#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 1.72 -0.23 1.12 -4.36 0.40 -4.97 121.20 114.87 1m94 s ILE 2 Ca 0.00 -2.19 0.01 0.00 -0.26 0.00 0.00 60.65 58.21 1m94 s ILE 2 Cb 0.00 -2.16 0.04 0.00 1.25 0.00 0.00 42.46 41.59 1m94 s ILE 2 CO 0.00 -0.51 -0.12 -0.70 0.24 0.00 0.00 174.94 173.85 1m94 s GLU 3 N -3.67 2.60 0.14 0.37 -6.30 -1.26 -1.44 118.70 109.14 1m94 s GLU 3 Ca 0.25 -1.11 0.08 0.00 -2.50 0.00 0.00 54.97 51.69 1m94 s GLU 3 Cb 0.00 -2.82 -0.04 0.00 0.00 0.00 0.00 34.13 31.27 1m94 s GLU 3 CO 0.08 -0.42 -0.12 0.14 0.02 0.00 0.00 175.26 174.96 1m94 s VAL 4 N 1.21 3.19 -0.07 3.70 -7.23 -0.72 -0.30 120.40 120.18 1m94 s VAL 4 Ca -0.03 -1.46 -0.00 0.00 -1.81 0.00 0.00 61.98 58.68 1m94 s VAL 4 Cb -0.17 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.22 1m94 s VAL 4 CO -0.07 0.03 -0.03 0.68 -0.31 0.00 0.00 175.10 175.40 1m94 s VAL 5 N -1.38 4.04 -0.12 1.32 -7.23 -0.99 -1.61 120.40 114.42 1m94 s VAL 5 Ca 0.22 -0.40 0.03 0.00 -1.81 0.00 0.00 61.98 60.02 1m94 s VAL 5 Cb -0.10 -2.69 0.01 0.00 0.56 0.00 0.00 36.38 34.15 1m94 s VAL 5 CO 0.13 0.57 -0.20 -0.69 -0.31 0.00 0.00 175.10 174.60 1m94 s VAL 6 N -0.89 1.91 -0.20 1.32 1.01 -0.13 -0.55 120.40 122.87 1m94 s VAL 6 Ca 0.14 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1m94 s VAL 6 Cb -0.11 -1.69 0.03 0.00 0.00 0.00 0.00 36.38 34.61 1m94 s VAL 6 CO 0.03 0.52 -0.17 0.54 0.00 0.00 0.00 175.10 176.02 1m94 s ASN 7 N 0.78 3.46 0.26 3.32 2.20 -0.39 -0.97 114.94 123.60 1m94 s ASN 7 Ca -0.09 -0.80 -0.29 0.00 -0.94 0.00 0.00 52.86 50.75 1m94 s ASN 7 Cb -0.16 -1.51 -0.09 0.00 -2.00 0.00 0.00 41.25 37.49 1m94 s ASN 7 CO -0.00 -0.04 0.93 -0.62 -2.94 0.00 0.00 177.10 174.43 1m94 s ASP 8 N 1.26 7.54 0.34 3.54 -1.08 0.67 -1.10 116.67 127.83 1m94 s ASP 8 Ca 0.02 1.90 0.05 0.00 -0.52 0.00 0.00 52.55 54.00 1m94 s ASP 8 Cb -0.15 -2.59 0.62 0.00 -1.46 0.00 0.00 42.92 39.34 1m94 s ASP 8 CO -0.11 0.09 1.86 -0.09 0.52 0.00 0.00 175.17 177.44 1m94 h ARG 9 N 3.86 0.44 -0.28 4.34 9.65 -1.87 -2.80 114.38 127.72 1m94 h ARG 9 Ca -0.46 -0.11 -0.02 0.00 -1.10 0.00 0.00 59.98 58.29 1m94 h ARG 9 Cb 1.20 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.71 1m94 h ARG 9 CO 0.67 0.53 0.08 -0.07 2.80 0.00 0.00 179.97 183.98 1m94 h LEU 10 N 0.41 0.41 0.00 3.80 3.38 -1.92 -3.46 115.31 117.92 1m94 h LEU 10 Ca 0.08 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1m94 h LEU 10 Cb 0.41 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1m94 h LEU 10 CO 0.02 0.51 0.00 0.61 0.09 0.00 0.00 178.44 179.67 1m94 n GLY 11 N -0.61 -0.72 2.79 0.83 0.00 -1.06 -5.15 105.19 101.27 1m94 n GLY 11 Ca -0.03 0.10 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 