#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bpm s GLU 9 N 0.00 4.12 0.85 -0.72 2.12 -1.26 -2.98 118.70 120.83 3bpm s GLU 9 Ca 0.00 0.20 -0.12 0.00 0.36 0.00 0.00 54.97 55.41 3bpm s GLU 9 Cb 0.00 -3.59 0.12 0.00 0.26 0.00 0.00 34.13 30.93 3bpm s GLU 9 CO 0.00 -0.16 1.20 0.00 -0.54 0.00 0.00 175.26 175.76 3bpm s ALA 10 N 1.68 2.62 -0.12 6.30 0.00 0.89 -4.94 121.76 128.20 3bpm s ALA 10 Ca 0.19 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.23 3bpm s ALA 10 Cb -0.15 -2.80 -0.01 0.00 0.00 0.00 0.00 23.12 20.16 3bpm s ALA 10 CO 0.09 -1.89 -0.17 1.21 0.00 0.00 0.00 175.76 175.00 3bpm s ASN 11 N -4.69 3.67 0.17 0.00 3.84 -1.26 -4.32 114.94 112.35 3bpm s ASN 11 Ca 0.66 -0.41 -0.14 0.00 0.21 0.00 0.00 52.86 53.18 3bpm s ASN 11 Cb -0.08 -1.52 0.13 0.00 -0.55 0.00 0.00 41.25 39.24 3bpm s ASN 11 CO 0.50 0.17 1.74 0.22 -2.79 0.00 0.00 177.10 176.94 3bpm h TYR 12 N 6.67 0.24 -0.17 0.43 3.20 -1.96 0.38 116.97 125.76 3bpm h TYR 12 Ca -0.24 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.63 3bpm h TYR 12 Cb 1.22 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.44 3bpm h TYR 12 CO 0.49 0.07 -0.04 0.93 -1.64 0.00 0.00 178.16 177.97 3bpm h GLU 13 N 0.30 0.26 -0.26 1.82 5.08 -1.95 0.70 114.58 120.53 3bpm h GLU 13 Ca 0.21 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.43 3bpm h GLU 13 Cb 0.23 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 3bpm h GLU 13 CO -0.23 0.32 -0.21 -0.44 -1.00 0.00 0.00 179.01 177.44 3bpm h ASP 14 N 0.25 0.63 -0.29 1.42 3.32 -1.41 -3.28 116.42 117.06 3bpm h ASP 14 Ca 0.06 -0.46 -0.17 0.00 0.02 0.00 0.00 57.03 56.48 3bpm h ASP 14 Cb 0.25 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 3bpm h ASP 14 CO 0.01 0.95 -0.47 0.58 -1.72 0.00 0.00 179.24 178.59 3bpm h VAL 15 N 0.31 1.28 -0.26 -1.35 2.07 0.13 -3.25 116.25 115.17 3bpm h VAL 15 Ca 0.05 -1.65 -0.14 0.00 0.82 0.00 0.00 66.70 65.78 3bpm h VAL 15 Cb 0.76 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 3bpm h VAL 15 CO 0.05 0.54 -0.40 -0.29 0.02 0.00 0.00 177.57 177.50 3bpm h ILE 16 N 0.68 1.30 -0.01 4.57 6.09 -1.05 -2.45 117.51 126.63 3bpm h ILE 16 Ca 0.04 -1.56 0.00 0.00 -1.37 0.00 0.00 64.86 61.97 3bpm h ILE 16 Cb 1.06 1.53 -0.00 0.00 0.47 0.00 0.00 36.82 39.88 3bpm h ILE 16 CO 0.11 0.50 0.07 0.07 -3.07 0.00 0.00 178.15 175.82 3bpm h LYS 17 N 0.50 0.00 0.06 2.19 2.10 -1.62 0.50 116.57 120.31 3bpm h LYS 17 Ca 0.04 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.38 3bpm h LYS 17 Cb 0.91 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.21 3bpm h LYS 17 CO 0.08 0.00 -1.72 -0.22 -2.00 0.00 0.00 179.45 175.59 3bpm h LYS 18 N 0.00 0.13 0.00 0.07 3.64 -1.52 -3.40 116.57 115.49 3bpm h LYS 18 Ca 0.01 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 3bpm h LYS 18 Cb 0.14 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3bpm h LYS 18 CO -0.00 0.85 -1.17 0.66 -2.27 0.00 0.00 179.45 177.52 3bpm n TYR 19 N -3.27 0.00 -3.22 1.91 4.02 -0.89 -4.89 117.16 110.82 3bpm n TYR 19 Ca -0.20 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.27 3bpm n TYR 19 Cb 1.04 -0.17 -0.08 0.00 -0.02 0.00 0.00 39.34 40.12 3bpm n TYR 19 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 3bpm s LYS 20 N -2.63 3.62 0.29 -0.72 2.20 0.12 -4.92 119.74 117.70 3bpm s LYS 20 Ca -0.00 -0.13 -0.29 0.00 -0.36 0.00 0.00 55.97 55.18 3bpm s LYS 20 Cb 0.09 -3.81 -0.13 0.00 -1.51 0.00 0.00 37.83 32.46 3bpm s LYS 20 CO 0.55 -0.67 1.20 -2.30 -0.36 0.00 0.00 175.35 173.77 3bpm n PRO 21 N 5.81 1.74 -1.66 4.03 -0.02 -1.26 -4.66 135.00 138.97 3bpm n PRO 21 Ca -0.04 0.61 -0.50 0.00 -2.02 0.00 0.00 63.50 61.55 3bpm n PRO 21 Cb 0.49 -2.12 -0.05 0.00 -0.02 0.00 0.00 33.50 31.79 3bpm n PRO 21 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3bpm n ALA 22 N 0.70 0.43 -1.47 3.55 0.00 -1.26 -0.89 120.51 121.57 3bpm n ALA 22 Ca 0.09 0.41 -0.16 0.00 0.00 0.00 0.00 53.44 53.78 3bpm n ALA 22 Cb 0.33 -2.30 -0.07 0.00 0.00 0.00 0.00 19.45 17.40 3bpm n ALA 22 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3bpm n ASP 23 N 4.34 -5.28 -4.68 0.00 8.00 -1.26 -4.97 116.55 112.70 3bpm n ASP 23 Ca 0.20 0.40 -0.43 0.00 0.71 0.00 0.00 54.79 55.67 3bpm n ASP 23 Cb 0.24 -4.21 -0.01 0.00 -0.02 0.00 0.00 41.12 37.12 3bpm n ASP 23 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3bpm n ALA 24 N 1.30 1.17 -2.65 2.24 0.00 -0.07 -4.99 120.51 117.51 3bpm n ALA 24 Ca -0.16 0.38 -0.39 0.00 0.00 0.00 0.00 53.44 53.26 3bpm n ALA 24 Cb 0.59 -2.24 -0.07 0.00 0.00 0.00 0.00 19.45 17.72 3bpm n ALA 24 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3bpm s LYS 25 N -1.50 4.14 -0.15 0.00 -0.14 -1.26 -5.03 119.74 115.80 3bpm s LYS 25 Ca 0.59 0.26 -0.29 0.00 -1.36 0.00 0.00 55.97 55.17 3bpm s LYS 25 Cb -0.60 -3.58 -0.01 0.00 -1.68 0.00 0.00 37.83 31.96 3bpm s LYS 25 CO 0.59 -0.16 1.21 -1.17 -0.76 0.00 0.00 175.35 175.06 3bpm s LEU 26 N 1.69 4.19 -0.44 3.17 2.96 -1.26 -4.98 118.68 124.00 3bpm s LEU 26 Ca 0.20 1.66 -0.29 0.00 -0.22 0.00 0.00 54.13 55.48 3bpm s LEU 26 Cb -0.15 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 43.01 3bpm s LEU 26 CO 0.09 -0.70 1.38 -0.62 -1.32 0.00 0.00 176.35 175.17 3bpm s ASP 27 N 1.73 6.34 0.00 3.68 -1.08 -1.26 -4.88 116.67 121.21 3bpm s ASP 27 Ca 0.53 0.70 0.25 0.00 -0.52 0.00 0.00 52.55 53.51 3bpm s ASP 27 Cb -0.21 -2.54 0.49 0.00 -1.46 0.00 0.00 42.92 39.20 3bpm s ASP 27 CO 0.15 -1.45 1.41 0.54 0.52 0.00 0.00 175.17 176.33 3bpm n ARG 28 N 8.13 1.37 0.11 4.34 1.74 -1.26 -4.24 116.66 126.85 3bpm n ARG 28 Ca 0.15 -0.99 -0.23 0.00 -0.77 0.00 0.00 57.85 56.02 3bpm n ARG 28 Cb 0.48 -1.48 -0.15 0.00 -1.02 0.00 0.00 32.46 30.29 3bpm n ARG 28 CO 0.00 0.00 0.00 -0.84 -1.52 0.00 0.00 177.63 175.27 3bpm h ILE 29 N 2.40 1.36 -2.22 0.55 3.07 -1.89 -3.47 117.51 117.30 3bpm h ILE 29 Ca 0.00 -2.64 -0.05 0.00 1.55 0.00 0.00 64.86 63.73 3bpm h ILE 29 Cb 0.67 3.10 -0.22 0.00 -0.27 0.00 0.00 36.82 40.09 3bpm h ILE 29 CO 0.00 0.78 -0.03 0.00 -1.05 0.00 0.00 178.15 177.85 3bpm s ALA 30 N -2.54 -1.57 -0.30 0.16 0.00 -1.26 -3.34 121.76 112.91 3bpm s ALA 30 Ca -0.11 1.93 -0.12 0.00 0.00 0.00 0.00 51.96 53.66 3bpm s ALA 30 Cb 0.03 -1.13 0.15 0.00 0.00 0.00 0.00 23.12 22.16 3bpm s ALA 30 CO 0.90 -0.32 0.83 -0.47 0.00 0.00 0.00 175.76 176.71 3bpm s TYR 31 N 0.90 -1.00 -0.19 0.00 5.04 -0.51 -4.98 117.35 116.62 3bpm s TYR 31 Ca -0.05 1.68 0.00 0.00 -2.44 0.00 0.00 57.07 56.27 3bpm s TYR 31 Cb -0.05 0.58 0.04 0.00 0.35 0.00 0.00 41.96 42.89 3bpm s TYR 31 CO -0.08 -0.50 -0.07 0.34 -1.34 0.00 0.00 175.55 173.91 3bpm s ASP 32 N 2.67 3.16 0.57 4.32 -1.08 -1.26 -0.69 116.67 124.36 3bpm s ASP 32 Ca -0.03 -0.81 0.29 0.00 -0.52 0.00 0.00 52.55 51.48 3bpm s ASP 32 Cb -0.09 -1.04 1.74 0.00 -1.46 0.00 0.00 42.92 42.07 3bpm s ASP 32 CO -0.18 -0.18 2.22 -0.50 0.52 0.00 0.00 175.17 177.04 3bpm h TRP 33 N 8.05 0.00 0.00 -5.34 4.06 -1.67 0.14 115.95 121.19 3bpm h TRP 33 Ca -0.24 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.68 3bpm h TRP 33 Cb 1.10 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.26 3bpm h TRP 33 CO 0.47 0.03 -0.12 0.00 -3.56 0.00 0.00 178.44 175.26 3bpm h ARG 34 N 0.00 0.00 -0.66 0.49 3.08 -1.91 -0.27 114.38 115.10 3bpm h ARG 34 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3bpm h ARG 34 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3bpm h ARG 34 CO 0.00 0.12 0.00 1.28 -1.07 0.00 0.00 179.97 180.30 3bpm n LEU 35 N -3.59 3.91 -1.01 3.04 4.77 0.48 -4.33 117.00 120.27 3bpm n LEU 35 Ca -0.02 -1.96 0.03 0.00 -0.03 0.00 0.00 56.01 54.03 3bpm n LEU 35 Cb 0.25 -0.49 0.02 0.00 -2.33 0.00 0.00 43.42 40.87 3bpm n LEU 35 CO 0.30 0.84 0.17 1.41 -1.33 0.00 0.00 177.39 178.77 3bpm n HIS 36 N 1.29 0.00 -1.68 -1.77 8.25 -0.19 -5.01 115.22 116.11 3bpm n HIS 36 Ca 0.23 -0.36 -0.07 0.00 -0.26 0.00 0.00 57.72 57.26 3bpm n HIS 36 Cb 0.67 -0.11 -0.02 0.00 1.12 0.00 0.00 29.99 31.65 3bpm n HIS 36 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3bpm n GLY 37 N 0.16 0.48 0.78 -1.41 0.00 -0.82 -4.94 105.19 99.45 3bpm n GLY 37 Ca 0.04 -0.67 0.07 0.00 0.00 0.00 0.00 46.02 45.46 3bpm n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bpm n GLY 38 N -1.56 3.31 2.81 -0.02 0.00 -0.75 -4.20 105.19 104.78 3bpm n GLY 38 Ca -0.07 -0.67 -0.15 0.00 0.00 0.00 0.00 46.02 45.12 3bpm n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3bpm s VAL 39 N -1.81 0.02 0.38 1.61 1.01 -1.26 -4.50 120.40 115.85 3bpm s VAL 39 Ca 0.32 0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.50 3bpm s VAL 39 Cb 0.22 -0.11 -0.00 0.00 0.00 0.00 0.00 36.38 36.49 3bpm s VAL 39 CO 0.13 0.08 0.51 0.42 0.00 0.00 0.00 175.10 176.24 3bpm s THR 40 N 0.78 3.43 0.68 3.92 -4.23 -1.26 -4.97 115.64 113.99 3bpm s THR 40 Ca -0.07 -1.04 -0.17 0.00 -1.18 0.00 0.00 61.69 59.24 3bpm s THR 40 Cb -0.10 -3.17 -0.02 0.00 1.34 0.00 0.00 72.50 70.56 3bpm s THR 40 CO -0.02 -0.07 0.92 -2.65 -0.54 0.00 0.00 174.62 172.26 3bpm n PRO 41 N -1.73 0.62 -2.26 3.99 -0.02 -1.26 -4.94 135.00 129.40 3bpm n PRO 41 Ca 0.04 0.26 -0.39 0.00 -2.02 0.00 0.00 63.50 61.39 3bpm n PRO 41 Cb 0.59 -2.16 -0.02 0.00 -0.02 0.00 0.00 33.50 31.88 3bpm n PRO 41 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3bpm s VAL 42 N -1.72 3.06 0.38 -1.45 1.01 -1.26 -5.05 120.40 115.38 3bpm s VAL 42 Ca 0.74 0.97 0.08 0.00 0.00 0.00 0.00 61.98 63.76 3bpm s VAL 42 Cb -0.37 -3.57 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 3bpm s VAL 42 CO 0.49 0.15 0.06 -0.54 0.00 0.00 0.00 175.10 175.26 3bpm s LYS 43 N -2.04 2.07 -0.20 2.72 1.02 -1.26 -4.83 119.74 117.23 3bpm s LYS 43 Ca 0.53 -1.89 0.01 0.00 0.02 0.00 0.00 55.97 54.64 3bpm s LYS 43 Cb -0.34 -1.85 0.05 0.00 -0.52 0.00 0.00 37.83 35.17 3bpm s LYS 43 CO 0.43 0.01 -0.08 0.34 -0.92 0.00 0.00 175.35 175.13 3bpm s ASP 44 N -3.76 3.35 0.00 2.83 2.15 -1.26 -1.86 116.67 118.12 3bpm s ASP 44 Ca 0.37 -0.89 0.17 0.00 0.43 0.00 0.00 52.55 52.62 3bpm s ASP 44 Cb 0.04 -1.15 0.72 0.00 -0.30 0.00 0.00 42.92 42.23 3bpm s ASP 44 CO 0.20 -0.17 1.53 0.00 -0.17 0.00 0.00 175.17 176.55 3bpm n GLN 45 N 4.73 0.02 0.00 4.34 10.64 -0.07 -4.92 117.38 132.12 3bpm n GLN 45 Ca -0.14 0.21 0.00 0.00 -1.83 0.00 0.00 57.00 55.24 3bpm n GLN 45 Cb 0.46 -1.50 0.00 0.00 -0.86 0.00 0.00 30.24 28.34 3bpm n GLN 45 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3bpm n ALA 46 N -1.48 0.00 -2.61 2.61 0.00 -1.26 -3.77 120.51 114.00 3bpm n ALA 46 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 3bpm n ALA 46 Cb 0.19 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.65 3bpm n ALA 46 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3bpm n LEU 47 N 0.00 6.93 -3.64 0.00 7.94 -1.26 -4.81 117.00 122.16 3bpm n LEU 47 Ca 0.00 -5.06 -0.09 0.00 -1.11 0.00 0.00 56.01 49.75 3bpm n LEU 47 Cb 0.00 -1.32 -0.07 0.00 0.53 0.00 0.00 43.42 42.57 3bpm n LEU 47 CO 0.00 1.74 0.47 0.00 -1.11 0.00 0.00 177.39 178.50 3bpm n GLY 49 N 3.42 3.82 1.87 0.00 0.00 -0.28 -4.61 105.19 109.42 3bpm n GLY 49 Ca -0.17 -1.50 -0.06 0.00 0.00 0.00 0.00 46.02 44.29 3bpm n GLY 49 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3bpm n SER 50 N 2.44 4.52 -0.28 1.61 3.41 -1.26 -2.55 113.62 121.51 3bpm n SER 50 Ca 0.56 -3.28 0.15 0.00 -0.26 0.00 0.00 58.87 56.04 3bpm n SER 50 Cb 0.59 -0.73 0.42 0.00 -0.26 0.00 0.00 64.21 64.24 3bpm n SER 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3bpm h TRP 52 N 0.58 0.59 0.01 0.00 5.08 -1.83 0.38 115.95 120.76 3bpm h TRP 52 Ca 0.49 0.02 -0.05 0.00 1.08 0.00 0.00 58.89 60.42 3bpm h TRP 52 Cb 0.96 -0.19 0.00 0.00 -3.00 0.00 0.00 29.16 26.93 3bpm h TRP 52 CO -0.00 0.28 -0.19 0.00 -1.28 0.00 0.00 178.44 177.25 3bpm h ALA 53 N 1.65 0.02 -0.83 0.11 0.00 -1.17 -2.31 119.26 116.73 3bpm h ALA 53 Ca 0.31 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3bpm h ALA 53 Cb 0.48 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3bpm h ALA 53 CO -0.10 0.04 0.45 0.74 0.00 0.00 0.00 179.25 180.38 3bpm h PHE 54 N -0.62 1.15 0.40 0.00 -1.00 -0.78 0.54 116.94 116.64 3bpm h PHE 54 Ca -0.03 -0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.70 3bpm h PHE 54 Cb 0.98 -0.37 0.00 0.00 3.61 0.00 0.00 35.95 40.18 3bpm h PHE 54 CO 0.20 0.81 -0.19 1.03 -1.61 0.00 0.00 178.31 178.54 3bpm h SER 55 N 1.16 -0.46 -0.33 2.17 0.87 -1.04 0.21 113.55 116.12 3bpm h SER 55 Ca 0.29 -0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.73 3bpm h SER 55 Cb 0.04 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 3bpm h