#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1eal h PHE 2 N 0.00 -0.54 -6.31 0.00 0.04 -1.97 -3.48 116.94 104.69 1eal h PHE 2 Ca 0.00 -0.01 -0.33 0.00 2.80 0.00 0.00 57.97 60.43 1eal h PHE 2 Cb 0.00 0.18 0.00 0.00 2.20 0.00 0.00 35.95 38.33 1eal h PHE 2 CO 0.00 -0.21 -0.85 2.41 -0.60 0.00 0.00 178.31 179.05 1eal n THR 3 N -5.22 -5.53 -3.90 -1.55 -1.04 -1.25 -4.97 114.28 90.82 1eal n THR 3 Ca -0.10 0.04 0.03 0.00 -2.04 0.00 0.00 64.05 61.98 1eal n THR 3 Cb 0.29 -4.26 0.01 0.00 -1.82 0.00 0.00 70.33 64.56 1eal n THR 3 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1eal s GLY 4 N -2.63 -0.21 0.23 3.41 0.00 -0.75 -5.00 107.32 102.37 1eal s GLY 4 Ca 0.11 0.22 0.05 0.00 0.00 0.00 0.00 44.72 45.09 1eal s GLY 4 CO 0.85 4.48 0.32 0.54 0.00 0.00 0.00 173.10 179.29 1eal s LYS 5 N -2.09 3.35 -0.20 2.90 1.02 -1.26 -1.77 119.74 121.68 1eal s LYS 5 Ca 0.26 -0.79 -0.04 0.00 0.02 0.00 0.00 55.97 55.42 1eal s LYS 5 Cb 0.01 -2.84 0.10 0.00 -0.52 0.00 0.00 37.83 34.58 1eal s LYS 5 CO -0.02 0.44 0.34 0.71 -0.92 0.00 0.00 175.35 175.90 1eal s TYR 6 N -1.97 -0.65 -0.15 3.18 2.02 0.87 -3.89 117.35 116.76 1eal s TYR 6 Ca 0.34 0.92 -0.26 0.00 -0.37 0.00 0.00 57.07 57.70 1eal s TYR 6 Cb -0.09 0.01 -0.02 0.00 -0.40 0.00 0.00 41.96 41.47 1eal s TYR 6 CO 0.28 -0.57 0.86 -2.00 -1.57 0.00 0.00 175.55 172.55 1eal s GLU 7 N 2.50 4.33 0.37 -0.62 2.12 0.88 0.01 118.70 128.29 1eal s GLU 7 Ca 0.06 1.08 -0.27 0.00 0.36 0.00 0.00 54.97 56.21 1eal s GLU 7 Cb -0.14 -3.56 -0.09 0.00 0.26 0.00 0.00 34.13 30.60 1eal s GLU 7 CO -0.13 -0.30 1.22 -1.50 -0.54 0.00 0.00 175.26 174.01 1eal s ILE 8 N 2.04 2.98 -0.17 -3.70 2.07 -0.77 -1.84 121.20 121.81 1eal s ILE 8 Ca 0.40 0.89 -0.15 0.00 -1.41 0.00 0.00 60.65 60.39 1eal s ILE 8 Cb -0.17 -3.53 -0.07 0.00 0.13 0.00 0.00 42.46 38.82 1eal s ILE 8 CO 0.14 0.14 -0.31 1.21 -1.91 0.00 0.00 174.94 174.21 1eal n GLU 9 N 0.39 0.47 -4.33 3.50 2.13 -0.92 -4.79 120.64 117.09 1eal n GLU 9 Ca 0.03 0.19 -0.24 0.00 0.66 0.00 0.00 57.16 57.80 1eal n GLU 9 Cb 0.45 -1.32 -0.12 0.00 0.27 0.00 0.00 31.44 30.72 1eal n GLU 9 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1eal s SER 10 N -6.28 2.79 -0.38 4.31 0.15 -1.24 -5.08 113.70 107.97 1eal s SER 10 Ca -0.28 -0.79 0.11 0.00 0.70 0.00 0.00 55.95 55.69 1eal s SER 10 Cb 0.06 -0.17 0.33 0.00 -1.71 0.00 0.00 66.02 64.54 1eal s SER 10 CO 0.39 0.04 0.71 1.21 1.20 0.00 0.00 173.24 176.78 1eal n GLU 11 N 0.61 1.05 -2.54 5.44 2.13 -1.26 -3.42 120.64 122.64 1eal n GLU 11 Ca -0.16 -3.43 -0.33 0.00 0.66 0.00 0.00 57.16 53.90 1eal n GLU 11 Cb 0.55 -1.66 -0.04 0.00 0.27 0.00 0.00 31.44 30.56 1eal n GLU 11 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1eal s LYS 12 N -2.29 3.90 -1.29 5.31 2.20 -1.24 -3.78 119.74 122.54 1eal s LYS 12 Ca 0.40 1.20 -0.01 0.00 -0.36 0.00 0.00 55.97 57.19 1eal s LYS 12 Cb 0.32 -2.12 0.01 0.00 -1.51 0.00 0.00 37.83 34.52 1eal s LYS 12 CO -0.09 -0.33 0.82 -1.71 -0.36 0.00 0.00 175.35 173.69 1eal n ASN 13 N -1.10 -1.80 -0.05 1.43 5.15 -1.26 -4.07 115.26 113.55 1eal n ASN 13 Ca 0.08 -0.75 -0.18 0.00 -0.60 0.00 0.00 54.58 53.13 1eal n ASN 13 Cb 0.53 -4.39 -0.13 0.00 -0.53 0.00 0.00 39.78 35.26 1eal n ASN 13 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1eal n TYR 14 N -4.28 0.69 0.08 1.20 4.11 -1.25 -4.14 117.16 113.57 1eal n TYR 14 Ca -0.27 0.16 -0.12 0.00 -0.00 0.00 0.00 57.90 57.67 1eal n TYR 14 Cb 0.66 -1.09 -0.05 0.00 -0.00 0.00 0.00 39.34 38.86 1eal n TYR 14 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.86 177.08 1eal h ASP 15 N 0.03 -0.48 -0.38 9.48 3.58 -1.91 0.47 116.42 127.21 1eal h ASP 15 Ca -0.48 0.06 -0.06 0.00 0.42 0.00 0.00 57.03 56.97 1eal h ASP 15 Cb 2.00 0.19 -0.01 0.00 1.72 0.00 0.00 39.33 43.23 1eal h ASP 15 CO 0.02 -0.24 -0.01 -0.33 -2.88 0.00 0.00 179.24 175.80 1eal h GLU 16 N -0.31 0.68 -0.27 0.28 3.07 -1.97 0.16 114.58 116.21 1eal h GLU 16 Ca 0.04 -0.22 -0.02 0.00 -0.50 0.00 0.00 59.36 58.65 1eal h GLU 16 Cb 0.35 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1eal h GLU 16 CO -0.13 0.79 0.09 0.35 -1.40 0.00 0.00 179.01 178.71 1eal h PHE 17 N 0.50 0.44 0.00 4.33 3.04 -1.67 -1.54 116.94 