#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dpf s ILE 4 N 0.00 5.05 -0.11 0.00 1.01 -1.26 -5.01 121.20 120.87 1dpf s ILE 4 Ca 0.00 0.60 0.02 0.00 0.00 0.00 0.00 60.65 61.27 1dpf s ILE 4 Cb 0.00 -3.88 -0.01 0.00 0.01 0.00 0.00 42.46 38.58 1dpf s ILE 4 CO 0.00 -0.05 -0.18 -0.60 0.00 0.00 0.00 174.94 174.12 1dpf s ARG 5 N 2.33 3.21 -0.08 2.79 3.52 -1.26 -0.26 118.95 129.19 1dpf s ARG 5 Ca 0.19 -0.77 0.03 0.00 -0.13 0.00 0.00 55.73 55.06 1dpf s ARG 5 Cb -0.16 -2.48 0.00 0.00 -1.56 0.00 0.00 34.95 30.76 1dpf s ARG 5 CO 0.11 0.22 -0.19 0.15 -0.81 0.00 0.00 175.30 174.78 1dpf s LYS 6 N 0.30 2.46 -0.16 5.12 -0.14 0.33 -4.98 119.74 122.67 1dpf s LYS 6 Ca -0.13 -0.69 -0.23 0.00 -1.36 0.00 0.00 55.97 53.55 1dpf s LYS 6 Cb -0.17 -1.92 -0.02 0.00 -1.68 0.00 0.00 37.83 34.04 1dpf s LYS 6 CO 0.07 0.13 0.73 0.21 -0.76 0.00 0.00 175.35 175.73 1dpf s LYS 7 N 0.43 4.30 -0.16 1.68 2.20 -1.26 -0.78 119.74 126.14 1dpf s LYS 7 Ca -0.16 0.85 0.01 0.00 -0.36 0.00 0.00 55.97 56.30 1dpf s LYS 7 Cb -0.17 -3.55 0.01 0.00 -1.51 0.00 0.00 37.83 32.61 1dpf s LYS 7 CO 0.06 -0.21 -0.17 -1.17 -0.36 0.00 0.00 175.35 173.50 1dpf s LEU 8 N 1.77 2.32 -0.11 5.43 0.20 0.37 -0.58 118.68 128.07 1dpf s LEU 8 Ca 0.35 -0.55 0.00 0.00 0.69 0.00 0.00 54.13 54.62 1dpf s LEU 8 Cb -0.17 -1.52 -0.02 0.00 -0.43 0.00 0.00 46.19 44.05 1dpf s LEU 8 CO 0.13 0.05 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.42 1dpf s VAL 9 N 1.00 3.07 -0.16 1.68 1.01 -1.01 -0.41 120.40 125.59 1dpf s VAL 9 Ca -0.02 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 1dpf s VAL 9 Cb -0.15 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 1dpf s VAL 9 CO -0.04 0.54 -0.05 -0.51 0.00 0.00 0.00 175.10 175.03 1dpf s ILE 10 N 0.14 3.70 0.27 2.22 2.07 -0.33 -1.46 121.20 127.81 1dpf s ILE 10 Ca -0.07 -0.42 0.04 0.00 -1.41 0.00 0.00 60.65 58.79 1dpf s ILE 10 Cb -0.15 -2.62 -0.06 0.00 0.13 0.00 0.00 42.46 39.77 1dpf s ILE 10 CO 0.05 0.49 0.01 0.68 -1.91 0.00 0.00 174.94 174.25 1dpf s VAL 11 N 0.46 1.20 0.00 4.00 -7.23 -0.46 -2.91 120.40 115.46 1dpf s VAL 11 Ca -0.05 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.08 1dpf s VAL 11 Cb -0.15 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.29 1dpf s VAL 11 CO 0.03 -0.22 0.00 0.61 -0.31 0.00 0.00 175.10 175.22 1dpf n GLY 12 N -0.53 3.06 3.67 2.32 0.00 -1.26 -0.46 105.19 112.00 1dpf n GLY 12 Ca -0.04 -1.40 -0.31 0.00 0.00 0.00 0.00 46.02 44.27 1dpf n GLY 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dpf s ASP 13 N 0.00 2.93 0.33 1.61 -0.00 -1.26 -4.92 116.67 115.36 1dpf s ASP 13 Ca 0.00 2.21 -0.29 0.00 -0.00 0.00 0.00 52.55 54.47 1dpf s ASP 13 Cb 0.00 -2.57 -0.12 0.00 -0.00 0.00 0.00 42.92 40.23 1dpf s ASP 13 CO 0.00 -3.10 1.43 0.52 -0.00 0.00 0.00 175.17 174.02 1dpf n VAL 14 N -4.19 1.68 -1.33 -1.27 0.31 -1.26 -2.43 118.33 109.84 1dpf n VAL 14 Ca 0.12 -0.42 -0.12 0.00 -0.01 0.00 0.00 64.34 63.91 1dpf n VAL 14 Cb 0.52 -1.77 -0.05 0.00 -0.91 0.00 0.00 33.84 31.63 1dpf n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dpf n ALA 15 N 0.91 -0.18 1.57 3.52 0.00 -1.26 -4.88 120.51 120.19 1dpf n ALA 15 Ca 0.05 0.19 0.10 0.00 0.00 0.00 0.00 53.44 53.78 1dpf n ALA 15 Cb 0.37 -1.52 0.46 0.00 0.00 0.00 0.00 19.45 18.75 1dpf n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dpf n GLY 17 N 0.98 0.96 0.17 0.00 0.00 -1.26 -4.32 105.19 101.73 1dpf n GLY 17 Ca 0.15 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 46.00 1dpf n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dpf h LYS 18 N 2.16 -0.32 -0.31 1.61 1.57 -1.90 -2.18 116.57 117.20 1dpf h LYS 18 Ca 0.00 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1dpf h LYS 18 Cb 0.00 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1dpf h LYS 18 CO 0.00 -0.22 0.08 1.15 -0.57 0.00 0.00 179.45 179.89 1dpf h THR 19 N -0.34 1.22 -0.07 -0.16 2.02 -1.98 -2.63 112.91 110.97 1dpf h THR 19 Ca -0.02 -0.73 -0.03 0.00 0.77 0.00 0.00 66.41 66.40 1dpf h THR 19 Cb 0.27 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1dpf h THR 19 CO 0.03 0.24 -0.09 0.00 0.37 0.00 0.00 175.52 176.07 1dpf h LEU 21 N 0.10 0.89 -0.45 0.00 5.85 -1.16 -0.91 115.31 119.62 1dpf h LEU 21 Ca 0.02 -0.40 -0.15 0.00 0.84 0.00 0.00 57.88 58.20 1dpf h LEU 21 Cb 0.23 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1dpf h LEU 21 CO 0.01 1.08 -0.33 -0.07 -0.34 0.00 0.00 178.44 178.80 1dpf h LEU 22 N 0.69 0.99 -0.14 2.25 3.38 -1.05 -2.53 115.31 118.89 1dpf h LEU 22 Ca 0.10 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 1dpf h LEU 22 Cb 0.74 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1dpf h LEU 22 CO 0.06 1.22 0.07 0.40 0.09 0.00 0.00 178.44 180.28 1dpf h ILE 23 N 0.78 1.10 -0.74 1.22 2.04 -0.87 0.05 117.51 121.10 1dpf h ILE 23 Ca 0.08 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.61 1dpf h ILE 23 Cb 0.91 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 1dpf h ILE 23 CO 0.08 0.09 0.28 0.58 0.00 0.00 0.00 178.15 179.19 1dpf h VAL 24 N 0.12 1.25 -0.08 1.67 2.07 -1.17 -0.90 116.25 119.21 1dpf h VAL 24 Ca 0.05 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 1dpf h VAL 24 Cb 0.08 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1dpf h VAL 24 CO -0.01 0.33 -0.01 0.15 0.02 0.00 0.00 177.57 178.05 1dpf h PHE 25 N 1.07 0.16 -0.35 1.57 3.57 -1.28 -2.67 116.94 119.01 1dpf h PHE 25 Ca 0.25 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 1dpf h PHE 25 Cb 0.23 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 1dpf h PHE 25 CO 0.02 0.44 0.17 0.77 -2.23 0.00 0.00 178.31 177.49 1dpf h SER 26 N -0.17 0.43 1.38 0.41 0.02 -0.82 -1.81 113.55 112.99 1dpf h SER 26 Ca 0.02 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1dpf h SER 26 Cb 0.39 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 1dpf h SER 26 CO 0.01 0.37 -0.10 0.11 -1.14 0.00 0.00 176.83 176.07 1dpf h LYS 27 N 0.49 0.00 0.00 3.45 1.57 -1.10 -3.08 116.57 117.90 1dpf h LYS 27 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1dpf h LYS 27 