#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 1.52 -0.30 1.12 -4.36 -0.58 -4.94 121.20 113.66 1m94 s ILE 2 Ca 0.00 -2.13 -0.03 0.00 -0.26 0.00 0.00 60.65 58.22 1m94 s ILE 2 Cb 0.00 -2.20 0.04 0.00 1.25 0.00 0.00 42.46 41.55 1m94 s ILE 2 CO 0.00 -0.47 0.02 -0.70 0.24 0.00 0.00 174.94 174.03 1m94 s GLU 3 N -3.72 2.60 0.24 0.37 -6.30 -1.26 -1.51 118.70 109.12 1m94 s GLU 3 Ca 0.25 -1.16 0.08 0.00 -2.50 0.00 0.00 54.97 51.64 1m94 s GLU 3 Cb 0.02 -3.23 -0.04 0.00 0.00 0.00 0.00 34.13 30.88 1m94 s GLU 3 CO 0.08 -0.58 0.13 0.14 0.02 0.00 0.00 175.26 175.05 1m94 s VAL 4 N 1.32 4.17 -0.11 3.70 -7.23 -0.91 0.35 120.40 121.69 1m94 s VAL 4 Ca -0.03 -1.50 0.01 0.00 -1.81 0.00 0.00 61.98 58.64 1m94 s VAL 4 Cb -0.19 -3.23 -0.02 0.00 0.56 0.00 0.00 36.38 33.51 1m94 s VAL 4 CO -0.00 -0.32 -0.13 -0.69 -0.31 0.00 0.00 175.10 173.64 1m94 s VAL 5 N -2.13 3.09 -0.06 1.32 1.01 -0.59 -2.13 120.40 120.90 1m94 s VAL 5 Ca 0.32 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.66 1m94 s VAL 5 Cb -0.08 -2.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.00 1m94 s VAL 5 CO 0.23 0.54 -0.14 0.68 0.00 0.00 0.00 175.10 176.41 1m94 s VAL 6 N 0.09 3.05 -0.12 2.92 -7.23 -0.27 -0.43 120.40 118.41 1m94 s VAL 6 Ca -0.05 -0.71 0.01 0.00 -1.81 0.00 0.00 61.98 59.41 1m94 s VAL 6 Cb -0.15 -2.21 0.02 0.00 0.56 0.00 0.00 36.38 34.60 1m94 s VAL 6 CO 0.04 0.58 -0.14 0.54 -0.31 0.00 0.00 175.10 175.82 1m94 s ASN 7 N -0.54 2.45 0.24 4.85 2.20 -0.81 -1.53 114.94 121.80 1m94 s ASN 7 Ca 0.07 -0.42 -0.15 0.00 -0.94 0.00 0.00 52.86 51.43 1m94 s ASN 7 Cb -0.12 -1.07 -0.08 0.00 -2.00 0.00 0.00 41.25 37.98 1m94 s ASN 7 CO 0.01 -0.03 0.65 -0.62 -2.94 0.00 0.00 177.10 174.18 1m94 s ASP 8 N 1.23 6.81 0.24 3.54 2.15 -0.21 -0.74 116.67 129.69 1m94 s ASP 8 Ca -0.02 1.18 -0.04 0.00 0.43 0.00 0.00 52.55 54.11 1m94 s ASP 8 Cb -0.14 -2.33 0.25 0.00 -0.30 0.00 0.00 42.92 40.40 1m94 s ASP 8 CO -0.05 -0.06 1.71 0.03 -0.17 0.00 0.00 175.17 176.62 1m94 h ARG 9 N 2.82 0.84 -0.15 4.34 2.47 -1.90 -3.04 114.38 119.76 1m94 h ARG 9 Ca -0.48 -0.26 -0.00 0.00 -1.26 0.00 0.00 59.98 57.98 1m94 h ARG 9 Cb 1.18 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 29.41 1m94 h ARG 9 CO 0.66 0.87 0.09 -0.07 0.56 0.00 0.00 179.97 182.08 1m94 h LEU 10 N 0.77 0.19 0.00 3.04 3.38 -1.94 -3.46 115.31 117.29 1m94 h LEU 10 Ca 0.14 