122.04 1eal h PHE 17 Ca 0.11 -0.04 -0.08 0.00 3.98 0.00 0.00 57.97 61.93 1eal h PHE 17 Cb 0.49 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.86 1eal h PHE 17 CO 0.04 0.47 -0.38 1.98 -2.02 0.00 0.00 178.31 178.40 1eal h MET 18 N 0.28 0.00 -0.26 1.11 4.05 0.13 -1.72 114.93 118.53 1eal h MET 18 Ca 0.09 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.40 1eal h MET 18 Cb 0.23 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.02 1eal h MET 18 CO -0.00 0.38 -0.32 0.87 0.23 0.00 0.00 176.91 178.07 1eal h LYS 19 N 0.00 0.54 -0.13 0.39 1.79 -0.36 0.19 116.57 118.99 1eal h LYS 19 Ca -0.00 -0.24 0.03 0.00 -2.18 0.00 0.00 60.65 58.26 1eal h LYS 19 Cb 0.75 -0.02 -0.03 0.00 -1.58 0.00 0.00 32.23 31.35 1eal h LYS 19 CO 0.05 0.79 -0.07 0.00 -1.08 0.00 0.00 179.45 179.15 1eal h ARG 20 N 0.46 -0.05 -0.78 3.15 2.47 -0.37 0.10 114.38 119.37 1eal h ARG 20 Ca 0.06 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.81 1eal h ARG 20 Cb 0.78 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 29.07 1eal h ARG 20 CO 0.06 -0.04 0.51 -0.07 0.56 0.00 0.00 179.97 181.00 1eal h LEU 21 N -0.06 0.83 -2.63 3.04 4.07 -1.31 -3.47 115.31 115.77 1eal h LEU 21 Ca 0.07 -0.01 -0.05 0.00 0.08 0.00 0.00 57.88 57.97 1eal h LEU 21 Cb 0.17 -0.19 0.04 0.00 1.08 0.00 0.00 40.66 41.75 1eal h LEU 21 CO -0.17 0.57 -0.16 0.00 -1.08 0.00 0.00 178.44 177.60 1eal n ALA 22 N -2.42 -0.76 -2.29 1.53 0.00 0.64 -4.74 120.51 112.47 1eal n ALA 22 Ca 0.10 0.02 -0.32 0.00 0.00 0.00 0.00 53.44 53.24 1eal n ALA 22 Cb 0.11 -1.37 -0.05 0.00 0.00 0.00 0.00 19.45 18.14 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 -3.31 4.09 1.14 0.00 1.43 -1.18 -4.99 118.68 115.86 1eal s LEU 23 Ca 0.07 1.07 -0.15 0.00 -1.03 0.00 0.00 54.13 54.09 1eal s LEU 23 Cb -0.01 -3.86 0.26 0.00 0.03 0.00 0.00 46.19 42.61 1eal s LEU 23 CO 0.15 -0.17 1.06 -2.16 0.23 0.00 0.00 176.35 175.46 1eal s PRO 24 N -3.03 -0.69 0.16 1.29 0.04 -1.26 -4.58 135.00 126.93 1eal s PRO 24 Ca 0.50 0.47 -0.16 0.00 0.04 0.00 0.00 61.00 61.85 1eal s PRO 24 Cb -0.11 -1.61 0.06 0.00 0.04 0.00 0.00 34.50 32.88 1eal s PRO 24 CO 0.21 -3.47 1.78 1.03 0.04 0.00 0.00 177.00 176.59 1eal h SER 25 N -2.42 0.28 -0.29 6.66 0.87 -1.99 -1.17 113.55 115.49 1eal h SER 25 Ca -0.55 0.02 0.04 0.00 -1.23 0.00 0.00 61.79 60.07 1eal h SER 25 Cb 1.33 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 63.22 1eal h SER 25 CO 0.49 0.21 0.06 -2.24 -0.53 0.00 0.00 176.83 174.82 1eal h ASP 26 N 0.40 0.02 -0.68 6.23 2.03 -1.99 0.54 116.42 122.97 1eal h ASP 26 Ca 0.17 0.05 0.07 0.00 -0.73 0.00 0.00 57.03 56.59 1eal h ASP 26 Cb 0.08 0.06 -0.06 0.00 -0.83 0.00 0.00 39.33 38.58 1eal h ASP 26 CO -0.12 0.04 0.36 0.00 -1.03 0.00 0.00 179.24 178.50 1eal h ALA 27 N 1.21 0.92 -0.23 4.15 0.00 -1.68 0.20 119.26 123.84 1eal h ALA 27 Ca 0.13 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1eal h ALA 27 Cb 0.14 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1eal h ALA 27 CO -0.18 0.01 0.11 0.82 0.00 0.00 0.00 179.25 180.02 1eal h ILE 28 N 0.65 1.00 -0.52 0.00 2.04 -0.47 -2.13 117.51 118.08 1eal h ILE 28 Ca 0.32 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 66.08 1eal h ILE 28 Cb 0.26 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 1eal h ILE 28 CO -0.22 0.04 0.27 0.44 0.00 0.00 0.00 178.15 178.69 1eal h ASP 29 N 0.24 0.65 -0.60 1.72 3.32 0.93 -1.94 116.42 120.74 1eal h ASP 29 Ca 0.09 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1eal h ASP 29 Cb 0.02 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 1eal h ASP 29 CO -0.06 0.54 0.33 0.11 -1.72 0.00 0.00 179.24 178.43 1eal h LYS 30 N 0.73 0.84 -0.83 3.56 1.79 -0.04 0.66 116.57 123.27 1eal h LYS 30 Ca 0.19 -0.10 0.07 0.00 -2.18 0.00 0.00 60.65 58.63 1eal h LYS 30 Cb 0.04 -0.17 -0.06 0.00 -1.58 0.00 0.00 32.23 30.47 1eal h LYS 30 CO -0.03 0.64 0.50 0.00 -1.08 0.00 0.00 179.45 179.49 1eal h ALA 31 N 1.16 1.16 0.29 3.86 0.00 -0.95 -1.35 119.26 123.42 1eal h ALA 31 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1eal h ALA 31 Cb 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1eal h ALA 31 CO -0.03 0.21 -0.14 -0.09 0.00 0.00 0.00 179.25 