#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 2.55 -0.36 1.12 -4.36 -0.38 -4.91 121.20 114.86 1m94 s ILE 2 Ca 0.00 -2.21 -0.04 0.00 -0.26 0.00 0.00 60.65 58.13 1m94 s ILE 2 Cb 0.00 -2.55 0.07 0.00 1.25 0.00 0.00 42.46 41.23 1m94 s ILE 2 CO 0.00 -0.30 0.12 -0.70 0.24 0.00 0.00 174.94 174.30 1m94 s GLU 3 N -3.59 2.35 0.20 0.37 -6.30 -1.26 -1.32 118.70 109.14 1m94 s GLU 3 Ca 0.32 -1.46 0.04 0.00 -2.50 0.00 0.00 54.97 51.37 1m94 s GLU 3 Cb -0.02 -3.45 -0.03 0.00 0.00 0.00 0.00 34.13 30.62 1m94 s GLU 3 CO 0.17 -0.82 0.31 0.14 0.02 0.00 0.00 175.26 175.08 1m94 s VAL 4 N 1.27 5.23 -0.11 3.70 -7.23 -0.64 -0.45 120.40 122.18 1m94 s VAL 4 Ca 0.01 -0.88 -0.04 0.00 -1.81 0.00 0.00 61.98 59.26 1m94 s VAL 4 Cb -0.21 -3.77 -0.04 0.00 0.56 0.00 0.00 36.38 32.92 1m94 s VAL 4 CO -0.01 -0.22 0.05 -0.69 -0.31 0.00 0.00 175.10 173.92 1m94 s VAL 5 N -1.88 4.74 -0.16 1.32 1.01 -0.45 -2.28 120.40 122.70 1m94 s VAL 5 Ca 0.34 -0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.24 1m94 s VAL 5 Cb -0.10 -3.04 0.04 0.00 0.00 0.00 0.00 36.38 33.29 1m94 s VAL 5 CO 0.28 0.59 -0.05 -0.69 0.00 0.00 0.00 175.10 175.23 1m94 s VAL 6 N -0.76 1.10 0.03 2.92 1.01 0.12 -0.22 120.40 124.59 1m94 s VAL 6 Ca 0.12 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 61.56 1m94 s VAL 6 Cb -0.12 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 1m94 s VAL 6 CO 0.03 0.13 -0.23 0.54 0.00 0.00 0.00 175.10 175.56 1m94 s ASN 7 N 1.64 3.37 0.07 3.32 2.20 -0.52 -0.41 114.94 124.61 1m94 s ASN 7 Ca 0.01 -0.50 0.25 0.00 -0.94 0.00 0.00 52.86 51.67 1m94 s ASN 7 Cb -0.15 -0.42 0.98 0.00 -2.00 0.00 0.00 41.25 39.67 1m94 s ASN 7 CO -0.08 0.27 1.77 0.47 -2.94 0.00 0.00 177.10 176.60 1m94 n ASP 8 N 1.86 0.24 -0.84 3.54 9.92 -0.53 -0.31 116.55 130.43 1m94 n ASP 8 Ca -0.17 0.53 -0.11 0.00 -0.53 0.00 0.00 54.79 54.52 1m94 n ASP 8 Cb 0.52 -0.59 -0.05 0.00 -0.64 0.00 0.00 41.12 40.36 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 -1.73 -0.78 0.09 -1.24 0.63 -1.26 -4.62 116.66 107.74 1m94 n ARG 9 Ca 0.05 0.88 0.00 0.00 -0.92 0.00 0.00 57.85 57.86 1m94 n ARG 9 Cb 0.31 -4.85 0.00 0.00 0.45 0.00 0.00 32.46 28.37 1m94 n ARG 9 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1m94 n LEU 10 N -1.24 0.14 -2.44 6.15 -0.00 -1.26 -5.03 117.00 113.32 1m94 n LEU 10 Ca -0.11 0.29 -0.03 0.00 -0.00 0.00 0.00 56.01 56.16 1m94 n LEU 10 Cb 0.36 0.14 0.02 0.00 -0.00 0.00 0.00 43.42 43.95 1m94 n LEU 10 CO 0.17 -0.66 0.54 0.61 -0.00 0.00 0.00 177.39 178.04 1m94 n GLY 11 N 2.05 -0.26 3.54 -3.96 0.00 -1.26 -5.15 105.19 100.15 1m94 n GLY 11 Ca 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 0.06 0.71 -0.08 1.61 2.20 -1.26 -5.03 119.74 117.95 1m94 s