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 0.33 -0.52 1.61 2.47 -1.23 -4.95 119.74 117.45 1m94 s LYS 12 Ca 0.00 -0.05 -0.15 0.00 -1.56 0.00 0.00 55.97 54.21 1m94 s LYS 12 Cb 0.00 -0.63 0.12 0.00 -1.46 0.00 0.00 37.83 35.86 1m94 s LYS 12 CO 0.00 -0.99 0.46 0.15 0.16 0.00 0.00 175.35 175.13 1m94 s LYS 13 N 2.39 2.89 -0.02 4.03 3.01 -1.26 -0.24 119.74 130.54 1m94 s LYS 13 Ca 0.09 -1.69 0.07 0.00 -1.01 0.00 0.00 55.97 53.44 1m94 s LYS 13 Cb -0.14 -4.21 -0.02 0.00 -1.01 0.00 0.00 37.83 32.45 1m94 s LYS 13 CO -0.31 -1.28 -0.24 0.08 0.51 0.00 0.00 175.35 174.12 1m94 s VAL 14 N 1.56 1.89 0.04 3.17 1.01 -0.14 -4.98 120.40 122.94 1m94 s VAL 14 Ca 0.04 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1m94 s VAL 14 Cb -0.29 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 1m94 s VAL 14 CO 0.03 0.52 0.14 0.00 0.00 0.00 0.00 175.10 175.79 1m94 s ARG 15 N -0.59 3.22 -0.15 2.72 1.70 -1.26 -0.96 118.95 123.63 1m94 s ARG 15 Ca 0.09 -0.49 -0.16 0.00 -0.47 0.00 0.00 55.73 54.70 1m94 s ARG 15 Cb -0.09 -2.93 0.04 0.00 -0.57 0.00 0.00 34.95 31.40 1m94 s ARG 15 CO -0.01 0.62 0.44 0.54 -1.08 0.00 0.00 175.30 175.81 1m94 s VAL 16 N -1.37 0.01 0.11 4.99 0.11 -0.63 -4.95 120.40 118.65 1m94 s VAL 16 Ca 0.29 -0.05 0.02 0.00 -2.93 0.00 0.00 61.98 59.31 1m94 s VAL 16 Cb -0.12 -0.63 -0.04 0.00 -1.53 0.00 0.00 36.38 34.05 1m94 s VAL 16 CO 0.22 -0.03 0.24 -1.59 -3.33 0.00 0.00 175.10 170.61 1m94 s LYS 17 N 0.02 3.41 0.00 1.54 -2.85 -1.26 -1.76 119.74 118.84 1m94 s LYS 17 Ca -0.02 -0.54 0.00 0.00 -1.00 0.00 0.00 55.97 54.41 1m94 s LYS 17 Cb -0.03 -2.98 0.00 0.00 -2.06 0.00 0.00 37.83 32.76 1m94 s LYS 17 CO 0.01 0.56 0.00 0.00 0.10 0.00 0.00 175.35 176.02 1m94 s LEU 19 N 0.00 2.27 0.44 0.00 1.43 -1.26 -0.46 118.68 121.10 1m94 s LEU 19 Ca 0.00 -0.58 0.10 0.00 -1.03 0.00 0.00 54.13 52.61 1m94 s LEU 19 Cb 0.00 -0.18 0.96 0.00 0.03 0.00 0.00 46.19 47.00 1m94 s LEU 19 CO 0.00 -0.21 2.06 0.00 0.23 0.00 0.00 176.35 178.43 1m94 h ALA 20 N 4.38 1.75 0.00 4.21 0.00 -1.97 -0.32 119.26 127.32 1m94 h ALA 20 Ca -0.36 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1m94 h ALA 20 Cb 1.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1m94 h ALA 20 CO 0.42 0.21 -0.07 1.05 0.00 0.00 0.00 179.25 180.86 1m94 h GLU 21 N 0.35 0.00 -7.05 0.00 9.09 -1.94 0.17 114.58 115.20 1m94 h GLU 21 Ca 0.09 0.00 -0.55 0.00 0.05 0.00 0.00 59.36 58.95 1m94 h GLU 21 Cb 0.02 0.00 0.14 0.00 -1.65 0.00 0.00 28.75 27.26 1m94 h GLU 21 CO -0.01 0.00 0.62 0.34 0.05 0.00 0.00 179.01 180.00 1m94 s ASP 22 N -5.69 5.24 0.46 3.06 2.15 -0.13 -4.62 116.67 117.14 1m94 s ASP 22 Ca 0.08 2.79 -0.04 0.00 0.43 0.00 0.00 52.55 55.81 1m94 s ASP 22 Cb 0.07 -2.64 -0.03 0.00 -0.30 0.00 0.00 