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1m94 h LEU 10 Cb 0.54 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1m94 h LEU 10 CO 0.03 0.21 0.00 0.61 0.09 0.00 0.00 178.44 179.38 1m94 n GLY 11 N -0.95 -0.74 2.59 0.83 0.00 -1.15 -5.14 105.19 100.63 1m94 n GLY 11 Ca -0.04 0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 1m94 n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1m94 s LYS 12 N 0.00 0.21 -0.28 1.61 1.02 -1.25 -4.96 119.74 116.10 1m94 s LYS 12 Ca 0.00 -0.42 -0.09 0.00 0.02 0.00 0.00 55.97 55.48 1m94 s LYS 12 Cb 0.00 -1.09 -0.03 0.00 -0.52 0.00 0.00 37.83 36.20 1m94 s LYS 12 CO 0.00 -1.00 0.12 0.15 -0.92 0.00 0.00 175.35 173.70 1m94 s LYS 13 N 2.16 3.62 0.27 1.68 3.01 -1.26 -1.04 119.74 128.17 1m94 s LYS 13 Ca 0.09 -0.52 0.02 0.00 -1.01 0.00 0.00 55.97 54.55 1m94 s LYS 13 Cb -0.16 -3.47 -0.04 0.00 -1.01 0.00 0.00 37.83 33.15 1m94 s LYS 13 CO -0.35 -0.26 0.15 0.14 0.51 0.00 0.00 175.35 175.55 1m94 s VAL 14 N 1.65 0.25 -0.04 3.17 -7.23 -0.58 -5.00 120.40 112.61 1m94 s VAL 14 Ca 0.06 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.27 1m94 s VAL 14 Cb -0.16 -2.53 -0.00 0.00 0.56 0.00 0.00 36.38 34.25 1m94 s VAL 14 CO 0.06 0.00 -0.16 -0.13 -0.31 0.00 0.00 175.10 174.56 1m94 s ARG 15 N -3.90 1.63 -0.02 4.82 0.52 -1.26 -1.12 118.95 119.62 1m94 s ARG 15 Ca 0.37 -0.55 0.01 0.00 -0.52 0.00 0.00 55.73 55.04 1m94 s ARG 15 Cb 0.06 -1.43 0.01 0.00 0.52 0.00 0.00 34.95 34.11 1m94 s ARG 15 CO 0.16 0.21 -0.02 0.54 0.02 0.00 0.00 175.30 176.22 1m94 s VAL 16 N 0.08 0.22 -0.14 3.52 0.11 -0.90 -5.01 120.40 118.28 1m94 s VAL 16 Ca -0.04 -0.02 -0.06 0.00 -2.93 0.00 0.00 61.98 58.93 1m94 s VAL 16 Cb -0.11 -0.26 -0.04 0.00 -1.53 0.00 0.00 36.38 34.44 1m94 s VAL 16 CO 0.02 0.12 0.07 -1.59 -3.33 0.00 0.00 175.10 170.38 1m94 s LYS 17 N 0.53 3.60 0.09 1.54 -2.85 -1.26 -2.13 119.74 119.26 1m94 s LYS 17 Ca -0.05 -0.30 -0.14 0.00 -1.00 0.00 0.00 55.97 54.47 1m94 s LYS 17 Cb -0.08 -3.11 0.02 0.00 -2.06 0.00 0.00 37.83 32.60 1m94 s LYS 17 CO -0.01 0.51 0.34 0.00 0.10 0.00 0.00 175.35 176.29 1m94 s LEU 19 N -2.56 4.01 0.57 0.00 1.02 -1.26 -1.53 118.68 118.93 1m94 s LEU 19 Ca 0.01 1.74 0.33 0.00 0.02 0.00 0.00 54.13 56.23 1m94 s LEU 19 Cb 0.02 -4.44 1.68 0.00 0.02 0.00 0.00 46.19 43.47 1m94 s LEU 19 CO -0.09 -0.33 2.13 0.00 0.02 0.00 0.00 176.35 178.08 1m94 h ALA 20 N 2.13 1.16 0.00 4.21 0.00 -1.94 -1.46 