#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 3.04 -0.25 3.17 -4.36 -0.44 -4.89 121.20 117.48 1m94 s ILE 2 Ca 0.00 -1.97 -0.06 0.00 -0.26 0.00 0.00 60.65 58.36 1m94 s ILE 2 Cb 0.00 -2.78 -0.01 0.00 1.25 0.00 0.00 42.46 40.92 1m94 s ILE 2 CO 0.00 -0.31 0.03 -0.70 0.24 0.00 0.00 174.94 174.21 1m94 s GLU 3 N -3.69 3.44 0.28 0.37 -6.30 -1.26 -1.45 118.70 110.09 1m94 s GLU 3 Ca 0.33 -0.61 0.11 0.00 -2.50 0.00 0.00 54.97 52.30 1m94 s GLU 3 Cb -0.04 -3.22 -0.05 0.00 0.00 0.00 0.00 34.13 30.82 1m94 s GLU 3 CO 0.19 -0.24 -0.17 0.14 0.02 0.00 0.00 175.26 175.20 1m94 s VAL 4 N 1.54 2.29 -0.13 3.70 -7.23 -0.74 -0.07 120.40 119.77 1m94 s VAL 4 Ca 0.05 -2.34 0.02 0.00 -1.81 0.00 0.00 61.98 57.90 1m94 s VAL 4 Cb -0.15 -2.30 -0.00 0.00 0.56 0.00 0.00 36.38 34.48 1m94 s VAL 4 CO 0.01 -0.41 -0.19 0.68 -0.31 0.00 0.00 175.10 174.89 1m94 s VAL 5 N -2.62 2.47 -0.18 1.32 -7.23 -0.93 -1.79 120.40 111.45 1m94 s VAL 5 Ca 0.29 -0.86 -0.03 0.00 -1.81 0.00 0.00 61.98 59.58 1m94 s VAL 5 Cb -0.03 -2.01 -0.01 0.00 0.56 0.00 0.00 36.38 34.89 1m94 s VAL 5 CO 0.14 0.54 -0.07 -0.69 -0.31 0.00 0.00 175.10 174.70 1m94 s VAL 6 N 0.56 3.35 -0.28 1.32 1.01 0.23 -0.74 120.40 125.85 1m94 s VAL 6 Ca -0.11 -0.52 -0.09 0.00 0.00 0.00 0.00 61.98 61.25 1m94 s VAL 6 Cb -0.16 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 1m94 s VAL 6 CO 0.04 0.47 0.13 0.20 0.00 0.00 0.00 175.10 175.93 1m94 s ASN 7 N 0.93 5.50 -0.07 3.32 0.01 0.02 -0.91 114.94 123.73 1m94 s ASN 7 Ca -0.01 -0.24 -0.14 0.00 -0.71 0.00 0.00 52.86 51.76 1m94 s ASN 7 Cb -0.15 -2.00 -0.10 0.00 0.41 0.00 0.00 41.25 39.41 1m94 s ASN 7 CO 0.00 -0.09 0.53 -0.78 -1.51 0.00 0.00 177.10 175.26 1m94 h ASP 8 N 8.31 -0.19 -3.94 -1.22 3.58 -1.71 -0.07 116.42 121.17 1m94 h ASP 8 Ca -0.36 -0.21 -0.34 0.00 0.42 0.00 0.00 57.03 56.55 1m94 h ASP 8 Cb 1.17 0.05 -0.08 0.00 1.72 0.00 0.00 39.33 42.19 1m94 h ASP 8 CO 0.58 0.36 -0.29 0.54 -2.88 0.00 0.00 179.24 177.55 1m94 n ARG 9 N -4.91 0.62 -1.98 0.28 3.00 -1.26 -4.49 116.66 107.91 1m94 n ARG 9 Ca -0.05 -2.15 -0.43 0.00 -0.01 0.00 0.00 57.85 55.21 1m94 n ARG 9 Cb 0.19 1.29 -0.03 0.00 0.00 0.00 0.00 32.46 33.91 1m94 n ARG 9 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1m94 s LEU 10 N 0.00 3.49 0.00 0.55 2.96 -1.26 -2.32 118.68 122.11 1m94 s LEU 10 Ca 0.15 1.28 0.00 0.00 -0.22 0.00 0.00 54.13 