42.92 40.03 1m94 s ASP 22 CO 0.66 -1.59 0.73 -0.55 -0.17 0.00 0.00 175.17 174.25 1m94 s SER 23 N -0.93 6.19 0.40 -0.34 0.15 -1.26 -0.89 113.70 117.02 1m94 s SER 23 Ca 0.72 0.76 0.09 0.00 0.70 0.00 0.00 55.95 58.21 1m94 s SER 23 Cb -0.41 -2.11 0.85 0.00 -1.71 0.00 0.00 66.02 62.64 1m94 s SER 23 CO 0.48 -0.56 1.99 0.58 1.20 0.00 0.00 173.24 176.93 1m94 h VAL 24 N 0.32 1.13 0.08 4.45 2.07 -1.67 -0.83 116.25 121.80 1m94 h VAL 24 Ca -0.47 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 66.58 1m94 h VAL 24 Cb 1.22 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 1m94 h VAL 24 CO 0.61 0.16 -0.04 1.23 0.02 0.00 0.00 177.57 179.56 1m94 h GLY 25 N 0.59 -0.12 1.58 2.17 0.00 -1.78 0.89 103.07 106.40 1m94 h GLY 25 Ca 0.09 0.04 -0.08 0.00 0.00 0.00 0.00 47.33 47.38 1m94 h GLY 25 CO -0.00 -0.04 -0.15 -1.80 0.00 0.00 0.00 176.54 174.55 1m94 h ASP 26 N -0.13 0.49 -0.45 0.19 3.58 -1.82 -2.31 116.42 115.97 1m94 h ASP 26 Ca -0.01 -0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.29 1m94 h ASP 26 Cb 0.10 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.00 1m94 h ASP 26 CO 0.02 0.66 0.21 0.15 -2.88 0.00 0.00 179.24 177.40 1m94 h PHE 27 N 0.46 0.65 0.00 0.28 3.57 -0.59 -2.01 116.94 119.30 1m94 h PHE 27 Ca 0.08 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 1m94 h PHE 27 Cb 0.53 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1m94 h PHE 27 CO 0.02 0.54 -0.34 0.87 -2.23 0.00 0.00 178.31 177.16 1m94 h LYS 28 N 0.58 0.00 -0.32 1.11 1.57 -0.57 -1.52 116.57 117.42 1m94 h LYS 28 Ca 0.15 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.82 1m94 h LYS 28 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1m94 h LYS 28 CO -0.02 0.34 -0.22 0.87 -0.57 0.00 0.00 179.45 179.85 1m94 h LYS 29 N 0.00 0.72 -0.29 3.15 1.57 -0.89 0.14 116.57 120.97 1m94 h LYS 29 Ca -0.00 -0.35 -0.13 0.00 -1.87 0.00 0.00 60.65 58.30 1m94 h LYS 29 Cb 0.60 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 1m94 h LYS 29 CO 0.04 0.96 -0.33 0.28 -0.57 0.00 0.00 179.45 179.83 1m94 h VAL 30 N 0.49 1.30 -0.53 0.50 2.07 -1.17 -3.14 116.25 115.76 1m94 h VAL 30 Ca 0.06 -1.51 -0.12 0.00 0.82 0.00 0.00 66.70 65.96 1m94 h VAL 30 Cb 0.78 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.13 1m94 h VAL 30 CO 0.06 0.48 -0.14 0.25 0.02 0.00 0.00 177.57 178.25 1m94 h LEU 31 N 0.48 1.04 -2.01 2.57 5.85 -1.26 -2.84 115.31 119.15 1m94 h LEU 31 Ca 0.04 -0.36 0.16 0.00 0.84 0.00 0.00 57.88 58.56 1m94 h LEU 31 Cb 0.91 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1m94 h LEU 31 CO 0.08 1.17 0.42 -1.28 -0.34 0.00 0.00 178.44 178.48 1m94 h SER 32 N 0.91 0.00 -0.22 1.25 0.87 -0.67 -0.20 113.55 115.49 1m94 h SER 32 Ca 0.13 