119.26 123.36 1m94 h ALA 20 Ca -0.49 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 1m94 h ALA 20 Cb 1.19 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1m94 h ALA 20 CO 0.62 0.08 -0.22 1.05 0.00 0.00 0.00 179.25 180.78 1m94 h GLU 21 N 0.00 0.00 -7.07 0.00 -0.00 -1.94 0.15 114.58 105.73 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 0.29 0.00 0.11 0.00 -0.00 0.00 0.00 28.75 29.15 1m94 h GLU 21 CO 0.01 0.12 0.51 -0.51 -0.00 0.00 0.00 179.01 179.14 1m94 s ASP 22 N -6.20 5.37 0.66 3.06 1.01 -0.55 -4.66 116.67 115.35 1m94 s ASP 22 Ca 0.06 2.47 -0.10 0.00 0.71 0.00 0.00 52.55 55.69 1m94 s ASP 22 Cb 0.06 -2.61 -0.00 0.00 1.01 0.00 0.00 42.92 41.38 1m94 s ASP 22 CO 0.70 -1.48 1.04 -0.94 0.21 0.00 0.00 175.17 174.70 1m94 s SER 23 N -1.39 5.71 0.41 0.27 1.04 -1.26 -1.68 113.70 116.81 1m94 s SER 23 Ca 0.74 1.14 0.08 0.00 0.48 0.00 0.00 55.95 58.38 1m94 s SER 23 Cb -0.33 -2.05 0.86 0.00 0.10 0.00 0.00 66.02 64.60 1m94 s SER 23 CO 0.37 -1.14 2.03 0.58 0.98 0.00 0.00 173.24 176.06 1m94 h VAL 24 N -0.45 1.11 -0.34 5.02 2.07 -1.64 -1.43 116.25 120.59 1m94 h VAL 24 Ca -0.45 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 66.76 1m94 h VAL 24 Cb 1.23 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 1m94 h VAL 24 CO 0.63 0.13 0.21 1.23 0.02 0.00 0.00 177.57 179.79 1m94 h GLY 25 N 0.55 0.47 1.28 2.17 0.00 -1.80 0.26 103.07 106.02 1m94 h GLY 25 Ca 0.12 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.22 1m94 h GLY 25 CO -0.02 0.15 0.05 -1.80 0.00 0.00 0.00 176.54 174.92 1m94 h ASP 26 N 0.42 0.84 -0.76 0.19 1.82 -1.73 -1.83 116.42 115.38 1m94 h ASP 26 Ca 0.13 -0.19 0.00 0.00 -0.39 0.00 0.00 57.03 56.58 1m94 h ASP 26 Cb -0.01 -0.22 -0.04 0.00 0.68 0.00 0.00 39.33 39.74 1m94 h ASP 26 CO -0.05 0.88 0.48 0.15 -1.61 0.00 0.00 179.24 179.08 1m94 h PHE 27 N 0.83 0.98 0.00 0.28 3.04 -0.46 -1.57 116.94 120.05 1m94 h PHE 27 Ca 0.17 0.01 -0.09 0.00 3.98 0.00 0.00 57.97 62.04 1m94 h PHE 27 Cb 0.42 -0.33 -0.01 0.00 2.56 0.00 0.00 35.95 38.59 1m94 h PHE 27 CO 0.02 0.64 -0.43 0.87 -2.02 0.00 0.00 178.31 177.39 1m94 h LYS 28 N 1.03 0.00 -0.32 1.11 1.57 -0.58 -1.31 116.57 118.08 1m94 h LYS 28 Ca 0.28 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.94 1m94 h LYS 28 Cb -0.