#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r17 s VAL 3 N 0.00 2.50 -0.14 1.47 1.01 -1.26 -3.35 120.40 120.63 2r17 s VAL 3 Ca 0.00 -1.67 -0.06 0.00 0.00 0.00 0.00 61.98 60.25 2r17 s VAL 3 Cb 0.00 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 2r17 s VAL 3 CO 0.00 0.08 0.06 -0.22 0.00 0.00 0.00 175.10 175.03 2r17 s LEU 4 N -2.13 3.89 -0.18 3.92 2.96 0.80 -4.25 118.68 123.69 2r17 s LEU 4 Ca 0.16 0.19 -0.00 0.00 -0.22 0.00 0.00 54.13 54.25 2r17 s LEU 4 Cb -0.10 -1.95 0.04 0.00 0.50 0.00 0.00 46.19 44.68 2r17 s LEU 4 CO 0.08 0.28 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.63 2r17 s VAL 5 N -0.26 1.24 0.34 1.68 1.01 0.15 -0.19 120.40 124.36 2r17 s VAL 5 Ca 0.08 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 2r17 s VAL 5 Cb -0.12 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.87 2r17 s VAL 5 CO 0.01 0.13 0.51 -1.48 0.00 0.00 0.00 175.10 174.28 2r17 s LEU 6 N 1.58 0.81 0.00 3.92 2.34 -1.13 -1.61 118.68 124.58 2r17 s LEU 6 Ca 0.00 -1.38 0.00 0.00 0.06 0.00 0.00 54.13 52.81 2r17 s LEU 6 Cb -0.16 1.67 0.00 0.00 -0.56 0.00 0.00 46.19 47.15 2r17 s LEU 6 CO -0.08 -1.33 0.00 0.61 -1.06 0.00 0.00 176.35 174.49 2r17 n GLY 7 N -0.54 -0.87 4.16 -3.48 0.00 -1.26 -1.14 105.19 102.05 2r17 n GLY 7 Ca -0.01 -0.88 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 2r17 n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2r17 n ASP 8 N 0.54 0.55 0.07 1.61 8.00 -1.26 -2.84 116.55 123.23 2r17 n ASP 8 Ca 0.00 -1.15 -0.12 0.00 0.71 0.00 0.00 54.79 54.23 2r17 n ASP 8 Cb 0.00 -1.44 -0.03 0.00 -0.02 0.00 0.00 41.12 39.63 2r17 n ASP 8 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2r17 h LEU 9 N -1.42 0.42 -1.30 0.64 3.38 -1.86 -3.39 115.31 111.78 2r17 h LEU 9 Ca -0.59 -0.34 -0.47 0.00 0.09 0.00 0.00 57.88 56.57 2r17 h LEU 9 Cb 1.26 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 2r17 h LEU 9 CO 0.66 1.15 -0.79 1.41 0.09 0.00 0.00 178.44 180.95 2r17 n HIS 10 N -3.71 -2.10 -3.72 1.13 8.25 -0.94 -4.49 115.22 109.63 2r17 n HIS 10 Ca -0.06 0.87 -0.36 0.00 -0.26 0.00 0.00 57.72 57.92 2r17 n HIS 10 Cb 0.83 -4.01 -0.07 0.00 1.12 0.00 0.00 29.99 27.85 2r17 n HIS 10 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2r17 s ILE 11 N -3.46 5.40 -0.24 1.59 1.01 -1.09 -0.52 121.20 123.88 2r17 s ILE 11 Ca 0.42 0.26 0.14 0.00 0.00 0.00 0.00 60.65 61.47 2r17 s ILE 11 Cb -0.21 -3.49 0.77 0.00 0.01 0.00 0.00 42.46 39.54 2r17 s ILE 11 CO 0.84 0.46 1.72 -0.81 0.00 0.00 0.00 174.94 177.15 2r17 n PRO 12 N 3.24 4.45 -0.25 2.79 -0.04 -1.26 -2.50 135.00 141.43 2r17 n PRO 12 Ca -0.16 -3.12 -0.03 0.00 -0.04 0.00 0.00 63.50 60.15 2r17 n PRO 12 Cb 0.52 -2.21 0.08 0.00 -0.04 0.00 0.00 33.50 31.86 2r17 n PRO 12 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2r17 h HIS 13 N 3.48 0.82 0.00 0.54 3.86 -1.65 -3.38 115.15 118.82 2r17 h HIS 13 Ca 0.04 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2r17 h HIS 13 Cb 1.97 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 30.17 2r17 h HIS 13 CO 1.05 0.46 -0.30 0.54 0.86 0.00 0.00 177.93 180.54 2r17 n ARG 14 N -4.67 3.29 -4.09 2.45 1.74 0.32 -5.09 116.66 110.61 2r17 n ARG 14 Ca 0.08 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.07 2r17 n ARG 14 Cb 0.09 -0.56 -0.10 0.00 -1.02 0.00 0.00 32.46 30.87 2r17 n ARG 14 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2r17 n ASN 16 N 0.39 0.64 -3.72 0.00 6.94 -1.26 -4.10 115.26 114.15 2r17 n ASN 16 Ca -0.16 -0.19 0.02 0.00 -0.02 0.00 0.00 54.58 54.23 2r17 n ASN 16 Cb 0.60 1.71 0.01 0.00 -2.36 0.00 0.00 39.78 39.74 2r17 n ASN 16 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2r17 s SER 17 N -3.94 -0.01 0.46 0.53 1.04 -1.26 -4.98 113.70 105.53 2r17 s SER 17 Ca -0.04 -0.25 -0.20 0.00 0.48 0.00 0.00 55.95 55.94 2r17 s SER 17 Cb 0.13 0.19 -0.10 0.00 0.10 0.00 0.00 66.02 66.34 2r17 s SER 17 CO 0.80 -0.38 0.97 -0.76 0.98 0.00 0.00 173.24 174.85 2r17 s LEU 18 N -3.55 3.85 0.54 2.42 1.02 -1.26 -4.82 118.68 116.89 2r17 s LEU 18 Ca 0.25 1.71 -0.19 0.00 0.02 0.00 0.00 54.13 55.92 2r17 s LEU 18 Cb 0.01 -4.54 -0.09 0.00 0.02 0.00 0.00 46.19 41.59 2r17 s LEU 18 CO -0.01 -0.50 0.58 -0.81 0.02 0.00 0.00 176.35 175.64 2r17 n PRO 19 N -0.91 0.59 -0.09 1.29 -0.04 -1.26 -4.76 135.00 129.82 2r17 n PRO 19 Ca 0.07 0.23 -0.07 0.00 -0.04 0.00 0.00 63.50 63.69 2r17 n PRO 19 Cb 0.54 -1.73 -0.01 0.00 -0.04 0.00 0.00 33.50 32.26 2r17 n PRO 19 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2r17 h ALA 20 N 0.40 -0.08 -0.76 0.55 0.00 -1.99 -2.66 119.26 114.72 2r17 h ALA 20 Ca -0.45 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2r17 h ALA 20 Cb 1.39 0.56 -0.04 0.00 0.00 0.00 0.00 17.79 19.71 2r17 h ALA 20 CO 0.48 -0.65 0.39 0.87 0.00 0.00 0.00 179.25 180.34 2r17 h LYS 21 N -0.22 1.07 -0.93 0.00 1.57 -1.96 -2.91 116.57 113.20 2r17 h LYS 21 Ca 0.17 -0.14 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 2r17 h LYS 21 Cb 0.48 -0.20 -0.06 0.00 0.08 0.00 0.00 32.23 32.53 2r17 h LYS 21 CO -0.46 0.81 0.61 0.74 -0.57 0.00 0.00 179.45 180.58 2r17 h PHE 22 N 1.05 1.12 -0.33 -1.35 -1.00 -1.83 -0.82 116.94 113.78 2r17 h PHE 22 Ca 0.26 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 61.07 2r17 h PHE 22 Cb 0.07 -0.37 -0.02 0.00 3.61 0.00 0.00 35.95 39.25 2r17 h PHE 22 CO 0.00 0.63 0.20 0.87 -1.61 0.00 0.00 178.31 178.40 2r17 h LYS 23 N 1.14 0.44 0.00 1.51 1.57 -1.28 -0.52 116.57 119.44 2r17 h LYS 23 Ca 0.38 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 2r17 h LYS 23 Cb 0.07 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2r17 h LYS 23 CO -0.13 0.32 0.00 -0.22 -0.57 0.00 0.00 179.45 178.85 2r17 h LYS 24 N 0.45 0.00 0.00 3.15 3.64 -1.12 -3.19 116.57 119.51 2r17 h LYS 24 Ca 0.12 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.36 2r17 h LYS 24 Cb -0.01 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 2r17 h LYS 24 CO -0.02 0.00 -1.95 1.28 -2.27 0.00 0.00 179.45 176.49 2r17 n LEU 25 N -2.48 0.20 -4.34 5.20 4.77 -0.25 -4.77 117.00 115.32 2r17 n LEU 25 Ca 0.03 0.09 -0.46 0.00 -0.03 0.00 0.00 56.01 