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1dpf h LYS 27 CO -0.02 0.10 0.00 -3.47 -0.57 0.00 0.00 179.45 175.50 1dpf n ASP 28 N -3.17 0.00 -4.76 0.86 2.03 -0.68 -4.87 116.55 105.95 1dpf n ASP 28 Ca 0.02 0.38 -0.36 0.00 0.52 0.00 0.00 54.79 55.34 1dpf n ASP 28 Cb 0.45 -0.46 0.02 0.00 -0.72 0.00 0.00 41.12 40.41 1dpf n ASP 28 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1dpf s GLN 29 N -2.91 3.28 -0.03 -0.67 -0.21 -1.17 -5.04 119.66 112.91 1dpf s GLN 29 Ca 0.16 1.82 0.01 0.00 0.02 0.00 0.00 55.36 57.37 1dpf s GLN 29 Cb 0.18 -2.11 0.01 0.00 1.00 0.00 0.00 33.01 32.09 1dpf s GLN 29 CO 0.48 -0.96 -0.04 0.12 -2.12 0.00 0.00 175.29 172.77 1dpf s PHE 30 N -1.58 0.57 0.69 0.91 2.19 -1.26 -3.53 117.98 115.96 1dpf s PHE 30 Ca 0.72 -0.12 -0.16 0.00 0.33 0.00 0.00 56.93 57.70 1dpf s PHE 30 Cb -0.30 -0.48 0.01 0.00 -1.31 0.00 0.00 43.02 40.94 1dpf s PHE 30 CO 0.34 -0.11 1.22 -1.25 1.83 0.00 0.00 175.22 177.25 1dpf s PRO 31 N 0.54 2.40 0.18 10.12 0.04 -1.26 -5.09 135.00 141.93 1dpf s PRO 31 Ca -0.06 1.80 -0.32 0.00 0.04 0.00 0.00 61.00 62.46 1dpf s PRO 31 Cb -0.10 -1.86 -0.11 0.00 0.04 0.00 0.00 34.50 32.47 1dpf s PRO 31 CO -0.00 -1.65 1.74 0.00 0.04 0.00 0.00 177.00 177.13 1dpf s ALA 32 N -1.83 3.88 0.23 8.56 0.00 -1.23 -5.01 121.76 126.36 1dpf s ALA 32 Ca 0.76 1.53 0.09 0.00 0.00 0.00 0.00 51.96 54.33 1dpf s ALA 32 Cb -0.30 -3.71 -0.05 0.00 0.00 0.00 0.00 23.12 19.06 1dpf s ALA 32 CO 0.42 -0.99 -0.15 0.14 0.00 0.00 0.00 175.76 175.18 1dpf s VAL 33 N 1.61 1.89 -0.01 0.00 -7.23 -1.26 -5.11 120.40 110.29 1dpf s VAL 33 Ca 0.76 -2.24 -0.30 0.00 -1.81 0.00 0.00 61.98 58.38 1dpf s VAL 33 Cb -0.48 -2.15 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 1dpf s VAL 33 CO 0.33 -0.52 1.15 -0.47 -0.31 0.00 0.00 175.10 175.28 1dpf s TYR 34 N -2.88 3.38 -0.28 2.82 5.04 -1.26 -4.91 117.35 119.27 1dpf s TYR 34 Ca 0.25 1.36 -0.10 0.00 -2.44 0.00 0.00 57.07 56.13 1dpf s TYR 34 Cb -0.01 -3.35 -0.04 0.00 0.35 0.00 0.00 41.96 38.90 1dpf s TYR 34 CO 0.09 -1.00 0.17 0.08 -1.34 0.00 0.00 175.55 173.55 1dpf s VAL 35 N 1.58 5.13 1.15 3.14 1.01 -1.26 -5.09 120.40 126.06 1dpf s VAL 35 Ca 0.56 0.09 -0.19 0.00 0.00 0.00 0.00 61.98 62.43 1dpf s VAL 35 Cb -0.25 -3.45 0.28 0.00 0.00 0.00 0.00 36.38 32.96 1dpf s VAL 35 CO 0.25 0.25 1.12 -0.81 0.00 0.00 0.00 175.10 175.92 1dpf n PRO 36 N 5.04 -2.73 0.01 2.72 -0.04 -1.26 -5.00 135.00 133.74 1dpf n PRO 36 Ca -0.14 -1.78 0.11 0.00 -0.04 0.00 0.00 63.50 61.65 1dpf n PRO 36 Cb 0.52 -1.55 0.01 0.00 -0.04 0.00 0.00 33.50 32.43 1dpf n PRO 36 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1dpf n THR 37 N -4.61 0.09 -4.73 0.52 -2.24 -1.26 -4.92 114.28 97.13 1dpf n THR 37 Ca 0.15 -0.16 -0.28 0.00 -2.27 0.00 0.00 64.05 61.49 1dpf n THR 37 Cb 0.57 0.41 -0.14 0.00 -2.10 0.00 0.00 70.33 69.07 1dpf n THR 37 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1dpf s VAL 38 N -3.14 1.96 -0.32 2.28 -7.23 -1.26 -5.09 120.40 107.60 1dpf s VAL 38 Ca 0.05 -1.37 -0.00 0.00 -1.81 0.00 0.00 61.98 58.85 1dpf s VAL 38 Cb 0.15 -1.70 0.10 0.00 0.56 0.00 0.00 36.38 35.50 1dpf s VAL 38 CO 0.81 0.26 0.11 -0.36 -0.31 0.00 0.00 175.10 175.61 1dpf s PHE 39 N -0.85 1.94 -0.24 2.82 0.40 -1.26 -4.98 117.98 115.81 1dpf s PHE 39 Ca 0.10 -1.93 -0.02 0.00 -0.60 0.00 0.00 56.93 54.48 1dpf s PHE 39 Cb -0.10 -1.85 0.08 0.00 0.51 0.00 0.00 43.02 41.66 1dpf s PHE 39 CO 0.02 -0.88 0.07 -1.21 0.70 0.00 0.00 175.22 173.92 1dpf s GLU 40 N 1.43 0.61 -1.52 0.44 0.41 -1.19 -0.10 118.70 118.77 1dpf s GLU 40 Ca 0.11 -0.62 -0.05 0.00 -0.41 0.00 0.00 54.97 54.00 1dpf s GLU 40 Cb -0.18 -1.95 0.01 0.00 -1.78 0.00 0.00 34.13 30.22 1dpf s GLU 40 CO -0.21 -0.79 0.68 -1.71 -0.49 0.00 0.00 175.26 172.74 1dpf n ASN 41 N 5.02 -6.15 -4.63 -0.19 4.05 -0.02 -4.93 115.26 108.41 1dpf n ASN 41 Ca -0.07 -0.32 -0.43 0.00 0.45 0.00 0.00 54.58 54.22 1dpf n ASN 41 Cb 0.45 -4.93 -0.02 0.00 1.23 0.00 0.00 39.78 36.51 1dpf n ASN 41 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 1dpf s TYR 42 N -3.20 2.97 -0.19 1.20 5.04 -0.81 -4.72 117.35 117.64 1dpf s TYR 42 Ca 0.34 1.02 -0.29 0.00 -2.44 0.00 0.00 57.07 55.70 1dpf s TYR 42 Cb -0.15 -3.89 0.00 0.00 0.35 0.00 0.00 41.96 38.27 1dpf s TYR 42 CO 0.42 -1.10 1.08 0.14 -1.34 0.00 0.00 175.55 174.75 1dpf s VAL 43 N 4.00 4.60 -0.08 3.14 -7.23 -1.26 -0.66 120.40 122.90 1dpf s VAL 43 Ca 0.49 1.92 0.03 0.00 -1.81 0.00 0.00 61.98 62.62 1dpf s VAL 43 Cb -0.12 -4.24 -0.01 0.00 0.56 0.00 0.00 36.38 32.56 1dpf s VAL 43 CO 0.20 -0.14 -0.19 0.00 -0.31 0.00 0.00 175.10 174.66 1dpf s ALA 44 N 3.03 2.39 -0.32 1.32 0.00 -0.52 -4.95 121.76 122.72 1dpf s ALA 44 Ca 0.47 -0.98 -0.12 0.00 0.00 0.00 0.00 51.96 51.34 1dpf s ALA 44 Cb -0.17 -0.91 -0.02 0.00 0.00 0.00 0.00 23.12 22.01 1dpf s ALA 44 CO 0.10 0.37 0.21 -0.51 0.00 0.00 0.00 175.76 175.93 1dpf s ASP 45 N -0.03 5.94 0.17 0.00 1.11 -1.26 -0.35 116.67 122.25 1dpf s ASP 45 Ca -0.06 -0.34 0.09 0.00 0.18 0.00 0.00 52.55 52.43 1dpf s ASP 45 Cb -0.15 -2.11 -0.04 0.00 1.07 0.00 0.00 42.92 41.70 1dpf s ASP 45 CO 0.05 -0.18 -0.20 -0.51 1.18 0.00 0.00 175.17 175.50 1dpf s ILE 46 N 1.71 2.00 -0.14 0.77 2.07 -0.18 -4.87 121.20 122.56 1dpf s ILE 46 Ca 0.06 -1.93 0.01 0.00 -1.41 0.00 0.00 60.65 57.37 1dpf s ILE 46 Cb -0.17 -1.92 0.02 0.00 0.13 0.00 0.00 42.46 40.52 1dpf s ILE 46 CO 0.10 -0.23 -0.14 -0.70 -1.91 0.00 0.00 174.94 172.06 1dpf s GLU 47 N -2.69 2.27 -0.05 3.50 2.12 -1.26 -0.45 118.70 122.14 1dpf s GLU 47 Ca 0.17 -0.55 0.02 0.00 0.36 0.00 0.00 54.97 54.97 1dpf s GLU 47 Cb -0.07 -2.06 0.01 0.00 0.26 0.00 0.00 34.13 32.28 1dpf s GLU 47 CO 0.08 -0.21 -0.10 0.14 -0.54 0.00 0.00 175.26 174.62 1dpf s VAL 48 N 1.41 0.97 -1.53 3.70 -7.23 -0.81 -4.81 120.40 112.11 1dpf s VAL 48 Ca 0.03 -0.41 -0.10 0.00 -1.81 0.00 0.00 61.98 59.69 1dpf s VAL 48 Cb -0.13 -0.89 0.08 0.00 0.56 0.00 0.00 36.38 35.99 1dpf s VAL 48 CO -0.09 0.31 0.75 0.47 -0.31 0.00 0.00 175.10 176.23 1dpf n ASP 49 N 3.70 -2.80 0.00 4.85 10.43 -1.26 -1.03 116.55 130.44 1dpf