SER 55 CO -0.05 -0.18 0.09 0.77 -0.53 0.00 0.00 176.83 176.94 3bpm h SER 56 N -0.74 0.50 -0.35 6.23 4.64 -1.00 -2.05 113.55 120.78 3bpm h SER 56 Ca -0.06 -0.23 -0.11 0.00 -0.47 0.00 0.00 61.79 60.93 3bpm h SER 56 Cb 0.52 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 3bpm h SER 56 CO 0.09 0.60 -0.21 0.58 -0.87 0.00 0.00 176.83 177.02 3bpm h VAL 57 N 0.39 1.29 -0.71 0.95 2.07 0.06 -2.72 116.25 117.57 3bpm h VAL 57 Ca 0.11 -1.35 0.00 0.00 0.82 0.00 0.00 66.70 66.28 3bpm h VAL 57 Cb 0.29 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 3bpm h VAL 57 CO 0.00 0.44 0.46 1.23 0.02 0.00 0.00 177.57 179.72 3bpm h GLY 58 N 0.55 1.00 -0.91 2.17 0.00 -0.60 -0.16 103.07 105.13 3bpm h GLY 58 Ca 0.07 -0.39 0.16 0.00 0.00 0.00 0.00 47.33 47.18 3bpm h GLY 58 CO 0.06 0.38 -0.29 1.44 0.00 0.00 0.00 176.54 178.13 3bpm n SER 59 N -4.58 -0.45 -0.06 0.19 7.64 -0.77 -0.13 113.62 115.46 3bpm n SER 59 Ca 0.06 1.57 -0.15 0.00 1.01 0.00 0.00 58.87 61.37 3bpm n SER 59 Cb 0.03 -0.42 -0.06 0.00 -1.01 0.00 0.00 64.21 62.75 3bpm n SER 59 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3bpm h VAL 60 N 0.00 1.31 -0.62 0.44 2.07 -0.99 -0.97 116.25 117.49 3bpm h VAL 60 Ca 0.38 -1.68 0.11 0.00 0.82 0.00 0.00 66.70 66.33 3bpm h VAL 60 Cb 0.61 1.81 -0.08 0.00 -1.52 0.00 0.00 31.29 32.10 3bpm h VAL 60 CO -0.92 0.53 0.17 -0.33 0.02 0.00 0.00 177.57 177.04 3bpm h GLU 61 N 0.42 0.30 -0.25 1.57 5.08 -0.64 -1.03 114.58 120.03 3bpm h GLU 61 Ca 0.01 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3bpm h GLU 61 Cb 1.07 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 3bpm h GLU 61 CO 0.10 0.20 0.13 0.77 -1.00 0.00 0.00 179.01 179.22 3bpm h SER 62 N 0.31 0.31 -0.87 1.42 0.02 -0.32 -1.33 113.55 113.10 3bpm h SER 62 Ca 0.32 -0.09 0.05 0.00 -0.84 0.00 0.00 61.79 61.23 3bpm h SER 62 Cb 0.46 -0.08 -0.06 0.00 0.14 0.00 0.00 62.40 62.86 3bpm h SER 62 CO -0.38 0.31 0.55 1.56 -1.14 0.00 0.00 176.83 177.73 3bpm h GLN 63 N 0.29 0.99 -0.03 3.45 1.08 -0.62 -1.83 115.11 118.44 3bpm h GLN 63 Ca 0.09 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.23 3bpm h GLN 63 Cb 0.07 -0.22 -0.00 0.00 -0.05 0.00 0.00 27.48 27.28 3bpm h GLN 63 CO -0.01 0.66 0.02 1.88 -0.95 0.00 0.00 178.83 180.42 3bpm h TYR 64 N 1.02 0.04 -0.56 2.96 -1.99 -0.99 -1.16 116.97 116.30 3bpm h TYR 64 Ca 0.36 -0.00 0.09 0.00 2.00 0.00 0.00 58.73 61.18 3bpm h TYR 64 Cb 0.11 -0.01 -0.07 0.00 2.00 0.00 0.00 36.73 38.75 3bpm h TYR 64 CO -0.03 0.10 0.18 0.00 -0.00 0.00 0.00 178.16 178.41 3bpm h ALA 65 N 0.94 0.69 -0.28 3.88 0.00 -0.83 0.75 119.26 124.41 3bpm h ALA 65 Ca 0.01 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3bpm h ALA 65 Cb 0.07 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3bpm h ALA 65 CO -0.00 -0.24 -0.16 0.82 0.00 0.00 0.00 179.25 179.67 3bpm h ILE 66 N 0.34 1.30 0.00 0.00 2.04 -1.18 -0.37 117.51 119.64 3bpm h ILE 66 Ca 0.28 -1.27 -0.10 0.00 1.00 0.00 0.00 64.86 64.77 3bpm h ILE 66 Cb 0.36 1.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.95 3bpm h ILE 66 CO -0.31 0.40 -0.80 0.03 0.00 0.00 0.00 178.15 177.47 3bpm h ARG 67 N 0.34 0.00 -0.00 2.37 2.47 -0.97 -3.36 114.38 115.23 3bpm h ARG 67 Ca 0.06 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 3bpm h ARG 67 Cb 0.69 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.01 3bpm h ARG 67 CO 0.05 0.29 -0.02 1.63 0.56 0.00 0.00 179.97 182.48 3bpm n LYS 68 N -3.02 0.88 -4.11 0.04 5.02 0.24 -5.01 118.16 112.20 3bpm n LYS 68 Ca -0.02 -0.46 -0.30 0.00 -2.02 0.00 0.00 58.31 55.51 3bpm n LYS 68 Cb 0.71 -0.93 -0.04 0.00 -0.02 0.00 0.00 35.03 34.76 3bpm n LYS 68 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3bpm n LYS 69 N -0.16 -2.78 -3.80 1.97 4.76 -0.15 -4.96 118.16 113.03 3bpm n LYS 69 Ca 0.01 0.33 -0.12 0.00 -2.87 0.00 0.00 58.31 55.66 3bpm n LYS 69 Cb 0.04 -4.54 -0.10 0.00 -1.84 0.00 0.00 35.03 28.59 3bpm n LYS 69 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3bpm s ALA 70 N -3.82 -0.58 -0.31 7.82 0.00 -1.24 -5.08 121.76 118.56 3bpm s ALA 70 Ca 0.24 0.35 -0.25 0.00 0.00 0.00 0.00 51.96 52.30 3bpm s ALA 70 Cb -0.13 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.88 3bpm s ALA 70 CO 0.92 -0.19 0.88 -1.17 0.00 0.00 0.00 175.76 176.21 3bpm s LEU 71 N -0.74 4.05 -0.13 0.00 2.96 -1.26 -3.91 118.68 119.64 3bpm s LEU 71 Ca -0.08 0.81 0.01 0.00 -0.22 0.00 0.00 54.13 54.64 3bpm s LEU 71 Cb -0.05 -3.23 -0.01 0.00 0.50 0.00 0.00 46.19 43.41 3bpm s LEU 71 CO 0.02 -0.69 -0.16 -0.36 -1.32 0.00 0.00 176.35 173.84 3bpm s PHE 72 N 3.16 2.74 -0.25 5.38 0.40 -1.26 -5.08 117.98 123.07 3bpm s PHE 72 Ca 0.36 -0.90 -0.05 0.00 -0.60 0.00 0.00 56.93 55.75 3bpm s PHE 72 Cb -0.14 -1.83 -0.00 0.00 0.51 0.00 0.00 43.02 41.56 3bpm s PHE 72 CO 0.13 -0.37 0.00 -0.51 0.70 0.00 0.00 175.22 175.17 3bpm s LEU 73 N 0.55 3.23 0.37 -0.37 1.43 -1.26 -4.78 118.68 117.85 3bpm s LEU 73 Ca -0.10 -0.49 0.08 0.00 -1.03 0.00 0.00 54.13 52.58 3bpm s LEU 73 Cb -0.16 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 3bpm s LEU 73 CO 0.04 -0.07 0.24 -0.36 0.23 0.00 0.00 176.35 176.43 3bpm s PHE 74 N 1.49 2.74 -0.48 0.29 2.99 -1.26 -0.84 117.98 122.91 3bpm s PHE 74 Ca 0.04 -0.42 -0.17 0.00 0.00 0.00 0.00 56.93 56.38 3bpm s PHE 74 Cb -0.15 -1.86 0.06 0.00 0.00 0.00 0.00 43.02 41.06 3bpm s PHE 74 CO -0.01 0.16 0.47 0.45 -0.00 0.00 0.00 175.22 176.29 3bpm s SER 75 N -3.96 6.18 0.31 1.36 0.15 -0.37 -4.13 113.70 113.24 3bpm s SER 75 Ca 0.42 -1.09 -0.01 0.00 0.70 0.00 0.00 55.95 55.97 3bpm s SER 75 Cb -0.02 -2.22 0.50 0.00 -1.71 0.00 0.00 66.02 62.57 3bpm s SER 75 CO 0.25 -0.71 1.98 -0.33 1.20 0.00 0.00 173.24 175.62 3bpm h GLU 76 N 8.83 1.01 -0.25 5.44 3.07 -1.91 -3.14 114.58 127.63 3bpm h GLU 76 Ca -0.28 -0.06 -0.05 0.00 -0.50 0.00 0.00 59.36 58.47 3bpm h GLU 76 Cb 1.11 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 28.77 3bpm h GLU 76 CO 0.89 0.67 -0.07 0.37 -1.40 0.00 0.00 179.01 179.47 3bpm h GLN 77 N 1.04 0.39 -0.64 2.33 5.75 -1.85 -0.08 115.11 122.06 3bpm h GLN 77 Ca 0.29 -0.09 0.07 0.00 -0.15 0.00 0.00 58.65 58.77 3bpm h GLN 77 Cb -0.10 -0.05 -0.06 0.00 1.07 0.00 0.00 27.48 28.33 3bpm h GLN 77 CO -0.07 0.47 0.32 1.49 -2.65 0.00 0.00 178.83 178.40 3bpm h GLU 