#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1eal n PHE 2 N 0.00 0.00 -1.13 0.00 3.72 -1.26 -4.88 117.46 113.91 1eal n PHE 2 Ca 0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 1eal n PHE 2 Cb 0.00 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.49 1eal n PHE 2 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1eal n THR 3 N 0.00 0.37 0.00 4.37 5.66 -1.26 -4.79 114.28 118.64 1eal n THR 3 Ca 0.00 -0.09 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 1eal n THR 3 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1eal n THR 3 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1eal n GLY 4 N 1.24 2.52 3.92 1.09 0.00 -0.58 -4.99 105.19 108.39 1eal n GLY 4 Ca 0.15 -1.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 1eal n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1eal s LYS 5 N -1.89 3.51 0.07 1.61 1.02 -1.26 -1.92 119.74 120.88 1eal s LYS 5 Ca 0.00 -0.33 -0.15 0.00 0.02 0.00 0.00 55.97 55.51 1eal s LYS 5 Cb 0.00 -2.94 0.03 0.00 -0.52 0.00 0.00 37.83 34.40 1eal s LYS 5 CO 0.00 0.52 0.35 0.71 -0.92 0.00 0.00 175.35 176.01 1eal s TYR 6 N -1.64 -0.14 0.11 3.18 1.51 -0.03 -3.32 117.35 117.02 1eal s TYR 6 Ca 0.37 -0.05 0.05 0.00 -1.01 0.00 0.00 57.07 56.44 1eal s TYR 6 Cb -0.12 0.15 -0.04 0.00 -0.11 0.00 0.00 41.96 41.85 1eal s TYR 6 CO 0.27 -0.58 -0.13 -1.83 -1.11 0.00 0.00 175.55 172.18 1eal s GLU 7 N -3.02 0.94 -0.75 -0.62 -1.05 0.44 -0.45 118.70 114.19 1eal s GLU 7 Ca -0.02 -1.19 -0.24 0.00 -0.15 0.00 0.00 54.97 53.37 1eal s GLU 7 Cb 0.01 -0.76 0.06 0.00 -0.44 0.00 0.00 34.13 32.99 1eal s GLU 7 CO -0.06 0.14 1.15 0.42 0.95 0.00 0.00 175.26 177.86 1eal s ILE 8 N -2.20 4.09 0.24 1.83 1.01 -1.17 -0.53 121.20 124.47 1eal s ILE 8 Ca 0.07 -0.21 -0.06 0.00 0.00 0.00 0.00 60.65 60.45 1eal s ILE 8 Cb -0.04 -4.82 0.23 0.00 0.01 0.00 0.00 42.46 37.83 1eal s ILE 8 CO 0.02 -1.67 1.89 -0.08 0.00 0.00 0.00 174.94 175.10 1eal h GLU 9 N 9.71 1.13 -3.30 2.79 4.81 -1.90 -3.46 114.58 124.36 1eal h GLU 9 Ca -0.20 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 58.92 1eal h GLU 9 Cb 1.05 -0.26 -0.12 0.00 0.63 0.00 0.00 28.75 30.05 1eal h GLU 9 CO 1.24 0.75 0.00 -1.12 -0.73 0.00 0.00 179.01 179.15 1eal s SER 10 N -5.95 -0.31 -0.29 1.04 0.01 -1.26 -5.12 113.70 101.82 1eal s SER 10 Ca -0.13 -0.26 -0.24 0.00 1.31 0.00 0.00 55.95 56.63 1eal s SER 10 Cb 0.18 0.51 0.18 0.00 0.21 0.00 0.00 66.02 67.10 1eal s SER 10 CO 0.80 -0.90 1.32 -0.70 0.41 0.00 0.00 173.24 174.18 1eal s GLU 11 N -3.80 0.17 -0.33 12.44 2.56 -1.26 -3.81 118.70 124.67 1eal s GLU 11 Ca 0.03 0.21 0.17 0.00 0.00 0.00 0.00 54.97 55.38 1eal s GLU 11 Cb 0.01 0.08 0.45 0.00 2.00 0.00 0.00 34.13 36.66 1eal s GLU 11 CO -0.11 -0.02 0.93 1.17 -0.56 0.00 0.00 175.26 176.67 1eal n LYS 12 N 1.92 1.12 -2.07 4.30 3.00 -1.26 -4.82 118.16 120.35 1eal n LYS 12 Ca -0.12 -3.24 -0.02 0.00 -0.00 0.00 0.00 58.31 54.94 1eal n LYS 12 Cb 0.57 -1.27 0.04 0.00 0.00 0.00 0.00 35.03 34.37 1eal n LYS 12 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 1eal n ASN 13 N -0.03 -0.28 0.06 3.14 5.15 -1.26 -4.95 115.26 117.09 1eal n ASN 13 Ca 0.10 -2.08 -0.15 0.00 -0.60 0.00 0.00 54.58 51.85 1eal n ASN 13 Cb 0.80 0.17 -0.14 0.00 -0.53 0.00 0.00 39.78 40.08 1eal n ASN 13 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1eal h TYR 14 N 1.08 0.36 -0.28 1.20 5.03 -1.93 -3.04 116.97 119.40 1eal h TYR 14 Ca -0.38 -0.26 -0.07 0.00 2.58 0.00 0.00 58.73 60.60 1eal h TYR 14 Cb 1.42 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 39.68 1eal h TYR 14 CO 0.06 1.30 -0.09 0.38 -1.32 0.00 0.00 178.16 178.49 1eal h ASP 15 N 0.05 0.57 -0.11 -2.11 2.03 -1.96 0.68 116.42 115.58 1eal h ASP 15 Ca -0.21 -0.38 -0.07 0.00 -0.73 0.00 0.00 57.03 55.63 1eal h ASP 15 Cb 1.98 -0.16 -0.02 0.00 -0.83 0.00 0.00 39.33 40.31 1eal h ASP 15 CO 0.15 0.82 -0.14 -0.08 -1.03 0.00 0.00 179.24 178.96 1eal h GLU 16 N 0.31 0.46 -0.31 4.15 4.57 -1.96 0.11 114.58 121.91 1eal h GLU 16 Ca 0.07 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 1eal h GLU 16 Cb 0.59 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.11 1eal h GLU 16 CO 0.03 0.60 0.12 0.35 -1.18 0.00 0.00 179.01 178.93 1eal h PHE 17 N 0.43 0.49 -0.67 0.92 3.57 -1.34 -1.60 116.94 118.74 1eal h PHE 17 Ca 0.08 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 1eal h PHE 17 Cb 0.51 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 1eal h PHE 17 CO 0.02 0.47 0.27 0.52 -2.23 0.00 0.00 178.31 177.36 1eal h MET 18 N 0.36 1.00 -0.90 1.11 2.86 -0.40 -1.30 114.93 117.66 1eal h MET 18 Ca 0.10 -0.18 0.08 0.00 -2.06 0.00 0.00 59.70 57.64 1eal h MET 18 Cb 0.20 -0.16 -0.07 0.00 0.06 0.00 0.00 31.60 31.63 1eal h MET 18 CO -0.01 0.83 0.55 -0.22 1.06 0.00 0.00 176.91 179.12 1eal h LYS 19 N 0.94 0.94 -0.07 1.72 1.63 -0.47 0.53 116.57 121.79 1eal h LYS 19 Ca 0.22 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 59.96 1eal h LYS 19 Cb 0.20 -0.21 -0.00 0.00 -0.60 0.00 0.00 32.23 31.62 1eal h LYS 19 CO -0.02 0.62 0.02 -0.09 -3.45 0.00 0.00 179.45 176.54 1eal h ARG 20 N 0.97 0.11 -0.29 1.90 1.12 -0.84 -1.25 114.38 116.10 1eal h ARG 20 Ca 0.41 -0.02 0.08 0.00 -1.11 0.00 0.00 59.98 59.34 1eal h ARG 20 Cb 0.25 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.19 1eal h ARG 20 CO -0.20 0.26 0.22 -0.07 -3.11 0.00 0.00 179.97 177.06 1eal h LEU 21 N -0.06 0.00 -2.31 3.80 3.38 -0.14 -3.46 115.31 116.51 1eal h LEU 21 Ca 0.02 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 1eal h LEU 21 Cb 0.19 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.05 1eal h LEU 21 CO -0.00 0.00 -0.46 0.00 0.09 0.00 0.00 178.44 178.07 1eal n ALA 22 N -2.56 -1.40 -2.47 1.53 0.00 0.17 -5.05 120.51 110.74 1eal n ALA 22 Ca 0.04 0.03 -0.33 0.00 0.00 0.00 0.00 53.44 53.18 1eal n ALA 22 Cb 0.38 -2.65 -0.05 0.00 0.00 0.00 0.00 19.45 17.13 1eal n ALA 22 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1eal s LEU 23 N -4.37 4.27 0.90 0.00 1.43 -1.23 -5.07 118.68 114.62 1eal s LEU 23 Ca 0.15 0.89 -0.11 0.00 -1.03 0.00 0.00 54.13 54.02 1eal s LEU 23 Cb -0.02 -3.34 0.13 0.00 0.03 0.00 0.00 46.19 42.99 1eal s LEU 23 CO 0.41 0.05 1.09 -2.16 0.23 0.00 0.00 176.35 175.98 1eal s PRO 24 N -2.33 1.21 0.29 1.29 0.04 -1.26 -4.66 135.00 129.57 1eal s PRO 24 Ca 0.40 1.01 -0.01 0.00 0.04 0.00 0.00 61.00 62.44 1eal s PRO 24 Cb -0.13 -1.79 0.47 0.00 0.04 0.00 0.00 34.50 33.09 1eal s PRO 24 CO 0.20 -2.33 1.90 0.77 0.04 0.00 0.00 177.00 177.59 1eal h SER 25 N -1.62 0.97 -0.43 6.66 0.02 -1.99 -0.18 113.55 116.98 1eal h SER 25 Ca -0.48 0.01 0.09 0.00 -0.84 0.00 0.00 61.79 60.56 1eal h SER 25 Cb 1.28 -0.20 -0.08 0.00 0.14 0.00 0.00 62.40 63.53 1eal h SER 25 CO 0.51 0.63 -0.09 0.44 -1.14 0.00 0.00 176.83 177.18 1eal h ASP 26 N 1.10 -0.37 -0.37 3.07 5.19 -2.00 0.61 116.42 123.66 1eal h ASP 26 Ca 0.41 0.13 -0.05 0.00 -0.62 0.00 0.00 57.03 56.90 1eal h ASP 26 Cb 0.17 0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.91 1eal h ASP 26 CO -0.15 -0.13 0.08 0.00 -3.12 0.00 0.00 179.24 175.92 1eal h ALA 27 N 1.42 1.32 -0.02 3.45 0.00 -1.37 -2.73 119.26 121.32 1eal h ALA 27 Ca 0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1eal h ALA 27 Cb 0.32 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1eal h ALA 27 CO -0.43 0.48 -0.01 0.82 0.00 0.00 0.00 179.25 180.10 1eal h ILE 28 N 0.65 1.33 -0.29 0.00 2.04 -0.59 -2.42 117.51 118.22 1eal h ILE 28 Ca 0.14 -0.99 0.07 0.00 1.00 0.00 0.00 64.86 65.08 1eal h ILE 28 Cb 0.28 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.29 1eal h ILE 28 CO 0.00 0.26 0.21 -2.24 0.00 0.00 0.00 178.15 176.38 1eal h ASP 29 N -0.35 0.09 -0.14 1.72 3.04 -0.72 0.30 116.42 120.36 1eal h ASP 29 Ca 0.01 0.00 -0.03 0.00 -3.24 0.00 0.00 57.03 53.77 1eal h ASP 29 Cb 0.43 -0.02 -0.01 0.00 -1.04 0.00 0.00 39.33 38.70 1eal h ASP 29 CO 0.00 0.06 -0.01 0.11 -2.04 0.00 0.00 179.24 177.36 1eal h LYS 30 N 0.10 0.26 -0.06 4.15 1.79 -1.31 -3.11 116.57 118.40 1eal h LYS 30 Ca 0.14 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.52 1eal h LYS 30 Cb 0.42 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1eal h LYS 30 CO -0.01 0.51 0.00 0.00 -1.08 0.00 0.00 179.45 178.86 1eal n ALA 31 N -2.32 2.56 -1.81 3.86 0.00 0.39 -4.81 120.51 118.39 1eal n ALA 31 Ca -0.05 -0.22 -0.33 0.00 0.00 0.00 0.00 53.44 52.83 1eal n ALA 31 Cb 0.22 -1.19 -0.06 0.00 0.00 0.00 0.00 19.45 18.43 1eal n ALA 31 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1eal s ARG 32 N -1.93 