179.20 1eal h ARG 32 N 0.90 -0.37 0.13 0.00 1.12 -0.36 -3.38 114.38 112.42 1eal h ARG 32 Ca 0.37 0.03 -0.28 0.00 -1.11 0.00 0.00 59.98 58.99 1eal h ARG 32 Cb 0.22 0.08 0.01 0.00 -0.01 0.00 0.00 29.97 30.27 1eal h ARG 32 CO -0.19 -0.25 -1.27 -2.95 -3.11 0.00 0.00 179.97 172.20 1eal h ASN 33 N -0.41 0.44 -4.23 -3.80 -1.07 -0.90 -3.45 115.58 102.16 1eal h ASN 33 Ca -0.04 -0.48 -0.50 0.00 0.07 0.00 0.00 56.30 55.35 1eal h ASN 33 Cb 0.30 -0.14 0.14 0.00 -2.07 0.00 0.00 38.32 36.54 1eal h ASN 33 CO 0.07 1.38 0.29 -0.76 0.07 0.00 0.00 177.43 178.47 1eal s LEU 34 N -7.16 2.75 -0.61 6.14 1.43 -0.52 -4.98 118.68 115.74 1eal s LEU 34 Ca -0.04 1.72 -0.06 0.00 -1.03 0.00 0.00 54.13 54.71 1eal s LEU 34 Cb 0.07 -4.31 0.16 0.00 0.03 0.00 0.00 46.19 42.14 1eal s LEU 34 CO 0.89 -2.28 0.46 -0.75 0.23 0.00 0.00 176.35 174.90 1eal s LYS 35 N -4.91 2.69 0.22 1.70 2.47 -1.26 -4.88 119.74 115.78 1eal s LYS 35 Ca 0.62 -2.30 -0.31 0.00 -1.56 0.00 0.00 55.97 52.43 1eal s LYS 35 Cb -0.18 -3.89 -0.11 0.00 -1.46 0.00 0.00 37.83 32.20 1eal s LYS 35 CO 0.56 -1.19 1.56 0.42 0.16 0.00 0.00 175.35 176.86 1eal s ILE 36 N 0.38 2.44 -0.55 5.43 1.01 -1.26 -4.32 121.20 124.34 1eal s ILE 36 Ca 0.14 0.34 -0.14 0.00 0.00 0.00 0.00 60.65 61.00 1eal s ILE 36 Cb -0.20 -3.22 0.14 0.00 0.01 0.00 0.00 42.46 39.19 1eal s ILE 36 CO -0.04 0.04 0.48 -0.63 0.00 0.00 0.00 174.94 174.79 1eal s ILE 37 N 0.61 4.94 0.58 2.92 -1.09 0.02 -1.84 121.20 127.34 1eal s ILE 37 Ca 0.66 -1.70 -0.17 0.00 -2.23 0.00 0.00 60.65 57.21 1eal s ILE 37 Cb -0.45 -4.17 -0.04 0.00 -1.58 0.00 0.00 42.46 36.22 1eal s ILE 37 CO 0.38 -0.86 1.07 -0.55 -1.23 0.00 0.00 174.94 173.75 1eal s SER 38 N 3.14 5.73 -0.12 3.58 0.15 0.10 -2.58 113.70 123.70 1eal s SER 38 Ca 0.05 1.92 -0.20 0.00 0.70 0.00 0.00 55.95 58.43 1eal s SER 38 Cb -0.27 -2.55 0.05 0.00 -1.71 0.00 0.00 66.02 61.54 1eal s SER 38 CO 0.01 -1.20 0.50 -0.70 1.20 0.00 0.00 173.24 173.04 1eal s GLU 39 N -3.83 0.71 -0.03 5.44 -6.30 -0.46 -0.09 118.70 114.14 1eal s GLU 39 Ca 0.66 0.40 -0.05 0.00 -2.50 0.00 0.00 54.97 53.49 1eal s GLU 39 Cb -0.18 0.34 0.01 0.00 0.00 0.00 0.00 34.13 34.29 1eal s GLU 39 CO 0.34 -0.15 0.11 0.08 0.02 0.00 0.00 175.26 175.65 1eal s VAL 40 N -0.41 0.03 -0.08 3.70 1.01 -0.73 -0.25 120.40 123.67 1eal s VAL 40 Ca -0.06 -0.27 -0.00 0.00 0.00 0.00 0.00 61.98 61.65 1eal s VAL 40 Cb -0.03 -0.25 0.02 0.00 0.00 0.00 0.00 36.38 36.12 1eal s VAL 40 CO 0.03 -0.15 -0.04 -1.59 0.00 0.00 0.00 175.10 173.35 1eal s LYS 41 N -0.47 0.99 0.26 2.72 -2.85 -0.91 -1.81 119.74 117.68 1eal s LYS 41 Ca -0.05 -0.08 -0.22 0.00 -1.00 0.00 0.00 55.97 54.62 1eal s LYS 41 Cb -0.04 -1.14 -0.09 0.00 -2.06 0.00 0.00 37.83 34.51 1eal s LYS 41 CO 0.00 -0.21 0.80 -1.14 0.10 0.00 0.00 175.35 174.90 1eal s GLN 42 N 1.54 4.35 -0.44 1.78 0.74 -1.26 -2.01 119.66 124.36 1eal s GLN 42 Ca -0.00 1.01 0.10 0.00 0.05 0.00 0.00 55.36 56.51 1eal s GLN 42 Cb -0.13 -2.84 0.34 0.00 1.10 0.00 0.00 33.01 31.47 1eal s GLN 42 CO -0.04 0.35 0.77 -0.25 -0.55 0.00 0.00 175.29 175.57 1eal n ASP 43 N 0.64 1.88 -2.46 6.67 8.00 0.33 -4.95 116.55 126.65 1eal n ASP 43 Ca -0.01 -3.18 -0.05 0.00 0.71 0.00 0.00 54.79 52.25 1eal n ASP 43 Cb 0.51 -0.61 0.01 0.00 -0.02 0.00 0.00 41.12 41.01 1eal n ASP 43 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1eal n GLY 44 N 0.25 -1.33 3.62 0.44 0.00 -1.26 -3.98 105.19 102.92 1eal n GLY 44 Ca 0.26 0.84 -0.26 0.00 0.00 0.00 0.00 46.02 46.86 1eal n GLY 44 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1eal n GLN 45 N -0.30 -2.09 -3.58 1.61 3.00 -1.26 -5.00 117.38 109.75 1eal n GLN 45 Ca 0.08 0.56 -0.12 0.00 -0.01 0.00 0.00 57.00 57.51 1eal n GLN 45 Cb 0.31 -4.63 -0.06 0.00 0.00 0.00 0.00 30.24 25.86 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 -3.64 -0.46 -0.38 1.08 2.47 -1.26 -4.51 114.94 108.25 1eal s ASN 46 Ca 0.37 0.61 0.01 0.00 0.42 0.00 0.00 52.86 54.28 1eal s ASN 46 Cb -0.11 0.53 0.13 0.00 -1.45 0.00 0.00 41.25 40.35 1eal s ASN 46 CO 0.83 -0.34 0.20 -0.36 -3.72 0.00 0.00 177.10 173.71 1eal s PHE 47 N -0.75 1.43 -0.86 0.43 0.40 0.08 -0.51 117.98 118.20 1eal s PHE 47 Ca -0.02 -1.97 -0.25 0.00 -0.60 0.00 