#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 2.32 -0.17 2.02 -4.36 -0.13 -4.89 121.20 116.00 1m94 s ILE 2 Ca 0.00 -2.33 -0.08 0.00 -0.26 0.00 0.00 60.65 57.97 1m94 s ILE 2 Cb 0.00 -2.23 -0.04 0.00 1.25 0.00 0.00 42.46 41.44 1m94 s ILE 2 CO 0.00 -0.41 0.12 -0.70 0.24 0.00 0.00 174.94 174.19 1m94 s GLU 3 N -3.45 3.86 0.03 0.37 -6.30 -1.26 -1.50 118.70 110.45 1m94 s GLU 3 Ca 0.28 -0.22 0.03 0.00 -2.50 0.00 0.00 54.97 52.56 1m94 s GLU 3 Cb -0.04 -3.29 -0.02 0.00 0.00 0.00 0.00 34.13 30.78 1m94 s GLU 3 CO 0.13 0.47 -0.09 0.14 0.02 0.00 0.00 175.26 175.93 1m94 s VAL 4 N -0.16 0.70 -0.11 3.70 -7.23 -0.67 0.22 120.40 116.86 1m94 s VAL 4 Ca 0.10 -0.89 0.00 0.00 -1.81 0.00 0.00 61.98 59.38 1m94 s VAL 4 Cb -0.12 -0.69 -0.02 0.00 0.56 0.00 0.00 36.38 36.12 1m94 s VAL 4 CO 0.00 -0.17 -0.11 0.68 -0.31 0.00 0.00 175.10 175.19 1m94 s VAL 5 N -0.97 3.25 -0.07 1.32 -7.23 -1.07 -1.98 120.40 113.65 1m94 s VAL 5 Ca -0.04 -0.61 0.03 0.00 -1.81 0.00 0.00 61.98 59.55 1m94 s VAL 5 Cb -0.08 -2.35 -0.02 0.00 0.56 0.00 0.00 36.38 34.49 1m94 s VAL 5 CO 0.01 0.55 -0.15 0.68 -0.31 0.00 0.00 175.10 175.87 1m94 s VAL 6 N -0.07 2.97 -0.39 1.32 -7.23 -0.65 -0.32 120.40 116.03 1m94 s VAL 6 Ca -0.02 -0.74 -0.14 0.00 -1.81 0.00 0.00 61.98 59.27 1m94 s VAL 6 Cb -0.14 -2.17 0.01 0.00 0.56 0.00 0.00 36.38 34.64 1m94 s VAL 6 CO 0.03 0.58 0.28 0.20 -0.31 0.00 0.00 175.10 175.88 1m94 s ASN 7 N -0.48 6.06 0.74 4.85 0.01 -0.60 -1.59 114.94 123.94 1m94 s ASN 7 Ca 0.06 -0.82 -0.13 0.00 -0.71 0.00 0.00 52.86 51.26 1m94 s ASN 7 Cb -0.12 -2.14 0.05 0.00 0.41 0.00 0.00 41.25 39.44 1m94 s ASN 7 CO 0.02 -0.40 1.15 -1.81 -1.51 0.00 0.00 177.10 174.54 1m94 s ASP 8 N 1.68 4.34 0.29 -1.22 1.11 0.23 -1.02 116.67 122.07 1m94 s ASP 8 Ca 0.05 2.13 0.08 0.00 0.18 0.00 0.00 52.55 54.99 1m94 s ASP 8 Cb -0.19 -2.56 0.44 0.00 1.07 0.00 0.00 42.92 41.68 1m94 s ASP 8 CO 0.10 -2.16 1.68 -0.09 1.18 0.00 0.00 175.17 175.88 1m94 h ARG 9 N -0.57 0.16 -0.28 8.23 2.43 -1.54 -3.16 114.38 119.65 1m94 h ARG 9 Ca -0.46 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 58.60 1m94 h ARG 9 Cb 1.26 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 1m94 h ARG 9 CO 0.50 0.60 0.06 -0.07 -1.51 0.00 0.00 179.97 179.56 1m94 h LEU 10 N 0.13 0.42 0.00 3.80 3.38 -1.92 -3.47 115.31 117.65 1m94 h LEU 10 Ca 0.01 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1m94 h LEU 10 