#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g17 s ILE 20 N 0.00 0.21 -0.11 -1.33 1.01 -1.26 -1.84 121.20 117.88 1g17 s ILE 20 Ca 0.00 -0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.50 1g17 s ILE 20 Cb 0.00 -0.19 0.01 0.00 0.01 0.00 0.00 42.46 42.28 1g17 s ILE 20 CO 0.00 0.02 -0.22 -0.04 0.00 0.00 0.00 174.94 174.70 1g17 s MET 21 N -0.18 2.89 -0.26 2.79 -1.94 -0.41 -4.97 119.30 117.22 1g17 s MET 21 Ca -0.00 -0.82 -0.19 0.00 -1.71 0.00 0.00 55.69 52.97 1g17 s MET 21 Cb -0.02 -2.27 -0.02 0.00 2.01 0.00 0.00 34.83 34.53 1g17 s MET 21 CO -0.00 0.07 0.56 0.15 -0.01 0.00 0.00 175.02 175.79 1g17 s LYS 22 N 0.61 4.09 -0.05 2.03 1.02 -1.26 -1.42 119.74 124.76 1g17 s LYS 22 Ca -0.13 0.42 0.05 0.00 0.02 0.00 0.00 55.97 56.33 1g17 s LYS 22 Cb -0.17 -3.65 -0.01 0.00 -0.52 0.00 0.00 37.83 33.49 1g17 s LYS 22 CO 0.03 -0.37 -0.21 0.42 -0.92 0.00 0.00 175.35 174.31 1g17 s ILE 23 N 2.37 1.70 0.02 2.17 1.01 -0.56 -0.54 121.20 127.36 1g17 s ILE 23 Ca 0.23 -0.87 0.06 0.00 0.00 0.00 0.00 60.65 60.07 1g17 s ILE 23 Cb -0.16 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.84 1g17 s ILE 23 CO 0.09 0.48 -0.16 -0.76 0.00 0.00 0.00 174.94 174.58 1g17 s LEU 24 N -0.09 2.68 -0.18 2.97 1.02 0.02 0.28 118.68 125.37 1g17 s LEU 24 Ca -0.03 -0.36 -0.01 0.00 0.02 0.00 0.00 54.13 53.75 1g17 s LEU 24 Cb -0.12 -1.56 0.00 0.00 0.02 0.00 0.00 46.19 44.53 1g17 s LEU 24 CO 0.02 0.27 -0.14 -0.76 0.02 0.00 0.00 176.35 175.77 1g17 s LEU 25 N -1.33 2.51 0.15 1.79 1.43 -0.59 -0.31 118.68 122.33 1g17 s LEU 25 Ca 0.14 -0.49 0.04 0.00 -1.03 0.00 0.00 54.13 52.79 1g17 s LEU 25 Cb -0.11 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.48 1g17 s LEU 25 CO 0.05 0.04 -0.07 0.27 0.23 0.00 0.00 176.35 176.87 1g17 s ILE 26 N 1.08 1.03 0.00 -0.59 -4.36 -0.14 -2.91 121.20 115.31 1g17 s ILE 26 Ca -0.00 -2.03 0.00 0.00 -0.26 0.00 0.00 60.65 58.36 1g17 s ILE 26 Cb -0.14 -1.91 0.00 0.00 1.25 0.00 0.00 42.46 41.65 1g17 s ILE 26 CO -0.04 -0.69 0.00 0.61 0.24 0.00 0.00 174.94 175.06 1g17 n GLY 27 N -0.20 3.03 3.58 6.27 0.00 -1.26 -1.08 105.19 115.53 1g17 n GLY 27 Ca -0.10 -1.44 -0.33 0.00 0.00 0.00 0.00 46.02 44.15 1g17 n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1g17 n ASP 28 N 0.00 -0.22 -4.73 1.61 9.92 -1.26 -4.27 116.55 117.60 1g17 n ASP 28 Ca 0.00 0.49 -0.42 0.00 -0.53 0.00 0.00 54.79 54.33 1g17 n ASP 28 Cb 0.00 -1.38 -0.03 0.00 -0.64 0.00 0.00 41.12 39.07 1g17 n ASP 28 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1g17 s SER 29 N -2.11 6.72 0.00 -2.24 0.15 -1.25 -3.02 113.70 111.96 1g17 s SER 29 Ca 0.67 2.55 0.00 0.00 0.70 0.00 0.00 55.95 59.87 1g17 s SER 29 Cb -0.27 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.43 1g17 s SER 29 CO 0.57 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.95 1g17 n GLY 30 N 2.69 0.60 0.22 9.45 0.00 -1.26 -4.95 105.19 111.94 1g17 n GLY 30 Ca 0.09 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.25 1g17 n GLY 30 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1g17 h VAL 31 N 0.00 0.00 0.00 1.61 -1.51 -1.90 -3.47 116.25 110.98 1g17 h VAL 31 Ca 0.00 -0.63 0.00 0.00 -1.23 0.00 0.00 66.70 64.84 1g17 h VAL 31 Cb 0.00 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 30.76 1g17 h VAL 31 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 1g17 n GLY 32 N 0.51 1.63 0.10 5.19 0.00 -1.26 -4.61 105.19 106.74 1g17 n GLY 32 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 1g17 n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g17 h LYS 33 N 0.00 0.15 -0.54 1.61 1.57 -1.91 -1.22 116.57 116.24 1g17 h LYS 33 Ca 0.00 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 1g17 h LYS 33 Cb 0.00 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1g17 h LYS 33 CO 0.00 0.10 0.02 0.77 -0.57 0.00 0.00 179.45 179.77 1g17 h SER 34 N 0.16 0.87 0.44 0.86 0.02 -1.96 -2.32 113.55 111.62 1g17 h SER 34 Ca 0.07 -0.22 -0.09 0.00 -0.84 0.00 0.00 61.79 60.71 1g17 h SER 34 Cb 0.03 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 1g17 h SER 34 CO -0.06 0.92 -0.43 0.00 -1.14 0.00 0.00 176.83 176.12 1g17 h LEU 36 N 0.00 0.72 -0.01 0.00 3.38 -0.93 -1.17 115.31 117.30 1g17 h LEU 36 Ca -0.00 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 1g17 h LEU 36 Cb 0.77 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1g17 h LEU 36 CO 0.06 1.19 -0.00 0.25 0.09 0.00 0.00 178.44 180.02 1g17 h LEU 37 N 0.45 0.03 -0.75 1.67 5.85 -1.11 -1.86 115.31 119.60 1g17 h LEU 37 Ca -0.02 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 1g17 h LEU 37 Cb 1.24 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 42.23 1g17 h LEU 37 CO 0.13 0.41 0.43 0.58 -0.34 0.00 0.00 178.44 179.65 1g17 h VAL 38 N -0.36 1.22 -0.26 1.05 2.07 -0.99 0.08 116.25 119.06 1g17 h VAL 38 Ca 0.00 -0.53 -0.05 0.00 0.82 0.00 0.00 66.70 66.94 1g17 h VAL 38 Cb 0.40 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1g17 h VAL 38 CO 0.00 0.24 -0.05 -0.09 0.02 0.00 0.00 177.57 177.70 1g17 h ARG 39 N 1.04 0.41 0.02 1.57 9.65 -1.12 0.29 114.38 126.24 1g17 h ARG 39 Ca 0.27 -0.09 -0.05 0.00 -1.10 0.00 0.00 59.98 59.00 1g17 h ARG 39 Cb 0.01 -0.06 0.01 0.00 -1.39 0.00 0.00 29.97 28.54 1g17 h ARG 39 CO -0.05 0.48 -0.22 0.35 2.80 0.00 0.00 179.97 183.33 1g17 h PHE 40 N 0.39 0.18 0.00 2.20 3.57 -0.78 -2.16 116.94 120.35 1g17 h PHE 40 Ca 0.08 -0.12 -0.16 0.00 3.53 0.00 0.00 57.97 61.30 1g17 h PHE 40 Cb 0.34 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 1g17 h PHE 40 CO 0.01 1.00 -0.97 0.28 -2.23 0.00 0.00 178.31 176.40 1g17 h VAL 41 N -0.68 0.98 0.00 1.41 2.07 -0.99 -3.39 116.25 115.65 1g17 h VAL 41 Ca -0.03 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 64.98 1g17 h VAL 41 Cb 1.08 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 33.27 1g17 h VAL 41 