#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pbw s THR 5 N 0.00 4.67 0.14 5.15 2.01 -1.26 -4.41 115.64 121.94 2pbw s THR 5 Ca 0.00 1.93 -0.23 0.00 0.31 0.00 0.00 61.69 63.70 2pbw s THR 5 Cb 0.00 -4.23 -0.08 0.00 0.01 0.00 0.00 72.50 68.20 2pbw s THR 5 CO 0.00 0.16 0.71 -0.76 -0.69 0.00 0.00 174.62 174.03 2pbw s LEU 6 N 0.98 4.56 -0.23 4.42 1.43 0.02 -4.88 118.68 124.98 2pbw s LEU 6 Ca 0.53 1.51 -0.20 0.00 -1.03 0.00 0.00 54.13 54.95 2pbw s LEU 6 Cb -0.23 -3.19 -0.02 0.00 0.03 0.00 0.00 46.19 42.78 2pbw s LEU 6 CO 0.28 0.22 0.58 -0.63 0.23 0.00 0.00 176.35 177.04 2pbw s ILE 7 N -1.16 5.04 -0.31 -0.59 -1.09 -1.26 -1.07 121.20 120.75 2pbw s ILE 7 Ca 0.34 1.05 -0.08 0.00 -2.23 0.00 0.00 60.65 59.74 2pbw s ILE 7 Cb -0.22 -3.89 0.01 0.00 -1.58 0.00 0.00 42.46 36.78 2pbw s ILE 7 CO 0.24 0.09 0.11 -0.69 -1.23 0.00 0.00 174.94 173.46 2pbw s VAL 8 N 2.15 4.18 0.03 2.92 1.01 -0.34 -0.57 120.40 129.78 2pbw s VAL 8 Ca 0.25 -0.66 -0.22 0.00 0.00 0.00 0.00 61.98 61.35 2pbw s VAL 8 Cb -0.16 -3.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.99 2pbw s VAL 8 CO 0.09 0.03 0.64 0.28 0.00 0.00 0.00 175.10 176.14 2pbw s THR 9 N 1.53 4.82 0.35 3.92 -1.32 -0.09 -0.31 115.64 124.53 2pbw s THR 9 Ca 0.03 1.35 -0.02 0.00 -1.21 0.00 0.00 61.69 61.83 2pbw s THR 9 Cb -0.17 -3.98 0.01 0.00 -1.51 0.00 0.00 72.50 66.85 2pbw s THR 9 CO 0.04 0.43 0.50 1.07 -2.21 0.00 0.00 174.62 174.45 2pbw n THR 10 N 2.54 0.00 -3.93 5.08 5.66 -0.83 -2.70 114.28 120.10 2pbw n THR 10 Ca -0.06 -1.75 -0.10 0.00 -3.05 0.00 0.00 64.05 59.09 2pbw n THR 10 Cb 0.51 1.10 -0.10 0.00 -1.55 0.00 0.00 70.33 70.29 2pbw n THR 10 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 2pbw s ILE 11 N -2.79 0.12 -0.06 1.09 2.07 -1.26 -0.79 121.20 119.58 2pbw s ILE 11 Ca 0.29 -1.02 -0.30 0.00 -1.41 0.00 0.00 60.65 58.21 2pbw s ILE 11 Cb -0.01 -0.75 -0.02 0.00 0.13 0.00 0.00 42.46 41.81 2pbw s ILE 11 CO 0.21 -0.56 1.09 -0.76 -1.91 0.00 0.00 174.94 173.00 2pbw s LEU 12 N -1.93 4.28 -0.30 8.50 1.43 -1.26 -4.51 118.68 124.89 2pbw s LEU 12 Ca -0.08 1.68 -0.13 0.00 -1.03 0.00 0.00 54.13 54.58 2pbw s LEU 12 Cb -0.03 -3.56 0.15 0.00 0.03 0.00 0.00 46.19 42.78 2pbw s LEU 12 CO -0.03 -0.47 0.85 -0.70 0.23 0.00 0.00 176.35 176.22 2pbw s GLU 13 N 1.89 0.41 0.23 1.70 2.56 -0.26 -4.96 118.70 120.27 2pbw s GLU 13 Ca 0.52 1.04 -0.30 0.00 0.00 0.00 0.00 54.97 56.23 2pbw s GLU 13 Cb -0.22 0.62 -0.09 0.00 2.00 0.00 0.00 34.13 36.44 2pbw s GLU 13 CO 0.21 -0.14 1.35 -1.21 -0.56 0.00 0.00 175.26 174.91 2pbw s GLU 14 N 2.63 4.35 -0.30 4.30 2.02 -1.26 0.18 118.70 130.62 2pbw s GLU 14 Ca -0.04 2.14 0.10 0.00 0.02 0.00 0.00 54.97 57.19 2pbw s GLU 14 Cb -0.08 -3.16 0.57 0.00 0.10 0.00 0.00 34.13 31.56 2pbw s GLU 14 CO -0.18 -0.29 1.58 -0.35 0.02 0.00 0.00 175.26 176.04 2pbw n PRO 15 N 2.35 2.34 0.04 0.39 -0.04 -1.26 -4.93 135.00 133.88 2pbw n PRO 15 Ca 0.06 -3.08 -0.11 0.00 -0.04 0.00 0.00 63.50 60.33 2pbw n PRO 15 Cb 0.42 -1.94 -0.08 0.00 -0.04 0.00 0.00 33.50 31.86 2pbw n PRO 15 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2pbw h TYR 16 N 1.35 -0.16 -3.25 0.54 0.05 -0.60 -1.56 116.97 113.33 2pbw h TYR 16 Ca 0.26 -0.00 -0.43 0.00 0.05 0.00 0.00 58.73 58.61 2pbw h TYR 16 Cb 1.93 0.05 -0.39 0.00 1.01 0.00 0.00 36.73 39.34 2pbw h TYR 16 CO 1.07 0.30 -0.76 0.08 -1.05 0.00 0.00 178.16 177.81 2pbw s VAL 17 N -3.30 0.18 0.04 -2.88 1.01 -0.45 -1.36 120.40 113.64 2pbw s VAL 17 Ca -0.13 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.97 2pbw s VAL 17 Cb 0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.88 2pbw s VAL 17 CO 0.49 0.13 -0.03 -0.04 0.00 0.00 0.00 175.10 175.64 2pbw s MET 18 N 2.04 0.51 0.06 2.72 -1.94 0.18 -1.10 119.30 121.78 2pbw s MET 18 Ca 0.04 -1.00 -0.30 0.00 -1.71 0.00 0.00 55.69 52.71 2pbw s MET 18 Cb -0.13 0.16 -0.05 0.00 2.01 0.00 0.00 34.83 36.81 2pbw s MET 18 CO -0.05 -0.09 1.17 0.71 -0.01 0.00 0.00 175.02 176.76 2pbw s TYR 19 N -3.01 3.46 0.92 -0.03 4.12 -1.26 -0.61 117.35 120.94 2pbw s TYR 19 Ca -0.01 1.35 -0.11 0.00 0.02 0.00 0.00 57.07 58.32 2pbw s TYR 19 Cb 0.01 -3.39 0.15 0.00 -1.52 0.00 0.00 41.96 37.21 2pbw s TYR 19 CO -0.07 -1.13 1.09 1.03 0.02 0.00 0.00 175.55 176.49 2pbw s ARG 20 N 0.98 1.00 -0.26 -0.62 0.52 0.13 -4.85 118.95 115.86 2pbw s ARG 20 Ca 0.58 1.07 -0.10 0.00 -0.52 0.00 0.00 55.73 56.75 2pbw s ARG 20 Cb -0.29 -1.76 -0.05 0.00 0.52 0.00 0.00 34.95 33.38 2pbw s ARG 20 CO 0.29 -2.49 0.16 0.15 0.02 0.00 0.00 175.30 173.44 2pbw s LYS 21 N -4.78 3.97 -0.04 3.54 -0.14 -1.26 -5.01 119.74 116.02 2pbw s LYS 21 Ca 0.65 -0.32 -0.21 0.00 -1.36 0.00 0.00 55.97 54.73 2pbw s LYS 21 Cb -0.20 -3.57 0.04 0.00 -1.68 0.00 0.00 37.83 32.42 2pbw s LYS 21 CO 0.58 -0.08 0.46 0.45 -0.76 0.00 0.00 175.35 176.01 2pbw s SER 22 N 1.44 -0.39 0.37 2.83 0.15 -1.26 -5.05 113.70 111.79 2pbw s SER 22 Ca 0.07 0.39 0.13 0.00 0.70 0.00 0.00 55.95 57.23 2pbw s SER 22 Cb -0.15 0.45 0.72 0.00 -1.71 0.00 0.00 66.02 65.33 2pbw s SER 22 CO 0.08 -0.49 1.83 0.44 1.20 0.00 0.00 173.24 176.29 2pbw h ASP 23 N 3.64 0.01 -1.84 5.45 3.32 -2.07 -3.45 116.42 121.47 2pbw h ASP 23 Ca -0.28 -0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.15 2pbw h ASP 23 Cb 1.16 -0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.59 2pbw h ASP 23 CO 0.38 0.37 -0.63 -1.59 -1.72 0.00 0.00 179.24 176.06 2pbw s LYS 24 N -4.20 1.95 0.32 3.56 0.00 -1.26 -5.10 119.74 115.01 2pbw s LYS 24 Ca -0.03 -1.92 -0.29 0.00 0.00 0.00 0.00 55.97 53.73 2pbw s LYS 24 Cb 0.14 -1.77 -0.12 0.00 0.00 0.00 0.00 37.83 36.09 2pbw s LYS 24 CO 0.73 0.08 1.46 -2.30 0.00 0.00 0.00 175.35 175.32 2pbw n PRO 25 N -0.91 2.47 -4.00 1.78 -0.02 -1.26 -5.01 135.00 128.04 2pbw n PRO 25 Ca -0.04 0.87 -0.28 0.00 -2.02 0.00 0.00 63.50 62.02 2pbw n PRO 25 Cb 0.64 -2.57 -0.05 0.00 -0.02 0.00 0.00 33.50 31.50 2pbw n PRO 25 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2pbw s LEU 26 N -1.01 4.07 0.12 2.45 1.43 -1.26 -5.13 118.68 119.35 2pbw s LEU 26 Ca 0.59 0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.80 2pbw s LEU 26 Cb -0.53 -2.68 -0.04 0.00 0.03 0.00 0.00 46.19 42.97 2pbw s LEU 26 CO 0.57 0.11 -0.11 -0.31 0.23 0.00 0.00 176.35 176.84 2pbw s TYR 27 N -1.62 1.18 0.00 0.29 1.51 -1.26 -4.83 117.35 112.61 2pbw s TYR 27 Ca 0.32 -0.69 0.00 0.00 -1.01 0.00 0.00 57.07 55.70 2pbw s TYR 27 Cb -0.11 -0.62 0.00 0.00 -0.11 0.00 0.00 41.96 41.11 2pbw s TYR 27 CO 0.25 0.04 0.00 0.41 -1.11 0.00 0.00 175.55 175.15 2pbw n GLY 28 N 0.26 1.34 0.24 0.71 0.00 -1.26 -2.45 105.19 104.03 2pbw n GLY 28 Ca -0.14 -0.54 0.16 0.00 0.00 0.00 0.00 46.02 45.50 2pbw n GLY 28 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2pbw h ASN 29 N 6.97 0.00 0.43 1.61 2.35 -1.93 -1.82 115.58 123.19 2pbw h ASN 29 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2pbw h ASN 29 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2pbw h ASN 29 CO 0.00 0.00 0.00 -0.67 -1.65 0.00 0.00 177.43 175.11 2pbw n ASP 30 N -2.72 0.27 0.18 5.81 2.03 -1.03 -2.20 116.55 118.89 2pbw n ASP 30 Ca -0.00 0.58 0.06 0.00 0.52 0.00 0.00 54.79 55.94 2pbw n ASP 30 Cb 0.17 -0.63 0.26 0.00 -0.72 0.00 0.00 41.12 40.20 2pbw n ASP 30 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2pbw h ARG 31 N 0.00 0.00 -6.13 -0.67 3.08 -1.36 -3.44 114.38 105.85 2pbw h ARG 31 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 2pbw h ARG 31 Cb 0.22 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.16 2pbw h ARG 31 CO 0.00 0.38 -0.65 -0.06 -1.07 0.00 0.00 179.97 178.57 2pbw s PHE 32 N -3.39 2.57 0.16 3.04 0.40 -0.93 -0.69 117.98 119.13 2pbw s PHE 32 Ca 0.02 -0.32 -0.17 0.00 -0.60 0.00 0.00 56.93 55.85 2pbw s PHE 32 Cb 0.10 -1.29 0.03 0.00 0.51 0.00 0.00 43.02 42.37 2pbw s PHE 32 CO 0.69 0.57 0.46 -1.83 0.70 0.00 0.00 175.22 175.81 2pbw s GLU 33 N -3.67 1.21 0.00 0.44 -1.05 0.22 -4.74 118.70 111.11 2pbw s GLU 33 Ca 0.33 -0.77 0.00 0.00 -0.15 0.00 0.00 54.97 54.37 2pbw s GLU 33 Cb -0.04 0.49 0.00 0.00 -0.44 0.00 0.00 34.13 34.15 2pbw s GLU 33 CO 0.19 -0.50 0.00 0.41 0.95 0.00 0.00 175.26 176.31 2pbw n GLY 34 N -0.28 1.75 0.24 -3.83 0.00 -1.26 -0.64 105.19 101.16 2pbw n GLY 34 Ca -0.13 -1.89 -0.02 0.00 0.00 0.00 0.00 46.02 43.97 2pbw n GLY 34 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2pbw h TYR 35 N 0.00 0.60 -0.07 1.61 5.03 -1.06 -1.28 116.97 121.80 2pbw h TYR 35 Ca 0.00 0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.24 2pbw h TYR 35 Cb 0.00 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.09 2pbw h TYR 35 CO 0.00 0.28 -0.38 0.00 -1.32 0.00 0.00 178.16 176.75 2pbw h LEU 37 N 0.12 0.61 -0.34 0.00 -0.00 -1.57 0.48 115.31 114.61 2pbw h LEU 37 Ca 0.01 -0.33 -0.07 0.00 -0.00 0.00 