Cb 0.89 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1m94 h LEU 10 CO 0.07 0.55 0.00 0.61 0.09 0.00 0.00 178.44 179.76 1m94 n GLY 11 N -0.54 -0.05 3.26 0.83 0.00 -1.19 -5.17 105.19 102.33 1m94 n GLY 11 Ca -0.03 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 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 0.78 0.07 1.61 2.20 -1.26 -4.98 119.74 118.17 1m94 s LYS 12 Ca 0.00 -0.37 0.09 0.00 -0.36 0.00 0.00 55.97 55.33 1m94 s LYS 12 Cb 0.00 0.34 -0.03 0.00 -1.51 0.00 0.00 37.83 36.63 1m94 s LYS 12 CO 0.00 -0.24 -0.25 -1.59 -0.36 0.00 0.00 175.35 172.91 1m94 s LYS 13 N -2.11 1.56 0.04 4.03 -2.85 -1.26 0.74 119.74 119.89 1m94 s LYS 13 Ca -0.08 -1.14 0.08 0.00 -1.00 0.00 0.00 55.97 53.82 1m94 s LYS 13 Cb -0.02 -1.82 -0.03 0.00 -2.06 0.00 0.00 37.83 33.90 1m94 s LYS 13 CO -0.00 0.46 -0.22 0.08 0.10 0.00 0.00 175.35 175.76 1m94 s VAL 14 N -0.90 1.77 -0.23 1.79 1.01 -0.62 -4.93 120.40 118.28 1m94 s VAL 14 Ca 0.11 -1.23 -0.06 0.00 0.00 0.00 0.00 61.98 60.80 1m94 s VAL 14 Cb -0.10 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1m94 s VAL 14 CO 0.03 0.25 0.04 -0.13 0.00 0.00 0.00 175.10 175.30 1m94 s ARG 15 N -1.16 3.65 -0.00 2.72 3.00 -1.26 -1.64 118.95 124.26 1m94 s ARG 15 Ca 0.08 -0.49 0.04 0.00 0.00 0.00 0.00 55.73 55.36 1m94 s ARG 15 Cb -0.09 -3.23 -0.01 0.00 0.00 0.00 0.00 34.95 31.62 1m94 s ARG 15 CO 0.02 -0.11 -0.13 0.54 0.00 0.00 0.00 175.30 175.62 1m94 s VAL 16 N 1.36 1.01 -0.19 3.52 0.11 -0.84 -4.99 120.40 120.38 1m94 s VAL 16 Ca 0.05 -0.60 -0.05 0.00 -2.93 0.00 0.00 61.98 58.46 1m94 s VAL 16 Cb -0.15 -0.85 -0.02 0.00 -1.53 0.00 0.00 36.38 33.83 1m94 s VAL 16 CO 0.02 0.25 -0.01 -0.75 -3.33 0.00 0.00 175.10 171.28 1m94 s LYS 17 N -0.40 3.62 0.04 1.54 2.20 -1.26 -1.67 119.74 123.80 1m94 s LYS 17 Ca 0.04 -0.53 -0.16 0.00 -0.36 0.00 0.00 55.97 54.96 1m94 s LYS 17 Cb -0.05 -3.04 0.03 0.00 -1.51 0.00 0.00 37.83 33.26 1m94 s LYS 17 CO -0.00 0.05 0.37 0.00 -0.36 0.00 0.00 175.35 175.41 1m94 s LEU 19 N -1.99 3.91 0.56 0.00 1.43 -1.26 -0.96 118.68 120.37 1m94 s LEU 19 Ca -0.06 1.73 0.36 0.00 -1.03 0.00 0.00 54.13 55.14 1m94 s LEU 19 Cb -0.01 -4.54 1.62 0.00 0.03 0.00 0.00 46.19 43.29 1m94 s LEU 19 CO -0.02 -0.45 2.07 0.00 0.23 0.00 0.00 176.35 178.17 1m94 h ALA 20 N 1.82 1.00 0.00 4.21 0.00 -1.95 -2.01 119.26 122.32 1m94 h ALA 20 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1m94 h