CO 0.04 0.56 0.00 -0.62 0.02 0.00 0.00 177.57 177.57 1g17 n GLU 42 N -3.15 0.78 -4.17 1.57 1.02 0.98 -5.03 120.64 112.63 1g17 n GLU 42 Ca -0.03 -0.74 -0.33 0.00 -0.02 0.00 0.00 57.16 56.04 1g17 n GLU 42 Cb 0.84 -0.76 -0.04 0.00 -0.02 0.00 0.00 31.44 31.46 1g17 n GLU 42 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1g17 n ASP 43 N -0.16 -1.74 -4.38 1.62 2.03 -0.81 -4.93 116.55 108.18 1g17 n ASP 43 Ca 0.00 -1.06 -0.26 0.00 0.52 0.00 0.00 54.79 53.99 1g17 n ASP 43 Cb 0.27 -2.64 -0.09 0.00 -0.72 0.00 0.00 41.12 37.95 1g17 n ASP 43 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1g17 s LYS 44 N -6.89 1.89 -0.17 -0.67 1.02 -1.23 -4.96 119.74 108.74 1g17 s LYS 44 Ca 0.42 -2.13 -0.06 0.00 0.02 0.00 0.00 55.97 54.22 1g17 s LYS 44 Cb -0.23 -0.93 0.08 0.00 -0.52 0.00 0.00 37.83 36.22 1g17 s LYS 44 CO 0.93 -0.33 0.35 0.12 -0.92 0.00 0.00 175.35 175.50 1g17 s PHE 45 N -3.14 -0.63 -0.29 3.18 5.36 -1.26 -3.03 117.98 118.16 1g17 s PHE 45 Ca 0.25 1.28 -0.19 0.00 -0.96 0.00 0.00 56.93 57.32 1g17 s PHE 45 Cb 0.05 0.16 -0.02 0.00 -0.34 0.00 0.00 43.02 42.87 1g17 s PHE 45 CO 0.13 -0.42 0.56 -0.80 -1.46 0.00 0.00 175.22 173.23 1g17 s ASN 46 N 2.46 6.44 0.51 6.13 -0.87 -1.26 -4.93 114.94 123.43 1g17 s ASN 46 Ca -0.01 0.39 0.30 0.00 -1.57 0.00 0.00 52.86 51.97 1g17 s ASN 46 Cb -0.12 -2.30 1.03 0.00 -0.02 0.00 0.00 41.25 39.85 1g17 s ASN 46 CO -0.11 -0.39 1.86 -0.65 -2.57 0.00 0.00 177.10 175.24 1g17 h PRO 47 N 8.16 0.00 -7.00 -0.60 0.11 -2.03 -3.45 132.00 127.19 1g17 h PRO 47 Ca -0.28 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.34 1g17 h PRO 47 Cb 1.13 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.28 1g17 h PRO 47 CO 0.76 0.00 0.15 -1.54 -0.21 0.00 0.00 178.00 177.16 1g17 s SER 48 N -5.86 6.17 -0.45 -2.05 1.04 -1.26 -5.04 113.70 106.25 1g17 s SER 48 Ca 0.03 0.96 -0.15 0.00 0.48 0.00 0.00 55.95 57.26 1g17 s SER 48 Cb 0.08 -2.20 0.05 0.00 0.10 0.00 0.00 66.02 64.05 1g17 s SER 48 CO 0.58 -0.67 0.37 0.12 0.98 0.00 0.00 173.24 174.62 1g17 s PHE 49 N -2.82 3.24 -0.69 5.02 2.19 -1.26 -4.99 117.98 118.66 1g17 s PHE 49 Ca 0.49 -0.80 0.03 0.00 0.33 0.00 0.00 56.93 56.98 1g17 s PHE 49 Cb -0.10 -2.99 0.17 0.00 -1.31 0.00 0.00 43.02 38.78 1g17 s PHE 49 CO 0.46 -0.74 0.49 0.42 1.83 0.00 0.00 175.22 177.68 1g17 s ILE 50 N 1.69 3.13 0.37 3.12 1.01 -1.26 -5.09 121.20 124.16 1g17 s ILE 50 Ca 0.05 -3.94 -0.25 0.00 0.00 0.00 0.00 60.65 56.52 1g17 s ILE 50 Cb -0.22 -3.05 -0.13 0.00 0.01 0.00 0.00 42.46 39.07 1g17 s ILE 50 CO 0.08 -0.97 0.70 1.07 0.00 0.00 0.00 174.94 175.82 1g17 n THR 51 N 2.36 1.93 -3.06 2.92 5.66 -1.26 -4.94 114.28 117.88 1g17 n THR 51 Ca 0.16 -0.50 -0.40 0.00 -3.05 0.00 0.00 64.05 60.26 1g17 n THR 51 Cb 0.35 -0.65 -0.05 0.00 -1.55 0.00 0.00 70.33 68.43 1g17 n THR 51 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1g17 s THR 52 N -1.30 5.03 -0.52 1.09 2.01 -1.26 -5.04 115.64 115.66 1g17 s THR 52 Ca 0.62 1.37 -0.21 0.00 0.31 0.00 0.00 61.69 63.78 1g17 s THR 52 Cb -0.66 -4.01 0.05 0.00 0.01 0.00 0.00 72.50 67.89 1g17 s THR 52 CO 0.58 0.19 0.74 -0.63 -0.69 0.00 0.00 174.62 174.81 1g17 s ILE 53 N 1.24 4.70 0.00 1.82 1.01 -1.26 -4.51 121.20 124.20 1g17 s ILE 53 Ca 0.34 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.83 1g17 s ILE 53 Cb -0.17 -4.38 0.00 0.00 0.01 0.00 0.00 42.46 37.93 1g17 s ILE 53 CO 0.15 -0.90 0.00 0.61 0.00 0.00 0.00 174.94 174.80 1g17 n GLY 54 N 5.14 1.80 3.49 6.18 0.00 -1.26 -4.75 105.19 115.79 1g17 n GLY 54 Ca -0.03 0.21 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 1g17 n GLY 54 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1g17 s ILE 55 N 0.00 0.00 0.10 -0.61 2.07 -1.26 -2.01 121.20 119.49 1g17 s ILE 55 Ca 0.00 -0.14 0.00 0.00 -1.41 0.00 0.00 60.65 59.10 1g17 s ILE 55 Cb 0.00 -1.15 -0.04 0.00 0.13 0.00 0.00 42.46 41.40 1g17 s ILE 55 CO 0.00 0.00 -0.02 -0.62 -1.91 0.00 0.00 174.94 172.39 1g17 s ASP 56 N -2.75 0.81 -0.09 4.50 2.15 0.17 -4.98 116.67 116.48 1g17 s ASP 56 Ca 0.03 -1.06 -0.04 0.00 0.43 0.00 0.00 52.55 51.91 1g17 s ASP 56 Cb -0.02 0.17 0.04 0.00 -0.30 0.00 0.00 42.92 42.81 1g17 s ASP 56 CO -0.10 -0.57 0.18 0.12 -0.17 0.00 0.00 175.17 174.64 1g17 s PHE 57 N -3.79 -0.23 0.24 -5.34 5.36 -1.26 -1.07 117.98 111.88 1g17 s PHE 57 Ca 0.14 0.63 0.00 0.00 -0.96 0.00 0.00 56.93 56.75 1g17 s PHE 57 Cb 0.07 -0.08 -0.05 0.00 -0.34 0.00 0.00 43.02 42.62 1g17 s PHE 57 CO -0.04 -0.22 0.10 0.15 -1.46 0.00 0.00 175.22 173.75 1g17 s LYS 58 N 1.55 1.33 0.02 10.12 1.02 0.13 -4.99 119.74 128.90 1g17 s LYS 58 Ca -0.06 -1.71 -0.09 0.00 0.02 0.00 0.00 55.97 54.14 1g17 s LYS 58 Cb -0.11 -0.08 0.00 0.00 -0.52 0.00 0.00 37.83 37.12 1g17 s LYS 58 CO -0.07 -0.32 0.17 0.96 -0.92 0.00 0.00 175.35 175.17 1g17 s ILE 59 N -3.89 0.10 -0.16 2.17 -4.36 -1.26 0.45 121.20 114.25 1g17 s ILE 59 Ca 0.38 -0.79 -0.24 0.00 -0.26 0.00 0.00 60.65 59.74 1g17 s ILE 59 Cb 0.08 -0.67 0.06 0.00 1.25 0.00 0.00 42.46 43.17 1g17 s ILE 59 CO 0.13 -0.44 0.61 -0.75 0.24 0.00 0.00 174.94 174.73 1g17 s LYS 60 N -1.94 0.81 -0.27 0.37 2.20 -0.77 -4.99 119.74 115.16 1g17 s LYS 60 Ca -0.10 0.60 -0.15 0.00 -0.36 0.00 0.00 55.97 55.95 1g17 s LYS 60 Cb -0.04 0.39 -0.04 0.00 -1.51 0.00 0.00 37.83 36.63 1g17 s LYS 60 CO -0.01 -0.16 0.39 0.99 -0.36 0.00 0.00 175.35 176.20 1g17 s THR 61 N -0.25 5.16 0.19 3.43 2.01 -1.26 -0.85 115.64 124.07 1g17 s THR 61 Ca -0.04 0.62 0.08 0.00 0.31 0.00 0.00 61.69 62.65 1g17 s THR 61 Cb -0.03 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1g17 s THR 61 CO 0.04 0.15 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.42 1g17 s VAL 62 N 2.08 3.63 -0.26 3.82 1.01 0.13 -4.92 120.40 125.89 1g17 s VAL 62 Ca 0.16 -1.51 -0.05 0.00 0.00 0.00 0.00 61.98 60.58 1g17 s VAL 62 Cb -0.16 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.39 