0.00 57.88 57.49 2pbw h LEU 37 Cb 0.72 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 41.20 2pbw h LEU 37 CO 0.05 1.04 -0.06 0.44 -0.00 0.00 0.00 178.44 179.92 2pbw h ASP 38 N 0.42 0.64 -0.04 -0.43 3.45 -0.66 -1.37 116.42 118.43 2pbw h ASP 38 Ca 0.00 -0.35 0.00 0.00 0.43 0.00 0.00 57.03 57.12 2pbw h ASP 38 Cb 1.11 -0.17 -0.00 0.00 -0.56 0.00 0.00 39.33 39.70 2pbw h ASP 38 CO 0.11 0.84 0.03 0.25 -1.57 0.00 0.00 179.24 178.89 2pbw h LEU 39 N 0.43 0.05 -0.70 1.55 5.85 -0.53 -2.02 115.31 119.94 2pbw h LEU 39 Ca 0.09 -0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.87 2pbw h LEU 39 Cb 0.55 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.50 2pbw h LEU 39 CO 0.03 0.06 0.36 0.25 -0.34 0.00 0.00 178.44 178.79 2pbw h LEU 40 N 0.03 0.48 -0.87 2.25 5.85 -0.77 0.23 115.31 122.51 2pbw h LEU 40 Ca 0.01 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 2pbw h LEU 40 Cb 0.02 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 2pbw h LEU 40 CO -0.00 0.28 -0.36 0.07 -0.34 0.00 0.00 178.44 178.09 2pbw h LYS 41 N 0.62 0.00 -0.20 1.25 5.09 -1.08 -0.31 116.57 121.95 2pbw h LYS 41 Ca 0.34 0.00 -0.11 0.00 0.09 0.00 0.00 60.65 60.97 2pbw h LYS 41 Cb 0.33 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.66 2pbw h LYS 41 CO -0.25 0.36 -0.29 0.93 -2.09 0.00 0.00 179.45 178.11 2pbw h GLU 42 N 0.00 0.54 -0.69 0.07 4.39 -0.40 -2.07 114.58 116.42 2pbw h GLU 42 Ca -0.00 -0.32 -0.06 0.00 0.34 0.00 0.00 59.36 59.31 2pbw h GLU 42 Cb 0.92 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.57 2pbw h GLU 42 CO 0.05 0.92 0.18 -0.07 -1.16 0.00 0.00 179.01 178.93 2pbw h LEU 43 N 0.21 1.02 -1.28 1.33 3.38 -0.82 -2.16 115.31 117.00 2pbw h LEU 43 Ca 0.02 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 2pbw h LEU 43 Cb 0.86 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2pbw h LEU 43 CO 0.07 0.97 -0.28 0.77 0.09 0.00 0.00 178.44 180.06 2pbw h SER 44 N 1.04 0.13 -0.10 -0.43 4.64 -0.99 0.40 113.55 118.24 2pbw h SER 44 Ca 0.22 -0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.44 2pbw h SER 44 Cb 0.34 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2pbw h SER 44 CO -0.00 0.41 -0.17 0.78 -0.87 0.00 0.00 176.83 176.98 2pbw h ASN 45 N 0.12 0.32 -0.05 4.97 2.35 -0.95 0.35 115.58 122.69 2pbw h ASN 45 Ca 0.02 -0.54 -0.00 0.00 -0.55 0.00 0.00 56.30 55.22 2pbw h ASN 45 Cb 0.56 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.84 2pbw h ASN 45 CO 0.04 0.81 0.02 0.40 -1.65 0.00 0.00 177.43 177.04 2pbw h ILE 46 N -0.15 1.15 0.00 2.81 2.04 -1.20 -3.20 117.51 118.96 2pbw h ILE 46 Ca 0.01 -0.46 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 2pbw h ILE 46 Cb 0.74 1.37 -0.00 0.00 -0.74 0.00 0.00 36.82 38.20 2pbw h ILE 46 CO 0.04 0.13 -0.46 -0.07 0.00 0.00 0.00 178.15 177.78 2pbw h LEU 47 N -0.10 0.00 -2.61 1.44 4.07 -1.01 -3.49 115.31 113.60 2pbw h LEU 47 Ca 0.02 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.89 2pbw h LEU 47 Cb 0.19 0.00 0.06 0.00 1.08 0.00 0.00 40.66 41.99 2pbw h LEU 47 CO -0.00 0.06 -0.26 0.61 -1.08 0.00 0.00 178.44 177.76 2pbw n GLY 48 N 1.15 0.25 3.19 0.83 0.00 0.12 -5.05 105.19 105.68 2pbw n GLY 48 Ca 0.02 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 2pbw n GLY 48 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2pbw s PHE 49 N -3.12 0.99 0.25 1.61 -0.12 -1.00 -5.04 117.98 111.54 2pbw s PHE 49 Ca 0.11 -0.93 0.06 0.00 -0.05 0.00 0.00 56.93 56.12 2pbw s PHE 49 Cb -0.01 -0.56 -0.03 0.00 -0.63 0.00 0.00 43.02 41.78 2pbw s PHE 49 CO 0.23 -0.15 0.32 -0.51 -0.05 0.00 0.00 175.22 175.06 2pbw s LEU 50 N -3.08 4.13 -0.01 -1.99 1.43 -1.26 -4.78 118.68 113.11 2pbw s LEU 50 Ca 0.15 -0.06 -0.24 0.00 -1.03 0.00 0.00 54.13 52.95 2pbw s LEU 50 Cb 0.05 -2.68 0.05 0.00 0.03 0.00 0.00 46.19 43.64 2pbw s LEU 50 CO -0.02 -0.09 0.52 -0.72 0.23 0.00 0.00 176.35 176.26 2pbw s TYR 51 N -2.05 -0.44 -0.23 0.29 1.13 -1.26 -0.80 117.35 113.99 2pbw s TYR 51 Ca 0.35 0.68 -0.00 0.00 -1.41 0.00 0.00 57.07 56.68 2pbw s TYR 51 Cb -0.09 0.29 0.03 0.00 -1.10 0.00 0.00 41.96 41.09 2pbw s TYR 51 CO 0.28 -0.55 -0.10 -0.51 -2.51 0.00 0.00 175.55 172.16 2pbw s ASP 52 N -1.43 4.06 0.14 -0.18 1.01 -0.24 -4.90 116.67 115.12 2pbw s ASP 52 Ca -0.10 -0.89 -0.30 0.00 0.71 0.00 0.00 52.55 51.97 2pbw s ASP 52 Cb -0.02 -1.61 -0.07 0.00 1.01 0.00 0.00 42.92 42.24 2pbw s ASP 52 CO 0.05 -0.10 1.08 -0.69 0.21 0.00 0.00 175.17 175.72 2pbw s VAL 53 N 1.29 4.08 -0.04 -1.27 1.01 -1.26 -1.20 120.40 123.01 2pbw s VAL 53 Ca 0.00 1.71 -0.02 0.00 0.00 0.00 0.00 61.98 63.67 2pbw s VAL 53 Cb -0.16 -4.09 0.03 0.00 0.00 0.00 0.00 36.38 32.15 2pbw s VAL 53 CO -0.06 0.25 0.06 -0.75 0.00 0.00 0.00 175.10 174.60 2pbw s LYS 54 N 0.00 -0.05 0.25 2.72 2.20 0.57 -4.80 119.74 120.64 2pbw s LYS 54 Ca 0.50 0.36 -0.30 0.00 -0.36 0.00 0.00 55.97 56.17 2pbw s LYS 54 Cb -0.28 -0.51 -0.10 0.00 -1.51 0.00 0.00 37.83 35.43 2pbw s LYS 54 CO 0.33 -0.32 1.43 -0.51 -0.36 0.00 0.00 175.35 175.92 2pbw s LEU 55 N 2.09 4.39 0.10 5.43 1.43 -1.26 -1.96 118.68 128.89 2pbw s LEU 55 Ca 0.04 2.65 -0.31 0.00 -1.03 0.00 0.00 54.13 55.49 2pbw s LEU 55 Cb -0.12 -3.62 -0.10 0.00 0.03 0.00 0.00 46.19 42.37 2pbw s LEU 55 CO -0.03 -0.69 1.88 0.55 0.23 0.00 0.00 176.35 178.30 2pbw n VAL 56 N 2.28 0.49 -0.25 -1.59 3.14 0.03 -4.84 118.33 117.59 2pbw n VAL 56 Ca 0.06 -0.09 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 2pbw n VAL 56 Cb 0.40 -2.19 0.07 0.00 -1.06 0.00 0.00 33.84 31.06 2pbw n VAL 56 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 2pbw h PRO 57 N 9.17 -0.03 -0.01 1.45 0.11 -1.91 -1.28 132.00 139.50 2pbw h PRO 57 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2pbw h PRO 57 Cb 1.23 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2pbw h PRO 57 CO 0.95 -0.02 -0.02 -0.40 -0.21 0.00 0.00 178.00 178.29 2pbw n ASP 58 N -5.48 0.60 -1.85 -2.05 5.75 -1.26 -4.94 116.55 107.33 2pbw n ASP 58 Ca 0.09 -1.06 -0.17 0.00 -0.01 0.00 0.00 54.79 53.63 2pbw n ASP 58 Cb 0.37 -0.02 -0.02 0.00 -1.03 0.00 0.00 41.12 40.42 2pbw n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2pbw n GLY 59 N 1.12 0.11 3.42 6.12 0.00 -0.49 -4.99 105.19 110.48 2pbw n GLY 59 Ca 0.20 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 2pbw n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pbw s LYS 60 N -4.56 1.50 -0.04 1.61 1.02 -1.26 -5.04 119.74 112.96 2pbw s LYS 60 Ca 0.00 -1.34 -0.26 0.00 0.02 0.00 0.00 55.97 54.39 2pbw s LYS 60 Cb 0.00 -1.94 -0.21 0.00 -0.52 0.00 0.00 37.83 35.16 2pbw s LYS 60 CO 0.00 0.45 1.16 1.88 -0.92 0.00 0.00 175.35 177.92 2pbw h TYR 61 N 3.75 -0.02 0.00 3.18 -1.99 -1.93 -1.98 116.97 117.98 2pbw h TYR 61 Ca -0.50 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.23 2pbw h TYR 61 Cb 1.17 0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.91 2pbw h TYR 61 CO 0.61 0.55 0.00 0.41 -0.00 0.00 0.00 178.16 179.73 2pbw n GLY 62 N 0.46 2.95 3.19 3.88 0.00 -1.26 -1.55 105.19 112.85 2pbw n GLY 62 Ca -0.09 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 2pbw n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pbw s ALA 63 N 0.00 0.87 -0.05 4.61 0.00 -1.26 -4.91 121.76 121.02 2pbw s ALA 63 Ca 0.00 -1.48 0.03 0.00 0.00 0.00 0.00 51.96 50.51 2pbw s ALA 63 Cb 0.00 1.02 -0.03 0.00 0.00 0.00 0.00 23.12 24.11 2pbw s ALA 63 CO 0.00 -0.54 -0.12 1.14 0.00 0.00 0.00 175.76 176.24 2pbw s GLN 64 N -4.07 2.55 0.93 0.00 -2.07 -1.26 -2.25 119.66 113.48 2pbw s GLN 64 Ca 0.28 -0.67 -0.16 0.00 -1.82 0.00 0.00 55.36 52.99 2pbw s GLN 64 Cb 0.07 -2.42 0.21 0.00 -1.09 0.00 0.00 33.01 29.78 2pbw s GLN 64 CO 0.05 0.63 1.23 0.27 -1.32 0.00 0.00 175.29 176.15 2pbw n ASN 65 N 2.24 -0.02 0.16 12.60 0.23 0.52 -4.84 115.26 126.15 2pbw n ASN 65 Ca -0.17 -1.43 0.15 0.00 -0.53 0.00 0.00 54.58 52.60 2pbw n ASN 65 Cb 0.52 -0.95 0.72 0.00 -2.08 0.00 0.00 39.78 38.00 2pbw n ASN 65 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 2pbw h ASP 66 N -1.69 0.00 0.10 0.53 3.32 -2.00 0.84 116.42 117.52 2pbw h ASP 66 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 2pbw h ASP 66 Cb 1.