55.35 1m94 s LEU 10 Cb 0.01 -3.46 0.00 0.00 0.50 0.00 0.00 46.19 43.24 1m94 s LEU 10 CO 0.11 -1.76 0.00 0.61 -1.32 0.00 0.00 176.35 173.99 1m94 n GLY 11 N 5.45 2.83 3.70 7.98 0.00 -1.26 -5.06 105.19 118.83 1m94 n GLY 11 Ca 0.23 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 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 4.44 -0.03 1.61 2.20 -0.98 -5.03 119.74 121.95 1m94 s LYS 12 Ca 0.00 1.63 -0.02 0.00 -0.36 0.00 0.00 55.97 57.23 1m94 s LYS 12 Cb 0.00 -3.44 0.02 0.00 -1.51 0.00 0.00 37.83 32.90 1m94 s LYS 12 CO 0.00 -0.26 0.07 0.21 -0.36 0.00 0.00 175.35 175.01 1m94 s LYS 13 N 1.42 0.04 0.06 4.03 2.20 -1.26 -3.19 119.74 123.04 1m94 s LYS 13 Ca 0.56 0.21 0.06 0.00 -0.36 0.00 0.00 55.97 56.43 1m94 s LYS 13 Cb -0.25 -0.13 -0.03 0.00 -1.51 0.00 0.00 37.83 35.91 1m94 s LYS 13 CO 0.26 -0.11 -0.16 0.08 -0.36 0.00 0.00 175.35 175.06 1m94 s VAL 14 N 0.73 1.29 -0.08 4.02 1.01 -0.09 -4.98 120.40 122.30 1m94 s VAL 14 Ca -0.06 -1.25 -0.01 0.00 0.00 0.00 0.00 61.98 60.67 1m94 s VAL 14 Cb -0.08 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 1m94 s VAL 14 CO -0.03 -0.07 -0.04 -0.13 0.00 0.00 0.00 175.10 174.83 1m94 s ARG 15 N -1.52 2.94 -0.13 2.72 3.00 -1.26 -0.60 118.95 124.09 1m94 s ARG 15 Ca 0.02 -0.50 -0.08 0.00 0.00 0.00 0.00 55.73 55.17 1m94 s ARG 15 Cb -0.09 -2.69 0.05 0.00 0.00 0.00 0.00 34.95 32.21 1m94 s ARG 15 CO 0.02 0.62 0.32 0.54 0.00 0.00 0.00 175.30 176.80 1m94 s VAL 16 N -0.69 -0.03 -0.18 3.52 0.11 -0.74 -4.95 120.40 117.45 1m94 s VAL 16 Ca 0.11 0.10 -0.07 0.00 -2.93 0.00 0.00 61.98 59.18 1m94 s VAL 16 Cb -0.11 -0.47 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 1m94 s VAL 16 CO 0.02 0.04 0.06 -1.59 -3.33 0.00 0.00 175.10 170.30 1m94 s LYS 17 N 1.07 3.95 0.01 1.54 0.00 -1.26 -1.80 119.74 123.25 1m94 s LYS 17 Ca -0.07 -0.35 -0.15 0.00 0.00 0.00 0.00 55.97 55.39 1m94 s LYS 17 Cb -0.08 -3.19 0.02 0.00 0.00 0.00 0.00 37.83 34.58 1m94 s LYS 17 CO -0.08 0.29 0.33 0.00 0.00 0.00 0.00 175.35 175.88 1m94 s LEU 19 N -1.63 4.08 0.58 0.00 1.43 -1.26 -1.33 118.68 120.55 1m94 s LEU 19 Ca -0.10 1.77 0.34 0.00 -1.03 0.00 0.00 54.13 55.11 1m94 s LEU 19 Cb -0.03 -4.34 1.75 0.00 0.03 0.00 0.00 46.19 43.60 1m94 s LEU 19 CO 0.01 -0.28 2.16 0.00 0.23 0.00 0.00 176.35 178.47 1m94 h ALA 20 N 2.36 1.15 0.00 4.21 0.00 -1.95 -1.45 119.26 123.58 1m94 h ALA 20 