#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m94 s ILE 2 N 0.00 1.80 -0.20 1.12 -4.36 0.16 -4.94 121.20 114.77 1m94 s ILE 2 Ca 0.00 -2.18 -0.03 0.00 -0.26 0.00 0.00 60.65 58.18 1m94 s ILE 2 Cb 0.00 -2.36 -0.01 0.00 1.25 0.00 0.00 42.46 41.34 1m94 s ILE 2 CO 0.00 -0.37 -0.07 -0.70 0.24 0.00 0.00 174.94 174.05 1m94 s GLU 3 N -3.68 3.35 0.14 0.37 -6.30 -1.26 -1.32 118.70 110.01 1m94 s GLU 3 Ca 0.28 -0.65 0.09 0.00 -2.50 0.00 0.00 54.97 52.19 1m94 s GLU 3 Cb 0.02 -2.92 -0.04 0.00 0.00 0.00 0.00 34.13 31.18 1m94 s GLU 3 CO 0.11 -0.14 -0.14 0.14 0.02 0.00 0.00 175.26 175.26 1m94 s VAL 4 N 1.30 3.04 -0.25 3.70 -7.23 -0.56 0.25 120.40 120.66 1m94 s VAL 4 Ca 0.04 -1.55 -0.07 0.00 -1.81 0.00 0.00 61.98 58.59 1m94 s VAL 4 Cb -0.14 -2.45 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 1m94 s VAL 4 CO -0.03 0.01 0.06 -0.69 -0.31 0.00 0.00 175.10 174.14 1m94 s VAL 5 N -1.40 4.26 -0.19 1.32 1.01 -0.58 -1.99 120.40 122.83 1m94 s VAL 5 Ca 0.21 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 61.96 1m94 s VAL 5 Cb -0.10 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 1m94 s VAL 5 CO 0.13 0.35 -0.02 -0.69 0.00 0.00 0.00 175.10 174.87 1m94 s VAL 6 N 1.57 3.82 -0.07 2.92 1.01 0.35 -0.35 120.40 129.65 1m94 s VAL 6 Ca 0.06 -0.36 0.02 0.00 0.00 0.00 0.00 61.98 61.70 1m94 s VAL 6 Cb -0.15 -2.72 0.02 0.00 0.00 0.00 0.00 36.38 33.53 1m94 s VAL 6 CO 0.03 0.44 -0.11 0.54 0.00 0.00 0.00 175.10 176.00 1m94 s ASN 7 N 0.96 1.75 0.43 3.32 2.20 -0.91 -0.20 114.94 122.49 1m94 s ASN 7 Ca 0.01 -0.28 -0.22 0.00 -0.94 0.00 0.00 52.86 51.42 1m94 s ASN 7 Cb -0.14 -0.79 -0.09 0.00 -2.00 0.00 0.00 41.25 38.22 1m94 s ASN 7 CO 0.01 0.00 1.04 -0.62 -2.94 0.00 0.00 177.10 174.60 1m94 s ASP 8 N 0.84 6.62 0.30 3.54 -1.08 0.36 -1.40 116.67 125.84 1m94 s ASP 8 Ca -0.11 1.98 0.04 0.00 -0.52 0.00 0.00 52.55 53.93 1m94 s ASP 8 Cb -0.15 -2.57 0.47 0.00 -1.46 0.00 0.00 42.92 39.20 1m94 s ASP 8 CO 0.02 -0.59 1.76 -0.09 0.52 0.00 0.00 175.17 176.79 1m94 h ARG 9 N 2.13 0.45 -0.07 4.34 2.43 -1.87 -3.08 114.38 118.71 1m94 h ARG 9 Ca -0.49 -0.16 -0.00 0.00 -0.81 0.00 0.00 59.98 58.53 1m94 h ARG 9 Cb 1.21 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1m94 h ARG 9 CO 0.61 0.65 0.04 -0.07 -1.51 0.00 0.00 179.97 179.69 1m94 h LEU 10 N 0.41 0.09 0.00 3.80 4.07 -1.92 -3.46 115.31 118.30 1m94 h LEU 10 Ca 0.07 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1m94 