ALA 20 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1m94 h ALA 20 CO 0.61 0.00 0.00 1.05 0.00 0.00 0.00 179.25 180.91 1m94 h GLU 21 N 0.00 0.00 -7.03 0.00 -0.00 -1.94 0.46 114.58 106.07 1m94 h GLU 21 Ca 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 59.36 58.85 1m94 h GLU 21 Cb 0.36 0.00 0.07 0.00 -0.00 0.00 0.00 28.75 29.18 1m94 h GLU 21 CO 0.00 0.00 0.48 -0.51 -0.00 0.00 0.00 179.01 178.98 1m94 s ASP 22 N -4.93 5.97 0.74 3.06 1.01 -0.76 -4.73 116.67 117.04 1m94 s ASP 22 Ca 0.09 2.32 -0.11 0.00 0.71 0.00 0.00 52.55 55.55 1m94 s ASP 22 Cb 0.10 -2.60 0.04 0.00 1.01 0.00 0.00 42.92 41.47 1m94 s ASP 22 CO 0.60 -1.06 1.10 -0.94 0.21 0.00 0.00 175.17 175.08 1m94 s SER 23 N -1.42 5.07 0.32 0.27 1.04 -1.26 -1.78 113.70 115.94 1m94 s SER 23 Ca 0.67 1.18 0.01 0.00 0.48 0.00 0.00 55.95 58.29 1m94 s SER 23 Cb -0.29 -1.94 0.55 0.00 0.10 0.00 0.00 66.02 64.44 1m94 s SER 23 CO 0.34 -1.59 1.94 0.58 0.98 0.00 0.00 173.24 175.49 1m94 h VAL 24 N -0.83 1.19 -0.40 5.02 2.07 -1.61 -1.02 116.25 120.66 1m94 h VAL 24 Ca -0.46 -0.51 0.02 0.00 0.82 0.00 0.00 66.70 66.58 1m94 h VAL 24 Cb 1.26 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1m94 h VAL 24 CO 0.62 0.22 0.22 1.23 0.02 0.00 0.00 177.57 179.88 1m94 h GLY 25 N 0.90 0.56 1.04 2.17 0.00 -1.80 0.82 103.07 106.76 1m94 h GLY 25 Ca 0.21 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.30 1m94 h GLY 25 CO -0.03 0.14 0.13 -1.80 0.00 0.00 0.00 176.54 174.98 1m94 h ASP 26 N 0.45 1.00 -0.86 0.19 1.82 -1.78 -1.07 116.42 116.16 1m94 h ASP 26 Ca 0.16 -0.25 0.02 0.00 -0.39 0.00 0.00 57.03 56.58 1m94 h ASP 26 Cb 0.03 -0.26 -0.05 0.00 0.68 0.00 0.00 39.33 39.73 1m94 h ASP 26 CO -0.09 0.99 0.57 0.15 -1.61 0.00 0.00 179.24 179.24 1m94 h PHE 27 N 0.96 1.07 -0.12 0.28 3.57 -0.45 -1.65 116.94 120.59 1m94 h PHE 27 Ca 0.20 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.58 1m94 h PHE 27 Cb 0.40 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 1m94 h PHE 27 CO 0.03 0.65 -0.54 0.87 -2.23 0.00 0.00 178.31 177.09 1m94 h LYS 28 N 1.13 0.35 -0.47 1.11 1.57 -0.53 -2.72 116.57 117.02 1m94 h LYS 28 Ca 0.33 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 1m94 h LYS 28 Cb -0.08 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1m94 h LYS 28 CO -0.09 0.80 0.13 0.87 -0.57 0.00 0.00 179.45 180.60 1m94 h LYS 29 N 0.28 0.73 -0.58 3.15 1.57 -0.44 0.14 116.57 121.41 