#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a17 s PRO 20 N 0.00 1.12 0.76 0.58 0.02 -1.26 -5.08 135.00 131.14 1a17 s PRO 20 Ca 0.00 -0.07 -0.15 0.00 0.02 0.00 0.00 61.00 60.81 1a17 s PRO 20 Cb 0.00 -1.87 0.06 0.00 0.02 0.00 0.00 34.50 32.71 1a17 s PRO 20 CO 0.00 -2.15 1.22 0.00 -0.33 0.00 0.00 177.00 175.75 1a17 s ALA 21 N -3.61 2.01 0.65 -1.55 0.00 -1.26 -4.69 121.76 113.30 1a17 s ALA 21 Ca 0.67 0.92 0.29 0.00 0.00 0.00 0.00 51.96 53.84 1a17 s ALA 21 Cb -0.09 -3.50 1.55 0.00 0.00 0.00 0.00 23.12 21.08 1a17 s ALA 21 CO 0.52 -2.06 1.89 -0.44 0.00 0.00 0.00 175.76 175.66 1a17 h ASP 22 N -0.49 0.00 -0.03 0.00 5.19 -1.99 0.15 116.42 119.25 1a17 h ASP 22 Ca -0.47 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 55.73 1a17 h ASP 22 Cb 1.30 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.82 1a17 h ASP 22 CO 0.48 0.00 -0.75 1.23 -3.12 0.00 0.00 179.24 177.08 1a17 h GLY 23 N 0.00 0.75 1.67 2.75 0.00 -2.00 -1.58 103.07 104.66 1a17 h GLY 23 Ca 0.05 -1.05 -0.20 0.00 0.00 0.00 0.00 47.33 46.14 1a17 h GLY 23 CO -0.00 0.93 -0.83 0.00 0.00 0.00 0.00 176.54 176.64 1a17 h ALA 24 N 0.68 0.53 -0.51 3.60 0.00 -1.05 -2.64 119.26 119.88 1a17 h ALA 24 Ca -0.04 -0.67 -0.03 0.00 0.00 0.00 0.00 54.91 54.16 1a17 h ALA 24 Cb 1.36 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1a17 h ALA 24 CO 0.15 0.83 0.18 -0.07 0.00 0.00 0.00 179.25 180.34 1a17 h LEU 25 N 0.19 0.73 -0.40 0.00 3.38 -1.32 -1.39 115.31 116.50 1a17 h LEU 25 Ca -0.05 -0.19 -0.18 0.00 0.09 0.00 0.00 57.88 57.56 1a17 h LEU 25 Cb 1.43 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 1a17 h LEU 25 CO 0.14 0.72 -0.64 0.50 0.09 0.00 0.00 178.44 179.24 1a17 h LYS 26 N 0.69 0.59 0.00 1.13 1.63 -1.29 -2.59 116.57 116.74 1a17 h LYS 26 Ca 0.17 -0.42 -0.10 0.00 -0.85 0.00 0.00 60.65 59.45 1a17 h LYS 26 Cb 0.23 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 1a17 h LYS 26 CO -0.01 1.04 -0.48 -0.09 -3.45 0.00 0.00 179.45 176.46 1a17 h ARG 27 N 0.43 0.00 -0.14 1.90 9.65 -1.43 -2.87 114.38 121.91 1a17 h ARG 27 Ca -0.01 0.00 -0.16 0.00 -1.10 0.00 0.00 59.98 58.70 1a17 h ARG 27 Cb 1.22 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.79 1a17 h ARG 27 CO 0.12 0.48 -0.60 0.00 2.80 0.00 0.00 179.97 182.77 1a17 h ALA 28 N 1.52 0.69 0.00 2.80 0.00 -1.16 -2.14 119.26 120.98 1a17 h ALA 28 Ca -0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 1a17 h ALA 28 Cb 1.14 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1a17 h ALA 28 CO 0.06 0.71 -0.14 1.49 0.00 0.00 0.00 179.25 181.36 1a17 h GLU 29 N 0.36 0.00 0.04 0.00 4.57 -1.30 -1.77 114.58 116.48 1a17 h GLU 29 Ca -0.00 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 1a17 h GLU 29 Cb 1.14 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 1a17 h GLU 29 CO 0.11 0.14 -0.27 0.93 -1.18 0.00 0.00 179.01 178.74 1a17 h GLU 30 N 0.00 0.08 -0.99 1.92 5.08 -1.30 -3.05 114.58 116.32 1a17 h GLU 30 Ca -0.00 -0.13 0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1a17 h GLU 30 Cb 0.71 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.95 1a17 h GLU 30 CO 0.02 1.06 0.64 -0.07 -1.00 0.00 0.00 179.01 179.67 1a17 h LEU 31 N -0.83 1.05 -0.56 1.33 3.38 -1.38 0.22 115.31 118.52 1a17 h LEU 31 Ca -0.05 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1a17 h LEU 31 Cb 1.18 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 1a17 h LEU 31 CO 0.03 0.70 0.35 0.50 0.09 0.00 0.00 178.44 180.12 1a17 h LYS 32 N 1.21 0.69 -0.50 1.13 3.64 -1.42 0.19 116.57 121.52 1a17 h LYS 32 Ca 0.41 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.69 1a17 h LYS 32 Cb 0.07 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 1a17 h LYS 32 CO -0.14 0.46 0.10 1.15 -2.27 0.00 0.00 179.45 178.75 1a17 h THR 33 N 0.71 1.25 -0.56 1.00 2.02 -1.19 -0.31 112.91 115.83 1a17 h THR 33 Ca 0.21 -0.89 0.07 0.00 0.77 0.00 0.00 66.41 66.57 1a17 h THR 33 Cb -0.04 0.87 -0.06 0.00 -1.74 0.00 0.00 68.15 67.18 1a17 h THR 33 CO -0.07 0.32 0.24 1.56 0.37 0.00 0.00 175.52 177.94 1a17 h GLN 34 N 0.69 0.43 -0.33 6.66 4.20 0.20 -0.53 115.11 126.43 1a17 h GLN 34 Ca 0.15 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 1a17 h GLN 34 Cb 0.37 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 1a17 h GLN 34 CO 0.01 0.28 0.20 0.00 -0.67 0.00 0.00 178.83 178.65 1a17 h ALA 35 N 1.36 0.42 -0.94 3.87 0.00 -0.25 -1.80 119.26 121.92 1a17 h ALA 35 Ca 0.27 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.18 1a17 h ALA 35 Cb 0.28 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.87 1a17 h ALA 35 CO -0.25 -0.09 0.60 -0.91 0.00 0.00 0.00 179.25 178.61 1a17 h ASN 36 N 0.42 0.98 0.49 0.00 2.35 -0.02 0.43 115.58 120.23 1a17 h ASN 36 Ca 0.12 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 1a17 h ASN 36 Cb 0.01 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.17 1a17 h ASN 36 CO -0.02 0.64 -0.29 0.44 -1.65 0.00 0.00 177.43 176.55 1a17 h ASP 37 N 1.13 -0.73 -0.67 5.81 3.32 -0.74 0.50 116.42 125.03 1a17 h ASP 37 Ca 0.39 0.04 0.11 0.00 0.02 0.00 0.00 57.03 57.59 1a17 h ASP 37 Cb 0.10 0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 1a17 h ASP 37 CO -0.15 -0.47 0.45 1.88 -1.72 0.00 0.00 179.24 179.23 1a17 h TYR 38 N -0.74 0.52 0.44 4.55 0.05 -0.40 -1.88 116.97 119.51 1a17 h TYR 38 Ca -0.06 0.01 -0.02 0.00 0.05 0.00 0.00 58.73 58.72 1a17 h TYR 38 Cb 0.60 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 38.18 1a17 h TYR 38 CO -0.09 0.24 -0.21 0.35 -1.05 0.00 0.00 178.16 177.40 1a17 h PHE 39 N 0.48 -0.55 0.00 4.88 3.04 0.54 0.85 116.94 126.18 