h LEU 10 Cb 0.61 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.32 1m94 h LEU 10 CO 0.04 0.13 0.00 0.61 -1.08 0.00 0.00 178.44 178.15 1m94 n GLY 11 N -0.93 -1.32 3.31 0.83 0.00 -1.17 -5.18 105.19 100.73 1m94 n GLY 11 Ca -0.06 0.52 -0.14 0.00 0.00 0.00 0.00 46.02 46.34 1m94 n GLY 11 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1m94 s LYS 12 N 0.00 0.79 -0.17 1.61 2.20 -1.21 -4.93 119.74 118.04 1m94 s LYS 12 Ca 0.00 -0.15 -0.07 0.00 -0.36 0.00 0.00 55.97 55.39 1m94 s LYS 12 Cb 0.00 0.36 0.07 0.00 -1.51 0.00 0.00 37.83 36.75 1m94 s LYS 12 CO 0.00 -0.24 0.37 0.21 -0.36 0.00 0.00 175.35 175.33 1m94 s LYS 13 N -1.55 0.29 0.06 4.03 2.20 -1.26 -0.49 119.74 123.02 1m94 s LYS 13 Ca -0.11 0.85 -0.03 0.00 -0.36 0.00 0.00 55.97 56.32 1m94 s LYS 13 Cb -0.03 0.11 -0.03 0.00 -1.51 0.00 0.00 37.83 36.36 1m94 s LYS 13 CO 0.04 -0.22 0.02 0.14 -0.36 0.00 0.00 175.35 174.96 1m94 s VAL 14 N 2.09 0.20 -0.07 4.02 -7.23 0.72 -4.99 120.40 115.13 1m94 s VAL 14 Ca -0.04 -1.64 0.05 0.00 -1.81 0.00 0.00 61.98 58.54 1m94 s VAL 14 Cb -0.11 -1.43 -0.01 0.00 0.56 0.00 0.00 36.38 35.39 1m94 s VAL 14 CO -0.11 -0.90 -0.22 -0.13 -0.31 0.00 0.00 175.10 173.42 1m94 s ARG 15 N -3.79 2.71 -0.01 4.82 0.52 -1.26 -0.50 118.95 121.45 1m94 s ARG 15 Ca 0.06 -0.84 0.01 0.00 -0.52 0.00 0.00 55.73 54.43 1m94 s ARG 15 Cb 0.07 -2.27 0.00 0.00 0.52 0.00 0.00 34.95 33.27 1m94 s ARG 15 CO -0.10 0.37 -0.02 0.54 0.02 0.00 0.00 175.30 176.11 1m94 s VAL 16 N -0.12 0.18 -0.07 3.52 0.11 -0.84 -4.98 120.40 118.20 1m94 s VAL 16 Ca -0.04 -0.07 -0.01 0.00 -2.93 0.00 0.00 61.98 58.94 1m94 s VAL 16 Cb -0.14 -0.17 -0.03 0.00 -1.53 0.00 0.00 36.38 34.50 1m94 s VAL 16 CO 0.04 0.07 -0.01 -1.59 -3.33 0.00 0.00 175.10 170.27 1m94 s LYS 17 N 0.12 2.90 0.21 1.54 -2.85 -1.26 -1.49 119.74 118.91 1m94 s LYS 17 Ca -0.01 -0.47 -0.19 0.00 -1.00 0.00 0.00 55.97 54.30 1m94 s LYS 17 Cb -0.03 -2.73 0.03 0.00 -2.06 0.00 0.00 37.83 33.04 1m94 s LYS 17 CO -0.00 0.68 0.58 0.00 0.10 0.00 0.00 175.35 176.70 1m94 s LEU 19 N -2.88 4.34 0.57 0.00 1.43 -1.26 -0.67 118.68 120.21 1m94 s LEU 19 Ca 0.10 1.22 0.32 0.00 -1.03 0.00 0.00 54.13 54.73 1m94 s LEU 19 Cb -0.02 -3.39 1.72 0.00 0.03 0.00 0.00 46.19 44.53 1m94 s LEU 19 CO -0.01 0.08 2.17 0.00 0.23 0.00 0.00 176.35 178.81 1m94 h ALA 20 N 3.51 1.26 0.00 4.21 0.00 -1.95 -1.19 119.26 125.11 1m94 h ALA 20 Ca -0.48 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1m94 