Ca -0.48 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 1m94 h ALA 20 Cb 1.19 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1m94 h ALA 20 CO 0.62 0.06 -0.30 1.05 0.00 0.00 0.00 179.25 180.68 1m94 h GLU 21 N 0.00 0.00 -7.28 0.00 -0.00 -1.95 0.60 114.58 105.96 1m94 h GLU 21 Ca -0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 59.36 58.84 1m94 h GLU 21 Cb 0.25 0.00 0.14 0.00 -0.00 0.00 0.00 28.75 29.14 1m94 h GLU 21 CO 0.01 0.16 0.31 -0.51 -0.00 0.00 0.00 179.01 178.98 1m94 s ASP 22 N -6.18 4.24 0.59 3.06 1.01 -0.55 -4.63 116.67 114.21 1m94 s ASP 22 Ca 0.05 1.97 0.01 0.00 0.71 0.00 0.00 52.55 55.29 1m94 s ASP 22 Cb 0.06 -2.54 0.06 0.00 1.01 0.00 0.00 42.92 41.51 1m94 s ASP 22 CO 0.71 -2.22 0.83 -0.44 0.21 0.00 0.00 175.17 174.26 1m94 s SER 23 N -3.02 5.03 0.46 0.27 0.01 -1.26 -0.81 113.70 114.38 1m94 s SER 23 Ca 0.64 -0.16 0.14 0.00 1.31 0.00 0.00 55.95 57.88 1m94 s SER 23 Cb -0.20 -0.58 1.06 0.00 0.21 0.00 0.00 66.02 66.52 1m94 s SER 23 CO 0.53 -1.34 2.05 0.58 0.41 0.00 0.00 173.24 175.48 1m94 h VAL 24 N -0.07 1.08 -0.48 3.43 2.07 -1.61 -2.03 116.25 118.64 1m94 h VAL 24 Ca -0.40 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 66.78 1m94 h VAL 24 Cb 1.29 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 1m94 h VAL 24 CO 0.48 0.11 0.30 1.23 0.02 0.00 0.00 177.57 179.71 1m94 h GLY 25 N 0.35 0.67 1.49 2.17 0.00 -1.81 -0.45 103.07 105.50 1m94 h GLY 25 Ca 0.02 -0.23 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 1m94 h GLY 25 CO 0.01 0.21 -0.14 -1.80 0.00 0.00 0.00 176.54 174.82 1m94 h ASP 26 N 0.60 0.59 -0.69 0.19 3.58 -1.75 -1.61 116.42 117.34 1m94 h ASP 26 Ca 0.18 -0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.46 1m94 h ASP 26 Cb -0.02 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 40.83 1m94 h ASP 26 CO -0.07 0.76 0.41 0.15 -2.88 0.00 0.00 179.24 177.62 1m94 h PHE 27 N 0.55 0.90 0.00 0.28 3.04 -0.74 -1.87 116.94 119.10 1m94 h PHE 27 Ca 0.10 -0.00 -0.12 0.00 3.98 0.00 0.00 57.97 61.93 1m94 h PHE 27 Cb 0.56 -0.30 -0.02 0.00 2.56 0.00 0.00 35.95 38.76 1m94 h PHE 27 CO 0.02 0.61 -0.56 0.87 -2.02 0.00 0.00 178.31 177.23 1m94 h LYS 28 N 0.93 0.00 -0.55 1.11 1.57 -0.78 -1.26 116.57 117.59 1m94 h LYS 28 Ca 0.25 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.92 1m94 h LYS 28 Cb -0.03 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1m94 