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.66 2pbw h ASP 66 CO 0.28 0.00 -0.04 0.29 -1.72 0.00 0.00 179.24 178.05 2pbw n LYS 67 N -4.26 1.19 -0.61 3.56 5.02 -1.26 -4.90 118.16 116.90 2pbw n LYS 67 Ca 0.02 -0.49 0.00 0.00 -2.02 0.00 0.00 58.31 55.82 2pbw n LYS 67 Cb 0.32 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 2pbw n LYS 67 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pbw n GLY 68 N 1.16 0.63 3.79 0.72 0.00 0.29 -5.06 105.19 106.71 2pbw n GLY 68 Ca 0.19 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 2pbw n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pbw s GLU 69 N -1.19 4.22 0.15 1.61 2.02 -1.25 -4.79 118.70 119.46 2pbw s GLU 69 Ca 0.00 0.66 -0.00 0.00 0.02 0.00 0.00 54.97 55.65 2pbw s GLU 69 Cb 0.00 -3.30 -0.04 0.00 0.10 0.00 0.00 34.13 30.89 2pbw s GLU 69 CO 0.00 0.49 0.33 -1.58 0.02 0.00 0.00 175.26 174.51 2pbw s TRP 70 N -0.56 3.49 0.04 1.61 0.52 -1.26 -0.35 118.94 122.43 2pbw s TRP 70 Ca 0.29 0.29 0.00 0.00 0.02 0.00 0.00 56.10 56.70 2pbw s TRP 70 Cb -0.18 -1.80 -0.00 0.00 -1.15 0.00 0.00 33.47 30.34 2pbw s TRP 70 CO 0.17 0.46 0.01 0.27 0.02 0.00 0.00 176.95 177.88 2pbw n ASN 71 N -0.36 1.30 0.00 2.95 0.23 -0.96 -4.70 115.26 113.74 2pbw n ASN 71 Ca -0.05 -1.22 0.00 0.00 -0.53 0.00 0.00 54.58 52.78 2pbw n ASN 71 Cb 0.53 0.08 0.00 0.00 -2.08 0.00 0.00 39.78 38.31 2pbw n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2pbw n GLY 72 N 2.72 0.88 0.33 4.83 0.00 -1.26 -1.71 105.19 110.98 2pbw n GLY 72 Ca -0.01 -0.73 0.05 0.00 0.00 0.00 0.00 46.02 45.34 2pbw n GLY 72 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2pbw h MET 73 N 0.00 0.85 -0.64 1.61 2.86 -0.48 -0.36 114.93 118.78 2pbw h MET 73 Ca 0.00 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.63 2pbw h MET 73 Cb 0.00 -0.19 -0.05 0.00 0.06 0.00 0.00 31.60 31.42 2pbw h MET 73 CO 0.00 0.56 0.37 0.28 1.06 0.00 0.00 176.91 179.18 2pbw h VAL 74 N 0.88 1.01 -0.47 -2.22 2.07 -1.46 -1.28 116.25 114.79 2pbw h VAL 74 Ca 0.45 -0.24 -0.09 0.00 0.82 0.00 0.00 66.70 67.64 2pbw h VAL 74 Cb 0.45 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 2pbw h VAL 74 CO -0.27 0.13 -0.07 0.50 0.02 0.00 0.00 177.57 177.88 2pbw h LYS 75 N 0.70 0.82 -0.74 1.57 1.63 -0.25 -1.09 116.57 119.21 2pbw h LYS 75 Ca 0.27 -0.26 0.02 0.00 -0.85 0.00 0.00 60.65 59.84 2pbw h LYS 75 Cb 0.11 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.62 2pbw h LYS 75 CO -0.15 0.87 0.47 0.93 -3.45 0.00 0.00 179.45 178.13 2pbw h GLU 76 N 0.75 0.91 -0.28 1.90 4.39 -0.19 -1.33 114.58 120.73 2pbw h GLU 76 Ca 0.13 -0.05 -0.08 0.00 0.34 0.00 0.00 59.36 59.70 2pbw h GLU 76 Cb 0.56 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 2pbw h GLU 76 CO 0.03 0.60 -0.14 -0.07 -1.16 0.00 0.00 179.01 178.28 2pbw h LEU 77 N 0.94 0.60 -1.05 1.33 3.38 -0.93 0.36 115.31 119.94 2pbw h LEU 77 Ca 0.29 -0.41 0.05 0.00 0.09 0.00 0.00 57.88 57.90 2pbw h LEU 77 Cb -0.02 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 2pbw h LEU 77 CO -0.10 0.88 0.64 0.40 0.09 0.00 0.00 178.44 180.35 2pbw h ILE 78 N 0.32 1.12 -0.29 1.22 2.04 -0.78 -1.21 117.51 119.93 2pbw h ILE 78 Ca 0.06 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2pbw h ILE 78 Cb 0.65 -0.17 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 2pbw h ILE 78 CO 0.04 0.22 0.00 0.47 0.00 0.00 0.00 178.15 178.88 2pbw n ASP 79 N -4.47 1.71 -3.12 1.72 8.00 -0.54 -4.92 116.55 114.92 2pbw n ASP 79 Ca 0.14 -1.92 -0.23 0.00 0.71 0.00 0.00 54.79 53.49 2pbw n ASP 79 Cb 0.15 -0.19 0.04 0.00 -0.02 0.00 0.00 41.12 41.10 2pbw n ASP 79 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2pbw n HIS 80 N 0.41 -2.14 1.13 1.24 8.25 -0.46 -4.87 115.22 118.79 2pbw n HIS 80 Ca 0.12 0.61 0.12 0.00 -0.26 0.00 0.00 57.72 58.32 2pbw n HIS 80 Cb 0.29 -4.61 0.26 0.00 1.12 0.00 0.00 29.99 27.05 2pbw n HIS 80 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2pbw n ARG 81 N -4.22 0.60 -3.79 -0.41 1.74 0.09 -4.88 116.66 105.80 2pbw n ARG 81 Ca -0.09 -0.39 -0.12 0.00 -0.77 0.00 0.00 57.85 56.47 2pbw n ARG 81 Cb 0.61 -1.49 -0.09 0.00 -1.02 0.00 0.00 32.46 30.47 2pbw n ARG 81 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2pbw s ALA 82 N -2.67 -0.64 -0.13 7.54 0.00 -1.20 -4.92 121.76 119.74 2pbw s ALA 82 Ca 0.19 0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.32 2pbw s ALA 82 Cb 0.18 0.13 -0.24 0.00 0.00 0.00 0.00 23.12 23.20 2pbw s ALA 82 CO 0.60 -0.28 0.33 -0.25 0.00 0.00 0.00 175.76 176.16 2pbw n ASP 83 N 1.16 1.47 -4.16 0.00 8.00 0.26 -4.58 116.55 118.70 2pbw n ASP 83 Ca -0.21 0.20 -0.12 0.00 0.71 0.00 0.00 54.79 55.37 2pbw n ASP 83 Cb 0.57 -0.33 -0.10 0.00 -0.02 0.00 0.00 41.12 41.23 2pbw n ASP 83 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2pbw s LEU 84 N -6.49 2.47 -0.19 0.64 1.43 -1.09 -4.19 118.68 111.25 2pbw s LEU 84 Ca -0.17 -0.92 -0.01 0.00 -1.03 0.00 0.00 54.13 52.00 2pbw s LEU 84 Cb 0.07 -0.13 0.05 0.00 0.03 0.00 0.00 46.19 46.21 2pbw s LEU 84 CO 0.77 -0.40 -0.04 0.00 0.23 0.00 0.00 176.35 176.92 2pbw s ALA 85 N -3.16 1.54 -0.29 4.21 0.00 0.94 -0.92 121.76 124.08 2pbw s ALA 85 Ca 0.08 -0.97 0.03 0.00 0.00 0.00 0.00 51.96 51.11 2pbw s ALA 85 Cb 0.02 -1.23 0.07 0.00 0.00 0.00 0.00 23.12 21.98 2pbw s ALA 85 CO -0.03 -0.98 -0.05 0.08 0.00 0.00 0.00 175.76 174.78 2pbw s VAL 86 N 1.60 2.31 -0.01 0.00 1.01 -1.10 -0.32 120.40 123.89 2pbw s VAL 86 Ca -0.02 -1.82 -0.29 0.00 0.00 0.00 0.00 61.98 59.85 2pbw s VAL 86 Cb -0.17 -2.46 0.11 0.00 0.00 0.00 0.00 36.38 33.86 2pbw s VAL 86 CO -0.07 -0.21 1.28 0.00 0.00 0.00 0.00 175.10 176.10 2pbw s ALA 87 N 1.06 -2.29 -0.90 5.51 0.00 -1.26 -4.60 121.76 119.27 2pbw s ALA 87 Ca -0.03 0.45 -0.08 0.00 0.00 0.00 0.00 51.96 52.29 2pbw s ALA 87 Cb -0.20 0.55 -0.07 0.00 0.00 0.00 0.00 23.12 23.40 2pbw s ALA 87 CO -0.05 -1.09 2.08 -0.35 0.00 0.00 0.00 175.76 176.35 2pbw n PRO 88 N -0.63 2.00 -2.91 0.00 -0.04 -1.26 -4.67 135.00 127.49 2pbw n PRO 88 Ca -0.04 -1.54 -0.43 0.00 -0.04 0.00 0.00 63.50 61.45 2pbw n PRO 88 Cb 0.61 -2.54 -0.04 0.00 -0.04 0.00 0.00 33.50 31.49 2pbw n PRO 88 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2pbw s LEU 89 N 0.30 4.50 0.20 1.53 2.96 -1.26 -5.01 118.68 121.89 2pbw s LEU 89 Ca 0.42 -0.91 -0.33 0.00 -0.22 0.00 0.00 54.13 53.10 2pbw s LEU 89 Cb 0.11 -2.48 -0.13 0.00 0.50 0.00 0.00 46.19 44.19 2pbw s LEU 89 CO -0.01 -1.31 1.64 0.41 -1.32 0.00 0.00 176.35 175.76 2pbw n THR 90 N 5.90 0.13 -2.42 3.68 -1.04 -1.26 -3.07 114.28 116.21 2pbw n THR 90 Ca -0.04 -0.03 -0.43 0.00 -2.04 0.00 0.00 64.05 61.51 2pbw n THR 90 Cb 0.45 -1.79 -0.02 0.00 -1.82 0.00 0.00 70.33 67.15 2pbw n THR 90 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2pbw s ILE 91 N 0.91 3.93 0.23 12.58 1.01 -0.25 -4.94 121.20 134.68 2pbw s ILE 91 Ca 0.75 0.91 0.09 0.00 0.00 0.00 0.00 60.65 62.40 2pbw s ILE 91 Cb -0.58 -4.37 -0.05 0.00 0.01 0.00 0.00 42.46 37.47 2pbw s ILE 91 CO 0.37 -0.95 -0.16 0.42 0.00 0.00 0.00 174.94 174.61 2pbw s THR 92 N 5.41 2.00 0.13 2.92 -4.23 -1.26 -4.65 115.64 115.95 2pbw s THR 92 Ca 0.55 -2.28 -0.24 0.00 -1.18 0.00 0.00 61.69 58.54 2pbw s THR 92 Cb -0.11 -2.15 -0.04 0.00 1.34 0.00 0.00 72.50 71.54 2pbw s THR 92 CO 0.30 -0.52 1.65 0.22 -0.54 0.00 0.00 174.62 175.73 2pbw h TYR 93 N 2.45 -0.55 -0.45 3.99 3.20 -1.99 0.73 116.97 124.35 2pbw h TYR 93 Ca -0.39 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.47 2pbw h TYR 93 Cb 1.23 0.25 -0.02 0.00 1.54 0.00 0.00 36.73 39.73 2pbw h TYR 93 CO 0.75 -0.29 0.16 -0.24 -1.64 0.00 0.00 178.16 176.89 2pbw h VAL 94 N -0.31 1.18 0.19 1.81 3.04 -1.99 -3.04 116.25 117.12 2pbw h VAL 94 Ca 0.07 -0.58 -0.31 0.00 -1.01 0.00 0.00 66.70 64.86 2pbw h VAL 94 Cb 0.41 0.67 0.03 0.00 -2.01 0.00 0.00 31.29 30.40 2pbw h VAL 94 CO -0.23 0.22 -1.35 0.03 -1.01 0.00 0.00 177.57 175.24 2pbw h ARG 95 N 0.64 0.58 0.00 4.17 3.08 -1.84 -3.29 114.38 117.72 2pbw h ARG 95 Ca 0.15 -0.88 0.00 0.00 0.07 0.00 0.00 59.98 59.33 2pbw h ARG 95 Cb 0.17 0.31 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2pbw h ARG 95 CO -0.01 1.41 0.00 1.49 -1.07 0.00 0.00 179.97 181.79 2pbw h GLU 96 N 0.19 0.00 0.00 0.04 4.57 -0.76 -1.10 114.58 117.53 2pbw h GLU 96 Ca -0.22 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 57.85 2pbw h GLU 96 Cb 2.03 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 30.61 2pbw h GLU 96 CO 0.26 0.00 -0.51 0.87 -1.18 0.00 0.00 179.01 178.45 2pbw h LYS 97 N 0.00 0.00 0.00 1.92 1.57 -1.60 -3.35 116.57 115.11 2pbw h LYS 97 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2pbw h LYS 97 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2pbw h LYS 97 CO 0.00 0.51 -0.71 1.33 -0.57 0.00 0.00 179.45 180.01 2pbw n VAL 98 N -3.26 0.00 -3.95 0.50 0.24 -0.46 -5.02 118.33 106.37 2pbw n VAL 98 Ca 0.02 -0.18 -0.09 0.00 -2.04 0.00 0.00 64.34 62.05 2pbw n VAL 98 Cb 0.72 0.95 -0.08 0.00 -1.47 0.00 0.00 33.84 33.96 2pbw n VAL 98 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 2pbw s ILE 99 N -2.34 0.14 -0.17 1.34 -4.36 -0.91 -4.49 121.20 110.41 2pbw s ILE 99 Ca 0.05 -1.42 -0.12 0.00 -0.26 0.00 0.00 60.65 58.90 2pbw s ILE 99 Cb 0.10 -1.53 -0.05 0.00 1.25 0.00 0.00 42.46 42.24 2pbw s ILE 99 CO 0.57 -0.65 0.22 -1.81 0.24 0.00 0.00 174.94 173.51 2pbw s ASP 100 N -2.91 6.35 0.06 4.36 1.01 -0.08 -4.43 116.67 121.02 2pbw s ASP 