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1m94 h LYS 28 CO -0.06 0.43 -0.23 0.87 -0.57 0.00 0.00 179.45 179.89 1m94 h LYS 29 N 0.00 0.72 -0.08 3.15 1.57 -0.48 0.16 116.57 121.61 1m94 h LYS 29 Ca -0.00 -0.35 -0.16 0.00 -1.87 0.00 0.00 60.65 58.26 1m94 h LYS 29 Cb 0.79 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 1m94 h LYS 29 CO 0.06 0.96 -0.67 0.28 -0.57 0.00 0.00 179.45 179.51 1m94 h VAL 30 N 0.48 1.39 -0.12 0.50 2.07 -1.20 -3.23 116.25 116.15 1m94 h VAL 30 Ca 0.06 -2.08 -0.12 0.00 0.82 0.00 0.00 66.70 65.38 1m94 h VAL 30 Cb 0.79 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1m94 h VAL 30 CO 0.06 0.62 -0.41 0.25 0.02 0.00 0.00 177.57 178.11 1m94 h LEU 31 N 0.22 0.57 -2.22 2.57 5.85 -1.14 -3.10 115.31 118.06 1m94 h LEU 31 Ca -0.02 -0.61 0.00 0.00 0.84 0.00 0.00 57.88 58.09 1m94 h LEU 31 Cb 1.21 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1m94 h LEU 31 CO 0.11 1.08 0.23 0.77 -0.34 0.00 0.00 178.44 180.29 1m94 h SER 32 N 0.08 0.00 -0.22 1.25 4.64 -0.70 -1.49 113.55 117.12 1m94 h SER 32 Ca -0.02 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.15 1m94 h SER 32 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1m94 h SER 32 CO 0.09 0.00 -0.48 -0.07 -0.87 0.00 0.00 176.83 175.50 1m94 h LEU 33 N 0.00 0.80 0.13 5.97 3.38 -1.57 0.25 115.31 124.27 1m94 h LEU 33 Ca 0.00 -0.56 -0.30 0.00 0.09 0.00 0.00 57.88 57.12 1m94 h LEU 33 Cb 0.47 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1m94 h LEU 33 CO 0.00 1.21 -1.42 0.06 0.09 0.00 0.00 178.44 178.38 1m94 h GLN 34 N 0.43 0.27 0.00 1.13 3.07 -1.43 -3.34 115.11 115.24 1m94 h GLN 34 Ca 0.00 -0.47 -0.08 0.00 0.09 0.00 0.00 58.65 58.19 1m94 h GLN 34 Cb 1.09 0.17 -0.01 0.00 0.08 0.00 0.00 27.48 28.81 1m94 h GLN 34 CO 0.11 1.17 -1.11 -0.84 0.09 0.00 0.00 178.83 178.25 1m94 h ILE 35 N 0.07 0.28 -4.49 1.86 3.07 -1.54 -3.48 117.51 113.28 1m94 h ILE 35 Ca -0.20 -1.53 -0.26 0.00 1.55 0.00 0.00 64.86 64.42 1m94 h ILE 35 Cb 2.01 1.82 0.11 0.00 -0.27 0.00 0.00 36.82 40.49 1m94 h ILE 35 CO 0.18 0.16 -0.51 0.61 -1.05 0.00 0.00 178.15 177.55 1m94 n GLY 36 N 1.28 -0.11 0.09 0.16 0.00 0.88 -4.93 105.19 102.55 1m94 n GLY 36 Ca -0.04 -0.04 0.01 0.00 0.00 0.00 0.00 46.02 45.95 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 -3.77 0.12 -1.09 2.61 -1.04 -1.21 -5.06 114.28 104.84 1m94 n THR 37 Ca -0.09 -0.56 0.04 0.00 -2.04 0.00 0.00 64.05 61.40 1m94 n THR 37 Cb 0.58 0.98 -0.02 0.00 -1.82 0.00 0.00 70.33 70.04 