78 N 0.37 0.56 -0.29 1.69 4.81 -1.79 0.06 114.58 119.99 3bpm h GLU 78 Ca 0.08 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.16 3bpm h GLU 78 Cb 0.36 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 3bpm h GLU 78 CO 0.02 0.37 -0.26 -0.07 -0.73 0.00 0.00 179.01 178.34 3bpm h LEU 79 N 0.58 0.73 -0.45 1.64 3.38 -1.16 0.20 115.31 120.23 3bpm h LEU 79 Ca 0.30 -0.46 0.07 0.00 0.09 0.00 0.00 57.88 57.89 3bpm h LEU 79 Cb 0.27 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 3bpm h LEU 79 CO -0.23 1.04 0.08 0.58 0.09 0.00 0.00 178.44 180.01 3bpm h VAL 80 N 0.44 0.74 -0.17 1.22 2.07 -0.82 0.27 116.25 120.00 3bpm h VAL 80 Ca 0.05 -0.07 -0.16 0.00 0.82 0.00 0.00 66.70 67.33 3bpm h VAL 80 Cb 0.82 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 3bpm h VAL 80 CO 0.07 0.04 -0.57 0.44 0.02 0.00 0.00 177.57 177.56 3bpm h ASP 81 N 0.21 0.61 0.00 0.57 5.19 -0.90 -3.37 116.42 118.73 3bpm h ASP 81 Ca 0.22 -0.34 -0.14 0.00 -0.62 0.00 0.00 57.03 56.16 3bpm h ASP 81 Cb 0.29 -0.18 -0.03 0.00 0.18 0.00 0.00 39.33 39.60 3bpm h ASP 81 CO -0.30 1.05 -1.66 0.00 -3.12 0.00 0.00 179.24 175.21 3bpm s SER 83 N -4.00 5.34 0.50 0.00 0.15 0.92 -4.81 113.70 111.79 3bpm s SER 83 Ca -0.05 -0.29 0.25 0.00 0.70 0.00 0.00 55.95 56.56 3bpm s SER 83 Cb 0.04 -2.55 1.30 0.00 -1.71 0.00 0.00 66.02 63.11 3bpm s SER 83 CO 0.44 -2.46 2.02 -0.37 1.20 0.00 0.00 173.24 174.07 3bpm h VAL 84 N 7.01 0.67 0.00 4.45 -1.51 -1.90 -2.38 116.25 122.59 3bpm h VAL 84 Ca -0.07 -0.65 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 3bpm h VAL 84 Cb 1.07 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 31.64 3bpm h VAL 84 CO 1.23 0.15 0.00 0.29 -1.23 0.00 0.00 177.57 178.01 3bpm n LYS 85 N -3.72 0.42 -4.67 5.19 5.02 -1.26 -4.82 118.16 114.32 3bpm n LYS 85 Ca -0.02 0.06 -0.30 0.00 -2.02 0.00 0.00 58.31 56.03 3bpm n LYS 85 Cb 0.27 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.71 3bpm n LYS 85 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3bpm s ASN 86 N -2.35 3.60 -0.41 4.39 0.01 -0.90 -4.81 114.94 114.47 3bpm s ASN 86 Ca 0.23 -1.71 0.04 0.00 -0.71 0.00 0.00 52.86 50.72 3bpm s ASN 86 Cb 0.14 0.63 0.45 0.00 0.41 0.00 0.00 41.25 42.87 3bpm s ASN 86 CO 0.28 -0.94 1.41 0.59 -1.51 0.00 0.00 177.10 176.92 3bpm n ASN 87 N -1.37 5.65 0.00 -1.22 4.13 -0.37 -4.95 115.26 117.13 3bpm n ASN 87 Ca -0.15 -3.76 0.00 0.00 1.68 0.00 0.00 54.58 52.36 3bpm n ASN 87 Cb 0.66 -0.52 0.00 0.00 -1.54 0.00 0.00 39.78 38.38 3bpm n ASN 87 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3bpm n GLY 88 N -0.74 2.90 0.20 7.41 0.00 -1.26 0.75 105.19 114.45 3bpm n GLY 88 Ca 0.48 0.30 0.10 0.00 0.00 0.00 0.00 46.02 46.91 3bpm n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bpm n TYR 90 N -0.40 1.78 0.00 0.00 4.02 0.23 -1.13 117.16 121.66 3bpm n TYR 90 Ca 0.16 -1.90 0.00 0.00 -0.01 0.00 0.00 57.90 56.15 3bpm n TYR 90 Cb 0.17 -0.63 0.00 0.00 -0.02 0.00 0.00 39.34 38.86 3bpm n TYR 90 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3bpm n GLY 91 N -1.05 0.47 0.00 2.72 0.00 -1.06 -4.73 105.19 101.55 3bpm n GLY 91 Ca 0.41 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.65 3bpm n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bpm n GLY 92 N 0.59 2.32 3.00 -0.02 0.00 -1.26 -1.24 105.19 108.59 3bpm n GLY 92 Ca 0.00 -0.72 -0.19 0.00 0.00 0.00 0.00 46.02 45.11 3bpm n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bpm s TYR 93 N -2.86 0.83 0.11 1.61 1.51 -1.26 -4.88 117.35 112.41 3bpm s TYR 93 Ca 0.00 -0.18 -0.21 0.00 -1.01 0.00 0.00 57.07 55.66 3bpm s TYR 93 Cb 0.00 -0.57 -0.10 0.00 -0.11 0.00 0.00 41.96 41.17 3bpm s TYR 93 CO 0.00 -0.05 1.74 0.82 -1.11 0.00 0.00 175.55 176.95 3bpm h ILE 94 N 5.17 0.98 -0.40 2.71 2.04 -1.99 0.10 117.51 126.12 3bpm h ILE 94 Ca -0.32 -0.03 -0.08 0.00 1.00 0.00 0.00 64.86 65.44 3bpm h ILE 94 Cb 1.18 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 3bpm h ILE 94 CO 0.49 0.01 -0.05 0.71 0.00 0.00 0.00 178.15 179.31 3bpm h THR 95 N 0.07 1.27 -0.75 -0.27 1.35 -1.98 -1.55 112.91 111.05 3bpm h THR 95 Ca 0.04 -1.11 0.08 0.00 -0.55 0.00 0.00 66.41 64.87 3bpm h THR 95 Cb 0.02 1.18 -0.05 0.00 -1.73 0.00 0.00 68.15 67.57 3bpm h THR 95 CO -0.04 0.37 0.49 0.78 -0.25 0.00 0.00 175.52 176.88 3bpm h ASN 96 N 0.56 0.66 -0.46 5.36 4.21 -1.86 0.19 115.58 124.24 3bpm h ASN 96 Ca 0.11 0.01 -0.04 0.00 1.21 0.00 0.00 56.30 57.59 3bpm h ASN 96 Cb 0.55 -0.13 -0.02 0.00 -1.12 0.00 0.00 38.32 37.60 3bpm h ASN 96 CO 0.03 0.41 0.14 0.00 -1.29 0.00 0.00 177.43 176.72 3bpm h ALA 97 N 1.60 0.61 -0.33 -0.83 0.00 -0.04 -2.15 119.26 118.12 3bpm h ALA 97 Ca 0.34 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 3bpm h ALA 97 Cb 0.34 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3bpm h ALA 97 CO -0.12 0.26 -0.22 0.74 0.00 0.00 0.00 179.25 179.91 3bpm h PHE 98 N 0.61 0.85 -0.44 0.00 0.04 -0.10 -1.84 116.94 116.06 3bpm h PHE 98 Ca 0.15 -0.23 0.08 0.00 2.80 0.00 0.00 57.97 60.76 3bpm h PHE 98 Cb 0.27 -0.19 -0.06 0.00 2.20 0.00 0.00 35.95 38.17 3bpm h PHE 98 CO 0.01 0.96 0.05 -0.44 -0.60 0.00 0.00 178.31 178.30 3bpm h ASP 99 N 0.50 -0.07 0.36 2.17 3.32 -0.62 -2.18 116.42 119.91 3bpm h ASP 99 Ca 0.07 0.09 -0.11 0.00 0.02 0.00 0.00 57.03 57.09 3bpm h ASP 99 Cb 0.77 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 3bpm h ASP 99 CO 0.06 -0.00 -0.48 0.44 -1.72 0.00 0.00 179.24 177.54 3bpm h ASP 100 N 0.18 0.15 -0.76 6.45 3.45 -1.22 0.23 116.42 124.91 3bpm h ASP 100 Ca 0.22 -0.07 0.04 0.00 0.43 0.00 0.00 57.03 57.65 3bpm h ASP 100 Cb 0.30 -0.04 -0.04 0.00 -0.56 0.00 0.00 39.33 38.98 3bpm h ASP 100 CO -0.32 0.61 0.50 0.24 -1.57 0.00 0.00 179.24 178.70 3bpm h MET 101 N 0.12 0.88 0.00 3.56 2.86 -0.72 0.22 114.93 121.85 3bpm h MET 101 Ca 0.01 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 3bpm h MET 101 Cb 0.89 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.35 3bpm h MET 101 CO 0.07 0.58 -0.03 0.82 1.06 0.00 0.00 176.91 179.41 3bpm h ILE 102 N 0.90 1.72 -0.08 -1.22 2.04 -0.95 0.13 117.51 120.04 3bpm h ILE 102 Ca 0.31 -2.14 -0.08 0.00 1.00 0.00 0.00 64.86 63.94 3bpm h ILE 102 Cb 0.08 3.17 -0.01 0.00 -0.74 0.00 0.00 36.82 39.32 3bpm h ILE 102 CO -0.09 0.56 -0.32 0.44 0.00 0.00 