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.60 1m94 h SER 32 Cb 0.71 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.66 1m94 h SER 32 CO 0.05 0.00 -0.18 -0.07 -0.53 0.00 0.00 176.83 176.11 1m94 h LEU 33 N 0.00 0.66 0.00 2.23 3.38 -1.47 0.50 115.31 120.60 1m94 h LEU 33 Ca 0.26 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1m94 h LEU 33 Cb 1.09 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1m94 h LEU 33 CO -0.00 0.84 -0.31 1.56 0.09 0.00 0.00 178.44 180.62 1m94 h GLN 34 N 0.59 0.00 0.00 1.13 4.20 -1.18 -3.36 115.11 116.49 1m94 h GLN 34 Ca 0.09 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.68 1m94 h GLN 34 Cb 0.64 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 1m94 h GLN 34 CO 0.04 0.93 -0.58 -0.84 -0.67 0.00 0.00 178.83 177.72 1m94 h ILE 35 N -1.00 1.10 -4.39 2.54 3.07 -1.43 -3.48 117.51 113.93 1m94 h ILE 35 Ca -0.08 -2.26 -0.22 0.00 1.55 0.00 0.00 64.86 63.85 1m94 h ILE 35 Cb 1.02 2.34 0.11 0.00 -0.27 0.00 0.00 36.82 40.02 1m94 h ILE 35 CO -0.05 0.57 -0.50 0.61 -1.05 0.00 0.00 178.15 177.73 1m94 n GLY 36 N 0.87 -0.08 0.13 0.16 0.00 0.18 -4.94 105.19 101.50 1m94 n GLY 36 Ca 0.01 -0.10 0.01 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.12 0.31 -1.09 2.61 -1.04 -1.23 -5.07 114.28 105.66 1m94 n THR 37 Ca -0.18 -0.65 0.03 0.00 -2.04 0.00 0.00 64.05 61.21 1m94 n THR 37 Cb 0.61 0.89 -0.02 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 0.04 -2.79 0.00 -2.82 6.02 -1.26 -3.46 117.38 113.11 1m94 n GLN 38 Ca 0.02 2.19 0.10 0.00 -0.01 0.00 0.00 57.00 59.30 1m94 n GLN 38 Cb 0.14 -2.81 0.44 0.00 1.02 0.00 0.00 30.24 29.02 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 -2.60 0.01 0.00 -1.09 -0.04 -1.26 -2.78 135.00 127.25 1m94 n PRO 39 Ca -0.02 0.15 0.11 0.00 -0.04 0.00 0.00 63.50 63.70 1m94 n PRO 39 Cb 0.38 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.28 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 -1.49 0.74 -0.41 3.54 3.02 -1.26 -4.27 115.26 115.12 1m94 n ASN 40 Ca 0.05 -0.64 0.08 0.00 -0.03 0.00 0.00 54.58 54.04 1m94 n ASN 40 Cb 0.23 1.01 0.16 0.00 -0.61 0.00 0.00 39.78 40.58 1m94 n ASN 40 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1m94 n LYS 41 N -1.69 2.30 -4.53 3.52 0.00 -1.12 -4.85 118.16 111.80 1m94 n LYS 41 Ca 0.03 -2.45 -0.34 0.00 0.00 0.00 0.00 58.31 55.55 1m94 n LYS 41 Cb 0.38 -1.52 -0.12 0.00 0.00 0.00 0.00 35.03 33.78 1m94 n LYS 41 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1m94 s ILE 42 N -2.35 3.74 -0.15 3.15 1.01 -1.20 -2.12 121.20 123.28 1m94 s ILE 42 Ca 0.30 -0.43 -0.00 0.00 0.00 0.00 0.00 60.65 60.51 1m94 s ILE 42 Cb 0.24 -2.59 0.03 0.00 0.01 0.00 0.00 42.46 40.15 1m94 s ILE 42 CO 0.06 0.54 -0.09 -0.69 