4.10 -1.12 0.00 3.00 0.79 -3.75 118.95 120.05 1eal s ARG 32 Ca 0.24 1.19 -0.11 0.00 -1.00 0.00 0.00 55.73 56.06 1eal s ARG 32 Cb 0.12 -2.15 -0.04 0.00 0.00 0.00 0.00 34.95 32.88 1eal s ARG 32 CO 0.19 -0.15 0.85 -1.71 0.00 0.00 0.00 175.30 174.48 1eal n ASN 33 N -0.75 -5.36 -3.79 -2.12 2.85 -1.26 -4.99 115.26 99.84 1eal n ASN 33 Ca 0.08 -0.83 -0.13 0.00 -0.11 0.00 0.00 54.58 53.59 1eal n ASN 33 Cb 0.54 -4.42 -0.11 0.00 1.24 0.00 0.00 39.78 37.03 1eal n ASN 33 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1eal s LEU 34 N -5.97 1.02 0.36 1.20 2.96 -1.25 -5.14 118.68 111.86 1eal s LEU 34 Ca 0.40 0.40 0.05 0.00 -0.22 0.00 0.00 54.13 54.75 1eal s LEU 34 Cb -0.09 0.94 -0.03 0.00 0.50 0.00 0.00 46.19 47.51 1eal s LEU 34 CO 0.79 -0.17 0.17 -0.54 -1.32 0.00 0.00 176.35 175.29 1eal s LYS 35 N -0.21 1.80 0.01 1.98 1.02 -1.26 -5.11 119.74 117.96 1eal s LYS 35 Ca -0.03 -2.07 0.03 0.00 0.02 0.00 0.00 55.97 53.91 1eal s LYS 35 Cb -0.03 -0.25 -0.01 0.00 -0.52 0.00 0.00 37.83 37.02 1eal s LYS 35 CO 0.01 -0.52 -0.10 0.42 -0.92 0.00 0.00 175.35 174.25 1eal s ILE 36 N -3.37 0.75 -0.36 2.17 1.01 -1.26 -4.42 121.20 115.72 1eal s ILE 36 Ca 0.31 -0.59 -0.17 0.00 0.00 0.00 0.00 60.65 60.20 1eal s ILE 36 Cb 0.03 -0.66 -0.00 0.00 0.01 0.00 0.00 42.46 41.84 1eal s ILE 36 CO 0.19 0.08 0.46 -0.63 0.00 0.00 0.00 174.94 175.03 1eal s ILE 37 N -0.48 5.07 -0.21 2.92 1.01 -0.75 -3.06 121.20 125.70 1eal s ILE 37 Ca 0.01 0.15 -0.17 0.00 0.00 0.00 0.00 60.65 60.64 1eal s ILE 37 Cb -0.05 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 1eal s ILE 37 CO 0.00 -0.21 0.44 -0.94 0.00 0.00 0.00 174.94 174.23 1eal s SER 38 N 1.77 6.46 -0.18 3.58 1.04 0.40 -0.92 113.70 125.85 1eal s SER 38 Ca 0.16 0.55 0.01 0.00 0.48 0.00 0.00 55.95 57.14 1eal s SER 38 Cb -0.16 -2.25 0.04 0.00 0.10 0.00 0.00 66.02 63.75 1eal s SER 38 CO 0.13 -0.13 -0.11 -1.61 0.98 0.00 0.00 173.24 172.50 1eal s GLU 39 N 1.52 2.12 -0.09 4.02 2.02 -0.83 -0.85 118.70 126.60 1eal s GLU 39 Ca 0.20 -0.76 -0.01 0.00 0.02 0.00 0.00 54.97 54.42 1eal s GLU 39 Cb -0.15 -2.32 -0.03 0.00 0.10 0.00 0.00 34.13 31.72 1eal s GLU 39 CO 0.09 -0.37 -0.03 0.54 0.02 0.00 0.00 175.26 175.51 1eal s VAL 40 N 1.42 4.03 -0.32 2.63 0.11 -0.81 -0.64 120.40 126.83 1eal s VAL 40 Ca 0.01 -0.35 0.01 0.00 -2.93 0.00 0.00 61.98 58.72 1eal s VAL 40 Cb -0.15 -2.69 0.10 0.00 -1.53 0.00 0.00 36.38 32.11 1eal s VAL 40 CO -0.09 0.59 0.07 -0.75 -3.33 0.00 0.00 175.10 171.59 1eal s LYS 41 N -0.66 1.06 0.61 1.54 2.20 -0.87 -1.53 119.74 122.10 1eal s LYS 41 Ca 0.10 -1.41 -0.18 0.00 -0.36 0.00 0.00 55.97 54.12 1eal s LYS 41 Cb -0.12 -2.53 -0.03 0.00 -1.51 0.00 0.00 37.83 33.65 1eal s LYS 41 CO 0.02 -0.96 1.18 -1.14 -0.36 0.00 0.00 175.35 174.09 1eal s GLN 42 N 1.31 2.91 -0.42 4.03 0.74 -1.26 -2.26 119.66 124.70 1eal s GLN 42 Ca 0.10 1.72 0.07 0.00 0.05 0.00 0.00 55.36 57.30 1eal s GLN 42 Cb -0.18 -1.93 0.23 0.00 1.10 0.00 0.00 33.01 32.23 1eal s GLN 42 CO -0.17 -1.23 0.56 -3.47 -0.55 0.00 0.00 175.29 170.42 1eal n ASP 43 N -1.80 -0.60 0.00 6.67 2.03 0.11 -4.93 116.55 118.04 1eal n ASP 43 Ca 0.13 -2.75 0.00 0.00 0.52 0.00 0.00 54.79 52.69 1eal n ASP 43 Cb 0.50 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 1eal n ASP 43 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1eal n GLY 44 N 1.75 1.64 2.16 0.27 0.00 -1.26 -2.82 105.19 106.92 1eal n GLY 44 Ca 0.20 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 1eal n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1eal n GLN 45 N 0.00 3.31 -4.35 1.61 -0.00 -1.26 -5.03 117.38 111.66 1eal n GLN 45 Ca 0.00 -4.06 -0.24 0.00 -0.00 0.00 0.00 57.00 52.70 1eal n GLN 45 Cb 0.00 -2.17 -0.12 0.00 -0.00 0.00 0.00 30.24 27.95 1eal n GLN 45 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 1eal s ASN 46 N -3.63 2.86 -0.27 2.61 3.84 -1.13 -2.78 114.94 116.44 1eal s ASN 46 Ca 0.47 -0.82 -0.03 0.00 0.21 0.00 0.00 52.86 52.69 1eal s ASN 46 Cb 0.40 -0.18 0.09 0.00 -0.55 0.00 0.00 41.25 41.01 1eal s ASN 46 CO 0.03 0.03 0.10 -0.36 -2.79 0.00 0.00 177.10 174.10 1eal s PHE 47 N -1.74 0.99 -0.96 0.43 0.40 0.16 0.08 117.98 117.33 1eal s PHE 47 Ca 0.15 -1.16 -0.24 0.00 -0.60 0.00 0.00 56.93 55.08 1eal s PHE 47 Cb -0.07 -1.22 