h ALA 20 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1m94 h ALA 20 CO 0.65 0.07 -0.32 1.05 0.00 0.00 0.00 179.25 180.71 1m94 h GLU 21 N 0.00 0.00 -7.15 0.00 -0.00 -1.94 0.21 114.58 105.70 1m94 h GLU 21 Ca -0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 59.36 58.83 1m94 h GLU 21 Cb 0.21 0.00 0.13 0.00 -0.00 0.00 0.00 28.75 29.09 1m94 h GLU 21 CO 0.01 0.00 0.42 -0.51 -0.00 0.00 0.00 179.01 178.93 1m94 s ASP 22 N -5.87 4.69 0.62 3.06 1.01 -0.45 -4.66 116.67 115.08 1m94 s ASP 22 Ca 0.05 2.31 -0.09 0.00 0.71 0.00 0.00 52.55 55.53 1m94 s ASP 22 Cb 0.07 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.40 1m94 s ASP 22 CO 0.71 -1.92 0.99 -0.94 0.21 0.00 0.00 175.17 174.21 1m94 s SER 23 N -1.96 5.83 0.40 0.27 1.04 -1.26 -1.50 113.70 116.51 1m94 s SER 23 Ca 0.74 1.09 0.08 0.00 0.48 0.00 0.00 55.95 58.35 1m94 s SER 23 Cb -0.28 -2.08 0.84 0.00 0.10 0.00 0.00 66.02 64.59 1m94 s SER 23 CO 0.40 -1.03 1.99 0.58 0.98 0.00 0.00 173.24 176.17 1m94 h VAL 24 N -0.32 1.13 -0.38 5.02 2.07 -1.61 -1.52 116.25 120.65 1m94 h VAL 24 Ca -0.45 -0.46 0.04 0.00 0.82 0.00 0.00 66.70 66.65 1m94 h VAL 24 Cb 1.23 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 1m94 h VAL 24 CO 0.62 0.16 0.14 1.23 0.02 0.00 0.00 177.57 179.75 1m94 h GLY 25 N 0.59 0.49 1.32 2.17 0.00 -1.80 0.16 103.07 106.00 1m94 h GLY 25 Ca 0.09 -0.08 -0.11 0.00 0.00 0.00 0.00 47.33 47.23 1m94 h GLY 25 CO -0.00 0.04 -0.19 -1.80 0.00 0.00 0.00 176.54 174.58 1m94 h ASP 26 N 0.30 0.80 -0.92 0.19 3.58 -1.77 -1.60 116.42 116.99 1m94 h ASP 26 Ca 0.17 -0.27 0.01 0.00 0.42 0.00 0.00 57.03 57.36 1m94 h ASP 26 Cb 0.14 -0.22 -0.05 0.00 1.72 0.00 0.00 39.33 40.93 1m94 h ASP 26 CO -0.17 0.97 0.61 0.15 -2.88 0.00 0.00 179.24 177.93 1m94 h PHE 27 N 0.70 1.15 -0.04 0.28 3.57 -0.26 -1.57 116.94 120.78 1m94 h PHE 27 Ca 0.10 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.48 1m94 h PHE 27 Cb 0.70 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1m94 h PHE 27 CO 0.04 0.72 -0.64 0.87 -2.23 0.00 0.00 178.31 177.07 1m94 h LYS 28 N 1.24 0.16 -0.41 1.11 1.57 -0.47 -2.51 116.57 117.25 1m94 h LYS 28 Ca 0.34 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.98 1m94 h LYS 28 Cb -0.13 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1m94 h LYS 28 CO -0.08 0.74 0.17 0.87 -0.57 0.00 0.00 179.45 180.58 1m94 h LYS 29 N 0.11 0.61 -0.38 3.15 1.57 -0.38 0.13 116.57 