1g17 s VAL 62 CO 0.10 -0.15 0.01 1.51 0.00 0.00 0.00 175.10 176.57 1g17 s ASP 63 N -3.03 4.67 -0.62 3.32 -4.77 -1.26 0.12 116.67 115.11 1g17 s ASP 63 Ca 0.28 -0.61 -0.12 0.00 -3.30 0.00 0.00 52.55 48.79 1g17 s ASP 63 Cb -0.09 -1.79 0.16 0.00 -1.09 0.00 0.00 42.92 40.11 1g17 s ASP 63 CO 0.18 -0.11 0.53 -0.63 0.70 0.00 0.00 175.17 175.84 1g17 s ILE 64 N 1.46 4.88 -1.02 2.11 1.01 0.39 -4.67 121.20 125.37 1g17 s ILE 64 Ca 0.03 -2.03 -0.15 0.00 0.00 0.00 0.00 60.65 58.49 1g17 s ILE 64 Cb -0.16 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.20 1g17 s ILE 64 CO -0.01 -0.89 0.71 0.59 0.00 0.00 0.00 174.94 175.34 1g17 n ASN 65 N 4.58 -5.34 0.00 3.58 3.02 -1.26 -1.42 115.26 118.42 1g17 n ASN 65 Ca -0.02 -0.93 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 1g17 n ASN 65 Cb 0.42 -2.88 0.00 0.00 -0.61 0.00 0.00 39.78 36.71 1g17 n ASN 65 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g17 n GLY 66 N -1.76 2.01 3.67 7.41 0.00 -1.26 -4.99 105.19 110.27 1g17 n GLY 66 Ca -0.14 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 1g17 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g17 s LYS 67 N 0.00 4.23 -0.40 1.61 -0.14 -0.51 -4.99 119.74 119.54 1g17 s LYS 67 Ca 0.00 2.01 -0.23 0.00 -1.36 0.00 0.00 55.97 56.39 1g17 s LYS 67 Cb 0.00 -3.79 0.01 0.00 -1.68 0.00 0.00 37.83 32.38 1g17 s LYS 67 CO 0.00 -0.72 0.77 0.15 -0.76 0.00 0.00 175.35 174.78 1g17 s LYS 68 N 3.33 3.62 -0.05 1.68 -0.14 -1.26 0.15 119.74 127.06 1g17 s LYS 68 Ca 0.66 0.13 0.02 0.00 -1.36 0.00 0.00 55.97 55.42 1g17 s LYS 68 Cb -0.30 -3.86 -0.03 0.00 -1.68 0.00 0.00 37.83 31.96 1g17 s LYS 68 CO 0.25 -0.94 -0.09 0.08 -0.76 0.00 0.00 175.35 173.89 1g17 s VAL 69 N 3.13 3.47 -0.21 3.17 1.01 0.33 -4.03 120.40 127.26 1g17 s VAL 69 Ca 0.30 -0.62 -0.14 0.00 0.00 0.00 0.00 61.98 61.51 1g17 s VAL 69 Cb -0.13 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 1g17 s VAL 69 CO 0.19 0.56 0.33 -0.75 0.00 0.00 0.00 175.10 175.42 1g17 s LYS 70 N -0.90 4.15 -0.25 2.72 2.20 -0.76 0.17 119.74 127.06 1g17 s LYS 70 Ca 0.13 0.06 -0.08 0.00 -0.36 0.00 0.00 55.97 55.72 1g17 s LYS 70 Cb -0.11 -3.53 -0.03 0.00 -1.51 0.00 0.00 37.83 32.64 1g17 s LYS 70 CO 0.02 0.00 0.09 -0.51 -0.36 0.00 0.00 175.35 174.59 1g17 s LEU 71 N 1.21 3.59 -0.53 5.43 1.43 -0.03 -1.28 118.68 128.49 1g17 s LEU 71 Ca 0.16 -0.14 -0.16 0.00 -1.03 0.00 0.00 54.13 52.96 1g17 s LEU 71 Cb -0.14 -1.96 0.12 0.00 0.03 0.00 0.00 46.19 44.23 1g17 s LEU 71 CO 0.07 -0.01 0.51 -1.10 0.23 0.00 0.00 176.35 176.04 1g17 s GLN 72 N 1.49 3.00 -0.21 1.70 -0.21 -0.51 -1.85 119.66 123.07 1g17 s GLN 72 Ca 0.06 -1.60 -0.22 0.00 0.02 0.00 0.00 55.36 53.62 1g17 s GLN 72 Cb -0.15 -4.27 -0.02 0.00 1.00 0.00 0.00 33.01 29.57 1g17 s GLN 72 CO 0.05 -1.30 0.69 0.42 -2.12 0.00 0.00 175.29 173.02 1g17 s ILE 73 N 1.74 4.97 -0.39 1.08 -1.09 0.17 -1.50 121.20 126.19 1g17 s ILE 73 Ca 0.04 1.30 -0.10 0.00 -2.23 0.00 0.00 60.65 59.66 1g17 s ILE 73 Cb -0.28 -4.00 0.05 0.00 -1.58 0.00 0.00 42.46 36.65 1g17 s ILE 73 CO 0.04 0.06 0.21 0.26 -1.23 0.00 0.00 174.94 174.29 1g17 s TRP 74 N 2.14 3.28 -0.40 3.97 0.52 0.14 -0.70 118.94 127.90 1g17 s TRP 74 Ca 0.31 -1.26 -0.23 0.00 0.02 0.00 0.00 56.10 54.94 1g17 s TRP 74 Cb -0.16 -2.63 0.02 0.00 -1.15 0.00 0.00 33.47 29.55 1g17 s TRP 74 CO 0.10 -0.74 0.76 0.34 0.02 0.00 0.00 176.95 177.43 1g17 s ASP 75 N 1.77 6.47 0.38 2.95 3.68 -0.23 -1.54 116.67 130.15 1g17 s ASP 75 Ca 0.02 0.11 0.01 0.00 2.13 0.00 0.00 52.55 54.82 1g17 s ASP 75 Cb -0.21 -2.38 -0.02 0.00 -1.45 0.00 0.00 42.92 38.86 1g17 s ASP 75 CO 0.04 -0.80 0.58 0.42 0.13 0.00 0.00 175.17 175.54 1g17 s THR 76 N 3.13 4.56 0.03 1.71 -4.23 -1.15 0.41 115.64 120.11 1g17 s THR 76 Ca 0.30 -0.57 -0.26 0.00 -1.18 0.00 0.00 61.69 59.98 1g17 s THR 76 Cb -0.13 -3.66 -0.05 0.00 1.34 0.00 0.00 72.50 70.00 1g17 s THR 76 CO 0.19 -0.41 0.79 0.00 -0.54 0.00 0.00 174.62 174.65 1g17 s ALA 77 N -2.37 3.34 -0.13 3.99 0.00 -0.85 -4.90 121.76 120.83 1g17 s ALA 77 Ca 0.43 0.31 0.15 0.00 0.00 0.00 0.00 51.96 52.85 1g17 s ALA 77 Cb -0.10 -3.04 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 1g17 s ALA 77 CO 0.36 0.01 1.25 0.78 0.00 0.00 0.00 175.76 178.16 1g17 h GLY 78 N 5.92 0.00 -4.69 0.00 0.00 -1.82 -3.42 103.07 99.06 1g17 h GLY 78 Ca -0.43 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.32 1g17 h GLY 78 CO 0.72 0.00 0.70 -1.06 0.00 0.00 0.00 176.54 176.90 1g17 n GLN 79 N -3.13 2.16 -0.31 4.80 6.02 -1.26 -3.74 117.38 121.92 1g17 n GLN 79 Ca -0.01 0.77 0.11 0.00 -0.01 0.00 0.00 57.00 57.86 1g17 n GLN 79 Cb 0.77 -2.48 0.28 0.00 1.02 0.00 0.00 30.24 29.83 1g17 n GLN 79 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1g17 h GLU 80 N 4.80 0.55 0.00 -1.09 4.22 -2.00 -2.04 114.58 119.01 1g17 h GLU 80 Ca -0.45 -0.03 -0.08 0.00 0.08 0.00 0.00 59.36 58.88 1g17 h GLU 80 Cb 1.26 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1g17 h GLU 80 CO 0.80 0.36 -0.37 0.07 -2.18 0.00 0.00 179.01 177.69 1g17 h ARG 81 N 0.56 0.00 -0.50 1.92 0.11 -1.98 -2.94 114.38 111.55 1g17 h ARG 81 Ca 0.53 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.61 1g17 h ARG 81 Cb 0.87 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.95 1g17 h ARG 81 CO -0.43 0.37 0.00 1.19 0.10 0.00 0.00 179.97 181.20 1g17 n PHE 82 N -4.10 0.66 1.66 4.08 0.99 -0.79 -4.36 117.46 115.61 1g17 n PHE 82 Ca -0.02 -0.33 0.15 0.00 -0.00 0.00 0.00 57.45 57.25 1g17 n PHE 82 Cb 0.41 0.00 0.67 0.00 -1.00 0.00 0.00 39.48 39.55 1g17 n PHE 82 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 1g17 n ARG 83 N 1.13 1.42 0.02 -1.08 1.74 -1.07 -3.49 116.66 115.33 1g17 n ARG 83 Ca 0.19 -0.63 -0.15 0.00 -0.77 0.00 0.00 57.85 56.49 1g17 n ARG 83 Cb 0.48 -1.49 -0.14 0.00 -1.02 0.00 0.00 32.46 30.30 1g17 n