#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a18 n ASP 2 N 0.00 0.00 0.19 0.00 9.92 -1.26 -2.86 116.55 122.54 1a18 n ASP 2 Ca 0.00 0.30 0.13 0.00 -0.53 0.00 0.00 54.79 54.69 1a18 n ASP 2 Cb 0.00 -0.43 0.35 0.00 -0.64 0.00 0.00 41.12 40.40 1a18 n ASP 2 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1a18 h ALA 3 N 2.97 1.00 0.00 2.24 0.00 -2.04 -3.23 119.26 120.20 1a18 h ALA 3 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a18 h ALA 3 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1a18 h ALA 3 CO 0.00 0.00 -1.25 1.19 0.00 0.00 0.00 179.25 179.19 1a18 n PHE 4 N -2.77 0.51 -1.70 0.00 3.72 -1.13 -4.96 117.46 111.13 1a18 n PHE 4 Ca 0.04 0.15 -0.44 0.00 -0.05 0.00 0.00 57.45 57.15 1a18 n PHE 4 Cb 0.44 -0.69 -0.03 0.00 -0.94 0.00 0.00 39.48 38.27 1a18 n PHE 4 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1a18 n VAL 5 N -2.35 0.56 0.00 -4.37 0.31 -1.22 -4.57 118.33 106.68 1a18 n VAL 5 Ca -0.00 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1a18 n VAL 5 Cb 0.52 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.71 1a18 n VAL 5 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a18 n GLY 6 N 2.82 1.01 3.53 2.92 0.00 -0.54 -4.97 105.19 109.96 1a18 n GLY 6 Ca 0.13 -1.93 -0.34 0.00 0.00 0.00 0.00 46.02 43.88 1a18 n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a18 s THR 7 N -1.57 3.87 0.00 2.61 2.01 -1.26 -1.40 115.64 119.90 1a18 s THR 7 Ca 0.00 -0.38 0.05 0.00 0.31 0.00 0.00 61.69 61.66 1a18 s THR 7 Cb 0.00 -2.66 -0.01 0.00 0.01 0.00 0.00 72.50 69.83 1a18 s THR 7 CO 0.00 0.53 -0.14 0.26 -0.69 0.00 0.00 174.62 174.57 1a18 s TRP 8 N 0.02 1.26 -0.05 4.92 0.52 -0.14 -1.42 118.94 124.05 1a18 s TRP 8 Ca 0.00 -0.27 -0.01 0.00 0.02 0.00 0.00 56.10 55.85 1a18 s TRP 8 Cb -0.13 -0.80 -0.03 0.00 -1.15 0.00 0.00 33.47 31.36 1a18 s TRP 8 CO 0.03 -0.00 0.00 0.15 0.02 0.00 0.00 176.95 177.14 1a18 s LYS 9 N -0.55 2.90 0.31 4.98 1.02 -0.27 -2.29 119.74 125.85 1a18 s LYS 9 Ca 0.05 -0.49 -0.29 0.00 0.02 0.00 0.00 55.97 55.26 1a18 s LYS 9 Cb -0.06 -2.74 -0.10 0.00 -0.52 0.00 0.00 37.83 34.41 1a18 s LYS 9 CO -0.00 0.67 1.20 -1.17 -0.92 0.00 0.00 175.35 175.13 1a18 s LEU 10 N -1.14 4.47 0.00 3.17 2.96 -1.19 -1.79 118.68 125.17 1a18 s LEU 10 Ca 0.16 2.46 0.00 0.00 -0.22 0.00 0.00 54.13 56.53 1a18 s LEU 10 Cb -0.11 -3.66 0.00 0.00 0.50 0.00 0.00 46.19 42.91 1a18 s LEU 10 CO 0.05 -0.35 0.00 0.55 -1.32 0.00 0.00 176.35 175.28 1a18 n VAL 11 N 0.94 0.00 -3.62 1.68 3.14 0.65 -4.93 118.33 116.19 1a18 n VAL 11 Ca -0.00 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.26 1a18 n VAL 11 Cb 0.44 -0.03 -0.05 0.00 -1.06 0.00 0.00 33.84 33.13 1a18 n VAL 11 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1a18 s SER 12 N -1.72 -0.31 -0.19 6.55 1.04 -1.17 -4.98 113.70 112.93 1a18 s SER 12 Ca 0.00 -0.11 -0.10 0.00 0.48 0.00 0.00 55.95 56.22 1a18 s SER 12 Cb 0.00 0.47 0.07 0.00 0.10 0.00 0.00 66.02 66.66 1a18 s SER 12 CO 0.00 -0.78 0.45 -0.55 0.98 0.00 0.00 173.24 173.34 1a18 s SER 13 N -2.41 -0.54 -0.03 7.02 0.15 -1.26 -2.27 113.70 114.35 1a18 s SER 13 Ca -0.01 1.00 0.01 0.00 0.70 0.00 0.00 55.95 57.65 1a18 s SER 13 Cb 0.00 0.95 0.02 0.00 -1.71 0.00 0.00 66.02 65.28 1a18 s SER 13 CO -0.07 -0.21 -0.05 -1.61 1.20 0.00 0.00 173.24 172.50 1a18 s GLU 14 N 1.63 0.75 -2.04 5.44 2.02 -0.25 -4.83 118.70 121.42 1a18 s GLU 14 Ca -0.08 -0.14 0.00 0.00 0.02 0.00 0.00 54.97 54.77 1a18 s GLU 14 Cb -0.09 -0.75 0.00 0.00 0.10 0.00 0.00 34.13 33.40 1a18 s GLU 14 CO -0.14 -0.02 0.00 0.09 0.02 0.00 0.00 175.26 175.21 1a18 n ASN 15 N 3.75 -5.69 -0.10 -0.19 3.02 -1.26 -1.26 115.26 113.53 1a18 n ASN 15 Ca -0.23 0.29 -0.11 0.00 -0.03 0.00 0.00 54.58 54.50 1a18 n ASN 15 Cb 0.52 -4.88 -0.03 0.00 -0.61 0.00 0.00 39.78 34.78 1a18 n ASN 15 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1a18 h PHE 16 N 0.00 0.61 -0.81 3.10 3.57 -1.88 -2.41 116.94 119.13 1a18 h PHE 16 Ca -0.46 -0.12 0.05 0.00 3.53 0.00 0.00 57.97 60.98 1a18 h PHE 16 Cb 1.36 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.89 1a18 h PHE 16 CO 0.57 0.72 0.50 0.22 -2.23 0.00 0.00 178.31 178.09 1a18 h ASP 17 N 0.33 0.79 -0.73 0.41 3.58 -1.93 0.13 116.42 119.00 1a18 h ASP 17 Ca 0.08 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.51 1a18 h ASP 17 Cb 0.50 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.36 1a18 h ASP 17 CO 0.02 0.52 0.33 0.44 -2.88 