 0.00 175.35 174.08 1t4a s TYR 42 N -1.40 2.00 -0.30 3.18 5.04 -1.26 -0.33 117.35 124.28 1t4a s TYR 42 Ca -0.08 -0.91 -0.10 0.00 -2.44 0.00 0.00 57.07 53.54 1t4a s TYR 42 Cb -0.10 -1.30 0.14 0.00 0.35 0.00 0.00 41.96 41.06 1t4a s TYR 42 CO 0.01 0.06 0.73 -1.21 -1.34 0.00 0.00 175.55 173.80 1t4a s GLU 44 N -3.86 0.51 -0.15 4.97 2.02 -1.26 -4.99 118.70 115.94 1t4a s GLU 44 Ca 0.36 1.25 0.01 0.00 0.02 0.00 0.00 54.97 56.61 1t4a s GLU 44 Cb 0.08 0.75 0.00 0.00 0.10 0.00 0.00 34.13 35.06 1t4a s GLU 44 CO 0.15 -0.21 -0.17 -0.51 0.02 0.00 0.00 175.26 174.54 1t4a s LEU 45 N 2.80 2.37 -0.13 1.80 1.02 0.36 -4.93 118.68 121.97 1t4a s LEU 45 Ca -0.03 -0.50 -0.20 0.00 0.02 0.00 0.00 54.13 53.42 1t4a s LEU 45 Cb -0.11 -1.53 -0.04 0.00 0.02 0.00 0.00 46.19 44.54 1t4a s LEU 45 CO -0.19 0.09 0.55 -0.89 0.02 0.00 0.00 176.35 175.93 1t4a s THR 46 N 0.79 5.13 0.05 5.49 2.01 -1.26 0.59 115.64 128.43 1t4a s THR 46 Ca -0.06 1.08 0.03 0.00 0.31 0.00 0.00 61.69 63.05 1t4a s THR 46 Cb -0.15 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 1t4a s THR 46 CO -0.00 0.26 -0.10 0.27 -0.69 0.00 0.00 174.62 174.36 1t4a s ILE 47 N 0.98 0.70 0.17 1.82 -4.36 0.74 -4.98 121.20 116.26 1t4a s ILE 47 Ca 0.28 -1.15 -0.02 0.00 -0.26 0.00 0.00 60.65 59.51 1t4a s ILE 47 Cb -0.16 -0.74 -0.05 0.00 1.25 0.00 0.00 42.46 42.76 1t4a s ILE 47 CO 0.12 -0.34 0.36 -1.83 0.24 0.00 0.00 174.94 173.49 1t4a s GLU 48 N -1.64 3.54 0.58 0.37 -1.05 -1.26 -0.54 118.70 118.70 1t4a s GLU 48 Ca -0.08 -0.28 -0.17 0.00 -0.15 0.00 0.00 54.97 54.29 1t4a s GLU 48 Cb -0.10 -2.87 -0.04 0.00 -0.44 0.00 0.00 34.13 30.68 1t4a s GLU 48 CO 0.01 0.45 1.09 0.15 0.95 0.00 0.00 175.26 177.90 1t4a s LYS 49 N -3.03 3.24 0.00 -4.83 1.02 -1.26 -4.94 119.74 109.95 1t4a s LYS 49 Ca 0.39 1.38 0.00 0.00 0.02 0.00 0.00 55.97 57.76 1t4a s LYS 49 Cb -0.12 -2.01 0.00 0.00 -0.52 0.00 0.00 37.83 35.18 1t4a s LYS 49 CO 0.28 -0.89 0.00 -1.13 -0.92 0.00 0.00 175.35 172.68 1t4a n SER 50 N -1.81 0.00 0.23 2.83 3.41 -1.26 -5.03 113.62 112.00 1t4a n SER 50 Ca 0.10 -0.79 0.11 0.00 -0.26 0.00 0.00 58.87 58.02 1t4a n SER 50 Cb 0.52 0.00 0.55 0.00 -0.26 0.00 0.00 64.21 65.02 1t4a n SER 50 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1t4a h ASP 51 N 0.00 0.00 -4.05 4.04 1.82 -2.08 -3.44 116.42 112.71 1t4a h ASP 51 Ca 0.00 0.00 -0.51 0.00 -0.39 0.00 0.00 57.03 56.13 1t4a h ASP 51 Cb 0.00 0.00 0.07 0.00 0.68 0.00 0.00 39.33 40.08 1t4a h ASP 51 CO 0.00 