n ASP 49 Ca -0.22 -0.91 0.00 0.00 2.57 0.00 0.00 54.79 56.23 1dpf n ASP 49 Cb 0.52 -3.35 0.00 0.00 1.84 0.00 0.00 41.12 40.13 1dpf n ASP 49 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1dpf n GLY 50 N -1.66 0.52 3.51 0.44 0.00 -1.26 -5.01 105.19 101.73 1dpf n GLY 50 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 1dpf n GLY 50 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1dpf s LYS 51 N -0.47 3.36 -0.19 1.61 2.20 -0.19 -5.08 119.74 120.98 1dpf s LYS 51 Ca 0.00 -0.55 -0.28 0.00 -0.36 0.00 0.00 55.97 54.78 1dpf s LYS 51 Cb 0.00 -2.78 -0.00 0.00 -1.51 0.00 0.00 37.83 33.54 1dpf s LYS 51 CO 0.00 0.37 0.99 -0.65 -0.36 0.00 0.00 175.35 175.70 1dpf s GLN 52 N 0.00 4.31 -0.04 4.03 -1.52 -1.26 -1.92 119.66 123.26 1dpf s GLN 52 Ca -0.00 1.30 0.03 0.00 -1.95 0.00 0.00 55.36 54.74 1dpf s GLN 52 Cb -0.13 -3.60 0.00 0.00 -0.22 0.00 0.00 33.01 29.05 1dpf s GLN 52 CO 0.03 -0.49 -0.12 0.08 -0.25 0.00 0.00 175.29 174.53 1dpf s VAL 53 N 2.70 1.05 -0.31 1.09 1.01 0.41 -4.43 120.40 121.92 1dpf s VAL 53 Ca 0.44 -0.50 -0.14 0.00 0.00 0.00 0.00 61.98 61.77 1dpf s VAL 53 Cb -0.16 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 1dpf s VAL 53 CO 0.10 0.32 0.33 -1.61 0.00 0.00 0.00 175.10 174.25 1dpf s GLU 54 N 0.18 3.76 -0.40 2.72 2.02 0.64 -1.01 118.70 126.59 1dpf s GLU 54 Ca -0.04 -0.27 -0.10 0.00 0.02 0.00 0.00 54.97 54.57 1dpf s GLU 54 Cb -0.10 -3.74 0.05 0.00 0.10 0.00 0.00 34.13 30.44 1dpf s GLU 54 CO 0.01 -0.40 0.24 -1.17 0.02 0.00 0.00 175.26 173.97 1dpf s LEU 55 N 1.98 4.97 -0.56 1.80 2.96 0.53 -0.52 118.68 129.85 1dpf s LEU 55 Ca 0.12 -1.26 -0.26 0.00 -0.22 0.00 0.00 54.13 52.51 1dpf s LEU 55 Cb -0.16 -2.01 0.04 0.00 0.50 0.00 0.00 46.19 44.55 1dpf s LEU 55 CO 0.11 -0.47 1.03 0.00 -1.32 0.00 0.00 176.35 175.70 1dpf s ALA 56 N 1.50 3.10 -0.06 5.97 0.00 0.04 -1.44 121.76 130.87 1dpf s ALA 56 Ca 0.02 -1.07 -0.25 0.00 0.00 0.00 0.00 51.96 50.66 1dpf s ALA 56 Cb -0.21 -3.84 -0.03 0.00 0.00 0.00 0.00 23.12 19.03 1dpf s ALA 56 CO 0.04 -2.47 0.76 -0.51 0.00 0.00 0.00 175.76 173.58 1dpf s LEU 57 N 4.31 4.31 -0.16 0.00 1.43 0.16 -0.48 118.68 128.26 1dpf s LEU 57 Ca 0.35 1.27 0.00 0.00 -1.03 0.00 0.00 54.13 54.72 1dpf s LEU 57 Cb -0.11 -3.18 0.03 0.00 0.03 0.00 0.00 46.19 42.96 1dpf s LEU 57 CO 0.22 -0.16 -0.12 0.26 0.23 0.00 0.00 176.35 176.77 1dpf s TRP 58 N 0.94 2.15 -0.21 0.29 0.52 0.45 -0.84 118.94 122.24 1dpf s TRP 58 Ca 0.40 -1.27 -0.07 0.00 0.02 0.00 0.00 56.10 55.18 1dpf s TRP 58 Cb -0.18 -1.56 -0.04 0.00 -1.15 0.00 0.00 33.47 30.54 1dpf s TRP 58 CO 0.19 -0.67 0.07 0.34 0.02 0.00 0.00 176.95 176.90 1dpf s ASP 59 N 1.49 5.41 0.00 2.95 2.15 0.85 -1.18 116.67 128.34 1dpf s ASP 59 Ca 0.03 -0.05 0.18 0.00 0.43 0.00 0.00 52.55 53.14 1dpf s ASP 59 Cb -0.14 -1.95 0.52 0.00 -0.30 0.00 0.00 42.92 41.06 1dpf s ASP 59 CO -0.10 0.08 1.42 0.35 -0.17 0.00 0.00 175.17 176.75 1dpf n THR 60 N 4.16 0.48 -1.75 1.71 -2.24 -1.15 -4.87 114.28 110.63 1dpf n THR 60 Ca -0.16 -0.57 -0.42 0.00 -2.27 0.00 0.00 64.05 60.63 1dpf n THR 60 Cb 0.52 0.45 -0.02 0.00 -2.10 0.00 0.00 70.33 69.17 1dpf n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dpf s ALA 61 N -1.52 3.84 0.00 6.98 0.00 -1.26 -0.74 121.76 129.07 1dpf s ALA 61 Ca 0.33 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.88 1dpf s ALA 61 Cb 0.18 -3.67 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1dpf s ALA 61 CO 0.25 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.46 1dpf n GLY 62 N 3.04 1.06 0.12 0.00 0.00 -1.26 -4.84 105.19 103.30 1dpf n GLY 62 Ca 0.12 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.15 1dpf n GLY 62 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1dpf n GLN 63 N -2.00 2.58 0.25 1.61 6.02 0.08 -4.75 117.38 121.17 1dpf n GLN 63 Ca 0.00 -1.50 0.17 0.00 -0.01 0.00 0.00 57.00 55.66 1dpf n GLN 63 Cb 0.00 -1.05 0.88 0.00 1.02 0.00 0.00 30.24 31.09 1dpf n GLN 63 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1dpf h GLU 64 N 0.39 0.00 -0.15 -1.09 3.07 -1.88 -1.89 114.58 113.02 1dpf h GLU 64 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1dpf h GLU 64 Cb 0.49 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.40 1dpf h GLU 64 CO 0.00 0.00 0.00 -0.25 -1.40 0.00 0.00 179.01 177.36 1dpf n ASP 65 N -3.73 2.56 -4.05 1.42 8.00 -1.26 -4.72 116.55 114.77 1dpf n ASP 65 Ca -0.00 -1.74 -0.43 0.00 0.71 0.00 0.00 54.79 53.33 1dpf n ASP 65 Cb 0.23 -0.09 0.01 0.00 -0.02 0.00 0.00 41.12 41.25 1dpf n ASP 65 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1dpf n TYR 66 N 0.86 2.69 -0.14 1.24 0.53 -0.71 -4.88 117.16 116.75 1dpf n TYR 66 Ca 0.11 -2.76 0.25 0.00 -1.02 0.00 0.00 57.90 54.48 1dpf n TYR 66 Cb 0.41 -1.35 0.69 0.00 -1.03 0.00 0.00 39.34 38.07 1dpf n TYR 66 CO 0.00 0.00 0.00 -0.44 -1.02 0.00 0.00 176.86 175.40 1dpf h ASP 67 N 5.61 0.04 0.37 7.72 3.32 -1.84 0.10 116.42 131.74 1dpf h ASP 67 Ca 0.20 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 57.01 1dpf h ASP 67 Cb 0.65 -0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.15 1dpf h ASP 67 CO 1.31 0.02 -1.85 0.54 -1.72 0.00 0.00 179.24 177.54 1dpf n ARG 68 N -4.32 0.65 0.08 3.56 1.74 -1.26 -4.38 116.66 112.73 1dpf n ARG 68 Ca 0.16 0.14 -0.23 0.00 -0.77 0.00 0.00 57.85 57.16 1dpf n ARG 68 Cb 0.85 -1.69 -0.15 0.00 -1.02 0.00 0.00 32.46 30.44 1dpf n ARG 68 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1dpf h ALA 69 N 1.21 0.02 -0.60 7.54 0.00 -1.79 -3.39 119.26 122.26 1dpf h ALA 69 Ca -0.30 -0.97 0.10 0.00 0.00 0.00 0.00 54.91 53.73 1dpf h ALA 69 Cb 1.87 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 19.90 1dpf h ALA 69 CO 0.05 0.78 0.18 -0.09 0.00 0.00 0.00 179.25 180.17 1dpf h ARG 70 N -0.03 0.33 0.00 0.00 2.43 -1.03 -2.51 114.38 113.55 1dpf h ARG 70 Ca -0.28 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 1dpf h ARG 70 Cb 1.99 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.47 1dpf h ARG 70 CO 0.18 0.22 0.03 -1.35 -1.51 0.00 0.00 179.97 177.53 1dpf h PRO 71 N 0.34 0.00 0.00 0.20 