0.00 0.00 179.24 177.67 1a18 h ASP 18 N 0.92 0.96 0.11 2.28 3.32 -1.94 -0.73 116.42 121.35 1a18 h ASP 18 Ca 0.35 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 1a18 h ASP 18 Cb 0.13 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1a18 h ASP 18 CO -0.16 0.84 -0.05 0.22 -1.72 0.00 0.00 179.24 178.37 1a18 h TYR 19 N 1.02 -0.14 -0.80 4.55 3.20 -0.79 -2.08 116.97 121.94 1a18 h TYR 19 Ca 0.25 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.15 1a18 h TYR 19 Cb 0.14 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.41 1a18 h TYR 19 CO 0.01 0.05 0.50 0.52 -1.64 0.00 0.00 178.16 177.60 1a18 h MET 20 N -0.30 0.94 -0.82 1.82 2.86 -0.86 -1.45 114.93 117.12 1a18 h MET 20 Ca -0.02 -0.06 0.06 0.00 -2.06 0.00 0.00 59.70 57.63 1a18 h MET 20 Cb 0.25 -0.21 -0.06 0.00 0.06 0.00 0.00 31.60 31.64 1a18 h MET 20 CO 0.02 0.62 0.50 -0.22 1.06 0.00 0.00 176.91 178.89 1a18 h LYS 21 N 0.97 0.89 -0.53 1.72 3.64 -1.02 -0.13 116.57 122.12 1a18 h LYS 21 Ca 0.33 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 59.60 1a18 h LYS 21 Cb 0.06 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1a18 h LYS 21 CO -0.13 0.59 0.10 0.93 -2.27 0.00 0.00 179.45 178.67 1a18 h GLU 22 N 0.91 0.86 0.00 1.90 4.39 -0.57 -2.04 114.58 120.04 1a18 h GLU 22 Ca 0.36 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1a18 h GLU 22 Cb 0.16 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1a18 h GLU 22 CO -0.17 0.84 0.00 1.33 -1.16 0.00 0.00 179.01 179.85 1a18 n VAL 23 N -4.40 0.93 -0.46 3.13 0.24 -0.74 -4.86 118.33 112.16 1a18 n VAL 23 Ca 0.02 0.23 0.00 0.00 -2.04 0.00 0.00 64.34 62.55 1a18 n VAL 23 Cb 0.25 -1.03 0.00 0.00 -1.47 0.00 0.00 33.84 31.59 1a18 n VAL 23 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1a18 n GLY 24 N 0.04 1.60 3.72 7.63 0.00 -0.77 -5.08 105.19 112.34 1a18 n GLY 24 Ca 0.03 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 1a18 n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a18 s VAL 25 N -2.01 4.56 0.46 1.61 1.01 -0.11 -5.01 120.40 120.91 1a18 s VAL 25 Ca 0.00 2.05 -0.25 0.00 0.00 0.00 0.00 61.98 63.77 1a18 s VAL 25 Cb 0.00 -4.31 -0.08 0.00 0.00 0.00 0.00 36.38 31.99 1a18 s VAL 25 CO 0.00 0.28 1.43 -0.83 0.00 0.00 0.00 175.10 175.98 1a18 s GLY 26 N 0.25 2.92 0.20 4.51 0.00 -1.26 -4.60 107.32 109.33 1a18 s GLY 26 Ca 0.48 1.47 -0.23 0.00 0.00 0.00 0.00 44.72 46.45 1a18 s GLY 26 CO 0.30 2.08 1.56 -2.75 0.00 0.00 0.00 173.10 174.28 1a18 h PHE 27 N 2.27 -1.29 0.53 1.90 3.04 -1.98 0.43 116.94 121.84 1a18 h PHE 27 Ca -0.51 0.10 -0.02 0.00 3.98 0.00 0.00 57.97 61.52 1a18 h PHE 27 Cb 1.27 0.69 -0.01 0.00 2.56 0.00 0.00 35.95 40.46 1a18 h PHE 27 CO 0.50 -0.40 -0.34 0.00 -2.02 0.00 0.00 178.31 176.04 1a18 h ALA 28 N 0.98 -0.85 -0.00 2.41 0.00 -2.01 -2.78 119.26 117.00 1a18 h ALA 28 Ca 0.26 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1a18 h ALA 28 Cb 0.55 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1a18 h ALA 28 CO -0.88 -1.00 -0.22 1.79 0.00 0.00 0.00 179.25 178.95 1a18 h THR 29 N -0.84 1.16 -0.56 0.00 1.35 -1.90 -2.33 112.91 109.79 1a18 h THR 29 Ca -0.06 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 1a18 h THR 29 Cb 0.69 1.40 -0.03 0.00 -1.73 0.00 0.00 68.15 68.48 1a18 h THR 29 CO 0.05 0.21 0.36 -0.09 -0.25 0.00 0.00 175.52 175.80 1a18 h ARG 30 N 0.00 0.74 0.02 4.72 2.43 -0.68 0.23 114.38 121.85 1a18 h ARG 30 Ca -0.00 -0.05 -0.27 0.00 -0.81 0.00 0.00 59.98 58.85 1a18 h ARG 30 Cb 0.38 -0.16 0.02 0.00 -0.42 0.00 0.00 29.97 29.79 1a18 h ARG 30 CO 0.03 0.51 -1.07 0.87 -1.51 0.00 0.00 179.97 178.79 1a18 h LYS 31 N 0.76 0.69 -0.19 0.20 1.79 -1.16 -2.10 116.57 116.56 1a18 h LYS 31 Ca 0.20 -0.77 -0.09 0.00 -2.18 0.00 0.00 60.65 57.81 1a18 h LYS 31 Cb -0.06 0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 1a18 h LYS 31 CO -0.04 1.34 -0.28 0.28 -1.08 0.00 0.00 179.45 179.67 1a18 h VAL 32 N 0.37 1.26 -0.24 0.50 2.07 -1.14 -2.37 116.25 116.70 1a18 h VAL 32 Ca -0.14 -1.26 -0.15 0.00 0.82 0.00 0.00 66.70 65.97 1a18 h VAL 32 Cb 1.73 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 32.92 1a18 h VAL 32 CO 0.21 0.39 -0.44 0.00 0.02 0.00 0.00 177.57 177.75 1a18 h ALA 33 N 1.38 0.38 0.00 1.67 0.00 -0.56 -3.19 119.26 118.94 1a18 h ALA 33 Ca 0.05 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1a18 h ALA 33 Cb 0.66 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1a18 h