55.64 2r17 n LEU 25 Cb 0.33 0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.54 2r17 n LEU 25 CO 0.25 0.16 0.38 -0.76 -1.33 0.00 0.00 177.39 176.10 2r17 s LEU 26 N -5.07 6.14 0.08 2.23 1.43 -0.88 -5.03 118.68 117.58 2r17 s LEU 26 Ca -0.07 -2.09 0.08 0.00 -1.03 0.00 0.00 54.13 51.02 2r17 s LEU 26 Cb 0.10 -2.25 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 2r17 s LEU 26 CO 0.86 -0.82 -0.22 0.68 0.23 0.00 0.00 176.35 177.08 2r17 s VAL 27 N 1.37 1.77 1.10 -1.59 -7.23 -1.26 -4.93 120.40 109.63 2r17 s VAL 27 Ca 0.13 -1.41 -0.19 0.00 -1.81 0.00 0.00 61.98 58.70 2r17 s VAL 27 Cb -0.19 -1.57 0.07 0.00 0.56 0.00 0.00 36.38 35.25 2r17 s VAL 27 CO -0.02 0.09 -0.12 -2.65 -0.31 0.00 0.00 175.10 172.10 2r17 n PRO 28 N 1.43 -1.34 0.00 4.82 -0.02 -1.26 -3.73 135.00 134.90 2r17 n PRO 28 Ca -0.18 -0.37 0.00 0.00 -2.02 0.00 0.00 63.50 60.92 2r17 n PRO 28 Cb 0.53 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 2r17 n PRO 28 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r17 n GLY 29 N 2.13 1.79 0.19 -1.23 0.00 -1.26 -4.74 105.19 102.07 2r17 n GLY 29 Ca 0.01 -0.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 2r17 n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2r17 h LYS 30 N 0.00 0.59 -5.91 1.61 1.57 -1.85 -3.44 116.57 109.13 2r17 h LYS 30 Ca 0.00 -0.34 -0.57 0.00 -1.87 0.00 0.00 60.65 57.87 2r17 h LYS 30 Cb 0.00 0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.27 2r17 h LYS 30 CO 0.00 0.94 0.10 0.42 -0.57 0.00 0.00 179.45 180.34 2r17 s ILE 31 N -4.22 5.04 -0.58 1.86 1.01 -1.26 -4.86 121.20 118.20 2r17 s ILE 31 Ca -0.13 1.35 0.18 0.00 0.00 0.00 0.00 60.65 62.05 2r17 s ILE 31 Cb 0.07 -4.00 -0.22 0.00 0.01 0.00 0.00 42.46 38.32 2r17 s ILE 31 CO 0.81 0.21 0.63 0.00 0.00 0.00 0.00 174.94 176.59 2r17 n GLN 32 N 4.17 1.02 -3.80 2.79 3.00 -1.21 -4.52 117.38 118.84 2r17 n GLN 32 Ca -0.01 -0.05 -0.13 0.00 -0.01 0.00 0.00 57.00 56.80 2r17 n GLN 32 Cb 0.51 -1.36 -0.09 0.00 0.00 0.00 0.00 30.24 29.30 2r17 n GLN 32 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 2r17 s HIS 33 N -2.83 -0.14 -0.08 1.08 3.76 -1.23 -4.49 115.29 111.37 2r17 s HIS 33 Ca 0.03 0.23 -0.03 0.00 -0.15 0.00 0.00 55.06 55.14 2r17 s HIS 33 Cb 0.13 0.06 0.04 0.00 1.11 0.00 0.00 32.58 33.92 2r17 s HIS 33 CO 0.73 -0.32 0.12 0.42 -0.85 0.00 0.00 174.74 174.84 2r17 s ILE 34 N -1.09 -0.20 -0.29 0.60 1.01 -1.06 -0.14 121.20 120.02 2r17 s ILE 34 Ca -0.12 0.34 -0.04 0.00 0.00 0.00 0.00 60.65 60.83 2r17 s ILE 34 Cb -0.05 -0.27 0.03 0.00 0.01 0.00 0.00 42.46 42.18 2r17 s ILE 34 CO 0.03 0.13 0.03 -0.76 0.00 0.00 0.00 174.94 174.36 2r17 s LEU 35 N 2.24 3.78 -0.26 2.97 1.43 0.73 -0.36 118.68 129.21 2r17 s LEU 35 Ca 0.04 -0.97 -0.06 0.00 -1.03 0.00 0.00 54.13 52.11 2r17 s LEU 35 Cb -0.12 -1.78 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 2r17 s LEU 35 CO -0.05 -0.22 0.04 0.00 0.23 0.00 0.00 176.35 176.36 2r17 n THR 37 N 4.87 0.00 -0.62 0.00 -2.24 -0.30 -2.66 114.28 113.33 2r17 n THR 37 Ca -0.16 0.53 -0.24 0.00 -2.27 0.00 0.00 64.05 61.92 2r17 n THR 37 Cb 0.50 -1.41 0.14 0.00 -2.10 0.00 0.00 70.33 67.46 2r17 n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2r17 n GLY 38 N 1.76 -2.49 3.47 3.38 0.00 -1.26 -4.35 105.19 105.70 2r17 n GLY 38 Ca 0.00 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 2r17 n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r17 s ASN 39 N -1.80 6.24 0.29 1.61 2.20 -1.26 -4.42 114.94 117.80 2r17 s ASN 39 Ca 0.41 -0.73 0.24 0.00 -0.94 0.00 0.00 52.86 51.84 2r17 s ASN 39 Cb -0.06 -2.27 0.53 0.00 -2.00 0.00 0.00 41.25 37.45 2r17 s ASN 39 CO 0.45 -0.77 1.62 0.17 -2.94 0.00 0.00 177.10 175.63 2r17 h LEU 40 N 9.49 0.00 0.00 3.54 -0.00 -1.92 -2.49 115.31 123.92 2r17 h LEU 40 Ca -0.27 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 2r17 h LEU 40 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.76 2r17 h LEU 40 CO 0.90 0.01 0.00 0.00 -0.00 0.00 0.00 178.44 179.35 2r17 s THR 42 N 0.00 4.96 0.66 0.00 -1.32 -1.04 -3.21 115.64 115.69 2r17 s THR 42 Ca 0.00 0.92 0.41 0.00 -1.21 0.00 0.00 61.69 61.81 2r17 s THR 42 Cb 0.00 -3.75 0.42 0.00 -1.51 0.00 0.00 72.50 67.66 2r17 s THR 42 CO 0.00 0.56 2.31 0.50 -2.21 0.00 0.00 174.62 175.78 2r17 h LYS 43 N 4.61 0.00 -0.54 7.08 3.64 -1.92 0.20 116.57 129.64 2r17 h LYS 43 Ca -0.51 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2r17 h LYS 43 Cb 1.22 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 2r17 h LYS 43 CO 0.62 0.00 0.35 1.49 -2.27 0.00 0.00 179.45 179.64 2r17 h GLU 44 N 0.00 0.71 0.00 1.90 4.81 -1.95 -0.98 114.58 119.06 2r17 h GLU 44 Ca 0.00 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 2r17 h GLU 44 Cb 0.09 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 2r17 h GLU 44 CO -0.00 0.48 -0.13 0.77 -0.73 0.00 0.00 179.01 179.39 2r17 h SER 45 N 0.73 0.00 -0.01 1.04 0.02 -0.92 -3.07 113.55 111.34 2r17 h SER 45 Ca 0.20 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.94 2r17 h SER 45 Cb -0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.47 2r17 h SER 45 CO -0.04 0.11 -0.73 0.22 -1.14 0.00 0.00 176.83 175.24 2r17 h TYR 46 N 0.00 0.88 -0.21 3.45 3.20 -1.15 -2.71 116.97 120.43 2r17 h TYR 46 Ca -0.00 -0.38 -0.03 0.00 3.14 0.00 0.00 58.73 61.46 2r17 h TYR 46 Cb 1.08 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.20 2r17 h TYR 46 CO 0.00 1.18 0.03 -0.44 -1.64 0.00 0.00 178.16 177.29 2r17 h ASP 47 N 0.46 0.33 -0.68 -2.11 3.32 -1.37 -0.27 116.42 116.10 2r17 h ASP 47 Ca -0.04 -0.27 0.10 0.00 0.02 0.00 0.00 57.03 56.85 2r17 h ASP 47 Cb 1.34 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 40.73 2r17 h ASP 47 CO 0.14 0.51 0.30 0.22 -1.72 0.00 0.00 179.24 178.70 2r17 h TYR 48 N 0.14 0.53 -0.29 4.55 5.03 -1.56 -0.16 116.97 125.21 2r17 h TYR 48 Ca 0.06 0.03 0.02 0.00 2.58 0.00 0.00 58.73 61.42 2r17 h TYR 48 Cb 0.33 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.45 2r17 h TYR 48 CO 0.02 0.16 0.15 -0.07 -1.32 0.00 0.00 178.16 177.10 2r17 h LEU 49 N 0.51 0.22 -0.04 2.82 3.38 -1.14 -0.05 115.31 121.02 2r17 h LEU 