0.11 -1.76 -2.36 132.00 128.52 1dpf h PRO 71 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 1dpf h PRO 71 Cb 0.41 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.52 1dpf h PRO 71 CO -0.34 0.00 0.00 -0.07 -0.21 0.00 0.00 178.00 177.38 1dpf h LEU 72 N 0.00 0.00 -0.03 2.35 4.07 -1.68 -2.11 115.31 117.91 1dpf h LEU 72 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1dpf h LEU 72 Cb 0.05 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.79 1dpf h LEU 72 CO 0.00 0.00 -0.41 -1.20 -1.08 0.00 0.00 178.44 175.75 1dpf n SER 73 N -2.43 0.46 0.09 -0.43 7.64 -0.89 -4.39 113.62 113.67 1dpf n SER 73 Ca 0.00 -0.19 -0.06 0.00 1.01 0.00 0.00 58.87 59.63 1dpf n SER 73 Cb 0.17 0.13 0.05 0.00 -1.01 0.00 0.00 64.21 63.54 1dpf n SER 73 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1dpf h TYR 74 N 0.08 0.22 -1.70 1.43 0.05 -1.57 -3.46 116.97 112.02 1dpf h TYR 74 Ca 0.00 -0.11 -0.68 0.00 0.05 0.00 0.00 58.73 57.99 1dpf h TYR 74 Cb 0.50 -0.03 0.05 0.00 1.01 0.00 0.00 36.73 38.26 1dpf h TYR 74 CO 0.00 0.87 0.47 -2.30 -1.05 0.00 0.00 178.16 176.15 1dpf n PRO 75 N -3.71 1.18 -2.69 4.88 -0.02 -1.26 -2.48 135.00 130.90 1dpf n PRO 75 Ca -0.03 0.42 -0.19 0.00 -2.02 0.00 0.00 63.50 61.69 1dpf n PRO 75 Cb 0.74 -2.07 0.02 0.00 -0.02 0.00 0.00 33.50 32.16 1dpf n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1dpf n ASP 76 N 2.59 -5.40 -4.74 2.55 8.00 -1.26 -4.99 116.55 113.30 1dpf n ASP 76 Ca 0.18 -0.16 -0.41 0.00 0.71 0.00 0.00 54.79 55.12 1dpf n ASP 76 Cb 0.19 -4.32 -0.05 0.00 -0.02 0.00 0.00 41.12 36.92 1dpf n ASP 76 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1dpf s THR 77 N -3.01 4.06 -0.13 -3.53 2.01 -1.03 -4.61 115.64 109.40 1dpf s THR 77 Ca 0.16 1.90 0.19 0.00 0.31 0.00 0.00 61.69 64.25 1dpf s THR 77 Cb -0.07 -4.21 -0.25 0.00 0.01 0.00 0.00 72.50 67.98 1dpf s THR 77 CO 0.20 0.38 0.38 0.47 -0.69 0.00 0.00 174.62 175.36 1dpf n ASP 78 N 2.01 0.20 -3.62 3.53 8.00 0.25 -4.92 116.55 122.00 1dpf n ASP 78 Ca 0.00 0.09 -0.15 0.00 0.71 0.00 0.00 54.79 55.44 1dpf n ASP 78 Cb 0.47 1.14 -0.07 0.00 -0.02 0.00 0.00 41.12 42.64 1dpf n ASP 78 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1dpf s VAL 79 N -2.94 0.00 -0.11 2.53 0.11 -0.97 -4.26 120.40 114.76 1dpf s VAL 79 Ca -0.08 -0.03 0.01 0.00 -2.93 0.00 0.00 61.98 58.95 1dpf s VAL 79 Cb 0.09 -0.91 -0.02 0.00 -1.53 0.00 0.00 36.38 34.01 1dpf s VAL 79 CO 0.85 -0.02 -0.14 -0.63 -3.33 0.00 0.00 175.10 171.84 1dpf s ILE 80 N -0.27 3.04 -0.53 7.04 -1.09 -0.29 -2.40 121.20 126.70 1dpf s ILE 80 Ca -0.05 -0.68 -0.11 0.00 -2.23 0.00 0.00 60.65 57.58 1dpf s ILE 80 Cb -0.03 -2.25 0.13 0.00 -1.58 0.00 0.00 42.46 38.73 1dpf s ILE 80 CO 0.04 0.54 0.43 -0.76 -1.23 0.00 0.00 174.94 173.96 1dpf s LEU 81 N 0.07 5.92 -0.34 2.97 1.43 -0.54 -0.05 118.68 128.14 1dpf s LEU 81 Ca -0.05 -1.97 -0.18 0.00 -1.03 0.00 0.00 54.13 50.90 1dpf s LEU 81 Cb -0.15 -2.08 -0.01 0.00 0.03 0.00 0.00 46.19 43.98 1dpf s LEU 81 CO 0.04 -0.73 0.49 -0.32 0.23 0.00 0.00 176.35 176.07 1dpf s MET 82 N 1.29 3.64 0.29 1.70 1.75 -0.39 -1.36 119.30 126.23 1dpf s MET 82 Ca 0.06 -0.17 0.08 0.00 -1.25 0.00 0.00 55.69 54.41 1dpf s MET 82 Cb -0.26 -3.80 -0.04 0.00 2.84 0.00 0.00 34.83 33.57 1dpf s MET 82 CO -0.00 -0.61 0.14 0.00 -0.65 0.00 0.00 175.02 173.89 1dpf s PHE 84 N -2.29 -0.15 -0.13 0.00 -0.71 -0.84 -4.30 117.98 109.56 1dpf s PHE 84 Ca 0.35 -0.17 -0.05 0.00 -1.04 0.00 0.00 56.93 56.02 1dpf s PHE 84 Cb -0.06 0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 42.01 1dpf s PHE 84 CO 0.23 -0.78 0.06 0.45 -1.34 0.00 0.00 175.22 173.84 1dpf s SER 85 N -2.83 5.65 0.53 1.98 0.15 -1.26 -1.11 113.70 116.80 1dpf s SER 85 Ca 0.06 0.20 0.28 0.00 0.70 0.00 0.00 55.95 57.19 1dpf s SER 85 Cb 0.01 -1.79 1.49 0.00 -1.71 0.00 0.00 66.02 64.02 1dpf s SER 85 CO -0.08 0.32 2.08 0.40 1.20 0.00 0.00 173.24 177.16 1dpf h ILE 86 N 4.35 0.53 -0.33 6.45 2.04 -1.30 -1.39 117.51 127.86 1dpf h ILE 86 Ca -0.47 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 64.90 1dpf h ILE 86 Cb 1.19 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 1dpf h ILE 86 CO 0.60 0.10 0.00 -0.90 0.00 0.00 0.00 178.15 177.96 1dpf n ASP 87 N -3.62 1.80 -3.44 1.72 5.75 -1.26 -0.67 116.55 116.83 1dpf n ASP 87 Ca -0.02 -1.99 -0.26 0.00 -0.01 0.00 0.00 54.79 52.51 1dpf n ASP 87 Cb 0.23 -0.22 -0.11 0.00 -1.03 0.00 0.00 41.12 39.98 1dpf n ASP 87 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1dpf s SER 88 N -1.02 2.58 0.47 -1.12 0.15 -0.52 -4.89 113.70 109.35 1dpf s SER 88 Ca 0.23 -1.91 0.32 0.00 0.70 0.00 0.00 55.95 55.30 1dpf s SER 88 Cb 0.12 -0.14 1.62 0.00 -1.71 0.00 0.00 66.02 65.91 1dpf s SER 88 CO 0.16 -0.31 1.98 1.55 1.20 0.00 0.00 173.24 177.81 1dpf h PRO 89 N 7.22 0.00 -0.39 5.44 0.13 -1.82 -1.30 132.00 141.27 1dpf h PRO 89 Ca 0.02 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.00 1dpf h PRO 89 Cb 1.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 1dpf h PRO 89 CO 0.27 0.00 -0.36 -0.44 -0.23 0.00 0.00 178.00 177.23 1dpf h ASP 90 N 0.00 0.99 0.13 1.44 3.45 -1.93 -1.80 116.42 118.70 1dpf h ASP 90 Ca 0.00 -0.44 -0.08 0.00 0.43 0.00 0.00 57.03 56.94 1dpf h ASP 90 Cb 0.14 -0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 38.62 1dpf h ASP 90 CO 0.00 1.24 -0.26 0.77 -1.57 0.00 0.00 179.24 179.42 1dpf h SER 91 N 0.77 0.22 -0.33 6.45 4.64 -1.55 -2.61 113.55 121.13 1dpf h SER 91 Ca 0.07 -0.07 -0.16 0.00 -0.47 0.00 0.00 61.79 61.17 1dpf h SER 91 Cb 0.95 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1dpf h SER 91 CO 0.09 0.49 -0.40 0.25 -0.87 0.00 0.00 176.83 176.39 1dpf h LEU 92 N 0.20 0.93 -1.96 5.97 5.85 -1.37 -3.00 115.31 121.93 1dpf h LEU 92 Ca 0.03 -0.49 -0.02 0.00 0.84 0.00 0.00 57.88 58.24 1dpf h LEU 92 Cb 0.58 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 1dpf h LEU 92 CO 0.04 1.23 -0.11 -0.08 -0.34 0.00 0.00 178.44 179.18 1dpf h GLU 93 N 0.65 0.00 0.00 1.25 4.57 -0.97 -1.09 114.58 118.99 1dpf h GLU 93 Ca 0.04 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1dpf h GLU 93 Cb 1.