LYS 12 Ca 0.06 0.93 -0.03 0.00 -0.36 0.00 0.00 55.97 56.57 1m94 s LYS 12 Cb 0.13 0.30 0.04 0.00 -1.51 0.00 0.00 37.83 36.79 1m94 s LYS 12 CO -0.03 -0.10 0.07 0.21 -0.36 0.00 0.00 175.35 175.14 1m94 s LYS 13 N 0.61 -0.04 0.03 4.03 2.20 -1.26 -1.45 119.74 123.86 1m94 s LYS 13 Ca -0.02 0.28 0.07 0.00 -0.36 0.00 0.00 55.97 55.93 1m94 s LYS 13 Cb -0.05 -0.83 -0.02 0.00 -1.51 0.00 0.00 37.83 35.42 1m94 s LYS 13 CO -0.03 -0.41 -0.19 0.08 -0.36 0.00 0.00 175.35 174.43 1m94 s VAL 14 N 2.17 1.53 -0.06 4.02 1.01 0.45 -5.00 120.40 124.53 1m94 s VAL 14 Ca 0.04 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 60.93 1m94 s VAL 14 Cb -0.13 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 1m94 s VAL 14 CO -0.05 0.20 -0.07 0.00 0.00 0.00 0.00 175.10 175.18 1m94 s ARG 15 N -1.06 2.70 -0.03 2.72 1.70 -1.26 -0.70 118.95 123.01 1m94 s ARG 15 Ca 0.06 -0.59 -0.04 0.00 -0.47 0.00 0.00 55.73 54.70 1m94 s ARG 15 Cb -0.08 -2.56 0.01 0.00 -0.57 0.00 0.00 34.95 31.74 1m94 s ARG 15 CO 0.01 0.65 0.10 0.54 -1.08 0.00 0.00 175.30 175.53 1m94 s VAL 16 N -0.84 0.02 0.01 4.99 0.11 -0.97 -4.97 120.40 118.75 1m94 s VAL 16 Ca 0.13 -0.15 0.02 0.00 -2.93 0.00 0.00 61.98 59.05 1m94 s VAL 16 Cb -0.11 -0.20 -0.04 0.00 -1.53 0.00 0.00 36.38 34.51 1m94 s VAL 16 CO 0.02 -0.08 -0.01 -1.59 -3.33 0.00 0.00 175.10 170.10 1m94 s LYS 17 N -0.24 2.71 0.04 1.54 -2.85 -1.26 -1.62 119.74 118.06 1m94 s LYS 17 Ca -0.03 -0.66 -0.27 0.00 -1.00 0.00 0.00 55.97 54.01 1m94 s LYS 17 Cb -0.02 -2.62 0.09 0.00 -2.06 0.00 0.00 37.83 33.22 1m94 s LYS 17 CO 0.00 0.61 0.76 0.00 0.10 0.00 0.00 175.35 176.82 1m94 s LEU 19 N -2.35 4.24 0.57 0.00 1.43 -1.26 -1.25 118.68 120.06 1m94 s LEU 19 Ca 0.01 1.78 0.34 0.00 -1.03 0.00 0.00 54.13 55.23 1m94 s LEU 19 Cb -0.01 -4.13 1.68 0.00 0.03 0.00 0.00 46.19 43.77 1m94 s LEU 19 CO -0.08 -0.14 2.13 0.00 0.23 0.00 0.00 176.35 178.49 1m94 h ALA 20 N 2.86 1.13 0.00 4.21 0.00 -1.95 -1.57 119.26 123.93 1m94 h ALA 20 Ca -0.47 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.39 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 0.64 0.07 -0.35 1.05 0.00 0.00 0.00 179.25 180.66 1m94 h GLU 21 N 0.00 0.00 -7.18 0.00 4.11 -1.94 0.24 114.58 109.81 1m94 h GLU 21 Ca -0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.90 1m94 h GLU 21 Cb 0.30 0.00 0.16 0.00 0.50 0.00 0.00 28.75 29.71 1m94 h GLU 21 CO 0.01 0.00 0.39 -0.51 0.07 0.00 0.00 179.01 178.96 1m94 s ASP 22 N -5.63 4.17 0.58 3.06 1.01 -0.59 -4.66 116.67 114.60 1m94 s ASP 22 Ca 0.05 2.34 -0.09 0.00 0.71 0.00 0.00 52.55 55.56 1m94 s ASP 22 Cb 0.08 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.39 1m94 s ASP 22 CO 0.70 -2.28 0.94 -0.94 0.21 0.00 0.00 175.17 173.81 