0.03 0.00 0.51 0.00 0.00 43.02 42.27 1eal s PHE 47 CO 0.07 -0.78 1.50 0.99 0.70 0.00 0.00 175.22 177.69 1eal s THR 48 N 1.87 3.83 -0.90 0.64 2.01 -0.96 -1.80 115.64 120.33 1eal s THR 48 Ca 0.07 -0.54 -0.17 0.00 0.31 0.00 0.00 61.69 61.35 1eal s THR 48 Cb -0.17 -4.89 0.15 0.00 0.01 0.00 0.00 72.50 67.61 1eal s THR 48 CO -0.25 -1.79 1.03 0.86 -0.69 0.00 0.00 174.62 173.78 1eal s TRP 49 N 5.77 3.29 0.46 4.92 -0.11 -1.25 -2.05 118.94 129.97 1eal s TRP 49 Ca 0.48 -1.55 -0.22 0.00 1.22 0.00 0.00 56.10 56.03 1eal s TRP 49 Cb -0.02 -4.16 -0.08 0.00 -1.50 0.00 0.00 33.47 27.71 1eal s TRP 49 CO -0.05 -1.35 1.05 -1.12 -4.62 0.00 0.00 176.95 170.86 1eal s SER 50 N 3.23 6.45 -0.51 5.86 0.01 0.19 -1.63 113.70 127.30 1eal s SER 50 Ca 0.29 1.99 0.03 0.00 1.31 0.00 0.00 55.95 59.57 1eal s SER 50 Cb -0.06 -2.57 0.15 0.00 0.21 0.00 0.00 66.02 63.75 1eal s SER 50 CO -0.09 -0.70 0.33 -1.10 0.41 0.00 0.00 173.24 172.08 1eal s GLN 51 N -2.95 1.59 -0.77 12.44 -0.21 -1.26 -1.97 119.66 126.53 1eal s GLN 51 Ca 0.64 -2.44 -0.19 0.00 0.02 0.00 0.00 55.36 53.38 1eal s GLN 51 Cb -0.19 -2.53 0.12 0.00 1.00 0.00 0.00 33.01 31.40 1eal s GLN 51 CO 0.23 -1.24 0.95 -1.14 -2.12 0.00 0.00 175.29 171.98 1eal s GLN 52 N -0.25 3.34 0.56 2.91 0.74 -0.09 -1.83 119.66 125.03 1eal s GLN 52 Ca 0.23 -1.47 -0.21 0.00 0.05 0.00 0.00 55.36 53.96 1eal s GLN 52 Cb -0.14 -4.54 -0.05 0.00 1.10 0.00 0.00 33.01 29.39 1eal s GLN 52 CO -0.08 -1.69 1.18 0.66 -0.55 0.00 0.00 175.29 174.80 1eal n TYR 53 N 6.59 1.62 -1.11 1.67 4.01 -1.13 -1.81 117.16 127.00 1eal n TYR 53 Ca 0.08 0.45 -0.29 0.00 -0.16 0.00 0.00 57.90 57.97 1eal n TYR 53 Cb 0.46 -2.26 0.22 0.00 -0.31 0.00 0.00 39.34 37.45 1eal n TYR 53 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1eal s PRO 54 N -2.79 -0.57 0.00 -0.72 0.04 -1.26 -3.77 135.00 125.93 1eal s PRO 54 Ca 0.73 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.95 1eal s PRO 54 Cb -0.43 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1eal s PRO 54 CO 0.48 -3.33 0.00 0.41 0.04 0.00 0.00 177.00 174.60 1eal n GLY 55 N -0.98 2.53 0.00 0.56 0.00 -1.26 -4.54 105.19 101.51 1eal n GLY 55 Ca 0.09 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1eal n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1eal n GLY 56 N 0.00 1.11 3.69 -0.02 0.00 -1.25 -5.15 105.19 103.57 1eal n GLY 56 Ca 0.00 0.02 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1eal n GLY 56 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1eal n HIS 57 N 0.00 1.35 -4.11 1.61 -0.00 -1.26 -4.87 115.22 107.94 1eal n HIS 57 Ca 0.00 0.41 -0.12 0.00 -0.00 0.00 0.00 57.72 58.01 1eal n HIS 57 Cb 0.00 -2.14 -0.11 0.00 -0.00 0.00 0.00 29.99 27.74 1eal n HIS 57 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1eal s SER 58 N -1.88 0.95 -0.71 0.26 1.04 -1.26 -2.86 113.70 109.25 1eal s SER 58 Ca 0.76 -0.77 0.04 0.00 0.48 0.00 0.00 55.95 56.46 1eal s SER 58 Cb -0.32 0.07 0.30 0.00 0.10 0.00 0.00 66.02 66.17 1eal s SER 58 CO 0.48 -0.34 1.05 0.00 0.98 0.00 0.00 173.24 175.41 1eal n ILE 59 N 0.76 3.46 -0.74 -1.02 0.00 -0.76 -4.94 119.36 116.12 1eal n ILE 59 Ca -0.18 -5.55 -0.31 0.00 0.00 0.00 0.00 62.75 56.70 1eal n ILE 59 Cb 0.58 -1.72 0.16 0.00 0.00 0.00 0.00 39.64 38.66 1eal n ILE 59 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 1eal n THR 60 N 0.30 0.31 -3.53 9.51 5.66 -1.26 -4.19 114.28 121.07 1eal n THR 60 Ca 0.32 -0.03 -0.27 0.00 -3.05 0.00 0.00 64.05 61.02 1eal n THR 60 Cb 0.37 -1.03 -0.09 0.00 -1.55 0.00 0.00 70.33 68.03 1eal n THR 60 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1eal n ASN 61 N -4.11 2.42 -4.64 1.09 4.13 -0.65 -4.75 115.26 108.75 1eal n ASN 61 Ca 0.12 -3.12 -0.42 0.00 1.68 0.00 0.00 54.58 52.84 1eal n ASN 61 Cb 0.52 -0.68 -0.03 0.00 -1.54 0.00 0.00 39.78 38.05 1eal n ASN 61 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1eal s THR 62 N -1.63 3.18 0.08 3.41 2.01 -1.26 -3.85 115.64 117.59 1eal s THR 62 Ca 0.33 0.21 -0.02 0.00 0.31 0.00 0.00 61.69 62.52 1eal s THR 62 Cb 0.08 -3.17 -0.03 0.00 0.01 0.00 0.00 72.50 69.39 1eal s THR 62 CO -0.10 -0.05 0.04 0.72 -0.69 0.00 0.00 174.62 174.54 1eal s PHE 63 N 5.36 0.56 0.13 4.92 -0.12 -0.74 -4.78 117.98 123.31 1eal s PHE 63 Ca 