1m94 h LYS 29 Ca 0.01 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.56 1m94 h LYS 29 Cb 1.04 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 1m94 h LYS 29 CO 0.09 0.71 0.13 0.28 -0.57 0.00 0.00 179.45 180.09 1m94 h VAL 30 N 0.62 1.25 -0.57 0.50 2.07 -1.29 -1.90 116.25 116.94 1m94 h VAL 30 Ca 0.15 -0.92 -0.11 0.00 0.82 0.00 0.00 66.70 66.63 1m94 h VAL 30 Cb 0.29 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1m94 h VAL 30 CO -0.00 0.34 -0.08 -0.07 0.02 0.00 0.00 177.57 177.78 1m94 h LEU 31 N 0.85 1.05 -1.51 2.57 3.38 -1.27 -2.76 115.31 117.62 1m94 h LEU 31 Ca 0.18 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.78 1m94 h LEU 31 Cb 0.37 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1m94 h LEU 31 CO 0.00 1.14 -0.04 0.28 0.09 0.00 0.00 178.44 179.91 1m94 h SER 32 N 0.94 0.25 1.16 -0.43 0.02 -0.46 -1.66 113.55 113.36 1m94 h SER 32 Ca 0.15 -0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 61.00 1m94 h SER 32 Cb 0.65 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 1m94 h SER 32 CO 0.04 0.33 -0.30 -0.07 -1.14 0.00 0.00 176.83 175.69 1m94 h LEU 33 N 0.26 0.00 0.07 5.07 3.38 -1.07 0.30 115.31 123.33 1m94 h LEU 33 Ca 0.06 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 1m94 h LEU 33 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1m94 h LEU 33 CO 0.01 0.30 -0.74 1.56 0.09 0.00 0.00 178.44 179.66 1m94 h GLN 34 N 0.00 0.16 0.00 1.13 4.20 -1.11 -3.41 115.11 116.08 1m94 h GLN 34 Ca -0.00 -0.27 -0.38 0.00 0.06 0.00 0.00 58.65 58.06 1m94 h GLN 34 Cb 0.96 0.10 -0.07 0.00 0.30 0.00 0.00 27.48 28.77 1m94 h GLN 34 CO 0.04 1.13 -2.45 0.44 -0.67 0.00 0.00 178.83 177.32 1m94 n ILE 35 N -4.27 1.46 -0.09 2.54 -5.35 -0.81 -5.05 119.36 107.78 1m94 n ILE 35 Ca -0.17 -0.61 0.00 0.00 -0.27 0.00 0.00 62.75 61.70 1m94 n ILE 35 Cb 0.71 -1.25 0.00 0.00 -1.74 0.00 0.00 39.64 37.37 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 2.19 0.70 0.02 3.28 0.00 0.11 -5.04 105.19 106.43 1m94 n GLY 36 Ca -0.43 -0.40 0.01 0.00 0.00 0.00 0.00 46.02 45.20 1m94 n GLY 36 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1m94 n THR 37 N -0.06 0.20 -0.67 2.61 -2.24 -1.23 -5.06 114.28 107.83 1m94 n THR 37 Ca 0.00 -0.24 0.03 0.00 -2.27 0.00 0.00 64.05 61.57 1m94 n THR 37 Cb 0.03 -0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.13 1m94 n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1m94 