0.00 56.93 54.09 1eal s PHE 47 Cb -0.02 -1.49 -0.01 0.00 0.51 0.00 0.00 43.02 42.02 1eal s PHE 47 CO 0.01 -0.82 1.73 0.99 0.70 0.00 0.00 175.22 177.83 1eal s THR 48 N 0.89 3.58 0.35 0.64 2.01 -0.85 -2.04 115.64 120.21 1eal s THR 48 Ca 0.16 -0.27 -0.06 0.00 0.31 0.00 0.00 61.69 61.83 1eal s THR 48 Cb -0.22 -4.37 -0.05 0.00 0.01 0.00 0.00 72.50 67.86 1eal s THR 48 CO -0.05 -1.30 0.64 0.86 -0.69 0.00 0.00 174.62 174.07 1eal s TRP 49 N 8.07 3.49 0.01 4.92 -0.11 -1.23 -2.13 118.94 131.96 1eal s TRP 49 Ca 0.59 0.74 -0.21 0.00 1.22 0.00 0.00 56.10 58.44 1eal s TRP 49 Cb -0.06 -2.19 0.04 0.00 -1.50 0.00 0.00 33.47 29.76 1eal s TRP 49 CO 0.03 0.04 0.47 0.45 -4.62 0.00 0.00 176.95 173.32 1eal s SER 50 N -3.36 -0.38 -0.36 5.86 0.15 0.65 -1.55 113.70 114.70 1eal s SER 50 Ca 0.46 0.20 0.01 0.00 0.70 0.00 0.00 55.95 57.33 1eal s SER 50 Cb -0.10 0.44 0.11 0.00 -1.71 0.00 0.00 66.02 64.76 1eal s SER 50 CO 0.33 -0.62 0.13 -1.10 1.20 0.00 0.00 173.24 173.18 1eal s GLN 51 N -1.96 1.13 -0.29 5.44 -0.21 -0.92 -1.36 119.66 121.50 1eal s GLN 51 Ca -0.08 -1.61 -0.14 0.00 0.02 0.00 0.00 55.36 53.55 1eal s GLN 51 Cb -0.02 -2.47 -0.03 0.00 1.00 0.00 0.00 33.01 31.49 1eal s GLN 51 CO 0.02 -1.03 0.31 -0.65 -2.12 0.00 0.00 175.29 171.82 1eal s GLN 52 N 1.00 3.88 -0.24 2.91 -0.21 -1.07 -2.04 119.66 123.89 1eal s GLN 52 Ca 0.12 -0.19 -0.16 0.00 0.02 0.00 0.00 55.36 55.16 1eal s GLN 52 Cb -0.20 -3.70 -0.04 0.00 1.00 0.00 0.00 33.01 30.08 1eal s GLN 52 CO -0.13 -0.31 0.41 0.71 -2.12 0.00 0.00 175.29 173.85 1eal s TYR 53 N 1.96 3.31 -0.77 0.91 1.51 -1.08 -0.80 117.35 122.39 1eal s TYR 53 Ca 0.12 0.54 -0.07 0.00 -1.01 0.00 0.00 57.07 56.65 1eal s TYR 53 Cb -0.16 -2.57 -0.26 0.00 -0.11 0.00 0.00 41.96 38.85 1eal s TYR 53 CO 0.11 -0.14 1.71 -2.30 -1.11 0.00 0.00 175.55 173.81 1eal n PRO 54 N 4.98 0.00 -0.19 -1.71 -0.02 -1.26 -4.23 135.00 132.57 1eal n PRO 54 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 1eal n PRO 54 Cb 0.51 -0.82 -0.00 0.00 -0.02 0.00 0.00 33.50 33.16 1eal n PRO 54 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1eal n GLY 55 N 4.47 -2.94 4.71 -1.23 0.00 -1.26 -4.88 105.19 104.06 1eal n GLY 55 Ca 0.52 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.65 2.10 3.23 -0.02 0.00 -1.26 -4.72 105.19 102.87 1eal n GLY 56 Ca -0.00 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1eal n GLY 56 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1eal n HIS 57 N 0.00 4.76 -3.12 1.61 8.25 -1.26 -5.01 115.22 120.44 1eal n HIS 57 Ca 0.00 -3.98 -0.41 0.00 -0.26 0.00 0.00 57.72 53.07 1eal n HIS 57 Cb 0.00 -1.44 -0.06 0.00 1.12 0.00 0.00 29.99 29.60 1eal n HIS 57 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1eal s SER 58 N 0.57 6.53 0.08 0.41 1.04 -1.26 -2.63 113.70 118.43 1eal s SER 58 Ca 0.30 0.58 0.04 0.00 0.48 0.00 0.00 55.95 57.35 1eal s SER 58 Cb -0.08 -2.33 -0.04 0.00 0.10 0.00 0.00 66.02 63.67 1eal s SER 58 CO -0.10 -0.41 0.01 -0.63 0.98 0.00 0.00 173.24 173.10 1eal s ILE 59 N 2.54 4.11 0.12 -1.02 1.09 -0.86 -4.97 121.20 122.20 1eal s ILE 59 Ca 0.25 -0.91 0.08 0.00 -1.10 0.00 0.00 60.65 58.97 1eal s ILE 59 Cb -0.15 -2.95 -0.04 0.00 -1.06 0.00 0.00 42.46 38.26 1eal s ILE 59 CO 0.10 0.15 -0.19 -0.89 -0.10 0.00 0.00 174.94 174.01 1eal s THR 60 N -1.29 1.66 -0.42 2.92 2.01 -1.26 -2.17 115.64 117.09 1eal s THR 60 Ca 0.26 -1.65 0.06 0.00 0.31 0.00 0.00 61.69 60.67 1eal s THR 60 Cb -0.12 -1.60 0.22 0.00 0.01 0.00 0.00 72.50 71.01 1eal s THR 60 CO 0.18 -0.18 0.52 0.59 -0.69 0.00 0.00 174.62 175.03 1eal n ASN 61 N 0.82 -0.63 -4.73 3.53 4.13 -0.60 -4.97 115.26 112.81 1eal n ASN 61 Ca -0.17 -2.67 -0.42 0.00 1.68 0.00 0.00 54.58 53.00 1eal n ASN 61 Cb 0.55 -0.18 -0.03 0.00 -1.54 0.00 0.00 39.78 38.59 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 -0.43 2.67 0.19 3.41 2.01 -1.26 -3.48 115.64 118.75 1eal s THR 62 Ca 0.34 0.51 -0.12 0.00 0.31 0.00 0.00 61.69 62.72 1eal s THR 62 Cb 0.12 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.31 1eal s THR 62 CO -0.15 0.06 0.40 0.72 -0.69 0.00 0.00 174.62 174.95 1eal s PHE 63 N 0.70 0.26 0.04 4.92 -0.12 -0.87 -4.94 117.98 117.97 1eal s PHE 63 Ca 0.66 -0.61 