1a17 h PHE 39 Ca 0.31 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.25 1a17 h PHE 39 Cb 0.58 0.18 0.00 0.00 2.56 0.00 0.00 35.95 39.27 1a17 h PHE 39 CO -0.00 -0.23 0.00 0.87 -2.02 0.00 0.00 178.31 176.93 1a17 h LYS 40 N -0.89 0.00 -0.65 1.11 1.57 -0.41 0.55 116.57 117.85 1a17 h LYS 40 Ca -0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1a17 h LYS 40 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1a17 h LYS 40 CO 0.10 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.98 1a17 n ALA 41 N -1.96 3.14 -1.11 3.86 0.00 -0.75 -4.94 120.51 118.75 1a17 n ALA 41 Ca -0.02 -1.51 -0.04 0.00 0.00 0.00 0.00 53.44 51.86 1a17 n ALA 41 Cb 0.06 -1.04 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 1a17 n ALA 41 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1a17 n LYS 42 N 1.01 -1.43 -3.05 0.00 4.76 0.19 -4.92 118.16 114.72 1a17 n LYS 42 Ca 0.24 0.55 -0.44 0.00 -2.87 0.00 0.00 58.31 55.79 1a17 n LYS 42 Cb 0.88 -4.71 0.00 0.00 -1.84 0.00 0.00 35.03 29.36 1a17 n LYS 42 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1a17 n ASP 43 N -0.72 5.36 -0.15 4.39 2.03 0.28 -4.82 116.55 122.91 1a17 n ASP 43 Ca -0.04 -3.02 -0.09 0.00 0.52 0.00 0.00 54.79 52.16 1a17 n ASP 43 Cb 0.42 -1.49 -0.00 0.00 -0.72 0.00 0.00 41.12 39.32 1a17 n ASP 43 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 1a17 h TYR 44 N 6.85 0.67 -0.81 -0.67 0.05 -1.89 -1.14 116.97 120.03 1a17 h TYR 44 Ca 0.27 -0.06 0.16 0.00 0.05 0.00 0.00 58.73 59.16 1a17 h TYR 44 Cb 0.85 -0.20 -0.10 0.00 1.01 0.00 0.00 36.73 38.29 1a17 h TYR 44 CO 0.99 0.59 0.34 1.05 -1.05 0.00 0.00 178.16 180.07 1a17 h GLU 45 N 0.56 0.44 0.06 4.88 4.11 -1.95 0.23 114.58 122.91 1a17 h GLU 45 Ca 0.14 -0.03 -0.26 0.00 0.07 0.00 0.00 59.36 59.28 1a17 h GLU 45 Cb 0.21 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.38 1a17 h GLU 45 CO -0.01 0.29 -1.11 -0.91 0.07 0.00 0.00 179.01 177.34 1a17 h ASN 46 N 0.45 0.67 -0.97 3.06 2.35 -1.87 -2.48 115.58 116.78 1a17 h ASN 46 Ca 0.46 -0.59 0.03 0.00 -0.55 0.00 0.00 56.30 55.64 1a17 h ASN 46 Cb 0.75 -0.21 -0.05 0.00 0.05 0.00 0.00 38.32 38.85 1a17 h ASN 46 CO -0.44 1.41 0.64 0.00 -1.65 0.00 0.00 177.43 177.39 1a17 h ALA 47 N 0.53 1.34 -0.33 -0.83 0.00 -0.15 -0.89 119.26 118.93 1a17 h ALA 47 Ca -0.13 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1a17 h ALA 47 Cb 1.78 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1a17 h ALA 47 CO 0.20 0.58 -0.08 0.82 0.00 0.00 0.00 179.25 180.77 1a17 h ILE 48 N 1.26 1.28 -0.87 0.00 2.04 -1.01 -0.78 117.51 119.43 1a17 h ILE 48 Ca 0.37 -1.13 0.10 0.00 1.00 0.00 0.00 64.86 65.20 1a17 h ILE 48 Cb -0.06 1.34 -0.07 0.00 -0.74 0.00 0.00 36.82 37.29 1a17 h ILE 48 CO -0.10 0.37 0.52 0.50 0.00 0.00 0.00 178.15 179.43 1a17 h LYS 49 N 0.41 0.83 0.00 2.37 3.64 -0.92 -2.08 116.57 120.82 1a17 h LYS 49 Ca 0.08 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.23 1a17 h LYS 49 Cb 0.58 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 1a17 h LYS 49 CO 0.03 0.55 -1.10 0.74 -2.27 0.00 0.00 179.45 177.40 1a17 h PHE 50 N 0.86 0.00 -0.15 1.91 0.04 -0.98 -3.07 116.94 115.54 1a17 h PHE 50 Ca 0.42 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 61.09 1a17 h PHE 50 Cb 0.37 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 1a17 h PHE 50 CO -0.05 0.73 -0.33 1.88 -0.60 0.00 0.00 178.31 179.94 1a17 h TYR 51 N 0.00 0.36 -0.66 -0.55 0.05 -0.98 -2.74 116.97 112.44 1a17 h TYR 51 Ca -0.10 -0.08 -0.02 0.00 0.05 0.00 0.00 58.73 58.57 1a17 h TYR 51 Cb 1.65 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 39.27 1a17 h TYR 51 CO 0.00 0.61 0.32 0.77 -1.05 0.00 0.00 178.16 178.82 1a17 h SER 52 N 0.27 0.86 -0.58 3.88 0.02 -1.38 -1.15 113.55 115.47 1a17 h SER 52 Ca 0.03 -0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 60.77 1a17 h SER 52 Cb 0.72 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 1a17 h SER 52 CO 0.06 0.75 0.02 1.56 -1.14 0.00 0.00 176.83 178.07 1a17 h GLN 53 N 0.91 1.03 -0.27 3.45 4.20 -1.43 -0.28 115.11 122.73 1a17 h GLN 53 Ca 0.23 -0.31 -0.05 0.00 0.06 0.00 0.00 58.65 58.58 1a17 h GLN 53 Cb 0.11 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1a17 h GLN 53 CO -0.03 1.00 -0.06 0.00 -0.67 0.00 0.00 178.83 179.07 1a17 h ALA 54 N 1.06 1.40 -0.03 3.87 0.00 -1.25 -2.41 119.26 121.89 1a17 h ALA 54 Ca 0.18 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 1a17 h ALA 54 Cb 0.52 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1a17 h ALA 54 CO 0.03 0.42 -0.84 0.82 0.00 0.00 0.00 179.25 179.68 1a17 h ILE 55 N 0.41 1.41 -0.80 0.00 2.04 -0.51 -1.38 117.51 118.67 1a17 h ILE 55 Ca 0.08 -2.34 -0.01 0.00 1.00 0.00 0.00 64.86 63.60 1a17 h ILE 55 Cb 0.37 2.29 -0.04 0.00 -0.74 0.00 0.00 36.82 38.70 1a17 h ILE 55 CO 0.02 0.70 0.47 -0.33 0.00 0.00 0.00 178.15 179.00 1a17 h GLU 56 N 0.23 1.09 0.05 2.37 4.39 -0.59 -0.71 114.58 121.42 1a17 h GLU 56 Ca -0.05 -0.10 -0.26 0.00 0.34 0.00 0.00 59.36 59.29 1a17 h GLU 56 Cb 1.44 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 29.85 1a17 h GLU 56 CO 0.14 0.78 -1.29 -0.07 -1.16 0.00 0.00 179.01 177.40 1a17 h LEU 57 N 1.11 0.18 -6.05 1.33 3.38 -1.43 -3.39 115.31 110.43 1a17 h LEU 57 Ca 0.29 -0.22 -0.57 0.00 0.09 0.00 0.00 57.88 57.46 1a17 h LEU 57 Cb -0.02 -0.06 -0.40 0.00 0.09 0.00 0.00 40.66 40.27 1a17 h LEU 57 CO -0.05 1.18 -0.96 -3.20 0.09 0.00 0.00 178.44 175.50 1a17 n ASN 58 N -3.36 1.25 0.00 -0.43 2.85 -0.53 -4.67 115.26 110.37 1a17 n ASN 58 Ca -0.08 -2.92 0.01 0.00 -0.11 0.00 0.00 54.58 51.47 1a17 n ASN 58 Cb 1.00 -0.65 0.04 0.00 