49 Ca 0.34 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.32 2r17 h LEU 49 Cb 0.40 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2r17 h LEU 49 CO -0.30 0.17 0.07 1.17 0.09 0.00 0.00 178.44 179.64 2r17 n LYS 50 N -4.96 0.00 -0.05 1.13 3.00 -0.14 -1.92 118.16 115.24 2r17 n LYS 50 Ca -0.01 0.44 -0.00 0.00 -0.00 0.00 0.00 58.31 58.74 2r17 n LYS 50 Cb 0.07 -1.58 -0.00 0.00 0.00 0.00 0.00 35.03 33.52 2r17 n LYS 50 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 2r17 h THR 51 N 0.00 0.03 -1.04 3.15 2.02 -0.30 -3.36 112.91 113.41 2r17 h THR 51 Ca 0.00 -1.01 0.30 0.00 0.77 0.00 0.00 66.41 66.47 2r17 h THR 51 Cb 0.13 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 66.56 2r17 h THR 51 CO 0.00 0.01 0.76 -0.07 0.37 0.00 0.00 175.52 176.59 2r17 h LEU 52 N -1.00 0.00 -8.01 2.58 3.38 -1.37 -3.44 115.31 107.45 2r17 h LEU 52 Ca -0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2r17 h LEU 52 Cb 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2r17 h LEU 52 CO 0.00 0.00 0.23 0.00 0.09 0.00 0.00 178.44 178.77 2r17 s ALA 53 N -4.94 -0.98 -0.17 1.53 0.00 -1.20 -4.05 121.76 111.94 2r17 s ALA 53 Ca -0.05 -0.51 0.15 0.00 0.00 0.00 0.00 51.96 51.54 2r17 s ALA 53 Cb 0.22 0.79 -0.21 0.00 0.00 0.00 0.00 23.12 23.92 2r17 s ALA 53 CO 0.78 -1.01 0.05 0.41 0.00 0.00 0.00 175.76 175.99 2r17 n GLY 54 N -0.49 -0.82 3.36 0.00 0.00 -1.26 -4.41 105.19 101.57 2r17 n GLY 54 Ca -0.06 -0.28 -0.46 0.00 0.00 0.00 0.00 46.02 45.22 2r17 n GLY 54 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2r17 s ASP 55 N -5.13 6.66 -0.10 1.61 2.15 -1.26 -5.03 116.67 115.58 2r17 s ASP 55 Ca -0.09 -2.43 -0.02 0.00 0.43 0.00 0.00 52.55 50.44 2r17 s ASP 55 Cb 0.05 -2.25 -0.03 0.00 -0.30 0.00 0.00 42.92 40.39 2r17 s ASP 55 CO 0.69 -0.72 -0.03 -0.69 -0.17 0.00 0.00 175.17 174.25 2r17 s VAL 56 N 0.92 4.02 -0.12 1.11 1.01 -1.26 -2.58 120.40 123.50 2r17 s VAL 56 Ca 0.19 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.86 2r17 s VAL 56 Cb -0.11 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.57 2r17 s VAL 56 CO -0.07 0.57 -0.22 -1.00 0.00 0.00 0.00 175.10 174.37 2r17 s HIS 57 N -0.47 2.55 0.01 5.22 3.76 0.52 -5.00 115.29 121.88 2r17 s HIS 57 Ca 0.08 -1.19 0.03 0.00 -0.15 0.00 0.00 55.06 53.83 2r17 s HIS 57 Cb -0.12 -1.73 -0.01 0.00 1.11 0.00 0.00 32.58 31.83 2r17 s HIS 57 CO 0.02 -0.52 -0.09 0.42 -0.85 0.00 0.00 174.74 173.72 2r17 s ILE 58 N 0.64 0.69 0.15 0.60 1.01 -1.26 0.07 121.20 123.09 2r17 s ILE 58 Ca -0.12 -0.60 0.08 0.00 0.00 0.00 0.00 60.65 60.01 2r17 s ILE 58 Cb -0.16 -0.62 -0.04 0.00 0.01 0.00 0.00 42.46 41.64 2r17 s ILE 58 CO 0.02 0.03 -0.08 0.68 0.00 0.00 0.00 174.94 175.59 2r17 s VAL 59 N -0.53 3.34 -0.04 2.92 -7.23 -1.09 -4.13 120.40 113.64 2r17 s VAL 59 Ca 0.00 -1.45 -0.30 0.00 -1.81 0.00 0.00 61.98 58.42 2r17 s VAL 59 Cb -0.05 -2.62 -0.04 0.00 0.56 0.00 0.00 36.38 34.24 2r17 s VAL 59 CO 0.00 -0.01 1.20 -0.60 -0.31 0.00 0.00 175.10 175.38 2r17 s ARG 60 N -2.57 4.36 0.46 4.82 3.52 0.27 -4.77 118.95 125.04 2r17 s ARG 60 Ca 0.24 1.68 0.00 0.00 -0.13 0.00 0.00 55.73 57.53 2r17 s ARG 60 Cb -0.10 -3.53 0.00 0.00 -1.56 0.00 0.00 34.95 29.76 2r17 s ARG 60 CO 0.15 -0.42 0.68 0.20 -0.81 0.00 0.00 175.30 175.10 2r17 s GLY 61 N 1.43 1.60 0.00 8.12 0.00 -1.26 -4.50 107.32 112.70 2r17 s GLY 61 Ca 0.56 -1.09 0.07 0.00 0.00 0.00 0.00 44.72 44.26 2r17 s GLY 61 CO 0.23 -0.91 0.83 2.09 0.00 0.00 0.00 173.10 175.34 2r17 n ASP 62 N -2.10 0.00 0.00 1.64 5.75 -1.26 -2.67 116.55 117.91 2r17 n ASP 62 Ca 0.02 -0.37 0.00 0.00 -0.01 0.00 0.00 54.79 54.43 2r17 n ASP 62 Cb 0.58 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.67 2r17 n ASP 62 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 2r17 n PHE 63 N -0.88 0.00 -2.31 2.11 3.72 -1.26 -5.09 117.46 113.75 2r17 n PHE 63 Ca 0.05 -0.02 -0.40 0.00 -0.05 0.00 0.00 57.45 57.03 2r17 n PHE 63 Cb 0.02 -0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.53 2r17 n PHE 63 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2r17 s ASP 64 N -0.04 6.94 -0.02 4.37 1.01 -1.09 -4.73 116.67 123.11 2r17 s ASP 64 Ca 0.00 2.43 -0.26 0.00 0.71 0.00 0.00 52.55 55.44 2r17 s ASP 64 Cb 0.00 -2.63 -0.20 0.00 1.01 0.00 0.00 42.92 41.10 2r17 s ASP 64 CO 0.00 -0.39 1.26 -0.33 0.21 0.00 0.00 175.17 175.91 2r17 h GLU 65 N 3.40 -0.04 -6.23 8.23 5.08 -1.91 -3.43 114.58 119.69 2r17 h GLU 65 Ca -0.48 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.33 2r17 h GLU 65 Cb 1.22 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 2r17 h GLU 65 CO 0.65 0.42 1.03 1.21 -1.00 0.00 0.00 179.01 181.33 2r17 s ASN 66 N -5.63 6.71 0.00 1.42 2.47 -1.26 -4.87 114.94 113.78 2r17 s ASN 66 Ca -0.16 1.93 0.29 0.00 0.42 0.00 0.00 52.86 55.34 2r17 s ASN 66 Cb 0.02 -2.53 1.29 0.00 -1.45 0.00 0.00 41.25 38.57 2r17 s ASN 66 CO 0.65 -0.93 1.91 -0.11 -3.72 0.00 0.00 177.10 174.90 2r17 n LEU 67 N 7.18 0.26 0.00 3.21 0.00 -1.26 -3.93 117.00 122.45 2r17 n LEU 67 Ca 0.16 0.16 0.10 0.00 0.00 0.00 0.00 56.01 56.43 2r17 n LEU 67 Cb 0.44 -0.26 0.53 0.00 0.00 0.00 0.00 43.42 44.13 2r17 n LEU 67 CO 0.61 0.05 0.78 0.59 0.00 0.00 0.00 177.39 179.41 2r17 n ASN 68 N -1.17 0.00 -4.85 1.96 3.02 -1.26 -4.81 115.26 108.15 2r17 n ASN 68 Ca 0.13 -0.32 -0.32 0.00 -0.03 0.00 0.00 54.58 54.04 2r17 n ASN 68 Cb 0.27 -0.13 -0.05 0.00 -0.61 0.00 0.00 39.78 39.27 2r17 n ASN 68 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2r17 s TYR 69 N -2.26 3.40 0.36 3.10 2.02 -1.25 -5.04 117.35 117.68 2r17 s TYR 69 Ca 0.24 1.32 -0.27 0.00 -0.37 0.00 0.00 57.07 57.99 2r17 s TYR 69 Cb 0.13 -2.64 -0.09 0.00 -0.40 0.00 0.00 41.96 38.95 2r17 s TYR 69 CO 0.25 -0.12 1.23 -2.14 -1.57 0.00 0.00 175.55 173.21 2r17 s PRO 70 N -3.51 4.24 0.19 -1.71 0.02 -1.26 -4.32 135.00 128.64 2r17 s PRO 70 Ca 0.56 2.02 -0.10 0.00 0.02 0.00 0.00 61.00 63.51 2r17 s PRO 70 Cb -0.10 -2.91 0.11 0.00 0.02 0.00 0.00 34.50 31.62 2r17 s PRO 70 CO 0.23 -0.22 1.74 1.49 -0.33 0.00 0.00 177.00 179.91 2r17 h GLU 71 N 3.09 1.06 -2.97 5.54 4.57 -1.94 0.77 114.58 124.70 2r17 h GLU 71 Ca -0.49 -0.21 -0.09 0.00 -1.18 0.00 0.00 59.36 57.39 2r17 h GLU 71 Cb 1.23 -0.16 -0.17 0.00 -0.16 0.00 0.00 28.75 29.48 2r17 h GLU 71 CO 0.64 0.90 -0.13 1.14 -1.18 0.00 0.00 179.01 180.39 2r17 s GLN 72 N -5.47 0.87 -0.01 1.92 0.00 -1.26 -4.23 119.66 111.48 2r17 s GLN 72 Ca -0.12 -0.29 -0.09 0.00 -0.00 0.00 0.00 55.36 54.85 2r17 s GLN 72 Cb 0.14 0.39 0.01 0.00 0.00 0.00 0.00 33.01 33.55 2r17 s GLN 72 CO 0.83 -0.28 0.19 0.21 0.00 0.00 0.00 175.29 176.23 2r17 s LYS 73 N -2.14 0.52 -0.22 9.60 2.20 -0.52 -4.99 119.74 124.20 2r17 s LYS 73 Ca -0.07 -0.31 -0.01 0.00 -0.36 0.00 0.00 55.97 55.21 2r17 s LYS 73 Cb -0.02 0.22 0.02 0.00 -1.51 0.00 0.00 37.83 36.54 2r17 s LYS 73 CO -0.00 -0.13 -0.11 0.08 -0.36 0.00 0.00 175.35 174.83 2r17 s VAL 74 N -1.30 2.69 -0.08 4.02 1.01 -1.26 -0.32 120.40 125.16 2r17 s VAL 74 Ca -0.14 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.01 2r17 s VAL 74 Cb -0.07 -2.26 -0.00 0.00 0.00 0.00 0.00 36.38 34.05 2r17 s VAL 74 CO 0.02 0.37 -0.24 0.54 0.00 0.00 0.00 175.10 175.79 2r17 s VAL 75 N 1.34 1.99 -0.12 2.92 0.11 0.16 -4.96 120.40 121.85 2r17 s VAL 75 Ca 0.03 -1.00 -0.19 0.00 -2.93 0.00 0.00 61.98 57.89 2r17 s VAL 75 Cb -0.15 -1.71 -0.04 0.00 -1.53 0.00 0.00 36.38 32.95 2r17 s VAL 75 CO -0.07 0.55 0.50 -0.89 -3.33 0.00 0.00 175.10 171.86 2r17 s THR 76 N 0.19 5.17 -0.61 5.04 2.01 -1.26 -1.64 115.64 124.54 2r17 s THR 76 Ca -0.13 1.00 0.04 0.00 0.31 0.00 0.00 61.69 62.91 2r17 s THR 76 Cb -0.16 -3.84 0.16 0.00 0.01 0.00 0.00 72.50 68.67 2r17 s THR 76 CO 0.07 0.31 0.42 -0.69 -0.69 0.00 0.00 174.62 174.03 2r17 s VAL 77 N 0.71 2.25 0.00 3.82 1.01 0.16 -4.99 120.40 123.35 2r17 s VAL 77 Ca 0.27 -3.71 0.00 0.00 0.00 0.00 0.00 61.98 58.54 2r17 s VAL 77 Cb -0.15 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.73 2r17 s VAL 77 CO 0.11 -1.02 0.00 0.61 0.00 0.00 0.00 175.10 174.80 2r17 n GLY 78 N 2.41 1.92 0.07 4.51 0.00 -1.26 -3.03 105.19 109.80 2r17 n GLY 78 Ca 0.19 -0.53 0.12 0.00 0.00 0.00 0.00 46.02 45.80 2r17 n GLY 78 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2r17 n GLN 79 N 7.77 0.28 -3.41 1.61 1.13 -1.26 -4.90 117.38 118.59 2r17 n GLN 79 Ca 0.00 0.10 -0.38 0.00 -1.94 0.00 0.00 57.00 54.78 2r17 n GLN 79 Cb 0.00 -1.70 -0.06 0.00 0.11 0.00 0.00 30.24 28.59 2r17 n GLN 79 CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2r17 s PHE 80 N -3.15 3.59 -0.33 1.08 0.08 -1.17 -4.93 117.98 113.15 2r17 s PHE 80 Ca 0.07 0.89 -0.11 0.00 0.12 0.00 0.00 56.93 57.91 2r17 s PHE 80 Cb 0.13 -2.42 0.00 0.00 -0.57 0.00 0.00 43.02 40.16 2r17 s PHE 80 CO 0.70 0.36 0.18 0.21 -0.10 0.00 0.00 175.22 176.58 2r17 s LYS 81 N -0.06 3.23 -0.09 0.44 2.20 -1.26 0.35 119.74 124.55 2r17 s LYS 81 Ca 0.24 -0.80 0.03 0.00 -0.36 0.00 0.00 55.97 55.08 2r17 s LYS 81 Cb -0.15 -3.66 -0.01 0.00 -1.51 0.00 0.00 37.83 32.50 2r17 s LYS 81 CO 0.11 -0.50 -0.19 0.42 -0.36 0.00 0.00 175.35 174.82 2r17 s ILE 82 N 1.62 2.51 0.21 5.43 1.01 -0.65 -0.46 121.20 130.87 2r17 s ILE 82 Ca 0.04 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 59.81 2r17 s ILE 82 Cb -0.18 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 2r17 s ILE 82 CO 0.07 0.55 0.39 -0.83 0.00 0.00 0.00 174.94 175.13 2r17 s GLY 83 N 0.11 1.77 -0.02 6.18 0.00 -0.45 -0.66 107.32 114.25 2r17 s GLY 83 Ca -0.09 -0.84 -0.00 0.00 0.00 0.00 0.00 44.72 43.78 2r17 s GLY 83 CO 0.06 -0.80 0.03 -2.27 0.00 0.00 0.00 173.10 170.12 2r17 s LEU 84 N -3.36 1.38 -0.04 0.66 0.20 0.56 -1.53 118.68 116.55 2r17 s LEU 84 Ca 0.38 0.06 -0.30 0.00 0.69 0.00 0.00 54.13 54.96 2r17 s LEU 84 Cb -0.11 0.01 0.07 0.00 -0.43 0.00 0.00 46.19 45.73 2r17 s LEU 84 CO 0.29 -0.08 0.69 -0.51 -0.29 0.00 0.00 176.35 176.45 2r17 s ILE 85 N 0.67 0.00 0.06 6.68 2.07 -0.99 -1.43 121.20 128.25 2r17 s ILE 85 Ca -0.06 0.00 -0.18 0.00 -1.41 0.00 0.00 60.65 59.00 2r17 s ILE 85 Cb -0.08 -1.00 -0.13 0.00 0.13 0.00 0.00 42.46 41.38 2r17 s ILE 85 CO -0.02 0.00 1.34 -0.74 -1.91 0.00 0.00 174.94 173.61 2r17 h HIS 86 N 2.87 0.61 0.00 3.50 -0.00 -1.79 -3.34 115.15 117.00 2r17 h HIS 86 Ca -0.27 -0.20 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 2r17 h HIS 86 Cb 1.16 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 28.45 2r17 h HIS 86 CO 0.36 0.89 0.00 0.41 -0.00 0.00 0.00 177.93 179.59 2r17 n GLY 87 N 0.30 2.00 0.19 5.26 0.00 -1.26 -0.28 105.19 111.39 2r17 n GLY 87 Ca -0.06 -0.39 0.13 0.00 0.00 0.00 0.00 46.02 45.70 2r17 n GLY 87 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2r17 h HIS 88 N 0.00 0.00 -0.00 1.61 2.07 -1.89 0.10 115.15 117.04 2r17 h HIS 88 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2r17 h HIS 88 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 2r17 h HIS 88 CO 0.00 0.00 -0.25 1.04 -3.07 0.00 0.00 177.93 175.65 2r17 n GLN 89 N -2.37 0.51 -3.35 5.12 3.00 -1.26 -4.75 117.38 114.28 2r17 n GLN 89 Ca -0.02 -0.25 -0.43 0.00 -0.01 0.00 0.00 57.00 56.30 2r17 n GLN 89 Cb 0.05 -1.49 -0.09 0.00 0.00 0.00 0.00 30.24 28.70 2r17 n GLN 89 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2r17 s VAL 90 N -2.66 5.13 -0.12 5.09 1.01 0.36 -5.07 120.40 124.13 2r17 s VAL 90 Ca 0.21 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.73 2r17 s VAL 90 Cb 0.19 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 2r17 s VAL 90 CO 0.55 -0.42 -0.11 -0.63 0.00 0.00 0.00 175.10 174.49 2r17 s ILE 91 N 2.03 3.26 0.62 2.22 1.09 -1.26 -2.08 121.20 127.07 2r17 s ILE 91 Ca 0.10 -0.60 -0.17 0.00 -1.10 0.00 0.00 60.65 58.88 2r17 s ILE 91 Cb -0.18 -2.37 -0.02 0.00 -1.06 0.00 0.00 42.46 38.83 2r17 s ILE 91 CO 0.12 0.53 1.15 -2.84 -0.10 0.00 0.00 174.94 173.80 2r17 s PRO 92 N 0.17 2.93 0.24 2.79 0.02 -1.26 -4.83 135.00 135.06 2r17 s PRO 92 Ca -0.06 1.61 -0.09 0.00 0.02 0.00 0.00 61.00 62.48 2r17 s PRO 92 Cb -0.15 -1.95 0.37 0.00 0.02 0.00 0.00 34.50 32.80 2r17 s PRO 92 CO 0.04 -1.19 1.40 0.91 -0.33 0.00 0.00 177.00 177.84 2r17 n TRP 93 N -1.91 0.26 -1.06 6.54 8.01 -0.88 -2.17 117.44 126.23 2r17 n TRP 93 Ca 0.12 1.10 0.10 0.00 -1.31 0.00 0.00 57.50 57.51 2r17 n TRP 93 Cb 0.51 -0.98 0.17 0.00 -2.01 0.00 