121.38 1m94 h LYS 29 Ca -0.01 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.56 1m94 h LYS 29 Cb 1.15 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 1m94 h LYS 29 CO 0.09 0.57 -0.19 0.28 -0.57 0.00 0.00 179.45 179.64 1m94 h VAL 30 N 0.52 1.26 -0.41 0.50 2.07 -1.28 -2.95 116.25 115.97 1m94 h VAL 30 Ca 0.14 -1.26 -0.08 0.00 0.82 0.00 0.00 66.70 66.32 1m94 h VAL 30 Cb 0.18 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1m94 h VAL 30 CO -0.01 0.42 -0.05 -0.07 0.02 0.00 0.00 177.57 177.88 1m94 h LEU 31 N 0.64 0.75 -1.62 2.57 3.38 -1.06 -2.81 115.31 117.15 1m94 h LEU 31 Ca 0.10 -0.33 0.10 0.00 0.09 0.00 0.00 57.88 57.83 1m94 h LEU 31 Cb 0.67 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1m94 h LEU 31 CO 0.05 0.91 0.60 -1.28 0.09 0.00 0.00 178.44 178.80 1m94 h SER 32 N 0.58 0.00 -0.18 -0.43 0.87 -0.56 -0.33 113.55 113.51 1m94 h SER 32 Ca 0.11 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.59 1m94 h SER 32 Cb 0.55 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1m94 h SER 32 CO 0.03 0.00 -0.19 -0.07 -0.53 0.00 0.00 176.83 176.07 1m94 h LEU 33 N 0.00 0.47 0.05 2.23 3.38 -1.55 0.44 115.31 120.32 1m94 h LEU 33 Ca 0.16 -0.48 -0.26 0.00 0.09 0.00 0.00 57.88 57.39 1m94 h LEU 33 Cb 1.36 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 1m94 h LEU 33 CO -0.00 0.86 -1.30 0.06 0.09 0.00 0.00 178.44 178.14 1m94 h GLN 34 N 0.09 0.10 0.01 1.13 3.07 -1.24 -3.37 115.11 114.90 1m94 h GLN 34 Ca 0.03 -0.18 -0.34 0.00 0.09 0.00 0.00 58.65 58.24 1m94 h GLN 34 Cb 0.73 0.07 -0.06 0.00 0.08 0.00 0.00 27.48 28.30 1m94 h GLN 34 CO 0.05 0.97 -2.14 0.44 0.09 0.00 0.00 178.83 178.24 1m94 n ILE 35 N -3.35 1.50 -2.80 1.86 -5.35 -0.72 -5.00 119.36 105.50 1m94 n ILE 35 Ca -0.09 -0.80 -0.09 0.00 -0.27 0.00 0.00 62.75 61.51 1m94 n ILE 35 Cb 1.00 -0.83 0.04 0.00 -1.74 0.00 0.00 39.64 38.11 1m94 n ILE 35 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1m94 n GLY 36 N 1.75 0.23 0.11 3.28 0.00 0.15 -4.95 105.19 105.76 1m94 n GLY 36 Ca -0.29 -0.27 0.04 0.00 0.00 0.00 0.00 46.02 45.50 1m94 n GLY 36 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1m94 n THR 37 N -3.02 0.00 -0.98 2.61 -1.04 -1.25 -5.06 114.28 105.53 1m94 n THR 37 Ca -0.05 -0.39 0.00 0.00 -2.04 0.00 0.00 64.05 61.58 1m94 n THR 37 Cb 0.54 1.06 -0.00 0.00 -1.82 0.00 0.00 70.33 70.11 1m94 n THR 37 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1m94 n GLN 