1m94 s SER 23 N -2.07 6.15 0.36 0.27 1.04 -1.26 -1.44 113.70 116.75 1m94 s SER 23 Ca 0.74 1.19 0.03 0.00 0.48 0.00 0.00 55.95 58.39 1m94 s SER 23 Cb -0.29 -2.31 0.66 0.00 0.10 0.00 0.00 66.02 64.18 1m94 s SER 23 CO 0.46 -0.81 2.01 0.58 0.98 0.00 0.00 173.24 176.45 1m94 h VAL 24 N -0.15 1.16 -0.50 5.02 2.07 -1.52 -1.28 116.25 121.05 1m94 h VAL 24 Ca -0.45 -0.32 0.05 0.00 0.82 0.00 0.00 66.70 66.80 1m94 h VAL 24 Cb 1.20 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 1m94 h VAL 24 CO 0.62 0.16 0.24 1.23 0.02 0.00 0.00 177.57 179.84 1m94 h GLY 25 N 0.82 0.69 1.15 2.17 0.00 -1.79 0.14 103.07 106.26 1m94 h GLY 25 Ca 0.21 -0.16 -0.09 0.00 0.00 0.00 0.00 47.33 47.28 1m94 h GLY 25 CO -0.04 0.10 -0.02 -1.80 0.00 0.00 0.00 176.54 174.78 1m94 h ASP 26 N 0.48 0.99 -0.77 0.19 3.58 -1.68 -1.38 116.42 117.83 1m94 h ASP 26 Ca 0.22 -0.28 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 1m94 h ASP 26 Cb 0.14 -0.27 -0.04 0.00 1.72 0.00 0.00 39.33 40.89 1m94 h ASP 26 CO -0.16 1.05 0.46 0.15 -2.88 0.00 0.00 179.24 177.85 1m94 h PHE 27 N 0.92 1.02 0.00 0.28 3.57 -0.23 -1.60 116.94 120.90 1m94 h PHE 27 Ca 0.16 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.56 1m94 h PHE 27 Cb 0.56 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1m94 h PHE 27 CO 0.04 0.69 -0.48 0.87 -2.23 0.00 0.00 178.31 177.19 1m94 h LYS 28 N 1.05 0.00 -0.34 1.11 1.57 -0.48 -1.96 116.57 117.53 1m94 h LYS 28 Ca 0.27 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.92 1m94 h LYS 28 Cb -0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1m94 h LYS 28 CO -0.05 0.48 -0.30 0.87 -0.57 0.00 0.00 179.45 179.88 1m94 h LYS 29 N 0.00 0.80 -0.24 3.15 1.57 -0.44 0.13 116.57 121.54 1m94 h LYS 29 Ca -0.00 -0.41 -0.19 0.00 -1.87 0.00 0.00 60.65 58.17 1m94 h LYS 29 Cb 0.90 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.22 1m94 h LYS 29 CO 0.06 1.04 -0.61 0.28 -0.57 0.00 0.00 179.45 179.65 1m94 h VAL 30 N 0.57 1.28 -0.15 0.50 2.07 -1.23 -2.89 116.25 116.41 1m94 h VAL 30 Ca 0.06 -1.81 -0.06 0.00 0.82 0.00 0.00 66.70 65.71 1m94 h VAL 30 Cb 0.87 1.75 -0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1m94 h VAL 30 CO 0.08 0.58 -0.13 0.25 0.02 0.00 0.00 177.57 178.37 1m94 h LEU 31 N 0.60 0.37 -2.36 2.57 5.85 -1.33 -2.99 115.31 118.03 1m94 h LEU 31 Ca -0.01 -0.47 0.03 0.00 0.84 0.00 0.00 57.88 58.27 1m94 h LEU 31 Cb 1.22 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 1m94 h LEU 31 CO 0.13 0.76 0.11 0.77 -0.34 0.00 0.00 178.44 179.87 1m94 h SER 32 N -0.01 0.00 -0.15 1.25 4.64 -0.78 -1.25 113.55 117.25 1m94 h SER 32 Ca 0.03 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.24 1m94 h SER 32 Cb 0.65 