#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 2.60 -0.12 1.12 -4.36 -0.65 -4.92 121.20 114.86 1m94 s ILE 2 Ca 0.00 -2.25 -0.01 0.00 -0.26 0.00 0.00 60.65 58.14 1m94 s ILE 2 Cb 0.00 -2.50 -0.02 0.00 1.25 0.00 0.00 42.46 41.19 1m94 s ILE 2 CO 0.00 -0.34 -0.11 -1.83 0.24 0.00 0.00 174.94 172.91 1m94 s GLU 3 N -3.58 3.34 0.15 0.37 1.03 -1.26 -1.10 118.70 117.65 1m94 s GLU 3 Ca 0.31 -0.64 0.06 0.00 0.03 0.00 0.00 54.97 54.73 1m94 s GLU 3 Cb -0.03 -2.67 -0.04 0.00 -0.80 0.00 0.00 34.13 30.58 1m94 s GLU 3 CO 0.17 0.29 -0.12 0.14 -1.33 0.00 0.00 175.26 174.40 1m94 s VAL 4 N 0.18 1.33 -0.06 1.83 -7.23 -0.07 0.52 120.40 116.89 1m94 s VAL 4 Ca -0.06 -1.97 0.03 0.00 -1.81 0.00 0.00 61.98 58.18 1m94 s VAL 4 Cb -0.15 -1.77 -0.02 0.00 0.56 0.00 0.00 36.38 35.00 1m94 s VAL 4 CO 0.04 -0.61 -0.16 0.68 -0.31 0.00 0.00 175.10 174.75 1m94 s VAL 5 N -2.84 2.88 -0.15 1.32 -7.23 -0.95 -1.65 120.40 111.77 1m94 s VAL 5 Ca 0.15 -0.78 0.01 0.00 -1.81 0.00 0.00 61.98 59.56 1m94 s VAL 5 Cb -0.01 -2.13 0.02 0.00 0.56 0.00 0.00 36.38 34.82 1m94 s VAL 5 CO 0.03 0.57 -0.18 0.68 -0.31 0.00 0.00 175.10 175.89 1m94 s VAL 6 N -0.44 1.87 -0.03 1.32 -7.23 -0.49 -0.35 120.40 115.04 1m94 s VAL 6 Ca 0.05 -0.83 0.01 0.00 -1.81 0.00 0.00 61.98 59.40 1m94 s VAL 6 Cb -0.12 -1.69 -0.03 0.00 0.56 0.00 0.00 36.38 35.09 1m94 s VAL 6 CO 0.02 0.51 -0.03 0.54 -0.31 0.00 0.00 175.10 175.83 1m94 s ASN 7 N 1.21 4.94 0.00 4.85 2.20 -0.57 -1.16 114.94 126.41 1m94 s ASN 7 Ca 0.01 -0.01 0.00 0.00 -0.94 0.00 0.00 52.86 51.92 1m94 s ASN 7 Cb -0.14 -1.27 0.00 0.00 -2.00 0.00 0.00 41.25 37.84 1m94 s ASN 7 CO -0.09 0.32 0.05 0.47 -2.94 0.00 0.00 177.10 174.92 1m94 n ASP 8 N 1.76 0.00 0.03 3.54 9.92 0.16 -0.44 116.55 131.52 1m94 n ASP 8 Ca -0.16 0.17 0.00 0.00 -0.53 0.00 0.00 54.79 54.27 1m94 n ASP 8 Cb 0.53 -0.13 0.00 0.00 -0.64 0.00 0.00 41.12 40.88 1m94 n ASP 8 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1m94 n ARG 9 N -0.88 0.00 0.03 -1.24 3.00 -1.26 -4.49 116.66 111.82 1m94 n ARG 9 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.84 1m94 n ARG 9 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.45 1m94 n ARG 9 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.63 178.88 1m94 h LEU 10 N 0.00 -0.08 -5.00 6.15 6.46 -1.99 -3.46 115.31 117.39 1m94 h LEU 10 Ca 0.00 0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.63 