0.00 31.31 28.99 2r17 n TRP 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2r17 n GLY 94 N -1.54 4.70 0.00 6.99 0.00 -1.26 -4.78 105.19 109.30 2r17 n GLY 94 Ca 0.13 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2r17 n GLY 94 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2r17 n ASP 95 N -1.22 -1.47 0.00 1.61 -0.08 -0.92 -4.97 116.55 109.50 2r17 n ASP 95 Ca 0.17 -0.10 0.00 0.00 -1.51 0.00 0.00 54.79 53.35 2r17 n ASP 95 Cb 0.70 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.16 2r17 n ASP 95 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2r17 n ALA 97 N -3.00 0.00 0.05 -1.67 0.00 -1.26 -1.31 120.51 113.32 2r17 n ALA 97 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 2r17 n ALA 97 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2r17 n ALA 97 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2r17 h SER 98 N 0.00 0.65 -0.17 0.00 0.02 -1.91 -1.09 113.55 111.05 2r17 h SER 98 Ca 0.00 -0.50 -0.01 0.00 -0.84 0.00 0.00 61.79 60.44 2r17 h SER 98 Cb 0.00 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 2r17 h SER 98 CO 0.00 1.30 0.06 -0.07 -1.14 0.00 0.00 176.83 176.97 2r17 h LEU 99 N 0.30 0.24 -0.26 5.07 3.38 -1.57 -2.03 115.31 120.44 2r17 h LEU 99 Ca -0.08 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.74 2r17 h LEU 99 Cb 1.57 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 42.21 2r17 h LEU 99 CO 0.17 0.37 -0.02 0.00 0.09 0.00 0.00 178.44 179.05 2r17 h ALA 100 N 0.89 0.22 -0.88 1.53 0.00 -1.81 0.14 119.26 119.34 2r17 h ALA 100 Ca 0.06 0.08 0.15 0.00 0.00 0.00 0.00 54.91 55.20 2r17 h ALA 100 Cb 0.21 0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 2r17 h ALA 100 CO -0.00 -0.43 0.57 1.25 0.00 0.00 0.00 179.25 180.64 2r17 h LEU 101 N 0.06 0.60 -0.42 0.00 5.85 -1.02 0.63 115.31 121.00 2r17 h LEU 101 Ca 0.13 0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.77 2r17 h LEU 101 Cb 0.17 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 2r17 h LEU 101 CO -0.23 0.29 -0.21 0.25 -0.34 0.00 0.00 178.44 178.20 2r17 h LEU 102 N 0.63 0.92 -0.74 2.25 5.85 -0.08 -3.13 115.31 121.00 2r17 h LEU 102 Ca 0.45 -0.41 0.11 0.00 0.84 0.00 0.00 57.88 58.87 2r17 h LEU 102 Cb 0.80 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 41.50 2r17 h LEU 102 CO -0.20 1.12 0.36 -0.61 -0.34 0.00 0.00 178.44 178.77 2r17 h GLN 103 N 0.71 0.56 0.36 1.25 -0.00 0.14 -2.08 115.11 116.05 2r17 h GLN 103 Ca 0.09 -0.03 -0.00 0.00 -0.00 0.00 0.00 58.65 58.71 2r17 h GLN 103 Cb 0.78 -0.13 -0.03 0.00 0.00 0.00 0.00 27.48 28.10 2r17 h GLN 103 CO 0.06 0.37 -0.49 0.00 0.00 0.00 0.00 178.83 178.78 2r17 h ARG 104 N 0.58 -0.86 -0.82 1.69 3.08 -1.39 0.35 114.38 117.02 2r17 h ARG 104 Ca 0.38 0.06 0.15 0.00 0.07 0.00 0.00 59.98 60.64 2r17 h ARG 104 Cb 0.45 0.20 -0.10 0.00 0.08 0.00 0.00 29.97 30.60 2r17 h ARG 104 CO -0.31 -0.57 0.37 0.37 -1.07 0.00 0.00 179.97 178.77 2r17 h GLN 105 N -0.89 0.50 -0.10 0.04 4.15 -1.51 -1.50 115.11 115.80 2r17 h GLN 105 Ca -0.04 -0.03 -0.22 0.00 0.77 0.00 0.00 58.65 59.14 2r17 h GLN 105 Cb 0.81 -0.11 0.01 0.00 0.21 0.00 0.00 27.48 28.40 2r17 h GLN 105 CO -0.14 0.33 -0.82 0.74 -1.93 0.00 0.00 178.83 177.02 2r17 h PHE 106 N 0.52 0.88 -3.68 3.99 -1.00 -1.16 -3.48 116.94 113.01 2r17 h PHE 106 Ca 0.46 -0.41 -0.16 0.00 2.81 0.00 0.00 57.97 60.67 2r17 h PHE 106 Cb 0.70 -0.13 0.08 0.00 3.61 0.00 0.00 35.95 40.21 2r17 h PHE 106 CO -0.13 1.22 -0.36 -3.47 -1.61 0.00 0.00 178.31 173.96 2r17 n ASP 107 N -3.88 -2.30 -4.67 2.17 2.03 0.12 -5.05 116.55 104.98 2r17 n ASP 107 Ca -0.07 -0.29 -0.25 0.00 0.52 0.00 0.00 54.79 54.70 2r17 n ASP 107 Cb 0.76 -2.70 -0.07 0.00 -0.72 0.00 0.00 41.12 38.39 2r17 n ASP 107 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2r17 s VAL 108 N -3.17 3.71 0.05 5.18 -7.23 -1.23 -5.00 120.40 112.71 2r17 s VAL 108 Ca 0.04 -1.55 0.07 0.00 -1.81 0.00 0.00 61.98 58.73 2r17 s VAL 108 Cb -0.02 -2.91 -0.23 0.00 0.56 0.00 0.00 36.38 33.78 2r17 s VAL 108 CO 0.35 -0.20 1.01 0.44 -0.31 0.00 0.00 175.10 176.38 2r17 h ASP 109 N 2.39 0.08 -4.21 4.85 3.32 -1.14 -3.46 116.42 118.24 2r17 h ASP 109 Ca -0.46 -0.10 -0.42 0.00 0.02 0.00 0.00 57.03 56.06 2r17 h ASP 109 Cb 1.22 -0.02 -0.27 0.00 0.22 0.00 0.00 39.33 40.47 2r17 h ASP 109 CO 0.59 1.09 -0.79 -0.63 -1.72 0.00 0.00 179.24 177.78 2r17 s ILE 110 N -2.66 0.91 -0.17 0.35 1.01 -1.09 -1.13 121.20 118.42 2r17 s ILE 110 Ca -0.03 -0.67 -0.00 0.00 0.00 0.00 0.00 60.65 59.95 2r17 s ILE 110 Cb 0.09 -0.79 0.04 0.00 0.01 0.00 0.00 42.46 41.80 2r17 s ILE 110 CO 0.83 0.12 -0.06 -0.22 0.00 0.00 0.00 174.94 175.61 2r17 s LEU 111 N -0.62 1.71 -0.19 2.97 0.20 0.55 -1.34 118.68 121.97 2r17 s LEU 111 Ca 0.02 -0.71 -0.11 0.00 0.69 0.00 0.00 54.13 54.03 2r17 s LEU 111 Cb -0.06 -0.95 -0.05 0.00 -0.43 0.00 0.00 46.19 44.70 2r17 s LEU 111 CO 0.00 -0.18 0.16 -0.63 -0.29 0.00 0.00 176.35 175.41 2r17 s ILE 112 N 1.60 5.39 0.16 6.68 -1.09 -0.58 -1.91 121.20 131.46 2r17 s ILE 112 Ca 0.00 0.26 -0.17 0.00 -2.23 0.00 0.00 60.65 58.50 2r17 s ILE 112 Cb -0.15 -3.50 0.04 0.00 -1.58 0.00 0.00 42.46 37.27 2r17 s ILE 112 CO -0.08 0.44 0.47 -0.94 -1.23 0.00 0.00 174.94 173.61 2r17 s SER 113 N 0.31 -0.29 0.00 3.58 1.04 -0.87 -2.36 113.70 115.12 2r17 s SER 113 Ca 0.10 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.19 2r17 s SER 113 Cb -0.11 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2r17 s SER 113 CO -0.01 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.88 2r17 n GLY 114 N -0.29 2.80 4.62 7.32 0.00 0.61 -4.01 105.19 116.24 2r17 n GLY 114 Ca -0.14 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.62 2r17 n GLY 114 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2r17 n HIS 115 N 0.00 0.00 0.11 1.61 -0.00 -1.11 -4.56 115.22 111.26 2r17 n HIS 115 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.82 2r17 n HIS 115 Cb 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2r17 n HIS 115 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 2r17 h THR 116 N 0.00 0.05 -1.60 3.57 1.35 -1.91 -3.48 112.91 110.89 2r17 h THR 116 Ca 