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 1m94 h SER 32 CO 0.03 0.00 -0.25 -0.07 -0.87 0.00 0.00 176.83 175.67 1m94 h LEU 33 N 0.00 0.61 0.05 5.97 3.38 -1.35 0.48 115.31 124.45 1m94 h LEU 33 Ca 0.04 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.70 1m94 h LEU 33 Cb 0.25 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1m94 h LEU 33 CO -0.00 0.84 -0.46 1.56 0.09 0.00 0.00 178.44 180.47 1m94 h GLN 34 N 0.53 0.10 0.00 1.13 4.20 -1.32 -3.34 115.11 116.41 1m94 h GLN 34 Ca 0.07 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.56 1m94 h GLN 34 Cb 0.71 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 1m94 h GLN 34 CO 0.05 1.08 -0.26 -0.84 -0.67 0.00 0.00 178.83 178.20 1m94 h ILE 35 N -0.78 0.53 -4.38 2.54 3.07 -1.46 -3.47 117.51 113.55 1m94 h ILE 35 Ca -0.10 -1.39 -0.25 0.00 1.55 0.00 0.00 64.86 64.68 1m94 h ILE 35 Cb 1.26 1.98 0.10 0.00 -0.27 0.00 0.00 36.82 39.89 1m94 h ILE 35 CO 0.02 0.25 -0.49 0.61 -1.05 0.00 0.00 178.15 177.49 1m94 n GLY 36 N 0.60 -0.08 0.00 0.16 0.00 0.17 -4.93 105.19 101.11 1m94 n GLY 36 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -3.72 0.84 -1.15 2.61 -1.04 -1.16 -5.06 114.28 105.61 1m94 n THR 37 Ca -0.09 -0.85 0.05 0.00 -2.04 0.00 0.00 64.05 61.12 1m94 n THR 37 Cb 0.58 0.58 -0.03 0.00 -1.82 0.00 0.00 70.33 69.64 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 -0.42 -2.88 0.03 -2.82 6.02 -1.26 -3.58 117.38 112.48 1m94 n GLN 38 Ca 0.00 2.28 0.12 0.00 -0.01 0.00 0.00 57.00 59.39 1m94 n GLN 38 Cb 0.27 -3.00 0.51 0.00 1.02 0.00 0.00 30.24 29.04 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 -2.93 0.07 0.00 -1.09 -0.04 -1.26 -3.13 135.00 126.62 1m94 n PRO 39 Ca -0.03 0.13 0.09 0.00 -0.04 0.00 0.00 63.50 63.65 1m94 n PRO 39 Cb 0.43 -1.60 0.02 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.73 1.98 -0.59 3.54 4.13 -1.26 -4.37 115.26 116.97 1m94 n ASN 40 Ca 0.06 -1.49 0.07 0.00 1.68 0.00 0.00 54.58 54.89 1m94 n ASN 40 Cb 0.32 0.34 0.20 0.00 -1.54 0.00 0.00 39.78 39.10 1m94 n ASN 40 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1m94 n LYS 41 N 0.23 1.97 -4.54 3.52 3.00 -1.18 -4.99 118.16 116.17 1m94 n LYS 41 Ca 0.08 -2.85 -0.22 0.00 -0.00 0.00 0.00 58.31 55.32 1m94 n LYS 41 Cb 0.41 -1.68 -0.16 0.00 0.00 0.00 0.00 35.03 33.60 1m94 n LYS 41 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.40 178.36 1m94 s ILE 42 N -2.96 0.99 -0.29 3.15 -4.36 -1.25 -4.01 121.20 112.46 1m94 s ILE 42 Ca 0.38 -0.48 -0.04 0.00 -0.26 0.00 0.00 60.65 60.25 1m94 s ILE 42 Cb 0.33 -0.86 0.03 0.00 1.25 0.00 0.00 42.46 43.21 1m94 s ILE 42 CO 0.03 0.30 0.02 -0.69 0.24 0.00 0.00 174.94 174.84 1m94 s VAL 43 N 0.09 3.32 -0.18 8.37 1.01 0.78 -4.94 120.40 128.85 1m94 