1m94 h LEU 10 Cb 0.00 0.02 -0.11 0.00 -0.73 0.00 0.00 40.66 39.84 1m94 h LEU 10 CO 0.00 -0.03 -0.02 0.61 -0.62 0.00 0.00 178.44 178.37 1m94 n GLY 11 N 0.14 -0.75 2.61 3.75 0.00 -1.26 -5.12 105.19 104.56 1m94 n GLY 11 Ca -0.01 0.45 -0.27 0.00 0.00 0.00 0.00 46.02 46.19 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 0.09 0.15 0.16 1.61 2.20 -1.26 -5.04 119.74 117.65 1m94 s LYS 12 Ca 0.17 -0.22 0.08 0.00 -0.36 0.00 0.00 55.97 55.64 1m94 s LYS 12 Cb 0.25 -1.71 -0.04 0.00 -1.51 0.00 0.00 37.83 34.82 1m94 s LYS 12 CO -0.13 -0.75 -0.17 -1.59 -0.36 0.00 0.00 175.35 172.36 1m94 s LYS 13 N 2.10 1.23 0.06 4.03 -2.85 -1.26 -0.67 119.74 122.38 1m94 s LYS 13 Ca 0.03 -1.41 -0.00 0.00 -1.00 0.00 0.00 55.97 53.60 1m94 s LYS 13 Cb -0.16 -1.20 -0.04 0.00 -2.06 0.00 0.00 37.83 34.37 1m94 s LYS 13 CO -0.15 0.23 -0.04 0.14 0.10 0.00 0.00 175.35 175.63 1m94 s VAL 14 N -2.25 0.32 -0.13 1.79 -7.23 -0.30 -4.96 120.40 107.65 1m94 s VAL 14 Ca 0.16 -1.74 -0.03 0.00 -1.81 0.00 0.00 61.98 58.56 1m94 s VAL 14 Cb -0.05 -1.42 -0.03 0.00 0.56 0.00 0.00 36.38 35.44 1m94 s VAL 14 CO 0.06 -0.91 -0.03 -0.13 -0.31 0.00 0.00 175.10 173.78 1m94 s ARG 15 N -3.62 3.38 -0.06 4.82 3.00 -1.26 -1.39 118.95 123.81 1m94 s ARG 15 Ca 0.06 -0.49 -0.05 0.00 0.00 0.00 0.00 55.73 55.24 1m94 s ARG 15 Cb 0.05 -2.85 0.02 0.00 0.00 0.00 0.00 34.95 32.17 1m94 s ARG 15 CO -0.08 0.42 0.16 0.54 0.00 0.00 0.00 175.30 176.34 1m94 s VAL 16 N -0.12 -0.00 -0.07 3.52 0.11 -0.66 -5.00 120.40 118.17 1m94 s VAL 16 Ca 0.03 0.02 0.03 0.00 -2.93 0.00 0.00 61.98 59.12 1m94 s VAL 16 Cb -0.13 -0.23 -0.02 0.00 -1.53 0.00 0.00 36.38 34.47 1m94 s VAL 16 CO 0.02 0.01 -0.15 -1.59 -3.33 0.00 0.00 175.10 170.06 1m94 s LYS 17 N 0.20 2.78 0.07 1.54 -2.85 -1.26 -0.90 119.74 119.32 1m94 s LYS 17 Ca -0.01 -0.71 -0.15 0.00 -1.00 0.00 0.00 55.97 54.10 1m94 s LYS 17 Cb -0.02 -2.44 0.03 0.00 -2.06 0.00 0.00 37.83 33.34 1m94 s LYS 17 CO -0.00 0.48 0.35 0.00 0.10 0.00 0.00 175.35 176.28 1m94 s LEU 19 N -2.36 4.36 0.62 0.00 1.43 -1.26 -1.64 118.68 119.83 1m94 s LEU 19 Ca -0.02 1.97 0.38 0.00 -1.03 0.00 0.00 54.13 55.43 1m94 s LEU 19 Cb 0.01 -3.95 2.03 0.00 0.03 0.00 0.00 46.19 44.31 1m94 s LEU 19 CO -0.07 -0.16 2.26 0.00 0.23 0.00 0.00 176.35 178.61 1m94 h ALA 20 N 3.22 1.14 0.00 4.21 0.00 -1.95 -0.89 119.26 124.98 1m94 h ALA 20 Ca -0.47 