0.02 0.00 -0.05 0.00 0.00 56.93 56.94 1eal s PHE 63 Cb -0.43 0.12 -0.03 0.00 -0.63 0.00 0.00 43.02 42.06 1eal s PHE 63 CO 0.36 -0.84 -0.07 0.99 -0.05 0.00 0.00 175.22 175.61 1eal s THR 64 N -3.96 0.47 0.22 -4.49 2.01 -1.26 -0.74 115.64 107.89 1eal s THR 64 Ca 0.17 -1.16 -0.30 0.00 0.31 0.00 0.00 61.69 60.71 1eal s THR 64 Cb 0.01 -0.69 -0.08 0.00 0.01 0.00 0.00 72.50 71.75 1eal s THR 64 CO 0.02 -0.48 1.02 -0.63 -0.69 0.00 0.00 174.62 173.86 1eal s ILE 65 N -1.71 3.94 0.00 1.82 -1.09 -1.26 -3.98 121.20 118.91 1eal s ILE 65 Ca -0.08 1.83 0.00 0.00 -2.23 0.00 0.00 60.65 60.17 1eal s ILE 65 Cb -0.08 -4.17 0.00 0.00 -1.58 0.00 0.00 42.46 36.63 1eal s ILE 65 CO -0.01 0.39 0.00 0.61 -1.23 0.00 0.00 174.94 174.70 1eal n GLY 66 N 1.64 0.26 0.10 6.18 0.00 -1.17 -4.85 105.19 107.34 1eal n GLY 66 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1eal n GLY 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1eal n LYS 67 N -1.00 0.53 0.00 1.61 4.76 -1.26 -5.04 118.16 117.76 1eal n LYS 67 Ca 0.00 0.46 0.00 0.00 -2.87 0.00 0.00 58.31 55.90 1eal n LYS 67 Cb 0.23 -1.65 0.00 0.00 -1.84 0.00 0.00 35.03 31.77 1eal n LYS 67 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1eal n GLU 68 N -4.47 0.00 -3.01 1.97 4.07 -1.26 -5.03 120.64 112.91 1eal n GLU 68 Ca -0.25 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.53 1eal n GLU 68 Cb 0.55 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.87 1eal n GLU 68 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1eal s ASP 70 N -2.25 5.97 0.12 0.00 -1.08 -1.26 0.16 116.67 118.33 1eal s ASP 70 Ca 0.57 0.15 0.10 0.00 -0.52 0.00 0.00 52.55 52.85 1eal s ASP 70 Cb -0.10 -2.04 -0.04 0.00 -1.46 0.00 0.00 42.92 39.28 1eal s ASP 70 CO 0.16 0.16 -0.25 -0.63 0.52 0.00 0.00 175.17 175.13 1eal s ILE 71 N 0.48 2.07 -0.07 4.11 1.01 -0.13 -4.94 121.20 123.73 1eal s ILE 71 Ca 0.06 -1.70 0.01 0.00 0.00 0.00 0.00 60.65 59.03 1eal s ILE 71 Cb -0.12 -1.85 0.02 0.00 0.01 0.00 0.00 42.46 40.52 1eal s ILE 71 CO -0.00 0.03 -0.08 -0.70 0.00 0.00 0.00 174.94 174.18 1eal s GLU 72 N -2.03 1.33 -1.22 2.79 2.12 -1.26 0.69 118.70 121.12 1eal s GLU 72 Ca 0.12 -0.26 -0.12 0.00 0.36 0.00 0.00 54.97 55.06 1eal s GLU 72 Cb -0.10 -1.23 0.18 0.00 0.26 0.00 0.00 34.13 33.24 1eal s GLU 72 CO 0.06 -0.07 1.53 2.41 -0.54 0.00 0.00 175.26 178.64 1eal n THR 73 N 4.13 4.32 -3.14 -1.70 -1.04 -1.26 -4.75 114.28 110.83 1eal n THR 73 Ca -0.21 -4.71 -0.07 0.00 -2.04 0.00 0.00 64.05 57.01 1eal n THR 73 Cb 0.51 -2.44 0.01 0.00 -1.82 0.00 0.00 70.33 66.59 1eal n THR 73 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1eal n ILE 74 N 4.14 -4.76 -2.51 12.58 0.00 -1.26 -4.07 119.36 123.49 1eal n ILE 74 Ca 0.37 0.71 -0.08 0.00 0.00 0.00 0.00 62.75 63.74 1eal n ILE 74 Cb 0.41 -4.08 0.04 0.00 0.00 0.00 0.00 39.64 36.00 1eal n ILE 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1eal n GLY 75 N 0.83 -0.08 0.00 4.50 0.00 -1.26 -4.95 105.19 104.23 1eal n GLY 75 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.26 3.16 3.78 -0.02 0.00 -1.26 -4.67 105.19 104.92 1eal n GLY 76 Ca -0.07 -1.35 -0.36 0.00 0.00 0.00 0.00 46.02 44.23 1eal n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1eal s LYS 77 N -1.82 3.93 0.91 1.61 1.02 -1.26 -4.79 119.74 119.34 1eal s LYS 77 Ca 0.00 1.62 -0.11 0.00 0.02 0.00 0.00 55.97 57.49 1eal s LYS 77 Cb 0.00 -2.43 0.14 0.00 -0.52 0.00 0.00 37.83 35.02 1eal s LYS 77 CO 0.00 -0.37 1.09 -1.59 -0.92 0.00 0.00 175.35 173.56 1eal s LYS 78 N -2.67 1.11 0.07 1.68 -2.85 -1.26 -4.38 119.74 111.44 1eal s LYS 78 Ca 0.62 0.91 -0.05 0.00 -1.00 0.00 0.00 55.97 56.44 1eal s LYS 78 Cb -0.24 -1.78 -0.02 0.00 -2.06 0.00 0.00 37.83 33.72 1eal s LYS 78 CO 0.30 -2.37 0.10 -0.06 0.10 0.00 0.00 175.35 173.42 1eal s PHE 79 N -2.87 0.30 0.44 1.78 0.08 0.22 -4.96 117.98 112.97 1eal s PHE 79 Ca 0.64 -0.77 -0.05 0.00 0.12 0.00 0.00 56.93 56.88 1eal s PHE 79 Cb -0.19 -0.19 -0.04 0.00 -0.57 0.00 0.00 43.02 42.03 1eal s PHE 79 CO 0.58 -0.47 0.73 0.15 -0.10 0.00 0.00 175.22 176.10 1eal s LYS 80 N -3.80 3.56 -0.42 0.44 -0.14 -1.26 -0.95 119.74 117.16 1eal s LYS 80 Ca 0.05 0.11 0.05 0.00 -1.36 0.00 0.00 55.97 54.82 