ALA 33 CO 0.05 0.51 -0.22 0.78 0.00 0.00 0.00 179.25 180.38 1a18 h GLY 34 N 0.45 0.00 0.97 0.00 0.00 -1.14 -2.36 103.07 100.98 1a18 h GLY 34 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1a18 h GLY 34 CO 0.10 0.00 -0.08 1.03 0.00 0.00 0.00 176.54 177.59 1a18 n MET 35 N -3.89 0.70 -3.19 4.80 2.81 -0.91 -4.87 117.12 112.57 1a18 n MET 35 Ca -0.02 -0.20 -0.38 0.00 -1.81 0.00 0.00 57.70 55.29 1a18 n MET 35 Cb 0.30 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.26 1a18 n MET 35 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a18 s ALA 36 N -2.44 3.52 -0.64 3.04 0.00 -0.89 -5.03 121.76 119.32 1a18 s ALA 36 Ca 0.30 0.11 0.05 0.00 0.00 0.00 0.00 51.96 52.42 1a18 s ALA 36 Cb 0.20 -2.73 0.16 0.00 0.00 0.00 0.00 23.12 20.76 1a18 s ALA 36 CO 0.46 0.37 0.43 0.15 0.00 0.00 0.00 175.76 177.17 1a18 s LYS 37 N -1.43 2.18 0.89 0.00 -0.14 -1.26 -5.05 119.74 114.92 1a18 s LYS 37 Ca 0.35 -3.05 -0.11 0.00 -1.36 0.00 0.00 55.97 51.79 1a18 s LYS 37 Cb -0.19 -3.15 0.13 0.00 -1.68 0.00 0.00 37.83 32.94 1a18 s LYS 37 CO 0.21 -1.27 1.10 -1.25 -0.76 0.00 0.00 175.35 173.38 1a18 s PRO 38 N -1.05 1.26 -0.49 -1.68 0.04 -1.26 -4.78 135.00 127.03 1a18 s PRO 38 Ca 0.24 1.14 0.03 0.00 0.04 0.00 0.00 61.00 62.46 1a18 s PRO 38 Cb -0.08 -1.78 0.13 0.00 0.04 0.00 0.00 34.50 32.81 1a18 s PRO 38 CO -0.14 -2.33 0.24 -0.80 0.04 0.00 0.00 177.00 174.01 1a18 s ASN 39 N -3.10 4.14 -0.06 6.66 -0.87 0.29 -3.16 114.94 118.84 1a18 s ASN 39 Ca 0.64 -2.86 -0.30 0.00 -1.57 0.00 0.00 52.86 48.77 1a18 s ASN 39 Cb -0.20 -1.46 -0.05 0.00 -0.02 0.00 0.00 41.25 39.53 1a18 s ASN 39 CO 0.58 -0.25 1.47 -0.32 -2.57 0.00 0.00 177.10 176.01 1a18 s MET 40 N -0.05 4.23 -0.33 -0.60 1.75 -0.97 -2.77 119.30 120.56 1a18 s MET 40 Ca 0.17 1.98 0.02 0.00 -1.25 0.00 0.00 55.69 56.61 1a18 s MET 40 Cb -0.25 -3.78 0.09 0.00 2.84 0.00 0.00 34.83 33.73 1a18 s MET 40 CO -0.00 -0.71 0.04 0.42 -0.65 0.00 0.00 175.02 174.11 1a18 s ILE 41 N 3.30 2.51 -0.01 10.11 1.01 0.31 -0.96 121.20 137.46 1a18 s ILE 41 Ca 0.65 -2.05 -0.15 0.00 0.00 0.00 0.00 60.65 59.10 1a18 s ILE 41 Cb -0.30 -2.71 -0.06 0.00 0.01 0.00 0.00 42.46 39.41 1a18 s ILE 41 CO 0.25 -0.45 0.41 -0.63 0.00 0.00 0.00 174.94 174.52 1a18 s ILE 42 N 1.02 5.04 0.09 2.92 1.01 -0.49 -0.80 121.20 129.99 1a18 s ILE 42 Ca 0.05 0.84 -0.11 0.00 0.00 0.00 0.00 60.65 61.43 1a18 s ILE 42 Cb -0.20 -3.72 0.01 0.00 0.01 0.00 0.00 42.46 38.56 1a18 s ILE 42 CO -0.06 0.56 0.24 -0.55 0.00 0.00 0.00 174.94 175.13 1a18 s SER 43 N -0.94 0.03 0.02 3.58 0.15 0.32 -1.47 113.70 115.38 1a18 s SER 43 Ca 0.24 -0.54 0.02 0.00 0.70 0.00 0.00 55.95 56.36 1a18 s SER 43 Cb -0.17 0.37 -0.01 0.00 -1.71 0.00 0.00 66.02 64.50 1a18 s SER 43 CO 0.13 -0.74 -0.06 -0.69 1.20 0.00 0.00 173.24 173.08 1a18 s VAL 44 N -3.71 0.46 -0.33 4.45 1.01 -1.26 -0.44 120.40 120.57 1a18 s VAL 44 Ca 0.03 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.45 1a18 s VAL 44 Cb 0.04 -0.46 0.15 0.00 0.00 0.00 0.00 36.38 36.11 1a18 s VAL 44 CO -0.10 -0.10 0.35 0.21 0.00 0.00 0.00 175.10 175.46 1a18 s ASN 45 N -0.74 1.25 0.96 3.32 3.84 -0.28 -5.01 114.94 118.28 1a18 s ASN 45 Ca -0.03 -1.12 0.00 0.00 0.21 0.00 0.00 52.86 51.92 1a18 s ASN 45 Cb -0.05 0.61 0.00 0.00 -0.55 0.00 0.00 41.25 41.26 1a18 s ASN 45 CO 0.00 -0.32 0.00 0.61 -2.79 0.00 0.00 177.10 174.60 1a18 n GLY 46 N 4.78 1.37 0.49 1.21 0.00 -1.26 -2.35 105.19 109.43 1a18 n GLY 46 Ca 0.05 -0.59 0.08 0.00 0.00 0.00 0.00 46.02 45.56 1a18 n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a18 n ASP 47 N 5.03 1.45 -4.45 1.61 5.75 -1.26 -4.81 116.55 119.87 1a18 n ASP 47 Ca 0.00 -1.82 -0.37 0.00 -0.01 0.00 0.00 54.79 52.59 1a18 n ASP 47 Cb 0.00 -0.14 -0.12 0.00 -1.03 0.00 0.00 41.12 39.83 1a18 n ASP 47 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1a18 s LEU 48 N -1.29 3.55 -0.14 -2.12 2.96 -0.99 -4.38 118.68 116.27 1a18 s LEU 48 Ca 0.26 -0.23 -0.06 0.00 -0.22 0.00 0.00 54.13 53.88 1a18 s LEU 48 Cb 0.13 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 1a18 s LEU 48 CO 0.19 -0.05 0.07 -0.69 -1.32 0.00 0.00 176.35 174.55 1a18 s VAL 49 N 1.62 4.86 -0.10 1.68 1.01 0.15 -1.12 120.40 128.50 1a18 s VAL 49 Ca 0.06 -0.02 0.01 0.00 0.00 0.00 0.00 61.98 62.03 1a18 s VAL 49 Cb -0.15 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.11 1a18 s VAL 49 CO 0.04 0.54 -0.11 0.28 0.00 0.00 0.00 175.10 175.86 1a18 s THR 50 N -0.35 