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 1m94 h ALA 20 Cb 1.20 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1m94 h ALA 20 CO 0.65 0.02 -0.33 1.05 0.00 0.00 0.00 179.25 180.65 1m94 h GLU 21 N 0.00 0.00 -7.18 0.00 -0.00 -1.95 0.44 114.58 105.90 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 0.12 0.00 0.14 0.00 -0.00 0.00 0.00 28.75 29.01 1m94 h GLU 21 CO 0.00 0.27 0.39 -0.51 -0.00 0.00 0.00 179.01 179.17 1m94 s ASP 22 N -6.31 4.48 0.62 3.06 1.01 -0.34 -4.68 116.67 114.50 1m94 s ASP 22 Ca 0.05 2.28 -0.05 0.00 0.71 0.00 0.00 52.55 55.54 1m94 s ASP 22 Cb 0.07 -2.58 0.03 0.00 1.01 0.00 0.00 42.92 41.44 1m94 s ASP 22 CO 0.72 -2.07 0.91 -0.94 0.21 0.00 0.00 175.17 174.00 1m94 s SER 23 N -2.12 5.30 0.39 0.27 1.04 -1.26 -1.40 113.70 115.91 1m94 s SER 23 Ca 0.73 0.50 0.06 0.00 0.48 0.00 0.00 55.95 57.72 1m94 s SER 23 Cb -0.27 -1.38 0.77 0.00 0.10 0.00 0.00 66.02 65.24 1m94 s SER 23 CO 0.43 -1.23 2.02 0.58 0.98 0.00 0.00 173.24 176.02 1m94 h VAL 24 N -0.25 1.13 -0.50 5.02 2.07 -1.60 -1.40 116.25 120.71 1m94 h VAL 24 Ca -0.45 -0.31 0.04 0.00 0.82 0.00 0.00 66.70 66.81 1m94 h VAL 24 Cb 1.28 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 1m94 h VAL 24 CO 0.59 0.14 0.25 1.23 0.02 0.00 0.00 177.57 179.80 1m94 h GLY 25 N 0.66 0.70 1.31 2.17 0.00 -1.80 0.12 103.07 106.23 1m94 h GLY 25 Ca 0.16 -0.17 -0.11 0.00 0.00 0.00 0.00 47.33 47.21 1m94 h GLY 25 CO -0.03 0.11 -0.16 -1.80 0.00 0.00 0.00 176.54 174.66 1m94 h ASP 26 N 0.49 0.81 -0.88 0.19 3.58 -1.71 -1.35 116.42 117.55 1m94 h ASP 26 Ca 0.22 -0.27 -0.00 0.00 0.42 0.00 0.00 57.03 57.40 1m94 h ASP 26 Cb 0.14 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 40.92 1m94 h ASP 26 CO -0.16 0.97 0.53 0.15 -2.88 0.00 0.00 179.24 177.86 1m94 h PHE 27 N 0.72 1.16 -0.09 0.28 3.57 -0.22 -1.48 116.94 120.88 1m94 h PHE 27 Ca 0.11 -0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.47 1m94 h PHE 27 Cb 0.67 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1m94 h PHE 27 CO 0.04 0.77 -0.57 0.87 -2.23 0.00 0.00 178.31 177.18 1m94 h LYS 28 N 1.21 0.27 -0.56 1.11 1.57 -0.52 -2.59 116.57 117.07 1m94 h LYS 28 Ca 0.32 -0.18 -0.07 0.00 -1.87 0.00 0.00 60.65 58.85 1m94 h LYS 28 Cb -0.06 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1m94 h LYS 28 CO -0.06 0.77 0.08 0.87 -0.57 0.00 0.00 179.45 180.54 1m94 h LYS 29 N 0.21 0.93 -0.26 