1.24 0.00 0.00 39.78 41.42 1a17 n ASN 58 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1a17 n PRO 59 N 1.22 0.07 -0.03 1.20 -0.04 -0.28 -2.36 135.00 134.77 1a17 n PRO 59 Ca 0.24 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.72 1a17 n PRO 59 Cb 0.50 -1.35 0.03 0.00 -0.04 0.00 0.00 33.50 32.64 1a17 n PRO 59 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1a17 n SER 60 N -0.85 1.87 -4.58 3.54 3.41 -1.26 -4.97 113.62 110.78 1a17 n SER 60 Ca 0.01 -2.18 -0.43 0.00 -0.26 0.00 0.00 58.87 56.02 1a17 n SER 60 Cb 0.01 -0.11 -0.05 0.00 -0.26 0.00 0.00 64.21 63.80 1a17 n SER 60 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1a17 s ASN 61 N -1.37 6.54 0.33 4.04 3.84 -1.00 -4.93 114.94 122.39 1a17 s ASN 61 Ca 0.08 0.25 0.03 0.00 0.21 0.00 0.00 52.86 53.43 1a17 s ASN 61 Cb 0.07 -2.42 0.58 0.00 -0.55 0.00 0.00 41.25 38.93 1a17 s ASN 61 CO 0.01 -0.86 1.90 0.00 -2.79 0.00 0.00 177.10 175.36 1a17 h ALA 62 N 8.71 1.39 -0.62 1.71 0.00 -1.92 -2.89 119.26 125.64 1a17 h ALA 62 Ca -0.24 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 1a17 h ALA 62 Cb 1.09 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1a17 h ALA 62 CO 0.96 0.45 0.23 0.82 0.00 0.00 0.00 179.25 181.70 1a17 h ILE 63 N 0.65 1.23 -0.76 0.00 5.03 -1.93 -0.59 117.51 121.14 1a17 h ILE 63 Ca 0.15 -0.74 0.01 0.00 -0.12 0.00 0.00 64.86 64.16 1a17 h ILE 63 Cb 0.21 0.51 -0.04 0.00 -3.03 0.00 0.00 36.82 34.46 1a17 h ILE 63 CO -0.01 0.29 0.50 1.88 -0.68 0.00 0.00 178.15 180.13 1a17 h TYR 64 N 0.91 0.96 -0.55 1.37 0.05 -1.91 0.18 116.97 117.97 1a17 h TYR 64 Ca 0.21 0.02 -0.12 0.00 0.05 0.00 0.00 58.73 58.89 1a17 h TYR 64 Cb 0.21 -0.32 -0.02 0.00 1.01 0.00 0.00 36.73 37.61 1a17 h TYR 64 CO 0.02 0.61 -0.11 1.88 -1.05 0.00 0.00 178.16 179.50 1a17 h TYR 65 N 1.03 1.16 -0.56 4.88 0.05 -1.54 0.36 116.97 122.35 1a17 h TYR 65 Ca 0.28 -0.24 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 1a17 h TYR 65 Cb -0.11 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 37.32 1a17 h TYR 65 CO -0.02 1.07 0.33 0.78 -1.05 0.00 0.00 178.16 179.27 1a17 h GLY 66 N 0.93 0.82 0.83 3.88 0.00 -0.08 0.24 103.07 109.69 1a17 h GLY 66 Ca 0.14 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 1a17 h GLY 66 CO 0.05 0.34 -0.05 3.43 0.00 0.00 0.00 176.54 180.31 1a17 h ASN 67 N 0.75 0.44 0.14 0.19 2.35 -0.38 -2.53 115.58 116.54 1a17 h ASN 67 Ca 0.20 -0.36 -0.06 0.00 -0.55 0.00 0.00 56.30 55.53 1a17 h ASN 67 Cb 0.01 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 1a17 h ASN 67 CO -0.04 0.70 -0.22 -0.09 -1.65 0.00 0.00 177.43 176.13 1a17 h ARG 68 N 0.17 0.16 -0.04 0.81 2.43 -0.70 -0.71 114.38 116.51 1a17 h ARG 68 Ca 0.06 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1a17 h ARG 68 Cb 0.50 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1a17 h ARG 68 CO 0.02 0.38 0.01 1.03 -1.51 0.00 0.00 179.97 179.91 1a17 h SER 69 N 0.15 0.01 -0.70 -3.80 0.87 -0.71 0.54 113.55 109.90 1a17 h SER 69 Ca 0.03 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1a17 h SER 69 Cb 0.48 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.41 1a17 h SER 69 CO 0.03 0.01 0.42 0.25 -0.53 0.00 0.00 176.83 177.02 1a17 h LEU 70 N 0.03 0.85 -1.87 2.23 5.85 -0.94 0.37 115.31 121.83 1a17 h LEU 70 Ca 0.02 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.72 1a17 h LEU 70 Cb 0.01 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 1a17 h LEU 70 CO -0.02 0.66 0.21 0.00 -0.34 0.00 0.00 178.44 178.96 1a17 h ALA 71 N 1.22 2.07 0.01 1.25 0.00 -0.65 -0.37 119.26 122.80 1a17 h ALA 71 Ca 0.25 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.95 1a17 h ALA 71 Cb -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1a17 h ALA 71 CO -0.05 -0.14 -0.91 1.88 0.00 0.00 0.00 179.25 180.03 1a17 h TYR 72 N 0.17 0.22 -0.47 0.00 0.05 0.19 -3.17 116.97 113.95 1a17 h TYR 72 Ca 0.14 -0.13 -0.13 0.00 0.05 0.00 0.00 58.73 58.66 1a17 h TYR 72 Cb 0.33 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 1a17 h TYR 72 CO -0.00 0.97 -0.20 -0.07 -1.05 0.00 0.00 178.16 177.81 1a17 h LEU 73 N 0.07 0.97 -1.92 3.88 3.38 0.65 -0.91 115.31 121.43 1a17 h LEU 73 Ca -0.04 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 1a17 h LEU 73 Cb 1.57 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 1a17 h LEU 73 CO 0.13 1.14 -0.10 0.03 0.09 0.00 0.00 178.44 179.73 1a17 h ARG 74 N 0.83 0.00 -0.46 1.13 2.47 -1.21 -2.32 114.38 114.81 1a17 h ARG 74 Ca 0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 1a17 h ARG 74 Cb 0.77 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.09 1a17 h ARG 74 CO 0.06 0.10 0.00 0.25 0.56 0.00 0.00 179.97 180.95 1a17 n THR 75 N -4.11 2.51 -1.98 2.04 -2.24 -1.16 -4.98 114.28 104.37 1a17 n THR 75 Ca -0.02 -1.56 -0.21 0.00 -2.27 0.00 0.00 64.05 59.98 1a17 n THR 75 Cb 0.19 -0.23 -0.05 0.00 -2.10 0.00 0.00 70.33 68.13 1a17 n THR 75 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1a17 n GLU 76 N 0.24 -1.56 -2.97 -0.78 1.02 -0.87 -4.94 120.64 110.79 1a17 n GLU 76 Ca 0.25 1.13 -0.44 0.00 -0.02 0.00 0.00 57.16 58.09 1a17 n GLU 76 Cb 1.06 -5.65 0.00 0.00 -0.02 0.00 0.00 31.44 26.83 1a17 n GLU 76 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1a17 h TYR 78 N 6.54 0.00 0.02 0.00 0.05 -1.92 -2.20 116.97 119.46 1a17 h TYR 78 Ca 0.28 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.79 1a17 h TYR 78 Cb 0.80 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.56 1a17 h TYR 78 CO 1.01 0.15 -1.06 0.78 -1.05 0.00 0.00 178.16 177.99 1a17 h GLY 79 N 0.90 0.75 0.83 3.88 0.00 -1.93 -2.60 103.07 