100 Ca 0.09 0.40 0.02 0.00 0.71 0.00 0.00 52.55 53.77 2pbw s ASP 100 Cb 0.06 -2.14 -0.04 0.00 1.01 0.00 0.00 42.92 41.80 2pbw s ASP 100 CO -0.08 0.14 0.08 -0.36 0.21 0.00 0.00 175.17 175.16 2pbw s PHE 101 N 0.37 3.21 0.80 4.23 0.08 -1.26 -0.85 117.98 124.56 2pbw s PHE 101 Ca 0.13 0.10 -0.09 0.00 0.12 0.00 0.00 56.93 57.19 2pbw s PHE 101 Cb -0.12 -1.65 0.12 0.00 -0.57 0.00 0.00 43.02 40.80 2pbw s PHE 101 CO 0.02 0.53 1.13 -1.54 -0.10 0.00 0.00 175.22 175.25 2pbw s SER 102 N -2.24 4.16 0.68 1.36 1.04 -0.69 -4.98 113.70 113.04 2pbw s SER 102 Ca 0.28 0.30 -0.16 0.00 0.48 0.00 0.00 55.95 56.85 2pbw s SER 102 Cb -0.12 -0.69 0.01 0.00 0.10 0.00 0.00 66.02 65.31 2pbw s SER 102 CO 0.20 -2.04 1.18 -0.54 0.98 0.00 0.00 173.24 173.02 2pbw s LYS 103 N -5.47 2.53 0.40 4.02 -0.14 -1.26 -4.57 119.74 115.25 2pbw s LYS 103 Ca 0.66 1.67 -0.27 0.00 -1.36 0.00 0.00 55.97 56.67 2pbw s LYS 103 Cb -0.08 -1.89 -0.10 0.00 -1.68 0.00 0.00 37.83 34.08 2pbw s LYS 103 CO 0.48 -1.51 1.42 -0.35 -0.76 0.00 0.00 175.35 174.63 2pbw n PRO 104 N -2.34 2.39 0.00 -1.68 -0.04 -1.26 -4.61 135.00 127.46 2pbw n PRO 104 Ca 0.13 0.84 0.09 0.00 -0.04 0.00 0.00 63.50 64.52 2pbw n PRO 104 Cb 0.51 -2.58 0.04 0.00 -0.04 0.00 0.00 33.50 31.42 2pbw n PRO 104 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 2pbw n PHE 105 N 0.14 0.00 -3.64 0.54 1.16 0.34 -4.91 117.46 111.10 2pbw n PHE 105 Ca 0.04 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.53 2pbw n PHE 105 Cb 0.39 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.19 2pbw n PHE 105 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 2pbw s MET 106 N -1.82 0.72 0.07 3.97 0.00 -1.24 -5.00 119.30 116.00 2pbw s MET 106 Ca 0.18 1.19 0.04 0.00 0.00 0.00 0.00 55.69 57.10 2pbw s MET 106 Cb 0.15 0.18 -0.04 0.00 0.00 0.00 0.00 34.83 35.12 2pbw s MET 106 CO 0.35 -0.14 -0.02 0.95 0.00 0.00 0.00 175.02 176.16 2pbw s THR 107 N 1.45 3.94 0.00 10.11 -4.23 -1.26 -0.80 115.64 124.85 2pbw s THR 107 Ca -0.09 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 2pbw s THR 107 Cb -0.05 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 70.94 2pbw s THR 107 CO -0.17 0.17 0.00 0.00 -0.54 0.00 0.00 174.62 174.09 2pbw n LEU 108 N 0.76 0.00 -3.86 4.79 -0.00 0.13 -4.91 117.00 113.92 2pbw n LEU 108 Ca -0.12 0.00 -0.07 0.00 -0.00 0.00 0.00 56.01 55.82 2pbw n LEU 108 Cb 0.52 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.92 2pbw n LEU 108 CO 0.37 0.00 0.43 -0.83 -0.00 0.00 0.00 177.39 177.36 2pbw s GLY 109 N -0.79 -0.04 -0.02 1.47 0.00 -1.26 0.21 107.32 106.90 2pbw s GLY 109 Ca 0.00 -0.35 -0.27 0.00 0.00 0.00 0.00 44.72 44.11 2pbw s GLY 109 CO 0.00 -0.15 0.83 -0.42 0.00 0.00 0.00 173.10 173.36 2pbw s ILE 110 N -3.92 4.91 0.01 0.90 1.01 -1.25 0.61 121.20 123.46 2pbw s ILE 110 Ca 0.12 1.74 0.00 0.00 0.00 0.00 0.00 60.65 62.51 2pbw s ILE 110 Cb -0.05 -4.17 -0.00 0.00 0.01 0.00 0.00 42.46 38.24 2pbw s ILE 110 CO 0.06 0.24 0.01 -0.24 0.00 0.00 0.00 174.94 175.01 2pbw n SER 111 N 3.64 -0.03 -4.23 3.58 2.88 0.33 -1.12 113.62 118.66 2pbw n SER 111 Ca 0.02 -1.09 -0.33 0.00 -1.33 0.00 0.00 58.87 56.14 2pbw n SER 111 Cb 0.51 0.07 -0.16 0.00 -0.75 0.00 0.00 64.21 63.88 2pbw n SER 111 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2pbw s ILE 112 N -2.13 2.41 -0.25 2.46 1.01 -1.24 -0.88 121.20 122.58 2pbw s ILE 112 Ca 0.02 -0.87 -0.10 0.00 0.00 0.00 0.00 60.65 59.70 2pbw s ILE 112 Cb 0.00 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 2pbw s ILE 112 CO 0.01 0.53 0.14 -0.22 0.00 0.00 0.00 174.94 175.41 2pbw s LEU 113 N 0.72 3.91 0.35 2.97 2.96 0.18 0.08 118.68 129.85 2pbw s LEU 113 Ca -0.08 -0.00 -0.03 0.00 -0.22 0.00 0.00 54.13 53.80 2pbw s LEU 113 Cb -0.16 -2.06 0.00 0.00 0.50 0.00 0.00 46.19 44.48 2pbw s LEU 113 CO 0.01 0.01 0.48 -0.47 -1.32 0.00 0.00 176.35 175.06 2pbw s TYR 114 N 1.37 1.05 0.46 5.38 5.04 -0.94 -0.96 117.35 128.75 2pbw s TYR 114 Ca 0.07 -1.28 -0.04 0.00 -2.44 0.00 0.00 57.07 53.37 2pbw s TYR 114 Cb -0.15 -0.06 -0.04 0.00 0.35 0.00 0.00 41.96 42.06 2pbw s TYR 114 CO 0.06 -1.15 0.75 -0.98 -1.34 0.00 0.00 175.55 172.89 2pbw s ARG 115 N -3.03 3.52 0.85 4.97 1.70 -1.26 -1.38 118.95 124.32 2pbw s ARG 115 Ca 0.30 0.10 -0.11 0.00 -0.47 0.00 0.00 55.73 55.55 2pbw s ARG 115 Cb -0.01 -2.42 0.10 0.00 -0.57 0.00 0.00 34.95 32.05 2pbw s ARG 115 CO 0.20 -0.15 1.09 0.15 -1.08 0.00 0.00 175.30 175.51 2pbw s LYS 116 N -4.67 1.60 -1.14 3.89 1.02 0.11 -4.36 119.74 116.19 2pbw s LYS 116 Ca 0.46 0.76 -0.03 0.00 0.02 0.00 0.00 55.97 57.19 2pbw s LYS 116 Cb -0.10 -1.85 0.00 0.00 -0.52 0.00 0.00 37.83 35.36 2pbw s LYS 116 CO 0.43 -1.99 0.36 0.41 -0.92 0.00 0.00 175.35 173.64 2pbw n GLY 117 N -1.50 -0.18 3.43 -3.33 0.00 -1.26 -5.04 105.19 97.30 2pbw n GLY 117 Ca 0.07 -0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 2pbw n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pbw s THR 118 N -2.95 2.33 -0.12 2.61 -4.23 -1.26 -5.03 115.64 106.99 2pbw s THR 118 Ca 0.18 -2.23 0.30 0.00 -1.18 0.00 0.00 61.69 58.75 2pbw s THR 118 Cb -0.08 -2.19 0.34 0.00 1.34 0.00 0.00 72.50 71.91 2pbw s THR 118 CO 0.22 -0.32 1.88 1.55 -0.54 0.00 0.00 174.62 177.42 2pbw h PRO 119 N 2.67 0.00 -6.76 3.99 0.13 -1.96 -3.45 132.00 126.62 2pbw h PRO 119 Ca -0.42 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.18 2pbw h PRO 119 Cb 1.24 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.44 2pbw h PRO 119 CO 0.56 0.00 0.86 0.42 -0.23 0.00 0.00 178.00 179.60 2pbw s ILE 120 N -3.54 2.28 0.00 -3.56 -1.09 -1.26 -4.90 121.20 109.13 2pbw s ILE 120 Ca 0.02 0.23 0.00 0.00 -2.23 0.00 0.00 60.65 58.67 2pbw s ILE 120 Cb 0.09 -3.15 0.00 0.00 -1.58 0.00 0.00 42.46 37.83 2pbw s ILE 120 CO 0.49 0.03 0.07 -0.67 -1.23 0.00 0.00 174.94 173.63 2pbw n ASP 121 N 2.46 0.00 -3.61 3.58 2.03 -1.26 -4.91 116.55 114.83 2pbw n ASP 121 Ca 0.09 -1.00 -0.10 0.00 0.52 0.00 0.00 54.79 54.30 2pbw n ASP 121 Cb 0.38 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.76 2pbw n ASP 121 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2pbw s SER 122 N 0.00 -0.43 0.53 1.67 1.04 -1.26 -3.31 113.70 111.94 2pbw s SER 122 Ca 0.00 -0.25 0.26 0.00 0.48 0.00 0.00 55.95 56.44 2pbw s SER 122 Cb 0.00 0.64 1.49 0.00 0.10 0.00 0.00 66.02 68.25 2pbw s SER 122 CO 0.00 -1.10 2.11 0.00 0.98 0.00 0.00 173.24 175.23 2pbw h ALA 123 N 2.00 1.41 -0.27 5.32 0.00 -1.97 -1.56 119.26 124.19 2pbw h ALA 123 Ca -0.27 -0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.39 2pbw h ALA 123 Cb 1.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2pbw h ALA 123 CO 0.31 0.12 -0.47 0.22 0.00 0.00 0.00 179.25 179.43 2pbw h ASP 124 N 0.00 0.88 -0.96 0.00 3.58 -1.95 -1.73 116.42 116.23 2pbw h ASP 124 Ca -0.00 -0.53 0.06 0.00 0.42 0.00 0.00 57.03 56.98 2pbw h ASP 124 Cb 0.24 -0.25 -0.06 0.00 1.72 0.00 0.00 39.33 40.98 2pbw h ASP 124 CO 0.01 1.24 0.63 0.44 -2.88 0.00 0.00 179.24 178.68 2pbw h ASP 125 N 0.54 0.99 -0.26 2.28 3.32 -1.68 -2.07 116.42 119.54 2pbw h ASP 125 Ca 0.02 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 2pbw h ASP 125 Cb 1.07 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 2pbw h ASP 125 CO 0.11 0.63 -0.21 -0.07 -1.72 0.00 0.00 179.24 177.98 2pbw h LEU 126 N 1.12 0.64 -1.59 1.55 3.38 -1.38 -3.22 115.31 115.81 2pbw h LEU 126 Ca 0.41 -0.45 0.02 0.00 0.09 0.00 0.00 57.88 57.95 2pbw h LEU 126 Cb 0.18 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2pbw h LEU 126 CO -0.16 0.96 0.30 0.00 0.09 0.00 0.00 178.44 179.63 2pbw h ALA 127 N 0.70 1.74 0.00 1.53 0.00 -0.69 -2.67 119.26 119.87 2pbw h ALA 127 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2pbw h ALA 127 Cb 0.76 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2pbw h ALA 127 CO 0.06 0.23 0.00 1.63 0.00 0.00 0.00 179.25 181.16 2pbw n LYS 128 N -4.47 0.15 -4.15 0.00 5.02 -0.84 -4.88 118.16 108.98 2pbw n LYS 128 Ca 0.04 0.11 -0.22 0.00 -2.02 0.00 0.00 58.31 56.22 2pbw n LYS 128 Cb 0.10 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.54 2pbw n LYS 128 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pbw n GLN 129 N -1.39 0.54 0.00 1.97 -0.00 -1.01 -5.07 117.38 112.42 2pbw n GLN 129 Ca 0.08 -3.13 0.00 0.00 -0.00 0.00 0.00 57.00 53.95 2pbw n GLN 129 Cb 0.21 1.94 0.00 0.00 -0.00 0.00 0.00 30.24 32.39 2pbw n GLN 129 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 2pbw n THR 130 N -0.77 0.00 0.14 -0.39 -2.24 -1.26 -4.85 114.28 104.91 2pbw n THR 130 Ca -0.02 -0.04 -0.14 0.00 -2.27 0.00 0.00 64.05 61.58 2pbw n THR 130 Cb 0.56 1.70 -0.08 0.00 -2.10 0.00 0.00 70.33 70.40 2pbw n THR 130 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2pbw h LYS 131 N 0.00 -0.33 -5.98 -0.78 1.79 -1.97 -3.40 116.57 