3.15 1.57 -0.49 0.15 116.57 121.83 1m94 h LYS 29 Ca -0.00 -0.26 -0.13 0.00 -1.87 0.00 0.00 60.65 58.40 1m94 h LYS 29 Cb 1.07 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 1m94 h LYS 29 CO 0.09 0.90 -0.37 0.28 -0.57 0.00 0.00 179.45 179.78 1m94 h VAL 30 N 0.82 1.29 -0.03 0.50 2.07 -1.24 -3.04 116.25 116.62 1m94 h VAL 30 Ca 0.17 -1.51 -0.02 0.00 0.82 0.00 0.00 66.70 66.16 1m94 h VAL 30 Cb 0.43 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 1m94 h VAL 30 CO 0.01 0.48 -0.05 -0.07 0.02 0.00 0.00 177.57 177.97 1m94 h LEU 31 N 0.49 0.09 -2.03 2.57 3.38 -1.20 -3.05 115.31 115.56 1m94 h LEU 31 Ca 0.05 -0.55 0.02 0.00 0.09 0.00 0.00 57.88 57.49 1m94 h LEU 31 Cb 0.86 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 1m94 h LEU 31 CO 0.07 0.62 0.33 0.77 0.09 0.00 0.00 178.44 180.33 1m94 h SER 32 N -0.44 0.00 -0.05 -0.43 4.64 -0.70 -0.55 113.55 116.03 1m94 h SER 32 Ca 0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 1m94 h SER 32 Cb 0.60 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.71 1m94 h SER 32 CO 0.01 0.00 -0.84 -0.07 -0.87 0.00 0.00 176.83 175.06 1m94 h LEU 33 N 0.00 0.83 0.12 5.97 -0.00 -1.42 0.23 115.31 121.04 1m94 h LEU 33 Ca 0.03 -0.70 -0.29 0.00 -0.00 0.00 0.00 57.88 56.91 1m94 h LEU 33 Cb 0.69 -0.25 -0.00 0.00 -0.00 0.00 0.00 40.66 41.10 1m94 h LEU 33 CO -0.00 1.41 -1.42 0.06 -0.00 0.00 0.00 178.44 178.49 1m94 h GLN 34 N 0.32 0.26 0.00 1.13 3.07 -1.21 -3.35 115.11 115.32 1m94 h GLN 34 Ca -0.09 -0.45 -0.15 0.00 0.09 0.00 0.00 58.65 58.05 1m94 h GLN 34 Cb 1.50 0.17 -0.03 0.00 0.08 0.00 0.00 27.48 29.20 1m94 h GLN 34 CO 0.17 1.15 -1.54 0.44 0.09 0.00 0.00 178.83 179.14 1m94 n ILE 35 N -3.48 1.02 -2.89 1.86 -5.35 -0.65 -4.99 119.36 104.87 1m94 n ILE 35 Ca -0.13 -0.67 -0.10 0.00 -0.27 0.00 0.00 62.75 61.57 1m94 n ILE 35 Cb 1.04 -0.59 0.04 0.00 -1.74 0.00 0.00 39.64 38.40 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 1.40 0.10 0.17 3.28 0.00 0.79 -4.94 105.19 105.99 1m94 n GLY 36 Ca -0.11 -0.19 0.02 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.17 0.25 -1.12 2.61 -1.04 -1.21 -5.05 114.28 105.55 1m94 n THR 37 Ca -0.08 -0.63 0.03 0.00 -2.04 0.00 0.00 64.05 61.33 1m94 n THR 37 Cb 0.56 0.94 -0.01 0.00 -1.82 0.00 0.00 70.33 69.99 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 0.13 -2.86 0.18 -2.82 6.02 -1.26 -3.60 117.38 113.17 