0.00 0.00 0.00 174.94 174.76 1m94 s VAL 43 N -0.08 1.25 0.03 2.92 1.01 0.23 -4.85 120.40 120.91 1m94 s VAL 43 Ca 0.01 -0.57 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 1m94 s VAL 43 Cb -0.13 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1m94 s VAL 43 CO 0.03 0.28 0.23 -0.76 0.00 0.00 0.00 175.10 174.89 1m94 s LEU 44 N 1.60 4.36 -0.01 3.92 1.43 -1.26 -0.26 118.68 128.45 1m94 s LEU 44 Ca 0.03 0.42 0.05 0.00 -1.03 0.00 0.00 54.13 53.60 1m94 s LEU 44 Cb -0.14 -2.78 -0.01 0.00 0.03 0.00 0.00 46.19 43.29 1m94 s LEU 44 CO -0.09 0.22 -0.17 -1.10 0.23 0.00 0.00 176.35 175.45 1m94 s GLN 45 N -2.08 1.32 -0.41 1.70 -1.52 -0.69 -0.96 119.66 117.03 1m94 s GLN 45 Ca 0.30 -0.62 0.02 0.00 -1.95 0.00 0.00 55.36 53.11 1m94 s GLN 45 Cb -0.13 -1.28 0.12 0.00 -0.22 0.00 0.00 33.01 31.50 1m94 s GLN 45 CO 0.20 0.35 0.19 0.21 -0.25 0.00 0.00 175.29 176.00 1m94 s LYS 46 N -0.48 1.21 -0.92 2.91 2.47 0.21 -1.57 119.74 123.58 1m94 s LYS 46 Ca 0.06 -1.83 -0.01 0.00 -1.56 0.00 0.00 55.97 52.64 1m94 s LYS 46 Cb -0.07 -2.38 -0.01 0.00 -1.46 0.00 0.00 37.83 33.91 1m94 s LYS 46 CO -0.00 -1.10 0.77 0.41 0.16 0.00 0.00 175.35 175.59 1m94 n GLY 47 N 3.86 -0.27 2.61 5.54 0.00 -1.26 -3.39 105.19 112.28 1m94 n GLY 47 Ca 0.06 0.04 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.13 -0.04 3.18 -0.02 0.00 -1.26 -5.04 105.19 100.88 1m94 n GLY 48 Ca -0.20 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.40 -0.01 1.61 0.15 -1.22 -5.14 113.70 105.02 1m94 s SER 49 Ca 0.10 0.72 -0.30 0.00 0.70 0.00 0.00 55.95 57.17 1m94 s SER 49 Cb -0.04 0.62 -0.03 0.00 -1.71 0.00 0.00 66.02 64.86 1m94 s SER 49 CO 0.46 -0.17 0.99 0.54 1.20 0.00 0.00 173.24 176.26 1m94 s VAL 50 N 1.13 4.82 -0.01 4.45 0.11 -1.26 -0.62 120.40 129.02 1m94 s VAL 50 Ca -0.08 2.03 -0.15 0.00 -2.93 0.00 0.00 61.98 60.85 1m94 s VAL 50 Cb -0.08 -4.30 -0.06 0.00 -1.53 0.00 0.00 36.38 30.41 1m94 s VAL 50 CO -0.09 0.14 0.42 -0.76 -3.33 0.00 0.00 175.10 171.48 1m94 s LEU 51 N 1.13 4.45 0.12 2.54 1.43 -0.13 -4.94 118.68 123.27 1m94 s LEU 51 Ca 0.52 0.95 0.10 0.00 -1.03 0.00 0.00 54.13 54.67 1m94 s LEU 51 Cb -0.21 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.37 1m94 s LEU 51 CO 0.27 0.29 -0.25 -0.54 0.23 0.00 0.00 176.35 176.35 1m94 s LYS 52 N -0.89 1.30 0.47 1.70 1.02 -1.26 -4.46 119.74 117.63 1m94 s LYS 52 Ca 0.24 -1.27 0.13 0.00 0.02 0.00 0.00 55.97 55.10 1m94 s LYS 52 Cb -0.17 -1.70 1.10 0.00 -0.52 0.00 0.00 37.83 36.55 1m94 s LYS 52 CO 0.13 0.40 2.09 0.38 -0.92 0.00 0.00 175.35 177.43 1m94 h ASP 53 N 3.99 0.13 0.42 2.83 2.03 -1.95 -1.51 116.42 122.35 1m94 h ASP 53 Ca -0.49 -0.01 -0.01 0.00 -0.73 0.00 0.00 57.03 55.80 1m94 h ASP 53 Cb 1.17 -0.03 -0.00 0.00 -0.83 