105.90 2pbw h LYS 131 Ca 0.00 0.02 -0.58 0.00 -2.18 0.00 0.00 60.65 57.91 2pbw h LYS 131 Cb 0.35 0.07 -0.07 0.00 -1.58 0.00 0.00 32.23 31.00 2pbw h LYS 131 CO 0.00 -0.04 0.65 0.42 -1.08 0.00 0.00 179.45 179.40 2pbw s ILE 132 N -5.04 4.75 0.37 1.86 1.01 -1.26 -5.02 121.20 117.87 2pbw s ILE 132 Ca -0.15 1.85 -0.17 0.00 0.00 0.00 0.00 60.65 62.18 2pbw s ILE 132 Cb 0.03 -4.23 -0.10 0.00 0.01 0.00 0.00 42.46 38.17 2pbw s ILE 132 CO 0.59 -0.12 0.83 -0.70 0.00 0.00 0.00 174.94 175.54 2pbw s GLU 133 N 2.94 4.09 0.00 2.79 2.12 -1.04 -4.93 118.70 124.68 2pbw s GLU 133 Ca 0.41 0.86 -0.18 0.00 0.36 0.00 0.00 54.97 56.41 2pbw s GLU 133 Cb -0.15 -2.32 0.03 0.00 0.26 0.00 0.00 34.13 31.95 2pbw s GLU 133 CO 0.08 0.07 0.40 1.52 -0.54 0.00 0.00 175.26 176.78 2pbw s TYR 134 N -2.08 -0.27 0.00 5.30 -0.85 -1.26 -0.64 117.35 117.55 2pbw s TYR 134 Ca 0.57 0.37 0.00 0.00 -0.52 0.00 0.00 57.07 57.49 2pbw s TYR 134 Cb -0.10 0.18 0.00 0.00 0.38 0.00 0.00 41.96 42.42 2pbw s TYR 134 CO 0.16 -0.48 0.00 0.41 -1.52 0.00 0.00 175.55 174.12 2pbw n GLY 135 N 0.95 2.00 3.57 5.49 0.00 -0.87 -4.64 105.19 111.70 2pbw n GLY 135 Ca -0.20 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 2pbw n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pbw s ALA 136 N -1.00 0.32 0.03 4.61 0.00 -1.26 -0.54 121.76 123.92 2pbw s ALA 136 Ca 0.00 -1.28 -0.30 0.00 0.00 0.00 0.00 51.96 50.38 2pbw s ALA 136 Cb 0.00 1.04 -0.06 0.00 0.00 0.00 0.00 23.12 24.09 2pbw s ALA 136 CO 0.00 -0.84 1.44 0.08 0.00 0.00 0.00 175.76 176.44 2pbw s VAL 137 N -2.98 3.52 0.16 0.00 1.01 -1.26 -1.73 120.40 119.13 2pbw s VAL 137 Ca 0.26 0.96 -0.32 0.00 0.00 0.00 0.00 61.98 62.89 2pbw s VAL 137 Cb -0.02 -3.62 -0.11 0.00 0.00 0.00 0.00 36.38 32.64 2pbw s VAL 137 CO 0.17 0.01 1.74 -0.60 0.00 0.00 0.00 175.10 176.42 2pbw s ARG 138 N 2.19 4.14 0.00 2.72 3.52 0.15 -2.18 118.95 129.49 2pbw s ARG 138 Ca 0.66 2.56 0.00 0.00 -0.13 0.00 0.00 55.73 58.81 2pbw s ARG 138 Cb -0.34 -3.30 0.00 0.00 -1.56 0.00 0.00 34.95 29.76 2pbw s ARG 138 CO 0.28 -0.77 0.00 -0.25 -0.81 0.00 0.00 175.30 173.76 2pbw n ASP 139 N 4.67 -2.66 -4.77 -2.12 8.00 -1.26 -4.97 116.55 113.44 2pbw n ASP 139 Ca 0.16 0.00 -0.28 0.00 0.71 0.00 0.00 54.79 55.38 2pbw n ASP 139 Cb 0.37 -1.25 0.10 0.00 -0.02 0.00 0.00 41.12 40.32 2pbw n ASP 139 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2pbw s GLY 140 N -2.00 1.65 0.43 0.44 0.00 -0.93 -4.87 107.32 102.03 2pbw s GLY 140 Ca 0.00 -0.82 0.10 0.00 0.00 0.00 0.00 44.72 44.00 2pbw s GLY 140 CO 0.00 -0.30 2.01 1.76 0.00 0.00 0.00 173.10 176.58 2pbw h SER 141 N -1.06 0.24 -0.19 1.64 0.02 -1.95 -2.19 113.55 110.06 2pbw h SER 141 Ca -0.45 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.45 2pbw h SER 141 Cb 1.31 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 2pbw h SER 141 CO 0.59 0.28 0.04 0.74 -1.14 0.00 0.00 176.83 177.35 2pbw h THR 142 N 0.27 1.21 -0.24 -2.27 2.02 -1.92 -1.22 112.91 110.75 2pbw h THR 142 Ca 0.06 -0.66 0.01 0.00 0.77 0.00 0.00 66.41 66.59 2pbw h THR 142 Cb 0.15 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 2pbw h THR 142 CO 0.00 0.20 0.13 -0.03 0.37 0.00 0.00 175.52 176.19 2pbw h MET 143 N 0.11 0.26 -0.99 6.66 -1.53 -1.68 -1.96 114.93 115.79 2pbw h MET 143 Ca 0.06 -0.02 0.12 0.00 -3.44 0.00 0.00 59.70 56.42 2pbw h MET 143 Cb 0.27 -0.06 -0.08 0.00 -0.55 0.00 0.00 31.60 31.18 2pbw h MET 143 CO 0.00 0.17 0.62 1.15 0.14 0.00 0.00 176.91 179.00 2pbw h THR 144 N 0.27 0.92 -0.15 -0.77 2.02 -1.25 0.11 112.91 114.07 2pbw h THR 144 Ca 0.10 -0.34 0.04 0.00 0.77 0.00 0.00 66.41 66.98 2pbw h THR 144 Cb 0.01 -0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 66.23 2pbw h THR 144 CO -0.06 0.18 -0.13 0.15 0.37 0.00 0.00 175.52 176.04 2pbw h PHE 145 N 0.99 -0.32 -0.19 3.16 3.57 -0.44 -0.90 116.94 122.81 2pbw h PHE 145 Ca 0.49 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.93 2pbw h PHE 145 Cb 0.48 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 2pbw h PHE 145 CO -0.01 -0.19 -0.24 0.74 -2.23 0.00 0.00 178.31 176.39 2pbw h PHE 146 N -0.14 0.37 -0.62 0.41 0.04 -0.99 -1.40 116.94 114.60 2pbw h PHE 146 Ca 0.10 -0.07 -0.09 0.00 2.80 0.00 0.00 57.97 60.70 2pbw h PHE 146 Cb 0.29 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 2pbw h PHE 146 CO -0.26 0.55 0.02 -0.22 -0.60 0.00 0.00 178.31 177.81 2pbw h LYS 147 N 0.30 1.08 0.00 1.51 3.64 -0.21 -3.21 116.57 119.69 2pbw h LYS 147 Ca 0.05 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.10 2pbw h LYS 147 Cb 0.59 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2pbw h LYS 147 CO 0.04 1.04 -0.81 1.63 -2.27 0.00 0.00 179.45 179.08 2pbw n LYS 148 N -4.18 0.30 -1.78 1.90 4.76 -0.42 -4.96 118.16 113.78 2pbw n LYS 148 Ca 0.03 0.05 -0.37 0.00 -2.87 0.00 0.00 58.31 55.16 2pbw n LYS 148 Cb 0.34 -1.65 0.06 0.00 -1.84 0.00 0.00 35.03 31.94 2pbw n LYS 148 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2pbw s SER 149 N -4.14 4.69 0.00 4.39 0.15 -0.54 -4.93 113.70 113.31 2pbw s SER 149 Ca 0.05 2.58 0.00 0.00 0.70 0.00 0.00 55.95 59.27 2pbw s SER 149 Cb 0.14 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 2pbw s SER 149 CO 0.76 -1.94 0.91 0.29 1.20 0.00 0.00 173.24 174.45 2pbw n LYS 150 N -1.88 2.38 -2.49 5.44 5.02 -1.26 -4.63 118.16 120.75 2pbw n LYS 150 Ca 0.15 -1.33 -0.42 0.00 -2.02 0.00 0.00 58.31 54.70 2pbw n LYS 150 Cb 0.48 -0.97 -0.03 0.00 -0.02 0.00 0.00 35.03 34.50 2pbw n LYS 150 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2pbw s ILE 151 N -0.83 4.24 0.14 -0.18 -1.09 -1.26 -4.89 121.20 117.33 2pbw s ILE 151 Ca 0.00 1.60 -0.32 0.00 -2.23 0.00 0.00 60.65 59.70 2pbw s ILE 151 Cb 0.00 -4.03 -0.10 0.00 -1.58 0.00 0.00 42.46 36.75 2pbw s ILE 151 CO 0.00 0.12 1.55 0.77 -1.23 0.00 0.00 174.94 176.14 2pbw h SER 152 N 6.84 -1.90 -1.00 3.58 4.64 -1.98 0.29 113.55 124.02 2pbw h SER 152 Ca -0.41 0.26 0.18 0.00 -0.47 0.00 0.00 61.79 61.35 2pbw h SER 152 Cb 1.21 0.79 -0.10 0.00 -0.31 0.00 0.00 62.40 63.99 2pbw h SER 152 CO 0.80 -0.38 0.62 0.74 -0.87 0.00 0.00 176.83 177.74 2pbw h THR 153 N -0.34 0.74 0.00 2.95 2.02 -1.99 0.16 112.91 116.44 2pbw h THR 153 Ca 0.09 -0.27 -0.16 0.00 0.77 0.00 0.00 66.41 66.84 2pbw h THR 153 Cb 0.57 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 2pbw h THR 153 CO -0.65 0.14 -0.75 1.88 0.37 0.00 0.00 175.52 176.52 2pbw h TYR 154 N 0.79 0.00 -0.46 3.16 0.05 -1.71 -2.34 116.97 116.47 2pbw h TYR 154 Ca 0.57 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 59.23 2pbw h TYR 154 Cb 0.85 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.57 2pbw h TYR 154 CO -0.00 0.75 -0.17 0.93 -1.05 0.00 0.00 178.16 178.61 2pbw h GLU 155 N 0.00 0.93 -0.36 4.88 5.08 0.15 -1.15 114.58 124.12 2pbw h GLU 155 Ca -0.01 -0.38 -0.05 0.00 -1.00 0.00 0.00 59.36 57.92 2pbw h GLU 155 Cb 1.53 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.73 2pbw h GLU 155 CO 0.10 1.04 0.03 -0.22 -1.00 0.00 0.00 179.01 178.96 2pbw h LYS 156 N 0.77 0.61 -0.44 2.33 3.64 -0.76 -1.18 116.57 121.54 2pbw h LYS 156 Ca 0.11 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 2pbw h LYS 156 Cb 0.73 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 2pbw h LYS 156 CO 0.06 0.70 0.06 0.52 -2.27 0.00 0.00 179.45 178.51 2pbw h MET 157 N 0.44 0.68 -0.38 1.90 2.86 -1.31 -1.89 114.93 117.22 2pbw h MET 157 Ca 0.11 -0.14 -0.13 0.00 -2.06 0.00 0.00 59.70 57.47 2pbw h MET 157 Cb 0.40 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.95 2pbw h MET 157 CO 0.01 0.65 -0.29 2.35 1.06 0.00 0.00 176.91 180.70 2pbw h TRP 158 N 0.65 0.95 -0.75 -0.22 -0.00 -0.98 -0.04 115.95 115.56 2pbw h TRP 158 Ca 0.14 -0.24 0.07 0.00 -0.00 0.00 0.00 58.89 58.86 2pbw h TRP 158 Cb 0.32 -0.22 -0.06 0.00 -0.00 0.00 0.00 29.16 29.20 2pbw h TRP 158 CO 0.01 1.00 0.43 0.00 -0.00 0.00 0.00 178.44 179.89 2pbw h ALA 159 N 0.98 1.02 -0.13 2.65 0.00 -0.46 -0.63 119.26 122.68 2pbw h ALA 159 Ca 0.08 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2pbw h ALA 159 Cb 0.83 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2pbw h ALA 159 CO 0.07 0.11 -0.27 0.35 0.00 0.00 0.00 179.25 179.51 2pbw h PHE 160 N 0.78 0.53 -0.65 0.00 3.04 -1.06 -2.78 116.94 116.80 2pbw h PHE 160 Ca 0.34 -0.19 0.02 0.00 3.98 0.00 0.00 57.97 62.11 2pbw h PHE 160 Cb 0.22 -0.10 -0.04 0.00 2.56 0.00 0.00 35.95 38.60 2pbw h PHE 160 CO -0.06 0.89 0.42 0.52 -2.02 0.00 0.00 178.31 178.06 2pbw h MET 161 N 0.02 0.81 0.00 1.11 2.86 -0.68 -2.81 114.93 116.23 2pbw h MET 161 Ca 0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2pbw h MET 161 Cb 0.87 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.34 2pbw h MET 161 CO 0.06 0.54 -0.03 -1.13 1.06 0.00 0.00 176.91 177.41 