n GLN 38 N -1.97 -1.69 -1.97 -0.78 1.13 -1.26 -3.94 117.38 106.90 1m94 n GLN 38 Ca -0.06 1.33 -0.37 0.00 -1.94 0.00 0.00 57.00 55.96 1m94 n GLN 38 Cb 0.42 -1.74 -0.04 0.00 0.11 0.00 0.00 30.24 28.99 1m94 n GLN 38 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1m94 n PRO 39 N -2.36 2.19 0.00 -1.09 -0.04 -1.26 -3.25 135.00 129.19 1m94 n PRO 39 Ca -0.02 -2.58 0.00 0.00 -0.04 0.00 0.00 63.50 60.86 1m94 n PRO 39 Cb 0.24 -3.44 0.00 0.00 -0.04 0.00 0.00 33.50 30.27 1m94 n PRO 39 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1m94 n ASN 40 N 10.17 0.00 -0.29 3.54 5.15 -1.26 -4.94 115.26 127.63 1m94 n ASN 40 Ca 0.48 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.58 1m94 n ASN 40 Cb 0.44 0.03 0.19 0.00 -0.53 0.00 0.00 39.78 39.91 1m94 n ASN 40 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1m94 n LYS 41 N -1.04 0.81 -3.74 1.20 4.76 -1.20 -4.68 118.16 114.27 1m94 n LYS 41 Ca 0.00 -0.58 -0.37 0.00 -2.87 0.00 0.00 58.31 54.50 1m94 n LYS 41 Cb 0.00 -1.49 -0.12 0.00 -1.84 0.00 0.00 35.03 31.58 1m94 n LYS 41 CO 0.00 0.00 0.00 0.96 -1.37 0.00 0.00 177.40 176.99 1m94 s ILE 42 N -2.59 4.39 -0.28 -0.18 -4.36 -1.25 -2.65 121.20 114.29 1m94 s ILE 42 Ca 0.20 -0.16 -0.06 0.00 -0.26 0.00 0.00 60.65 60.37 1m94 s ILE 42 Cb 0.18 -3.07 0.01 0.00 1.25 0.00 0.00 42.46 40.83 1m94 s ILE 42 CO 0.59 0.32 0.05 -0.69 0.24 0.00 0.00 174.94 175.45 1m94 s VAL 43 N 1.63 3.82 -0.14 8.37 1.01 -0.12 -4.93 120.40 130.04 1m94 s VAL 43 Ca 0.06 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 1m94 s VAL 43 Cb -0.15 -2.93 -0.05 0.00 0.00 0.00 0.00 36.38 33.25 1m94 s VAL 43 CO 0.04 0.15 0.23 -0.76 0.00 0.00 0.00 175.10 174.76 1m94 s LEU 44 N 1.49 4.31 -0.05 3.92 1.43 -1.26 -0.51 118.68 128.01 1m94 s LEU 44 Ca 0.03 0.50 0.02 0.00 -1.03 0.00 0.00 54.13 53.64 1m94 s LEU 44 Cb -0.17 -2.26 0.02 0.00 0.03 0.00 0.00 46.19 43.81 1m94 s LEU 44 CO 0.01 0.23 -0.08 -1.10 0.23 0.00 0.00 176.35 175.65 1m94 s GLN 45 N -0.17 1.12 -0.03 1.70 -0.21 -0.21 -0.79 119.66 121.07 1m94 s GLN 45 Ca 0.15 -0.24 -0.01 0.00 0.02 0.00 0.00 55.36 55.28 1m94 s GLN 45 Cb -0.13 -1.02 -0.00 0.00 1.00 0.00 0.00 33.01 32.86 1m94 s GLN 45 CO 0.04 -0.01 -0.01 0.87 -2.12 0.00 0.00 175.29 174.06 1m94 h LYS 46 N 6.94 0.00 -1.68 2.91 1.79 -1.75 -1.76 116.57 123.02 1m94 h LYS 46 Ca -0.35 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.63 1m94 h LYS 46 Cb 