0.00 178.15 178.73 3bpm h ASP 103 N -0.88 0.16 0.62 1.72 3.32 -0.41 -2.13 116.42 118.82 3bpm h ASP 103 Ca -0.00 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3bpm h ASP 103 Cb 0.93 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.44 3bpm h ASP 103 CO 0.01 0.48 0.00 0.18 -1.72 0.00 0.00 179.24 178.19 3bpm n LEU 104 N -4.11 0.00 0.00 1.55 4.77 0.05 -4.90 117.00 114.36 3bpm n LEU 104 Ca -0.01 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 3bpm n LEU 104 Cb 0.40 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 3bpm n LEU 104 CO 0.40 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.93 3bpm n GLY 105 N 0.57 0.57 0.00 -0.72 0.00 -0.80 -5.00 105.19 99.81 3bpm n GLY 105 Ca 0.06 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3bpm n GLY 105 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bpm n GLY 106 N -1.52 2.35 3.82 -0.02 0.00 0.45 -4.61 105.19 105.67 3bpm n GLY 106 Ca 0.00 -2.06 -0.32 0.00 0.00 0.00 0.00 46.02 43.64 3bpm n GLY 106 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3bpm s LEU 107 N 0.00 3.44 0.33 0.99 1.43 0.14 -4.74 118.68 120.27 3bpm s LEU 107 Ca 0.00 1.66 0.05 0.00 -1.03 0.00 0.00 54.13 54.82 3bpm s LEU 107 Cb 0.00 -4.51 -0.01 0.00 0.03 0.00 0.00 46.19 41.69 3bpm s LEU 107 CO 0.00 -1.01 0.47 0.00 0.23 0.00 0.00 176.35 176.04 3bpm s SER 109 N -4.13 6.45 0.42 0.00 1.04 -1.26 -1.23 113.70 114.98 3bpm s SER 109 Ca 0.43 2.26 0.17 0.00 0.48 0.00 0.00 55.95 59.29 3bpm s SER 109 Cb -0.09 -2.60 1.07 0.00 0.10 0.00 0.00 66.02 64.49 3bpm s SER 109 CO 0.32 -0.72 1.88 -0.61 0.98 0.00 0.00 173.24 175.08 3bpm h GLN 110 N 2.39 0.40 -0.78 4.02 4.15 -1.14 -2.01 115.11 122.15 3bpm h GLN 110 Ca -0.49 -0.02 -0.05 0.00 0.77 0.00 0.00 58.65 58.86 3bpm h GLN 110 Cb 1.23 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.80 3bpm h GLN 110 CO 0.62 0.27 0.28 -0.44 -1.93 0.00 0.00 178.83 177.62 3bpm h ASP 111 N 0.41 1.10 0.65 -0.69 3.32 -1.92 -2.35 116.42 116.95 3bpm h ASP 111 Ca 0.43 -0.19 -0.13 0.00 0.02 0.00 0.00 57.03 57.16 3bpm h ASP 111 Cb 1.05 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 40.29 3bpm h ASP 111 CO -0.15 0.99 -0.64 0.44 -1.72 0.00 0.00 179.24 178.16 3bpm h ASP 112 N 1.15 0.00 -1.70 6.45 3.32 -1.70 -3.40 116.42 120.54 3bpm h ASP 112 Ca 0.26 0.00 -0.46 0.00 0.02 0.00 0.00 57.03 56.85 3bpm h ASP 112 Cb 0.26 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 39.49 3bpm h ASP 112 CO -0.02 0.64 -0.87 0.00 -1.72 0.00 0.00 179.24 177.27 3bpm n TYR 113 N -3.77 -1.58 -1.32 4.55 -0.00 -0.99 -4.77 117.16 109.27 3bpm n TYR 113 Ca -0.01 -2.85 -0.30 0.00 -0.00 0.00 0.00 57.90 54.74 3bpm n TYR 113 Cb 0.64 0.46 0.12 0.00 -0.00 0.00 0.00 39.34 40.55 3bpm n TYR 113 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.86 174.72 3bpm s PRO 114 N -0.11 1.60 0.23 2.98 0.02 -0.90 -4.53 135.00 134.29 3bpm s PRO 114 Ca 0.33 0.79 -0.30 0.00 0.02 0.00 0.00 61.00 61.84 3bpm s PRO 114 Cb 0.10 -1.85 -0.09 0.00 0.02 0.00 0.00 34.50 32.68 3bpm s PRO 114 CO -0.15 -2.00 1.01 -0.47 -0.33 0.00 0.00 177.00 175.05 3bpm s TYR 115 N -3.00 3.81 0.00 6.54 5.04 -1.26 -4.72 117.35 123.75 3bpm s TYR 115 Ca 0.62 1.80 0.00 0.00 -2.44 0.00 0.00 57.07 57.06 3bpm s TYR 115 Cb -0.17 -3.11 0.00 0.00 0.35 0.00 0.00 41.96 39.03 3bpm s TYR 115 CO 0.56 0.02 0.55 1.55 -1.34 0.00 0.00 175.55 176.89 3bpm n VAL 116 N 1.69 0.25 0.00 3.14 3.14 -1.26 -5.09 118.33 120.20 3bpm n VAL 116 Ca -0.01 -0.29 0.00 0.00 -2.96 0.00 0.00 64.34 61.09 3bpm n VAL 116 Cb 0.47 1.03 0.00 0.00 -1.06 0.00 0.00 33.84 34.28 3bpm n VAL 116 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 3bpm n SER 117 N -0.13 0.00 -1.18 6.55 2.88 -1.26 -2.06 113.62 118.42 3bpm n SER 117 Ca 0.00 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.64 3bpm n SER 117 Cb 0.36 0.00 0.28 0.00 -0.75 0.00 0.00 64.21 64.10 3bpm n SER 117 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3bpm n ASN 118 N 6.09 3.42 -4.68 -3.46 0.23 -1.26 -4.88 115.26 110.71 3bpm n ASN 118 Ca 0.00 -2.02 -0.42 0.00 -0.53 0.00 0.00 54.58 51.61 3bpm n ASN 118 Cb 0.00 -0.43 -0.03 0.00 -2.08 0.00 0.00 39.78 37.24 3bpm n ASN 118 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 3bpm s LEU 119 N -1.03 4.37 0.21 -4.53 1.43 -0.88 -4.94 118.68 113.31 3bpm s LEU 119 Ca 0.42 2.48 -0.32 0.00 -1.03 0.00 0.00 54.13 55.68 3bpm s LEU 119 Cb 0.22 -3.56 -0.14 0.00 0.03 0.00 0.00 46.19 42.75 3bpm s LEU 119 CO 0.28 -0.91 1.42 -2.65 0.23 0.00 0.00 176.35 174.72 3bpm n PRO 120 N 5.94 1.95 -3.73 1.29 -0.02 -1.26 -4.97 135.00 134.19 3bpm n PRO 120 Ca 0.16 0.70 -0.12 0.00 -2.02 0.00 0.00 63.50 62.22 3bpm n PRO 120 Cb 0.41 -2.36 -0.13 0.00 -0.02 0.00 0.00 33.50 31.40 3bpm n PRO 120 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3bpm s GLU 121 N -0.11 0.23 0.38 -0.52 2.12 -1.26 -5.14 118.70 114.40 3bpm s GLU 121 Ca 0.71 0.54 -0.27 0.00 0.36 0.00 0.00 54.97 56.32 3bpm s GLU 121 Cb -0.68 -0.10 -0.11 0.00 0.26 0.00 0.00 34.13 33.50 3bpm s GLU 121 CO 0.47 -0.15 1.24 2.41 -0.54 0.00 0.00 175.26 178.69 3bpm n THR 122 N 4.15 2.24 -2.37 -1.70 -1.04 -1.26 -4.78 114.28 109.52 3bpm n THR 122 Ca -0.24 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 60.85 3bpm n THR 122 Cb 0.54 -1.51 -0.03 0.00 -1.82 0.00 0.00 70.33 67.51 3bpm n THR 122 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3bpm s ASN 124 N 0.66 -1.33 0.45 0.00 3.84 -1.26 -5.02 114.94 112.27 3bpm s ASN 124 Ca 0.57 -0.94 0.25 0.00 0.21 0.00 0.00 52.86 52.95 3bpm s ASN 124 Cb -0.32 1.85 0.81 0.00 -0.55 0.00 0.00 41.25 43.04 3bpm s ASN 124 CO 0.32 -0.16 1.77 -0.07 -2.79 0.00 0.00 177.10 176.17 3bpm h LEU 125 N 6.80 0.00 -1.35 3.21 3.38 -1.96 -2.93 115.31 122.46 3bpm h LEU 125 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3bpm h LEU 125 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3bpm h LEU 125 CO 0.10 0.16 0.30 0.11 0.09 0.00 0.00 178.44 179.21 3bpm h LYS 126 N 0.00 0.00 -0.01 1.13 1.57 -2.01 0.58 116.57 117.83 3bpm h LYS 126 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3bpm h LYS 126 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.13 3bpm h LYS 126 CO 0.02 0.00 -0.06 2.89 -0.57 0.00 0.00 179.45 181.73 3bpm n ARG 127 N -2.41 1.15 -3.47 3.15 