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.59 1dpf h GLU 93 CO 0.10 0.11 0.00 0.09 -1.18 0.00 0.00 179.01 178.13 1dpf n ASN 94 N -3.83 0.00 0.42 1.04 3.02 -1.04 -3.09 115.26 111.78 1dpf n ASN 94 Ca -0.02 0.43 -0.18 0.00 -0.03 0.00 0.00 54.58 54.77 1dpf n ASN 94 Cb 0.21 -0.47 -0.09 0.00 -0.61 0.00 0.00 39.78 38.82 1dpf n ASN 94 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1dpf h ILE 95 N 0.00 0.15 0.00 2.41 1.08 -1.23 0.55 117.51 120.47 1dpf h ILE 95 Ca 0.00 -0.11 -0.16 0.00 -0.39 0.00 0.00 64.86 64.20 1dpf h ILE 95 Cb 0.42 0.17 -0.02 0.00 -3.07 0.00 0.00 36.82 34.32 1dpf h ILE 95 CO 0.00 0.01 -0.74 1.55 -0.69 0.00 0.00 178.15 178.27 1dpf h PRO 96 N -1.16 0.00 0.00 2.37 0.13 -1.73 0.18 132.00 131.78 1dpf h PRO 96 Ca -0.11 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.90 1dpf h PRO 96 Cb 0.83 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.94 1dpf h PRO 96 CO 0.18 0.74 -0.61 0.93 -0.23 0.00 0.00 178.00 179.01 1dpf h GLU 97 N 0.00 0.00 0.00 0.86 5.08 -1.57 -3.40 114.58 115.54 1dpf h GLU 97 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1dpf h GLU 97 Cb 1.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.72 1dpf h GLU 97 CO 0.10 0.51 -0.31 1.17 -1.00 0.00 0.00 179.01 179.48 1dpf n LYS 98 N -3.20 0.00 -0.04 2.33 4.81 0.10 -4.91 118.16 117.25 1dpf n LYS 98 Ca 0.01 0.00 -0.17 0.00 -0.87 0.00 0.00 58.31 57.28 1dpf n LYS 98 Cb 0.75 -0.24 -0.07 0.00 0.02 0.00 0.00 35.03 35.49 1dpf n LYS 98 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 1dpf h TRP 99 N 0.00 1.00 0.10 5.64 4.06 -1.26 -3.17 115.95 122.32 1dpf h TRP 99 Ca 0.00 -0.42 -0.00 0.00 2.06 0.00 0.00 58.89 60.52 1dpf h TRP 99 Cb 0.31 -0.16 0.00 0.00 -1.00 0.00 0.00 29.16 28.30 1dpf h TRP 99 CO 0.00 1.24 -0.05 1.15 -3.56 0.00 0.00 178.44 177.22 1dpf h THR 100 N 0.47 1.01 -0.96 1.49 2.02 -1.20 -0.02 112.91 115.72 1dpf h THR 100 Ca -0.03 -0.39 0.03 0.00 0.77 0.00 0.00 66.41 66.78 1dpf h THR 100 Cb 1.29 1.26 -0.05 0.00 -1.74 0.00 0.00 68.15 68.91 1dpf h THR 100 CO 0.14 0.10 0.63 -0.65 0.37 0.00 0.00 175.52 176.11 1dpf h PRO 101 N -0.31 1.21 0.38 6.66 0.11 -1.78 0.13 132.00 138.40 1dpf h PRO 101 Ca -0.01 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 66.00 1dpf h PRO 101 Cb 0.26 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 31.10 1dpf h PRO 101 CO 0.02 0.80 -0.18 1.49 -0.21 0.00 0.00 178.00 179.92 1dpf h GLU 102 N 1.25 -0.49 -0.74 1.05 4.81 -1.50 -2.02 114.58 116.94 1dpf h GLU 102 Ca 0.37 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 1dpf h GLU 102 Cb -0.06 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.40 1dpf h GLU 102 CO -0.10 -0.19 0.47 0.28 -0.73 0.00 0.00 179.01 178.74 1dpf h VAL 103 N -0.81 1.20 0.00 0.32 2.07 -0.83 -1.43 116.25 116.78 1dpf h VAL 103 Ca -0.05 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.02 1dpf h VAL 103 Cb 0.53 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1dpf h VAL 103 CO 0.09 0.20 -0.22 0.11 0.02 0.00 0.00 177.57 177.77 1dpf h LYS 104 N 1.00 0.00 0.00 1.57 1.57 -0.77 0.55 116.57 120.49 1dpf h LYS 104 Ca 0.27 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.03 1dpf h LYS 104 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1dpf h LYS 104 CO -0.05 0.22 -0.07 1.25 -0.57 0.00 0.00 179.45 180.22 1dpf h HIS 105 N 0.00 0.07 0.00 -1.35 2.76 -0.58 -3.16 115.15 112.88 1dpf h HIS 105 Ca -0.00 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 1dpf h HIS 105 Cb 0.53 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.49 1dpf h HIS 105 CO 0.00 0.88 -0.49 0.74 -1.30 0.00 0.00 177.93 177.76 1dpf h PHE 106 N -0.76 0.00 -2.13 5.26 0.04 -1.23 -3.38 116.94 114.73 1dpf h PHE 106 Ca -0.01 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.21 1dpf h PHE 106 Cb 0.90 0.00 -0.41 0.00 2.20 0.00 0.00 35.95 38.65 1dpf h PHE 106 CO 0.22 0.00 -0.90 0.00 -0.60 0.00 0.00 178.31 177.03 1dpf s PRO 108 N -2.64 4.22 0.00 0.00 0.04 -1.19 -2.53 135.00 132.89 1dpf s PRO 108 Ca 0.43 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.83 1dpf s PRO 108 Cb 0.27 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.70 1dpf s PRO 108 CO -0.10 -0.52 0.00 0.09 0.04 0.00 0.00 177.00 176.51 1dpf n ASN 109 N 2.92 -4.54 -4.72 6.66 3.02 -1.26 -4.98 115.26 112.36 1dpf n ASN 109 Ca 0.10 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.25 1dpf n ASN 109 Cb 0.39 -2.20 -0.05 0.00 -0.61 0.00 0.00 39.78 37.31 1dpf n ASN 109 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1dpf s VAL 110 N -1.46 4.99 0.36 2.41 1.01 -1.05 -5.02 120.40 121.64 1dpf s VAL 110 Ca 0.00 1.48 -0.28 0.00 0.00 0.00 0.00 61.98 63.18 1dpf s VAL 110 Cb 0.00 -4.05 -0.11 0.00 0.00 0.00 0.00 36.38 32.22 1dpf s VAL 110 CO 0.00 0.27 1.41 -2.16 0.00 0.00 0.00 175.10 174.63 1dpf s PRO 111 N 0.63 4.20 -0.10 2.72 0.04 -1.26 -4.85 135.00 136.38 1dpf s PRO 111 Ca 0.38 2.43 0.02 0.00 0.04 0.00 0.00 61.00 63.86 1dpf s PRO 111 Cb -0.18 -3.01 -0.02 0.00 0.04 0.00 0.00 34.50 31.34 1dpf s PRO 111 CO 0.19 -0.40 -0.15 0.42 0.04 0.00 0.00 177.00 177.11 1dpf s ILE 112 N -1.13 2.93 -0.31 0.56 1.01 -1.26 -1.14 121.20 121.86 1dpf s ILE 112 Ca 0.51 -0.73 -0.06 0.00 0.00 0.00 0.00 60.65 60.37 1dpf s ILE 112 Cb -0.44 -2.19 0.02 0.00 0.01 0.00 0.00 42.46 39.86 1dpf s ILE 112 CO 0.59 0.55 0.08 -0.63 0.00 0.00 0.00 174.94 175.52 1dpf s ILE 113 N 0.03 3.80 -0.25 2.92 -1.09 0.92 -0.32 121.20 127.20 1dpf s ILE 113 Ca -0.05 -0.88 -0.29 0.00 -2.23 0.00 0.00 60.65 57.20 1dpf s ILE 113 Cb -0.14 -3.03 0.01 0.00 -1.58 0.00 0.00 42.46 37.71 1dpf s ILE 113 CO 0.04 -0.01 1.09 -0.22 -1.23 0.00 0.00 174.94 174.62 1dpf s LEU 114 N 1.45 4.04 -0.14 2.97 2.96 -0.59 -1.26 118.68 128.11 1dpf s LEU 114 Ca 0.01 1.30 0.01 0.00 -0.22 0.00 0.00 54.13 55.23 1dpf s LEU 114 Cb -0.18 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 42.97 1dpf s LEU 114 CO 0.02 -0.77 -0.17 -0.69 -1.32 0.00 0.00 176.35 173.41 1dpf s VAL 115 N 3.45 2.51 -0.44 1.68 1.01 0.05 -1.40 120.40 127.26 1dpf