1.17 0.00 -0.34 0.00 -1.58 0.00 0.00 32.23 31.48 1m94 h LYS 46 CO 0.48 0.00 -0.97 0.41 -1.08 0.00 0.00 179.45 178.29 1m94 n GLY 47 N 1.88 2.19 2.00 3.86 0.00 -1.26 -4.75 105.19 109.11 1m94 n GLY 47 Ca -0.01 -1.19 -0.00 0.00 0.00 0.00 0.00 46.02 44.83 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 1.68 0.37 3.32 -0.02 0.00 -1.26 -5.04 105.19 104.23 1m94 n GLY 48 Ca 0.20 -0.93 -0.11 0.00 0.00 0.00 0.00 46.02 45.18 1m94 n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1m94 s SER 49 N -3.00 -0.52 0.48 1.61 0.01 -1.26 -5.16 113.70 105.86 1m94 s SER 49 Ca 0.00 0.93 -0.19 0.00 1.31 0.00 0.00 55.95 58.00 1m94 s SER 49 Cb 0.00 0.86 -0.09 0.00 0.21 0.00 0.00 66.02 67.00 1m94 s SER 49 CO 0.00 -0.18 0.98 0.68 0.41 0.00 0.00 173.24 175.12 1m94 s VAL 50 N 0.96 4.40 -0.17 3.43 -7.23 -1.26 -2.10 120.40 118.42 1m94 s VAL 50 Ca -0.06 1.32 -0.08 0.00 -1.81 0.00 0.00 61.98 61.35 1m94 s VAL 50 Cb -0.06 -3.64 -0.05 0.00 0.56 0.00 0.00 36.38 33.20 1m94 s VAL 50 CO -0.08 -0.49 0.12 -0.76 -0.31 0.00 0.00 175.10 173.58 1m94 s LEU 51 N -3.65 4.18 0.15 1.32 1.43 0.03 -4.91 118.68 117.25 1m94 s LEU 51 Ca 0.61 0.28 0.08 0.00 -1.03 0.00 0.00 54.13 54.07 1m94 s LEU 51 Cb -0.10 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 1m94 s LEU 51 CO 0.22 0.26 -0.07 -0.54 0.23 0.00 0.00 176.35 176.45 1m94 s LYS 52 N -0.10 2.16 0.54 1.70 1.02 -1.26 -4.75 119.74 119.05 1m94 s LYS 52 Ca 0.10 -1.15 0.20 0.00 0.02 0.00 0.00 55.97 55.14 1m94 s LYS 52 Cb -0.11 -2.26 1.41 0.00 -0.52 0.00 0.00 37.83 36.35 1m94 s LYS 52 CO 0.00 0.46 2.17 0.22 -0.92 0.00 0.00 175.35 177.28 1m94 h ASP 53 N 3.09 0.00 0.17 2.83 3.58 -1.95 -0.92 116.42 123.22 1m94 h ASP 53 Ca -0.48 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.97 1m94 h ASP 53 Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 1m94 h ASP 53 CO 0.54 0.01 0.00 1.41 -2.88 0.00 0.00 179.24 178.33 1m94 n HIS 54 N -4.31 0.54 -4.83 0.28 8.25 -1.26 -4.25 115.22 109.64 1m94 n HIS 54 Ca -0.03 0.26 -0.31 0.00 -0.26 0.00 0.00 57.72 57.39 1m94 n HIS 54 Cb 0.10 -0.92 -0.14 0.00 1.12 0.00 0.00 29.99 30.15 1m94 n HIS 54 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1m94 s ILE 55 N -3.35 2.49 0.45 1.59 1.09 -0.35 -5.05 121.20 118.08 1m94 s ILE 55 Ca -0.00 -1.22 -0.05 0.00 -1.10 0.00 0.00 60.65 58.28 1m94 s ILE 55 Cb 0.06 -2.00 -0.04 0.00 -1.06 0.00 0.00 42.46 39.42 1m94 s ILE 55 CO 0.20 