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 0.07 -2.75 0.00 -2.82 3.00 -1.26 -3.58 117.38 110.04 1m94 n GLN 38 Ca 0.01 2.18 0.11 0.00 -0.01 0.00 0.00 57.00 59.29 1m94 n GLN 38 Cb 0.08 -2.84 0.54 0.00 0.00 0.00 0.00 30.24 28.02 1m94 n GLN 38 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1m94 n PRO 39 N -2.79 0.23 0.04 -1.09 -0.04 -1.26 -2.95 135.00 127.14 1m94 n PRO 39 Ca -0.02 0.09 0.11 0.00 -0.04 0.00 0.00 63.50 63.63 1m94 n PRO 39 Cb 0.40 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.34 0.39 -0.89 3.54 3.02 -1.26 -4.21 115.26 114.50 1m94 n ASN 40 Ca 0.09 0.14 0.07 0.00 -0.03 0.00 0.00 54.58 54.86 1m94 n ASN 40 Cb 0.20 1.29 0.22 0.00 -0.61 0.00 0.00 39.78 40.89 1m94 n ASN 40 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1m94 n LYS 41 N -2.44 3.03 -4.27 3.52 5.02 -1.15 -4.86 118.16 117.01 1m94 n LYS 41 Ca -0.02 -2.45 -0.34 0.00 -2.02 0.00 0.00 58.31 53.47 1m94 n LYS 41 Cb 0.56 -1.56 -0.11 0.00 -0.02 0.00 0.00 35.03 33.90 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 -1.72 4.24 -0.27 -0.18 1.01 -1.21 -1.92 121.20 121.16 1m94 s ILE 42 Ca 0.34 -0.24 0.01 0.00 0.00 0.00 0.00 60.65 60.77 1m94 s ILE 42 Cb 0.23 -2.87 0.07 0.00 0.01 0.00 0.00 42.46 39.90 1m94 s ILE 42 CO 0.15 0.49 -0.00 -0.69 0.00 0.00 0.00 174.94 174.89 1m94 s VAL 43 N 0.23 1.51 0.10 2.92 1.01 0.58 -4.92 120.40 121.84 1m94 s VAL 43 Ca -0.00 -1.43 -0.01 0.00 0.00 0.00 0.00 61.98 60.54 1m94 s VAL 43 Cb -0.13 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.30 1m94 s VAL 43 CO 0.02 -0.30 0.27 -0.76 0.00 0.00 0.00 175.10 174.34 1m94 s LEU 44 N 1.36 4.32 -0.03 3.92 1.43 -1.26 -0.46 118.68 127.97 1m94 s LEU 44 Ca 0.00 0.35 0.01 0.00 -1.03 0.00 0.00 54.13 53.46 1m94 s LEU 44 Cb -0.19 -3.06 0.02 0.00 0.03 0.00 0.00 46.19 42.99 1m94 s LEU 44 CO -0.10 0.11 -0.03 -1.10 0.23 0.00 0.00 176.35 175.46 1m94 s GLN 45 N -2.69 0.58 -0.89 1.70 -0.21 -0.72 -0.61 119.66 116.82 1m94 s GLN 45 Ca 0.37 -0.07 -0.16 0.00 0.02 0.00 0.00 55.36 55.52 1m94 s GLN 45 Cb -0.12 -0.64 0.18 0.00 1.00 0.00 0.00 33.01 33.43 1m94 s GLN 45 CO 0.27 -0.06 0.95 0.21 -2.12 0.00 0.00 175.29 174.55 1m94 s LYS 46 N 0.73 3.65 1.50 2.91 2.20 0.02 -1.41 119.74 129.34 1m94 s LYS 46 Ca -0.09 -2.21 0.00 0.00 -0.36 0.00 0.00 55.97 53.31 1m94 s LYS 46 Cb -0.12 -4.66 0.00 0.00 -1.51 0.00 0.00 37.83 31.55 1m94 s LYS 46 CO -0.00 -1.50 0.00 0.41 -0.36 