1.19 -0.34 3.92 -1.32 0.41 -0.09 115.64 119.06 1a18 s THR 50 Ca 0.09 -0.44 -0.05 0.00 -1.21 0.00 0.00 61.69 60.08 1a18 s THR 50 Cb -0.12 -1.14 0.05 0.00 -1.51 0.00 0.00 72.50 69.79 1a18 s THR 50 CO 0.02 0.38 0.10 -0.63 -2.21 0.00 0.00 174.62 172.28 1a18 s ILE 51 N 1.24 3.57 -0.23 5.08 1.01 -0.11 -0.52 121.20 131.25 1a18 s ILE 51 Ca -0.03 -1.32 -0.07 0.00 0.00 0.00 0.00 60.65 59.23 1a18 s ILE 51 Cb -0.14 -3.09 -0.03 0.00 0.01 0.00 0.00 42.46 39.21 1a18 s ILE 51 CO -0.04 -0.25 0.06 -0.60 0.00 0.00 0.00 174.94 174.12 1a18 s ARG 52 N 1.34 3.73 -0.17 2.79 3.52 0.02 -2.35 118.95 127.82 1a18 s ARG 52 Ca -0.01 -0.45 -0.04 0.00 -0.13 0.00 0.00 55.73 55.10 1a18 s ARG 52 Cb -0.20 -3.26 -0.02 0.00 -1.56 0.00 0.00 34.95 29.90 1a18 s ARG 52 CO 0.01 -0.04 -0.03 0.45 -0.81 0.00 0.00 175.30 174.87 1a18 s SER 53 N 1.22 4.74 -0.18 -2.12 0.15 0.03 0.11 113.70 117.65 1a18 s SER 53 Ca 0.04 -0.17 0.01 0.00 0.70 0.00 0.00 55.95 56.53 1a18 s SER 53 Cb -0.14 -1.78 0.03 0.00 -1.71 0.00 0.00 66.02 62.41 1a18 s SER 53 CO 0.03 0.13 -0.17 -1.61 1.20 0.00 0.00 173.24 172.82 1a18 s GLU 54 N 0.59 2.72 0.16 5.44 2.02 -1.12 -1.33 118.70 127.19 1a18 s GLU 54 Ca -0.02 -0.82 -0.01 0.00 0.02 0.00 0.00 54.97 54.14 1a18 s GLU 54 Cb -0.14 -2.49 -0.04 0.00 0.10 0.00 0.00 34.13 31.56 1a18 s GLU 54 CO 0.02 -0.26 0.08 0.45 0.02 0.00 0.00 175.26 175.58 1a18 s SER 55 N 1.32 0.29 0.33 -0.19 0.15 -1.25 -0.54 113.70 113.81 1a18 s SER 55 Ca 0.03 -1.28 0.26 0.00 0.70 0.00 0.00 55.95 55.67 1a18 s SER 55 Cb -0.14 0.32 0.87 0.00 -1.71 0.00 0.00 66.02 65.36 1a18 s SER 55 CO -0.12 -0.76 1.76 0.74 1.20 0.00 0.00 173.24 176.06 1a18 h THR 56 N 2.76 0.00 0.00 6.45 2.02 -1.96 -3.28 112.91 118.91 1a18 h THR 56 Ca -0.36 -0.52 -0.01 0.00 0.77 0.00 0.00 66.41 66.30 1a18 h THR 56 Cb 1.22 1.44 -0.00 0.00 -1.74 0.00 0.00 68.15 69.07 1a18 h THR 56 CO 0.57 0.00 -0.12 0.15 0.37 0.00 0.00 175.52 176.49 1a18 h PHE 57 N 0.00 0.00 -1.50 3.16 3.57 -1.95 -3.49 116.94 116.72 1a18 h PHE 57 Ca 0.00 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.61 1a18 h PHE 57 Cb 0.64 0.00 -0.27 0.00 2.79 0.00 0.00 35.95 39.11 1a18 h PHE 57 CO 0.00 0.31 0.45 0.21 -2.23 0.00 0.00 178.31 177.05 1a18 s LYS 58 N -1.83 0.38 -0.29 1.11 2.20 -1.24 -5.09 119.74 114.98 1a18 s LYS 58 Ca -0.08 0.58 -0.21 0.00 -0.36 0.00 0.00 55.97 55.90 1a18 s LYS 58 Cb -0.00 0.12 -0.01 0.00 -1.51 0.00 0.00 37.83 36.43 1a18 s LYS 58 CO 0.22 -0.07 0.67 -0.80 -0.36 0.00 0.00 175.35 175.01 1a18 s ASN 59 N 0.93 6.56 0.17 1.43 0.02 -1.26 -3.93 114.94 118.86 1a18 s ASN 59 Ca -0.04 0.56 0.10 0.00 -1.02 0.00 0.00 52.86 52.46 1a18 s ASN 59 Cb -0.04 -2.35 -0.04 0.00 0.02 0.00 0.00 41.25 38.84 1a18 s ASN 59 CO -0.12 -0.49 -0.19 0.42 0.02 0.00 0.00 177.10 176.74 1a18 s THR 60 N 2.67 2.65 -0.12 1.60 -4.23 -0.44 -5.00 115.64 112.77 1a18 s THR 60 Ca 0.27 -1.84 -0.06 0.00 -1.18 0.00 0.00 61.69 58.89 1a18 s THR 60 Cb -0.15 -2.27 0.05 0.00 1.34 0.00 0.00 72.50 71.47 1a18 s THR 60 CO 0.11 -0.07 0.28 -0.70 -0.54 0.00 0.00 174.62 173.70 1a18 s GLU 61 N -2.60 0.22 -0.05 3.99 2.12 -1.26 -0.79 118.70 120.32 1a18 s GLU 61 Ca 0.21 0.64 0.03 0.00 0.36 0.00 0.00 54.97 56.22 1a18 s GLU 61 Cb -0.09 -0.07 0.00 0.00 0.26 0.00 0.00 34.13 34.24 1a18 s GLU 61 CO 0.11 -0.20 -0.15 0.96 -0.54 0.00 0.00 175.26 175.44 1a18 s ILE 62 N 1.64 1.31 -0.05 -3.70 -4.36 -0.99 -5.01 121.20 110.04 1a18 s ILE 62 Ca -0.06 -0.63 0.07 0.00 -0.26 0.00 0.00 60.65 59.77 1a18 s ILE 62 Cb -0.11 -1.15 -0.01 0.00 1.25 0.00 0.00 42.46 42.44 1a18 s ILE 62 CO -0.09 0.39 -0.25 -0.44 0.24 0.00 0.00 174.94 174.78 1a18 s SER 63 N 0.28 3.09 0.26 4.36 0.01 -1.26 -0.93 113.70 119.50 1a18 s SER 63 Ca -0.08 -0.49 -0.22 0.00 1.31 0.00 0.00 55.95 56.47 1a18 s SER 63 Cb -0.13 -0.71 0.03 0.00 0.21 0.00 0.00 66.02 65.42 1a18 s SER 63 CO 0.03 0.27 0.74 0.72 0.41 0.00 0.00 173.24 175.41 1a18 s PHE 64 N -0.29 -0.20 0.05 2.43 -0.71 0.87 -4.96 117.98 115.16 1a18 s PHE 64 Ca 0.00 -0.22 0.05 0.00 -1.04 0.00 0.00 56.93 55.72 1a18 s PHE 64 Cb -0.13 0.69 -0.04 0.00 -1.21 0.00 0.00 43.02 42.34 1a18 s PHE 64 CO 0.02 -1.16 -0.07 0.15 -1.34 0.00 0.00 175.22 172.82 1a18 s LYS 65 N -3.83 2.40 0.46 1.99 1.02 -1.26 0.34 119.74 120.86 1a18 s LYS 65 Ca 0.11 -0.85 -0.23 0.00 0.02 0.00 0.00 55.97 55.02 1a18 s LYS 65 Cb -0.05 -2.43 -0.07 0.00 -0.52 0.00 0.00 37.83 34.75 1a18 s LYS 65 CO 0.05 0.56 1.21 -0.51 -0.92 0.00 