1eal s LYS 80 Cb 0.06 -2.45 0.17 0.00 -1.68 0.00 0.00 37.83 33.93 1eal s LYS 80 CO -0.10 -0.10 0.47 0.00 -0.76 0.00 0.00 175.35 174.86 1eal s ALA 81 N -2.59 -0.53 -1.11 5.17 0.00 0.12 -4.53 121.76 118.29 1eal s ALA 81 Ca 0.46 -1.13 -0.24 0.00 0.00 0.00 0.00 51.96 51.05 1eal s ALA 81 Cb -0.10 -2.16 -0.12 0.00 0.00 0.00 0.00 23.12 20.75 1eal s ALA 81 CO 0.41 -2.13 2.00 0.99 0.00 0.00 0.00 175.76 177.03 1eal s THR 82 N 0.98 3.39 0.46 0.00 2.01 -1.06 -1.49 115.64 119.92 1eal s THR 82 Ca 0.24 -0.61 -0.24 0.00 0.31 0.00 0.00 61.69 61.38 1eal s THR 82 Cb -0.06 -4.30 -0.08 0.00 0.01 0.00 0.00 72.50 68.07 1eal s THR 82 CO -0.08 -0.72 1.34 -0.69 -0.69 0.00 0.00 174.62 173.78 1eal s VAL 83 N 12.51 2.39 -0.28 3.82 1.01 -1.26 -3.82 120.40 134.77 1eal s VAL 83 Ca 0.73 0.33 -0.05 0.00 0.00 0.00 0.00 61.98 62.98 1eal s VAL 83 Cb -0.03 -3.18 0.15 0.00 0.00 0.00 0.00 36.38 33.31 1eal s VAL 83 CO 0.12 0.03 0.56 -1.58 0.00 0.00 0.00 175.10 174.23 1eal s GLN 84 N -2.50 0.51 0.58 2.72 2.00 -0.60 -3.01 119.66 119.35 1eal s GLN 84 Ca 0.62 1.09 -0.16 0.00 -2.00 0.00 0.00 55.36 54.91 1eal s GLN 84 Cb -0.39 0.48 -0.04 0.00 0.80 0.00 0.00 33.01 33.86 1eal s GLN 84 CO 0.49 -0.44 1.05 -1.64 -0.50 0.00 0.00 175.29 174.26 1eal s MET 85 N 2.79 3.39 -0.41 1.67 -1.94 -1.26 -1.03 119.30 122.51 1eal s MET 85 Ca 0.08 1.18 0.08 0.00 -1.71 0.00 0.00 55.69 55.32 1eal s MET 85 Cb -0.14 -2.04 0.28 0.00 2.01 0.00 0.00 34.83 34.94 1eal s MET 85 CO -0.18 -0.75 0.69 -1.91 -0.01 0.00 0.00 175.02 172.85 1eal n GLU 86 N -1.97 0.81 -1.91 2.03 2.13 -0.16 -4.89 120.64 116.68 1eal n GLU 86 Ca 0.09 -2.84 -0.02 0.00 0.66 0.00 0.00 57.16 55.04 1eal n GLU 86 Cb 0.53 -1.35 0.01 0.00 0.27 0.00 0.00 31.44 30.90 1eal n GLU 86 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1eal n GLY 87 N 1.13 0.51 1.85 8.31 0.00 -1.26 -4.13 105.19 111.61 1eal n GLY 87 Ca 0.18 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.32 2.26 3.75 -0.02 0.00 -1.26 -5.01 105.19 103.59 1eal n GLY 88 Ca -0.02 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 1eal n GLY 88 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1eal s LYS 89 N 0.00 2.73 0.03 1.61 -2.85 -1.26 -4.89 119.74 115.11 1eal s LYS 89 Ca 0.00 1.75 -0.04 0.00 -1.00 0.00 0.00 55.97 56.67 1eal s LYS 89 Cb 0.00 -1.91 -0.05 0.00 -2.06 0.00 0.00 37.83 33.82 1eal s LYS 89 CO 0.00 -1.38 0.25 0.54 0.10 0.00 0.00 175.35 174.86 1eal s VAL 90 N -1.80 5.33 -0.30 1.79 0.11 0.13 -0.99 120.40 124.67 1eal s VAL 90 Ca 0.75 -0.01 -0.00 0.00 -2.93 0.00 0.00 61.98 59.79 1eal s VAL 90 Cb -0.29 -3.58 0.09 0.00 -1.53 0.00 0.00 36.38 31.08 1eal s VAL 90 CO 0.37 0.28 0.08 -0.69 -3.33 0.00 0.00 175.10 171.81 1eal s VAL 91 N -1.38 1.06 0.44 2.04 1.01 -0.20 -1.50 120.40 121.88 1eal s VAL 91 Ca 0.30 -1.43 -0.23 0.00 0.00 0.00 0.00 61.98 60.63 1eal s VAL 91 Cb -0.13 -1.74 -0.08 0.00 0.00 0.00 0.00 36.38 34.43 1eal s VAL 91 CO 0.20 -0.59 1.09 -0.69 0.00 0.00 0.00 175.10 175.11 1eal s VAL 92 N 1.54 3.48 -0.15 2.92 1.01 0.27 -1.55 120.40 127.92 1eal s VAL 92 Ca 0.08 1.07 -0.09 0.00 0.00 0.00 0.00 61.98 63.04 1eal s VAL 92 Cb -0.18 -3.52 0.05 0.00 0.00 0.00 0.00 36.38 32.73 1eal s VAL 92 CO -0.20 -0.05 0.36 0.21 0.00 0.00 0.00 175.10 175.41 1eal s ASN 93 N -1.57 -0.42 0.09 3.32 2.47 -1.25 -2.16 114.94 115.41 1eal s ASN 93 Ca 0.62 0.76 -0.06 0.00 0.42 0.00 0.00 52.86 54.60 1eal s ASN 93 Cb -0.23 0.67 -0.01 0.00 -1.45 0.00 0.00 41.25 40.22 1eal s ASN 93 CO 0.29 -0.17 0.13 -0.44 -3.72 0.00 0.00 177.10 173.19 1eal s SER 94 N 1.11 0.22 0.54 -4.21 0.01 -1.25 -2.57 113.70 107.55 1eal s SER 94 Ca -0.07 -0.79 0.32 0.00 1.31 0.00 0.00 55.95 56.72 1eal s SER 94 Cb -0.08 0.31 1.50 0.00 0.21 0.00 0.00 66.02 67.96 1eal s SER 94 CO -0.09 -0.71 2.06 1.55 0.41 0.00 0.00 173.24 176.46 1eal h PRO 95 N 2.85 0.00 -0.94 12.44 0.13 -2.02 -3.34 132.00 141.11 1eal h PRO 95 Ca -0.34 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.44 1eal h PRO 95 Cb 1.19 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.01 1eal h PRO 95 CO 0.58 0.08 -0.90 -1.71 -0.23 0.00 0.00 178.00 175.82 1eal n ASN 96 N -3.35 -0.07 0.00 1.44 2.85 -1.26 -4.85 115.26 110.03 1eal n