h LYS 28 CO -0.05 0.56 -0.06 0.87 -0.57 0.00 0.00 179.45 180.20 1m94 h LYS 29 N 0.00 1.02 0.16 3.15 1.57 -0.57 0.14 116.57 122.04 1m94 h LYS 29 Ca -0.01 -0.35 -0.30 0.00 -1.87 0.00 0.00 60.65 58.12 1m94 h LYS 29 Cb 1.00 -0.08 0.03 0.00 0.08 0.00 0.00 32.23 33.26 1m94 h LYS 29 CO 0.07 1.04 -1.30 0.28 -0.57 0.00 0.00 179.45 178.97 1m94 h VAL 30 N 0.90 1.34 -0.49 0.50 2.07 -1.29 -3.30 116.25 115.97 1m94 h VAL 30 Ca 0.15 -2.68 -0.11 0.00 0.82 0.00 0.00 66.70 64.88 1m94 h VAL 30 Cb 0.62 2.85 -0.02 0.00 -1.52 0.00 0.00 31.29 33.22 1m94 h VAL 30 CO 0.04 0.80 -0.14 0.25 0.02 0.00 0.00 177.57 178.54 1m94 h LEU 31 N 0.18 0.95 -2.33 2.57 5.85 -1.17 -2.75 115.31 118.61 1m94 h LEU 31 Ca -0.19 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.24 1m94 h LEU 31 Cb 1.99 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.76 1m94 h LEU 31 CO 0.24 1.08 0.15 0.77 -0.34 0.00 0.00 178.44 180.35 1m94 h SER 32 N 0.83 0.00 0.42 1.25 4.64 -0.80 -0.50 113.55 119.41 1m94 h SER 32 Ca 0.13 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.28 1m94 h SER 32 Cb 0.69 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 1m94 h SER 32 CO 0.05 0.00 -0.69 -0.07 -0.87 0.00 0.00 176.83 175.25 1m94 h LEU 33 N 0.00 0.27 0.10 5.97 3.38 -1.58 0.31 115.31 123.77 1m94 h LEU 33 Ca 0.06 -0.18 -0.18 0.00 0.09 0.00 0.00 57.88 57.67 1m94 h LEU 33 Cb 0.36 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.04 1m94 h LEU 33 CO -0.00 0.88 -0.86 1.56 0.09 0.00 0.00 178.44 180.10 1m94 h GLN 34 N 0.16 0.20 0.08 1.13 7.50 -1.20 -3.40 115.11 119.58 1m94 h GLN 34 Ca -0.02 -0.35 -0.31 0.00 0.50 0.00 0.00 58.65 58.47 1m94 h GLN 34 Cb 1.23 0.13 -0.02 0.00 0.05 0.00 0.00 27.48 28.87 1m94 h GLN 34 CO 0.11 1.17 -1.69 -0.84 -1.50 0.00 0.00 178.83 176.07 1m94 h ILE 35 N -0.52 0.76 -0.67 2.54 3.07 -1.46 -3.50 117.51 117.72 1m94 h ILE 35 Ca -0.18 -2.28 0.00 0.00 1.55 0.00 0.00 64.86 63.95 1m94 h ILE 35 Cb 1.53 2.40 0.00 0.00 -0.27 0.00 0.00 36.82 40.48 1m94 h ILE 35 CO 0.07 0.66 0.00 0.61 -1.05 0.00 0.00 178.15 178.44 1m94 n GLY 36 N 1.76 0.89 0.00 0.16 0.00 0.11 -5.04 105.19 103.07 1m94 n GLY 36 Ca -0.32 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.34 0.15 -1.26 2.61 -2.24 -1.24 -5.06 114.28 106.90 1m94 n THR 37 Ca 0.00 -0.29 0.09 0.00 -2.27 0.00 0.00 64.05 61.58 1m94 n THR 37 Cb 0.11 