0.00 -1.10 -0.30 0.00 -0.55 0.00 0.00 66.41 64.46 2r17 h THR 116 Cb 0.00 1.59 -0.05 0.00 -1.73 0.00 0.00 68.15 67.96 2r17 h THR 116 CO 0.00 0.03 -0.34 1.41 -0.25 0.00 0.00 175.52 176.37 2r17 n HIS 117 N -2.73 -0.45 -3.95 4.73 -0.00 -1.26 -4.92 115.22 106.63 2r17 n HIS 117 Ca -0.01 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.43 2r17 n HIS 117 Cb 0.58 -2.93 -0.16 0.00 -0.00 0.00 0.00 29.99 27.47 2r17 n HIS 117 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 2r17 s LYS 118 N -4.20 1.82 0.28 -0.41 1.02 -1.26 -4.38 119.74 112.61 2r17 s LYS 118 Ca 0.00 -0.54 -0.30 0.00 0.02 0.00 0.00 55.97 55.15 2r17 s LYS 118 Cb 0.00 -2.02 -0.12 0.00 -0.52 0.00 0.00 37.83 35.16 2r17 s LYS 118 CO 0.00 -0.34 1.55 0.34 -0.92 0.00 0.00 175.35 175.99 2r17 n PHE 119 N 4.82 2.67 -3.71 3.18 -0.00 -1.26 -4.56 117.46 118.60 2r17 n PHE 119 Ca -0.14 0.29 -0.12 0.00 -0.00 0.00 0.00 57.45 57.48 2r17 n PHE 119 Cb 0.49 -2.57 -0.13 0.00 -0.00 0.00 0.00 39.48 37.28 2r17 n PHE 119 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 2r17 s GLU 120 N -0.41 0.24 -0.23 -4.13 2.02 -0.57 -4.97 118.70 110.65 2r17 s GLU 120 Ca 0.66 0.61 -0.04 0.00 0.02 0.00 0.00 54.97 56.21 2r17 s GLU 120 Cb -0.54 -0.09 0.09 0.00 0.10 0.00 0.00 34.13 33.69 2r17 s GLU 120 CO 0.48 -0.17 0.14 0.00 0.02 0.00 0.00 175.26 175.72 2r17 s ALA 121 N 1.40 0.37 0.18 5.21 0.00 -1.26 -0.39 121.76 127.27 2r17 s ALA 121 Ca -0.08 -0.57 -0.10 0.00 0.00 0.00 0.00 51.96 51.20 2r17 s ALA 121 Cb -0.10 -1.27 -0.00 0.00 0.00 0.00 0.00 23.12 21.75 2r17 s ALA 121 CO -0.10 -1.42 0.33 -0.59 0.00 0.00 0.00 175.76 173.99 2r17 s PHE 122 N 2.16 0.35 0.01 0.00 -0.71 -0.76 -5.02 117.98 114.00 2r17 s PHE 122 Ca 0.06 -0.70 0.03 0.00 -1.04 0.00 0.00 56.93 55.28 2r17 s PHE 122 Cb -0.16 0.02 -0.03 0.00 -1.21 0.00 0.00 43.02 41.63 2r17 s PHE 122 CO -0.23 -0.77 -0.06 -2.00 -1.34 0.00 0.00 175.22 170.82 2r17 s GLU 123 N -3.97 2.55 -0.16 1.99 2.12 -1.26 -1.27 118.70 118.71 2r17 s GLU 123 Ca 0.17 -0.73 -0.06 0.00 0.36 0.00 0.00 54.97 54.71 2r17 s GLU 123 Cb 0.02 -2.51 0.07 0.00 0.26 0.00 0.00 34.13 31.98 2r17 s GLU 123 CO 0.01 0.60 0.34 -1.58 -0.54 0.00 0.00 175.26 174.09 2r17 s HIS 124 N -1.02 -0.58 -1.12 5.30 5.65 -0.33 -4.96 115.29 118.24 2r17 s HIS 124 Ca 0.18 1.20 -0.26 0.00 0.25 0.00 0.00 55.06 56.43 2r17 s HIS 124 Cb -0.11 0.15 0.03 0.00 -1.18 0.00 0.00 32.58 31.48 2r17 s HIS 124 CO 0.08 -0.38 0.67 0.39 -0.65 0.00 0.00 174.74 174.85 2r17 n GLU 125 N 4.99 -0.57 -1.22 2.88 1.02 -1.26 -1.03 120.64 125.45 2r17 n GLU 125 Ca -0.13 0.25 -0.08 0.00 -0.02 0.00 0.00 57.16 57.18 2r17 n GLU 125 Cb 0.51 -2.49 -0.03 0.00 -0.02 0.00 0.00 31.44 29.41 2r17 n GLU 125 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2r17 n ASN 126 N -2.27 -5.79 -4.43 1.62 4.13 -1.26 -4.97 115.26 102.29 2r17 n ASN 126 Ca -0.16 0.19 -0.24 0.00 1.68 0.00 0.00 54.58 56.05 2r17 n ASN 126 Cb 0.59 -3.98 -0.10 0.00 -1.54 0.00 0.00 39.78 34.75 2r17 n ASN 126 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2r17 s LYS 127 N -2.64 1.56 -0.09 3.52 3.01 -0.20 -4.51 119.74 120.38 2r17 s LYS 127 Ca 0.00 -1.66 0.02 0.00 -1.01 0.00 0.00 55.97 53.32 2r17 s LYS 127 Cb 0.00 -1.65 -0.02 0.00 -1.01 0.00 0.00 37.83 35.15 2r17 s LYS 127 CO 0.00 0.32 -0.16 0.12 0.51 0.00 0.00 175.35 176.14 2r17 s PHE 128 N -2.37 2.72 -0.13 3.18 5.99 -0.29 -1.18 117.98 125.90 2r17 s PHE 128 Ca 0.26 -0.53 0.02 0.00 0.00 0.00 0.00 56.93 56.68 2r17 s PHE 128 Cb -0.05 -1.74 0.00 0.00 0.00 0.00 0.00 43.02 41.23 2r17 s PHE 128 CO 0.12 -0.11 -0.20 0.71 -0.00 0.00 0.00 175.22 175.74 2r17 s TYR 129 N -0.04 2.67 -0.03 10.12 2.02 -0.39 -0.33 117.35 131.37 2r17 s TYR 129 Ca -0.04 -1.12 0.03 0.00 -0.37 0.00 0.00 57.07 55.57 2r17 s TYR 129 Cb -0.14 -1.80 0.00 0.00 -0.40 0.00 0.00 41.96 39.62 2r17 s TYR 129 CO 0.04 -0.49 -0.11 0.42 -1.57 0.00 0.00 175.55 173.84 2r17 s ILE 130 N 0.62 0.94 -0.25 2.71 -1.09 -0.80 -1.83 121.20 121.51 2r17 s ILE 130 Ca -0.11 -0.45 -0.02 0.00 -2.23 0.00 0.00 60.65 57.84 2r17 s ILE 130 Cb -0.16 -0.83 0.08 0.00 -1.58 0.00 0.00 42.46 39.97 2r17 s ILE 130 CO 0.03 0.29 0.07 0.21 -1.23 0.00 0.00 174.94 174.30 2r17 s ASN 131 N 0.14 3.39 0.31 3.58 3.84 0.47 -2.05 114.94 124.62 2r17 s ASN 131 Ca -0.03 -1.16 0.01 0.00 0.21 0.00 0.00 52.86 51.89 2r17 s ASN 131 Cb -0.09 -0.66 0.56 0.00 -0.55 0.00 0.00 41.25 40.51 2r17 s ASN 131 CO 0.01 -0.36 1.93 1.55 -2.79 0.00 0.00 177.10 177.44 2r17 h PRO 132 N 8.21 0.95 0.00 0.43 0.13 -1.85 -1.51 132.00 138.37 2r17 h PRO 132 Ca -0.16 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2r17 h PRO 132 Cb 1.07 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 31.98 2r17 h PRO 132 CO 0.40 0.63 0.00 0.41 -0.23 0.00 0.00 178.00 179.21 2r17 n GLY 133 N -1.41 0.51 3.11 1.56 0.00 -1.26 -4.17 105.19 103.53 2r17 n GLY 133 Ca 0.12 -1.76 -0.33 0.00 0.00 0.00 0.00 46.02 44.05 2r17 n GLY 133 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2r17 s SER 134 N -4.00 4.11 0.53 1.61 0.15 -1.26 -4.32 113.70 110.53 2r17 s SER 134 Ca 0.00 -1.10 0.32 0.00 0.70 0.00 0.00 55.95 55.87 2r17 s SER 134 Cb 0.00 -1.56 1.75 0.00 -1.71 0.00 0.00 66.02 64.49 2r17 s SER 134 CO 0.00 -0.13 1.97 0.00 1.20 0.00 0.00 173.24 176.28 2r17 h ALA 135 N 7.88 1.09 -0.13 5.45 0.00 -1.30 0.28 119.26 132.52 2r17 h ALA 135 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2r17 h ALA 135 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2r17 h ALA 135 CO 0.53 -0.09 0.00 0.25 0.00 0.00 0.00 179.25 179.95 2r17 n THR 136 N -2.70 1.12 -2.55 0.00 -2.24 -1.26 -4.16 114.28 102.49 2r17 n THR 136 Ca -0.02 -1.13 -0.19 0.00 -2.27 0.00 0.00 64.05 60.44 2r17 n THR 136 Cb 0.15 0.41 -0.00 0.00 -2.10 0.00 0.00 70.33 68.79 2r17 n THR 136 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2r17 n GLY 137 N -0.21 -0.50 3.61 3.38 0.00 0.00 -4.84 105.19 106.63 2r17 n GLY 137 Ca 0.06 0.02 -0.46 0.00 0.00 0.00 0.00 46.02 45.65 2r17 n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2r17 n ALA 138 N -2.37 -0.08 -1.58 4.61 0.00 -1.26 -4.83 120.51 114.99 2r17 n ALA 138 