104.90 1a17 h GLY 79 Ca -0.00 -1.37 -0.02 0.00 0.00 0.00 0.00 47.33 45.94 1a17 h GLY 79 CO 0.02 1.21 0.03 -0.97 0.00 0.00 0.00 176.54 176.82 1a17 h TYR 80 N 0.34 0.35 -0.83 5.60 0.05 -1.92 -1.92 116.97 118.64 1a17 h TYR 80 Ca -0.14 -0.05 0.07 0.00 0.05 0.00 0.00 58.73 58.66 1a17 h TYR 80 Cb 1.72 -0.10 -0.05 0.00 1.01 0.00 0.00 36.73 39.31 1a17 h TYR 80 CO 0.11 0.48 0.54 0.00 -1.05 0.00 0.00 178.16 178.25 1a17 h ALA 81 N 0.82 1.60 -0.24 3.88 0.00 -1.44 0.18 119.26 124.07 1a17 h ALA 81 Ca 0.06 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1a17 h ALA 81 Cb 0.33 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1a17 h ALA 81 CO 0.00 0.27 -0.20 1.25 0.00 0.00 0.00 179.25 180.58 1a17 h LEU 82 N 0.91 0.59 0.13 0.00 7.12 -1.42 -0.48 115.31 122.16 1a17 h LEU 82 Ca 0.36 -0.46 -0.01 0.00 0.13 0.00 0.00 57.88 57.91 1a17 h LEU 82 Cb 0.23 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 40.20 1a17 h LEU 82 CO -0.13 0.92 -0.06 1.23 -0.13 0.00 0.00 178.44 180.27 1a17 h GLY 83 N 0.26 -0.18 1.79 3.75 0.00 -0.45 -1.32 103.07 106.92 1a17 h GLY 83 Ca 0.04 0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.45 1a17 h GLY 83 CO 0.05 -0.07 0.12 -0.55 0.00 0.00 0.00 176.54 176.10 1a17 h ASP 84 N -0.21 0.18 -0.03 0.19 3.32 -0.66 -2.42 116.42 116.79 1a17 h ASP 84 Ca -0.02 -0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.83 1a17 h ASP 84 Cb 0.17 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1a17 h ASP 84 CO 0.03 0.13 -0.71 0.00 -1.72 0.00 0.00 179.24 176.96 1a17 h ALA 85 N 1.89 0.46 -0.37 3.45 0.00 -0.51 -2.67 119.26 121.51 1a17 h ALA 85 Ca 0.07 -0.58 -0.13 0.00 0.00 0.00 0.00 54.91 54.27 1a17 h ALA 85 Cb 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1a17 h ALA 85 CO -0.01 0.71 -0.29 1.15 0.00 0.00 0.00 179.25 180.81 1a17 h THR 86 N 0.47 1.28 -0.34 0.00 2.02 -0.99 -2.80 112.91 112.55 1a17 h THR 86 Ca -0.03 -1.43 -0.03 0.00 0.77 0.00 0.00 66.41 65.69 1a17 h THR 86 Cb 1.31 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 69.01 1a17 h THR 86 CO 0.14 0.47 0.09 -0.09 0.37 0.00 0.00 175.52 176.50 1a17 h ARG 87 N 0.66 0.54 -0.89 6.66 9.65 -1.46 -0.39 114.38 129.15 1a17 h ARG 87 Ca 0.08 -0.13 0.08 0.00 -1.10 0.00 0.00 59.98 58.92 1a17 h ARG 87 Cb 0.82 -0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 29.26 1a17 h ARG 87 CO 0.07 0.59 0.58 0.00 2.80 0.00 0.00 179.97 184.00 1a17 h ALA 88 N 0.93 1.59 0.00 2.80 0.00 -1.43 -0.64 119.26 122.51 1a17 h ALA 88 Ca 0.11 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1a17 h ALA 88 Cb 0.29 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1a17 h ALA 88 CO 0.00 0.24 -0.51 0.82 0.00 0.00 0.00 179.25 179.80 1a17 h ILE 89 N 0.93 0.94 -0.05 0.00 2.04 -1.20 -1.86 117.51 118.30 1a17 h ILE 89 Ca 0.40 -2.12 -0.15 0.00 1.00 0.00 0.00 64.86 63.99 1a17 h ILE 89 Cb 0.33 2.31 -0.01 0.00 -0.74 0.00 0.00 36.82 38.71 1a17 h ILE 89 CO -0.16 0.50 -0.65 -0.33 0.00 0.00 0.00 178.15 177.50 1a17 h GLU 90 N 0.00 0.21 0.25 2.37 5.08 0.28 -3.16 114.58 119.61 1a17 h GLU 90 Ca -0.01 -0.16 -0.34 0.00 -1.00 0.00 0.00 59.36 57.86 1a17 h GLU 90 Cb 1.27 0.03 0.04 0.00 0.50 0.00 0.00 28.75 30.59 1a17 h GLU 90 CO 0.07 0.79 -1.49 -0.07 -1.00 0.00 0.00 179.01 177.30 1a17 h LEU 91 N 0.15 0.82 -6.45 1.33 3.38 -1.11 -3.42 115.31 110.01 1a17 h LEU 91 Ca -0.01 -0.92 -0.50 0.00 0.09 0.00 0.00 57.88 56.54 1a17 h LEU 91 Cb 1.17 -0.27 -0.36 0.00 0.09 0.00 0.00 40.66 41.30 1a17 h LEU 91 CO 0.10 1.72 -0.80 -0.62 0.09 0.00 0.00 178.44 178.93 1a17 s ASP 92 N -7.55 2.09 0.60 -0.43 2.15 -0.71 -4.94 116.67 107.89 1a17 s ASP 92 Ca -0.10 -2.06 0.28 0.00 0.43 0.00 0.00 52.55 51.10 1a17 s ASP 92 Cb 0.04 -0.02 1.18 0.00 -0.30 0.00 0.00 42.92 43.82 1a17 s ASP 92 CO 0.94 -0.27 1.56 0.11 -0.17 0.00 0.00 175.17 177.34 1a17 h LYS 93 N 6.84 0.00 -0.38 4.34 1.79 -1.79 0.23 116.57 127.59 1a17 h LYS 93 Ca 0.08 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.35 1a17 h LYS 93 Cb 1.00 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.53 1a17 h LYS 93 CO 0.24 0.00 -0.05 1.63 -1.08 0.00 0.00 179.45 180.19 1a17 n LYS 94 N -3.43 1.85 -3.13 3.15 5.02 -1.26 -4.86 118.16 115.51 1a17 n LYS 94 Ca 0.17 -3.19 -0.45 0.00 -2.02 0.00 0.00 58.31 52.82 1a17 n LYS 94 Cb 1.15 -1.84 -0.05 0.00 -0.02 0.00 0.00 35.03 34.28 1a17 n LYS 94 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1a17 s TYR 95 N -3.26 3.01 0.18 2.13 5.04 0.07 -4.96 117.35 119.56 1a17 s TYR 95 Ca 0.45 -0.89 -0.20 0.00 -2.44 0.00 0.00 57.07 53.99 1a17 s TYR 95 Cb 0.41 -3.92 0.12 0.00 0.35 0.00 0.00 41.96 38.92 1a17 s TYR 95 CO -0.00 -1.24 1.61 0.82 -1.34 0.00 0.00 175.55 175.40 1a17 h ILE 96 N 5.91 0.29 -0.81 3.14 1.08 -1.89 -2.49 117.51 122.74 1a17 h ILE 96 Ca -0.29 0.00 0.24 0.00 -0.39 0.00 0.00 64.86 64.41 1a17 h ILE 96 Cb 1.09 0.29 -0.03 0.00 -3.07 0.00 0.00 36.82 35.10 1a17 h ILE 96 CO 1.07 0.00 0.68 0.11 -0.69 0.00 0.00 178.15 179.33 1a17 h LYS 97 N -0.15 0.00 -0.92 2.37 1.57 -1.99 0.43 116.57 117.87 1a17 h LYS 97 Ca 0.22 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1a17 h LYS 97 Cb 0.50 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 1a17 h LYS 97 CO -0.57 0.00 0.57 0.78 -0.57 0.00 0.00 179.45 179.66 1a17 h GLY 98 N 0.00 1.33 1.95 3.86 0.00 -1.78 0.30 103.07 108.72 1a17 h GLY 98 Ca 0.39 -0.54 -0.09 0.00 0.00 0.00 0.00 47.33 47.09 1a17 h GLY 98 CO -0.00 0.52 -0.43 -0.97 0.00 0.00 0.00 176.54 175.66 1a17 h TYR 99 N 1.27 0.06 0.06 5.60 0.05 -0.27 0.11 116.97 123.85 1a17 h TYR 99 Ca 0.33 -0.02 -0.28 0.00 0.05 0.00 0.00 58.73 58.82 1a17 h TYR 