38 N -0.63 -2.58 -1.11 -2.82 6.02 -1.26 -3.77 117.38 111.23 1m94 n GLN 38 Ca 0.02 2.00 -0.33 0.00 -0.01 0.00 0.00 57.00 58.69 1m94 n GLN 38 Cb 0.14 -2.51 -0.02 0.00 1.02 0.00 0.00 30.24 28.87 1m94 n GLN 38 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1m94 n PRO 39 N -2.22 2.80 0.00 -1.09 -0.04 -1.26 -3.24 135.00 129.94 1m94 n PRO 39 Ca -0.00 -1.92 0.00 0.00 -0.04 0.00 0.00 63.50 61.54 1m94 n PRO 39 Cb 0.31 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.05 1m94 n PRO 39 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1m94 n ASN 40 N 4.40 0.00 -1.46 3.54 3.02 -1.26 -4.91 115.26 118.58 1m94 n ASN 40 Ca 0.60 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 55.25 1m94 n ASN 40 Cb 0.22 0.14 0.34 0.00 -0.61 0.00 0.00 39.78 39.86 1m94 n ASN 40 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1m94 n LYS 41 N -1.75 3.26 -3.64 3.52 4.81 -1.20 -4.91 118.16 118.25 1m94 n LYS 41 Ca 0.00 -2.69 -0.36 0.00 -0.87 0.00 0.00 58.31 54.40 1m94 n LYS 41 Cb 0.00 -1.75 -0.08 0.00 0.02 0.00 0.00 35.03 33.22 1m94 n LYS 41 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1m94 s ILE 42 N -1.54 5.36 -0.27 3.15 1.01 -1.25 -2.36 121.20 125.31 1m94 s ILE 42 Ca 0.49 0.32 0.02 0.00 0.00 0.00 0.00 60.65 61.48 1m94 s ILE 42 Cb 0.29 -3.54 0.06 0.00 0.01 0.00 0.00 42.46 39.28 1m94 s ILE 42 CO 0.27 0.40 -0.09 -0.69 0.00 0.00 0.00 174.94 174.83 1m94 s VAL 43 N 0.58 2.29 -0.12 2.92 1.01 0.48 -4.93 120.40 122.63 1m94 s VAL 43 Ca 0.11 -1.63 -0.09 0.00 0.00 0.00 0.00 61.98 60.36 1m94 s VAL 43 Cb -0.12 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1m94 s VAL 43 CO 0.01 -0.06 0.20 -0.76 0.00 0.00 0.00 175.10 174.49 1m94 s LEU 44 N 1.11 4.36 -0.17 3.92 1.43 -1.26 -0.24 118.68 127.84 1m94 s LEU 44 Ca -0.08 0.51 0.01 0.00 -1.03 0.00 0.00 54.13 53.54 1m94 s LEU 44 Cb -0.20 -2.19 0.02 0.00 0.03 0.00 0.00 46.19 43.85 1m94 s LEU 44 CO -0.05 0.33 -0.17 -1.10 0.23 0.00 0.00 176.35 175.59 1m94 s GLN 45 N -0.66 2.66 -0.72 1.70 -0.21 -0.19 -1.16 119.66 121.09 1m94 s GLN 45 Ca 0.15 -0.71 -0.08 0.00 0.02 0.00 0.00 55.36 54.75 1m94 s GLN 45 Cb -0.13 -2.36 0.19 0.00 1.00 0.00 0.00 33.01 31.71 1m94 s GLN 45 CO 0.05 -0.23 0.59 0.21 -2.12 0.00 0.00 175.29 173.78 1m94 s LYS 46 N 1.38 3.02 -0.97 2.91 2.20 0.08 -0.76 119.74 127.60 1m94 s LYS 46 Ca 0.05 -2.52 -0.00 0.00 -0.36 0.00 0.00 55.97 53.13 1m94 s LYS 46 Cb -0.13 -4.03 -0.00 0.00 -1.51 0.00 0.00 