s VAL 115 Ca 0.46 -0.83 -0.15 0.00 0.00 0.00 0.00 61.98 61.46 1dpf s VAL 115 Cb -0.15 -2.04 0.05 0.00 0.00 0.00 0.00 36.38 34.24 1dpf s VAL 115 CO 0.11 0.53 0.34 -0.83 0.00 0.00 0.00 175.10 175.25 1dpf s GLY 116 N 0.71 2.03 0.64 4.51 0.00 -0.08 -1.98 107.32 113.14 1dpf s GLY 116 Ca -0.08 -1.93 -0.06 0.00 0.00 0.00 0.00 44.72 42.64 1dpf s GLY 116 CO 0.01 0.99 0.95 -1.31 0.00 0.00 0.00 173.10 173.74 1dpf s ASN 117 N 2.16 5.29 -1.37 1.64 0.01 -0.27 -1.27 114.94 121.13 1dpf s ASN 117 Ca 0.04 0.64 -0.06 0.00 -0.71 0.00 0.00 52.86 52.77 1dpf s ASN 117 Cb -0.22 -1.49 0.03 0.00 0.41 0.00 0.00 41.25 39.98 1dpf s ASN 117 CO 0.08 -1.28 0.97 0.29 -1.51 0.00 0.00 177.10 175.65 1dpf n LYS 118 N -2.73 -6.28 0.13 -0.60 5.02 -0.96 -1.00 118.16 111.74 1dpf n LYS 118 Ca 0.06 0.72 0.11 0.00 -2.02 0.00 0.00 58.31 57.17 1dpf n LYS 118 Cb 0.59 -5.60 0.49 0.00 -0.02 0.00 0.00 35.03 30.49 1dpf n LYS 118 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1dpf n LYS 119 N -4.57 0.15 0.14 1.97 2.85 -0.50 -1.36 118.16 116.84 1dpf n LYS 119 Ca -0.12 0.50 0.13 0.00 -1.05 0.00 0.00 58.31 57.78 1dpf n LYS 119 Cb 0.60 -1.87 0.44 0.00 -0.65 0.00 0.00 35.03 33.55 1dpf n LYS 119 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 177.40 177.73 1dpf h ASP 120 N 0.00 0.00 0.78 -5.58 2.03 -1.89 -3.03 116.42 108.72 1dpf h ASP 120 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1dpf h ASP 120 Cb 0.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.70 1dpf h ASP 120 CO 0.00 0.00 -0.58 0.18 -1.03 0.00 0.00 179.24 177.81 1dpf n LEU 121 N -2.41 0.63 -0.37 0.15 4.32 -0.46 -4.10 117.00 114.75 1dpf n LEU 121 Ca 0.04 0.18 0.04 0.00 -0.02 0.00 0.00 56.01 56.24 1dpf n LEU 121 Cb 0.36 -0.21 0.19 0.00 -1.62 0.00 0.00 43.42 42.13 1dpf n LEU 121 CO 0.27 -0.01 1.26 -0.09 -1.22 0.00 0.00 177.39 177.60 1dpf h ARG 122 N 0.00 1.11 -0.32 3.23 2.43 -1.65 -1.99 114.38 117.18 1dpf h ARG 122 Ca 0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1dpf h ARG 122 Cb 0.68 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1dpf h ARG 122 CO 0.00 0.74 0.00 0.27 -1.51 0.00 0.00 179.97 179.47 1dpf n ASN 123 N -4.52 2.94 -4.69 -3.80 0.23 -1.26 -4.85 115.26 99.31 1dpf n ASN 123 Ca 0.16 -1.92 -0.42 0.00 -0.53 0.00 0.00 54.58 51.87 1dpf n ASN 123 Cb 0.22 -0.21 -0.03 0.00 -2.08 0.00 0.00 39.78 37.68 1dpf n ASN 123 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1dpf s ASP 124 N -1.51 7.11 0.34 0.53 2.15 -0.75 -4.94 116.67 119.60 1dpf s ASP 124 Ca 0.37 1.71 0.07 0.00 0.43 0.00 0.00 52.55 55.12 1dpf s ASP 124 Cb 0.21 -2.56 0.63 0.00 -0.30 0.00 0.00 42.92 40.90 1dpf s ASP 124 CO 0.30 -0.55 1.84 1.05 -0.17 0.00 0.00 175.17 177.64 1dpf h GLU 125 N 7.38 0.34 -0.19 4.34 4.11 -1.92 -2.36 114.58 126.28 1dpf h GLU 125 Ca -0.32 -0.10 -0.10 0.00 0.07 0.00 0.00 59.36 58.91 1dpf h GLU 125 Cb 1.15 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 1dpf h GLU 125 CO 0.88 0.51 -0.29 1.25 0.07 0.00 0.00 179.01 181.43 1dpf h HIS 126 N 0.32 0.66 0.00 2.06 2.76 -1.95 -2.58 115.15 116.41 1dpf h HIS 126 Ca 0.06 -0.22 -0.01 0.00 -2.20 0.00 0.00 60.37 58.00 1dpf h HIS 126 Cb 0.48 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.31 1dpf h HIS 126 CO 0.01 0.93 -0.05 1.79 -1.30 0.00 0.00 177.93 179.32 1dpf h THR 127 N 0.19 0.13 -0.05 6.26 1.35 -1.85 -1.96 112.91 116.98 1dpf h THR 127 Ca 0.02 -0.61 -0.22 0.00 -0.55 0.00 0.00 66.41 65.05 1dpf h THR 127 Cb 0.87 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.83 1dpf h THR 127 CO 0.07 0.05 -0.85 0.00 -0.25 0.00 0.00 175.52 174.53 1dpf h ALA 128 N 1.95 0.40 -0.05 6.62 0.00 -1.31 -2.75 119.26 124.13 1dpf h ALA 128 Ca -0.00 -0.66 -0.15 0.00 0.00 0.00 0.00 54.91 54.11 1dpf h ALA 128 Cb 0.53 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1dpf h ALA 128 CO 0.01 0.76 -0.55 0.00 0.00 0.00 0.00 179.25 179.47 1dpf h ARG 129 N 0.32 0.47 -0.84 0.00 3.08 -1.08 -2.28 114.38 114.04 1dpf h ARG 129 Ca -0.06 -0.43 -0.03 0.00 0.07 0.00 0.00 59.98 59.52 1dpf h ARG 129 Cb 1.47 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 31.59 1dpf h ARG 129 CO 0.15 1.07 0.39 0.93 -1.07 0.00 0.00 179.97 181.45 1dpf h GLU 130 N 0.02 1.23 0.00 0.04 4.39 -1.45 -2.47 114.58 116.33 1dpf h GLU 130 Ca -0.05 -0.19 -0.13 0.00 0.34 0.00 0.00 59.36 59.32 1dpf h GLU 130 Cb 1.22 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 29.64 1dpf h GLU 130 CO 0.11 0.95 -0.63 -0.07 -1.16 0.00 0.00 179.01 178.21 1dpf h LEU 131 N 1.21 0.00 -1.54 1.33 3.38 -1.55 -2.96 115.31 115.18 1dpf h LEU 131 Ca 0.29 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.21 1dpf h LEU 131 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1dpf h LEU 131 CO -0.03 0.63 -0.24 0.00 0.09 0.00 0.00 178.44 178.89 1dpf h ALA 132 N 1.37 1.46 -0.07 1.53 0.00 -0.95 0.36 119.26 122.96 1dpf h ALA 132 Ca -0.01 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1dpf h ALA 132 Cb 1.12 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1dpf h ALA 132 CO 0.08 0.30 -0.18 0.87 0.00 0.00 0.00 179.25 180.33 1dpf h LYS 133 N 0.00 0.11 -0.72 0.00 1.57 -1.31 -1.42 116.57 114.80 1dpf h LYS 133 Ca -0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1dpf h LYS 133 Cb 0.47 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1dpf h LYS 133 CO 0.03 0.29 0.00 -1.33 -0.57 0.00 0.00 179.45 177.87 1dpf n MET 134 N -4.28 2.85 -3.42 3.15 2.81 -0.78 -4.94 117.12 112.52 1dpf n MET 134 Ca -0.02 -2.64 -0.19 0.00 -1.81 0.00 0.00 57.70 53.04 1dpf n MET 134 Cb 0.27 -1.62 0.07 0.00 -0.71 0.00 0.00 33.22 31.24 1dpf n MET 134 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1dpf n LYS 135 N 1.54 -6.76 -4.45 0.03 5.02 -0.54 -5.02 118.16 107.97 1dpf n LYS 135 Ca 0.24 0.75 -0.22 0.00 -2.02 0.00 0.00 58.31 57.06 1dpf n LYS 135 Cb 0.66 -5.53 -0.09 0.00 -0.02 0.00 0.00 35.03 30.04 1dpf n LYS 135 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1dpf s GLN 136 N -5.86 1.74 0.08 1.97 -0.21 0.12 -4.98 119.66 112.52 1dpf s GLN 136 Ca 0.35 -2.01 -0.19 0.00 0.02 0.00 0.00 55.36 