0.00 0.00 175.35 173.89 1m94 n GLY 47 N 4.54 1.63 2.58 5.54 0.00 -1.26 -3.20 105.19 115.02 1m94 n GLY 47 Ca 0.19 0.22 -0.14 0.00 0.00 0.00 0.00 46.02 46.29 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 3.27 3.31 -0.02 0.00 -1.26 -5.00 105.19 105.49 1m94 n GLY 48 Ca 0.00 -1.80 -0.12 0.00 0.00 0.00 0.00 46.02 44.10 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 -3.39 -0.47 -0.04 1.61 0.15 -1.19 -5.14 113.70 105.23 1m94 s SER 49 Ca 0.35 0.88 -0.27 0.00 0.70 0.00 0.00 55.95 57.60 1m94 s SER 49 Cb 0.42 0.85 -0.03 0.00 -1.71 0.00 0.00 66.02 65.55 1m94 s SER 49 CO -0.04 -0.16 0.88 -0.69 1.20 0.00 0.00 173.24 174.43 1m94 s VAL 50 N 0.55 4.93 -0.03 4.45 1.01 -1.26 -0.80 120.40 129.25 1m94 s VAL 50 Ca -0.03 1.83 -0.22 0.00 0.00 0.00 0.00 61.98 63.56 1m94 s VAL 50 Cb -0.04 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 1m94 s VAL 50 CO -0.03 0.18 0.65 -0.76 0.00 0.00 0.00 175.10 175.13 1m94 s LEU 51 N 1.05 4.37 0.04 3.92 1.43 0.22 -4.91 118.68 124.81 1m94 s LEU 51 Ca 0.46 1.18 0.09 0.00 -1.03 0.00 0.00 54.13 54.83 1m94 s LEU 51 Cb -0.19 -3.00 -0.03 0.00 0.03 0.00 0.00 46.19 43.00 1m94 s LEU 51 CO 0.23 0.00 -0.25 -0.75 0.23 0.00 0.00 176.35 175.81 1m94 s LYS 52 N 0.27 1.73 0.57 1.70 2.20 -1.26 -4.52 119.74 120.43 1m94 s LYS 52 Ca 0.34 -1.08 0.26 0.00 -0.36 0.00 0.00 55.97 55.13 1m94 s LYS 52 Cb -0.18 -1.90 1.66 0.00 -1.51 0.00 0.00 37.83 35.90 1m94 s LYS 52 CO 0.18 0.49 2.21 0.38 -0.36 0.00 0.00 175.35 178.25 1m94 h ASP 53 N 4.81 0.00 0.72 1.43 2.03 -1.96 -0.70 116.42 122.75 1m94 h ASP 53 Ca -0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 1m94 h ASP 53 Cb 1.14 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.64 1m94 h ASP 53 CO 0.44 0.00 0.00 0.45 -1.03 0.00 0.00 179.24 179.10 1m94 h HIS 54 N 0.00 0.00 -3.45 4.15 3.86 -1.97 -3.36 115.15 114.38 1m94 h HIS 54 Ca 0.01 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.56 1m94 h HIS 54 Cb 0.06 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 28.39 1m94 h HIS 54 CO 0.00 0.00 -0.69 0.42 0.86 0.00 0.00 177.93 178.52 1m94 s ILE 55 N -3.61 3.75 0.40 2.45 1.09 -0.27 -5.04 121.20 119.97 1m94 s ILE 55 Ca 0.01 -1.07 -0.09 0.00 -1.10 0.00 0.00 60.65 58.40 1m94 s ILE 55 Cb 0.09 -2.76 -0.06 0.00 -1.06 0.00 0.00 42.46 38.67 1m94 s ILE 55 CO 0.45 0.14 0.74 -0.55 -0.10 0.00 0.00 174.94 175.63 1m94 s SER 56 N -2.19 6.48 0.41 