37.83 32.16 1m94 s LYS 46 CO -0.12 -1.23 0.81 0.41 -0.36 0.00 0.00 175.35 174.86 1m94 n GLY 47 N 3.66 -0.24 2.11 5.54 0.00 -1.26 -3.37 105.19 111.63 1m94 n GLY 47 Ca 0.11 0.01 -0.08 0.00 0.00 0.00 0.00 46.02 46.06 1m94 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1m94 n GLY 48 N -1.11 0.33 2.91 -0.02 0.00 -1.26 -5.05 105.19 100.98 1m94 n GLY 48 Ca -0.23 -0.32 -0.15 0.00 0.00 0.00 0.00 46.02 45.32 1m94 n GLY 48 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1m94 s SER 49 N -3.25 0.47 -0.01 1.61 0.15 -1.22 -5.13 113.70 106.32 1m94 s SER 49 Ca 0.13 0.41 -0.30 0.00 0.70 0.00 0.00 55.95 56.89 1m94 s SER 49 Cb -0.06 0.38 -0.03 0.00 -1.71 0.00 0.00 66.02 64.60 1m94 s SER 49 CO 0.26 -0.23 1.02 0.54 1.20 0.00 0.00 173.24 176.04 1m94 s VAL 50 N 2.11 4.71 -0.31 4.45 0.11 -1.26 -0.74 120.40 129.47 1m94 s VAL 50 Ca 0.00 1.95 -0.15 0.00 -2.93 0.00 0.00 61.98 60.85 1m94 s VAL 50 Cb -0.12 -4.25 -0.02 0.00 -1.53 0.00 0.00 36.38 30.46 1m94 s VAL 50 CO -0.07 0.12 0.38 -0.76 -3.33 0.00 0.00 175.10 171.45 1m94 s LEU 51 N 1.24 4.22 0.04 2.54 1.43 -0.31 -4.97 118.68 122.88 1m94 s LEU 51 Ca 0.52 0.06 0.03 0.00 -1.03 0.00 0.00 54.13 53.71 1m94 s LEU 51 Cb -0.22 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 1m94 s LEU 51 CO 0.26 -0.27 0.02 -0.75 0.23 0.00 0.00 176.35 175.84 1m94 s LYS 52 N 2.09 2.74 0.56 1.70 2.47 -1.26 -4.47 119.74 123.57 1m94 s LYS 52 Ca 0.14 -0.69 0.25 0.00 -1.56 0.00 0.00 55.97 54.10 1m94 s LYS 52 Cb -0.16 -2.65 1.53 0.00 -1.46 0.00 0.00 37.83 35.09 1m94 s LYS 52 CO 0.11 0.59 2.12 0.38 0.16 0.00 0.00 175.35 178.71 1m94 h ASP 53 N 3.84 0.00 0.63 1.43 2.03 -1.96 -0.21 116.42 122.19 1m94 h ASP 53 Ca -0.48 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.82 1m94 h ASP 53 Cb 1.17 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.67 1m94 h ASP 53 CO 0.60 0.00 0.00 0.45 -1.03 0.00 0.00 179.24 179.26 1m94 h HIS 54 N 0.00 0.00 -3.43 4.15 3.86 -1.96 -3.35 115.15 114.42 1m94 h HIS 54 Ca 0.08 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.63 1m94 h HIS 54 Cb 0.37 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 28.71 1m94 h HIS 54 CO 0.00 0.00 -0.68 0.42 0.86 0.00 0.00 177.93 178.53 1m94 s ILE 55 N -3.68 3.87 0.44 2.45 1.09 -0.09 -5.03 121.20 120.25 1m94 s ILE 55 Ca 0.00 -0.94 -0.07 0.00 -1.10 0.00 0.00 60.65 58.54 1m94 s ILE 55 Cb 0.10 -2.79 -0.05 0.00 -1.06 0.00 0.00 42.46 38.65 1m94 s ILE 55 CO 