1.85 -1.11 -4.77 116.66 111.05 3bpm n ARG 127 Ca -0.01 -0.50 -0.38 0.00 -1.00 0.00 0.00 57.85 55.96 3bpm n ARG 127 Cb 0.34 -1.49 -0.08 0.00 -1.05 0.00 0.00 32.46 30.17 3bpm n ARG 127 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3bpm n ASN 129 N 4.50 0.00 -4.79 0.00 3.02 -1.26 -4.92 115.26 111.81 3bpm n ASN 129 Ca -0.10 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.09 3bpm n ASN 129 Cb 0.51 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.63 3bpm n ASN 129 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3bpm s GLU 130 N 0.00 4.23 0.09 3.52 2.12 -1.26 -5.05 118.70 122.35 3bpm s GLU 130 Ca 0.00 1.35 0.09 0.00 0.36 0.00 0.00 54.97 56.77 3bpm s GLU 130 Cb 0.00 -2.45 -0.03 0.00 0.26 0.00 0.00 34.13 31.91 3bpm s GLU 130 CO 0.00 -0.05 -0.23 1.03 -0.54 0.00 0.00 175.26 175.47 3bpm s ARG 131 N -2.66 1.30 -0.19 4.30 1.81 -1.26 -4.37 118.95 117.88 3bpm s ARG 131 Ca 0.58 -1.15 -0.02 0.00 -1.72 0.00 0.00 55.73 53.42 3bpm s ARG 131 Cb -0.17 -1.58 0.06 0.00 -0.45 0.00 0.00 34.95 32.81 3bpm s ARG 131 CO 0.22 0.38 0.03 0.71 -0.68 0.00 0.00 175.30 175.96 3bpm s TYR 132 N -1.03 1.12 0.21 -0.53 2.02 -0.11 -4.93 117.35 114.10 3bpm s TYR 132 Ca 0.09 -0.89 -0.01 0.00 -0.37 0.00 0.00 57.07 55.89 3bpm s TYR 132 Cb -0.10 -1.06 -0.04 0.00 -0.40 0.00 0.00 41.96 40.36 3bpm s TYR 132 CO 0.04 -0.61 0.40 0.99 -1.57 0.00 0.00 175.55 174.81 3bpm s THR 133 N 1.83 5.19 0.20 -0.71 2.01 -1.26 0.26 115.64 123.15 3bpm s THR 133 Ca -0.01 -0.34 0.11 0.00 0.31 0.00 0.00 61.69 61.77 3bpm s THR 133 Cb -0.17 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 3bpm s THR 133 CO -0.08 -0.19 -0.24 0.27 -0.69 0.00 0.00 174.62 173.70 3bpm s ILE 134 N -1.89 2.37 -0.08 1.82 -4.36 -1.26 -4.91 121.20 112.90 3bpm s ILE 134 Ca 0.39 -2.04 -0.01 0.00 -0.26 0.00 0.00 60.65 58.73 3bpm s ILE 134 Cb -0.11 -2.14 -0.26 0.00 1.25 0.00 0.00 42.46 41.20 3bpm s ILE 134 CO 0.29 -0.12 0.54 0.50 0.24 0.00 0.00 174.94 176.38 3bpm h LYS 135 N 3.17 0.20 0.00 0.37 1.63 -1.40 -3.46 116.57 117.08 3bpm h LYS 135 Ca -0.46 -0.33 0.08 0.00 -0.85 0.00 0.00 60.65 59.08 3bpm h LYS 135 Cb 1.21 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.95 3bpm h LYS 135 CO 0.48 1.00 0.30 -1.13 -3.45 0.00 0.00 179.45 176.66 3bpm n SER 136 N -3.36 -0.90 -3.89 4.20 3.41 -1.12 -5.00 113.62 106.97 3bpm n SER 136 Ca -0.25 -1.47 -0.09 0.00 -0.26 0.00 0.00 58.87 56.80 3bpm n SER 136 Cb 1.05 1.46 -0.08 0.00 -0.26 0.00 0.00 64.21 66.38 3bpm n SER 136 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3bpm s TYR 137 N -4.03 0.18 -0.03 7.33 1.13 -1.16 -0.20 117.35 120.59 3bpm s TYR 137 Ca 0.12 -0.59 0.01 0.00 -1.41 0.00 0.00 57.07 55.20 3bpm s TYR 137 Cb -0.01 -0.10 0.01 0.00 -1.10 0.00 0.00 41.96 40.76 3bpm s TYR 137 CO 0.03 -0.50 -0.05 0.54 -2.51 0.00 0.00 175.55 173.06 3bpm s VAL 138 N -3.63 0.48 0.19 -3.49 0.11 -0.41 -0.08 120.40 113.56 3bpm s VAL 138 Ca 0.03 -0.16 -0.30 0.00 -2.93 0.00 0.00 61.98 58.62 3bpm s VAL 138 Cb 0.04 -0.47 -0.08 0.00 -1.53 0.00 0.00 36.38 34.34 3bpm s VAL 138 CO -0.10 0.18 1.10 -0.55 -3.33 0.00 0.00 175.10 172.41 3bpm s SER 139 N 0.48 7.26 -0.29 3.54 0.15 -1.26 -1.68 113.70 121.90 3bpm s SER 139 Ca -0.06 2.11 -0.09 0.00 0.70 0.00 0.00 55.95 58.61 3bpm s SER 139 Cb -0.10 -2.61 -0.02 0.00 -1.71 0.00 0.00 66.02 61.59 3bpm s SER 139 CO -0.00 -0.22 0.13 -0.63 1.20 0.00 0.00 173.24 173.72 3bpm s ILE 140 N -0.31 4.59 0.65 6.45 1.01 0.56 -4.45 121.20 129.70 3bpm s ILE 140 Ca 0.49 -0.30 -0.17 0.00 0.00 0.00 0.00 60.65 60.67 3bpm s ILE 140 Cb -0.30 -3.27 -0.01 0.00 0.01 0.00 0.00 42.46 38.90 3bpm s ILE 140 CO 0.35 0.16 1.24 -2.84 0.00 0.00 0.00 174.94 173.85 3bpm s PRO 141 N 1.63 2.59 0.47 2.79 0.02 -1.26 -4.76 135.00 136.47 3bpm s PRO 141 Ca 0.05 1.88 0.19 0.00 0.02 0.00 0.00 61.00 63.15 3bpm s PRO 141 Cb -0.16 -1.87 1.19 0.00 0.02 0.00 0.00 34.50 33.67 3bpm s PRO 141 CO 0.06 -1.52 1.95 -0.44 -0.33 0.00 0.00 177.00 176.72 3bpm h ASP 142 N 0.42 0.24 -0.51 2.53 3.32 -1.97 -1.04 116.42 119.40 3bpm h ASP 142 Ca -0.50 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.54 3bpm h ASP 142 Cb 1.31 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.81 3bpm h ASP 142 CO 0.53 0.13 0.03 -0.90 -1.72 0.00 0.00 179.24 177.30 3bpm n ASP 143 N -4.44 4.98 -0.26 6.45 5.75 -1.26 -4.36 116.55 123.40 3bpm n ASP 143 Ca 0.13 -2.83 0.04 0.00 -0.01 0.00 0.00 54.79 52.12 3bpm n ASP 143 Cb 0.56 -0.67 0.06 0.00 -1.03 0.00 0.00 41.12 40.04 3bpm n ASP 143 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3bpm n LYS 144 N 0.46 0.70 -0.27 0.11 4.76 -0.39 -4.90 118.16 118.62 3bpm n LYS 144 Ca 0.25 -1.67 -0.05 0.00 -2.87 0.00 0.00 58.31 53.97 3bpm n LYS 144 Cb 1.09 -0.95 0.08 0.00 -1.84 0.00 0.00 35.03 33.41 3bpm n LYS 144 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 3bpm h PHE 145 N 0.00 1.18 -0.25 2.13 -1.00 -1.76 0.27 116.94 117.51 3bpm h PHE 145 Ca 0.00 -0.09 -0.18 0.00 2.81 0.00 0.00 57.97 60.51 3bpm h PHE 145 Cb 1.16 -0.35 -0.00 0.00 3.61 0.00 0.00 35.95 40.37 3bpm h PHE 145 CO 0.05 0.90 -0.57 0.87 -1.61 0.00 0.00 178.31 177.95 3bpm h LYS 146 N 1.12 0.77 -0.15 1.51 1.57 -1.87 -0.74 116.57 118.78 3bpm h LYS 146 Ca 0.26 -0.50 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 3bpm h LYS 146 Cb 0.23 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3bpm h LYS 146 CO -0.02 1.12 0.01 1.49 -0.57 0.00 0.00 179.45 181.48 3bpm h GLU 147 N 0.58 0.27 -0.85 3.15 4.81 -1.79 -1.64 114.58 119.11 3bpm h GLU 147 Ca 0.01 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.20 3bpm h GLU 147 Cb 1.16 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.46 3bpm h GLU 147 CO 0.12 0.48 0.54 0.00 -0.73 0.00 0.00 179.01 179.42 3bpm h ALA 148 N 0.78 1.13 -0.09 2.92 0.00 -0.42 -2.04 119.26 121.55 3bpm h ALA 148 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3bpm h ALA 148 Cb 0.36 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3bpm h ALA 148 CO 0.01 0.35 0.06 -0.07 0.00 0.00 0.00 179.25 179.59 3bpm h LEU 149 N 1.03 0.10 -0.43 0.00 3.38 -0.79 0.47 115.31 119.07 3bpm h LEU 149 Ca 0.35 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 58.15 3bpm h LEU 149 Cb 0.06 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3bpm h