ARG 83 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1g17 h THR 84 N 1.53 0.90 0.00 0.55 1.35 -1.80 -3.15 112.91 112.29 1g17 h THR 84 Ca 0.00 -2.63 -0.02 0.00 -0.55 0.00 0.00 66.41 63.21 1g17 h THR 84 Cb 0.33 2.57 -0.00 0.00 -1.73 0.00 0.00 68.15 69.32 1g17 h THR 84 CO 0.00 0.74 -0.10 0.40 -0.25 0.00 0.00 175.52 176.31 1g17 h ILE 85 N 0.05 1.02 0.21 6.82 5.03 -1.87 -3.20 117.51 125.56 1g17 h ILE 85 Ca -0.31 -0.36 -0.01 0.00 -0.12 0.00 0.00 64.86 64.06 1g17 h ILE 85 Cb 2.02 1.20 0.00 0.00 -3.03 0.00 0.00 36.82 37.00 1g17 h ILE 85 CO 0.11 0.10 -0.10 0.71 -0.68 0.00 0.00 178.15 178.29 1g17 h THR 86 N 0.00 0.03 -0.99 -0.27 1.35 -1.65 -3.31 112.91 108.06 1g17 h THR 86 Ca -0.00 -0.81 0.29 0.00 -0.55 0.00 0.00 66.41 65.34 1g17 h THR 86 Cb 0.19 0.04 -0.04 0.00 -1.73 0.00 0.00 68.15 66.61 1g17 h THR 86 CO 0.01 0.01 1.11 0.71 -0.25 0.00 0.00 175.52 177.11 1g17 h THR 87 N -1.07 0.06 0.00 6.82 1.35 -1.54 1.86 112.91 120.39 1g17 h THR 87 Ca -0.03 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.77 1g17 h THR 87 Cb 0.23 0.11 -0.01 0.00 -1.73 0.00 0.00 68.15 66.75 1g17 h THR 87 CO 0.05 0.00 -0.28 0.00 -0.25 0.00 0.00 175.52 175.03 1g17 h ALA 88 N 0.71 1.05 0.00 6.62 0.00 -1.65 -2.88 119.26 123.12 1g17 h ALA 88 Ca 0.47 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1g17 h ALA 88 Cb 2.68 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 20.43 1g17 h ALA 88 CO -0.00 0.36 -0.35 0.66 0.00 0.00 0.00 179.25 179.91 1g17 n TYR 89 N -3.51 0.00 0.25 0.00 4.02 0.63 -4.30 117.16 114.26 1g17 n TYR 89 Ca -0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.73 1g17 n TYR 89 Cb 0.44 -0.32 -0.08 0.00 -0.02 0.00 0.00 39.34 39.36 1g17 n TYR 89 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 176.86 177.73 1g17 h TYR 90 N 0.00 -0.92 -2.50 -0.72 -1.99 -1.49 -3.37 116.97 105.98 1g17 h TYR 90 Ca 0.00 0.00 -0.54 0.00 2.00 0.00 0.00 58.73 60.19 1g17 h TYR 90 Cb 0.50 0.35 0.05 0.00 2.00 0.00 0.00 36.73 39.63 1g17 h TYR 90 CO 0.00 -0.50 1.00 -2.13 -0.00 0.00 0.00 178.16 176.53 1g17 n ARG 91 N -5.46 2.63 0.00 4.88 0.00 -0.90 -1.57 116.66 116.24 1g17 n ARG 91 Ca -0.10 0.95 0.00 0.00 -0.00 0.00 0.00 57.85 58.70 1g17 n ARG 91 Cb 0.36 -2.80 0.00 0.00 0.00 0.00 0.00 32.46 30.02 1g17 n ARG 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1g17 n GLY 92 N 3.95 0.62 3.73 5.14 0.00 -1.26 -5.00 105.19 112.38 1g17 n GLY 92 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1g17 n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g17 s ALA 93 N -2.14 3.26 -0.38 4.61 0.00 -0.61 -4.80 121.76 121.70 1g17 s ALA 93 Ca 0.00 0.57 0.23 0.00 0.00 0.00 0.00 51.96 52.76 1g17 s ALA 93 Cb 0.00 -3.26 0.08 0.00 0.00 0.00 0.00 23.12 19.94 1g17 s ALA 93 CO 0.00 -0.00 1.09 -1.33 0.00 0.00 0.00 175.76 175.52 1g17 n MET 94 N 2.67 0.48 -3.75 0.00 2.81 0.29 -4.58 117.12 115.05 1g17 n MET 94 Ca 0.02 0.09 -0.13 0.00 -1.81 0.00 0.00 57.70 55.87 1g17 n MET 94 Cb 0.49 -1.75 -0.11 0.00 -0.71 0.00 0.00 33.22 31.14 1g17 n MET 94 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1g17 s GLY 95 N -4.09 -0.23 -0.08 3.03 0.00 -0.78 -2.09 107.32 103.08 1g17 s GLY 95 Ca 0.02 0.96 0.00 0.00 0.00 0.00 0.00 44.72 45.70 1g17 s GLY 95 CO 0.78 0.91 -0.06 -0.42 0.00 0.00 0.00 173.10 174.31 1g17 s ILE 96 N 0.42 0.79 -0.27 0.90 1.01 -0.14 -0.80 121.20 123.11 1g17 s ILE 96 Ca -0.02 -0.19 -0.08 0.00 0.00 0.00 0.00 60.65 60.36 1g17 s ILE 96 Cb -0.04 -0.82 -0.02 0.00 0.01 0.00 0.00 42.46 41.60 1g17 s ILE 96 CO -0.02 0.31 0.08 -0.63 0.00 0.00 0.00 174.94 174.68 1g17 s ILE 97 N 1.39 4.28 -0.28 2.92 1.01 0.58 -1.86 121.20 129.24 1g17 s ILE 97 Ca -0.02 -0.31 -0.11 0.00 0.00 0.00 0.00 60.65 60.20 1g17 s ILE 97 Cb -0.13 -3.07 -0.05 0.00 0.01 0.00 0.00 42.46 39.22 1g17 s ILE 97 CO -0.03 0.25 0.19 -0.76 0.00 0.00 0.00 174.94 174.58 1g17 s LEU 98 N 1.59 4.03 -0.05 2.97 1.02 0.01 -0.96 118.68 127.28 1g17 s LEU 98 Ca 0.05 0.00 0.04 0.00 0.02 0.00 0.00 54.13 54.25 1g17 s LEU 98 Cb -0.16 -2.12 -0.02 0.00 0.02 0.00 0.00 46.19 43.91 1g17 s LEU 98 CO 0.04 -0.04 -0.16 -0.69 0.02 0.00 0.00 176.35 175.52 1g17 s VAL 99 N 1.68 2.87 0.31 -1.59 1.01 -0.24 -0.53 120.40 123.91 1g17 s VAL 99 Ca 0.07 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.29 1g17 s VAL 99 Cb -0.16 -2.11 -0.06 0.00 0.00 0.00 0.00 36.38 34.06 1g17 s VAL 99 CO 0.10 0.58 0.08 -0.72 0.00 0.00 0.00 175.10 175.14 1g17 s TYR 100 N -0.60 1.82 -0.32 5.22 1.13 -0.45 -4.13 117.35 120.01 1g17 s TYR 100 Ca 0.09 -1.06 -0.07 0.00 -1.41 0.00 0.00 57.07 54.62 1g17 s TYR 100 Cb -0.11 -1.16 0.02 0.00 -1.10 0.00 0.00 41.96 39.62 1g17 s TYR 100 CO 0.01 -0.12 0.11 0.34 -2.51 0.00 0.00 175.55 173.37 1g17 s ASP 101 N -3.45 5.29 0.00 -0.18 -1.08 -1.26 -1.45 116.67 114.54 1g17 s ASP 101 Ca 0.36 -0.92 0.01 0.00 -0.52 0.00 0.00 52.55 51.48 1g17 s ASP 101 Cb 0.08 -1.90 0.05 0.00 -1.46 0.00 0.00 42.92 39.69 1g17 s ASP 101 CO 0.15 -0.27 1.00 2.30 0.52 0.00 0.00 175.17 178.86 1g17 n ILE 102 N 4.86 1.78 1.04 4.11 -5.35 -0.93 -0.10 119.36 124.77 1g17 n ILE 102 Ca -0.13 0.45 0.12 0.00 -0.27 0.00 0.00 62.75 62.91 1g17 n ILE 102 Cb 0.46 -1.43 0.08 0.00 -1.74 0.00 0.00 39.64 37.02 1g17 n ILE 102 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1g17 n THR 103 N -1.46 0.00 -3.76 7.28 -2.24 -1.26 0.02 114.28 112.85 1g17 n THR 103 Ca 0.00 -0.33 -0.30 0.00 -2.27 0.00 0.00 64.05 61.15 1g17 n THR 103 Cb 0.01 1.25 -0.15 0.00 -2.10 0.00 0.00 70.33 69.34 1g17 n THR 103 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1g17 s ASP 104 N -2.30 4.06 0.38 3.42 -1.08 0.86 -4.63 116.67 117.38 1g17 s ASP 104 Ca 0.23 -1.88 0.13 0.00 -0.52 0.00 0.00 52.55 50.51 1g17 s ASP 104 Cb 0.19 -0.99 0.94 0.00 -1.46 0.00 0.00 42.92 41.60 1g17 s ASP 104 CO 0.47 -0.39 1.86 -0.08 0.52 0.00 0.00 175.17 177.56 