0.45 0.21 0.77 -0.94 -0.10 0.00 0.00 174.94 175.32 1m94 s SER 56 N -2.02 6.38 0.28 3.58 1.04 -1.26 -2.11 113.70 119.59 1m94 s SER 56 Ca 0.23 1.01 -0.03 0.00 0.48 0.00 0.00 55.95 57.63 1m94 s SER 56 Cb -0.11 -2.28 0.37 0.00 0.10 0.00 0.00 66.02 64.10 1m94 s SER 56 CO 0.14 -0.48 1.91 -0.07 0.98 0.00 0.00 173.24 175.72 1m94 h LEU 57 N 0.73 0.96 -1.60 2.42 3.38 -1.41 -1.77 115.31 118.02 1m94 h LEU 57 Ca -0.47 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 57.48 1m94 h LEU 57 Cb 1.20 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 1m94 h LEU 57 CO 0.63 0.76 0.35 -0.08 0.09 0.00 0.00 178.44 180.19 1m94 h GLU 58 N 1.09 0.48 -0.35 1.13 4.57 -0.78 0.37 114.58 121.09 1m94 h GLU 58 Ca 0.28 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.40 1m94 h GLU 58 Cb 0.01 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 1m94 h GLU 58 CO -0.05 0.32 0.11 0.22 -1.18 0.00 0.00 179.01 178.44 1m94 h ASP 59 N 0.50 0.50 1.24 1.04 3.58 -1.62 -2.22 116.42 119.44 1m94 h ASP 59 Ca 0.22 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.47 1m94 h ASP 59 Cb 0.24 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.16 1m94 h ASP 59 CO -0.06 0.57 0.00 1.88 -2.88 0.00 0.00 179.24 178.75 1m94 h TYR 60 N 0.41 0.00 -3.88 0.28 0.05 -1.25 -3.48 116.97 109.09 1m94 h TYR 60 Ca 0.11 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.89 1m94 h TYR 60 Cb 0.25 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.99 1m94 h TYR 60 CO 0.01 0.00 -0.12 -1.91 -1.05 0.00 0.00 178.16 175.09 1m94 n GLU 61 N -2.59 -0.76 -3.47 4.88 4.07 0.04 -5.03 120.64 117.78 1m94 n GLU 61 Ca 0.03 1.03 -0.36 0.00 -0.06 0.00 0.00 57.16 57.80 1m94 n GLU 61 Cb 0.36 -3.11 -0.06 0.00 -0.06 0.00 0.00 31.44 28.57 1m94 n GLU 61 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1m94 s VAL 62 N -2.13 4.98 0.30 6.31 0.11 -1.19 -5.03 120.40 123.74 1m94 s VAL 62 Ca 0.06 0.71 0.06 0.00 -2.93 0.00 0.00 61.98 59.89 1m94 s VAL 62 Cb -0.02 -3.71 -0.06 0.00 -1.53 0.00 0.00 36.38 31.07 1m94 s VAL 62 CO 0.29 0.36 -0.04 -1.00 -3.33 0.00 0.00 175.10 171.38 1m94 s HIS 63 N -1.32 2.02 0.36 1.54 3.76 -1.26 -4.92 115.29 115.46 1m94 s HIS 63 Ca 0.32 -0.73 -0.27 0.00 -0.15 0.00 0.00 55.06 54.23 1m94 s HIS 63 Cb -0.15 -1.20 -0.09 0.00 1.11 0.00 0.00 32.58 32.25 1m94 s HIS 63 CO 0.17 0.27 1.21 0.34 -0.85 0.00 0.00 174.74 175.88 1m94 s ASP 64 N -3.48 6.71 -1.45 1.40 -1.08 -1.26 -2.99 116.67 114.53 