2pbw n SER 162 N -4.67 0.53 -4.68 1.22 3.41 -0.27 -4.17 113.62 105.00 2pbw n SER 162 Ca 0.06 0.52 -0.29 0.00 -0.26 0.00 0.00 58.87 58.90 2pbw n SER 162 Cb 0.05 -0.65 0.17 0.00 -0.26 0.00 0.00 64.21 63.52 2pbw n SER 162 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2pbw s SER 163 N -3.98 2.85 -1.48 4.04 1.04 -1.05 -2.82 113.70 112.30 2pbw s SER 163 Ca 0.12 1.34 -0.05 0.00 0.48 0.00 0.00 55.95 57.83 2pbw s SER 163 Cb 0.15 -2.01 0.04 0.00 0.10 0.00 0.00 66.02 64.30 2pbw s SER 163 CO 0.58 -3.01 0.53 0.54 0.98 0.00 0.00 173.24 172.87 2pbw n ARG 164 N -4.11 -3.43 -2.33 4.02 1.74 -1.26 -1.02 116.66 110.28 2pbw n ARG 164 Ca 0.06 0.41 -0.20 0.00 -0.77 0.00 0.00 57.85 57.35 2pbw n ARG 164 Cb 0.56 -4.72 -0.01 0.00 -1.02 0.00 0.00 32.46 27.27 2pbw n ARG 164 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2pbw n GLN 165 N -4.42 -1.57 -2.86 5.56 6.02 -1.25 -2.25 117.38 116.61 2pbw n GLN 165 Ca -0.21 0.97 -0.20 0.00 -0.01 0.00 0.00 57.00 57.56 2pbw n GLN 165 Cb 0.63 -5.56 0.03 0.00 1.02 0.00 0.00 30.24 26.36 2pbw n GLN 165 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2pbw n GLN 166 N -2.87 -4.04 0.30 -1.09 6.02 -0.18 -4.87 117.38 110.65 2pbw n GLN 166 Ca -0.23 0.84 0.19 0.00 -0.01 0.00 0.00 57.00 57.78 2pbw n GLN 166 Cb 0.68 -5.49 0.96 0.00 1.02 0.00 0.00 30.24 27.40 2pbw n GLN 166 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2pbw h SER 167 N -1.09 0.00 1.00 1.08 4.64 -1.50 -1.77 113.55 115.90 2pbw h SER 167 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2pbw h SER 167 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 2pbw h SER 167 CO 0.52 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 176.50 2pbw n ALA 168 N -2.15 2.18 -2.44 5.18 0.00 -1.26 -4.82 120.51 117.20 2pbw n ALA 168 Ca -0.02 -0.07 -0.27 0.00 0.00 0.00 0.00 53.44 53.08 2pbw n ALA 168 Cb 0.17 -1.43 -0.02 0.00 0.00 0.00 0.00 19.45 18.17 2pbw n ALA 168 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2pbw s LEU 169 N -3.37 3.89 0.21 0.00 1.43 -0.67 -3.66 118.68 116.51 2pbw s LEU 169 Ca 0.12 0.76 0.10 0.00 -1.03 0.00 0.00 54.13 54.08 2pbw s LEU 169 Cb 0.16 -3.64 -0.05 0.00 0.03 0.00 0.00 46.19 42.69 2pbw s LEU 169 CO 0.49 -0.36 -0.20 0.68 0.23 0.00 0.00 176.35 177.19 2pbw s VAL 170 N -2.38 2.16 0.20 -1.59 -7.23 -0.71 -4.92 120.40 105.92 2pbw s VAL 170 Ca 0.45 -2.12 0.01 0.00 -1.81 0.00 0.00 61.98 58.51 2pbw s VAL 170 Cb -0.10 -2.08 -0.09 0.00 0.56 0.00 0.00 36.38 34.67 2pbw s VAL 170 CO 0.36 -0.31 1.47 0.11 -0.31 0.00 0.00 175.10 176.43 2pbw h LYS 171 N 2.88 0.31 -3.48 4.82 1.57 -1.93 0.47 116.57 121.21 2pbw h LYS 171 Ca -0.42 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.07 2pbw h LYS 171 Cb 1.22 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 33.49 2pbw h LYS 171 CO 0.54 0.89 -0.05 0.54 -0.57 0.00 0.00 179.45 180.80 2pbw s ASN 172 N -6.93 -0.15 0.23 0.86 2.20 -1.26 -4.59 114.94 105.29 2pbw s ASN 172 Ca -0.05 -0.73 -0.06 0.00 -0.94 0.00 0.00 52.86 51.08 2pbw s ASN 172 Cb 0.11 0.58 0.38 0.00 -2.00 0.00 0.00 41.25 40.32 2pbw s ASN 172 CO 0.82 -1.11 1.73 0.28 -2.94 0.00 0.00 177.10 175.89 2pbw h SER 173 N 2.24 0.24 -0.77 3.54 0.02 -1.99 -2.00 113.55 114.83 2pbw h SER 173 Ca -0.27 0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 60.75 2pbw h SER 173 Cb 1.25 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.84 2pbw h SER 173 CO 0.36 0.11 0.37 0.44 -1.14 0.00 0.00 176.83 176.97 2pbw h ASP 174 N 0.42 1.01 -0.52 3.07 3.32 -1.99 0.63 116.42 122.37 2pbw h ASP 174 Ca 0.37 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.23 2pbw h ASP 174 Cb 0.52 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 2pbw h ASP 174 CO -0.37 0.86 0.15 -0.08 -1.72 0.00 0.00 179.24 178.08 2pbw h GLU 175 N 1.08 0.86 -0.34 3.56 4.81 -1.85 -0.90 114.58 121.80 2pbw h GLU 175 Ca 0.26 -0.17 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 2pbw h GLU 175 Cb 0.12 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 2pbw h GLU 175 CO -0.03 0.77 0.03 0.78 -0.73 0.00 0.00 179.01 179.82 2pbw h GLY 176 N 0.98 0.63 0.96 1.92 0.00 -0.65 -1.16 103.07 105.75 2pbw h GLY 176 Ca 0.18 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 2pbw h GLY 176 CO -0.00 0.41 0.19 -2.22 0.00 0.00 0.00 176.54 174.91 2pbw h ILE 177 N 0.40 1.20 -0.43 2.60 2.04 -0.54 -0.55 117.51 122.24 2pbw h ILE 177 Ca 0.10 -0.61 -0.06 0.00 1.00 0.00 0.00 64.86 65.29 2pbw h ILE 177 Cb 0.41 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 2pbw h ILE 177 CO 0.01 0.23 0.02 1.56 0.00 0.00 0.00 178.15 179.97 2pbw h GLN 178 N 0.59 0.68 -0.25 2.37 1.08 -1.12 -0.74 115.11 117.72 2pbw h GLN 178 Ca 0.15 -0.16 -0.08 0.00 -1.45 0.00 0.00 58.65 57.11 2pbw h GLN 178 Cb 0.18 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 2pbw h GLN 178 CO -0.01 0.68 -0.20 -0.09 -0.95 0.00 0.00 178.83 178.26 2pbw h ARG 179 N 0.64 0.45 -0.28 1.46 2.43 -0.62 -1.04 114.38 117.43 2pbw h ARG 179 Ca 0.13 -0.15 -0.19 0.00 -0.81 0.00 0.00 59.98 58.96 2pbw h ARG 179 Cb 0.38 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2pbw h ARG 179 CO 0.01 0.63 -0.57 0.28 -1.51 0.00 0.00 179.97 178.82 2pbw h VAL 180 N 0.41 1.27 0.00 0.20 2.07 -0.39 -1.77 116.25 118.04 2pbw h VAL 180 Ca 0.07 -1.75 -0.06 0.00 0.82 0.00 0.00 66.70 65.77 2pbw h VAL 180 Cb 0.59 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 2pbw h VAL 180 CO 0.04 0.57 -0.29 -0.07 0.02 0.00 0.00 177.57 177.84 2pbw h LEU 181 N 0.66 0.00 0.00 2.57 3.38 -0.82 -3.36 115.31 117.74 2pbw h LEU 181 Ca 0.01 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.60 2pbw h LEU 181 Cb 1.18 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.86 2pbw h LEU 181 CO 0.13 0.29 -2.44 0.41 0.09 0.00 0.00 178.44 176.92 2pbw n THR 182 N -3.50 1.45 -4.48 0.22 -1.04 -0.42 -5.05 114.28 101.47 2pbw n THR 182 Ca -0.00 -0.63 -0.21 0.00 -2.04 0.00 0.00 64.05 61.17 2pbw n THR 182 Cb 0.45 -1.20 -0.04 0.00 -1.82 0.00 0.00 70.33 67.72 2pbw n THR 182 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2pbw n THR 183 N -3.14 0.00 -2.84 12.58 -2.24 -0.67 -5.04 114.28 112.93 2pbw n THR 183 Ca -0.43 -1.55 -0.44 0.00 -2.27 0.00 0.00 64.05 59.36 2pbw n THR 183 Cb 1.02 0.30 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 2pbw n THR 183 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2pbw n ASP 184 N -1.21 5.19 -3.97 3.42 2.03 -1.26 -4.66 116.55 116.09 2pbw n ASP 184 Ca -0.13 -2.99 -0.15 0.00 0.52 0.00 0.00 54.79 52.03 2pbw n ASP 184 Cb 0.42 -1.57 -0.14 0.00 -0.72 0.00 0.00 41.12 39.11 2pbw n ASP 184 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2pbw s TYR 185 N 1.50 0.46 -0.04 -0.67 5.04 -1.26 -2.50 117.35 119.88 2pbw s TYR 185 Ca 0.43 -0.14 0.04 0.00 -2.44 0.00 0.00 57.07 54.96 2pbw s TYR 185 Cb -0.01 -0.29 -0.02 0.00 0.35 0.00 0.00 41.96 41.99 2pbw s TYR 185 CO 0.01 -0.02 -0.17 0.00 -1.34 0.00 0.00 175.55 174.03 2pbw s ALA 186 N -0.28 2.57 -0.21 3.97 0.00 0.18 -4.44 121.76 123.55 2pbw s ALA 186 Ca 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 51.96 50.93 2pbw s ALA 186 Cb -0.03 -0.89 -0.00 0.00 0.00 0.00 0.00 23.12 22.20 2pbw s ALA 186 CO -0.00 0.55 -0.08 -1.17 0.00 0.00 0.00 175.76 175.06 2pbw s LEU 187 N -0.70 2.75 -0.16 0.00 2.96 -0.13 -2.05 118.68 121.36 2pbw s LEU 187 Ca 0.11 -0.43 -0.29 0.00 -0.22 0.00 0.00 54.13 53.30 2pbw s LEU 187 Cb -0.11 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 44.89 2pbw s LEU 187 CO 0.00 -0.00 1.17 -0.76 -1.32 0.00 0.00 176.35 175.44 2pbw s LEU 188 N 1.36 4.18 0.07 -0.68 2.01 0.30 -0.65 118.68 125.27 2pbw s LEU 188 Ca 0.04 1.61 -0.12 0.00 0.01 0.00 0.00 54.13 55.68 2pbw s LEU 188 Cb -0.14 -3.54 0.01 0.00 0.01 0.00 0.00 46.19 42.53 2pbw s LEU 188 CO -0.04 -0.68 0.27 -0.32 1.01 0.00 0.00 176.35 176.59 2pbw s MET 189 N 3.05 0.85 0.20 1.70 -2.45 -0.05 -4.56 119.30 118.03 2pbw s MET 189 Ca 0.51 -0.70 -0.30 0.00 -1.25 0.00 0.00 55.69 53.96 2pbw s MET 189 Cb -0.20 0.36 -0.09 0.00 1.25 0.00 0.00 34.83 36.15 2pbw s MET 189 CO 0.14 -0.28 1.39 -1.21 1.05 0.00 0.00 175.02 176.11 2pbw s GLU 190 N -3.16 4.32 0.30 4.11 2.02 -1.26 -0.52 118.70 124.51 2pbw s GLU 190 Ca -0.01 2.18 0.06 0.00 0.02 0.00 0.00 54.97 57.22 2pbw s GLU 190 Cb 0.01 -3.17 0.78 0.00 0.10 0.00 0.00 34.13 31.86 2pbw s GLU 190 CO -0.07 -0.37 1.72 0.66 0.02 0.00 0.00 175.26 177.21 2pbw h SER 191 N 5.57 0.51 -0.80 -0.19 4.64 -0.17 0.36 113.55 123.47 2pbw h SER 191 Ca -0.45 0.14 0.03 0.00 -0.47 0.00 0.00 61.79 61.04 2pbw h SER 191 Cb 1.21 0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 63.34 2pbw h SER 191 CO 0.80 0.07 0.53 0.71 -0.87 0.00 0.00 176.83 178.07 2pbw h THR 192 N 0.51 1.15 -0.08 2.95 1.35 -1.91 -1.07 112.91 115.81 2pbw h THR 192 Ca 0.59 -0.35 -0.19 0.00 -0.55 0.00 0.00 66.41 65.91 2pbw h THR 192 Cb 1.10 0.04 -0.00 0.00 -1.73 0.00 0.00 68.15 67.56 2pbw h THR 192 CO -0.49 0.19 -0.74 0.28 -0.25 0.00 0.00 175.52 174.51 2pbw h SER 193 N 1.02 0.53 -0.57 5.36 0.02 -1.33 -2.83 113.55 115.75 2pbw h SER 193 Ca 0.31 -0.35 -0.04 0.00 -0.84 0.00 0.00 61.79 60.87 2pbw h SER 193 Cb -0.02 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 2pbw h SER 193 CO -0.08 1.10 0.20 0.40 -1.14 0.00 0.00 176.83 177.30 2pbw h ILE 194 N 0.30 1.23 -0.35 3.27 2.04 -0.70 -1.34 117.51 121.96 2pbw h ILE 194 Ca -0.03 -0.78 0.03 0.00 1.00 0.00 0.00 64.86 65.08 2pbw h ILE 194 Cb 1.32 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 2pbw h ILE 194 CO 0.13 0.29 0.15 -0.33 0.00 0.00 0.00 178.15 178.39 2pbw h GLU 195 N 0.80 0.30 -0.13 2.37 5.08 -1.19 0.20 114.58 122.01 2pbw h GLU 195 Ca 0.19 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.56 2pbw h GLU 195 Cb 0.26 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 2pbw h GLU 195 CO -0.01 0.20 -0.04 -0.92 -1.00 0.00 0.00 179.01 177.24 2pbw h TYR 196 N 0.31 -0.08 -0.01 4.33 3.20 -1.23 -2.45 116.97 121.04 2pbw h TYR 196 Ca 0.15 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 2pbw h TYR 196 Cb 0.10 0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 2pbw h TYR 196 CO -0.12 -0.07 0.00 0.28 -1.64 0.00 0.00 178.16 176.61 2pbw h VAL 197 N -0.01 1.23 0.00 1.81 2.07 -0.78 -3.09 116.25 117.48 2pbw h VAL 197 Ca 0.07 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.90 2pbw h VAL 197 Cb 0.11 1.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.56 2pbw h VAL 197 CO -0.14 0.18 -0.01 0.71 0.02 0.00 0.00 177.57 178.33 2pbw h THR 198 N -0.27 0.23 0.00 2.57 1.35 -0.58 0.79 112.91 116.99 2pbw h THR 198 Ca 0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 2pbw h THR 198 Cb 0.29 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 2pbw h THR 198 CO 0.00 0.01 0.00 0.00 -0.25 0.00 0.00 175.52 175.28 2pbw n GLN 199 N -3.39 0.19 0.00 4.72 1.13 -0.93 -3.42 117.38 115.68 2pbw n GLN 199 Ca -0.03 0.18 0.00 0.00 -1.94 0.00 0.00 57.00 55.21 2pbw n GLN 199 Cb 0.10 -1.73 0.00 0.00 0.11 0.00 0.00 30.24 28.72 2pbw n GLN 199 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2pbw n ARG 200 N -2.07 -0.36 -3.47 -1.09 1.74 0.12 -4.23 116.66 107.31 2pbw n ARG 200 Ca 0.06 -0.66 -0.26 0.00 -0.77 0.00 0.00 57.85 56.22 2pbw n ARG 200 Cb 0.39 -1.00 -0.12 0.00 -1.02 0.00 0.00 32.46 30.71 2pbw n ARG 200 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2pbw s ASN 201 N -0.16 2.78 0.18 0.55 0.01 -0.32 -5.00 114.94 112.99 2pbw s ASN 201 Ca 0.00 -1.67 0.17 0.00 -0.71 0.00 0.00 52.86 50.64 2pbw s ASN 201 Cb 0.00 -0.16 0.78 0.00 0.41 0.00 0.00 41.25 42.28 2pbw s ASN 201 CO 0.00 -0.35 1.51 0.00 -1.51 0.00 0.00 177.10 176.75 2pbw h ASN 203 N 0.00 0.00 -2.36 0.00 2.35 -1.94 -3.46 115.58 110.16 2pbw h ASN 203 Ca 0.00 0.00 -0.46 0.00 -0.55 0.00 0.00 56.30 55.29 2pbw h ASN 203 Cb 0.16 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.52 2pbw h ASN 203 CO 0.00 0.46 -0.35 -0.76 -1.65 0.00 0.00 177.43 175.13 2pbw s LEU 204 N -6.57 4.20 0.21 1.61 1.43 -0.59 -0.72 118.68 118.26 2pbw s LEU 204 Ca 0.03 0.17 -0.22 0.00 -1.03 0.00 0.00 54.13 53.09 2pbw s LEU 204 Cb 0.08 -2.99 0.05 0.00 0.03 0.00 0.00 46.19 43.35 2pbw s LEU 204 CO 0.73 -0.16 0.65 0.28 0.23 0.00 0.00 176.35 178.07 2pbw s THR 205 N -2.10 0.00 0.13 5.49 -1.32 -0.48 -4.74 115.64 112.62 2pbw s THR 205 Ca 0.37 -0.45 -0.22 0.00 -1.21 0.00 0.00 61.69 60.17 2pbw s THR 205 Cb -0.09 -1.45 -0.07 0.00 -1.51 0.00 0.00 72.50 69.37 2pbw s THR 205 CO 0.31 -0.00 0.67 -1.58 -2.21 0.00 0.00 174.62 171.81 2pbw s GLN 206 N -3.83 4.36 -0.20 7.08 0.74 -1.26 -2.21 119.66 124.34 2pbw s GLN 206 Ca 0.06 0.92 -0.05 0.00 0.05 0.00 0.00 55.36 56.34 2pbw s GLN 206 Cb -0.03 -3.21 -0.02 0.00 1.10 0.00 0.00 33.01 30.85 2pbw s GLN 206 CO -0.04 0.58 -0.01 0.42 -0.55 0.00 0.00 175.29 175.70 2pbw s ILE 207 N -1.18 3.89 0.00 -2.34 -1.09 0.11 -4.95 121.20 115.65 2pbw s ILE 207 Ca 0.33 -0.34 0.00 0.00 -2.23 0.00 0.00 60.65 58.42 2pbw s ILE 207 Cb -0.21 -2.75 0.00 0.00 -1.58 0.00 0.00 42.46 37.92 2pbw s ILE 207 CO 0.22 0.44 0.00 0.61 -1.23 0.00 0.00 174.94 174.98 2pbw n GLY 208 N 4.20 -0.78 0.00 6.18 0.00 -1.21 -3.71 105.19 109.87 2pbw n GLY 208 Ca -0.17 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.76 2pbw n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pbw n GLY 209 N 0.00 2.92 3.81 -0.02 0.00 -1.26 -4.88 105.19 105.77 2pbw n GLY 209 Ca 0.00 -1.85 -0.38 0.00 0.00 0.00 0.00 46.02 43.79 2pbw n GLY 209 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pbw s LEU 210 N 0.00 4.48 -0.01 0.99 1.43 -1.26 -4.57 118.68 119.74 2pbw s LEU 210 Ca 0.00 1.28 0.19 0.00 -1.03 0.00 0.00 54.13 54.56 2pbw s LEU 210 Cb 0.00 -3.06 0.55 0.00 0.03 0.00 0.00 46.19 43.71 2pbw s LEU 210 CO 0.00 0.22 1.46 2.30 0.23 0.00 0.00 176.35 180.56 2pbw n ILE 211 N 1.46 1.04 -3.61 -0.59 -5.35 -0.28 -4.96 119.36 107.08 2pbw n ILE 211 Ca -0.08 -1.02 -0.00 0.00 -0.27 0.00 0.00 62.75 61.38 2pbw n ILE 211 Cb 0.51 0.48 -0.01 0.00 -1.74 0.00 0.00 39.64 38.88 2pbw n ILE 211 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 2pbw s ASP 212 N -1.00 -0.07 -0.21 7.28 -4.77 -1.26 -4.92 116.67 111.70 2pbw s ASP 212 Ca 0.41 -0.07 0.02 0.00 -3.30 0.00 0.00 52.55 49.61 2pbw s ASP 212 Cb 0.22 0.13 0.04 0.00 -1.09 0.00 0.00 42.92 42.22 2pbw s ASP 212 CO 0.27 -0.23 -0.15 -0.55 0.70 0.00 0.00 175.17 175.21 2pbw s SER 213 N -2.65 3.67 0.38 2.11 0.15 -1.26 -3.91 113.70 112.19 2pbw s SER 213 Ca 0.12 -0.97 0.04 0.00 0.70 0.00 0.00 55.95 55.84 2pbw s SER 213 Cb 0.03 -1.47 -0.05 0.00 -1.71 0.00 0.00 66.02 62.82 2pbw s SER 213 CO -0.04 -0.10 0.07 -0.54 1.20 0.00 0.00 173.24 173.83 2pbw s LYS 214 N 1.24 1.83 0.07 5.44 1.02 0.13 -4.98 119.74 124.49 2pbw s LYS 214 Ca -0.01 -2.07 -0.07 0.00 0.02 0.00 0.00 55.97 53.84 2pbw s LYS 214 Cb -0.16 -0.97 -0.01 0.00 -0.52 0.00 0.00 37.83 36.17 2pbw s LYS 214 CO -0.09 -0.27 0.14 0.20 -0.92 0.00 0.00 175.35 174.40 2pbw s GLY 215 N -3.60 0.17 -0.13 -3.33 0.00 -1.26 0.22 107.32 99.39 2pbw s GLY 215 Ca 0.29 -0.71 -0.05 0.00 0.00 0.00 0.00 44.72 44.25 2pbw s GLY 215 CO 0.14 -0.87 0.05 -0.19 0.00 0.00 0.00 173.10 172.23 2pbw s TYR 216 N -3.66 3.28 0.13 1.90 2.02 0.02 -1.09 117.35 119.95 2pbw s TYR 216 Ca 0.04 0.21 0.02 0.00 -0.37 0.00 0.00 57.07 56.96 2pbw s TYR 216 Cb 0.05 -1.92 -0.04 0.00 -0.40 0.00 0.00 41.96 39.64 2pbw s TYR 216 CO -0.10 0.41 -0.03 0.20 -1.57 0.00 0.00 175.55 174.46 2pbw s GLY 217 N -0.47 0.94 0.02 0.71 0.00 -1.17 -0.50 107.32 106.84 2pbw s GLY 217 Ca 0.10 -1.44 -0.29 0.00 0.00 0.00 0.00 44.72 43.08 2pbw s GLY 217 CO 0.02 -1.47 0.94 0.14 0.00 0.00 0.00 173.10 172.73 2pbw s VAL 218 N -3.67 4.80 0.06 1.40 1.01 -1.26 -4.60 120.40 118.13 2pbw s VAL 218 Ca 0.17 1.99 -0.11 0.00 0.00 0.00 0.00 61.98 64.03 2pbw s VAL 218 Cb 0.06 -4.29 -0.06 0.00 0.00 0.00 0.00 36.38 32.09 2pbw s VAL 218 CO -0.01 0.21 0.39 -0.83 0.00 0.00 0.00 175.10 174.86 2pbw s GLY 219 N 0.72 2.36 0.06 4.51 0.00 0.56 -1.70 107.32 113.83 2pbw s GLY 219 Ca 0.49 -0.36 -0.04 0.00 0.00 0.00 0.00 44.72 44.81 2pbw s GLY 219 CO 0.27 -0.11 0.06 -0.51 0.00 0.00 0.00 173.10 172.81 2pbw s THR 220 N -1.32 0.17 0.72 0.90 -4.23 -0.03 -0.04 115.64 111.81 2pbw s THR 220 Ca 0.31 -1.43 -0.14 0.00 -1.18 0.00 0.00 61.69 59.24 2pbw s THR 220 Cb -0.14 -1.28 0.03 0.00 1.34 0.00 0.00 72.50 72.45 2pbw s THR 220 CO 0.17 -0.79 1.16 -2.84 -0.54 0.00 0.00 174.62 171.78 2pbw s PRO 221 N -3.52 2.30 0.33 3.99 0.02 -1.26 -0.90 135.00 135.96 2pbw s PRO 221 Ca 0.03 1.58 -0.29 0.00 0.02 0.00 0.00 61.00 62.34 2pbw s PRO 221 Cb 0.04 -1.87 -0.11 0.00 0.02 0.00 0.00 34.50 32.58 2pbw s PRO 221 CO -0.09 -1.67 1.46 0.42 -0.33 0.00 0.00 177.00 176.79 2pbw s ILE 222 N -2.21 2.28 0.00 2.83 1.01 -1.26 -1.93 121.20 121.92 2pbw s ILE 222 Ca 0.70 0.26 0.00 0.00 0.00 0.00 0.00 60.65 61.62 2pbw s ILE 222 Cb -0.25 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.05 2pbw s ILE 222 CO 0.45 0.06 0.00 0.61 0.00 0.00 0.00 174.94 176.06 2pbw n GLY 223 N 1.13 0.69 3.74 6.18 0.00 -1.26 -4.98 105.19 110.69 2pbw n GLY 223 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2pbw n GLY 223 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pbw s SER 224 N -2.35 6.71 0.23 1.61 0.15 -0.81 -4.92 113.70 114.32 2pbw s SER 224 Ca 0.00 2.59 0.24 0.00 0.70 0.00 0.00 55.95 59.48 2pbw s SER 224 Cb 0.00 -2.62 0.92 0.00 -1.71 0.00 0.00 66.02 62.62 2pbw s SER 224 CO 0.00 -0.67 1.73 -0.81 1.20 0.00 0.00 173.24 174.69 2pbw n PRO 225 N 2.63 0.21 0.06 5.44 -0.04 -1.26 -3.27 135.00 138.76 2pbw n PRO 225 Ca 0.07 0.34 -0.01 0.00 -0.04 