LEU 149 CO -0.13 0.08 -0.40 -0.09 0.09 0.00 0.00 178.44 177.98 3bpm h ARG 150 N 0.12 0.88 0.00 1.13 1.12 -1.10 -2.85 114.38 113.68 3bpm h ARG 150 Ca 0.03 -0.47 -0.36 0.00 -1.11 0.00 0.00 59.98 58.08 3bpm h ARG 150 Cb -0.01 0.02 -0.07 0.00 -0.01 0.00 0.00 29.97 29.90 3bpm h ARG 150 CO -0.01 1.12 -2.34 0.66 -3.11 0.00 0.00 179.97 176.29 3bpm n TYR 151 N -4.05 0.00 -0.13 2.20 4.02 -0.78 -4.67 117.16 113.75 3bpm n TYR 151 Ca -0.02 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.66 3bpm n TYR 151 Cb 0.55 -0.94 -0.11 0.00 -0.02 0.00 0.00 39.34 38.81 3bpm n TYR 151 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3bpm n LEU 152 N -2.88 2.70 0.00 7.72 4.77 0.15 -4.85 117.00 124.61 3bpm n LEU 152 Ca -0.35 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 3bpm n LEU 152 Cb 1.07 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3bpm n LEU 152 CO 0.35 0.84 0.00 0.61 -1.33 0.00 0.00 177.39 177.86 3bpm n GLY 153 N 2.00 0.73 3.60 -0.72 0.00 -0.49 -4.96 105.19 105.34 3bpm n GLY 153 Ca -0.48 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 42.99 3bpm n GLY 153 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3bpm n PRO 154 N -0.59 1.27 -4.57 1.61 -0.02 -1.26 -4.16 135.00 127.28 3bpm n PRO 154 Ca 0.00 0.46 -0.33 0.00 -2.02 0.00 0.00 63.50 61.60 3bpm n PRO 154 Cb 0.00 -1.99 -0.15 0.00 -0.02 0.00 0.00 33.50 31.34 3bpm n PRO 154 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3bpm s ILE 155 N -1.29 2.91 -0.08 4.25 1.01 -0.64 -4.75 121.20 122.62 3bpm s ILE 155 Ca 0.63 -0.69 -0.30 0.00 0.00 0.00 0.00 60.65 60.29 3bpm s ILE 155 Cb -0.56 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 3bpm s ILE 155 CO 0.57 0.51 1.34 -0.55 0.00 0.00 0.00 174.94 176.81 3bpm s SER 156 N 0.67 6.90 0.02 3.58 0.15 0.19 0.07 113.70 125.29 3bpm s SER 156 Ca -0.07 1.92 0.01 0.00 0.70 0.00 0.00 55.95 58.51 3bpm s SER 156 Cb -0.15 -2.55 -0.02 0.00 -1.71 0.00 0.00 66.02 61.59 3bpm s SER 156 CO 0.02 -0.73 -0.04 0.27 1.20 0.00 0.00 173.24 173.96 3bpm s ILE 157 N 2.97 0.22 0.60 6.45 -4.36 -0.17 -0.29 121.20 126.62 3bpm s ILE 157 Ca 0.60 -0.85 -0.10 0.00 -0.26 0.00 0.00 60.65 60.05 3bpm s ILE 157 Cb -0.27 -0.33 -0.03 0.00 1.25 0.00 0.00 42.46 43.08 3bpm s ILE 157 CO 0.22 -0.40 0.99 -0.94 0.24 0.00 0.00 174.94 175.04 3bpm s SER 158 N -1.31 6.08 -0.08 4.36 1.04 -0.57 -0.25 113.70 122.97 3bpm s SER 158 Ca -0.12 1.24 -0.20 0.00 0.48 0.00 0.00 55.95 57.34 3bpm s SER 158 Cb -0.09 -2.30 0.05 0.00 0.10 0.00 0.00 66.02 63.78 3bpm s SER 158 CO -0.01 -0.90 0.48 -0.51 0.98 0.00 0.00 173.24 173.29 3bpm s ILE 159 N -3.11 0.02 -0.86 -1.02 2.07 -0.16 -1.53 121.20 116.60 3bpm s ILE 159 Ca 0.54 -0.18 -0.18 0.00 -1.41 0.00 0.00 60.65 59.43 3bpm s ILE 159 Cb -0.11 -0.75 0.15 0.00 0.13 0.00 0.00 42.46 41.88 3bpm s ILE 159 CO 0.51 -0.10 0.99 0.00 -1.91 0.00 0.00 174.94 174.44 3bpm s ALA 160 N -0.74 3.55 0.57 1.50 0.00 0.14 -1.62 121.76 125.16 3bpm s ALA 160 Ca -0.08 -2.84 -0.14 0.00 0.00 0.00 0.00 51.96 48.90 3bpm s ALA 160 Cb -0.03 -3.86 -0.06 0.00 0.00 0.00 0.00 23.12 19.17 3bpm s ALA 160 CO 0.05 -2.73 1.01 0.00 0.00 0.00 0.00 175.76 174.08 3bpm s ALA 161 N 2.06 3.03 0.29 0.00 0.00 -1.26 -0.77 121.76 125.12 3bpm s ALA 161 Ca 0.27 0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.35 3bpm s ALA 161 Cb -0.08 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 3bpm s ALA 161 CO -0.07 -0.49 0.14 -1.54 0.00 0.00 0.00 175.76 173.80 3bpm s SER 162 N -3.45 1.43 0.61 0.00 1.04 -1.26 -2.82 113.70 109.24 3bpm s SER 162 Ca 0.58 -1.51 0.37 0.00 0.48 0.00 0.00 55.95 55.87 3bpm s SER 162 Cb -0.11 0.33 2.01 0.00 0.10 0.00 0.00 66.02 68.35 3bpm s SER 162 CO 0.41 -0.85 2.26 0.44 0.98 0.00 0.00 173.24 176.48 3bpm h ASP 163 N 2.26 0.00 0.06 7.02 3.45 -1.94 -0.91 116.42 126.37 3bpm h ASP 163 Ca -0.35 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.10 3bpm h ASP 163 Cb 1.25 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 40.02 3bpm h ASP 163 CO 0.54 0.02 -0.03 0.44 -1.57 0.00 0.00 179.24 178.64 3bpm h ASP 164 N 0.00 0.00 -0.59 6.45 3.45 -1.96 -2.04 116.42 121.73 3bpm h ASP 164 Ca -0.00 0.00 0.15 0.00 0.43 0.00 0.00 57.03 57.61 3bpm h ASP 164 Cb 0.11 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 38.85 3bpm h ASP 164 CO 0.00 0.03 0.41 -0.26 -1.57 0.00 0.00 179.24 177.86 3bpm h PHE 165 N 0.00 0.11 -0.99 4.55 -1.00 -1.49 -1.76 116.94 116.37 3bpm h PHE 165 Ca -0.00 0.00 0.20 0.00 2.81 0.00 0.00 57.97 60.99 3bpm h PHE 165 Cb 0.08 -0.04 -0.10 0.00 3.61 0.00 0.00 35.95 39.50 3bpm h PHE 165 CO 0.00 0.04 0.62 0.00 -1.61 0.00 0.00 178.31 177.36 3bpm h ALA 166 N 1.71 1.83 -0.00 2.45 0.00 -1.55 -1.58 119.26 122.11 3bpm h ALA 166 Ca 0.28 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.26 3bpm h ALA 166 Cb 0.98 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3bpm h ALA 166 CO -0.03 -0.20 -0.24 1.19 0.00 0.00 0.00 179.25 179.97 3bpm n PHE 167 N -4.71 0.00 -2.49 0.00 3.72 -0.66 -4.91 117.46 108.41 3bpm n PHE 167 Ca 0.23 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.21 3bpm n PHE 167 Cb 0.63 -0.27 -0.03 0.00 -0.94 0.00 0.00 39.48 38.88 3bpm n PHE 167 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 3bpm s TYR 168 N -2.78 3.40 -0.05 1.38 6.14 -0.60 -4.90 117.35 119.94 3bpm s TYR 168 Ca 0.19 1.35 0.23 0.00 0.64 0.00 0.00 57.07 59.48 3bpm s TYR 168 Cb 0.19 -3.36 0.40 0.00 0.42 0.00 0.00 41.96 39.61 3bpm s TYR 168 CO 0.57 -1.04 1.15 0.54 0.64 0.00 0.00 175.55 177.42 3bpm n ARG 169 N 4.35 0.34 0.00 4.97 5.12 -1.26 -1.42 116.66 128.76 3bpm n ARG 169 Ca 0.09 -2.16 0.00 0.00 -1.93 0.00 0.00 57.85 53.85 3bpm n ARG 169 Cb 0.47 -0.23 0.00 0.00 -1.16 0.00 0.00 32.46 31.54 3bpm n ARG 169 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3bpm n GLY 170 N 0.21 0.88 7.00 -0.13 0.00 -1.24 -4.42 105.19 107.48 3bpm n GLY 170 Ca 0.02 -2.31 0.00 0.00 0.00 0.00 0.00 46.02 43.73 3bpm n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bpm n GLY 171 N -1.03 -0.74 3.37 -0.02 0.00 -1.26 -4.72 105.19 100.78 3bpm n GLY 171 Ca 0.00 -1.17 -0.35 0.00 0.00 0.00 0.00 46.02 44.50 3bpm n GLY 171 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3bpm s PHE 172 N 0.00 2.96 0.17 1.61 0.40 -1.26 -4.16 117.98 