0.87 -1.03 0.08 0.00 -0.05 0.00 0.00 56.93 56.80 1eal s PHE 63 Cb -0.37 -0.35 -0.04 0.00 -0.63 0.00 0.00 43.02 41.63 1eal s PHE 63 CO 0.37 -0.46 -0.20 0.99 -0.05 0.00 0.00 175.22 175.87 1eal s THR 64 N -3.95 1.74 0.40 -4.49 2.01 -1.26 -0.67 115.64 109.42 1eal s THR 64 Ca 0.12 -1.69 -0.26 0.00 0.31 0.00 0.00 61.69 60.17 1eal s THR 64 Cb 0.07 -1.66 -0.09 0.00 0.01 0.00 0.00 72.50 70.83 1eal s THR 64 CO -0.06 -0.17 1.26 -0.63 -0.69 0.00 0.00 174.62 174.33 1eal s ILE 65 N -1.52 2.80 -1.36 1.82 -1.09 -1.12 -3.48 121.20 117.25 1eal s ILE 65 Ca 0.10 0.71 -0.07 0.00 -2.23 0.00 0.00 60.65 59.16 1eal s ILE 65 Cb -0.08 -3.41 0.02 0.00 -1.58 0.00 0.00 42.46 37.41 1eal s ILE 65 CO 0.05 0.10 1.04 0.61 -1.23 0.00 0.00 174.94 175.51 1eal n GLY 66 N 0.68 -0.46 3.28 6.18 0.00 -1.12 -5.01 105.19 108.74 1eal n GLY 66 Ca 0.04 0.19 -0.19 0.00 0.00 0.00 0.00 46.02 46.06 1eal n GLY 66 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1eal s LYS 67 N -6.14 1.13 -1.20 1.61 2.20 -1.23 -4.98 119.74 111.14 1eal s LYS 67 Ca 0.40 -1.34 -0.21 0.00 -0.36 0.00 0.00 55.97 54.47 1eal s LYS 67 Cb -0.19 -1.04 -0.04 0.00 -1.51 0.00 0.00 37.83 35.05 1eal s LYS 67 CO 0.76 0.20 1.88 0.39 -0.36 0.00 0.00 175.35 178.23 1eal n GLU 68 N 0.33 2.18 -2.42 4.03 -0.58 -1.26 -3.32 120.64 119.60 1eal n GLU 68 Ca -0.14 -2.69 -0.40 0.00 -0.42 0.00 0.00 57.16 53.51 1eal n GLU 68 Cb 0.57 -3.57 -0.04 0.00 -0.57 0.00 0.00 31.44 27.84 1eal n GLU 68 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1eal s ASP 70 N -0.86 7.24 -0.70 0.00 -4.77 -1.26 -0.27 116.67 116.04 1eal s ASP 70 Ca 0.46 1.49 0.04 0.00 -3.30 0.00 0.00 52.55 51.24 1eal s ASP 70 Cb -0.33 -2.50 0.17 0.00 -1.09 0.00 0.00 42.92 39.18 1eal s ASP 70 CO 0.42 -0.08 0.50 -0.63 0.70 0.00 0.00 175.17 176.08 1eal s ILE 71 N 0.35 3.09 0.60 2.11 -1.09 -0.59 -4.76 121.20 120.92 1eal s ILE 71 Ca 0.42 -4.06 -0.20 0.00 -2.23 0.00 0.00 60.65 54.58 1eal s ILE 71 Cb -0.20 -3.02 -0.03 0.00 -1.58 0.00 0.00 42.46 37.63 1eal s ILE 71 CO 0.24 -0.99 1.32 -0.70 -1.23 0.00 0.00 174.94 173.58 1eal s GLU 72 N -1.25 2.81 0.05 2.79 2.12 -1.26 -1.80 118.70 122.16 1eal s GLU 72 Ca 0.24 2.13 0.04 0.00 0.36 0.00 0.00 54.97 57.74 1eal s GLU 72 Cb -0.08 -2.02 -0.03 0.00 0.26 0.00 0.00 34.13 32.26 1eal s GLU 72 CO -0.13 -1.42 -0.11 0.99 -0.54 0.00 0.00 175.26 174.05 1eal s THR 73 N -1.36 0.88 0.79 -1.70 2.01 -1.06 -4.87 115.64 110.33 1eal s THR 73 Ca 0.78 -1.14 -0.14 0.00 0.31 0.00 0.00 61.69 61.50 1eal s THR 73 Cb -0.39 -0.87 0.08 0.00 0.01 0.00 0.00 72.50 71.33 1eal s THR 73 CO 0.43 -0.24 1.21 -0.51 -0.69 0.00 0.00 174.62 174.83 1eal s ILE 74 N -1.21 2.04 -0.75 1.82 1.10 -1.26 -3.56 121.20 119.38 1eal s ILE 74 Ca -0.04 0.02 -0.02 0.00 -0.51 0.00 0.00 60.65 60.10 1eal s ILE 74 Cb -0.09 -2.47 0.00 0.00 0.15 0.00 0.00 42.46 40.05 1eal s ILE 74 CO 0.01 -0.01 0.64 0.61 -2.11 0.00 0.00 174.94 174.08 1eal n GLY 75 N 0.53 -0.00 6.44 1.50 0.00 -1.26 -4.82 105.19 107.58 1eal n GLY 75 Ca 0.14 -0.13 0.01 0.00 0.00 0.00 0.00 46.02 46.04 1eal n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1eal n GLY 76 N -1.19 -1.38 1.31 -0.02 0.00 -1.23 -5.04 105.19 97.64 1eal n GLY 76 Ca -0.11 -1.15 0.06 0.00 0.00 0.00 0.00 46.02 44.82 1eal n GLY 76 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1eal n LYS 77 N -1.51 -2.71 -4.23 1.61 2.85 -1.26 -4.27 118.16 108.65 1eal n LYS 77 Ca 0.00 2.16 -0.13 0.00 -1.05 0.00 0.00 58.31 59.28 1eal n LYS 77 Cb 0.04 -3.02 -0.10 0.00 -0.65 0.00 0.00 35.03 31.30 1eal n LYS 77 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 1eal s LYS 78 N -4.79 1.29 -0.27 -1.58 1.02 -1.26 -2.58 119.74 111.57 1eal s LYS 78 Ca 0.00 -1.69 0.00 0.00 0.02 0.00 0.00 55.97 54.30 1eal s LYS 78 Cb 0.00 0.20 0.08 0.00 -0.52 0.00 0.00 37.83 37.59 1eal s LYS 78 CO 0.00 -0.40 0.03 -0.06 -0.92 0.00 0.00 175.35 173.99 1eal s PHE 79 N -4.03 2.11 0.03 3.18 0.08 -0.75 -4.95 117.98 113.65 1eal s PHE 79 Ca 0.39 -1.77 -0.30 0.00 0.12 0.00 0.00 56.93 55.36 1eal s PHE 79 Cb 0.07 -1.72 -0.07 0.00 -0.57 0.00 0.00 43.02 40.73 1eal s PHE 79 CO 0.14 -0.81 1.50 0.15 -0.10 0.00 0.00 175.22 176.10 1eal s LYS 80 N 1.48 4.25 0.11 0.44 1.02 -1.26 -1.54 119.74 124.25 1eal s LYS 80 Ca 0.03 2.11 -0.13 0.00 