0.00 175.35 175.74 1a18 s LEU 66 N -1.82 4.02 0.00 3.17 1.43 -1.26 -3.15 118.68 121.08 1a18 s LEU 66 Ca 0.20 2.42 0.00 0.00 -1.03 0.00 0.00 54.13 55.72 1a18 s LEU 66 Cb -0.11 -4.19 0.00 0.00 0.03 0.00 0.00 46.19 41.91 1a18 s LEU 66 CO 0.11 -1.00 0.00 0.61 0.23 0.00 0.00 176.35 176.31 1a18 n GLY 67 N 0.53 0.26 3.20 -3.19 0.00 -0.04 -4.96 105.19 100.99 1a18 n GLY 67 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1a18 n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a18 s VAL 68 N -1.70 2.80 0.31 1.61 1.01 -1.19 -4.99 120.40 118.25 1a18 s VAL 68 Ca 0.00 -0.95 -0.29 0.00 0.00 0.00 0.00 61.98 60.74 1a18 s VAL 68 Cb 0.00 -2.38 -0.13 0.00 0.00 0.00 0.00 36.38 33.88 1a18 s VAL 68 CO 0.00 0.27 1.33 1.21 0.00 0.00 0.00 175.10 177.91 1a18 n GLU 69 N 4.67 2.12 -4.07 2.72 2.13 -1.26 -4.67 120.64 122.28 1a18 n GLU 69 Ca -0.17 0.75 -0.09 0.00 0.66 0.00 0.00 57.16 58.30 1a18 n GLU 69 Cb 0.48 -2.35 -0.09 0.00 0.27 0.00 0.00 31.44 29.75 1a18 n GLU 69 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1a18 s PHE 70 N -0.79 0.62 -0.03 4.31 -0.71 0.99 -4.98 117.98 117.40 1a18 s PHE 70 Ca 0.59 -1.04 -0.15 0.00 -1.04 0.00 0.00 56.93 55.29 1a18 s PHE 70 Cb -0.59 -0.34 -0.05 0.00 -1.21 0.00 0.00 43.02 40.83 1a18 s PHE 70 CO 0.58 -0.52 0.41 -0.51 -1.34 0.00 0.00 175.22 173.84 1a18 s ASP 71 N -2.98 6.77 -0.06 1.98 1.01 -1.26 -0.58 116.67 121.55 1a18 s ASP 71 Ca 0.17 0.91 -0.06 0.00 0.71 0.00 0.00 52.55 54.28 1a18 s ASP 71 Cb 0.07 -2.25 0.02 0.00 1.01 0.00 0.00 42.92 41.76 1a18 s ASP 71 CO -0.03 0.27 0.17 -0.70 0.21 0.00 0.00 175.17 175.09 1a18 s GLU 72 N -0.76 0.25 -0.39 8.23 2.12 -0.83 -4.95 118.70 122.36 1a18 s GLU 72 Ca 0.23 0.15 -0.07 0.00 0.36 0.00 0.00 54.97 55.65 1a18 s GLU 72 Cb -0.16 0.12 0.08 0.00 0.26 0.00 0.00 34.13 34.42 1a18 s GLU 72 CO 0.12 -0.04 0.20 0.42 -0.54 0.00 0.00 175.26 175.42 1a18 s ILE 73 N -0.12 3.82 1.11 -3.70 -1.09 -1.26 -0.92 121.20 119.04 1a18 s ILE 73 Ca -0.02 -1.51 -0.13 0.00 -2.23 0.00 0.00 60.65 56.76 1a18 s ILE 73 Cb -0.02 -3.36 0.25 0.00 -1.58 0.00 0.00 42.46 37.75 1a18 s ILE 73 CO 0.00 -0.46 1.05 0.42 -1.23 0.00 0.00 174.94 174.72 1a18 s THR 74 N 1.34 2.05 0.28 2.92 -4.23 -0.07 -4.86 115.64 113.08 1a18 s THR 74 Ca 0.03 0.02 -0.04 0.00 -1.18 0.00 0.00 61.69 60.52 1a18 s THR 74 Cb -0.22 -2.19 0.26 0.00 1.34 0.00 0.00 72.50 71.69 1a18 s THR 74 CO 0.00 -0.02 1.95 0.00 -0.54 0.00 0.00 174.62 176.01 1a18 h ALA 75 N -2.40 1.36 -0.05 3.99 0.00 -1.96 -1.25 119.26 118.95 1a18 h ALA 75 Ca -0.59 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1a18 h ALA 75 Cb 1.33 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1a18 h ALA 75 CO 0.52 0.59 0.00 -0.40 0.00 0.00 0.00 179.25 179.96 1a18 n ASP 76 N -4.40 1.32 -1.66 0.00 5.75 -1.26 -4.87 116.55 111.43 1a18 n ASP 76 Ca 0.11 -2.07 -0.17 0.00 -0.01 0.00 0.00 54.79 52.65 1a18 n ASP 76 Cb 0.03 -0.48 -0.03 0.00 -1.03 0.00 0.00 41.12 39.60 1a18 n ASP 76 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1a18 n ASP 77 N 0.03 -4.94 -4.81 -1.12 8.00 -0.47 -5.01 116.55 108.22 1a18 n ASP 77 Ca 0.02 0.14 -0.37 0.00 0.71 0.00 0.00 54.79 55.29 1a18 n ASP 77 Cb 0.31 -3.99 -0.06 0.00 -0.02 0.00 0.00 41.12 37.36 1a18 n ASP 77 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1a18 s ARG 78 N -4.31 4.24 -0.39 -1.24 0.52 -1.26 -4.83 118.95 111.68 1a18 s ARG 78 Ca 0.00 0.82 -0.13 0.00 -0.52 0.00 0.00 55.73 55.91 1a18 s ARG 78 Cb 0.00 -2.98 0.02 0.00 0.52 0.00 0.00 34.95 32.51 1a18 s ARG 78 CO 0.00 0.46 0.25 0.21 0.02 0.00 0.00 175.30 176.24 1a18 s LYS 79 N -1.76 2.94 0.36 3.54 2.20 -1.26 -0.89 119.74 124.87 1a18 s LYS 79 Ca 0.39 -1.02 0.06 0.00 -0.36 0.00 0.00 55.97 55.04 1a18 s LYS 79 Cb -0.18 -3.83 -0.07 0.00 -1.51 0.00 0.00 37.83 32.24 1a18 s LYS 79 CO 0.21 -0.70 0.01 0.14 -0.36 0.00 0.00 175.35 174.65 1a18 s VAL 80 N 1.62 1.70 -0.25 4.02 -7.23 -0.10 -4.80 120.40 115.36 1a18 s VAL 80 Ca 0.04 -2.03 -0.06 0.00 -1.81 0.00 0.00 61.98 58.11 1a18 s VAL 80 Cb -0.19 -2.83 -0.02 0.00 0.56 0.00 0.00 36.38 33.90 1a18 s VAL 80 CO 0.08 -0.05 0.04 -0.54 -0.31 0.00 0.00 175.10 174.32 1a18 s LYS 81 N -3.76 3.50 0.19 4.82 -0.14 0.25 -1.97 119.74 122.62 1a18 s LYS 81 Ca 0.35 -0.57 0.11 0.00 -1.36 0.00 0.00 55.97 54.49 1a18 s LYS 81 Cb 0.08 -3.24 -0.04 0.00 -1.68 0.00 0.00 37.83 32.94 1a18 s LYS 81 CO 0.16 -0.23 -0.20 -1.12 -0.76 0.00 0.00 175.35 173.21 1a18 s SER 82 N 