1m94 s ASP 64 Ca 0.31 2.47 -0.08 0.00 -0.52 0.00 0.00 52.55 54.73 1m94 s ASP 64 Cb 0.05 -2.63 0.02 0.00 -1.46 0.00 0.00 42.92 38.90 1m94 s ASP 64 CO 0.13 -0.56 0.94 0.00 0.52 0.00 0.00 175.17 176.20 1m94 n GLN 65 N 0.50 -6.46 -3.06 4.34 1.13 0.14 -4.94 117.38 109.03 1m94 n GLN 65 Ca 0.02 0.81 -0.29 0.00 -1.94 0.00 0.00 57.00 55.60 1m94 n GLN 65 Cb 0.44 -5.77 -0.03 0.00 0.11 0.00 0.00 30.24 24.99 1m94 n GLN 65 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 1m94 s THR 66 N -3.25 4.89 -0.29 5.09 -1.32 -1.16 -4.88 115.64 114.72 1m94 s THR 66 Ca 0.50 0.37 -0.13 0.00 -1.21 0.00 0.00 61.69 61.22 1m94 s THR 66 Cb -0.23 -3.73 -0.04 0.00 -1.51 0.00 0.00 72.50 66.99 1m94 s THR 66 CO 0.61 -0.44 0.27 0.20 -2.21 0.00 0.00 174.62 173.05 1m94 s ASN 67 N -3.18 6.11 0.25 8.08 -0.87 -1.26 -1.52 114.94 122.55 1m94 s ASN 67 Ca 0.48 0.03 0.10 0.00 -1.57 0.00 0.00 52.86 51.91 1m94 s ASN 67 Cb -0.10 -2.16 -0.04 0.00 -0.02 0.00 0.00 41.25 38.92 1m94 s ASN 67 CO 0.31 -0.13 -0.09 -0.76 -2.57 0.00 0.00 177.10 173.86 1m94 s LEU 68 N 1.88 2.94 0.01 0.60 1.43 0.53 -4.66 118.68 121.41 1m94 s LEU 68 Ca 0.10 -0.75 0.02 0.00 -1.03 0.00 0.00 54.13 52.47 1m94 s LEU 68 Cb -0.16 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 1m94 s LEU 68 CO 0.11 0.04 -0.01 -0.70 0.23 0.00 0.00 176.35 176.01 1m94 s GLU 69 N -3.40 2.71 -0.04 1.70 2.56 0.06 -2.14 118.70 120.15 1m94 s GLU 69 Ca 0.29 -0.66 0.04 0.00 0.00 0.00 0.00 54.97 54.64 1m94 s GLU 69 Cb -0.07 -2.62 -0.03 0.00 2.00 0.00 0.00 34.13 33.42 1m94 s GLU 69 CO 0.17 0.61 -0.14 -1.17 -0.56 0.00 0.00 175.26 174.17 1m94 s LEU 70 N -1.61 2.74 0.01 2.70 2.96 -0.50 -1.02 118.68 123.96 1m94 s LEU 70 Ca 0.20 -0.22 -0.08 0.00 -0.22 0.00 0.00 54.13 53.80 1m94 s LEU 70 Cb -0.11 -1.56 0.00 0.00 0.50 0.00 0.00 46.19 45.02 1m94 s LEU 70 CO 0.10 0.33 0.16 -0.31 -1.32 0.00 0.00 176.35 175.32 1m94 s TYR 71 N -0.77 0.03 -0.13 5.38 2.02 0.67 -3.22 117.35 121.33 1m94 s TYR 71 Ca 0.12 -0.12 -0.03 0.00 -0.37 0.00 0.00 57.07 56.67 1m94 s TYR 71 Cb -0.11 -0.04 -0.03 0.00 -0.40 0.00 0.00 41.96 41.39 1m94 s TYR 71 CO 0.01 -0.31 -0.01 0.71 -1.57 0.00 0.00 175.55 174.38 1m94 s TYR 72 N -1.52 3.11 -2.00 2.71 2.02 -1.26 -0.39 117.35 120.02 1m94 s TYR 72 Ca -0.14 -0.04 0.24 0.00 -0.37 0.00 0.00 57.07 56.77 1m94 s TYR 72 Cb -0.07 -1.90 1.42 0.00 -0.40 0.00 0.00 41.96 41.02 1m94 s TYR 72 CO 0.01 0.21 1.79 1.28 -1.57 0.00 0.00 175.55 177.27