1m94 n GLN 38 Ca 0.03 2.24 0.14 0.00 -0.01 0.00 0.00 57.00 59.40 1m94 n GLN 38 Cb 0.15 -2.88 0.47 0.00 1.02 0.00 0.00 30.24 29.00 1m94 n GLN 38 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1m94 h PRO 39 N -0.12 0.00 0.00 -1.09 0.13 -1.92 -2.90 132.00 126.09 1m94 h PRO 39 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1m94 h PRO 39 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1m94 h PRO 39 CO 0.01 0.00 -0.56 -0.91 -0.23 0.00 0.00 178.00 176.31 1m94 h ASN 40 N 0.00 0.00 -0.14 1.44 2.35 -1.94 -3.32 115.58 113.97 1m94 h ASN 40 Ca 0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 1m94 h ASN 40 Cb 0.60 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.97 1m94 h ASN 40 CO 0.00 0.04 0.00 0.29 -1.65 0.00 0.00 177.43 176.11 1m94 n LYS 41 N -2.53 1.52 -3.66 0.81 5.02 -1.12 -4.87 118.16 113.33 1m94 n LYS 41 Ca 0.03 -1.60 -0.37 0.00 -2.02 0.00 0.00 58.31 54.35 1m94 n LYS 41 Cb 0.50 -1.29 -0.11 0.00 -0.02 0.00 0.00 35.03 34.11 1m94 n LYS 41 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1m94 s ILE 42 N -1.12 5.17 -0.37 -0.18 1.01 -1.11 -1.78 121.20 122.82 1m94 s ILE 42 Ca 0.20 0.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.94 1m94 s ILE 42 Cb 0.13 -3.44 0.08 0.00 0.01 0.00 0.00 42.46 39.24 1m94 s ILE 42 CO 0.18 0.30 0.14 -0.69 0.00 0.00 0.00 174.94 174.88 1m94 s VAL 43 N 1.43 3.36 0.03 2.92 1.01 0.54 -4.95 120.40 124.75 1m94 s VAL 43 Ca 0.07 -1.69 -0.03 0.00 0.00 0.00 0.00 61.98 60.33 1m94 s VAL 43 Cb -0.15 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 1m94 s VAL 43 CO 0.07 -0.45 0.23 -0.76 0.00 0.00 0.00 175.10 174.19 1m94 s LEU 44 N 1.23 4.35 -0.03 3.92 1.43 -1.26 -0.75 118.68 127.57 1m94 s LEU 44 Ca 0.03 0.39 0.02 0.00 -1.03 0.00 0.00 54.13 53.54 1m94 s LEU 44 Cb -0.22 -2.82 0.01 0.00 0.03 0.00 0.00 46.19 43.20 1m94 s LEU 44 CO -0.02 0.21 -0.06 -1.10 0.23 0.00 0.00 176.35 175.61 1m94 s GLN 45 N -2.17 0.84 -0.61 1.70 -0.21 -0.66 -0.49 119.66 118.06 1m94 s GLN 45 Ca 0.31 -0.18 -0.14 0.00 0.02 0.00 0.00 55.36 55.37 1m94 s GLN 45 Cb -0.13 -0.81 0.15 0.00 1.00 0.00 0.00 33.01 33.22 1m94 s GLN 45 CO 0.22 0.01 0.55 0.21 -2.12 0.00 0.00 175.29 174.16 1m94 s LYS 46 N 0.56 3.08 1.59 2.91 2.20 -0.46 -0.46 119.74 129.16 1m94 s LYS 46 Ca -0.08 -1.96 0.00 0.00 -0.36 0.00 0.00 55.97 53.57 1m94 s LYS 46 Cb -0.11 -4.26 0.00 0.00 -1.51 0.00 0.00 37.83 