0.20 0.46 -0.13 -1.61 0.00 0.00 179.24 178.16 1t4a s ARG 52 N -3.82 3.50 0.43 0.28 0.52 -1.26 -5.00 118.95 113.60 1t4a s ARG 52 Ca -0.01 1.72 -0.22 0.00 -0.52 0.00 0.00 55.73 56.70 1t4a s ARG 52 Cb 0.11 -2.18 -0.09 0.00 0.52 0.00 0.00 34.95 33.30 1t4a s ARG 52 CO 0.62 -0.75 1.01 -0.51 0.02 0.00 0.00 175.30 175.68 1t4a s ASP 53 N -1.55 6.72 0.11 0.23 -0.00 -1.26 -4.92 116.67 116.00 1t4a s ASP 53 Ca 0.69 1.89 -0.22 0.00 -0.00 0.00 0.00 52.55 54.91 1t4a s ASP 53 Cb -0.27 -2.56 -0.08 0.00 -0.00 0.00 0.00 42.92 40.01 1t4a s ASP 53 CO 0.31 -0.51 1.71 0.25 -0.00 0.00 0.00 175.17 176.93 1t4a h LEU 54 N 2.10 -0.20 -0.92 1.23 5.85 -1.94 -1.54 115.31 119.90 1t4a h LEU 54 Ca -0.49 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.26 1t4a h LEU 54 Cb 1.21 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.30 1t4a h LEU 54 CO 0.61 -0.09 0.50 -2.24 -0.34 0.00 0.00 178.44 176.88 1t4a h ASP 55 N -0.08 1.13 -0.47 1.25 2.03 -2.00 -2.02 116.42 116.26 1t4a h ASP 55 Ca 0.05 -0.10 -0.06 0.00 -0.73 0.00 0.00 57.03 56.20 1t4a h ASP 55 Cb 0.15 -0.29 -0.02 0.00 -0.83 0.00 0.00 39.33 38.35 1t4a h ASP 55 CO -0.12 0.90 0.07 0.58 -1.03 0.00 0.00 179.24 179.64 1t4a h VAL 56 N 1.27 1.25 -0.12 4.15 2.07 -1.89 -2.72 116.25 120.26 1t4a h VAL 56 Ca 0.32 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1t4a h VAL 56 Cb 0.02 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1t4a h VAL 56 CO -0.05 0.32 0.04 0.25 0.02 0.00 0.00 177.57 178.15 1t4a h LEU 57 N 0.65 0.17 -0.78 2.57 5.85 -1.05 -2.46 115.31 120.27 1t4a h LEU 57 Ca 0.14 -0.20 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 1t4a h LEU 57 Cb 0.39 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1t4a h LEU 57 CO 0.01 0.32 0.27 0.58 -0.34 0.00 0.00 178.44 179.28 1t4a h VAL 58 N 0.01 1.26 -0.67 1.05 2.07 -1.40 -2.83 116.25 115.74 1t4a h VAL 58 Ca 0.04 -0.88 -0.07 0.00 0.82 0.00 0.00 66.70 66.60 1t4a h VAL 58 Cb 0.21 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 1t4a h VAL 58 CO -0.00 0.35 0.13 0.11 0.02 0.00 0.00 177.57 178.19 1t4a h LYS 59 N 1.14 1.08 -0.91 1.57 1.57 -1.47 -1.67 116.57 117.88 1t4a h LYS 59 Ca 0.25 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1t4a h LYS 59 Cb 0.27 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1t4a h LYS 59 CO -0.01 0.97 0.00 0.39 -0.57 0.00 0.00 179.45 180.23 1t4a n GLU 60 N -4.23 0.34 0.00 3.15 1.02 -0.93 -0.76 120.64 119.23 1t4a n GLU 60 Ca 