ASN 96 Ca -0.01 -2.94 0.00 0.00 -0.11 0.00 0.00 54.58 51.52 1eal n ASN 96 Cb 0.26 0.18 0.00 0.00 1.24 0.00 0.00 39.78 41.47 1eal n ASN 96 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1eal n TYR 97 N 0.02 0.00 -3.08 1.20 9.36 -1.25 -4.81 117.16 118.60 1eal n TYR 97 Ca 0.11 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.98 1eal n TYR 97 Cb 0.75 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 39.40 1eal n TYR 97 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 1eal s HIS 98 N 0.00 3.59 -0.03 2.98 5.65 -0.09 -3.85 115.29 123.54 1eal s HIS 98 Ca 0.00 1.39 -0.17 0.00 0.25 0.00 0.00 55.06 56.53 1eal s HIS 98 Cb 0.00 -2.63 0.03 0.00 -1.18 0.00 0.00 32.58 28.80 1eal s HIS 98 CO 0.00 0.27 0.36 -1.58 -0.65 0.00 0.00 174.74 173.14 1eal s HIS 99 N -1.63 -0.26 0.06 3.88 5.04 -0.92 -0.85 115.29 120.61 1eal s HIS 99 Ca 0.46 0.43 -0.08 0.00 -1.54 0.00 0.00 55.06 54.33 1eal s HIS 99 Cb -0.15 0.14 -0.00 0.00 0.04 0.00 0.00 32.58 32.60 1eal s HIS 99 CO 0.20 -0.41 0.16 0.95 -2.34 0.00 0.00 174.74 173.31 1eal s THR 100 N -1.20 0.13 0.03 0.89 -4.23 -0.36 0.96 115.64 111.86 1eal s THR 100 Ca -0.12 -1.10 -0.07 0.00 -1.18 0.00 0.00 61.69 59.21 1eal s THR 100 Cb -0.04 -1.13 -0.00 0.00 1.34 0.00 0.00 72.50 72.67 1eal s THR 100 CO 0.05 -0.61 0.14 0.00 -0.54 0.00 0.00 174.62 173.66 1eal s ALA 101 N -3.20 -0.25 -0.20 3.99 0.00 -0.56 -2.25 121.76 119.30 1eal s ALA 101 Ca -0.00 -0.32 -0.12 0.00 0.00 0.00 0.00 51.96 51.52 1eal s ALA 101 Cb 0.02 0.21 0.06 0.00 0.00 0.00 0.00 23.12 23.41 1eal s ALA 101 CO -0.07 -0.29 0.49 -2.00 0.00 0.00 0.00 175.76 173.89 1eal s GLU 102 N -2.18 0.50 0.04 0.00 2.12 0.07 -0.69 118.70 118.56 1eal s GLU 102 Ca -0.08 0.89 0.05 0.00 0.36 0.00 0.00 54.97 56.19 1eal s GLU 102 Cb -0.03 0.06 -0.04 0.00 0.26 0.00 0.00 34.13 34.38 1eal s GLU 102 CO -0.02 -0.14 -0.08 0.42 -0.54 0.00 0.00 175.26 174.89 1eal s ILE 103 N 1.31 3.51 -0.18 -3.70 1.09 -1.26 -0.82 121.20 121.15 1eal s ILE 103 Ca -0.08 -0.97 -0.05 0.00 -1.10 0.00 0.00 60.65 58.45 1eal s ILE 103 Cb -0.07 -2.56 0.07 0.00 -1.06 0.00 0.00 42.46 38.84 1eal s ILE 103 CO -0.13 0.29 0.13 -0.69 -0.10 0.00 0.00 174.94 174.44 1eal s VAL 104 N -1.07 -0.16 -1.57 2.92 1.01 0.41 -4.85 120.40 117.08 1eal s VAL 104 Ca 0.19 -0.14 -0.13 0.00 0.00 0.00 0.00 61.98 61.90 1eal s VAL 104 Cb -0.11 -0.60 0.10 0.00 0.00 0.00 0.00 36.38 35.77 1eal s VAL 104 CO 0.10 -0.25 0.82 -0.90 0.00 0.00 0.00 175.10 174.86 1eal n ASP 105 N 5.29 -3.41 0.00 3.32 5.68 -1.26 -0.42 116.55 125.75 1eal n ASP 105 Ca -0.06 -0.90 0.00 0.00 -0.50 0.00 0.00 54.79 53.32 1eal n ASP 105 Cb 0.49 -3.33 0.00 0.00 -1.14 0.00 0.00 41.12 37.14 1eal n ASP 105 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1eal n GLY 106 N -1.61 2.67 3.72 6.12 0.00 -1.26 -5.00 105.19 109.84 1eal n GLY 106 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1eal n GLY 106 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1eal s LYS 107 N 0.00 4.45 -0.02 1.61 2.36 0.44 -3.55 119.74 125.03 1eal s LYS 107 Ca 0.00 0.93 -0.01 0.00 -2.55 0.00 0.00 55.97 54.35 1eal s LYS 107 Cb 0.00 -3.45 -0.04 0.00 -1.05 0.00 0.00 37.83 33.29 1eal s LYS 107 CO 0.00 0.05 0.06 -1.17 1.55 0.00 0.00 175.35 175.85 1eal s LEU 108 N 0.82 3.83 -0.11 5.43 0.20 -0.60 -0.44 118.68 127.81 1eal s LEU 108 Ca 0.39 0.14 -0.21 0.00 0.69 0.00 0.00 54.13 55.14 1eal s LEU 108 Cb -0.18 -2.18 0.05 0.00 -0.43 0.00 0.00 46.19 43.45 1eal s LEU 108 CO 0.19 0.29 0.50 0.54 -0.29 0.00 0.00 176.35 177.59 1eal s VAL 109 N -1.14 0.02 0.26 1.68 0.11 0.00 -0.93 120.40 120.40 1eal s VAL 109 Ca 0.21 -0.14 -0.11 0.00 -2.93 0.00 0.00 61.98 59.02 1eal s VAL 109 Cb -0.12 -0.77 -0.01 0.00 -1.53 0.00 0.00 36.38 33.96 1eal s VAL 109 CO 0.12 -0.07 0.46 -1.61 -3.33 0.00 0.00 175.10 170.66 1eal s GLU 110 N -0.57 1.58 -0.03 1.54 2.02 -0.65 -0.75 118.70 121.83 1eal s GLU 110 Ca -0.07 -1.34 -0.23 0.00 0.02 0.00 0.00 54.97 53.35 1eal s GLU 110 Cb -0.03 0.46 0.05 0.00 0.10 0.00 0.00 34.13 34.70 1eal s GLU 110 CO 0.04 -0.65 0.49 0.54 0.02 0.00 0.00 175.26 175.71 1eal s VAL 111 N -3.88 0.03 0.19 2.63 0.11 -0.95 -2.14 120.40 116.39 1eal s VAL 111 Ca 0.24 -0.24 0.02 0.00 -2.93 0.00 0.00 61.98 59.07 1eal s VAL 111 Cb -0.00 -0.81 -0.05 0.00 -1.53 0.00 0.00 36.38 34.00 1eal s VAL 111 CO 0.11 -0.13 0.02 -0.44 -3.33 0.00 0.00 175.10 171.32 1eal s SER 112 N -1.26 1.24 -0.07 3.54 0.01 -0.70 -1.22 113.70 115.24 1eal s SER 112 Ca -0.12 -1.22 -0.20 0.00 1.31 0.00 0.00 55.95 55.72 1eal s SER 112 Cb -0.03 0.12 0.04 0.00 0.21 0.00 0.00 66.02 66.37 1eal s SER 112 CO 0.07 -0.60 0.47 -0.89 0.41 0.00 0.00 173.24 172.71 1eal s THR 113 N -3.66 0.02 -0.39 1.44 2.01 -0.03 -0.45 115.64 114.58 1eal s THR 113 Ca 0.27 -0.20 0.11 0.00 0.31 0.00 0.00 61.69 62.18 1eal s THR 113 Cb 0.06 -0.75 0.37 0.00 0.01 0.00 0.00 72.50 72.19 1eal s THR 113 CO 0.06 -0.11 0.96 0.55 -0.69 0.00 0.00 174.62 175.39 1eal n VAL 114 N 1.62 0.11 -4.11 3.82 3.14 -1.10 -0.91 118.33 120.90 1eal n VAL 114 Ca -0.18 -3.07 -0.28 0.00 -2.96 0.00 0.00 64.34 57.84 1eal n VAL 114 Cb 0.56 0.55 -0.05 0.00 -1.06 0.00 0.00 33.84 33.85 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 0.13 -0.21 0.00 7.55 0.00 -1.26 -4.35 105.19 107.06 1eal n GLY 115 Ca 0.13 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.24 -1.26 3.10 -0.02 0.00 -1.26 -5.14 105.19 98.37 1eal n GLY 116 Ca -0.31 0.44 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 1eal n GLY 116 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1eal s VAL 117 N 0.00 0.20 0.35 1.61 -7.23 -1.26 -5.16 120.40 108.91 1eal s VAL 117 Ca 0.00 -1.64 0.07 0.00 -1.81 0.00 0.00 61.98 58.61 1eal s VAL 117 Cb 0.00 -1.38 -0.01 0.00 0.56 0.00 0.00 36.38 35.55 1eal s VAL 117 CO 0.00 -0.90 0.41 -0.55 -0.31 0.00 0.00 175.10 173.74 1eal s SER 118 N -2.77 5.57 -0.35 4.85 0.15 -1.26 -2.70 113.70 117.19 1eal s SER 118 Ca 0.05 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 56.30 1eal s SER 118 Cb 0.06 -0.99 0.14 0.00 -1.71 0.00 0.00 66.02 63.52 1eal s SER 118 CO -0.09 -0.47 0.22 -0.47 1.20 0.00 0.00 173.24 173.63 1eal s TYR 119 N -2.28 0.59 0.36 3.44 5.04 0.40 -4.82 117.35 120.08 1eal s TYR 119 Ca 0.45 -1.50 -0.27 0.00 -2.44 0.00 0.00 57.07 53.31 1eal s TYR 119 Cb -0.07 -0.85 -0.09 0.00 0.35 0.00 0.00 41.96 41.29 1eal s TYR 119 CO 0.29 -0.84 1.16 -2.00 -1.34 0.00 0.00 175.55 172.82 1eal s GLU 120 N 1.17 4.27 0.03 4.97 2.56 -1.26 -1.72 118.70 128.72 1eal s GLU 120 Ca 0.17 1.86 -0.00 0.00 0.00 0.00 0.00 54.97 57.01 1eal s GLU 120 Cb -0.22 -2.86 -0.03 0.00 2.00 0.00 0.00 34.13 33.02 1eal s GLU 120 CO -0.01 -0.14 -0.03 1.03 -0.56 0.00 0.00 175.26 175.54 1eal s ARG 121 N -2.01 0.44 -0.11 4.30 0.52 -0.91 -3.69 118.95 117.49 1eal s ARG 121 Ca 0.52 -0.84 -0.18 0.00 -0.52 0.00 0.00 55.73 54.72 1eal s ARG 121 Cb -0.32 0.10 0.04 0.00 0.52 0.00 0.00 34.95 35.30 1eal s ARG 121 CO 0.41 -0.06 0.45 0.54 0.02 0.00 0.00 175.30 176.65 1eal s VAL 122 N -2.32 0.02 0.26 3.52 0.11 -1.22 -1.64 120.40 119.13 1eal s VAL 122 Ca -0.07 -0.14 -0.17 0.00 -2.93 0.00 0.00 61.98 58.66 1eal s VAL 122 Cb -0.04 -0.69 0.01 0.00 -1.53 0.00 0.00 36.38 34.14 1eal s VAL 122 CO -0.04 -0.08 0.61 -0.55 -3.33 0.00 0.00 175.10 171.71 1eal s SER 123 N -0.42 -0.19 0.03 3.54 0.15 -0.10 -2.16 113.70 114.55 1eal s SER 123 Ca -0.06 -0.74 -0.05 0.00 0.70 0.00 0.00 55.95 55.80 1eal s SER 123 Cb -0.03 0.66 -0.01 0.00 -1.71 0.00 0.00 66.02 64.93 1eal s SER 123 CO 0.03 -1.25 0.09 -1.59 1.20 0.00 0.00 173.24 171.72 1eal s LYS 124 N -3.96 0.55 0.23 5.44 0.00 -0.77 -1.56 119.74 119.66 1eal s LYS 124 Ca 0.16 -0.68 -0.31 0.00 0.00 0.00 0.00 55.97 55.15 1eal s LYS 124 Cb -0.04 0.21 -0.10 0.00 0.00 0.00 0.00 37.83 37.91 1eal s LYS 124 CO 0.08 -0.13 1.51 0.21 0.00 0.00 0.00 175.35 177.01 1eal s LYS 125 N -2.29 4.23 0.00 1.78 2.20 -1.23 -0.08 119.74 124.35 1eal s LYS 125 Ca -0.08 2.36 -0.04 0.00 -0.36 0.00 0.00 55.97 57.86 1eal s LYS 125 Cb -0.03 -3.11 -0.01 0.00 -1.51 0.00 0.00 37.83 33.16 1eal s LYS 125 CO -0.03 -0.52 -0.08 -0.11 -0.36 0.00 0.00 175.35 174.25 1eal n LEU 126 N 2.86 0.93 0.00 5.43 7.94 -1.25 -4.81 117.00 128.10 1eal n LEU 126 Ca 0.09 0.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.13 1eal n LEU 126 Cb 0.39 -0.37 0.00 0.00 0.53 0.00 0.00 43.42 43.97 1eal n LEU 126 CO 0.61 -0.56 0.00 0.00 -1.11 0.00 0.00 177.39 176.33