31.94 1m94 s LYS 46 CO 0.00 -1.29 0.00 0.41 -0.36 0.00 0.00 175.35 174.11 1m94 n GLY 47 N 4.78 1.78 2.66 5.54 0.00 -1.26 -3.32 105.19 115.36 1m94 n GLY 47 Ca -0.05 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 1.85 3.39 -0.02 0.00 -1.26 -5.00 105.19 104.15 1m94 n GLY 48 Ca 0.00 -1.38 -0.13 0.00 0.00 0.00 0.00 46.02 44.51 1m94 n GLY 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1m94 s SER 49 N -3.20 -0.53 0.00 1.61 1.04 -1.21 -5.14 113.70 106.27 1m94 s SER 49 Ca 0.29 1.01 -0.30 0.00 0.48 0.00 0.00 55.95 57.43 1m94 s SER 49 Cb 0.45 1.01 -0.03 0.00 0.10 0.00 0.00 66.02 67.54 1m94 s SER 49 CO 0.02 -0.18 0.97 -0.69 0.98 0.00 0.00 173.24 174.35 1m94 s VAL 50 N 0.40 4.85 -0.12 5.02 1.01 -1.26 -1.35 120.40 128.95 1m94 s VAL 50 Ca -0.01 2.05 -0.24 0.00 0.00 0.00 0.00 61.98 63.78 1m94 s VAL 50 Cb -0.04 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 32.00 1m94 s VAL 50 CO -0.01 0.17 0.74 -0.76 0.00 0.00 0.00 175.10 175.24 1m94 s LEU 51 N 0.95 4.25 0.03 3.92 1.43 0.36 -4.92 118.68 124.69 1m94 s LEU 51 Ca 0.51 1.15 0.07 0.00 -1.03 0.00 0.00 54.13 54.83 1m94 s LEU 51 Cb -0.21 -3.12 -0.03 0.00 0.03 0.00 0.00 46.19 42.86 1m94 s LEU 51 CO 0.28 -0.23 -0.18 -0.75 0.23 0.00 0.00 176.35 175.69 1m94 s LYS 52 N 1.41 2.13 0.57 1.70 2.47 -1.26 -4.57 119.74 122.19 1m94 s LYS 52 Ca 0.37 -0.94 0.27 0.00 -1.56 0.00 0.00 55.97 54.11 1m94 s LYS 52 Cb -0.17 -2.21 1.62 0.00 -1.46 0.00 0.00 37.83 35.61 1m94 s LYS 52 CO 0.15 0.55 2.14 0.38 0.16 0.00 0.00 175.35 178.73 1m94 h ASP 53 N 4.70 0.00 0.63 1.43 2.03 -1.96 -0.40 116.42 122.85 1m94 h ASP 53 Ca -0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 1m94 h ASP 53 Cb 1.15 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.65 1m94 h ASP 53 CO 0.48 0.00 0.00 0.45 -1.03 0.00 0.00 179.24 179.14 1m94 h HIS 54 N 0.00 0.00 -3.34 4.15 3.86 -1.97 -3.37 115.15 114.48 1m94 h HIS 54 Ca 0.07 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 58.63 1m94 h HIS 54 Cb 0.35 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 28.69 1m94 h HIS 54 CO 0.00 0.00 -0.67 0.42 0.86 0.00 0.00 177.93 178.54 1m94 s ILE 55 N -3.55 3.89 0.42 2.45 1.09 -0.16 -5.03 121.20 120.31 1m94 s ILE 55 Ca 0.01 -1.07 -0.06 0.00 -1.10 0.00 0.00 60.65 58.43 1m94 s ILE 55 Cb 0.09 -2.86 -0.04 0.00 -1.06 0.00 0.00 42.46 38.59 1m94 s ILE 55 CO 0.41 0.10 0.73 -0.55 -0.10 0.00 