53.53 1dpf s GLN 136 Cb -0.15 -0.62 0.04 0.00 1.00 0.00 0.00 33.01 33.28 1dpf s GLN 136 CO 0.65 -0.35 0.46 -1.83 -2.12 0.00 0.00 175.29 172.11 1dpf s GLU 137 N -3.83 1.03 0.59 2.91 -1.05 -1.26 -3.19 118.70 113.91 1dpf s GLU 137 Ca 0.31 -0.44 -0.18 0.00 -0.15 0.00 0.00 54.97 54.51 1dpf s GLU 137 Cb 0.06 0.46 -0.08 0.00 -0.44 0.00 0.00 34.13 34.13 1dpf s GLU 137 CO 0.15 -0.39 0.53 -2.30 0.95 0.00 0.00 175.26 174.20 1dpf n PRO 138 N 0.16 0.49 -2.22 -4.83 -0.02 -1.26 -4.64 135.00 122.68 1dpf n PRO 138 Ca -0.17 0.19 -0.42 0.00 -2.02 0.00 0.00 63.50 61.08 1dpf n PRO 138 Cb 0.62 -1.72 -0.03 0.00 -0.02 0.00 0.00 33.50 32.34 1dpf n PRO 138 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1dpf s VAL 139 N -1.74 3.29 0.29 -1.45 1.01 0.16 -5.01 120.40 116.95 1dpf s VAL 139 Ca 0.68 1.01 -0.14 0.00 0.00 0.00 0.00 61.98 63.53 1dpf s VAL 139 Cb -0.43 -3.65 -0.09 0.00 0.00 0.00 0.00 36.38 32.22 1dpf s VAL 139 CO 0.55 0.12 0.70 -0.54 0.00 0.00 0.00 175.10 175.93 1dpf s LYS 140 N 0.33 3.98 0.30 2.72 1.02 -1.26 -4.97 119.74 121.86 1dpf s LYS 140 Ca 0.59 0.61 0.05 0.00 0.02 0.00 0.00 55.97 57.24 1dpf s LYS 140 Cb -0.36 -2.51 0.72 0.00 -0.52 0.00 0.00 37.83 35.16 1dpf s LYS 140 CO 0.35 0.21 1.78 -1.35 -0.92 0.00 0.00 175.35 175.42 1dpf h PRO 141 N 2.42 0.74 -0.91 -1.68 0.11 -2.00 -1.06 132.00 129.62 1dpf h PRO 141 Ca -0.48 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.58 1dpf h PRO 141 Cb 1.18 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.07 1dpf h PRO 141 CO 0.66 0.49 0.55 0.00 -0.21 0.00 0.00 178.00 179.50 1dpf h ALA 142 N 1.64 1.26 -0.75 -0.75 0.00 -1.99 -1.61 119.26 117.06 1dpf h ALA 142 Ca 0.57 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.34 1dpf h ALA 142 Cb 0.87 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1dpf h ALA 142 CO -0.38 0.64 0.27 0.93 0.00 0.00 0.00 179.25 180.71 1dpf h GLU 143 N 1.25 1.13 -0.37 0.00 5.08 -1.59 -0.58 114.58 119.51 1dpf h GLU 143 Ca 0.33 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 1dpf h GLU 143 Cb -0.06 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 1dpf h GLU 143 CO -0.06 0.94 0.04 0.78 -1.00 0.00 0.00 179.01 179.71 1dpf h GLY 144 N 1.09 0.67 1.55 -3.84 0.00 -1.22 -1.22 103.07 100.10 1dpf h GLY 144 Ca 0.25 -0.47 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 1dpf h GLY 144 CO -0.02 0.43 0.01 3.21 0.00 0.00 0.00 176.54 180.17 1dpf h ARG 145 N 0.45 0.56 -0.19 4.80 3.08 -1.06 -0.88 114.38 121.15 1dpf h ARG 145 Ca 0.11 -0.12 -0.18 0.00 0.07 0.00 0.00 59.98 59.85 1dpf h ARG 145 Cb 0.40 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 1dpf h ARG 145 CO 0.01 0.58 -0.63 -0.44 -1.07 0.00 0.00 179.97 178.42 1dpf h ASP 146 N 0.54 0.76 -0.30 7.04 3.32 -0.93 -2.35 116.42 124.49 1dpf h ASP 146 Ca 0.12 -0.44 -0.11 0.00 0.02 0.00 0.00 57.03 56.61 1dpf h ASP 146 Cb 0.33 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1dpf h ASP 146 CO 0.01 1.20 -0.21 -0.03 -1.72 0.00 0.00 179.24 178.49 1dpf h MET 147 N 0.49 0.77 -0.58 3.56 4.05 -0.89 -0.55 114.93 121.78 1dpf h MET 147 Ca -0.01 -0.31 -0.01 0.00 -0.28 0.00 0.00 59.70 59.09 1dpf h MET 147 Cb 1.21 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.94 1dpf h MET 147 CO 0.12 0.92 0.32 0.00 0.23 0.00 0.00 176.91 178.50 1dpf h ALA 148 N 1.08 0.75 -0.42 0.39 0.00 -1.06 -0.35 119.26 119.64 1dpf h ALA 148 Ca 0.10 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1dpf h ALA 148 Cb 0.72 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1dpf h ALA 148 CO 0.06 0.27 -0.06 -0.91 0.00 0.00 0.00 179.25 178.61 1dpf h ASN 149 N 0.79 0.78 -0.70 0.00 2.35 -1.18 -0.30 115.58 117.32 1dpf h ASN 149 Ca 0.20 -0.34 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 1dpf h ASN 149 Cb 0.05 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.18 1dpf h ASN 149 CO -0.03 0.94 0.39 -0.09 -1.65 0.00 0.00 177.43 176.98 1dpf h ARG 150 N 0.61 0.97 -0.01 0.81 2.43 -0.75 -2.66 114.38 115.78 1dpf h ARG 150 Ca 0.11 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1dpf h ARG 150 Cb 0.57 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1dpf h ARG 150 CO 0.03 0.72 -0.10 0.44 -1.51 0.00 0.00 179.97 179.55 1dpf n ILE 151 N -4.50 0.00 -3.01 1.20 -5.35 -0.17 -4.94 119.36 102.58 1dpf n ILE 151 Ca 0.06 -0.13 -0.11 0.00 -0.27 0.00 0.00 62.75 62.30 1dpf n ILE 151 Cb 0.08 0.16 0.04 0.00 -1.74 0.00 0.00 39.64 38.19 1dpf n ILE 151 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1dpf n GLY 152 N 1.23 0.22 3.81 3.28 0.00 -0.84 -5.01 105.19 107.87 1dpf n GLY 152 Ca 0.16 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 1dpf n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dpf s ALA 153 N -3.16 3.02 0.35 4.61 0.00 -0.18 -4.78 121.76 121.62 1dpf s ALA 153 Ca 0.27 0.49 0.03 0.00 0.00 0.00 0.00 51.96 52.75 1dpf s ALA 153 Cb -0.12 -3.19 0.66 0.00 0.00 0.00 0.00 23.12 20.47 1dpf s ALA 153 CO 0.35 0.00 1.99 0.35 0.00 0.00 0.00 175.76 178.45 1dpf h PHE 154 N 2.01 0.80 -1.74 0.00 3.04 -1.00 -3.46 116.94 116.60 1dpf h PHE 154 Ca -0.49 0.02 0.27 0.00 3.98 0.00 0.00 57.97 61.75 1dpf h PHE 154 Cb 1.19 -0.27 -0.11 0.00 2.56 0.00 0.00 35.95 39.32 1dpf h PHE 154 CO 0.60 0.48 0.72 0.20 -2.02 0.00 0.00 178.31 178.29 1dpf s GLY 155 N -3.50 -0.35 -0.04 2.40 0.00 -1.24 -5.07 107.32 99.51 1dpf s GLY 155 Ca -0.10 0.58 0.07 0.00 0.00 0.00 0.00 44.72 45.26 1dpf s GLY 155 CO 0.77 0.11 -0.25 -0.47 0.00 0.00 0.00 173.10 173.26 1dpf s TYR 156 N -2.70 2.39 0.01 1.90 5.04 -1.26 -1.54 117.35 121.19 1dpf s TYR 156 Ca 0.13 -0.62 -0.00 0.00 -2.44 0.00 0.00 57.07 54.14 1dpf s TYR 156 Cb 0.03 -1.56 -0.01 0.00 0.35 0.00 0.00 41.96 40.77 1dpf s TYR 156 CO -0.02 -0.15 -0.00 -1.64 -1.34 0.00 0.00 175.55 172.39 1dpf s MET 157 N -0.32 0.16 0.09 4.97 -1.94 -0.49 -4.99 119.30 116.77 1dpf s MET 157 Ca 0.01 -0.29 0.08 0.00 -1.71 0.00 0.00 55.69 53.78 1dpf s MET 157 Cb -0.12 0.06 -0.04 0.00 2.01 0.00 0.00 34.83 36.74 1dpf s MET 157 CO 0.02 -0.03 -0.15 -1.21 -0.01 0.00 0.00 175.02 173.64 1dpf s GLU 158 N -0.71 