s VAL 43 Ca -0.02 -1.09 -0.09 0.00 0.00 0.00 0.00 61.98 60.77 1m94 s VAL 43 Cb -0.09 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.44 1m94 s VAL 43 CO 0.01 -0.00 0.14 -0.76 0.00 0.00 0.00 175.10 174.49 1m94 s LEU 44 N 1.35 4.26 -0.13 3.92 1.43 -1.26 -1.20 118.68 127.05 1m94 s LEU 44 Ca -0.01 0.31 0.01 0.00 -1.03 0.00 0.00 54.13 53.40 1m94 s LEU 44 Cb -0.18 -2.10 0.02 0.00 0.03 0.00 0.00 46.19 43.96 1m94 s LEU 44 CO -0.00 0.24 -0.14 -1.10 0.23 0.00 0.00 176.35 175.58 1m94 s GLN 45 N -0.03 2.20 -0.76 1.70 -0.21 -0.13 -2.11 119.66 120.33 1m94 s GLN 45 Ca 0.10 -0.53 -0.16 0.00 0.02 0.00 0.00 55.36 54.80 1m94 s GLN 45 Cb -0.11 -1.99 0.17 0.00 1.00 0.00 0.00 33.01 32.07 1m94 s GLN 45 CO -0.00 -0.19 0.78 0.21 -2.12 0.00 0.00 175.29 173.97 1m94 s LYS 46 N 1.37 3.42 -0.96 2.91 2.20 -0.49 -0.25 119.74 127.93 1m94 s LYS 46 Ca 0.02 -2.04 -0.01 0.00 -0.36 0.00 0.00 55.97 53.58 1m94 s LYS 46 Cb -0.13 -4.47 0.00 0.00 -1.51 0.00 0.00 37.83 31.72 1m94 s LYS 46 CO -0.08 -1.42 0.81 0.41 -0.36 0.00 0.00 175.35 174.71 1m94 n GLY 47 N 4.65 -0.19 1.97 5.54 0.00 -1.25 -3.40 105.19 112.51 1m94 n GLY 47 Ca 0.08 -0.01 -0.06 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.22 0.35 2.75 -0.02 0.00 -1.26 -5.05 105.19 100.74 1m94 n GLY 48 Ca -0.18 -0.34 -0.17 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 -3.26 0.66 -0.14 1.61 0.15 -1.22 -5.12 113.70 106.38 1m94 s SER 49 Ca 0.10 0.13 -0.29 0.00 0.70 0.00 0.00 55.95 56.59 1m94 s SER 49 Cb -0.04 -0.02 -0.01 0.00 -1.71 0.00 0.00 66.02 64.24 1m94 s SER 49 CO 0.23 -0.21 1.11 0.68 1.20 0.00 0.00 173.24 176.25 1m94 s VAL 50 N 1.79 4.54 -0.20 4.45 -7.23 -1.26 -1.40 120.40 121.09 1m94 s VAL 50 Ca -0.01 1.84 -0.15 0.00 -1.81 0.00 0.00 61.98 61.86 1m94 s VAL 50 Cb -0.12 -4.19 -0.04 0.00 0.56 0.00 0.00 36.38 32.59 1m94 s VAL 50 CO -0.04 -0.08 0.37 -0.76 -0.31 0.00 0.00 175.10 174.28 1m94 s LEU 51 N 2.68 4.16 -0.04 1.32 1.43 -0.89 -4.98 118.68 122.35 1m94 s LEU 51 Ca 0.50 0.47 -0.00 0.00 -1.03 0.00 0.00 54.13 54.07 1m94 s LEU 51 Cb -0.19 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 1m94 s LEU 51 CO 0.15 -0.05 0.02 -0.54 0.23 0.00 0.00 176.35 176.16 1m94 s LYS 52 N 1.22 2.94 0.55 1.70 3.01 -1.26 -4.68 119.74 123.22 1m94 s LYS 52 Ca 0.18 -0.50 0.22 0.00 -1.01 0.00 0.00 55.97 54.86 1m94 s LYS 52 Cb -0.14 -2.77 1.47 0.00 -1.01 0.00 0.00 37.83 35.37 1m94 s LYS 52 CO 0.07 0.66 2.15 -0.44 0.51 0.00 0.00 175.35 178.31 1m94 h ASP 53 N 4.59 0.00 0.53 2.83 3.32 -1.97 -0.82 116.42 124.90 1m94 h ASP 53 Ca -0.50 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.53 1m94 h ASP 53 Cb 1.18 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.73 1m94 h ASP 53 CO 0.57 