99 Cb -0.08 -0.01 0.02 0.00 1.01 0.00 0.00 36.73 37.67 1a17 h TYR 99 CO 0.00 0.47 -1.14 1.88 -1.05 0.00 0.00 178.16 178.33 1a17 h TYR 100 N 0.05 0.95 -0.37 4.88 0.05 -1.13 -1.50 116.97 119.90 1a17 h TYR 100 Ca 0.00 -0.56 -0.04 0.00 0.05 0.00 0.00 58.73 58.18 1a17 h TYR 100 Cb 0.77 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.41 1a17 h TYR 100 CO 0.00 1.40 0.07 0.00 -1.05 0.00 0.00 178.16 178.59 1a17 h ARG 101 N 0.30 0.60 -0.23 4.88 2.47 -0.27 0.45 114.38 122.58 1a17 h ARG 101 Ca -0.15 -0.15 -0.12 0.00 -1.26 0.00 0.00 59.98 58.29 1a17 h ARG 101 Cb 1.80 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 30.04 1a17 h ARG 101 CO 0.22 0.65 -0.38 -0.09 0.56 0.00 0.00 179.97 180.93 1a17 h ARG 102 N 0.45 0.51 0.02 0.04 2.43 -1.01 -1.18 114.38 115.64 1a17 h ARG 102 Ca 0.11 -0.24 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1a17 h ARG 102 Cb 0.34 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1a17 h ARG 102 CO 0.00 0.81 -0.01 0.00 -1.51 0.00 0.00 179.97 179.26 1a17 h ALA 103 N 1.17 -0.03 -0.95 2.80 0.00 -1.15 -2.25 119.26 118.86 1a17 h ALA 103 Ca 0.04 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.90 1a17 h ALA 103 Cb 0.85 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.58 1a17 h ALA 103 CO 0.07 -0.39 0.61 0.00 0.00 0.00 0.00 179.25 179.55 1a17 h ALA 104 N 0.69 1.52 -0.49 0.00 0.00 -0.78 -1.56 119.26 118.63 1a17 h ALA 104 Ca -0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1a17 h ALA 104 Cb 0.27 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1a17 h ALA 104 CO 0.00 0.31 -0.17 0.77 0.00 0.00 0.00 179.25 180.17 1a17 h SER 105 N 1.03 0.98 0.70 0.00 0.02 -1.12 -2.67 113.55 112.48 1a17 h SER 105 Ca 0.43 -0.35 -0.12 0.00 -0.84 0.00 0.00 61.79 60.92 1a17 h SER 105 Cb 0.30 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1a17 h SER 105 CO -0.18 1.13 -0.56 0.78 -1.14 0.00 0.00 176.83 176.86 1a17 h ASN 106 N 0.85 0.00 -0.20 3.07 2.35 -0.78 -1.27 115.58 119.60 1a17 h ASN 106 Ca 0.12 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.81 1a17 h ASN 106 Cb 0.73 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.09 1a17 h ASN 106 CO 0.06 0.56 -0.12 0.24 -1.65 0.00 0.00 177.43 176.51 1a17 h MET 107 N 0.00 0.43 -0.44 0.81 2.86 -1.22 0.53 114.93 117.90 1a17 h MET 107 Ca -0.01 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.42 1a17 h MET 107 Cb 1.05 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.68 1a17 h MET 107 CO 0.07 0.74 0.21 0.00 1.06 0.00 0.00 176.91 178.99 1a17 h ALA 108 N 0.68 1.53 -0.02 6.32 0.00 -1.44 0.14 119.26 126.48 1a17 h ALA 108 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1a17 h ALA 108 Cb 0.62 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1a17 h ALA 108 CO 0.03 0.37 0.00 1.28 0.00 0.00 0.00 179.25 180.94 1a17 n LEU 109 N -4.39 0.65 0.00 0.00 4.77 -0.49 -4.92 117.00 112.62 1a17 n LEU 109 Ca 0.03 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1a17 n LEU 109 Cb 0.12 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1a17 n LEU 109 CO 0.37 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1a17 n GLY 110 N 1.04 1.15 3.14 -0.72 0.00 0.50 -4.94 105.19 105.36 1a17 n GLY 110 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 1a17 n GLY 110 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1a17 n LYS 111 N -2.00 3.47 -0.30 1.61 5.02 0.18 -4.82 118.16 121.32 1a17 n LYS 111 Ca 0.00 -3.62 -0.05 0.00 -2.02 0.00 0.00 58.31 52.62 1a17 n LYS 111 Cb 0.00 -3.01 0.08 0.00 -0.02 0.00 0.00 35.03 32.08 1a17 n LYS 111 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1a17 h PHE 112 N 6.41 1.22 0.00 2.13 0.04 -1.88 -2.98 116.94 121.88 1a17 h PHE 112 Ca 0.37 -0.08 -0.11 0.00 2.80 0.00 0.00 57.97 60.95 1a17 h PHE 112 Cb 0.74 -0.37 -0.02 0.00 2.20 0.00 0.00 35.95 38.50 1a17 h PHE 112 CO 1.20 0.90 -0.52 0.00 -0.60 0.00 0.00 178.31 179.29 1a17 h ARG 113 N 1.19 0.00 -0.28 1.51 3.08 -1.94 -1.32 114.38 116.62 1a17 h ARG 113 Ca 0.28 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.24 1a17 h ARG 113 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1a17 h ARG 113 CO -0.03 0.52 -0.21 0.00 -1.07 0.00 0.00 179.97 179.18 1a17 h ALA 114 N 1.48 1.12 -0.24 0.04 0.00 -1.91 -2.55 119.26 117.20 1a17 h ALA 114 Ca -0.01 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 1a17 h ALA 114 Cb 0.95 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1a17 h ALA 114 CO 0.07 0.55 -0.25 0.00 0.00 0.00 0.00 179.25 179.61 1a17 h ALA 115 N 1.32 0.35 -0.66 0.00 0.00 -1.38 -3.09 119.26 115.80 1a17 h ALA 115 Ca 0.07 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.64 1a17 h ALA 115 Cb 0.62 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1a17 h ALA 115 CO 0.04 0.33 0.43 1.25 0.00 0.00 0.00 179.25 181.31 1a17 h LEU 116 N 0.29 0.67 -0.96 0.00 5.85 -1.13 -0.79 115.31 119.24 1a17 h LEU 116 Ca 0.04 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1a17 h LEU 116 Cb 0.81 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 1a17 h LEU 116 CO 0.06 0.46 0.63 0.03 -0.34 0.00 0.00 178.44 179.28 1a17 h ARG 117 N 0.78 1.21 -0.11 1.25 3.08 -1.37 -0.32 114.38 118.89 1a17 h ARG 117 Ca 0.26 -0.07 -0.19 0.00 0.07 0.00 0.00 59.98 60.06 1a17 h ARG 117 Cb 0.08 -0.27 0.01 0.00 0.08 0.00 0.00 29.97 29.87 1a17 h ARG 117 CO -0.07 0.80 -0.65 -0.44 -1.07 0.00 0.00 179.97 178.53 1a17 h ASP 118 N 1.24 0.77 -0.17 7.04 3.32 -1.20 -2.51 116.42 124.91 1a17 h ASP 118 Ca 0.37 -0.65 -0.02 0.00 0.02 0.00 0.00 57.03 56.75 1a17 h ASP 118 Cb -0.06 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 