2.00 0.31 2.03 2.02 -1.26 -0.90 118.70 122.18 1dpf s GLU 158 Ca -0.08 -1.06 -0.17 0.00 0.02 0.00 0.00 54.97 53.69 1dpf s GLU 158 Cb -0.05 -2.21 0.02 0.00 0.10 0.00 0.00 34.13 32.00 1dpf s GLU 158 CO -0.00 0.51 0.67 0.00 0.02 0.00 0.00 175.26 176.46 1dpf s SER 160 N -3.00 1.14 0.38 0.00 0.15 0.37 -1.41 113.70 111.32 1dpf s SER 160 Ca 0.16 0.04 0.16 0.00 0.70 0.00 0.00 55.95 57.02 1dpf s SER 160 Cb -0.04 0.27 0.75 0.00 -1.71 0.00 0.00 66.02 65.29 1dpf s SER 160 CO 0.10 -0.28 1.80 0.00 1.20 0.00 0.00 173.24 176.05 1dpf h ALA 161 N 8.35 1.19 -0.03 5.45 0.00 -1.90 0.39 119.26 132.70 1dpf h ALA 161 Ca -0.15 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1dpf h ALA 161 Cb 1.13 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1dpf h ALA 161 CO 0.21 0.47 -0.04 -0.22 0.00 0.00 0.00 179.25 179.67 1dpf h LYS 162 N 0.00 0.09 0.00 0.00 3.64 -1.94 -3.27 116.57 115.08 1dpf h LYS 162 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1dpf h LYS 162 Cb 0.76 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1dpf h LYS 162 CO 0.05 0.55 -0.73 0.25 -2.27 0.00 0.00 179.45 177.30 1dpf n THR 163 N -4.78 0.04 -0.89 1.00 -2.24 -1.22 -4.95 114.28 101.24 1dpf n THR 163 Ca -0.08 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1dpf n THR 163 Cb 0.28 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 1dpf n THR 163 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1dpf n LYS 164 N -1.61 -0.22 -2.11 -0.78 5.02 0.14 -4.99 118.16 113.62 1dpf n LYS 164 Ca 0.04 0.05 -0.42 0.00 -2.02 0.00 0.00 58.31 55.97 1dpf n LYS 164 Cb 0.36 -3.33 -0.03 0.00 -0.02 0.00 0.00 35.03 32.01 1dpf n LYS 164 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1dpf s ASP 165 N -2.45 6.75 0.00 4.39 3.68 -1.09 -3.01 116.67 124.94 1dpf s ASP 165 Ca 0.00 2.23 0.00 0.00 2.13 0.00 0.00 52.55 56.91 1dpf s ASP 165 Cb 0.00 -2.56 0.00 0.00 -1.45 0.00 0.00 42.92 38.91 1dpf s ASP 165 CO 0.00 -0.80 0.00 0.61 0.13 0.00 0.00 175.17 175.11 1dpf n GLY 166 N 3.82 2.31 0.07 2.66 0.00 -1.26 -0.48 105.19 112.31 1dpf n GLY 166 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.05 1dpf n GLY 166 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1dpf h VAL 167 N 0.00 1.11 -0.44 1.61 2.07 -1.82 -2.34 116.25 116.44 1dpf h VAL 167 Ca 0.00 -0.32 0.06 0.00 0.82 0.00 0.00 66.70 67.25 1dpf h VAL 167 Cb 0.00 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 1dpf h VAL 167 CO 0.00 0.09 0.16 -0.09 0.02 0.00 0.00 177.57 177.75 1dpf h ARG 168 N -0.02 0.32 -0.51 1.57 9.65 -1.92 -2.24 114.38 121.24 1dpf h ARG 168 Ca 0.02 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 1dpf h ARG 168 Cb 0.12 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.61 1dpf h ARG 168 CO -0.00 0.21 0.28 0.93 2.80 0.00 0.00 179.97 184.19 1dpf h GLU 169 N 0.33 0.70 -0.24 0.20 3.07 -1.94 -1.74 114.58 114.97 1dpf h GLU 169 Ca 0.21 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 1dpf h GLU 169 Cb 0.20 -0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 27.95 1dpf h GLU 169 CO -0.21 0.52 0.15 0.28 -1.40 0.00 0.00 179.01 178.35 1dpf h VAL 170 N 0.71 1.08 0.00 3.13 2.07 -0.84 -1.23 116.25 121.17 1dpf h VAL 170 Ca 0.18 -0.18 -0.11 0.00 0.82 0.00 0.00 66.70 67.41 1dpf h VAL 170 Cb 0.02 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1dpf h VAL 170 CO -0.03 0.08 -0.52 -0.26 0.02 0.00 0.00 177.57 176.85 1dpf h PHE 171 N 0.31 0.00 -0.30 1.57 0.04 -1.33 -1.43 116.94 115.80 1dpf h PHE 171 Ca 0.09 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.68 1dpf h PHE 171 Cb -0.00 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.15 1dpf h PHE 171 CO -0.05 0.52 -0.51 0.93 -0.60 0.00 0.00 178.31 178.60 1dpf h GLU 172 N 0.00 0.86 -0.37 1.51 5.08 -1.12 -1.14 114.58 119.41 1dpf h GLU 172 Ca -0.01 -0.52 -0.12 0.00 -1.00 0.00 0.00 59.36 57.71 1dpf h GLU 172 Cb 1.08 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 1dpf h GLU 172 CO 0.07 1.16 -0.25 1.98 -1.00 0.00 0.00 179.01 180.97 1dpf h MET 173 N 0.67 0.82 -0.79 2.33 4.05 -1.10 -2.14 114.93 118.77 1dpf h MET 173 Ca 0.03 -0.39 -0.02 0.00 -0.28 0.00 0.00 59.70 59.03 1dpf h MET 173 Cb 1.11 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.86 1dpf h MET 173 CO 0.11 1.02 0.41 0.00 0.23 0.00 0.00 176.91 178.69 1dpf h ALA 174 N 0.78 1.23 -0.36 0.39 0.00 -1.18 -1.16 119.26 118.96 1dpf h ALA 174 Ca 0.07 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1dpf h ALA 174 Cb 0.82 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1dpf h ALA 174 CO 0.07 0.61 -0.20 1.15 0.00 0.00 0.00 179.25 180.87 1dpf h THR 175 N 1.12 1.29 -0.68 0.00 2.02 -1.10 -1.28 112.91 114.28 1dpf h THR 175 Ca 0.28 -1.34 -0.07 0.00 0.77 0.00 0.00 66.41 66.06 1dpf h THR 175 Cb 0.06 1.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 1dpf h THR 175 CO -0.04 0.44 0.17 0.03 0.37 0.00 0.00 175.52 176.49 1dpf h ARG 176 N 0.56 1.09 -0.56 6.66 3.08 -1.14 -0.95 114.38 123.12 1dpf h ARG 176 Ca 0.08 -0.26 -0.06 0.00 0.07 0.00 0.00 59.98 59.81 1dpf h ARG 176 Cb 0.76 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1dpf h ARG 176 CO 0.06 0.97 0.11 0.00 -1.07 0.00 0.00 179.97 180.03 1dpf h ALA 177 N 1.08 0.74 -0.30 0.04 0.00 -1.13 0.64 119.26 120.32 1dpf h ALA 177 Ca 0.22 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1dpf h ALA 177 Cb 0.36 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1dpf h ALA 177 CO 0.00 0.47 -0.06 0.00 0.00 0.00 0.00 179.25 179.66 1dpf h ALA 178 N 1.01 1.33 -0.09 0.00 0.00 -0.96 -3.00 119.26 117.55 1dpf h ALA 178 Ca 0.17 -0.23 -0.24 0.00 0.00 0.00 0.00 54.91 54.61 1dpf h ALA 178 Cb 0.38 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1dpf h ALA 178 CO 0.01 0.45 -0.88 -0.07 0.00 0.00 0.00 179.25 178.76 1dpf h LEU 179 N 0.46 0.91 -1.81 0.00 4.07 -0.77 -3.48 115.31 114.69 1dpf h LEU 179 Ca 0.09 -0.65 0.00 0.00 0.08 0.00 0.00 57.88 57.41 1dpf h LEU 179 Cb 0.40 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 41.86 1dpf h LEU 179 CO 0.02 1.45 0.00 0.00 -1.08 0.00 0.00 178.44 178.83