1.56 3.68 -0.17 2.83 0.01 0.26 -0.70 113.70 121.16 1a18 s SER 82 Ca 0.06 -0.78 -0.07 0.00 1.31 0.00 0.00 55.95 56.47 1a18 s SER 82 Cb -0.15 -0.39 0.08 0.00 0.21 0.00 0.00 66.02 65.76 1a18 s SER 82 CO 0.02 0.12 0.38 -0.51 0.41 0.00 0.00 173.24 173.65 1a18 s ILE 83 N -1.68 -0.45 -0.14 1.44 2.07 -1.09 -0.01 121.20 121.35 1a18 s ILE 83 Ca 0.22 0.17 -0.02 0.00 -1.41 0.00 0.00 60.65 59.62 1a18 s ILE 83 Cb -0.08 -0.60 -0.02 0.00 0.13 0.00 0.00 42.46 41.89 1a18 s ILE 83 CO 0.11 0.07 -0.08 -0.63 -1.91 0.00 0.00 174.94 172.51 1a18 s ILE 84 N 2.27 3.53 0.20 2.00 1.01 -1.26 -2.18 121.20 126.76 1a18 s ILE 84 Ca -0.03 -0.50 0.07 0.00 0.00 0.00 0.00 60.65 60.19 1a18 s ILE 84 Cb -0.11 -2.51 -0.05 0.00 0.01 0.00 0.00 42.46 39.80 1a18 s ILE 84 CO -0.12 0.52 -0.13 0.42 0.00 0.00 0.00 174.94 175.63 1a18 s THR 85 N 0.24 1.61 -0.87 2.92 -4.23 -0.32 -0.86 115.64 114.12 1a18 s THR 85 Ca -0.05 -2.18 -0.11 0.00 -1.18 0.00 0.00 61.69 58.17 1a18 s THR 85 Cb -0.15 -2.03 0.23 0.00 1.34 0.00 0.00 72.50 71.89 1a18 s THR 85 CO 0.04 -0.61 0.81 -0.22 -0.54 0.00 0.00 174.62 174.10 1a18 s LEU 86 N -3.29 6.42 -0.22 4.79 2.96 -1.26 0.23 118.68 128.31 1a18 s LEU 86 Ca 0.22 -2.99 -0.06 0.00 -0.22 0.00 0.00 54.13 51.08 1a18 s LEU 86 Cb 0.00 -2.15 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 1a18 s LEU 86 CO 0.06 -0.46 0.03 -0.62 -1.32 0.00 0.00 176.35 174.04 1a18 s ASP 87 N 1.65 5.01 -1.46 3.68 -1.08 -0.17 -4.60 116.67 119.70 1a18 s ASP 87 Ca 0.21 -0.18 -0.10 0.00 -0.52 0.00 0.00 52.55 51.96 1a18 s ASP 87 Cb -0.11 -1.87 0.05 0.00 -1.46 0.00 0.00 42.92 39.52 1a18 s ASP 87 CO -0.08 0.03 0.93 0.61 0.52 0.00 0.00 175.17 177.18 1a18 n GLY 88 N 4.46 -0.52 3.16 2.66 0.00 -1.26 -1.42 105.19 112.27 1a18 n GLY 88 Ca -0.17 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1a18 n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a18 n GLY 89 N -1.71 0.77 3.43 -0.02 0.00 -1.26 -5.01 105.19 101.40 1a18 n GLY 89 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1a18 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a18 s ALA 90 N -3.30 2.52 -0.53 4.61 0.00 -0.50 -4.74 121.76 119.81 1a18 s ALA 90 Ca 0.00 -1.18 -0.28 0.00 0.00 0.00 0.00 51.96 50.50 1a18 s ALA 90 Cb 0.00 -0.71 0.02 0.00 0.00 0.00 0.00 23.12 22.43 1a18 s ALA 90 CO 0.00 0.56 1.37 -1.17 0.00 0.00 0.00 175.76 176.52 1a18 s LEU 91 N -1.29 3.46 -0.33 0.00 2.96 -0.04 -1.00 118.68 122.44 1a18 s LEU 91 Ca 0.14 0.37 -0.08 0.00 -0.22 0.00 0.00 54.13 54.34 1a18 s LEU 91 Cb -0.10 -3.20 0.03 0.00 0.50 0.00 0.00 46.19 43.42 1a18 s LEU 91 CO 0.04 -1.60 0.12 -0.69 -1.32 0.00 0.00 176.35 172.91 1a18 s VAL 92 N 5.69 4.06 -0.16 1.68 1.01 0.14 -1.03 120.40 131.78 1a18 s VAL 92 Ca 0.52 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.54 1a18 s VAL 92 Cb -0.11 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 1a18 s VAL 92 CO 0.27 -0.11 -0.01 -1.58 0.00 0.00 0.00 175.10 173.68 1a18 s GLN 93 N 1.48 3.77 -0.12 2.72 0.74 -0.43 -1.18 119.66 126.63 1a18 s GLN 93 Ca 0.01 -0.46 0.03 0.00 0.05 0.00 0.00 55.36 54.99 1a18 s GLN 93 Cb -0.19 -3.01 0.01 0.00 1.10 0.00 0.00 33.01 30.92 1a18 s GLN 93 CO 0.04 0.26 -0.23 0.54 -0.55 0.00 0.00 175.29 175.35 1a18 s VAL 94 N 0.34 2.02 -0.24 1.34 0.11 -0.93 0.98 120.40 124.03 1a18 s VAL 94 Ca -0.02 -0.98 -0.06 0.00 -2.93 0.00 0.00 61.98 57.99 1a18 s VAL 94 Cb -0.14 -1.77 -0.02 0.00 -1.53 0.00 0.00 36.38 32.92 1a18 s VAL 94 CO 0.02 0.55 0.04 -1.10 -3.33 0.00 0.00 175.10 171.28 1a18 s GLN 95 N 0.57 3.60 -0.12 1.54 -0.21 0.90 -2.66 119.66 123.28 1a18 s GLN 95 Ca -0.13 -0.51 -0.01 0.00 0.02 0.00 0.00 55.36 54.73 1a18 s GLN 95 Cb -0.17 -3.24 -0.02 0.00 1.00 0.00 0.00 33.01 30.57 1a18 s GLN 95 CO 0.04 -0.17 -0.08 0.15 -2.12 0.00 0.00 175.29 173.11 1a18 s LYS 96 N 1.52 3.30 -0.28 2.91 1.02 0.12 -1.44 119.74 126.89 1a18 s LYS 96 Ca 0.06 -0.58 -0.23 0.00 0.02 0.00 0.00 55.97 55.23 1a18 s LYS 96 Cb -0.15 -2.72 0.10 0.00 -0.52 0.00 0.00 37.83 34.54 1a18 s LYS 96 CO 0.02 0.36 0.87 1.67 -0.92 0.00 0.00 175.35 177.35 1a18 s TRP 97 N 0.01 -0.68 -1.65 3.18 -2.14 -0.99 -0.59 118.94 116.08 1a18 s TRP 97 Ca -0.01 1.57 -0.12 0.00 2.66 0.00 0.00 56.10 60.20 1a18 s TRP 97 Cb -0.14 0.36 0.11 0.00 -3.10 0.00 0.00 33.47 30.70 1a18 s TRP 97 CO 0.03 -0.33 0.50 -0.25 -2.66 0.00 0.00 176.95 174.25 1a18 n ASP 98 N 2.80 -1.45 0.00 -2.66 8.00 -1.26 -0.03 116.55 121.94 1a18 n ASP 98 Ca -0.15 