0.00 -0.11 0.45 -1.72 0.00 0.00 179.24 178.44 1m94 h HIS 54 N 0.00 0.00 -2.67 4.55 3.86 -1.96 -3.28 115.15 115.65 1m94 h HIS 54 Ca 0.04 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.69 1m94 h HIS 54 Cb 0.17 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.60 1m94 h HIS 54 CO 0.00 0.11 -0.51 0.42 0.86 0.00 0.00 177.93 178.81 1m94 s ILE 55 N -4.01 5.00 0.37 2.45 1.09 -0.31 -4.99 121.20 120.79 1m94 s ILE 55 Ca -0.02 -0.80 -0.05 0.00 -1.10 0.00 0.00 60.65 58.69 1m94 s ILE 55 Cb 0.12 -3.55 -0.05 0.00 -1.06 0.00 0.00 42.46 37.92 1m94 s ILE 55 CO 0.57 -0.06 0.64 -0.55 -0.10 0.00 0.00 174.94 175.44 1m94 s SER 56 N -3.08 6.38 0.27 3.58 0.15 -1.26 -1.81 113.70 117.94 1m94 s SER 56 Ca 0.33 0.78 -0.04 0.00 0.70 0.00 0.00 55.95 57.72 1m94 s SER 56 Cb -0.11 -2.17 0.35 0.00 -1.71 0.00 0.00 66.02 62.38 1m94 s SER 56 CO 0.26 -0.35 1.93 -0.07 1.20 0.00 0.00 173.24 176.22 1m94 h LEU 57 N 1.04 1.02 -1.59 3.45 3.38 -1.39 -1.69 115.31 119.52 1m94 h LEU 57 Ca -0.48 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.46 1m94 h LEU 57 Cb 1.20 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 1m94 h LEU 57 CO 0.64 0.77 0.30 -0.08 0.09 0.00 0.00 178.44 180.16 1m94 h GLU 58 N 1.18 0.53 -0.37 1.13 4.81 -0.72 -0.33 114.58 120.81 1m94 h GLU 58 Ca 0.31 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.48 1m94 h GLU 58 Cb -0.07 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 1m94 h GLU 58 CO -0.06 0.35 0.10 0.22 -0.73 0.00 0.00 179.01 178.89 1m94 h ASP 59 N 0.55 0.56 1.16 1.04 3.58 -1.60 -2.19 116.42 119.52 1m94 h ASP 59 Ca 0.18 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.41 1m94 h ASP 59 Cb 0.04 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 40.95 1m94 h ASP 59 CO -0.04 0.63 0.00 1.88 -2.88 0.00 0.00 179.24 178.82 1m94 h TYR 60 N 0.46 0.00 -3.92 0.28 0.05 -1.25 -3.48 116.97 109.11 1m94 h TYR 60 Ca 0.12 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.88 1m94 h TYR 60 Cb 0.28 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.03 1m94 h TYR 60 CO 0.01 0.00 -0.05 -1.91 -1.05 0.00 0.00 178.16 175.16 1m94 n GLU 61 N -2.60 -0.56 -3.17 4.88 0.00 -0.20 -5.00 120.64 113.99 1m94 n GLU 61 Ca 0.03 0.80 -0.40 0.00 0.00 0.00 0.00 57.16 57.59 1m94 n GLU 61 Cb 0.34 -3.15 -0.06 0.00 0.00 0.00 0.00 31.44 28.57 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 -3.02 5.05 0.32 6.31 1.01 -1.15 -5.04 120.40 123.88 1m94 s VAL 62 Ca 0.03 1.09 0.05 0.00 0.00 0.00 0.00 61.98 63.15 1m94 s VAL 62 Cb -0.00 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 1m94 s VAL 62 CO 0.29 0.13 0.46 -2.28 0.00 0.00 0.00 175.10 173.70 1m94 s HIS 63 N 1.83 3.29 0.41 5.22 2.46 -1.26 -4.88 115.29 122.36 1m94 