Ca -0.19 0.41 -0.38 0.00 0.00 0.00 0.00 53.44 53.29 2r17 n ALA 138 Cb 0.65 -2.07 0.05 0.00 0.00 0.00 0.00 19.45 18.08 2r17 n ALA 138 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2r17 n TYR 139 N 0.80 0.47 -3.34 0.00 4.19 -1.26 -4.94 117.16 113.07 2r17 n TYR 139 Ca 0.11 0.43 -0.03 0.00 3.31 0.00 0.00 57.90 61.73 2r17 n TYR 139 Cb 0.30 -2.09 -0.05 0.00 0.49 0.00 0.00 39.34 37.99 2r17 n TYR 139 CO 0.00 0.00 0.00 1.21 0.91 0.00 0.00 176.86 178.98 2r17 s ASN 140 N -1.26 -0.65 0.54 2.98 3.84 -1.26 -5.05 114.94 114.08 2r17 s ASN 140 Ca 0.75 0.74 0.40 0.00 0.21 0.00 0.00 52.86 54.96 2r17 s ASN 140 Cb -0.42 1.71 1.59 0.00 -0.55 0.00 0.00 41.25 43.58 2r17 s ASN 140 CO 0.48 -0.27 1.72 0.00 -2.79 0.00 0.00 177.10 176.25 2r17 h ALA 141 N 8.09 3.31 0.00 1.71 0.00 -1.99 -1.19 119.26 129.18 2r17 h ALA 141 Ca -0.20 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 2r17 h ALA 141 Cb 1.15 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2r17 h ALA 141 CO 0.23 -1.73 -0.41 -0.07 0.00 0.00 0.00 179.25 177.27 2r17 h LEU 142 N 0.02 0.00 -7.35 0.00 3.38 -1.96 -3.42 115.31 105.98 2r17 h LEU 142 Ca 0.69 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 58.09 2r17 h LEU 142 Cb 2.72 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 43.08 2r17 h LEU 142 CO -0.04 0.41 -0.77 -0.70 0.09 0.00 0.00 178.44 177.44 2r17 s GLU 143 N -3.07 0.97 0.11 1.13 2.56 -0.45 -5.00 118.70 114.94 2r17 s GLU 143 Ca 0.04 -0.85 0.12 0.00 0.00 0.00 0.00 54.97 54.27 2r17 s GLU 143 Cb 0.08 -2.24 0.55 0.00 2.00 0.00 0.00 34.13 34.52 2r17 s GLU 143 CO 0.72 -0.76 1.36 0.25 -0.56 0.00 0.00 175.26 176.28 2r17 n THR 144 N 4.85 1.38 -3.70 -1.70 -2.24 -1.26 -4.16 114.28 107.45 2r17 n THR 144 Ca -0.07 0.46 -0.30 0.00 -2.27 0.00 0.00 64.05 61.87 2r17 n THR 144 Cb 0.44 -1.39 -0.13 0.00 -2.10 0.00 0.00 70.33 67.15 2r17 n THR 144 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2r17 s ASN 145 N -3.41 3.66 0.00 3.42 3.84 -1.26 -5.07 114.94 116.11 2r17 s ASN 145 Ca 0.02 -2.49 -0.09 0.00 0.21 0.00 0.00 52.86 50.50 2r17 s ASN 145 Cb 0.05 -0.99 -0.05 0.00 -0.55 0.00 0.00 41.25 39.71 2r17 s ASN 145 CO 0.16 -0.29 0.31 -0.63 -2.79 0.00 0.00 177.10 173.87 2r17 s ILE 146 N 0.53 5.22 -0.23 -5.21 -1.09 -1.26 -5.09 121.20 114.07 2r17 s ILE 146 Ca 0.17 0.41 -0.00 0.00 -2.23 0.00 0.00 60.65 59.00 2r17 s ILE 146 Cb -0.24 -3.60 0.03 0.00 -1.58 0.00 0.00 42.46 37.08 2r17 s ILE 146 CO -0.02 0.44 -0.10 -0.63 -1.23 0.00 0.00 174.94 173.40 2r17 s ILE 147 N -1.22 2.59 0.71 2.92 1.01 -1.26 -4.92 121.20 121.02 2r17 s ILE 147 Ca 0.26 -1.08 -0.17 0.00 0.00 0.00 0.00 60.65 59.67 2r17 s ILE 147 Cb -0.14 -2.29 -0.07 0.00 0.01 0.00 0.00 42.46 39.97 2r17 s ILE 147 CO 0.14 0.26 0.26 -2.65 0.00 0.00 0.00 174.94 172.95 2r17 n PRO 148 N 4.62 0.21 0.00 2.79 -0.02 -1.26 -4.61 135.00 136.73 2r17 n PRO 148 Ca -0.17 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 2r17 n PRO 148 Cb 0.47 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 2r17 n PRO 148 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2r17 n SER 149 N 0.64 0.00 -2.56 2.55 3.41 -0.69 -2.20 113.62 114.76 2r17 n SER 149 Ca 0.08 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.57 2r17 n SER 149 Cb 0.50 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.42 2r17 n SER 149 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 2r17 n PHE 150 N -0.39 -1.05 -3.66 7.33 1.16 -0.90 -2.27 117.46 117.69 2r17 n PHE 150 Ca 0.00 -1.88 -0.06 0.00 -1.87 0.00 0.00 57.45 53.64 2r17 n PHE 150 Cb 0.00 0.37 -0.07 0.00 -1.61 0.00 0.00 39.48 38.17 2r17 n PHE 150 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 2r17 s VAL 151 N -2.80 -0.44 0.47 1.97 1.01 -0.63 -1.12 120.40 118.87 2r17 s VAL 151 Ca 0.24 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.28 2r17 s VAL 151 Cb -0.00 -0.88 0.01 0.00 0.00 0.00 0.00 36.38 35.51 2r17 s VAL 151 CO 0.17 0.02 0.10 0.00 0.00 0.00 0.00 175.10 175.39 2r17 n LEU 152 N 4.86 0.00 -3.50 3.92 -0.00 -0.85 0.33 117.00 121.76 2r17 n LEU 152 Ca -0.16 -2.83 0.01 0.00 -0.00 0.00 0.00 56.01 53.02 2r17 n LEU 152 Cb 0.53 0.23 -0.03 0.00 -0.00 0.00 0.00 43.42 44.15 2r17 n LEU 152 CO -0.01 -0.45 0.34 -0.62 -0.00 0.00 0.00 177.39 176.65 2r17 s ASP 154 N -3.65 -1.03 -0.24 1.45 -1.08 0.27 -1.07 116.67 111.31 2r17 s ASP 154 Ca 0.07 1.25 -0.08 0.00 -0.52 0.00 0.00 52.55 53.28 2r17 s ASP 154 Cb -0.01 2.11 -0.03 0.00 -1.46 0.00 0.00 42.92 43.53 2r17 s ASP 154 CO 0.05 -0.20 0.09 -0.63 0.52 0.00 0.00 175.17 175.00 2r17 s ILE 155 N 2.79 4.56 -0.06 4.11 1.01 -1.26 -1.83 121.20 130.51 2r17 s ILE 155 Ca -0.01 -0.09 -0.05 0.00 0.00 0.00 0.00 60.65 60.49 2r17 s ILE 155 Cb -0.11 -3.12 -0.02 0.00 0.01 0.00 0.00 42.46 39.22 2r17 s ILE 155 CO -0.19 0.35 -0.10 1.67 0.00 0.00 0.00 174.94 176.67 2r17 n GLN 156 N 4.70 0.20 -3.17 2.79 0.00 -1.10 -4.66 117.38 116.13 2r17 n GLN 156 Ca -0.16 0.24 0.05 0.00 -0.00 0.00 0.00 57.00 57.13 2r17 n GLN 156 Cb 0.52 -1.02 -0.02 0.00 0.00 0.00 0.00 30.24 29.72 2r17 n GLN 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2r17 s ALA 157 N -2.92 -3.27 -1.49 1.69 0.00 -1.26 -4.94 121.76 109.56 2r17 s ALA 157 Ca -0.08 1.54 -0.11 0.00 0.00 0.00 0.00 51.96 53.30 2r17 s ALA 157 Cb 0.01 -2.42 0.07 0.00 0.00 0.00 0.00 23.12 20.78 2r17 s ALA 157 CO 0.12 -1.39 0.92 0.43 0.00 0.00 0.00 175.76 175.85 2r17 n SER 158 N 5.40 -4.03 -3.51 0.00 7.64 -1.26 -4.93 113.62 112.94 2r17 n SER 158 Ca -0.07 -0.80 -0.00 0.00 1.01 0.00 0.00 58.87 59.01 2r17 n SER 158 Cb 0.53 -3.87 -0.05 0.00 -1.01 0.00 0.00 64.21 59.81 2r17 n SER 158 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2r17 s THR 159 N -3.38 -0.36 0.06 0.44 2.01 -1.26 -3.67 115.64 109.48 2r17 s THR 159 Ca 0.53 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.61 2r17 s THR 159 Cb -0.27 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.21 2r17 s THR 159 CO 0.83 0.00 -0.21 0.54 -0.69 0.00 0.00 174.62 175.09 2r17 s VAL 160 N 2.10 1.67 -0.21 3.82 0.11 0.42 -2.72 120.40 125.59 2r17 s VAL 160 Ca -0.05 -1.32 -0.01 0.00 -2.93 0.00 0.00 61.98 