1g17 h GLU 105 N 7.79 0.54 -0.82 4.34 4.81 -1.86 -1.83 114.58 127.56 1g17 h GLU 105 Ca -0.10 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1g17 h GLU 105 Cb 1.00 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.22 1g17 h GLU 105 CO 0.48 0.36 0.51 -0.09 -0.73 0.00 0.00 179.01 179.54 1g17 h ARG 106 N 0.56 1.09 0.00 1.92 9.65 -1.94 -1.67 114.38 124.00 1g17 h ARG 106 Ca 0.45 -0.09 -0.04 0.00 -1.10 0.00 0.00 59.98 59.21 1g17 h ARG 106 Cb 0.90 -0.24 -0.01 0.00 -1.39 0.00 0.00 29.97 29.24 1g17 h ARG 106 CO -0.20 0.75 -0.18 1.79 2.80 0.00 0.00 179.97 184.94 1g17 h THR 107 N 1.11 0.69 0.04 0.20 1.35 -1.64 -1.94 112.91 112.72 1g17 h THR 107 Ca 0.30 -0.75 -0.10 0.00 -0.55 0.00 0.00 66.41 65.30 1g17 h THR 107 Cb -0.08 1.47 0.01 0.00 -1.73 0.00 0.00 68.15 67.82 1g17 h THR 107 CO -0.06 0.18 -0.42 0.15 -0.25 0.00 0.00 175.52 175.12 1g17 h PHE 108 N 0.00 0.34 -0.37 4.73 3.57 -1.40 -3.25 116.94 120.57 1g17 h PHE 108 Ca -0.00 -0.22 -0.01 0.00 3.53 0.00 0.00 57.97 61.27 1g17 h PHE 108 Cb 0.45 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 1g17 h PHE 108 CO 0.00 1.09 0.18 1.15 -2.23 0.00 0.00 178.31 178.51 1g17 h THR 109 N -0.51 1.12 0.00 4.41 2.02 -1.19 -1.51 112.91 117.25 1g17 h THR 109 Ca -0.06 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.78 1g17 h THR 109 Cb 1.24 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 1g17 h THR 109 CO 0.08 0.14 0.00 0.59 0.37 0.00 0.00 175.52 176.70 1g17 n ASN 110 N -4.43 0.30 -0.18 4.18 3.02 -0.74 -3.26 115.26 114.15 1g17 n ASN 110 Ca 0.02 0.57 0.02 0.00 -0.03 0.00 0.00 54.58 55.17 1g17 n ASN 110 Cb 0.11 -0.64 0.28 0.00 -0.61 0.00 0.00 39.78 38.93 1g17 n ASN 110 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1g17 h ILE 111 N 0.00 1.15 -0.89 2.41 1.08 -1.30 -1.98 117.51 117.99 1g17 h ILE 111 Ca 0.00 -0.32 0.04 0.00 -0.39 0.00 0.00 64.86 64.19 1g17 h ILE 111 Cb 0.31 0.15 -0.05 0.00 -3.07 0.00 0.00 36.82 34.15 1g17 h ILE 111 CO 0.00 0.17 0.57 0.11 -0.69 0.00 0.00 178.15 178.31 1g17 h LYS 112 N 0.92 1.06 -0.32 2.37 1.57 -1.75 0.31 116.57 120.74 1g17 h LYS 112 Ca 0.27 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.85 1g17 h LYS 112 Cb -0.05 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.01 1g17 h LYS 112 CO -0.07 0.70 -0.35 1.96 -0.57 0.00 0.00 179.45 181.13 1g17 h GLN 113 N 1.10 0.72 -0.61 3.15 1.08 -1.61 -2.19 115.11 116.76 1g17 h GLN 113 Ca 0.36 -0.35 -0.03 0.00 -1.45 0.00 0.00 58.65 57.18 1g17 h GLN 113 Cb 0.04 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.44 1g17 h GLN 113 CO -0.13 0.96 0.27 -1.49 -0.95 0.00 0.00 178.83 177.50 1g17 h TRP 114 N 0.60 0.90 -0.42 2.96 4.06 -0.69 -1.71 115.95 121.65 1g17 h TRP 114 Ca 0.06 -0.06 0.06 0.00 2.06 0.00 0.00 58.89 61.01 1g17 h TRP 114 Cb 0.88 -0.27 -0.05 0.00 -1.00 0.00 0.00 29.16 28.71 1g17 h TRP 114 CO 0.04 0.70 0.12 0.35 -3.56 0.00 0.00 178.44 176.09 1g17 h PHE 115 N 0.84 0.21 0.03 0.49 3.57 -0.08 -0.94 116.94 121.06 1g17 h PHE 115 Ca 0.21 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1g17 h PHE 115 Cb 0.16 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 1g17 h PHE 115 CO 0.01 0.06 -0.03 0.87 -2.23 0.00 0.00 178.31 176.99 1g17 h LYS 116 N 0.27 -0.06 -0.97 1.11 1.79 -1.10 -2.12 116.57 115.49 1g17 h LYS 116 Ca 0.20 0.00 0.14 0.00 -2.18 0.00 0.00 60.65 58.82 1g17 h LYS 116 Cb 0.21 0.01 -0.09 0.00 -1.58 0.00 0.00 32.23 30.78 1g17 h LYS 116 CO -0.23 -0.04 0.59 1.15 -1.08 0.00 0.00 179.45 179.84 1g17 h THR 117 N -0.06 0.83 -0.40 -0.16 2.02 -0.87 -1.76 112.91 112.51 1g17 h THR 117 Ca 0.00 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 1g17 h THR 117 Cb 0.06 -0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.34 1g17 h THR 117 CO -0.01 0.16 0.14 0.58 0.37 0.00 0.00 175.52 176.76 1g17 h VAL 118 N 0.86 1.21 0.00 3.16 2.07 -0.66 -2.81 116.25 120.08 1g17 h VAL 118 Ca 0.51 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1g17 h VAL 118 Cb 0.63 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1g17 h VAL 118 CO -0.31 0.24 -0.16 0.78 0.02 0.00 0.00 177.57 178.14 1g17 h ASN 119 N 0.51 0.00 1.83 0.57 2.35 -0.70 0.64 115.58 120.77 1g17 h ASN 119 Ca 0.13 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 1g17 h ASN 119 Cb 0.24 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 1g17 h ASN 119 CO -0.01 0.16 -0.17 -0.33 -1.65 0.00 0.00 177.43 175.43 1g17 h GLU 120 N 0.00 0.00 0.00 0.81 5.08 -1.18 -3.39 114.58 115.90 1g17 h GLU 120 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1g17 h GLU 120 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1g17 h GLU 120 CO 0.02 0.05 -0.80 0.72 -1.00 0.00 0.00 179.01 178.00 1g17 n HIS 121 N -3.07 0.00 -1.81 4.33 8.25 -0.86 -5.08 115.22 116.99 1g17 n HIS 121 Ca 0.03 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.20 1g17 n HIS 121 Cb 0.56 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.75 1g17 n HIS 121 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1g17 s ALA 122 N -1.65 2.53 1.10 -1.41 0.00 0.22 -2.12 121.76 120.42 1g17 s ALA 122 Ca 0.00 -0.54 -0.11 0.00 0.00 0.00 0.00 51.96 51.31 1g17 s ALA 122 Cb 0.00 -3.00 0.16 0.00 0.00 0.00 0.00 23.12 20.28 1g17 s ALA 122 CO 0.00 -1.68 0.66 0.09 0.00 0.00 0.00 175.76 174.83 1g17 n ASN 123 N -3.34 -1.12 0.01 0.00 5.03 -1.26 -4.89 115.26 109.69 1g17 n ASN 123 Ca 0.07 -0.99 -0.22 0.00 0.87 0.00 0.00 54.58 54.31 1g17 n ASN 123 Cb 0.60 -0.57 -0.14 0.00 -1.02 0.00 0.00 39.78 38.65 1g17 n ASN 123 CO 0.00 0.00 0.00 0.44 -1.83 0.00 0.00 177.26 175.87 1g17 h ASP 124 N -1.68 0.39 0.00 6.41 3.32 -1.97 -3.34 116.42 119.55 1g17 h ASP 124 Ca -0.23 -0.86 0.00 0.00 0.02 0.00 0.00 57.03 55.95 1g17 h ASP 124 Cb 0.69 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1g17 h ASP 124 CO 0.16 1.71 0.00 -0.62 -1.72 0.00 