1a17 h ASP 118 CO -0.10 1.30 0.05 1.88 -1.72 0.00 0.00 179.24 180.65 1a17 h TYR 119 N 0.30 0.34 -0.14 4.55 0.05 -0.94 -1.89 116.97 119.24 1a17 h TYR 119 Ca -0.05 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.71 1a17 h TYR 119 Cb 1.30 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.92 1a17 h TYR 119 CO 0.10 0.32 0.04 1.49 -1.05 0.00 0.00 178.16 179.07 1a17 h GLU 120 N 0.34 0.23 -0.20 4.88 4.81 -0.96 -0.90 114.58 122.78 1a17 h GLU 120 Ca 0.08 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.32 1a17 h GLU 120 Cb 0.15 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.44 1a17 h GLU 120 CO -0.00 0.35 -0.18 1.15 -0.73 0.00 0.00 179.01 179.60 1a17 h THR 121 N 0.05 0.51 -0.64 0.32 2.02 -0.92 -0.49 112.91 113.77 1a17 h THR 121 Ca 0.05 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.24 1a17 h THR 121 Cb 0.22 0.51 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1a17 h THR 121 CO -0.00 0.00 0.42 0.58 0.37 0.00 0.00 175.52 176.89 1a17 h VAL 122 N -0.20 1.16 0.00 3.16 2.07 -1.23 -0.97 116.25 120.24 1a17 h VAL 122 Ca 0.12 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 1a17 h VAL 122 Cb 0.38 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1a17 h VAL 122 CO -0.31 0.16 -0.04 0.58 0.02 0.00 0.00 177.57 177.98 1a17 h VAL 123 N 0.86 0.98 -0.06 2.57 2.07 -0.35 -0.50 116.25 121.82 1a17 h VAL 123 Ca 0.24 -0.12 -0.17 0.00 0.82 0.00 0.00 66.70 67.46 1a17 h VAL 123 Cb -0.09 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1a17 h VAL 123 CO -0.06 0.04 -0.69 0.11 0.02 0.00 0.00 177.57 176.99 1a17 h LYS 124 N 0.00 0.29 0.00 1.57 1.57 0.27 -3.07 116.57 117.20 1a17 h LYS 124 Ca -0.00 -0.23 -0.17 0.00 -1.87 0.00 0.00 60.65 58.38 1a17 h LYS 124 Cb 0.07 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 1a17 h LYS 124 CO 0.00 0.87 -1.52 1.55 -0.57 0.00 0.00 179.45 179.78 1a17 n VAL 125 N -3.82 1.11 -3.32 0.50 3.14 -0.90 -4.33 118.33 110.70 1a17 n VAL 125 Ca -0.03 -0.69 -0.31 0.00 -2.96 0.00 0.00 64.34 60.36 1a17 n VAL 125 Cb 0.68 -0.65 -0.06 0.00 -1.06 0.00 0.00 33.84 32.75 1a17 n VAL 125 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1a17 n LYS 126 N -2.83 2.99 -0.11 1.45 5.02 -0.25 -4.93 118.16 119.51 1a17 n LYS 126 Ca -0.11 -4.66 0.15 0.00 -2.02 0.00 0.00 58.31 51.68 1a17 n LYS 126 Cb 0.84 -2.31 0.54 0.00 -0.02 0.00 0.00 35.03 34.07 1a17 n LYS 126 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1a17 h PRO 127 N 4.42 0.32 -0.52 1.97 0.13 -1.73 -1.97 132.00 134.62 1a17 h PRO 127 Ca 0.20 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1a17 h PRO 127 Cb 0.64 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.70 1a17 h PRO 127 CO 0.95 0.21 0.00 0.72 -0.23 0.00 0.00 178.00 179.65 1a17 n HIS 128 N -4.46 0.74 -2.61 1.56 8.25 -1.26 -4.85 115.22 112.59 1a17 n HIS 128 Ca 0.12 -0.51 -0.42 0.00 -0.26 0.00 0.00 57.72 56.64 1a17 n HIS 128 Cb 0.51 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.56 1a17 n HIS 128 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1a17 s ASP 129 N -1.02 6.49 0.55 0.41 2.15 -0.74 -4.80 116.67 119.71 1a17 s ASP 129 Ca 0.36 0.17 0.26 0.00 0.43 0.00 0.00 52.55 53.77 1a17 s ASP 129 Cb 0.19 -2.54 1.45 0.00 -0.30 0.00 0.00 42.92 41.72 1a17 s ASP 129 CO 0.23 -1.39 2.02 0.07 -0.17 0.00 0.00 175.17 175.93 1a17 h LYS 130 N 9.43 0.00 0.95 4.34 5.09 -1.88 -2.58 116.57 131.92 1a17 h LYS 130 Ca -0.24 0.00 -0.05 0.00 0.09 0.00 0.00 60.65 60.45 1a17 h LYS 130 Cb 1.06 0.00 0.01 0.00 0.10 0.00 0.00 32.23 33.40 1a17 h LYS 130 CO 1.16 0.00 -0.46 0.22 -2.09 0.00 0.00 179.45 178.28 1a17 h ASP 131 N 0.00 -1.08 -0.69 7.07 1.82 -1.95 -0.27 116.42 121.31 1a17 h ASP 131 Ca 0.19 0.04 0.15 0.00 -0.39 0.00 0.00 57.03 57.02 1a17 h ASP 131 Cb 0.84 0.28 -0.11 0.00 0.68 0.00 0.00 39.33 41.02 1a17 h ASP 131 CO -0.00 -0.77 0.13 0.00 -1.61 0.00 0.00 179.24 176.99 1a17 h ALA 132 N -1.22 0.85 -0.18 -0.78 0.00 -1.79 -1.23 119.26 114.90 1a17 h ALA 132 Ca -0.13 0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1a17 h ALA 132 Cb 0.98 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 1a17 h ALA 132 CO 0.21 -0.34 0.05 0.87 0.00 0.00 0.00 179.25 180.04 1a17 h LYS 133 N 0.24 0.13 -0.04 0.00 1.57 -1.35 -1.56 116.57 115.55 1a17 h LYS 133 Ca 0.38 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 59.18 1a17 h LYS 133 Cb 0.64 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 1a17 h LYS 133 CO -0.50 0.09 -0.09 1.98 -0.57 0.00 0.00 179.45 180.35 1a17 h MET 134 N 0.14 -0.14 -0.12 3.15 4.05 0.07 -1.09 114.93 120.99 1a17 h MET 134 Ca 0.08 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.52 1a17 h MET 134 Cb 0.06 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.87 1a17 h MET 134 CO -0.09 -0.09 0.03 0.87 0.23 0.00 0.00 176.91 177.86 1a17 h LYS 135 N -0.14 0.09 -0.28 0.39 1.57 -1.07 -0.81 116.57 116.31 1a17 h LYS 135 Ca 0.05 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1a17 h LYS 135 Cb 0.21 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1a17 h LYS 135 CO -0.13 0.06 0.14 -0.92 -0.57 0.00 0.00 179.45 178.04 1a17 h TYR 136 N 0.09 0.37 0.11 -1.35 3.20 -1.20 -1.42 116.97 116.77 1a17 h TYR 136 Ca 0.05 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 1a17 h TYR 136 Cb 0.04 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.19 1a17 h TYR 136 CO -0.11 0.27 -0.05 1.96 -1.64 0.00 0.00 178.16 178.59 1a17 h GLN 137 N 0.39 -0.14 -0.62 1.82 7.50 -0.50 0.14 115.11 123.70 1a17 h GLN 137 Ca 0.10 0.01 0.13 0.00 0.50 0.00 0.00 58.65 59.39 1a17 h GLN 137 Cb 0.03 0.03 -0.11 