1.29 -0.05 0.00 -2.10 0.00 0.00 70.33 69.59 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 -0.08 -3.09 -1.32 -0.78 3.00 -1.26 -3.37 117.38 110.48 1m94 n GLN 38 Ca 0.00 2.47 -0.38 0.00 -0.01 0.00 0.00 57.00 59.09 1m94 n GLN 38 Cb 0.23 -3.33 -0.02 0.00 0.00 0.00 0.00 30.24 27.12 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 -3.34 2.90 0.00 -1.09 -0.04 -1.26 -3.32 135.00 128.84 1m94 n PRO 39 Ca -0.05 -2.15 0.00 0.00 -0.04 0.00 0.00 63.50 61.26 1m94 n PRO 39 Cb 0.51 -2.91 0.00 0.00 -0.04 0.00 0.00 33.50 31.06 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 4.94 0.00 -0.82 3.54 5.15 -1.26 -4.92 115.26 121.89 1m94 n ASN 40 Ca 0.61 0.00 0.09 0.00 -0.60 0.00 0.00 54.58 54.68 1m94 n ASN 40 Cb 0.28 0.05 0.24 0.00 -0.53 0.00 0.00 39.78 39.82 1m94 n ASN 40 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 1m94 n LYS 41 N -1.25 2.04 -3.70 1.20 4.81 -1.21 -4.88 118.16 115.18 1m94 n LYS 41 Ca 0.00 -1.60 -0.37 0.00 -0.87 0.00 0.00 58.31 55.47 1m94 n LYS 41 Cb 0.00 -1.38 -0.06 0.00 0.02 0.00 0.00 35.03 33.60 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 -1.48 5.34 -0.20 3.15 1.01 -1.25 -1.34 121.20 126.44 1m94 s ILE 42 Ca 0.32 0.43 0.01 0.00 0.00 0.00 0.00 60.65 61.41 1m94 s ILE 42 Cb 0.17 -3.53 0.04 0.00 0.01 0.00 0.00 42.46 39.14 1m94 s ILE 42 CO 0.23 0.54 -0.13 -0.69 0.00 0.00 0.00 174.94 174.88 1m94 s VAL 43 N -0.53 1.82 -0.15 2.92 1.01 0.22 -4.86 120.40 120.84 1m94 s VAL 43 Ca 0.16 -1.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.01 1m94 s VAL 43 Cb -0.13 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 1m94 s VAL 43 CO 0.05 0.28 0.19 -0.76 0.00 0.00 0.00 175.10 174.86 1m94 s LEU 44 N 1.34 4.30 -0.12 3.92 1.43 -1.26 -0.41 118.68 127.88 1m94 s LEU 44 Ca 0.00 0.43 0.02 0.00 -1.03 0.00 0.00 54.13 53.55 1m94 s LEU 44 Cb -0.15 -2.18 0.01 0.00 0.03 0.00 0.00 46.19 43.89 1m94 s LEU 44 CO -0.09 0.25 -0.18 -1.10 0.23 0.00 0.00 176.35 175.46 1m94 s GLN 45 N -0.21 2.55 -0.36 1.70 -0.21 -0.16 -1.08 119.66 121.88 1m94 s GLN 45 Ca 0.13 -0.69 0.04 0.00 0.02 0.00 0.00 55.36 54.87 1m94 s GLN 45 Cb -0.12 -2.10 0.10 0.00 1.00 0.00 0.00 33.01 31.89 1m94 s GLN 45 CO 0.03 -0.02 0.08 0.21 -2.12 0.00 0.00 175.29 173.46 1m94 s LYS 46 N 0.87 1.54 -0.99 2.91 2.20 -0.39 -1.12 119.74 124.77 1m94 s LYS 46 Ca -0.08 -1.98 -0.02 0.00 -0.36 0.00 0.00 55.97 