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.24 1a18 n ASP 98 Cb 0.56 -2.33 0.00 0.00 -0.02 0.00 0.00 41.12 39.33 1a18 n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a18 n GLY 99 N -1.70 2.44 3.94 0.44 0.00 -1.26 -4.98 105.19 104.06 1a18 n GLY 99 Ca -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 1a18 n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a18 s LYS 100 N 0.00 2.51 -0.26 1.61 1.02 0.95 -5.11 119.74 120.46 1a18 s LYS 100 Ca 0.00 -0.31 -0.13 0.00 0.02 0.00 0.00 55.97 55.55 1a18 s LYS 100 Cb 0.00 -2.29 0.09 0.00 -0.52 0.00 0.00 37.83 35.11 1a18 s LYS 100 CO 0.00 -0.93 0.61 0.45 -0.92 0.00 0.00 175.35 174.57 1a18 s SER 101 N -4.42 -0.88 0.12 2.83 0.15 -1.26 -2.36 113.70 107.88 1a18 s SER 101 Ca 0.57 1.39 0.09 0.00 0.70 0.00 0.00 55.95 58.71 1a18 s SER 101 Cb -0.11 1.52 -0.04 0.00 -1.71 0.00 0.00 66.02 65.69 1a18 s SER 101 CO 0.43 -0.23 -0.22 0.28 1.20 0.00 0.00 173.24 174.70 1a18 s THR 102 N 2.00 1.86 -0.02 6.45 -1.32 -0.52 -4.66 115.64 119.43 1a18 s THR 102 Ca -0.08 -1.64 0.06 0.00 -1.21 0.00 0.00 61.69 58.82 1a18 s THR 102 Cb -0.08 -1.69 -0.01 0.00 -1.51 0.00 0.00 72.50 69.21 1a18 s THR 102 CO -0.18 -0.05 -0.20 0.42 -2.21 0.00 0.00 174.62 172.40 1a18 s THR 103 N -1.23 1.58 -0.23 5.08 -4.23 -0.88 -0.07 115.64 115.65 1a18 s THR 103 Ca 0.09 -0.84 0.01 0.00 -1.18 0.00 0.00 61.69 59.78 1a18 s THR 103 Cb -0.10 -1.32 0.06 0.00 1.34 0.00 0.00 72.50 72.48 1a18 s THR 103 CO 0.05 0.45 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.86 1a18 s ILE 104 N -0.34 1.76 -0.15 2.99 1.01 0.28 -1.22 121.20 125.52 1a18 s ILE 104 Ca 0.04 -1.30 -0.11 0.00 0.00 0.00 0.00 60.65 59.29 1a18 s ILE 104 Cb -0.09 -1.93 -0.05 0.00 0.01 0.00 0.00 42.46 40.41 1a18 s ILE 104 CO 0.00 -0.01 0.20 -0.75 0.00 0.00 0.00 174.94 174.39 1a18 s LYS 105 N 1.30 4.02 -0.24 2.79 2.20 0.46 -1.32 119.74 128.95 1a18 s LYS 105 Ca -0.06 -0.05 0.02 0.00 -0.36 0.00 0.00 55.97 55.52 1a18 s LYS 105 Cb -0.19 -3.35 0.06 0.00 -1.51 0.00 0.00 37.83 32.84 1a18 s LYS 105 CO -0.06 0.42 -0.08 1.03 -0.36 0.00 0.00 175.35 176.30 1a18 s ARG 106 N -0.03 1.89 0.09 4.03 0.52 -0.20 -0.67 118.95 124.58 1a18 s ARG 106 Ca 0.13 -1.11 0.05 0.00 -0.52 0.00 0.00 55.73 54.29 1a18 s ARG 106 Cb -0.12 -2.69 -0.03 0.00 0.52 0.00 0.00 34.95 32.63 1a18 s ARG 106 CO 0.02 -0.57 -0.14 -1.59 0.02 0.00 0.00 175.30 173.04 1a18 s LYS 107 N 1.28 0.89 -0.08 3.54 -2.85 -0.56 -0.86 119.74 121.11 1a18 s LYS 107 Ca -0.07 -1.04 -0.16 0.00 -1.00 0.00 0.00 55.97 53.70 1a18 s LYS 107 Cb -0.19 -0.87 -0.05 0.00 -2.06 0.00 0.00 37.83 34.66 1a18 s LYS 107 CO -0.06 0.19 0.43 1.03 0.10 0.00 0.00 175.35 177.04 1a18 s ARG 108 N -2.01 4.18 -0.38 1.78 1.81 -1.26 -0.65 118.95 122.42 1a18 s ARG 108 Ca 0.01 0.40 0.01 0.00 -1.72 0.00 0.00 55.73 54.44 1a18 s ARG 108 Cb -0.08 -3.35 0.15 0.00 -0.45 0.00 0.00 34.95 31.21 1a18 s ARG 108 CO 0.02 0.37 0.25 0.34 -0.68 0.00 0.00 175.30 175.60 1a18 s ASP 109 N -0.04 2.66 1.19 0.23 2.15 -0.97 -4.96 116.67 116.93 1a18 s ASP 109 Ca 0.24 -2.47 0.00 0.00 0.43 0.00 0.00 52.55 50.75 1a18 s ASP 109 Cb -0.16 -0.48 0.00 0.00 -0.30 0.00 0.00 42.92 41.99 1a18 s ASP 109 CO 0.11 -0.27 0.00 0.61 -0.17 0.00 0.00 175.17 175.45 1a18 n GLY 110 N 3.67 1.15 0.93 2.66 0.00 -1.26 -2.60 105.19 109.74 1a18 n GLY 110 Ca 0.16 -0.55 0.08 0.00 0.00 0.00 0.00 46.02 45.71 1a18 n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1a18 n ASP 111 N 6.95 2.70 -4.80 1.61 5.75 -1.26 -4.93 116.55 122.56 1a18 n ASP 111 Ca 0.00 -1.99 -0.22 0.00 -0.01 0.00 0.00 54.79 52.57 1a18 n ASP 111 Cb 0.00 -0.33 -0.05 0.00 -1.03 0.00 0.00 41.12 39.71 1a18 n ASP 111 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1a18 s LYS 112 N -1.34 2.77 -0.30 0.11 -0.14 -1.07 -4.40 119.74 115.37 1a18 s LYS 112 Ca 0.34 -1.18 0.03 0.00 -1.36 0.00 0.00 55.97 53.79 1a18 s LYS 112 Cb 0.18 -2.47 0.08 0.00 -1.68 0.00 0.00 37.83 33.94 1a18 s LYS 112 CO 0.23 0.31 -0.01 -1.17 -0.76 0.00 0.00 175.35 173.96 1a18 s LEU 113 N -3.85 3.82 -0.21 3.17 2.96 -0.29 -2.28 118.68 122.00 1a18 s LEU 113 Ca 0.35 -1.75 -0.17 0.00 -0.22 0.00 0.00 54.13 52.34 1a18 s LEU 113 Cb -0.07 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.12 1a18 s LEU 113 CO 0.24 -0.31 0.46 -0.69 -1.32 0.00 0.00 176.35 174.73 1a18 s VAL 114 N 1.10 5.14 -0.27 1.68 1.01 0.18 -1.06 120.40 128.18 1a18 s VAL 114 Ca 0.03 0.81 -0.05 0.00 0.00 0.00 0.00 