0.00 0.05 0.00 0.00 27.48 27.48 1a17 h GLN 137 CO -0.02 0.29 -0.06 1.49 -1.50 0.00 0.00 178.83 179.03 1a17 h GLU 138 N -0.63 0.06 -0.10 1.46 4.81 -0.93 -0.90 114.58 118.35 1a17 h GLU 138 Ca -0.02 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1a17 h GLU 138 Cb 0.49 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.86 1a17 h GLU 138 CO 0.02 0.04 -0.02 0.00 -0.73 0.00 0.00 179.01 178.33 1a17 h ASN 140 N -0.12 0.13 0.17 0.00 -1.24 -0.68 -1.36 115.58 112.47 1a17 h ASN 140 Ca 0.03 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.02 1a17 h ASN 140 Cb 0.41 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.43 1a17 h ASN 140 CO 0.01 0.13 -0.08 0.50 -1.29 0.00 0.00 177.43 176.70 1a17 h LYS 141 N 0.15 -0.22 -0.03 6.67 3.64 -0.78 -1.82 116.57 124.17 1a17 h LYS 141 Ca 0.04 0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1a17 h LYS 141 Cb 0.05 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1a17 h LYS 141 CO -0.00 0.02 0.03 0.82 -2.27 0.00 0.00 179.45 178.05 1a17 h ILE 142 N -0.45 0.71 -0.06 2.00 2.04 -0.23 0.14 117.51 121.66 1a17 h ILE 142 Ca -0.02 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.63 1a17 h ILE 142 Cb 0.35 0.98 -0.00 0.00 -0.74 0.00 0.00 36.82 37.41 1a17 h ILE 142 CO 0.04 0.00 -0.81 0.58 0.00 0.00 0.00 178.15 177.96 1a17 h VAL 143 N 0.00 1.38 0.06 1.67 2.07 -0.91 -2.84 116.25 117.67 1a17 h VAL 143 Ca 0.01 -2.23 -0.24 0.00 0.82 0.00 0.00 66.70 65.06 1a17 h VAL 143 Cb 0.06 2.21 -0.00 0.00 -1.52 0.00 0.00 31.29 32.04 1a17 h VAL 143 CO -0.00 0.67 -1.07 0.11 0.02 0.00 0.00 177.57 177.30 1a17 h LYS 144 N 0.29 0.24 0.00 1.57 1.57 -0.11 -3.07 116.57 117.05 1a17 h LYS 144 Ca -0.05 -0.33 -0.08 0.00 -1.87 0.00 0.00 60.65 58.32 1a17 h LYS 144 Cb 1.41 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.83 1a17 h LYS 144 CO 0.14 1.10 -0.37 1.96 -0.57 0.00 0.00 179.45 181.72 1a17 h GLN 145 N 0.10 0.00 -0.19 3.15 4.20 -0.87 -1.77 115.11 119.73 1a17 h GLN 145 Ca -0.09 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.51 1a17 h GLN 145 Cb 1.76 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.54 1a17 h GLN 145 CO 0.17 0.37 -0.33 -0.22 -0.67 0.00 0.00 178.83 178.15 1a17 h LYS 146 N 0.00 0.56 0.00 1.46 3.64 -1.51 -0.69 116.57 120.03 1a17 h LYS 146 Ca -0.00 -0.35 -0.06 0.00 -1.27 0.00 0.00 60.65 58.97 1a17 h LYS 146 Cb 0.71 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 1a17 h LYS 146 CO 0.05 0.96 -0.27 0.00 -2.27 0.00 0.00 179.45 177.92 1a17 h ALA 147 N 0.60 1.34 0.49 5.00 0.00 -1.42 -2.62 119.26 122.64 1a17 h ALA 147 Ca 0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1a17 h ALA 147 Cb 0.92 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1a17 h ALA 147 CO 0.08 0.34 -0.23 0.35 0.00 0.00 0.00 179.25 179.78 1a17 h PHE 148 N 0.00 -0.61 -0.75 0.00 3.04 -1.03 -2.28 116.94 115.31 1a17 h PHE 148 Ca -0.00 -0.01 0.18 0.00 3.98 0.00 0.00 57.97 62.11 1a17 h PHE 148 Cb 0.55 0.20 -0.04 0.00 2.56 0.00 0.00 35.95 39.22 1a17 h PHE 148 CO 0.00 -0.38 0.52 0.93 -2.02 0.00 0.00 178.31 177.36 1a17 h GLU 149 N -0.98 0.23 -0.26 1.11 4.39 -1.15 -1.09 114.58 116.82 1a17 h GLU 149 Ca -0.07 -0.01 -0.18 0.00 0.34 0.00 0.00 59.36 59.44 1a17 h GLU 149 Cb 0.50 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 1a17 h GLU 149 CO 0.11 0.15 -0.52 0.00 -1.16 0.00 0.00 179.01 177.59 1a17 h ARG 150 N 0.24 0.82 0.01 2.33 3.08 -1.49 -2.74 114.38 116.64 1a17 h ARG 150 Ca 0.37 -0.53 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 1a17 h ARG 150 Cb 1.11 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.22 1a17 h ARG 150 CO -0.08 1.16 -0.01 0.00 -1.07 0.00 0.00 179.97 179.97 1a17 h ALA 151 N 0.65 -0.02 -0.30 0.04 0.00 -0.61 -1.81 119.26 117.21 1a17 h ALA 151 Ca 0.01 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.88 1a17 h ALA 151 Cb 1.13 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 1a17 h ALA 151 CO 0.12 -0.41 -0.17 0.82 0.00 0.00 0.00 179.25 179.61 1a17 h ILE 152 N -0.23 0.50 -0.84 0.00 1.08 -1.42 0.31 117.51 116.92 1a17 h ILE 152 Ca -0.00 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.56 1a17 h ILE 152 Cb 0.22 0.50 -0.06 0.00 -3.07 0.00 0.00 36.82 34.41 1a17 h ILE 152 CO 0.00 0.00 0.55 0.00 -0.69 0.00 0.00 178.15 178.01 1a17 h ALA 153 N 1.07 1.70 0.00 1.87 0.00 -1.36 0.64 119.26 123.18 1a17 h ALA 153 Ca 0.16 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1a17 h ALA 153 Cb 0.37 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1a17 h ALA 153 CO -0.38 0.13 -0.55 0.78 0.00 0.00 0.00 179.25 179.23 1a17 h GLY 154 N 0.81 0.00 0.95 0.00 0.00 -0.15 -1.33 103.07 103.35 1a17 h GLY 154 Ca 0.39 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.55 1a17 h GLY 154 CO -0.16 0.00 -0.56 -0.55 0.00 0.00 0.00 176.54 175.27 1a17 h ASP 155 N 0.00 0.71 -0.66 0.19 3.32 0.33 -2.31 116.42 117.99 1a17 h ASP 155 Ca -0.01 -0.63 -0.08 0.00 0.02 0.00 0.00 57.03 56.33 1a17 h ASP 155 Cb 1.01 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.33 1a17 h ASP 155 CO 0.07 1.22 0.11 -0.08 -1.72 0.00 0.00 179.24 178.85 1a17 h GLU 156 N 0.24 1.09 -0.34 3.56 4.57 0.15 -2.10 114.58 121.75 1a17 h GLU 156 Ca -0.04 -0.29 -0.12 0.00 -1.18 0.00 0.00 59.36 57.73 1a17 h GLU 156 Cb 1.20 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.65 1a17 h GLU 156 CO 0.12 1.00 -0.28 1.25 -1.18 0.00 0.00 179.01 179.92 1a17 h HIS 157 N 1.01 0.82 -0.49 0.92 2.76 -1.27 -2.91 115.15 116.00 1a17 h HIS 157 Ca 0.20 -0.20 -0.05 0.00 -2.20 0.00 0.00 60.37 58.12 1a17 h HIS 157 Cb 0.44 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.19 