0.00 179.24 178.77 1g17 n GLU 125 N -3.79 1.00 -2.12 3.56 4.71 -1.26 -4.88 120.64 117.87 1g17 n GLU 125 Ca -0.28 0.00 -0.42 0.00 -0.01 0.00 0.00 57.16 56.45 1g17 n GLU 125 Cb 0.95 -1.08 -0.03 0.00 -1.01 0.00 0.00 31.44 30.27 1g17 n GLU 125 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1g17 s ALA 126 N -2.00 3.63 -0.24 0.62 0.00 -1.26 -4.95 121.76 117.57 1g17 s ALA 126 Ca 0.07 1.18 -0.18 0.00 0.00 0.00 0.00 51.96 53.03 1g17 s ALA 126 Cb 0.03 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 1g17 s ALA 126 CO 0.06 -0.65 0.52 -1.14 0.00 0.00 0.00 175.76 174.55 1g17 s GLN 127 N 1.03 4.12 0.37 0.00 2.00 -0.89 -4.94 119.66 121.35 1g17 s GLN 127 Ca 0.65 0.37 0.04 0.00 -2.00 0.00 0.00 55.36 54.43 1g17 s GLN 127 Cb -0.38 -3.61 -0.01 0.00 0.80 0.00 0.00 33.01 29.80 1g17 s GLN 127 CO 0.31 -0.27 0.53 -0.51 -0.50 0.00 0.00 175.29 174.85 1g17 s LEU 128 N 2.04 3.88 -0.26 3.68 1.02 -1.26 -0.97 118.68 126.82 1g17 s LEU 128 Ca 0.23 -0.02 -0.16 0.00 0.02 0.00 0.00 54.13 54.20 1g17 s LEU 128 Cb -0.15 -2.89 0.08 0.00 0.02 0.00 0.00 46.19 43.24 1g17 s LEU 128 CO 0.09 -0.50 0.65 -0.22 0.02 0.00 0.00 176.35 176.39 1g17 s LEU 129 N -4.29 -0.78 -0.20 1.79 2.96 -0.78 -4.37 118.68 113.02 1g17 s LEU 129 Ca 0.46 1.41 -0.10 0.00 -0.22 0.00 0.00 54.13 55.68 1g17 s LEU 129 Cb -0.10 2.23 -0.05 0.00 0.50 0.00 0.00 46.19 48.78 1g17 s LEU 129 CO 0.33 -0.23 0.13 -0.22 -1.32 0.00 0.00 176.35 175.04 1g17 s LEU 130 N 1.44 4.19 -0.12 -0.68 2.96 -0.41 -0.81 118.68 125.24 1g17 s LEU 130 Ca -0.09 0.23 0.02 0.00 -0.22 0.00 0.00 54.13 54.06 1g17 s LEU 130 Cb -0.05 -2.08 0.02 0.00 0.50 0.00 0.00 46.19 44.57 1g17 s LEU 130 CO -0.16 0.18 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.20 1g17 s VAL 131 N 0.34 1.61 -0.44 1.68 1.01 0.30 -1.92 120.40 122.98 1g17 s VAL 131 Ca 0.08 -0.70 -0.16 0.00 0.00 0.00 0.00 61.98 61.20 1g17 s VAL 131 Cb -0.11 -1.47 0.05 0.00 0.00 0.00 0.00 36.38 34.85 1g17 s VAL 131 CO -0.02 0.46 0.37 -0.83 0.00 0.00 0.00 175.10 175.08 1g17 s GLY 132 N 1.05 2.01 0.25 4.51 0.00 -0.57 -1.34 107.32 113.24 1g17 s GLY 132 Ca -0.04 -1.88 0.01 0.00 0.00 0.00 0.00 44.72 42.81 1g17 s GLY 132 CO -0.03 1.02 0.43 0.21 0.00 0.00 0.00 173.10 174.73 1g17 s ASN 133 N 2.14 6.34 0.00 1.64 2.47 -0.53 -0.24 114.94 126.76 1g17 s ASN 133 Ca 0.06 0.33 0.00 0.00 0.42 0.00 0.00 52.86 53.67 1g17 s ASN 133 Cb -0.21 -1.98 0.00 0.00 -1.45 0.00 0.00 41.25 37.61 1g17 s ASN 133 CO 0.09 -0.13 0.00 0.29 -3.72 0.00 0.00 177.10 173.63 1g17 n LYS 134 N -1.18 0.00 0.00 0.43 5.02 0.34 -2.19 118.16 120.57 1g17 n LYS 134 Ca -0.06 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.26 1g17 n LYS 134 Cb 0.55 -2.70 0.15 0.00 -0.02 0.00 0.00 35.03 33.02 1g17 n LYS 134 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1g17 n SER 135 N 1.58 0.00 0.03 4.39 3.41 0.09 -1.85 113.62 121.27 1g17 n SER 135 Ca 0.00 0.26 0.14 0.00 -0.26 0.00 0.00 58.87 59.01 1g17 n SER 135 Cb 0.47 -0.33 0.53 0.00 -0.26 0.00 0.00 64.21 64.62 1g17 n SER 135 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1g17 n ASP 136 N -1.33 0.28 -4.69 4.04 5.75 -1.26 -4.86 116.55 114.47 1g17 n ASP 136 Ca 0.03 0.49 -0.40 0.00 -0.01 0.00 0.00 54.79 54.89 1g17 n ASP 136 Cb 0.05 -0.55 -0.05 0.00 -1.03 0.00 0.00 41.12 39.55 1g17 n ASP 136 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1g17 s MET 137 N -3.03 4.34 0.38 0.11 -1.94 -0.77 -4.94 119.30 113.45 1g17 s MET 137 Ca 0.13 0.81 0.28 0.00 -1.71 0.00 0.00 55.69 55.19 1g17 s MET 137 Cb 0.17 -3.51 1.13 0.00 2.01 0.00 0.00 34.83 34.63 1g17 s MET 137 CO 0.56 -0.10 1.83 0.93 -0.01 0.00 0.00 175.02 178.23 1g17 h GLU 138 N 7.08 0.00 -0.17 2.03 5.08 -1.90 -2.61 114.58 124.08 1g17 h GLU 138 Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1g17 h GLU 138 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1g17 h GLU 138 CO 0.78 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 179.04 1g17 n THR 139 N -2.61 0.08 -1.52 1.13 -2.24 -1.26 -4.93 114.28 102.93 1g17 n THR 139 Ca 0.02 -0.07 -0.44 0.00 -2.27 0.00 0.00 64.05 61.30 1g17 n THR 139 Cb 0.27 -0.04 -0.01 0.00 -2.10 0.00 0.00 70.33 68.46 1g17 n THR 139 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1g17 n ARG 140 N -0.31 0.90 0.00 -0.78 0.63 -0.99 -4.69 116.66 111.42 1g17 n ARG 140 Ca 0.02 0.32 0.00 0.00 -0.92 0.00 0.00 57.85 57.26 1g17 n ARG 140 Cb 0.08 -1.64 0.00 0.00 0.45 0.00 0.00 32.46 31.34 1g17 n ARG 140 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1g17 n VAL 141 N -0.29 0.00 -3.87 5.15 0.31 0.10 -4.94 118.33 114.79 1g17 n VAL 141 Ca 0.11 -0.11 -0.36 0.00 -0.01 0.00 0.00 64.34 63.98 1g17 n VAL 141 Cb 0.35 0.57 -0.13 0.00 -0.91 0.00 0.00 33.84 33.72 1g17 n VAL 141 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1g17 s VAL 142 N -0.85 3.90 0.61 2.52 1.01 -0.55 -4.95 120.40 122.09 1g17 s VAL 142 Ca 0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 61.98 61.56 1g17 s VAL 142 Cb 0.00 -2.80 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1g17 s VAL 142 CO 0.00 0.39 1.02 0.42 0.00 0.00 0.00 175.10 176.93 1g17 s THR 143 N 1.45 4.71 0.23 3.92 -4.23 -1.26 -4.89 115.64 115.58 1g17 s THR 143 Ca 0.05 0.85 -0.08 0.00 -1.18 0.00 0.00 61.69 61.34 1g17 s THR 143 Cb -0.15 -3.87 0.21 0.00 1.34 0.00 0.00 72.50 70.04 1g17 s THR 143 CO 0.01 -1.14 1.89 0.00 -0.54 0.00 0.00 174.62 174.84 1g17 h ALA 144 N -0.30 1.15 -0.68 3.99 0.00 -1.99 -1.78 119.26 119.65 1g17 h ALA 144 Ca -0.44 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.37 1g17 h ALA 144 Cb 1.19 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1g17 h ALA 144 CO 0.62 0.58 0.37 -0.44 0.00 0.00 0.00 179.25 180.38 1g17 h ASP 145 N 1.23 0.83 -0.72 0.00 3.32 -1.99 -0.16 116.42 118.93 1g17 h ASP 145 Ca 0.33 -0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.28 