0.02 0.00 0.00 55.97 58.00 1eal s LYS 80 Cb -0.18 -3.59 0.02 0.00 -0.52 0.00 0.00 37.83 33.56 1eal s LYS 80 CO -0.14 -0.64 0.32 0.00 -0.92 0.00 0.00 175.35 173.97 1eal s ALA 81 N 2.52 -0.65 -0.35 5.17 0.00 0.63 -4.74 121.76 124.35 1eal s ALA 81 Ca 0.68 -0.28 -0.13 0.00 0.00 0.00 0.00 51.96 52.23 1eal s ALA 81 Cb -0.35 0.62 -0.01 0.00 0.00 0.00 0.00 23.12 23.39 1eal s ALA 81 CO 0.29 -0.60 0.24 0.99 0.00 0.00 0.00 175.76 176.68 1eal s THR 82 N -3.83 5.14 0.51 0.00 2.01 -0.81 0.11 115.64 118.76 1eal s THR 82 Ca 0.04 -0.36 -0.17 0.00 0.31 0.00 0.00 61.69 61.51 1eal s THR 82 Cb 0.03 -3.69 -0.08 0.00 0.01 0.00 0.00 72.50 68.77 1eal s THR 82 CO -0.11 -0.06 0.98 -0.69 -0.69 0.00 0.00 174.62 174.05 1eal s VAL 83 N 1.69 4.51 -0.28 3.82 1.01 -1.21 -2.93 120.40 127.01 1eal s VAL 83 Ca 0.05 1.24 -0.04 0.00 0.00 0.00 0.00 61.98 63.24 1eal s VAL 83 Cb -0.18 -3.70 0.16 0.00 0.00 0.00 0.00 36.38 32.66 1eal s VAL 83 CO 0.10 -0.65 0.54 -1.58 0.00 0.00 0.00 175.10 173.51 1eal s GLN 84 N -3.98 0.50 0.06 2.72 2.00 0.00 -2.78 119.66 118.18 1eal s GLN 84 Ca 0.59 1.00 0.04 0.00 -2.00 0.00 0.00 55.36 54.99 1eal s GLN 84 Cb -0.10 0.38 -0.04 0.00 0.80 0.00 0.00 33.01 34.05 1eal s GLN 84 CO 0.29 -0.50 -0.00 0.00 -0.50 0.00 0.00 175.29 174.58 1eal s MET 85 N 2.78 2.63 -0.24 1.67 0.23 -1.26 -0.77 119.30 124.33 1eal s MET 85 Ca 0.11 -0.76 -0.03 0.00 -1.03 0.00 0.00 55.69 53.99 1eal s MET 85 Cb -0.14 -2.58 0.13 0.00 -1.53 0.00 0.00 34.83 30.70 1eal s MET 85 CO -0.19 0.57 0.35 -1.21 -2.03 0.00 0.00 175.02 172.51 1eal s GLU 86 N -2.05 0.32 4.77 3.16 2.02 -1.00 -5.00 118.70 120.92 1eal s GLU 86 Ca 0.24 0.41 0.00 0.00 0.02 0.00 0.00 54.97 55.64 1eal s GLU 86 Cb -0.12 -0.62 0.00 0.00 0.10 0.00 0.00 34.13 33.50 1eal s GLU 86 CO 0.16 -0.69 0.00 0.41 0.02 0.00 0.00 175.26 175.16 1eal n GLY 87 N 5.35 1.62 2.57 -1.39 0.00 -1.26 -3.00 105.19 109.08 1eal n GLY 87 Ca -0.04 0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 1eal n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1eal n GLY 88 N 0.00 3.38 3.19 -0.02 0.00 -1.26 -5.07 105.19 105.41 1eal n GLY 88 Ca 0.00 -1.84 -0.09 0.00 0.00 0.00 0.00 46.02 44.09 1eal n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1eal s LYS 89 N -3.39 0.87 -0.03 1.61 1.02 -1.16 -3.44 119.74 115.21 1eal s LYS 89 Ca 0.36 -1.18 0.01 0.00 0.02 0.00 0.00 55.97 55.17 1eal s LYS 89 Cb 0.42 0.29 0.02 0.00 -0.52 0.00 0.00 37.83 38.04 1eal s LYS 89 CO -0.04 -0.26 -0.01 0.54 -0.92 0.00 0.00 175.35 174.66 1eal s VAL 90 N -3.94 0.25 0.07 3.17 0.11 0.42 -2.38 120.40 118.11 1eal s VAL 90 Ca 0.12 0.03 0.05 0.00 -2.93 0.00 0.00 61.98 59.25 1eal s VAL 90 Cb 0.06 -0.33 -0.04 0.00 -1.53 0.00 0.00 36.38 34.54 1eal s VAL 90 CO -0.06 0.16 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.16 1eal s VAL 91 N 0.95 3.90 0.01 2.04 1.01 0.05 -0.64 120.40 127.71 1eal s VAL 91 Ca -0.10 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 60.91 1eal s VAL 91 Cb -0.13 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 1eal s VAL 91 CO -0.01 0.18 -0.01 0.54 0.00 0.00 0.00 175.10 175.80 1eal s VAL 92 N -1.24 0.08 -0.05 2.92 0.11 0.23 -0.82 120.40 121.64 1eal s VAL 92 Ca 0.23 -0.69 -0.24 0.00 -2.93 0.00 0.00 61.98 58.35 1eal s VAL 92 Cb -0.12 -0.22 0.05 0.00 -1.53 0.00 0.00 36.38 34.56 1eal s VAL 92 CO 0.15 -0.38 0.54 0.54 -3.33 0.00 0.00 175.10 172.63 1eal s ASN 93 N -1.12 -0.49 0.33 3.54 4.22 -1.15 -2.02 114.94 118.24 1eal s ASN 93 Ca -0.12 0.55 0.05 0.00 -2.14 0.00 0.00 52.86 51.19 1eal s ASN 93 Cb -0.08 0.52 -0.03 0.00 1.28 0.00 0.00 41.25 42.95 1eal s ASN 93 CO -0.01 -0.52 0.21 -0.94 -2.04 0.00 0.00 177.10 173.81 1eal s SER 94 N -1.09 1.78 0.32 3.54 1.04 -0.86 -1.93 113.70 116.49 1eal s SER 94 Ca -0.11 -1.68 0.07 0.00 0.48 0.00 0.00 55.95 54.72 1eal s SER 94 Cb -0.02 0.50 0.76 0.00 0.10 0.00 0.00 66.02 67.36 1eal s SER 94 CO 0.07 -0.99 1.80 -0.65 0.98 0.00 0.00 173.24 174.46 1eal h PRO 95 N 2.11 0.73 0.00 4.02 0.11 -2.02 -3.38 132.00 133.56 1eal h PRO 95 Ca -0.30 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.76 1eal h PRO 95 Cb 1.25 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1eal h PRO 95 CO 0.45 0.48 -0.27 -1.71 -0.21 0.00 0.00 178.00 176.74 1eal n ASN 96 N -4.70 0.92 -4.80 -2.05 2.85 -1.26 -5.06 115.26 101.17 1eal n ASN 96 Ca 0.22 0.12 -0.32 0.00 -0.11 0.00 0.00 54.58 54.49 1eal n ASN 96 Cb 0.55 -0.29 0.04 0.00 1.24 0.00 0.00 39.78 41.33 1eal n ASN 96 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 1eal s TYR 97 N -2.04 2.89 0.03 1.20 6.14 -1.26 -3.74 117.35 120.57 1eal s TYR 97 Ca -0.01 1.50 -0.18 0.00 0.64 0.00 0.00 57.07 59.02 1eal s TYR 97 Cb 0.00 -3.01 0.03 0.00 0.42 0.00 0.00 41.96 39.41 1eal s TYR 97 CO 0.02 -1.37 0.40 -1.58 0.64 0.00 0.00 175.55 173.67 1eal s HIS 98 N -2.67 -0.26 0.01 4.97 2.46 -0.98 -2.03 115.29 116.79 1eal s HIS 98 Ca 0.62 0.25 -0.24 0.00 0.47 0.00 0.00 55.06 56.16 1eal s HIS 98 Cb -0.16 0.20 0.05 0.00 -0.13 0.00 0.00 32.58 32.54 1eal s HIS 98 CO 0.46 -0.55 0.55 -1.58 -2.47 0.00 0.00 174.74 171.15 1eal s HIS 99 N -2.30 -0.47 0.06 3.88 5.04 -0.86 -1.08 115.29 119.55 1eal s HIS 99 Ca -0.06 0.66 -0.05 0.00 -1.54 0.00 0.00 55.06 54.06 1eal s HIS 99 Cb -0.01 0.34 -0.02 0.00 0.04 0.00 0.00 32.58 32.93 1eal s HIS 99 CO -0.01 -0.61 0.09 0.95 -2.34 0.00 0.00 174.74 172.82 1eal s THR 100 N -1.94 0.16 -0.03 0.89 -4.23 -0.49 -0.60 115.64 109.41 1eal s THR 100 Ca -0.08 -1.32 -0.06 0.00 -1.18 0.00 0.00 61.69 59.04 1eal s THR 100 Cb -0.01 -1.20 0.01 0.00 1.34 0.00 0.00 72.50 72.64 1eal s THR 100 CO 0.03 -0.73 0.15 0.00 -0.54 0.00 0.00 174.62 173.52 1eal s ALA 101 N -3.35 -0.36 0.11 3.99 0.00 0.18 -2.05 121.76 120.28 1eal s ALA 101 Ca 0.01 0.19 -0.08 0.00 0.00 0.00 0.00 51.96 52.08 1eal s ALA 101 Cb 0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 1eal s ALA 101 CO -0.08 -0.13 0.20 -1.21 0.00 0.00 0.00 175.76 174.54 1eal s GLU 102 N -0.56 0.91 0.05 0.00 2.02 0.62 -0.43 118.70 121.31 1eal s GLU 102 Ca -0.06 -1.03 0.08 0.00 0.02 0.00 0.00 54.97 53.97 1eal s GLU 102 Cb -0.04 0.34 -0.03 0.00 0.10 0.00 0.00 34.13 34.51 1eal s GLU 102 CO 0.01 -0.30 -0.23 0.42 0.02 0.00 0.00 175.26 175.18 1eal s ILE 103 N -3.89 1.83 -0.21 -1.63 -1.09 -1.22 -0.35 121.20 114.63 1eal s ILE 103 Ca 0.08 -1.27 -0.26 0.00 -2.23 0.00 0.00 60.65 56.97 1eal s ILE 103 Cb 0.05 -1.58 0.07 0.00 -1.58 0.00 0.00 42.46 39.41 1eal s ILE 103 CO -0.08 0.25 0.69 0.54 -1.23 0.00 0.00 174.94 175.11 1eal s VAL 104 N -0.81 0.00 -1.56 2.92 0.11 -0.69 -4.92 120.40 115.45 1eal s VAL 104 Ca 0.09 -0.01 -0.08 0.00 -2.93 0.00 0.00 61.98 59.06 1eal s VAL 104 Cb -0.09 -0.97 0.07 0.00 -1.53 0.00 0.00 36.38 33.85 1eal s VAL 104 CO 0.02 -0.00 0.48 -0.67 -3.33 0.00 0.00 175.10 171.60 1eal n ASP 105 N 2.28 -1.20 -3.82 3.54 2.03 -1.26 0.08 116.55 118.20 1eal n ASP 105 Ca -0.15 -1.07 -0.30 0.00 0.52 0.00 0.00 54.79 53.79 1eal n ASP 105 Cb 0.56 -2.63 0.00 0.00 -0.72 0.00 0.00 41.12 38.33 1eal n ASP 105 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1eal n GLY 106 N -1.84 -0.48 3.31 0.27 0.00 -1.26 -4.97 105.19 100.21 1eal n GLY 106 Ca -0.16 0.15 -0.16 0.00 0.00 0.00 0.00 46.02 45.85 1eal n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1eal s LYS 107 N -6.51 1.30 0.06 1.61 1.02 0.11 -3.98 119.74 113.35 1eal s LYS 107 Ca 0.61 -1.66 0.08 0.00 0.02 0.00 0.00 55.97 55.02 1eal s LYS 107 Cb -0.32 -0.47 -0.03 0.00 -0.52 0.00 0.00 37.83 36.49 1eal s LYS 107 CO 0.75 -0.14 -0.22 -1.17 -0.92 0.00 0.00 175.35 173.65 1eal s LEU 108 N -3.28 2.46 -0.07 3.17 2.96 -0.74 -1.71 118.68 121.47 1eal s LEU 108 Ca 0.29 -0.53 -0.03 0.00 -0.22 0.00 0.00 54.13 53.64 1eal s LEU 108 Cb 0.06 -1.42 0.04 0.00 0.50 0.00 0.00 46.19 45.38 1eal s LEU 108 CO 0.08 0.24 0.15 -0.69 -1.32 0.00 0.00 176.35 174.81 1eal s VAL 109 N -0.94 -0.15 0.23 1.68 1.01 0.52 0.06 120.40 122.81 1eal s VAL 109 Ca 0.14 0.27 -0.06 0.00 0.00 0.00 0.00 61.98 62.33 1eal s VAL 109 Cb -0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 35.99 1eal s VAL 109 CO 0.05 0.11 0.31 -1.61 0.00 0.00 0.00 175.10 173.96 1eal s GLU 110 N 1.73 1.42 -0.15 2.72 2.02 -0.91 -0.27 118.70 125.25 1eal s GLU 110 Ca -0.03 -1.49 -0.24 0.00 0.02 0.00 0.00 54.97 53.23 1eal s GLU 110 Cb -0.12 0.37 0.06 0.00 0.10 0.00 0.00 34.13 34.54 1eal s GLU 110 CO -0.06 -0.54 0.61 0.54 0.02 0.00 0.00 175.26 175.84 1eal s VAL 111 N -3.99 0.01 0.18 2.63 0.11 -0.87 -1.41 120.40 117.05 1eal s VAL 111 Ca 0.31 -0.05 0.05 0.00 -2.93 0.00 0.00 