0.00 0.00 39.33 39.64 1m94 h ASP 53 CO 0.39 0.13 -0.04 0.45 -1.03 0.00 0.00 179.24 179.15 1m94 h HIS 54 N 0.15 0.00 -3.16 4.15 3.86 -1.96 -3.32 115.15 114.87 1m94 h HIS 54 Ca 0.04 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.58 1m94 h HIS 54 Cb 0.05 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 28.41 1m94 h HIS 54 CO 0.00 0.04 -0.59 0.42 0.86 0.00 0.00 177.93 178.66 1m94 s ILE 55 N -4.03 4.60 0.55 2.45 1.09 -0.57 -5.03 121.20 120.27 1m94 s ILE 55 Ca -0.02 -0.28 -0.14 0.00 -1.10 0.00 0.00 60.65 59.10 1m94 s ILE 55 Cb 0.12 -3.02 -0.06 0.00 -1.06 0.00 0.00 42.46 38.44 1m94 s ILE 55 CO 0.51 0.49 0.99 -0.55 -0.10 0.00 0.00 174.94 176.27 1m94 s SER 56 N -1.29 6.45 0.37 3.58 0.15 -1.26 -2.52 113.70 119.19 1m94 s SER 56 Ca 0.18 1.47 0.05 0.00 0.70 0.00 0.00 55.95 58.34 1m94 s SER 56 Cb -0.12 -2.48 0.72 0.00 -1.71 0.00 0.00 66.02 62.44 1m94 s SER 56 CO 0.08 -0.69 2.01 -0.07 1.20 0.00 0.00 173.24 175.76 1m94 h LEU 57 N 0.42 0.58 -1.43 3.45 3.38 -1.16 -1.97 115.31 118.57 1m94 h LEU 57 Ca -0.46 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 57.54 1m94 h LEU 57 Cb 1.19 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 1m94 h LEU 57 CO 0.62 0.46 0.44 -0.08 0.09 0.00 0.00 178.44 179.97 1m94 h GLU 58 N 0.66 0.68 -0.34 1.13 4.57 -0.85 0.87 114.58 121.29 1m94 h GLU 58 Ca 0.17 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.29 1m94 h GLU 58 Cb -0.00 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.42 1m94 h GLU 58 CO -0.03 0.45 0.13 -0.44 -1.18 0.00 0.00 179.01 177.93 1m94 h ASP 59 N 0.70 0.48 1.16 1.04 3.32 -1.65 -2.07 116.42 119.40 1m94 h ASP 59 Ca 0.29 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1m94 h ASP 59 Cb 0.24 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1m94 h ASP 59 CO -0.09 0.54 0.00 1.88 -1.72 0.00 0.00 179.24 179.84 1m94 h TYR 60 N 0.41 0.00 -3.18 4.55 0.05 -1.34 -3.48 116.97 113.98 1m94 h TYR 60 Ca 0.11 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.89 1m94 h TYR 60 Cb 0.21 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.95 1m94 h TYR 60 CO 0.00 0.00 -0.02 -1.91 -1.05 0.00 0.00 178.16 175.18 1m94 n GLU 61 N -2.49 -0.12 -3.79 4.88 4.07 0.22 -5.05 120.64 118.36 1m94 n GLU 61 Ca 0.03 0.42 -0.37 0.00 -0.06 0.00 0.00 57.16 57.19 1m94 n GLU 61 Cb 0.34 -1.82 -0.13 0.00 -0.06 0.00 0.00 31.44 29.77 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 -3.01 3.82 0.19 6.31 1.01 -1.00 -5.01 120.40 122.71 1m94 s VAL 62 Ca 0.01 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.31 1m94 s VAL 62 Cb -0.00 -2.94 -0.00 0.00 0.00 0.00 0.00 36.38 33.44 1m94 s VAL 62 CO 0.06 0.13 0.01 1.41 0.00 0.00 0.00 175.10 176.70 1m94 n HIS 63 N 4.84 0.41 -2.15 