53.53 1m94 s LYS 46 Cb -0.15 -3.22 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 1m94 s LYS 46 CO -0.01 -0.96 0.84 0.41 -0.36 0.00 0.00 175.35 175.27 1m94 n GLY 47 N 4.10 -0.20 2.61 5.54 0.00 -1.26 -3.20 105.19 112.77 1m94 n GLY 47 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.28 -0.04 3.01 -0.02 0.00 -1.26 -5.04 105.19 100.55 1m94 n GLY 48 Ca -0.16 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.68 -0.21 -0.23 1.61 0.15 -1.20 -5.12 113.70 105.03 1m94 s SER 49 Ca 0.10 0.44 -0.29 0.00 0.70 0.00 0.00 55.95 56.90 1m94 s SER 49 Cb -0.04 0.33 0.01 0.00 -1.71 0.00 0.00 66.02 64.60 1m94 s SER 49 CO 0.46 -0.16 1.05 -0.69 1.20 0.00 0.00 173.24 175.11 1m94 s VAL 50 N 1.20 4.65 -0.17 4.45 1.01 -1.26 -1.26 120.40 129.02 1m94 s VAL 50 Ca -0.09 1.99 -0.24 0.00 0.00 0.00 0.00 61.98 63.64 1m94 s VAL 50 Cb -0.11 -4.30 -0.02 0.00 0.00 0.00 0.00 36.38 31.96 1m94 s VAL 50 CO -0.07 -0.19 0.78 -0.76 0.00 0.00 0.00 175.10 174.86 1m94 s LEU 51 N 3.24 4.17 0.07 3.92 1.43 -0.24 -4.99 118.68 126.28 1m94 s LEU 51 Ca 0.45 1.09 0.03 0.00 -1.03 0.00 0.00 54.13 54.67 1m94 s LEU 51 Cb -0.15 -3.15 -0.04 0.00 0.03 0.00 0.00 46.19 42.88 1m94 s LEU 51 CO 0.07 -0.36 0.08 -0.54 0.23 0.00 0.00 176.35 175.83 1m94 s LYS 52 N 2.04 2.90 0.50 1.70 -0.14 -1.26 -4.51 119.74 120.97 1m94 s LYS 52 Ca 0.36 -0.67 0.21 0.00 -1.36 0.00 0.00 55.97 54.50 1m94 s LYS 52 Cb -0.16 -2.74 1.29 0.00 -1.68 0.00 0.00 37.83 34.54 1m94 s LYS 52 CO 0.12 0.57 2.07 0.38 -0.76 0.00 0.00 175.35 177.74 1m94 h ASP 53 N 3.36 0.00 0.43 2.83 2.03 -1.95 -1.89 116.42 121.23 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 1.16 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.66 1m94 h ASP 53 CO 0.66 0.12 0.00 1.41 -1.03 0.00 0.00 179.24 180.39 1m94 n HIS 54 N -4.07 0.67 -4.39 4.15 8.25 -1.26 -4.06 115.22 114.51 1m94 n HIS 54 Ca -0.02 0.29 -0.33 0.00 -0.26 0.00 0.00 57.72 57.40 1m94 n HIS 54 Cb 0.20 -0.97 -0.10 0.00 1.12 0.00 0.00 29.99 30.24 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 4.05 0.49 1.59 1.09 -0.71 -5.03 121.20 119.34 1m94 s ILE 55 Ca 0.02 -0.51 -0.18 0.00 -1.10 0.00 0.00 60.65 58.88 1m94 s ILE 55 Cb 0.08 -2.75 -0.09 0.00 -1.06 0.00 0.00 42.46 38.65 1m94 s ILE 55 CO 0.29 0.48 0.99 -0.55 -0.10 0.00 0.00 174.94 176.05 1m94 s SER 56 N -1.23 6.62 0.37 3.58 0.15 -1.26 -2.34 113.70 119.59 1m94 