57.68 2r17 s VAL 160 Cb -0.06 -1.48 0.06 0.00 -1.53 0.00 0.00 36.38 33.37 2r17 s VAL 160 CO -0.17 0.11 -0.03 -0.69 -3.33 0.00 0.00 175.10 170.99 2r17 s VAL 161 N -0.93 1.15 -0.24 2.04 1.01 -0.76 -0.21 120.40 122.47 2r17 s VAL 161 Ca 0.07 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 61.06 2r17 s VAL 161 Cb -0.09 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 2r17 s VAL 161 CO 0.03 -0.07 0.14 0.42 0.00 0.00 0.00 175.10 175.61 2r17 s THR 162 N 1.58 5.17 -0.30 3.92 -4.23 0.55 -0.57 115.64 121.76 2r17 s THR 162 Ca -0.03 0.11 -0.13 0.00 -1.18 0.00 0.00 61.69 60.47 2r17 s THR 162 Cb -0.17 -3.41 -0.04 0.00 1.34 0.00 0.00 72.50 70.22 2r17 s THR 162 CO -0.07 0.35 0.26 -0.31 -0.54 0.00 0.00 174.62 174.31 2r17 s TYR 163 N 1.11 3.23 -0.22 3.99 2.02 -0.23 -2.52 117.35 124.72 2r17 s TYR 163 Ca 0.07 0.10 -0.15 0.00 -0.37 0.00 0.00 57.07 56.72 2r17 s TYR 163 Cb -0.14 -2.48 -0.04 0.00 -0.40 0.00 0.00 41.96 38.90 2r17 s TYR 163 CO 0.05 -0.25 0.36 0.54 -1.57 0.00 0.00 175.55 174.67 2r17 s VAL 164 N 1.86 5.22 -0.43 0.71 0.11 -0.83 -2.00 120.40 125.04 2r17 s VAL 164 Ca 0.09 0.60 -0.10 0.00 -2.93 0.00 0.00 61.98 59.64 2r17 s VAL 164 Cb -0.16 -3.69 0.07 0.00 -1.53 0.00 0.00 36.38 31.07 2r17 s VAL 164 CO 0.11 0.25 0.28 -0.31 -3.33 0.00 0.00 175.10 172.10 2r17 s TYR 165 N 1.42 3.32 0.09 1.54 2.02 -0.27 -2.74 117.35 122.72 2r17 s TYR 165 Ca 0.16 -1.39 0.03 0.00 -0.37 0.00 0.00 57.07 55.51 2r17 s TYR 165 Cb -0.15 -2.97 -0.04 0.00 -0.40 0.00 0.00 41.96 38.40 2r17 s TYR 165 CO 0.08 -0.83 0.08 -0.65 -1.57 0.00 0.00 175.55 172.66 2r17 s GLN 166 N 1.47 2.89 -0.82 -0.62 -0.21 -1.08 -2.11 119.66 119.19 2r17 s GLN 166 Ca 0.03 -0.70 -0.01 0.00 0.02 0.00 0.00 55.36 54.70 2r17 s GLN 166 Cb -0.23 -2.73 0.20 0.00 1.00 0.00 0.00 33.01 31.26 2r17 s GLN 166 CO 0.03 0.56 0.68 -1.17 -2.12 0.00 0.00 175.29 173.27 2r17 s LEU 167 N -2.44 5.37 -0.23 2.90 2.96 -0.94 -2.44 118.68 123.86 2r17 s LEU 167 Ca 0.29 -3.62 -0.11 0.00 -0.22 0.00 0.00 54.13 50.47 2r17 s LEU 167 Cb -0.12 -1.85 -0.05 0.00 0.50 0.00 0.00 46.19 44.67 2r17 s LEU 167 CO 0.22 -0.19 0.19 -0.63 -1.32 0.00 0.00 176.35 174.62 2r17 s ILE 168 N -1.19 5.34 0.00 6.68 1.01 -1.22 -4.50 121.20 127.32 2r17 s ILE 168 Ca 0.25 0.24 0.00 0.00 0.00 0.00 0.00 60.65 61.15 2r17 s ILE 168 Cb -0.09 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.86 2r17 s ILE 168 CO -0.12 0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.77 2r17 n GLY 169 N 4.22 2.51 0.10 6.18 0.00 -1.26 -3.76 105.19 113.18 2r17 n GLY 169 Ca -0.14 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 2r17 n GLY 169 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2r17 n ASP 170 N 6.55 1.93 -4.62 1.61 8.00 -1.26 -4.99 116.55 123.76 2r17 n ASP 170 Ca 0.00 0.35 -0.31 0.00 0.71 0.00 0.00 54.79 55.55 2r17 n ASP 170 Cb 0.00 -0.76 0.18 0.00 -0.02 0.00 0.00 41.12 40.51 2r17 n ASP 170 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2r17 n ASP 171 N -4.44 -0.10 -4.25 -2.24 8.00 -1.25 -4.97 116.55 107.30 2r17 n ASP 171 Ca -0.20 0.33 -0.41 0.00 0.71 0.00 0.00 54.79 55.22 2r17 n ASP 171 Cb 0.56 -1.43 -0.09 0.00 -0.02 0.00 0.00 41.12 40.15 2r17 n ASP 171 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2r17 s VAL 172 N -2.59 4.31 0.71 2.53 1.01 -1.26 -3.41 120.40 121.71 2r17 s VAL 172 Ca 0.66 -1.56 -0.11 0.00 0.00 0.00 0.00 61.98 60.98 2r17 s VAL 172 Cb -0.23 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.44 2r17 s VAL 172 CO 0.60 -0.64 1.07 -0.54 0.00 0.00 0.00 175.10 175.58 2r17 s LYS 173 N 1.42 2.77 0.08 2.72 1.02 -1.02 -4.91 119.74 121.81 2r17 s LYS 173 Ca 0.04 0.97 -0.01 0.00 0.02 0.00 0.00 55.97 56.99 2r17 s LYS 173 Cb -0.25 -1.97 -0.04 0.00 -0.52 0.00 0.00 37.83 35.05 2r17 s LYS 173 CO 0.01 -1.22 -0.00 0.08 -0.92 0.00 0.00 175.35 173.30 2r17 s VAL 174 N -3.03 0.21 -0.12 3.17 1.01 -1.26 -2.62 120.40 117.76 2r17 s VAL 174 Ca 0.59 -1.85 -0.13 0.00 0.00 0.00 0.00 61.98 60.58 2r17 s VAL 174 Cb -0.15 -1.71 0.03 0.00 0.00 0.00 0.00 36.38 34.56 2r17 s VAL 174 CO 0.55 -0.81 0.36 -0.70 0.00 0.00 0.00 175.10 174.50 2r17 s GLU 175 N -3.96 0.46 -0.03 2.72 2.12 -1.11 -5.01 118.70 113.90 2r17 s GLU 175 Ca 0.13 0.43 0.01 0.00 0.36 0.00 0.00 54.97 55.90 2r17 s GLU 175 Cb 0.08 0.22 -0.03 0.00 0.26 0.00 0.00 34.13 34.66 2r17 s GLU 175 CO -0.06 -0.07 -0.02 0.50 -0.54 0.00 0.00 175.26 175.07 2r17 s ARG 176 N 0.00 2.77 -0.12 4.30 3.52 -1.26 -1.96 118.95 126.21 2r17 s ARG 176 Ca -0.02 -0.58 -0.05 0.00 -0.13 0.00 0.00 55.73 54.95 2r17 s ARG 176 Cb -0.03 -2.65 0.05 0.00 -1.56 0.00 0.00 34.95 30.77 2r17 s ARG 176 CO 0.01 0.64 0.26 0.42 -0.81 0.00 0.00 175.30 175.82 2r17 s ILE 177 N -0.98 -0.13 0.02 4.11 -1.09 -1.05 -5.02 121.20 117.06 2r17 s ILE 177 Ca 0.17 0.18 0.05 0.00 -2.23 0.00 0.00 60.65 58.81 2r17 s ILE 177 Cb -0.11 -0.41 -0.03 0.00 -1.58 0.00 0.00 42.46 40.32 2r17 s ILE 177 CO 0.07 0.07 -0.12 -1.83 -1.23 0.00 0.00 174.94 171.89 2r17 s GLU 178 N 1.54 2.33 -0.01 2.79 -1.05 -1.26 -0.33 118.70 122.71 2r17 s GLU 178 Ca -0.07 -0.84 -0.02 0.00 -0.15 0.00 0.00 54.97 53.89 2r17 s GLU 178 Cb -0.11 -2.35 0.00 0.00 -0.44 0.00 0.00 34.13 31.24 2r17 s GLU 178 CO -0.09 0.57 0.05 -0.47 0.95 0.00 0.00 175.26 176.27 2r17 s TYR 179 N -0.94 0.01 -0.01 4.83 5.04 0.71 -5.00 117.35 121.98 2r17 s TYR 179 Ca 0.16 -0.00 0.00 0.00 -2.44 0.00 0.00 57.07 54.79 2r17 s TYR 179 Cb -0.11 -0.02 0.01 0.00 0.35 0.00 0.00 41.96 42.19 2r17 s TYR 179 CO 0.06 -0.08 -0.01 -1.59 -1.34 0.00 0.00 175.55 172.59 2r17 s LYS 180 N -0.37 0.19 0.42 4.97 -2.85 -1.26 0.16 119.74 121.00 2r17 s LYS 180 Ca -0.04 0.01 -0.19 0.00 -1.00 0.00 0.00 55.97 54.75 2r17 s LYS 180 Cb -0.03 -0.29 -0.15 0.00 -2.06 0.00 0.00 37.83 35.31 2r17 s LYS 180 CO 0.00 -0.05 0.01 1.63 0.10 0.00 0.00 175.35 177.04 2r17 n LYS 181 N 3.57 0.00 0.00 1.78 5.02 -1.24 -4.98 118.16 122.31 2r17 n LYS 181 Ca -0.20 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.15 2r17 n LYS 181 Cb 0.55 -0.96 0.31 0.00 -0.02 0.00 0.00 35.03 34.90 2r17 n LYS 181 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53