61.98 59.36 1eal s VAL 111 Cb 0.03 -0.89 -0.05 0.00 -1.53 0.00 0.00 36.38 33.95 1eal s VAL 111 CO 0.12 -0.03 -0.09 -0.94 -3.33 0.00 0.00 175.10 170.84 1eal s SER 112 N -0.32 1.97 -0.02 3.54 1.04 -0.94 -1.39 113.70 117.57 1eal s SER 112 Ca -0.05 -1.06 -0.20 0.00 0.48 0.00 0.00 55.95 55.12 1eal s SER 112 Cb -0.03 -0.03 0.04 0.00 0.10 0.00 0.00 66.02 66.09 1eal s SER 112 CO 0.04 -0.34 0.42 -0.89 0.98 0.00 0.00 173.24 173.45 1eal s THR 113 N -3.27 0.04 -0.42 2.02 2.01 -0.24 0.79 115.64 116.57 1eal s THR 113 Ca 0.21 -0.34 0.08 0.00 0.31 0.00 0.00 61.69 61.95 1eal s THR 113 Cb 0.03 -0.73 0.26 0.00 0.01 0.00 0.00 72.50 72.06 1eal s THR 113 CO 0.04 -0.19 0.57 0.55 -0.69 0.00 0.00 174.62 174.90 1eal n VAL 114 N 1.15 -0.25 0.00 3.82 3.14 -0.93 -2.32 118.33 122.95 1eal n VAL 114 Ca -0.21 -4.22 0.00 0.00 -2.96 0.00 0.00 64.34 56.95 1eal n VAL 114 Cb 0.56 -1.82 0.00 0.00 -1.06 0.00 0.00 33.84 31.52 1eal n VAL 114 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1eal n GLY 115 N 1.22 1.70 0.56 7.55 0.00 -1.25 -4.06 105.19 110.93 1eal n GLY 115 Ca 0.23 -0.26 0.06 0.00 0.00 0.00 0.00 46.02 46.05 1eal n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1eal n GLY 116 N 0.00 4.74 2.80 -0.02 0.00 -1.26 -4.95 105.19 106.49 1eal n GLY 116 Ca 0.00 -1.16 -0.17 0.00 0.00 0.00 0.00 46.02 44.68 1eal n GLY 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1eal s VAL 117 N -3.00 -0.32 0.75 1.61 1.01 -1.26 -5.15 120.40 114.04 1eal s VAL 117 Ca 0.38 0.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.28 1eal s VAL 117 Cb 0.33 -0.57 0.05 0.00 0.00 0.00 0.00 36.38 36.19 1eal s VAL 117 CO 0.02 -0.09 1.12 -0.44 0.00 0.00 0.00 175.10 175.71 1eal s SER 118 N 2.33 4.97 -0.46 3.32 0.01 -1.26 -2.18 113.70 120.43 1eal s SER 118 Ca 0.05 0.90 0.05 0.00 1.31 0.00 0.00 55.95 58.27 1eal s SER 118 Cb -0.14 -1.55 0.18 0.00 0.21 0.00 0.00 66.02 64.71 1eal s SER 118 CO -0.10 -1.61 0.53 0.00 0.41 0.00 0.00 173.24 172.46 1eal n TYR 119 N -3.13 -2.32 -0.68 2.43 9.36 0.24 -4.79 117.16 118.26 1eal n TYR 119 Ca 0.07 -2.38 -0.32 0.00 3.32 0.00 0.00 57.90 58.59 1eal n TYR 119 Cb 0.59 0.85 0.17 0.00 -0.63 0.00 0.00 39.34 40.32 1eal n TYR 119 CO 0.00 0.00 0.00 -1.91 0.22 0.00 0.00 176.86 175.17 1eal n GLU 120 N 2.88 -1.09 -3.12 2.98 2.13 -1.26 -2.22 120.64 120.94 1eal n GLU 120 Ca 0.24 -0.28 0.03 0.00 0.66 0.00 0.00 57.16 57.82 1eal n GLU 120 Cb 0.52 -1.94 -0.00 0.00 0.27 0.00 0.00 31.44 30.28 1eal n GLU 120 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 1eal s ARG 121 N -3.87 0.48 0.58 5.31 1.70 -0.50 -4.81 118.95 117.85 1eal s ARG 121 Ca 0.60 0.20 -0.18 0.00 -0.47 0.00 0.00 55.73 55.88 1eal s ARG 121 Cb -0.19 0.15 -0.04 0.00 -0.57 0.00 0.00 34.95 34.29 1eal s ARG 121 CO 0.65 -0.81 1.11 0.54 -1.08 0.00 0.00 175.30 175.71 1eal s VAL 122 N 2.53 3.31 0.06 4.99 0.11 -1.25 -2.14 120.40 128.02 1eal s VAL 122 Ca 0.16 0.72 -0.04 0.00 -2.93 0.00 0.00 61.98 59.89 1eal s VAL 122 Cb -0.05 -3.25 -0.02 0.00 -1.53 0.00 0.00 36.38 31.53 1eal s VAL 122 CO -0.20 -0.27 0.06 -0.55 -3.33 0.00 0.00 175.10 170.82 1eal s SER 123 N -2.17 0.32 0.11 3.54 0.15 0.11 -3.94 113.70 111.82 1eal s SER 123 Ca 0.69 -0.82 0.02 0.00 0.70 0.00 0.00 55.95 56.54 1eal s SER 123 Cb -0.21 0.25 -0.04 0.00 -1.71 0.00 0.00 66.02 64.31 1eal s SER 123 CO 0.32 -0.63 -0.05 -0.54 1.20 0.00 0.00 173.24 173.54 1eal s LYS 124 N -3.72 0.88 0.16 5.44 1.02 0.31 -1.78 119.74 122.04 1eal s LYS 124 Ca 0.05 -1.37 -0.14 0.00 0.02 0.00 0.00 55.97 54.53 1eal s LYS 124 Cb 0.06 -0.20 -0.07 0.00 -0.52 0.00 0.00 37.83 37.09 1eal s LYS 124 CO -0.10 -0.04 0.56 0.21 -0.92 0.00 0.00 175.35 175.06 1eal s LYS 125 N -3.85 3.96 -0.07 1.68 2.20 -1.26 -0.42 119.74 121.99 1eal s LYS 125 Ca 0.14 0.47 -0.11 0.00 -0.36 0.00 0.00 55.97 56.11 1eal s LYS 125 Cb 0.05 -2.88 -0.07 0.00 -1.51 0.00 0.00 37.83 33.42 1eal s LYS 125 CO -0.03 0.45 0.44 -0.07 -0.36 0.00 0.00 175.35 175.78 1eal h LEU 126 N 3.40 -0.22 0.00 5.43 4.07 -1.90 -3.46 115.31 122.62 1eal h LEU 126 Ca -0.48 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.37 1eal h LEU 126 Cb 1.19 0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.99 1eal h LEU 126 CO 0.66 0.28 0.00 0.00 -1.08 0.00 0.00 178.44 178.31