s SER 56 Ca 0.16 1.66 0.04 0.00 0.70 0.00 0.00 55.95 58.52 1m94 s SER 56 Cb -0.11 -2.53 0.70 0.00 -1.71 0.00 0.00 66.02 62.38 1m94 s SER 56 CO 0.06 -0.59 1.99 -0.07 1.20 0.00 0.00 173.24 175.83 1m94 h LEU 57 N 1.24 0.57 -1.48 3.45 3.38 -1.09 -1.63 115.31 119.74 1m94 h LEU 57 Ca -0.48 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.45 1m94 h LEU 57 Cb 1.19 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1m94 h LEU 57 CO 0.61 0.47 0.28 -0.08 0.09 0.00 0.00 178.44 179.81 1m94 h GLU 58 N 0.65 0.63 -0.35 1.13 4.81 -1.08 -0.87 114.58 119.50 1m94 h GLU 58 Ca 0.17 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1m94 h GLU 58 Cb 0.04 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1m94 h GLU 58 CO -0.03 0.45 0.06 -0.44 -0.73 0.00 0.00 179.01 178.32 1m94 h ASP 59 N 0.65 0.56 0.92 1.04 3.32 -1.60 -2.19 116.42 119.11 1m94 h ASP 59 Ca 0.17 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1m94 h ASP 59 Cb -0.02 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.38 1m94 h ASP 59 CO -0.03 0.68 0.00 1.88 -1.72 0.00 0.00 179.24 180.04 1m94 h TYR 60 N 0.42 0.00 -3.75 4.55 0.05 -1.30 -3.47 116.97 113.47 1m94 h TYR 60 Ca 0.11 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.85 1m94 h TYR 60 Cb 0.35 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.13 1m94 h TYR 60 CO 0.02 0.00 -0.14 -1.91 -1.05 0.00 0.00 178.16 175.08 1m94 n GLU 61 N -2.60 -0.56 -3.04 4.88 0.00 -0.39 -5.00 120.64 113.93 1m94 n GLU 61 Ca 0.02 0.53 -0.41 0.00 0.00 0.00 0.00 57.16 57.29 1m94 n GLU 61 Cb 0.28 -2.84 -0.06 0.00 0.00 0.00 0.00 31.44 28.82 1m94 n GLU 61 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1m94 s VAL 62 N -3.06 4.87 0.44 6.31 1.01 -1.11 -5.04 120.40 123.81 1m94 s VAL 62 Ca 0.07 0.96 0.01 0.00 0.00 0.00 0.00 61.98 63.02 1m94 s VAL 62 Cb -0.01 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 1m94 s VAL 62 CO 0.23 -0.21 0.65 -2.28 0.00 0.00 0.00 175.10 173.49 1m94 s HIS 63 N 2.78 3.24 0.26 5.22 2.46 -1.26 -4.90 115.29 123.08 1m94 s HIS 63 Ca 0.28 0.22 -0.29 0.00 0.47 0.00 0.00 55.06 55.74 1m94 s HIS 63 Cb -0.14 -2.27 -0.09 0.00 -0.13 0.00 0.00 32.58 29.94 1m94 s HIS 63 CO 0.13 -0.31 1.25 0.16 -2.47 0.00 0.00 174.74 173.50 1m94 s ASP 64 N -4.20 6.95 -1.42 9.88 -4.77 -1.26 -2.80 116.67 119.05 1m94 s ASP 64 Ca 0.48 2.46 -0.03 0.00 -3.30 0.00 0.00 52.55 52.16 