0.00 174.94 175.52 1m94 s SER 56 N -2.36 6.35 0.30 3.58 0.15 -1.26 -2.07 113.70 118.39 1m94 s SER 56 Ca 0.25 0.90 -0.01 0.00 0.70 0.00 0.00 55.95 57.79 1m94 s SER 56 Cb -0.11 -2.23 0.46 0.00 -1.71 0.00 0.00 66.02 62.42 1m94 s SER 56 CO 0.18 -0.46 1.91 -0.07 1.20 0.00 0.00 173.24 176.00 1m94 h LEU 57 N 0.72 0.83 -1.74 3.45 3.38 -1.36 -1.84 115.31 118.76 1m94 h LEU 57 Ca -0.47 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.41 1m94 h LEU 57 Cb 1.20 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1m94 h LEU 57 CO 0.63 0.69 0.02 1.05 0.09 0.00 0.00 178.44 180.92 1m94 h GLU 58 N 0.93 0.18 -0.30 1.13 4.11 -1.12 -1.60 114.58 117.91 1m94 h GLU 58 Ca 0.23 -0.02 -0.07 0.00 0.07 0.00 0.00 59.36 59.57 1m94 h GLU 58 Cb 0.07 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1m94 h GLU 58 CO -0.03 0.19 -0.08 -0.44 0.07 0.00 0.00 179.01 178.72 1m94 h ASP 59 N 0.19 0.59 0.97 3.06 5.19 -1.63 -2.60 116.42 122.19 1m94 h ASP 59 Ca 0.05 -0.37 0.00 0.00 -0.62 0.00 0.00 57.03 56.09 1m94 h ASP 59 Cb 0.10 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.44 1m94 h ASP 59 CO -0.00 0.82 0.00 1.88 -3.12 0.00 0.00 179.24 178.82 1m94 h TYR 60 N 0.35 0.00 -3.21 4.55 0.05 -1.33 -3.47 116.97 113.91 1m94 h TYR 60 Ca 0.08 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.80 1m94 h TYR 60 Cb 0.57 0.00 0.04 0.00 1.01 0.00 0.00 36.73 38.35 1m94 h TYR 60 CO 0.05 0.00 -0.17 -1.91 -1.05 0.00 0.00 178.16 175.08 1m94 n GLU 61 N -2.58 -0.83 -2.84 4.88 4.07 -0.65 -5.00 120.64 117.69 1m94 n GLU 61 Ca 0.02 0.18 -0.42 0.00 -0.06 0.00 0.00 57.16 56.88 1m94 n GLU 61 Cb 0.29 -2.72 -0.04 0.00 -0.06 0.00 0.00 31.44 28.91 1m94 n GLU 61 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1m94 s VAL 62 N -3.08 4.65 0.49 6.31 1.01 -1.12 -5.04 120.40 123.63 1m94 s VAL 62 Ca 0.06 1.24 0.09 0.00 0.00 0.00 0.00 61.98 63.36 1m94 s VAL 62 Cb -0.01 -4.28 0.04 0.00 0.00 0.00 0.00 36.38 32.14 1m94 s VAL 62 CO 0.15 -0.43 0.66 -1.00 0.00 0.00 0.00 175.10 174.48 1m94 s HIS 63 N 3.31 2.16 0.29 5.22 3.76 -1.26 -4.88 115.29 123.89 1m94 s HIS 63 Ca 0.37 -0.56 -0.29 0.00 -0.15 0.00 0.00 55.06 54.43 1m94 s HIS 63 Cb -0.13 -2.29 -0.10 0.00 1.11 0.00 0.00 32.58 31.18 1m94 s HIS 63 CO 0.16 -0.73 1.28 0.34 -0.85 0.00 0.00 174.74 174.93 1m94 s ASP 64 N -4.48 6.88 -1.39 1.40 -1.08 -1.26 -2.96 116.67 113.79 1m94 s ASP 64 Ca 0.57 2.56 -0.10 0.00 -0.52 0.00 0.00 52.55 55.06 1m94 s ASP 64 Cb -0.08 -2.64 0.02 0.00 -1.46 0.00 0.00 42.92 38.77 1m94 s ASP 64 CO 0.35 -0.47 1.15 0.00 0.52 0.00 0.00 175.17 176.72 1m94 n GLN 65 N 1.30 -7.55 -3.10 4.34 1.13 0.18 -4.96 117.38 108.73 1m94 n GLN 65 Ca 0.01 0.79 -0.27 0.00 -1.94 0.00 0.00 57.00 55.59 1m94 n GLN 65 Cb 0.42 -5.82 -0.02 0.00 0.11 0.00 0.00 30.24 24.94 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 -3.32 4.99 -0.19 5.09 -1.32 -1.15 -4.90 115.64 114.84 1m94 s THR 66 Ca 0.59 0.01 -0.12 0.00 -1.21 0.00 0.00 61.69 60.95 1m94 s THR 66 Cb -0.27 -3.81 -0.05 0.00 -1.51 0.00 0.00 72.50 66.87 1m94 s THR 66 CO 0.75 -0.56 0.22 0.20 -2.21 0.00 0.00 174.62 173.02 1m94 s ASN 67 N -3.68 6.31 0.25 8.08 -0.87 -1.26 -2.25 114.94 121.51 1m94 s ASN 67 Ca 0.45 0.35 0.07 0.00 -1.57 0.00 0.00 52.86 52.16 1m94 s ASN 67 Cb -0.10 -2.14 -0.05 0.00 -0.02 0.00 0.00 41.25 38.94 1m94 s ASN 67 CO 0.36 0.11 -0.10 -0.76 -2.57 0.00 0.00 177.10 174.14 1m94 s LEU 68 N 0.56 2.52 0.02 0.60 1.43 0.53 -4.31 118.68 120.03 1m94 s LEU 68 Ca 0.12 -1.11 0.01 0.00 -1.03 0.00 0.00 54.13 52.12 1m94 s LEU 68 Cb -0.12 -0.68 -0.04 0.00 0.03 0.00 0.00 46.19 45.38 1m94 s LEU 68 CO 0.02 -0.25 0.06 -1.61 0.23 0.00 0.00 176.35 174.80 1m94 s GLU 69 N -3.68 2.94 -0.08 1.70 8.01 0.39 -1.51 118.70 126.47 1m94 s GLU 69 Ca 0.27 -0.57 0.03 0.00 0.01 0.00 0.00 54.97 54.70 1m94 s GLU 69 Cb 0.01 -2.78 0.01 0.00 -4.31 0.00 0.00 34.13 27.07 1m94 s GLU 69 CO 0.10 0.62 -0.16 -1.17 0.01 0.00 0.00 175.26 174.66 1m94 s LEU 70 N -1.87 1.78 0.05 1.80 2.96 0.41 -1.65 118.68 122.15 1m94 s LEU 70 Ca 0.24 -0.40 0.02 0.00 -0.22 0.00 0.00 54.13 53.78 1m94 s LEU 70 Cb -0.12 -1.04 -0.03 0.00 0.50 0.00 0.00 46.19 45.51 1m94 s LEU 70 CO 0.15 0.06 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.85 1m94 s TYR 71 N 0.65 0.73 -0.22 5.38 2.02 0.07 -4.07 117.35 121.91 1m94 s TYR 71 Ca -0.14 -0.52 -0.05 0.00 -0.37 0.00 0.00 57.07 55.99 1m94 s TYR 71 Cb -0.16 -0.43 -0.02 0.00 -0.40 0.00 0.00 41.96 40.95 1m94 s TYR 71 CO 0.04 -0.08 0.00 0.71 -1.57 0.00 0.00 175.55 174.65 1m94 s TYR 72 N -1.51 3.02 0.00 2.71 2.02 -1.26 -0.34 117.35 121.99 1m94 s TYR 72 Ca -0.08 -0.60 0.00 0.00 -0.37 0.00 0.00 57.07 56.02 1m94 s TYR 72 Cb -0.09 -2.13 0.00 0.00 -0.40 0.00 0.00 41.96 39.34 1m94 s TYR 72 CO 0.00 -0.37 0.00 -0.11 -1.57 0.00 0.00 175.55 173.51