0.39 0.74 -0.55 -0.10 0.00 0.00 174.94 175.62 1m94 s SER 56 N -1.23 6.29 0.45 3.58 0.15 -1.26 -2.21 113.70 119.47 1m94 s SER 56 Ca 0.13 0.87 0.11 0.00 0.70 0.00 0.00 55.95 57.76 1m94 s SER 56 Cb -0.10 -2.22 1.02 0.00 -1.71 0.00 0.00 66.02 63.01 1m94 s SER 56 CO 0.03 -0.52 2.07 -0.07 1.20 0.00 0.00 173.24 175.95 1m94 h LEU 57 N 0.41 0.22 -1.12 3.45 3.38 -1.38 -1.64 115.31 118.64 1m94 h LEU 57 Ca -0.47 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.44 1m94 h LEU 57 Cb 1.21 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 1m94 h LEU 57 CO 0.62 0.21 0.11 -0.08 0.09 0.00 0.00 178.44 179.38 1m94 h GLU 58 N 0.25 0.73 -0.41 1.13 4.81 -1.15 -1.17 114.58 118.78 1m94 h GLU 58 Ca 0.06 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 59.07 1m94 h GLU 58 Cb 0.06 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1m94 h GLU 58 CO -0.01 0.67 -0.06 -0.44 -0.73 0.00 0.00 179.01 178.45 1m94 h ASP 59 N 0.71 0.75 0.95 1.04 3.32 -1.60 -2.44 116.42 119.15 1m94 h ASP 59 Ca 0.16 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1m94 h ASP 59 Cb 0.28 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1m94 h ASP 59 CO -0.00 0.91 0.00 1.88 -1.72 0.00 0.00 179.24 180.31 1m94 h TYR 60 N 0.57 0.00 -3.32 4.55 0.05 -1.29 -3.47 116.97 114.06 1m94 h TYR 60 Ca 0.11 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.86 1m94 h TYR 60 Cb 0.56 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.32 1m94 h TYR 60 CO 0.04 0.00 -0.08 -1.91 -1.05 0.00 0.00 178.16 175.16 1m94 n GLU 61 N -2.53 -0.27 -3.29 4.88 4.07 -0.48 -5.02 120.64 118.00 1m94 n GLU 61 Ca 0.02 0.26 -0.41 0.00 -0.06 0.00 0.00 57.16 56.97 1m94 n GLU 61 Cb 0.29 -2.08 -0.08 0.00 -0.06 0.00 0.00 31.44 29.51 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 -3.04 5.07 0.45 6.31 1.01 -0.97 -5.04 120.40 124.19 1m94 s VAL 62 Ca 0.04 0.24 0.08 0.00 0.00 0.00 0.00 61.98 62.35 1m94 s VAL 62 Cb -0.01 -3.92 0.03 0.00 0.00 0.00 0.00 36.38 32.48 1m94 s VAL 62 CO 0.10 -0.18 0.62 -1.00 0.00 0.00 0.00 175.10 174.64 1m94 s HIS 63 N 2.27 2.55 0.28 5.22 3.76 -1.26 -4.88 115.29 123.23 1m94 s HIS 63 Ca 0.16 -0.45 -0.29 0.00 -0.15 0.00 0.00 55.06 54.33 1m94 s HIS 63 Cb -0.16 -2.36 -0.10 0.00 1.11 0.00 0.00 32.58 31.07 1m94 s HIS 63 CO 0.13 -0.57 1.24 0.34 -0.85 0.00 0.00 174.74 175.02 1m94 s ASP 64 N -4.41 6.97 -1.36 1.40 2.15 -1.26 -2.93 116.67 117.22 1m94 s ASP 64 Ca 0.56 