1m94 s ASP 64 Cb -0.10 -2.63 0.00 0.00 -1.09 0.00 0.00 42.92 39.11 1m94 s ASP 64 CO 0.37 -0.43 0.44 1.67 0.70 0.00 0.00 175.17 177.92 1m94 n GLN 65 N 1.64 -3.80 -2.75 2.11 -0.06 0.91 -4.97 117.38 110.46 1m94 n GLN 65 Ca 0.02 0.82 -0.29 0.00 -2.00 0.00 0.00 57.00 55.56 1m94 n GLN 65 Cb 0.43 -5.44 -0.02 0.00 -4.06 0.00 0.00 30.24 21.15 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 -3.07 4.84 -0.26 1.69 -1.32 -1.12 -4.82 115.64 111.58 1m94 s THR 66 Ca 0.22 0.45 -0.13 0.00 -1.21 0.00 0.00 61.69 61.02 1m94 s THR 66 Cb -0.10 -3.79 -0.05 0.00 -1.51 0.00 0.00 72.50 67.06 1m94 s THR 66 CO 0.27 -0.67 0.26 0.21 -2.21 0.00 0.00 174.62 172.48 1m94 s ASN 67 N -3.57 6.16 0.32 8.08 3.84 -1.26 -2.18 114.94 126.33 1m94 s ASN 67 Ca 0.50 0.17 0.09 0.00 0.21 0.00 0.00 52.86 53.83 1m94 s ASN 67 Cb -0.10 -2.15 -0.05 0.00 -0.55 0.00 0.00 41.25 38.39 1m94 s ASN 67 CO 0.37 -0.06 -0.01 -0.76 -2.79 0.00 0.00 177.10 173.86 1m94 s LEU 68 N 1.60 2.99 -0.08 3.21 1.43 0.08 -4.88 118.68 123.03 1m94 s LEU 68 Ca 0.11 -0.92 -0.01 0.00 -1.03 0.00 0.00 54.13 52.27 1m94 s LEU 68 Cb -0.15 -1.41 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 1m94 s LEU 68 CO 0.09 -0.16 -0.02 -0.70 0.23 0.00 0.00 176.35 175.79 1m94 s GLU 69 N -3.69 2.96 -0.06 1.70 -6.30 -0.27 -0.80 118.70 112.24 1m94 s GLU 69 Ca 0.34 -0.44 0.03 0.00 -2.50 0.00 0.00 54.97 52.39 1m94 s GLU 69 Cb -0.02 -2.75 -0.03 0.00 0.00 0.00 0.00 34.13 31.33 1m94 s GLU 69 CO 0.19 0.67 -0.12 -1.17 0.02 0.00 0.00 175.26 174.86 1m94 s LEU 70 N -0.81 2.89 0.05 2.70 2.96 -0.04 -0.99 118.68 125.44 1m94 s LEU 70 Ca 0.12 -0.13 -0.04 0.00 -0.22 0.00 0.00 54.13 53.87 1m94 s LEU 70 Cb -0.11 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 44.95 1m94 s LEU 70 CO 0.02 0.35 0.04 -0.31 -1.32 0.00 0.00 176.35 175.14 1m94 s TYR 71 N -0.76 0.35 -0.12 5.38 2.02 0.46 -4.20 117.35 120.48 1m94 s TYR 71 Ca 0.12 -0.81 -0.03 0.00 -0.37 0.00 0.00 57.07 55.98 1m94 s TYR 71 Cb -0.11 -0.25 -0.03 0.00 -0.40 0.00 0.00 41.96 41.17 1m94 s TYR 71 CO 0.01 -0.40 -0.01 0.71 -1.57 0.00 0.00 175.55 174.29 1m94 s TYR 72 N -3.45 3.09 -2.00 2.71 2.02 -1.26 -0.61 117.35 117.85 1m94 s TYR 72 Ca 0.02 -0.02 0.27 0.00 -0.37 0.00 0.00 57.07 56.97 1m94 s TYR 72 Cb 0.04 -1.87 1.62 0.00 -0.40 0.00 0.00 41.96 41.35 1m94 s TYR 72 CO -0.08 0.23 1.97 -0.11 -1.57 0.00 0.00 175.55 175.98