0.00 0.00 63.50 63.87 2pbw n PRO 225 Cb 0.41 -1.83 -0.06 0.00 -0.04 0.00 0.00 33.50 31.97 2pbw n PRO 225 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2pbw h TYR 226 N 0.00 0.00 -0.98 0.54 -1.99 -1.97 -3.39 116.97 109.18 2pbw h TYR 226 Ca 0.00 0.00 0.10 0.00 2.00 0.00 0.00 58.73 60.83 2pbw h TYR 226 Cb 0.48 0.00 -0.13 0.00 2.00 0.00 0.00 36.73 39.08 2pbw h TYR 226 CO 0.00 0.64 -0.55 -0.09 -0.00 0.00 0.00 178.16 178.16 2pbw h ARG 227 N 0.00 -0.01 -0.41 4.88 1.12 -1.93 0.19 114.38 118.21 2pbw h ARG 227 Ca -0.12 0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 58.65 2pbw h ARG 227 Cb 1.59 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 31.54 2pbw h ARG 227 CO 0.06 -0.01 -0.15 -0.44 -3.11 0.00 0.00 179.97 176.33 2pbw h ASP 228 N -0.01 0.76 -0.70 -3.80 3.32 -1.82 -1.47 116.42 112.71 2pbw h ASP 228 Ca 0.19 -0.24 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 2pbw h ASP 228 Cb 0.45 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 2pbw h ASP 228 CO -0.94 0.92 0.21 0.11 -1.72 0.00 0.00 179.24 177.82 2pbw h LYS 229 N 0.68 1.10 -0.36 3.56 1.57 -1.34 -1.52 116.57 120.27 2pbw h LYS 229 Ca 0.11 -0.24 -0.12 0.00 -1.87 0.00 0.00 60.65 58.53 2pbw h LYS 229 Cb 0.64 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 2pbw h LYS 229 CO 0.04 0.95 -0.26 0.82 -0.57 0.00 0.00 179.45 180.43 2pbw h ILE 230 N 1.06 1.28 -0.19 1.86 2.04 -0.50 -1.91 117.51 121.15 2pbw h ILE 230 Ca 0.23 -1.41 0.03 0.00 1.00 0.00 0.00 64.86 64.71 2pbw h ILE 230 Cb 0.32 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.76 2pbw h ILE 230 CO -0.01 0.47 -0.02 0.74 0.00 0.00 0.00 178.15 179.33 2pbw h THR 231 N 0.60 0.84 -0.90 -0.27 2.02 -1.01 0.56 112.91 114.76 2pbw h THR 231 Ca 0.07 -0.01 -0.00 0.00 0.77 0.00 0.00 66.41 67.23 2pbw h THR 231 Cb 0.83 0.80 -0.04 0.00 -1.74 0.00 0.00 68.15 68.00 2pbw h THR 231 CO 0.07 0.01 0.54 0.40 0.37 0.00 0.00 175.52 176.91 2pbw h ILE 232 N 0.04 1.25 -0.40 3.11 2.04 -1.22 -1.58 117.51 120.74 2pbw h ILE 232 Ca 0.09 -0.53 -0.11 0.00 1.00 0.00 0.00 64.86 65.31 2pbw h ILE 232 Cb 0.12 -0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.16 2pbw h ILE 232 CO -0.17 0.26 -0.19 0.00 0.00 0.00 0.00 178.15 178.05 2pbw h ALA 233 N 1.36 0.91 -0.46 1.87 0.00 -0.69 -1.98 119.26 120.28 2pbw h ALA 233 Ca 0.32 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2pbw h ALA 233 Cb -0.06 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2pbw h ALA 233 CO -0.06 0.62 0.13 0.82 0.00 0.00 0.00 179.25 180.76 2pbw h ILE 234 N 0.69 1.23 -0.97 0.00 2.04 -0.36 -0.46 117.51 119.67 2pbw h ILE 234 Ca 0.10 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.19 2pbw h ILE 234 Cb 0.69 0.86 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 2pbw h ILE 234 CO 0.05 0.28 0.61 -0.07 0.00 0.00 0.00 178.15 179.01 2pbw h LEU 235 N 0.60 1.15 -0.00 1.44 3.38 -1.15 0.81 115.31 121.54 2pbw h LEU 235 Ca 0.15 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2pbw h LEU 235 Cb 0.28 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2pbw h LEU 235 CO -0.00 0.86 0.00 -0.61 0.09 0.00 0.00 178.44 178.78 2pbw h GLN 236 N 1.33 0.01 -0.27 1.13 4.15 -0.97 0.11 115.11 120.60 2pbw h GLN 236 Ca 0.35 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.75 2pbw h GLN 236 Cb -0.09 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 2pbw h GLN 236 CO -0.07 0.10 0.05 -0.07 -1.93 0.00 0.00 178.83 176.91 2pbw h LEU 237 N -0.09 0.34 0.02 -2.39 3.38 -0.59 -2.23 115.31 113.76 2pbw h LEU 237 Ca 0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 2pbw h LEU 237 Cb 0.09 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2pbw h LEU 237 CO -0.00 0.36 -0.01 -0.61 0.09 0.00 0.00 178.44 178.27 2pbw h GLN 238 N 0.38 -0.03 -0.05 1.13 -0.00 -0.54 -1.32 115.11 114.68 2pbw h GLN 238 Ca 0.09 0.00 0.01 0.00 -0.00 0.00 0.00 58.65 58.76 2pbw h GLN 238 Cb 0.17 0.01 -0.00 0.00 0.00 0.00 0.00 27.48 27.65 2pbw h GLN 238 CO -0.00 0.47 0.06 0.93 0.00 0.00 0.00 178.83 180.29 2pbw h GLU 239 N -0.55 0.00 -0.58 1.69 5.08 -0.64 -1.89 114.58 117.69 2pbw h GLU 239 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2pbw h GLU 239 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2pbw h GLU 239 CO 0.01 0.00 0.00 -0.85 -1.00 0.00 0.00 179.01 177.17 2pbw n GLU 240 N -3.69 3.33 -0.98 2.33 0.28 -0.87 -4.96 120.64 116.08 2pbw n GLU 240 Ca -0.02 -2.71 0.00 0.00 -0.16 0.00 0.00 57.16 54.28 2pbw n GLU 240 Cb 0.15 -1.72 0.00 0.00 1.43 0.00 0.00 31.44 31.30 2pbw n GLU 240 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2pbw n GLY 241 N 0.98 0.72 0.27 -1.84 0.00 -0.71 -4.94 105.19 99.67 2pbw n GLY 241 Ca 0.23 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.12 2pbw n GLY 241 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pbw h LYS 242 N 1.95 0.96 -0.72 1.61 1.57 -1.46 -1.48 116.57 119.00 2pbw h LYS 242 Ca 0.00 -0.48 -0.03 0.00 -1.87 0.00 0.00 60.65 58.27 2pbw h LYS 242 Cb 0.03 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 2pbw h LYS 242 CO 0.00 1.14 0.33 -0.07 -0.57 0.00 0.00 179.45 180.28 2pbw h LEU 243 N 0.79 0.96 -0.60 2.94 3.38 -1.82 0.11 115.31 121.07 2pbw h LEU 243 Ca 0.07 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 2pbw h LEU 243 Cb 0.94 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 2pbw h LEU 243 CO 0.09 0.84 0.12 -0.74 0.09 0.00 0.00 178.44 178.84 2pbw h HIS 244 N 1.02 1.04 -0.26 1.13 2.76 -1.85 -1.24 115.15 117.76 2pbw h HIS 244 Ca 0.25 -0.14 -0.01 0.00 -2.20 0.00 0.00 60.37 58.27 2pbw h HIS 244 Cb 0.15 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 28.81 2pbw h HIS 244 CO 0.01 0.89 0.12 1.98 -1.30 0.00 0.00 177.93 179.64 2pbw h MET 245 N 0.89 0.37 -0.71 5.26 -1.53 -0.81 -1.90 114.93 116.50 2pbw h MET 245 Ca 0.18 -0.05 -0.01 0.00 -3.44 0.00 0.00 59.70 56.38 2pbw h MET 245 Cb 0.40 -0.07 -0.03 0.00 -0.55 0.00 0.00 31.60 31.35 2pbw h MET 245 CO 0.01 0.37 0.40 0.52 0.14 0.00 0.00 176.91 178.35 2pbw h MET 246 N 0.28 0.98 -0.43 0.39 2.07 -0.60 -1.48 114.93 116.14 2pbw h MET 246 Ca 0.09 -0.10 -0.00 0.00 -2.07 0.00 0.00 59.70 57.61 2pbw h MET 246 Cb 0.12 -0.20 -0.02 0.00 -1.87 0.00 0.00 31.60 29.63 2pbw h MET 246 CO -0.01 0.71 0.26 -0.22 1.07 0.00 0.00 176.91 178.72 2pbw h LYS 247 N 0.97 0.58 -0.96 1.72 3.64 -1.01 -2.48 116.57 119.03 2pbw h LYS 247 Ca 0.25 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2pbw h LYS 247 Cb 0.01 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.66 2pbw h LYS 247 CO -0.04 0.42 0.62 1.49 -2.27 0.00 0.00 179.45 179.67 2pbw h GLU 248 N 0.57 1.28 -0.38 1.90 4.81 -0.96 0.11 114.58 121.91 2pbw h GLU 248 Ca 0.15 -0.09 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 2pbw h GLU 248 Cb -0.01 -0.28 -0.03 0.00 0.63 0.00 0.00 28.75 29.06 2pbw h GLU 248 CO -0.03 0.87 0.18 -0.22 -0.73 0.00 0.00 179.01 179.08 2pbw h LYS 249 N 1.32 0.36 0.00 1.92 3.64 -0.85 -2.85 116.57 120.10 2pbw h LYS 249 Ca 0.35 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 2pbw h LYS 249 Cb -0.12 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 2pbw h LYS 249 CO -0.07 0.24 -0.85 0.91 -2.27 0.00 0.00 179.45 177.40 2pbw n TRP 250 N -4.94 0.47 -0.04 1.91 7.02 -1.00 -4.49 117.44 116.37 2pbw n TRP 250 Ca 0.01 0.14 -0.20 0.00 -1.02 0.00 0.00 57.50 56.43 2pbw n TRP 250 Cb 0.10 -0.60 -0.13 0.00 -2.42 0.00 0.00 31.31 28.26 2pbw n TRP 250 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 2pbw n TRP 251 N -2.11 0.83 -1.56 -5.99 8.01 0.00 -4.89 117.44 111.73 2pbw n TRP 251 Ca 0.02 0.18 -0.51 0.00 -1.31 0.00 0.00 57.50 55.88 2pbw n TRP 251 Cb 0.45 -1.11 -0.05 0.00 -2.01 0.00 0.00 31.31 28.59 2pbw n TRP 251 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.69 174.55 2pbw n ARG 252 N -3.41 0.89 0.00 -0.99 3.00 -1.08 -4.85 116.66 110.21 2pbw n ARG 252 Ca -0.37 0.32 0.00 0.00 -0.00 0.00 0.00 57.85 57.80 2pbw n ARG 252 Cb 1.03 -1.81 0.00 0.00 0.00 0.00 0.00 32.46 31.67 2pbw n ARG 252 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2pbw n GLY 253 N 2.05 2.73 1.59 5.14 0.00 -1.26 -5.03 105.19 110.42 2pbw n GLY 253 Ca 0.17 -1.91 -0.14 0.00 0.00 0.00 0.00 46.02 44.13 2pbw n GLY 253 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pbw n ASN 254 N 0.00 3.84 -0.55 1.61 3.02 -1.26 -5.08 115.26 116.85 2pbw n ASN 254 Ca 0.00 -3.78 0.05 0.00 -0.03 0.00 0.00 54.58 50.82 2pbw n ASN 254 Cb 0.00 -0.64 -0.03 0.00 -0.61 0.00 0.00 39.78 38.51 2pbw n ASN 254 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pbw n GLY 255 N -1.01 -3.02 0.00 7.41 0.00 -1.26 -5.17 105.19 102.14 2pbw n GLY 255 Ca 0.42 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 45.19 2pbw n GLY 255 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32