2.48 -0.02 0.00 0.43 0.00 0.00 52.55 56.00 1m94 s ASP 64 Cb -0.09 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 1m94 s ASP 64 CO 0.34 -0.40 0.32 0.00 -0.17 0.00 0.00 175.17 175.26 1m94 n GLN 65 N 1.37 -3.09 -2.88 4.34 3.00 0.13 -4.94 117.38 115.31 1m94 n GLN 65 Ca 0.01 0.79 -0.25 0.00 -0.01 0.00 0.00 57.00 57.54 1m94 n GLN 65 Cb 0.43 -5.30 0.00 0.00 0.00 0.00 0.00 30.24 25.38 1m94 n GLN 65 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 1m94 s THR 66 N -2.99 4.60 -0.21 5.09 -1.32 -1.15 -4.92 115.64 114.73 1m94 s THR 66 Ca 0.16 -0.16 -0.09 0.00 -1.21 0.00 0.00 61.69 60.39 1m94 s THR 66 Cb -0.07 -3.73 -0.05 0.00 -1.51 0.00 0.00 72.50 67.15 1m94 s THR 66 CO 0.20 -0.61 0.12 0.20 -2.21 0.00 0.00 174.62 172.32 1m94 s ASN 67 N -4.14 5.96 0.12 8.08 -0.87 -1.26 -2.59 114.94 120.24 1m94 s ASN 67 Ca 0.46 0.12 0.09 0.00 -1.57 0.00 0.00 52.86 51.97 1m94 s ASN 67 Cb -0.10 -2.05 -0.04 0.00 -0.02 0.00 0.00 41.25 39.04 1m94 s ASN 67 CO 0.41 0.13 -0.18 -0.76 -2.57 0.00 0.00 177.10 174.13 1m94 s LEU 68 N 0.68 2.70 -0.13 0.60 2.01 0.56 -4.95 118.68 120.13 1m94 s LEU 68 Ca 0.06 -0.56 -0.09 0.00 0.01 0.00 0.00 54.13 53.56 1m94 s LEU 68 Cb -0.12 -1.54 -0.04 0.00 0.01 0.00 0.00 46.19 44.49 1m94 s LEU 68 CO 0.01 0.18 0.17 -0.70 1.01 0.00 0.00 176.35 177.02 1m94 s GLU 69 N -2.13 3.72 -0.17 1.70 -6.30 -0.66 -1.56 118.70 113.29 1m94 s GLU 69 Ca 0.18 -0.10 0.00 0.00 -2.50 0.00 0.00 54.97 52.55 1m94 s GLU 69 Cb -0.11 -3.27 0.03 0.00 0.00 0.00 0.00 34.13 30.79 1m94 s GLU 69 CO 0.10 0.62 -0.11 -1.17 0.02 0.00 0.00 175.26 174.72 1m94 s LEU 70 N -0.58 1.92 0.27 2.70 2.96 -0.19 -1.04 118.68 124.72 1m94 s LEU 70 Ca 0.14 -0.69 0.09 0.00 -0.22 0.00 0.00 54.13 53.45 1m94 s LEU 70 Cb -0.12 -1.15 -0.04 0.00 0.50 0.00 0.00 46.19 45.38 1m94 s LEU 70 CO 0.03 -0.12 0.04 -0.31 -1.32 0.00 0.00 176.35 174.68 1m94 s TYR 71 N 1.48 2.77 -0.31 5.38 1.51 0.33 -1.40 117.35 127.10 1m94 s TYR 71 Ca 0.02 -0.22 -0.07 0.00 -1.01 0.00 0.00 57.07 55.78 1m94 s TYR 71 Cb -0.15 -1.27 0.01 0.00 -0.11 0.00 0.00 41.96 40.45 1m94 s TYR 71 CO -0.09 0.58 0.10 0.71 -1.11 0.00 0.00 175.55 175.74 1m94 s TYR 72 N -2.30 3.18 0.00 2.71 1.51 -1.26 -0.95 117.35 120.24 1m94 s TYR 72 Ca 0.32 -1.02 0.00 0.00 -1.01 0.00 0.00 57.07 55.37 1m94 s TYR 72 Cb -0.06 -2.29 0.00 0.00 -0.11 0.00 0.00 41.96 39.50 1m94 s TYR 72 CO 0.21 -0.60 0.45 -0.11 -1.11 0.00 0.00 175.55 174.40