s HIS 63 Ca 0.27 -0.03 -0.25 0.00 0.47 0.00 0.00 55.06 55.52 1m94 s HIS 63 Cb -0.16 -1.87 -0.08 0.00 -0.13 0.00 0.00 32.58 30.34 1m94 s HIS 63 CO 0.10 0.13 1.20 0.16 -2.47 0.00 0.00 174.74 173.85 1m94 s ASP 64 N -4.09 6.43 -1.62 9.88 -4.77 -1.26 -2.89 116.67 118.35 1m94 s ASP 64 Ca 0.41 2.41 -0.03 0.00 -3.30 0.00 0.00 52.55 52.04 1m94 s ASP 64 Cb -0.09 -2.62 0.00 0.00 -1.09 0.00 0.00 42.92 39.12 1m94 s ASP 64 CO 0.32 -0.74 0.43 0.00 0.70 0.00 0.00 175.17 175.87 1m94 n GLN 65 N 0.02 -3.94 -2.31 2.11 3.00 0.40 -4.95 117.38 111.71 1m94 n GLN 65 Ca 0.04 0.94 -0.28 0.00 -0.01 0.00 0.00 57.00 57.69 1m94 n GLN 65 Cb 0.46 -5.74 0.01 0.00 0.00 0.00 0.00 30.24 24.98 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 -3.14 4.42 -0.28 5.09 -1.32 -1.14 -4.78 115.64 114.49 1m94 s THR 66 Ca 0.21 0.35 -0.13 0.00 -1.21 0.00 0.00 61.69 60.91 1m94 s THR 66 Cb -0.09 -3.73 -0.04 0.00 -1.51 0.00 0.00 72.50 67.12 1m94 s THR 66 CO 0.26 -0.81 0.26 0.21 -2.21 0.00 0.00 174.62 172.33 1m94 s ASN 67 N -4.20 6.11 0.12 8.08 3.84 -1.26 -1.34 114.94 126.29 1m94 s ASN 67 Ca 0.52 0.09 0.09 0.00 0.21 0.00 0.00 52.86 53.77 1m94 s ASN 67 Cb -0.11 -2.16 -0.04 0.00 -0.55 0.00 0.00 41.25 38.40 1m94 s ASN 67 CO 0.48 -0.11 -0.19 -0.76 -2.79 0.00 0.00 177.10 173.73 1m94 s LEU 68 N 1.88 2.67 -0.04 3.21 1.43 0.69 -3.85 118.68 124.67 1m94 s LEU 68 Ca 0.10 -0.58 -0.01 0.00 -1.03 0.00 0.00 54.13 52.61 1m94 s LEU 68 Cb -0.16 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.51 1m94 s LEU 68 CO 0.11 0.18 0.04 -1.61 0.23 0.00 0.00 176.35 175.29 1m94 s GLU 69 N -2.14 3.00 -0.09 1.70 8.01 0.65 -1.43 118.70 128.39 1m94 s GLU 69 Ca 0.18 -0.46 0.04 0.00 0.01 0.00 0.00 54.97 54.74 1m94 s GLU 69 Cb -0.10 -2.82 -0.00 0.00 -4.31 0.00 0.00 34.13 26.89 1m94 s GLU 69 CO 0.10 0.67 -0.24 -1.17 0.01 0.00 0.00 175.26 174.63 1m94 s LEU 70 N -1.34 2.08 0.01 1.80 2.96 0.58 -0.95 118.68 123.82 1m94 s LEU 70 Ca 0.18 -0.55 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 1m94 s LEU 70 Cb -0.12 -1.39 -0.01 0.00 0.50 0.00 0.00 46.19 45.17 1m94 s LEU 70 CO 0.08 0.17 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.92 1m94 s TYR 71 N 0.27 0.45 -0.21 5.38 2.02 -0.34 -4.20 117.35 120.72 1m94 s TYR 71 Ca -0.16 -0.23 -0.07 0.00 -0.37 0.00 0.00 57.07 56.24 1m94 s TYR 71 Cb -0.17 -0.28 -0.04 0.00 -0.40 0.00 0.00 41.96 41.07 1m94 s TYR 71 CO 0.08 -0.04 0.06 0.71 -1.57 0.00 0.00 175.55 174.79 1m94 s TYR 72 N -0.56 3.17 -1.82 2.71 2.02 -1.26 -0.16 117.35 121.45 1m94 s TYR 72 Ca -0.03 -0.13 0.15 0.00 -0.37 0.00 0.00 57.07 56.68 1m94 s TYR 72 Cb -0.05 -2.14 0.12 0.00 -0.40 0.00 0.00 41.96 39.49 1m94 s TYR 72 CO -0.00 -0.07 0.96 -0.11 -1.57 0.00 0.00 175.55 174.76