5.22 8.25 -1.26 -4.36 115.22 126.17 1m94 n HIS 63 Ca -0.15 -0.96 -0.37 0.00 -0.26 0.00 0.00 57.72 55.97 1m94 n HIS 63 Cb 0.48 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.48 1m94 n HIS 63 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 1m94 s ASP 64 N -2.06 5.99 -1.43 0.41 -4.77 -1.26 -3.19 116.67 110.35 1m94 s ASP 64 Ca 0.01 2.41 -0.09 0.00 -3.30 0.00 0.00 52.55 51.58 1m94 s ASP 64 Cb 0.00 -2.61 0.02 0.00 -1.09 0.00 0.00 42.92 39.24 1m94 s ASP 64 CO 0.01 -1.05 1.01 0.00 0.70 0.00 0.00 175.17 175.83 1m94 n GLN 65 N -0.58 -6.80 -3.99 2.11 1.13 0.58 -4.89 117.38 104.94 1m94 n GLN 65 Ca 0.08 0.80 -0.23 0.00 -1.94 0.00 0.00 57.00 55.71 1m94 n GLN 65 Cb 0.47 -5.78 -0.03 0.00 0.11 0.00 0.00 30.24 25.01 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 -3.27 5.14 -0.18 5.09 -1.32 -1.19 -4.98 115.64 114.92 1m94 s THR 66 Ca 0.53 -0.96 -0.09 0.00 -1.21 0.00 0.00 61.69 59.97 1m94 s THR 66 Cb -0.24 -3.74 -0.05 0.00 -1.51 0.00 0.00 72.50 66.96 1m94 s THR 66 CO 0.66 -0.25 0.11 0.21 -2.21 0.00 0.00 174.62 173.13 1m94 s ASN 67 N -3.70 6.04 0.09 8.08 3.84 -1.26 -2.34 114.94 125.68 1m94 s ASN 67 Ca 0.34 0.21 0.06 0.00 0.21 0.00 0.00 52.86 53.68 1m94 s ASN 67 Cb -0.09 -2.04 -0.03 0.00 -0.55 0.00 0.00 41.25 38.54 1m94 s ASN 67 CO 0.28 0.21 -0.17 -0.76 -2.79 0.00 0.00 177.10 173.88 1m94 s LEU 68 N 0.16 2.30 0.13 3.21 1.43 0.29 -4.85 118.68 121.35 1m94 s LEU 68 Ca 0.08 -0.66 0.03 0.00 -1.03 0.00 0.00 54.13 52.54 1m94 s LEU 68 Cb -0.11 -0.65 -0.04 0.00 0.03 0.00 0.00 46.19 45.42 1m94 s LEU 68 CO -0.01 -0.04 0.19 -0.70 0.23 0.00 0.00 176.35 176.03 1m94 s GLU 69 N -1.90 3.18 0.10 1.70 -6.30 -0.61 -1.26 118.70 113.61 1m94 s GLU 69 Ca 0.02 -0.67 0.09 0.00 -2.50 0.00 0.00 54.97 51.91 1m94 s GLU 69 Cb -0.09 -2.84 -0.03 0.00 0.00 0.00 0.00 34.13 31.16 1m94 s GLU 69 CO 0.03 0.53 -0.24 -1.17 0.02 0.00 0.00 175.26 174.43 1m94 s LEU 70 N -2.93 2.28 -0.03 2.70 2.96 -0.26 -1.70 118.68 121.70 1m94 s LEU 70 Ca 0.33 -0.68 -0.12 0.00 -0.22 0.00 0.00 54.13 53.43 1m94 s LEU 70 Cb -0.11 -1.07 0.02 0.00 0.50 0.00 0.00 46.19 45.52 1m94 s LEU 70 CO 0.26 0.14 0.27 -0.31 -1.32 0.00 0.00 176.35 175.38 1m94 s TYR 71 N -1.04 -0.15 -0.36 5.38 2.02 0.64 -2.94 117.35 120.89 1m94 s TYR 71 Ca 0.10 0.26 -0.09 0.00 -0.37 0.00 0.00 57.07 56.97 1m94 s TYR 71 Cb -0.10 0.06 0.04 0.00 -0.40 0.00 0.00 41.96 41.57 1m94 s TYR 71 CO 0.04 -0.33 0.17 0.71 -1.57 0.00 0.00 175.55 174.57 1m94 s TYR 72 N -1.10 3.26 0.00 2.71 2.02 -1.26 -0.60 117.35 122.39 1m94 s TYR 72 Ca -0.12 -1.26 0.00 0.00 -0.37 0.00 0.00 57.07 55.32 1m94 s TYR 72 Cb -0.05 -2.43 0.00 0.00 -0.40 0.00 0.00 41.96 39.08 1m94 s TYR 72 CO 0.03 -0.71 0.00 -0.11 -1.57 0.00 0.00 175.55 173.19