3.58 0.15 -1.26 -2.33 113.70 118.54 1m94 s SER 56 Ca 0.23 1.05 0.08 0.00 0.70 0.00 0.00 55.95 58.01 1m94 s SER 56 Cb -0.11 -2.29 0.88 0.00 -1.71 0.00 0.00 66.02 62.78 1m94 s SER 56 CO 0.16 -0.39 2.05 -0.07 1.20 0.00 0.00 173.24 176.18 1m94 h LEU 57 N 1.19 0.46 -1.19 3.45 3.38 -1.43 -1.64 115.31 119.52 1m94 h LEU 57 Ca -0.47 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.51 1m94 h LEU 57 Cb 1.19 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 1m94 h LEU 57 CO 0.64 0.33 0.55 -0.08 0.09 0.00 0.00 178.44 179.97 1m94 h GLU 58 N 0.54 1.06 -0.52 1.13 4.22 -0.91 -0.78 114.58 119.31 1m94 h GLU 58 Ca 0.17 -0.06 -0.03 0.00 0.08 0.00 0.00 59.36 59.51 1m94 h GLU 58 Cb 0.01 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.00 1m94 h GLU 58 CO -0.04 0.70 0.19 -0.44 -2.18 0.00 0.00 179.01 177.24 1m94 h ASP 59 N 1.09 0.74 1.09 1.04 3.32 -1.60 -2.07 116.42 120.03 1m94 h ASP 59 Ca 0.31 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1m94 h ASP 59 Cb -0.07 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.29 1m94 h ASP 59 CO -0.08 0.72 0.00 1.88 -1.72 0.00 0.00 179.24 180.05 1m94 h TYR 60 N 0.71 0.00 -4.18 4.55 0.05 -1.33 -3.48 116.97 113.30 1m94 h TYR 60 Ca 0.17 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.91 1m94 h TYR 60 Cb 0.23 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.00 1m94 h TYR 60 CO 0.01 0.00 -0.13 -1.91 -1.05 0.00 0.00 178.16 175.08 1m94 n GLU 61 N -2.64 -0.79 -2.94 4.88 4.07 -0.36 -5.01 120.64 117.86 1m94 n GLU 61 Ca 0.02 0.82 -0.38 0.00 -0.06 0.00 0.00 57.16 57.56 1m94 n GLU 61 Cb 0.32 -3.61 -0.06 0.00 -0.06 0.00 0.00 31.44 28.03 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 -3.06 4.34 0.29 6.31 0.11 -1.18 -5.05 120.40 122.16 1m94 s VAL 62 Ca 0.07 1.67 0.09 0.00 -2.93 0.00 0.00 61.98 60.89 1m94 s VAL 62 Cb -0.01 -4.06 -0.05 0.00 -1.53 0.00 0.00 36.38 30.73 1m94 s VAL 62 CO 0.37 0.36 0.01 -1.00 -3.33 0.00 0.00 175.10 171.50 1m94 s HIS 63 N -1.35 2.64 0.18 1.54 3.76 -1.26 -5.00 115.29 115.81 1m94 s HIS 63 Ca 0.41 -0.29 -0.30 0.00 -0.15 0.00 0.00 55.06 54.73 1m94 s HIS 63 Cb -0.21 -1.30 -0.08 0.00 1.11 0.00 0.00 32.58 32.10 1m94 s HIS 63 CO 0.25 0.56 1.25 0.34 -0.85 0.00 0.00 174.74 176.29 1m94 s ASP 64 N -3.70 6.99 -1.31 1.40 -1.08 -1.26 -2.87 116.67 114.85 1m94 s ASP 64 Ca 0.33 2.30 -0.04 0.00 -0.52 0.00 0.00 52.55 54.62 1m94 s ASP 64 