1g17 h ASP 145 Cb -0.09 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.22 1g17 h ASP 145 CO -0.07 0.67 0.31 1.56 -1.72 0.00 0.00 179.24 179.99 1g17 h GLN 146 N 0.94 1.06 -0.41 3.56 4.20 -1.71 -0.24 115.11 122.51 1g17 h GLN 146 Ca 0.24 -0.18 -0.13 0.00 0.06 0.00 0.00 58.65 58.64 1g17 h GLN 146 Cb 0.02 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 1g17 h GLN 146 CO -0.04 0.86 -0.26 0.78 -0.67 0.00 0.00 178.83 179.50 1g17 h GLY 147 N 1.02 0.94 1.03 3.46 0.00 -0.89 -0.76 103.07 107.87 1g17 h GLY 147 Ca 0.24 -0.85 -0.06 0.00 0.00 0.00 0.00 47.33 46.67 1g17 h GLY 147 CO -0.02 0.77 0.19 0.83 0.00 0.00 0.00 176.54 178.30 1g17 h GLU 148 N 0.74 1.02 -0.43 4.80 5.08 -0.77 0.23 114.58 125.26 1g17 h GLU 148 Ca 0.09 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1g17 h GLU 148 Cb 0.81 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1g17 h GLU 148 CO 0.07 0.91 0.16 0.00 -1.00 0.00 0.00 179.01 179.14 1g17 h ALA 149 N 1.07 0.55 -0.72 3.43 0.00 -0.79 0.85 119.26 123.66 1g17 h ALA 149 Ca 0.21 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1g17 h ALA 149 Cb 0.32 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1g17 h ALA 149 CO -0.00 0.18 0.30 1.25 0.00 0.00 0.00 179.25 180.98 1g17 h LEU 150 N 0.54 0.97 -0.65 0.00 5.85 -0.90 -1.78 115.31 119.34 1g17 h LEU 150 Ca 0.14 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1g17 h LEU 150 Cb 0.22 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1g17 h LEU 150 CO -0.01 0.87 0.40 0.00 -0.34 0.00 0.00 178.44 179.36 1g17 h ALA 151 N 1.14 0.83 -0.46 1.25 0.00 -0.36 -1.18 119.26 120.49 1g17 h ALA 151 Ca 0.24 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1g17 h ALA 151 Cb 0.18 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1g17 h ALA 151 CO -0.02 0.30 0.03 0.87 0.00 0.00 0.00 179.25 180.43 1g17 h LYS 152 N 0.89 0.73 -0.17 0.00 1.57 -0.54 -0.09 116.57 118.95 1g17 h LYS 152 Ca 0.24 -0.17 -0.13 0.00 -1.87 0.00 0.00 60.65 58.71 1g17 h LYS 152 Cb -0.04 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 1g17 h LYS 152 CO -0.05 0.72 -0.45 1.49 -0.57 0.00 0.00 179.45 180.59 1g17 h GLU 153 N 0.69 0.41 0.00 3.15 4.81 -0.86 -3.05 114.58 119.74 1g17 h GLU 153 Ca 0.14 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 1g17 h GLU 153 Cb 0.38 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.76 1g17 h GLU 153 CO 0.01 0.78 -0.51 -0.07 -0.73 0.00 0.00 179.01 178.49 1g17 h LEU 154 N 0.34 0.00 0.00 1.64 3.38 -0.96 -3.48 115.31 116.22 1g17 h LEU 154 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1g17 h LEU 154 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1g17 h LEU 154 CO 0.08 0.09 0.00 0.61 0.09 0.00 0.00 178.44 179.31 1g17 n GLY 155 N 1.16 0.64 3.31 0.83 0.00 -0.10 -5.07 105.19 105.95 1g17 n GLY 155 Ca 0.01 -0.77 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 1g17 n GLY 155 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1g17 s ILE 156 N -2.00 1.61 0.87 -0.61 -4.36 -0.89 -5.04 121.20 110.77 1g17 s ILE 156 Ca 0.00 -1.99 -0.10 0.00 -0.26 0.00 0.00 60.65 58.29 1g17 s ILE 156 Cb 0.00 -1.84 0.12 0.00 1.25 0.00 0.00 42.46 41.98 1g17 s ILE 156 CO 0.00 -0.49 1.12 -2.16 0.24 0.00 0.00 174.94 173.65 1g17 s PRO 157 N -3.18 1.43 0.05 0.37 0.04 -1.26 -4.49 135.00 127.97 1g17 s PRO 157 Ca 0.17 1.35 0.02 0.00 0.04 0.00 0.00 61.00 62.58 1g17 s PRO 157 Cb -0.03 -1.79 -0.03 0.00 0.04 0.00 0.00 34.50 32.70 1g17 s PRO 157 CO 0.05 -2.28 -0.08 0.12 0.04 0.00 0.00 177.00 174.85 1g17 s PHE 158 N -2.75 0.73 -0.22 0.56 5.36 -1.26 -1.29 117.98 119.11 1g17 s PHE 158 Ca 0.65 -0.55 -0.27 0.00 -0.96 0.00 0.00 56.93 55.80 1g17 s PHE 158 Cb -0.20 -0.43 0.10 0.00 -0.34 0.00 0.00 43.02 42.14 1g17 s PHE 158 CO 0.57 -0.08 0.87 -1.50 -1.46 0.00 0.00 175.22 173.62 1g17 s ILE 159 N -1.66 0.00 0.01 3.12 2.07 -0.81 -4.97 121.20 118.97 1g17 s ILE 159 Ca -0.07 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.17 1g17 s ILE 159 Cb -0.08 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.47 1g17 s ILE 159 CO -0.00 0.00 0.11 -1.61 -1.91 0.00 0.00 174.94 171.53 1g17 s GLU 160 N -0.20 3.14 0.27 3.50 2.02 -1.26 -1.50 118.70 124.67 1g17 s GLU 160 Ca -0.01 -0.48 0.01 0.00 0.02 0.00 0.00 54.97 54.50 1g17 s GLU 160 Cb -0.03 -2.90 -0.03 0.00 0.10 0.00 0.00 34.13 31.27 1g17 s GLU 160 CO 0.00 0.64 0.27 -1.54 0.02 0.00 0.00 175.26 174.65 1g17 s SER 161 N -1.93 0.78 -0.26 -0.19 1.04 0.67 -4.64 113.70 109.17 1g17 s SER 161 Ca 0.26 -1.49 -0.01 0.00 0.48 0.00 0.00 55.95 55.18 1g17 s SER 161 Cb -0.12 0.50 0.13 0.00 0.10 0.00 0.00 66.02 66.64 1g17 s SER 161 CO 0.17 -1.02 0.34 -0.55 0.98 0.00 0.00 173.24 173.17 1g17 s SER 162 N -3.23 0.74 0.45 7.02 0.15 -0.62 -0.51 113.70 117.71 1g17 s SER 162 Ca 0.37 -0.18 0.22 0.00 0.70 0.00 0.00 55.95 57.05 1g17 s SER 162 Cb 0.04 0.88 1.09 0.00 -1.71 0.00 0.00 66.02 66.32 1g17 s SER 162 CO 0.19 -0.33 1.93 0.00 1.20 0.00 0.00 173.24 176.22 1g17 h ALA 163 N 8.21 1.25 0.17 5.45 0.00 -1.89 0.66 119.26 133.11 1g17 h ALA 163 Ca -0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1g17 h ALA 163 Cb 1.