1a17 h HIS 157 CO 0.03 0.91 0.10 -0.22 -1.30 0.00 0.00 177.93 177.46 1a17 h LYS 158 N 0.61 0.80 -0.90 5.26 3.64 -1.03 -1.70 116.57 123.25 1a17 h LYS 158 Ca 0.08 -0.20 0.05 0.00 -1.27 0.00 0.00 60.65 59.31 1a17 h LYS 158 Cb 0.79 -0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.45 1a17 h LYS 158 CO 0.06 0.78 0.57 0.00 -2.27 0.00 0.00 179.45 178.60 1a17 h ARG 159 N 0.68 1.03 -0.29 1.90 3.08 -1.35 -0.12 114.38 119.32 1a17 h ARG 159 Ca 0.15 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 60.01 1a17 h ARG 159 Cb 0.36 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1a17 h ARG 159 CO 0.00 0.68 -0.34 0.77 -1.07 0.00 0.00 179.97 180.02 1a17 h SER 160 N 1.06 0.66 -0.01 7.04 0.02 -1.27 -1.48 113.55 119.57 1a17 h SER 160 Ca 0.38 -0.27 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 1a17 h SER 160 Cb 0.12 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 1a17 h SER 160 CO -0.16 0.94 -0.00 0.58 -1.14 0.00 0.00 176.83 177.06 1a17 h VAL 161 N 0.53 1.31 -0.72 2.27 2.07 -0.41 -2.38 116.25 118.92 1a17 h VAL 161 Ca 0.06 -0.91 0.05 0.00 0.82 0.00 0.00 66.70 66.73 1a17 h VAL 161 Cb 0.84 1.91 -0.05 0.00 -1.52 0.00 0.00 31.29 32.47 1a17 h VAL 161 CO 0.07 0.24 0.42 0.58 0.02 0.00 0.00 177.57 178.90 1a17 h VAL 162 N -0.37 1.01 0.00 2.57 2.07 -1.05 0.56 116.25 121.04 1a17 h VAL 162 Ca 0.00 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 1a17 h VAL 162 Cb 0.39 0.16 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1a17 h VAL 162 CO 0.00 0.14 -0.13 0.44 0.02 0.00 0.00 177.57 178.04 1a17 h ASP 163 N 0.78 0.00 0.04 0.57 5.19 -1.21 -2.52 116.42 119.27 1a17 h ASP 163 Ca 0.31 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.72 1a17 h ASP 163 Cb 0.15 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.66 1a17 h ASP 163 CO -0.17 0.13 -0.12 -1.20 -3.12 0.00 0.00 179.24 174.76 1a17 n SER 164 N -4.35 1.84 -4.68 6.45 7.64 0.07 -4.95 113.62 115.64 1a17 n SER 164 Ca -0.03 -1.49 -0.42 0.00 1.01 0.00 0.00 58.87 57.94 1a17 n SER 164 Cb 0.20 0.09 -0.03 0.00 -1.01 0.00 0.00 64.21 63.47 1a17 n SER 164 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1a17 s LEU 165 N -2.17 4.40 -1.30 -3.43 1.43 -0.51 -4.89 118.68 112.20 1a17 s LEU 165 Ca 0.30 2.68 -0.17 0.00 -1.03 0.00 0.00 54.13 55.91 1a17 s LEU 165 Cb 0.20 -3.55 0.09 0.00 0.03 0.00 0.00 46.19 42.95 1a17 s LEU 165 CO 0.40 -1.00 1.75 -0.67 0.23 0.00 0.00 176.35 177.06 1a17 n ASP 166 N 6.27 4.87 0.12 2.29 2.03 -1.26 -4.64 116.55 126.22 1a17 n ASP 166 Ca 0.18 -2.93 -0.21 0.00 0.52 0.00 0.00 54.79 52.36 1a17 n ASP 166 Cb 0.39 -1.70 -0.14 0.00 -0.72 0.00 0.00 41.12 38.95 1a17 n ASP 166 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1a17 h ILE 167 N 5.19 1.36 -0.89 5.18 2.04 -1.97 -3.34 117.51 125.09 1a17 h ILE 167 Ca 0.44 -2.74 0.22 0.00 1.00 0.00 0.00 64.86 63.78 1a17 h ILE 167 Cb 0.84 2.89 -0.06 0.00 -0.74 0.00 0.00 36.82 39.75 1a17 h ILE 167 CO 1.48 0.82 0.60 -0.08 0.00 0.00 0.00 178.15 180.97 1a17 h GLU 168 N 0.16 0.25 -0.01 2.37 4.57 -2.01 0.26 114.58 120.17 1a17 h GLU 168 Ca -0.19 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 1a17 h GLU 168 Cb 2.01 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 30.54 1a17 h GLU 168 CO 0.24 0.16 -0.10 0.43 -1.18 0.00 0.00 179.01 178.56 1a17 n SER 169 N -4.43 0.84 -4.79 1.04 7.64 -1.25 -4.86 113.62 107.80 1a17 n SER 169 Ca 0.19 -0.96 -0.33 0.00 1.01 0.00 0.00 58.87 58.77 1a17 n SER 169 Cb 0.79 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 64.00 1a17 n SER 169 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1a17 s MET 170 N -2.29 3.35 -0.00 1.43 -1.94 0.92 -5.04 119.30 115.72 1a17 s MET 170 Ca 0.33 1.35 0.05 0.00 -1.71 0.00 0.00 55.69 55.71 1a17 s MET 170 Cb 0.20 -2.03 -0.01 0.00 2.01 0.00 0.00 34.83 35.00 1a17 s MET 170 CO 0.43 -0.81 -0.17 0.95 -0.01 0.00 0.00 175.02 175.42 1a17 s THR 171 N -2.19 1.31 0.59 2.05 -4.23 -1.26 -5.07 115.64 106.83 1a17 s THR 171 Ca 0.67 -0.76 -0.17 0.00 -1.18 0.00 0.00 61.69 60.24 1a17 s THR 171 Cb -0.18 -1.10 -0.04 0.00 1.34 0.00 0.00 72.50 72.52 1a17 s THR 171 CO 0.32 0.33 1.10 -0.51 -0.54 0.00 0.00 174.62 175.31 1a17 s ILE 172 N -0.45 3.41 -0.53 2.99 1.10 -1.26 -4.87 121.20 121.59 1a17 s ILE 172 Ca 0.06 0.75 -0.27 0.00 -0.51 0.00 0.00 60.65 60.68 1a17 s ILE 172 Cb -0.07 -3.27 -0.02 0.00 0.15 0.00 0.00 42.46 39.25 1a17 s ILE 172 CO -0.00 -0.31 1.87 -0.70 -2.11 0.00 0.00 174.94 173.69 1a17 s GLU 173 N -3.72 2.79 -1.10 3.50 2.56 -1.26 -4.86 118.70 116.61 1a17 s GLU 173 Ca 0.68 0.88 -0.05 0.00 0.00 0.00 0.00 54.97 56.48 1a17 s GLU 173 Cb -0.20 -4.35 0.29 0.00 2.00 0.00 0.00 34.13 31.88 1a17 s GLU 173 CO 0.33 -2.53 1.50 -0.25 -0.56 0.00 0.00 175.26 173.76 1a17 n ASP 174 N 12.27 6.25 -3.53 -1.70 8.00 -1.26 -4.88 116.55 131.70 1a17 n ASP 174 Ca 0.22 -3.36 -0.17 0.00 0.71 0.00 0.00 54.79 52.19 1a17 n ASP 174 Cb 0.51 -1.30 -0.06 0.00 -0.02 0.00 0.00 41.12 40.25 1a17 n ASP 174 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1a17 s GLU 175 N -2.37 1.00 0.48 -1.24 2.02 -1.26 -5.16 118.70 112.17 1a17 s GLU 175 Ca 0.32 0.26 -0.22 0.00 0.02 0.00 0.00 54.97 55.35 1a17 s GLU 175 Cb 0.04 0.47 -0.09 0.00 0.10 0.00 0.00 34.13 34.66 1a17 s GLU 175 CO 0.09 -0.31 0.90 0.98 0.02 0.00 0.00 175.26 176.94 1a17 n TYR 176 N 0.92 0.73 -1.56 1.61 9.36 -1.26 -5.24 117.16 121.71 1a17 n TYR 176 Ca -0.18 0.52 0.00 0.00 3.32 0.00 0.00 57.90 61.56 1a17 n TYR 176 Cb 0.57 -2.16 0.00 0.00 -0.63 0.00 0.00 39.34 37.13 1a17 n TYR 176 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95