Cb -0.05 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.81 1m94 s ASP 64 CO 0.20 -0.45 0.53 1.67 0.52 0.00 0.00 175.17 177.63 1m94 n GLN 65 N 2.67 -4.21 -2.75 4.34 -0.06 0.16 -4.95 117.38 112.57 1m94 n GLN 65 Ca 0.06 0.77 -0.27 0.00 -2.00 0.00 0.00 57.00 55.55 1m94 n GLN 65 Cb 0.44 -5.33 -0.00 0.00 -4.06 0.00 0.00 30.24 21.28 1m94 n GLN 65 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 1m94 s THR 66 N -3.08 4.94 -0.36 1.69 -1.32 -1.14 -4.82 115.64 111.55 1m94 s THR 66 Ca 0.26 0.11 -0.14 0.00 -1.21 0.00 0.00 61.69 60.72 1m94 s THR 66 Cb -0.12 -3.86 -0.01 0.00 -1.51 0.00 0.00 72.50 67.00 1m94 s THR 66 CO 0.32 -0.80 0.27 0.20 -2.21 0.00 0.00 174.62 172.40 1m94 s ASN 67 N -4.07 6.08 0.20 8.08 -0.87 -1.26 -1.55 114.94 121.55 1m94 s ASN 67 Ca 0.46 -0.50 0.06 0.00 -1.57 0.00 0.00 52.86 51.31 1m94 s ASN 67 Cb -0.10 -2.15 -0.04 0.00 -0.02 0.00 0.00 41.25 38.94 1m94 s ASN 67 CO 0.43 -0.29 0.14 -0.76 -2.57 0.00 0.00 177.10 174.05 1m94 s LEU 68 N 1.75 3.76 -0.06 0.60 1.43 0.43 -4.48 118.68 122.12 1m94 s LEU 68 Ca 0.07 -0.20 -0.08 0.00 -1.03 0.00 0.00 54.13 52.89 1m94 s LEU 68 Cb -0.18 -2.35 -0.04 0.00 0.03 0.00 0.00 46.19 43.65 1m94 s LEU 68 CO 0.11 0.03 0.22 -1.61 0.23 0.00 0.00 176.35 175.33 1m94 s GLU 69 N -3.34 3.55 -0.09 1.70 8.01 -0.50 -1.93 118.70 126.09 1m94 s GLU 69 Ca 0.31 -0.05 0.02 0.00 0.01 0.00 0.00 54.97 55.27 1m94 s GLU 69 Cb -0.09 -3.16 -0.02 0.00 -4.31 0.00 0.00 34.13 26.56 1m94 s GLU 69 CO 0.23 0.72 -0.17 -1.17 0.01 0.00 0.00 175.26 174.89 1m94 s LEU 70 N -1.31 2.55 -0.01 1.80 2.96 0.08 -1.75 118.68 123.00 1m94 s LEU 70 Ca 0.21 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.79 1m94 s LEU 70 Cb -0.13 -1.54 -0.01 0.00 0.50 0.00 0.00 46.19 45.02 1m94 s LEU 70 CO 0.10 0.23 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.98 1m94 s TYR 71 N -0.02 0.61 -0.23 5.38 2.02 0.40 -3.32 117.35 122.19 1m94 s TYR 71 Ca -0.05 -0.12 -0.09 0.00 -0.37 0.00 0.00 57.07 56.45 1m94 s TYR 71 Cb -0.14 -0.39 -0.04 0.00 -0.40 0.00 0.00 41.96 40.98 1m94 s TYR 71 CO 0.04 -0.01 0.12 0.71 -1.57 0.00 0.00 175.55 174.84 1m94 s TYR 72 N -0.16 3.25 0.00 2.71 2.02 -1.26 -0.30 117.35 123.60 1m94 s TYR 72 Ca 0.03 0.06 0.00 0.00 -0.37 0.00 0.00 57.07 56.79 1m94 s TYR 72 Cb -0.03 -2.21 0.00 0.00 -0.40 0.00 0.00 41.96 39.32 1m94 s TYR 72 CO -0.00 0.01 0.00 1.28 -1.57 0.00 0.00 175.55 175.26