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1g17 h ALA 163 CO 0.29 0.28 -0.08 -0.22 0.00 0.00 0.00 179.25 179.52 1g17 h LYS 164 N 0.00 -0.23 -0.14 0.00 3.64 -1.94 -3.29 116.57 114.61 1g17 h LYS 164 Ca -0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1g17 h LYS 164 Cb 0.54 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1g17 h LYS 164 CO 0.03 0.18 0.00 0.09 -2.27 0.00 0.00 179.45 177.48 1g17 n ASN 165 N -4.93 1.57 -3.54 4.20 4.13 -1.22 -4.96 115.26 110.51 1g17 n ASN 165 Ca -0.07 -1.66 -0.24 0.00 1.68 0.00 0.00 54.58 54.28 1g17 n ASN 165 Cb 0.25 -0.09 0.05 0.00 -1.54 0.00 0.00 39.78 38.46 1g17 n ASN 165 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1g17 n ASP 166 N 0.25 -4.84 -4.33 6.41 2.03 0.12 -5.00 116.55 111.19 1g17 n ASP 166 Ca 0.16 -0.87 -0.34 0.00 0.52 0.00 0.00 54.79 54.27 1g17 n ASP 166 Cb 0.32 -4.14 -0.14 0.00 -0.72 0.00 0.00 41.12 36.44 1g17 n ASP 166 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1g17 s ASP 167 N -3.64 4.08 -1.06 1.67 1.01 -0.59 -4.61 116.67 113.52 1g17 s ASP 167 Ca 0.37 -0.37 0.00 0.00 0.71 0.00 0.00 52.55 53.26 1g17 s ASP 167 Cb -0.10 -1.66 0.00 0.00 1.01 0.00 0.00 42.92 42.18 1g17 s ASP 167 CO 0.81 0.08 0.00 0.59 0.21 0.00 0.00 175.17 176.86 1g17 n ASN 168 N 4.08 -5.62 0.06 0.27 3.02 -1.26 -1.59 115.26 114.22 1g17 n ASN 168 Ca -0.18 0.25 -0.13 0.00 -0.03 0.00 0.00 54.58 54.49 1g17 n ASN 168 Cb 0.52 -4.00 -0.09 0.00 -0.61 0.00 0.00 39.78 35.60 1g17 n ASN 168 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1g17 h VAL 169 N 0.00 1.03 -0.70 2.41 2.07 -1.85 -2.51 116.25 116.70 1g17 h VAL 169 Ca -0.20 -0.89 -0.06 0.00 0.82 0.00 0.00 66.70 66.37 1g17 h VAL 169 Cb 1.12 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 32.43 1g17 h VAL 169 CO 0.30 0.20 0.20 0.78 0.02 0.00 0.00 177.57 179.08 1g17 h ASN 170 N -0.62 1.02 -0.94 0.57 2.35 -1.92 -2.60 115.58 113.43 1g17 h ASN 170 Ca -0.02 -0.19 0.12 0.00 -0.55 0.00 0.00 56.30 55.66 1g17 h ASN 170 Cb 0.47 -0.27 -0.08 0.00 0.05 0.00 0.00 38.32 38.50 1g17 h ASN 170 CO 0.03 0.96 0.60 -0.33 -1.65 0.00 0.00 177.43 177.04 1g17 h GLU 171 N 1.04 0.86 -0.01 0.81 3.07 -1.95 0.17 114.58 118.57 1g17 h GLU 171 Ca 0.23 -0.05 0.03 0.00 -0.50 0.00 0.00 59.36 59.07 1g17 h GLU 171 Cb 0.32 -0.19 -0.05 0.00 -0.84 0.00 0.00 28.75 27.98 1g17 h GLU 171 CO -0.00 0.57 -0.27 0.82 -1.40 0.00 0.00 179.01 178.72 1g17 h ILE 172 N 0.88 0.38 -0.14 3.13 2.04 -1.04 -0.42 117.51 122.35 1g17 h ILE 172 Ca 0.46 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 66.10 1g17 h ILE 172 Cb 0.54 0.38 0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1g17 h ILE 172 CO -0.23 0.00 -0.80 -0.26 0.00 0.00 0.00 178.15 176.86 1g17 h PHE 173 N -0.41 1.06 -0.30 1.37 0.04 -1.39 -2.68 116.94 114.62 1g17 h PHE 173 Ca 0.07 -0.48 -0.03 0.00 2.80 0.00 0.00 57.97 60.34 1g17 h PHE 173 Cb 0.50 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.48 1g17 h PHE 173 CO -0.31 1.31 0.09 0.74 -0.60 0.00 0.00 178.31 179.54 1g17 h PHE 174 N 0.52 0.49 -0.51 -0.55 0.04 -0.59 -1.66 116.94 114.68 1g17 h PHE 174 Ca -0.06 -0.05 -0.05 0.00 2.80 0.00 0.00 57.97 60.61 1g17 h PHE 174 Cb 1.43 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 39.42 1g17 h PHE 174 CO 0.09 0.51 0.13 1.79 -0.60 0.00 0.00 178.31 180.22 1g17 h THR 175 N 0.33 1.24 -0.76 -1.55 1.35 -1.15 -0.79 112.91 111.58 1g17 h THR 175 Ca 0.10 -0.85 -0.02 0.00 -0.55 0.00 0.00 66.41 65.08 1g17 h THR 175 Cb 0.25 0.81 -0.04 0.00 -1.73 0.00 0.00 68.15 67.45 1g17 h THR 175 CO -0.00 0.31 0.40 0.25 -0.25 0.00 0.00 175.52 176.23 1g17 h LEU 176 N 0.71 0.96 -0.15 3.87 5.85 -1.39 -0.10 115.31 125.07 1g17 h LEU 176 Ca 0.16 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1g17 h LEU 176 Cb 0.33 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1g17 h LEU 176 CO 0.00 0.80 0.06 0.00 -0.34 0.00 0.00 178.44 178.96 1g17 h ALA 177 N 1.20 0.19 -0.79 1.25 0.00 -1.09 -1.02 119.26 119.00 1g17 h ALA 177 Ca 0.26 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1g17 h ALA 177 Cb 0.06 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 1g17 h ALA 177 CO -0.04 -0.21 0.47 0.87 0.00 0.00 0.00 179.25 180.34 1g17 h LYS 178 N 0.08 0.82 -0.28 0.00 1.57 -0.78 0.21 116.57 118.20 1g17 h LYS 178 Ca 0.05 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1g17 h LYS 178 Cb 0.18 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1g17 h LYS 178 CO -0.00 0.55 0.13 -0.07 -0.57 0.00 0.00 179.45 179.48 1g17 h LEU 179 N 0.85 0.37 -0.64 2.94 3.38 -0.74 0.10 115.31 121.57 1g17 h LEU 179 Ca 0.35 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 1g17 h LEU 179 Cb 0.20 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1g17 h LEU 179 CO -0.19 0.40 0.31 0.40 0.09 0.00 0.00 178.44 179.46 1g17 h ILE 180 N 0.31 1.22 -0.45 1.22 2.04 -0.55 -1.46 117.51 119.83 1g17 h ILE 180 Ca 0.09 -0.61 -0.04 0.00 1.00 0.00 0.00 64.86 65.30 1g17 h ILE 180 Cb 0.14 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 1g17 h ILE 180 CO -0.01 0.25 0.11 -0.61 0.00 0.00 0.00 178.15 177.89 1g17 h GLN 181 N 0.88 0.73 -0.74 2.37 5.75 -0.34 -0.44 115.11 123.32 1g17 h GLN 181 Ca 0.22 -0.18 0.06 0.00 -0.15 0.00 0.00 58.65 58.60 1g17 h GLN 181 Cb 0.11 -0.10 -0.05 0.00 1.07 0.00 0.00 27.48 28.52 1g17 h GLN 181 CO -0.03 0.72 0.49 0.93 -2.65 0.00 0.00 178.83 178.29 1g17 h GLU 182 N 0.60 0.79 -0.49 1.69 5.08 -0.58 -0.35 114.58 121.32 1g17 h GLU 182 Ca 0.14 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1g17 h GLU 182 Cb 0.32 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 1g17 h GLU 182 CO 0.00 0.52 0.07 -0.22 -1.00 0.00 0.00 179.01 178.38 1g17 h LYS 183 N 0.82 0.83 -0.02 2.33 3.11 -0.39 -2.50 116.57 120.74 1g17 h LYS 183 Ca 0.31 -0.23 0.01 0.00 -2.81 0.00 0.00 60.65 57.93 1g17 h LYS 183 Cb 0.20 -0.09 -0.00 0.00 -1.00 0.00 0.00 32.23 31.34 1g17 h LYS 183 CO -0.10 0.83 0.08 0.82 -2.81 0.00 0.00 179.45 178.28 1g17 h ILE 184 N 0.70 0.12 -2.77 2.00 1.08 0.56 -3.16 117.51 116.04 1g17 h ILE 184 Ca 0.15 0.00 -0.80 0.00 -0.39 0.00 0.00 64.86 63.82 1g17 h ILE 184 Cb 0.42 0.92 -0.26 0.00 -3.07 0.00 0.00 36.82 34.83 1g17 h ILE 184 CO 0.01 0.00 0.93 0.47 -0.69 0.00 0.00 178.15 178.88 1g17 n ASP 185 N -3.23 6.04 0.00 1.72 9.92 -0.94 -5.10 116.55 124.96 1g17 n ASP 185 Ca -0.02 -3.29 0.00 0.00 -0.53 0.00 0.00 54.79 50.95 1g17 n ASP 185 Cb 0.16 -1.33 0.00 0.00 -0.64 0.00 0.00 41.12 39.31 1g17 n ASP 185 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79