61.98 62.77 1a18 s VAL 114 Cb -0.19 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.41 1a18 s VAL 114 CO -0.09 0.19 0.03 -0.69 0.00 0.00 0.00 175.10 174.55 1a18 s VAL 115 N 1.63 3.70 0.54 2.92 1.01 -0.12 -1.49 120.40 128.59 1a18 s VAL 115 Ca 0.21 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.58 1a18 s VAL 115 Cb -0.15 -2.85 0.04 0.00 0.00 0.00 0.00 36.38 33.42 1a18 s VAL 115 CO 0.09 0.19 0.41 -1.61 0.00 0.00 0.00 175.10 174.17 1a18 s GLU 116 N 1.48 2.26 0.00 2.72 2.02 0.15 -1.75 118.70 125.57 1a18 s GLU 116 Ca 0.03 -2.01 0.00 0.00 0.02 0.00 0.00 54.97 53.01 1a18 s GLU 116 Cb -0.16 -2.11 0.00 0.00 0.10 0.00 0.00 34.13 31.96 1a18 s GLU 116 CO 0.00 -0.62 0.00 0.28 0.02 0.00 0.00 175.26 174.95 1a18 n VAL 118 N -1.77 0.00 -3.28 2.63 0.31 -0.35 -0.40 118.33 115.46 1a18 n VAL 118 Ca -0.01 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.25 1a18 n VAL 118 Cb 0.64 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.52 1a18 n VAL 118 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1a18 s MET 119 N -0.83 0.43 -1.11 5.55 1.75 -0.87 -2.07 119.30 122.16 1a18 s MET 119 Ca 0.00 0.26 -0.16 0.00 -1.25 0.00 0.00 55.69 54.54 1a18 s MET 119 Cb 0.00 -0.23 -0.03 0.00 2.84 0.00 0.00 34.83 37.41 1a18 s MET 119 CO 0.00 -0.98 0.84 1.63 -0.65 0.00 0.00 175.02 175.86 1a18 n LYS 120 N 5.37 -1.60 0.00 4.11 5.02 -1.26 -2.94 118.16 126.85 1a18 n LYS 120 Ca 0.01 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 1a18 n LYS 120 Cb 0.50 -4.74 0.00 0.00 -0.02 0.00 0.00 35.03 30.77 1a18 n LYS 120 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a18 n GLY 121 N -1.52 1.90 3.74 0.72 0.00 -1.26 -4.99 105.19 103.78 1a18 n GLY 121 Ca -0.08 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 1a18 n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a18 s VAL 122 N -0.07 2.05 -0.07 1.61 1.01 -1.15 -5.01 120.40 118.77 1a18 s VAL 122 Ca 0.00 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.04 1a18 s VAL 122 Cb 0.00 -3.03 0.02 0.00 0.00 0.00 0.00 36.38 33.37 1a18 s VAL 122 CO 0.00 0.01 -0.10 -0.89 0.00 0.00 0.00 175.10 174.12 1a18 s THR 123 N 0.36 1.01 -0.11 3.92 2.01 -1.26 -2.04 115.64 119.52 1a18 s THR 123 Ca 0.67 -0.38 -0.03 0.00 0.31 0.00 0.00 61.69 62.26 1a18 s THR 123 Cb -0.48 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.04 1a18 s THR 123 CO 0.43 0.33 -0.00 -0.55 -0.69 0.00 0.00 174.62 174.14 1a18 s SER 124 N 0.89 5.15 -0.15 3.53 0.15 -1.26 -4.68 113.70 117.33 1a18 s SER 124 Ca -0.11 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.61 1a18 s SER 124 Cb -0.15 -1.59 0.02 0.00 -1.71 0.00 0.00 66.02 62.59 1a18 s SER 124 CO 0.01 0.30 -0.13 -0.89 1.20 0.00 0.00 173.24 173.73 1a18 s THR 125 N -0.42 1.50 -0.12 6.45 2.01 -0.39 -4.17 115.64 120.50 1a18 s THR 125 Ca 0.08 -0.62 0.01 0.00 0.31 0.00 0.00 61.69 61.47 1a18 s THR 125 Cb -0.12 -1.43 0.02 0.00 0.01 0.00 0.00 72.50 70.97 1a18 s THR 125 CO 0.02 0.42 -0.15 -0.13 -0.69 0.00 0.00 174.62 174.09 1a18 s ARG 126 N 1.51 2.28 -0.12 4.92 0.52 -0.72 -1.08 118.95 126.25 1a18 s ARG 126 Ca 0.04 -0.57 -0.06 0.00 -0.52 0.00 0.00 55.73 54.62 1a18 s ARG 126 Cb -0.13 -1.97 -0.04 0.00 0.52 0.00 0.00 34.95 33.33 1a18 s ARG 126 CO -0.10 -0.11 0.08 0.08 0.02 0.00 0.00 175.30 175.28 1a18 s VAL 127 N 1.11 5.01 0.32 3.52 1.01 -0.96 -0.95 120.40 129.46 1a18 s VAL 127 Ca -0.04 0.02 0.07 0.00 0.00 0.00 0.00 61.98 62.04 1a18 s VAL 127 Cb -0.14 -3.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.99 1a18 s VAL 127 CO -0.04 0.58 -0.04 -0.31 0.00 0.00 0.00 175.10 175.29 1a18 s TYR 128 N -0.69 2.17 -0.08 5.22 1.51 -0.23 -0.25 117.35 125.00 1a18 s TYR 128 Ca 0.12 -0.67 -0.21 0.00 -1.01 0.00 0.00 57.07 55.31 1a18 s TYR 128 Cb -0.12 -1.31 0.05 0.00 -0.11 0.00 0.00 41.96 40.47 1a18 s TYR 128 CO 0.02 0.36 0.48 -1.83 -1.11 0.00 0.00 175.55 173.48 1a18 s GLU 129 N -3.71 0.77 0.01 -0.62 -1.05 -0.74 -1.13 118.70 112.22 1a18 s GLU 129 Ca 0.32 0.21 -0.37 0.00 -0.15 0.00 0.00 54.97 54.97 1a18 s GLU 129 Cb 0.05 0.36 -0.17 0.00 -0.44 0.00 0.00 34.13 33.93 1a18 s GLU 129 CO 0.15 -0.20 1.42 0.54 0.95 0.00 0.00 175.26 178.12 1a18 n ARG 130 N 1.61 1.13 0.00 -4.83 1.74 -1.26 -1.12 116.66 113.92 1a18 n ARG 130 Ca -0.18 0.41 0.14 0.00 -0.77 0.00 0.00 57.85 57.44 1a18 n ARG 130 Cb 0.56 -2.06 0.81 0.00 -1.02 0.00 0.00 32.46 30.75 1a18 n ARG 130 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11