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1t4a n GLU 60 Cb 0.27 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 1t4a n GLU 60 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1t4a h GLU 63 N 0.00 0.86 0.00 0.00 5.08 -1.19 -0.43 114.58 118.90 1t4a h GLU 63 Ca 0.00 -0.42 -0.21 0.00 -1.00 0.00 0.00 59.36 57.73 1t4a h GLU 63 Cb 0.00 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1t4a h GLU 63 CO 0.00 1.06 -1.06 0.87 -1.00 0.00 0.00 179.01 178.88 1t4a h LYS 64 N 0.72 0.00 0.00 2.33 1.57 -0.85 -3.44 116.57 116.91 1t4a h LYS 64 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1t4a h LYS 64 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1t4a h LYS 64 CO 0.08 0.91 -0.05 -0.11 -0.57 0.00 0.00 179.45 179.72 1t4a n LEU 65 N -3.31 -0.01 -0.32 2.94 7.94 -1.24 -4.95 117.00 118.05 1t4a n LEU 65 Ca -0.02 0.06 0.03 0.00 -1.11 0.00 0.00 56.01 54.97 1t4a n LEU 65 Cb 0.94 0.05 0.21 0.00 0.53 0.00 0.00 43.42 45.15 1t4a n LEU 65 CO 0.46 -0.51 1.26 -0.07 -1.11 0.00 0.00 177.39 177.42 1t4a h LEU 66 N 0.00 0.96 -8.15 -1.96 4.07 -1.88 -3.44 115.31 104.92 1t4a h LEU 66 Ca 0.00 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.70 1t4a h LEU 66 Cb 0.05 -0.21 -0.21 0.00 1.08 0.00 0.00 40.66 41.37 1t4a h LEU 66 CO 0.00 0.63 -0.73 0.00 -1.08 0.00 0.00 178.44 177.26 1t4a s ALA 67 N -5.95 0.52 -0.86 1.53 0.00 -0.18 -5.01 121.76 111.81 1t4a s ALA 67 Ca -0.12 -0.75 -0.16 0.00 0.00 0.00 0.00 51.96 50.93 1t4a s ALA 67 Cb 0.20 0.06 0.17 0.00 0.00 0.00 0.00 23.12 23.55 1t4a s ALA 67 CO 0.80 -0.04 0.92 1.21 0.00 0.00 0.00 175.76 178.65 1t4a s ASN 68 N -1.58 6.67 0.00 0.00 3.84 -1.26 -4.58 114.94 118.02 1t4a s ASN 68 Ca -0.11 -2.33 0.00 0.00 0.21 0.00 0.00 52.86 50.64 1t4a s ASN 68 Cb -0.10 -2.30 0.00 0.00 -0.55 0.00 0.00 41.25 38.30 1t4a s ASN 68 CO 0.00 -0.82 0.52 0.35 -2.79 0.00 0.00 177.10 174.36 1t4a n THR 69 N 4.74 0.12 0.07 -5.21 -2.24 -1.26 -0.41 114.28 110.09 1t4a n THR 69 Ca 0.17 0.03 -0.08 0.00 -2.27 0.00 0.00 64.05 61.90 1t4a n THR 69 Cb 0.48 -1.03 -0.09 0.00 -2.10 0.00 0.00 70.33 67.58 1t4a n THR 69 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1t4a h VAL 70 N 0.00 1.65 0.00 2.28 2.07 -1.98 -3.38 116.25 116.89 1t4a h VAL 70 Ca 0.00 -3.21 0.00 0.00 0.82 0.00 0.00 66.70 64.31 1t4a h VAL 70 Cb 0.00 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1t4a h VAL 70 CO 0.00 0.92 -0.50 2.30 0.02 0.00 0.00 177.57 180.31 1t4a n ILE 71 N -3.43 0.00 -4.59 4.57 -5.35 -0.40 -5.02 119.36 105.14 1t4a n ILE 71 Ca -0.01 -0.17 -0.31 0.00 -0.27 0.00 0.00 62.75 61.98 1t4a n ILE 71 Cb 0.91 0.66 -0.12 0.00 -1.74 0.00 0.00 39.64 39.35 1t4a n ILE 71 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1t4a s GLU 72 N -1.35 2.16 0.23 6.28 2.02 0.45 -0.56 118.70 127.93 1t4a s GLU 72 Ca 0.00 -0.94 0.05 0.00 0.02 0.00 0.00 54.97 54.10 1t4a s GLU 72 Cb 0.00 -2.25 -0.03 0.00 0.10 0.00 0.00 34.13 31.95 1t4a s GLU 72 CO 0.00 0.55 0.32 -0.51 0.02 0.00 0.00 175.26 175.64 1t4a s ASP 73 N -1.49 6.16 -0.01 -0.19 1.01 0.15 -4.14 116.67 118.15 1t4a s ASP 73 Ca 0.16 0.02 -0.05 0.00 0.71 0.00 0.00 52.55 53.39 1t4a s ASP 73 Cb -0.11 -1.77 0.00 0.00 1.01 0.00 0.00 42.92 42.05 1t4a s ASP 73 CO 0.06 -0.05 0.10 -0.72 0.21 0.00 0.00 175.17 174.78 1t4a s TYR 74 N -1.98 0.01 -0.01 4.23 1.13 -1.26 -2.06 117.35 117.42 1t4a s TYR 74 Ca 0.34 -0.01 -0.05 0.00 -1.41 0.00 0.00 57.07 55.93 1t4a s TYR 74 Cb -0.09 -0.03 0.00 0.00 -1.10 0.00 0.00 41.96 40.74 1t4a s TYR 74 CO 0.28 -0.18 0.10 -0.98 -2.51 0.00 0.00 175.55 172.27 1t4a s ARG 75 N -0.80 0.36 0.05 -3.49 1.70 -0.93 -4.99 118.95 110.86 1t4a s ARG 75 Ca -0.09 -0.29 -0.00 0.00 -0.47 0.00 0.00 55.73 54.88 1t4a s ARG 75 Cb -0.05 0.15 -0.04 0.00 -0.57 0.00 0.00 34.95 34.44 1t4a s ARG 75 CO 0.01 -0.08 -0.04 1.52 -1.08 0.00 0.00 175.30 175.63 1t4a s TYR 76 N -1.01 0.53 0.02 5.89 -0.85 -1.26 -0.87 117.35 119.80 1t4a s TYR 76 Ca -0.11 -0.93 0.02 0.00 -0.52 0.00 0.00 57.07 55.53 1t4a s TYR 76 Cb -0.06 -0.37 -0.01 0.00 0.38 0.00 0.00 41.96 41.89 1t4a s TYR 76 CO 0.01 -0.30 -0.05 -1.21 -1.52 0.00 0.00 175.55 172.47 1t4a s GLU 77 N -3.37 0.41 -0.02 -3.49 2.02 -0.73 -5.00 118.70 108.52 1t4a s GLU 77 Ca 0.03 -0.42 0.06 0.00 0.02 0.00 0.00 54.97 54.65 1t4a s GLU 77 Cb 0.04 -0.27 -0.01 0.00 0.10 0.00 0.00 34.13 33.98 1t4a s GLU 77 CO -0.07 0.06 -0.19 0.08 0.02 0.00 0.00 175.26 175.16 1t4a s VAL 78 N -0.72 1.54 0.21 2.63 1.01 -1.26 -1.21 120.40 122.60 1t4a s VAL 78 Ca -0.04 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.18 1t4a s VAL 78 Cb -0.06 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 1t4a s VAL 78 CO -0.00 0.44 -0.11 -1.61 0.00 0.00 0.00 175.10 173.82 1t4a s GLU 79 N -0.35 1.33 0.00 2.72 2.02 -0.84 -4.98 118.70 118.60 1t4a s GLU 79 Ca 0.05 -1.61 0.26 0.00 0.02 0.00 0.00 54.97 53.69 1t4a s GLU 79 Cb -0.09 -1.02 0.71 0.00 0.10 0.00 0.00 34.13 33.84 1t4a s GLU 79 CO -0.00 0.12 1.56 -1.91 0.02 0.00 0.00 175.26 175.04