117.70 3bpm s PHE 172 Ca 0.00 -0.73 -0.33 0.00 -0.60 0.00 0.00 56.93 55.27 3bpm s PHE 172 Cb 0.00 -2.06 -0.12 0.00 0.51 0.00 0.00 43.02 41.35 3bpm s PHE 172 CO 0.00 -0.39 1.70 0.98 0.70 0.00 0.00 175.22 178.21 3bpm n TYR 173 N 4.42 2.57 -2.57 0.36 4.19 -0.84 -4.91 117.16 120.39 3bpm n TYR 173 Ca -0.18 0.08 -0.05 0.00 3.31 0.00 0.00 57.90 61.05 3bpm n TYR 173 Cb 0.51 -2.64 0.05 0.00 0.49 0.00 0.00 39.34 37.75 3bpm n TYR 173 CO 0.00 0.00 0.00 -0.40 0.91 0.00 0.00 176.86 177.37 3bpm n ASP 174 N 4.18 2.35 -3.63 2.98 5.75 -1.26 -4.75 116.55 122.18 3bpm n ASP 174 Ca 0.17 -2.50 -0.18 0.00 -0.01 0.00 0.00 54.79 52.26 3bpm n ASP 174 Cb 0.33 -0.43 0.11 0.00 -1.03 0.00 0.00 41.12 40.10 3bpm n ASP 174 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3bpm n GLY 175 N -0.55 -0.16 3.89 6.12 0.00 -1.26 -5.09 105.19 108.14 3bpm n GLY 175 Ca 0.16 -1.88 -0.29 0.00 0.00 0.00 0.00 46.02 44.01 3bpm n GLY 175 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3bpm s GLU 176 N -4.62 2.05 0.27 1.61 2.12 -1.26 -5.08 118.70 113.79 3bpm s GLU 176 Ca 0.50 0.19 0.07 0.00 0.36 0.00 0.00 54.97 56.09 3bpm s GLU 176 Cb -0.02 -1.95 -0.03 0.00 0.26 0.00 0.00 34.13 32.38 3bpm s GLU 176 CO 0.34 -1.55 0.20 0.00 -0.54 0.00 0.00 175.26 173.71 3bpm s GLY 178 N -3.86 2.29 0.08 0.00 0.00 0.05 -4.74 107.32 101.15 3bpm s GLY 178 Ca 0.34 0.85 -0.24 0.00 0.00 0.00 0.00 44.72 45.68 3bpm s GLY 178 CO 0.25 1.26 1.71 0.00 0.00 0.00 0.00 173.10 176.31 3bpm h ALA 179 N -0.43 -0.07 -2.46 3.20 0.00 -1.88 -3.46 119.26 114.17 3bpm h ALA 179 Ca -0.47 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.10 3bpm h ALA 179 Cb 1.29 0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.95 3bpm h ALA 179 CO 0.49 -0.53 -0.72 0.00 0.00 0.00 0.00 179.25 178.49 3bpm s ALA 180 N -6.09 1.25 0.20 0.00 0.00 -1.26 -5.07 121.76 110.78 3bpm s ALA 180 Ca -0.13 -1.34 -0.32 0.00 0.00 0.00 0.00 51.96 50.17 3bpm s ALA 180 Cb 0.06 0.05 -0.12 0.00 0.00 0.00 0.00 23.12 23.11 3bpm s ALA 180 CO 0.66 -0.09 1.73 -2.14 0.00 0.00 0.00 175.76 175.93 3bpm s PRO 181 N -3.34 4.13 0.00 0.00 0.02 -1.26 -4.40 135.00 130.15 3bpm s PRO 181 Ca 0.11 2.60 0.00 0.00 0.02 0.00 0.00 61.00 63.73 3bpm s PRO 181 Cb 0.01 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.38 3bpm s PRO 181 CO -0.00 -0.76 0.00 0.27 -0.33 0.00 0.00 177.00 176.17 3bpm n ASN 182 N 4.21 0.00 -4.00 2.53 0.23 -0.64 -4.92 115.26 112.67 3bpm n ASN 182 Ca 0.16 -0.73 -0.08 0.00 -0.53 0.00 0.00 54.58 53.41 3bpm n ASN 182 Cb 0.36 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 37.96 3bpm n ASN 182 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 3bpm s HIS 183 N 0.00 0.36 -0.10 -2.53 5.04 -0.84 -4.95 115.29 112.27 3bpm s HIS 183 Ca 0.00 -0.81 0.03 0.00 -1.54 0.00 0.00 55.06 52.74 3bpm s HIS 183 Cb 0.00 -0.25 0.01 0.00 0.04 0.00 0.00 32.58 32.37 3bpm s HIS 183 CO 0.00 -0.40 -0.19 0.00 -2.34 0.00 0.00 174.74 171.81 3bpm s ALA 184 N -3.46 1.89 0.26 1.58 0.00 -1.26 -0.98 121.76 119.78 3bpm s ALA 184 Ca 0.02 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.21 3bpm s ALA 184 Cb 0.04 -0.79 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 3bpm s ALA 184 CO -0.08 0.12 0.16 1.33 0.00 0.00 0.00 175.76 177.28 3bpm n VAL 185 N 3.82 0.00 -4.91 0.00 0.24 0.65 -4.57 118.33 113.57 3bpm n VAL 185 Ca -0.20 -1.73 -0.32 0.00 -2.04 0.00 0.00 64.34 60.05 3bpm n VAL 185 Cb 0.52 0.75 -0.16 0.00 -1.47 0.00 0.00 33.84 33.47 3bpm n VAL 185 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3bpm s ILE 186 N -2.82 2.20 -0.26 1.34 1.01 -0.97 -1.00 121.20 120.70 3bpm s ILE 186 Ca 0.22 -0.95 -0.25 0.00 0.00 0.00 0.00 60.65 59.66 3bpm s ILE 186 Cb 0.01 -1.87 0.00 0.00 0.01 0.00 0.00 42.46 40.61 3bpm s ILE 186 CO 0.16 0.55 0.88 -0.22 0.00 0.00 0.00 174.94 176.30 3bpm s LEU 187 N 0.57 4.07 0.00 2.97 2.96 0.11 -0.61 118.68 128.75 3bpm s LEU 187 Ca -0.12 1.02 0.06 0.00 -0.22 0.00 0.00 54.13 54.86 3bpm s LEU 187 Cb -0.17 -3.25 -0.02 0.00 0.50 0.00 0.00 46.19 43.24 3bpm s LEU 187 CO 0.04 -0.59 0.38 1.33 -1.32 0.00 0.00 176.35 176.18 3bpm n VAL 188 N 5.38 0.00 -0.85 1.68 0.24 0.01 -1.62 118.33 123.17 3bpm n VAL 188 Ca 0.07 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 3bpm n VAL 188 Cb 0.47 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 33.88 3bpm n VAL 188 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3bpm n GLY 189 N 0.88 -1.81 3.16 7.63 0.00 -1.07 -1.56 105.19 112.41 3bpm n GLY 189 Ca 0.02 -1.12 -0.08 0.00 0.00 0.00 0.00 46.02 44.83 3bpm n GLY 189 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3bpm s TYR 190 N -2.24 0.30 0.30 1.61 -0.85 0.13 -0.37 117.35 116.23 3bpm s TYR 190 Ca 0.00 -0.77 -0.08 0.00 -0.52 0.00 0.00 57.07 55.70 3bpm s TYR 190 Cb 0.00 -0.19 0.00 0.00 0.38 0.00 0.00 41.96 42.15 3bpm s TYR 190 CO 0.00 -0.47 0.49 0.20 -1.52 0.00 0.00 175.55 174.25 3bpm s GLY 191 N -2.86 1.02 -0.01 5.49 0.00 0.23 -1.42 107.32 109.77 3bpm s GLY 191 Ca 0.05 -1.21 -0.00 0.00 0.00 0.00 0.00 44.72 43.56 3bpm s GLY 191 CO -0.10 -0.81 0.01 -0.29 0.00 0.00 0.00 173.10 171.91 3bpm s MET 192 N -3.40 -0.02 -0.09 2.90 0.00 -1.21 -0.28 119.30 117.21 3bpm s MET 192 Ca 0.26 0.08 0.04 0.00 0.00 0.00 0.00 55.69 56.07 3bpm s MET 192 Cb -0.01 -0.10 -0.00 0.00 0.00 0.00 0.00 34.83 34.72 3bpm s MET 192 CO 0.15 -0.07 -0.24 0.15 0.00 0.00 0.00 175.02 175.01 3bpm s LYS 193 N 0.42 2.90 -0.66 4.11 -0.14 0.07 -4.95 119.74 121.50 3bpm s LYS 193 Ca -0.04 -0.88 -0.28 0.00 -1.36 0.00 0.00 55.97 53.42 3bpm s LYS 193 Cb -0.05 -2.27 0.03 0.00 -1.68 0.00 0.00 37.83 33.85 3bpm s LYS 193 CO -0.01 0.25 1.28 -0.51 -0.76 0.00 0.00 175.35 175.60 3bpm s ASP 194 N 0.17 6.24 -0.23 2.83 1.01 -1.26 -1.23 116.67 124.19 3bpm s ASP 194 Ca -0.13 -0.13 -0.11 0.00 0.71 0.00 0.00 52.55 52.88 3bpm s ASP 194 Cb -0.16 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.16 3bpm s ASP 194 CO 0.07 -1.71 0.20 -0.63 0.21 0.00 0.00 175.17 173.31 3bpm s ILE 195 N 5.58 5.34 0.35 0.77 -1.09 0.94 -4.87 121.20 128.22 3bpm s ILE 195 Ca 0.41 0.27 -0.28 0.00 -2.23 0.00 0.00 60.65 58.82 3bpm s ILE 195 Cb -0.08 -3.54 -0.11 0.00 -1.58 0.00 0.00 42.46 37.16 3bpm s ILE 195 CO 0.20 0.34 1.38 -0.47 -1.23 0.00 0.00 174.94 175.17 3bpm s TYR 196 N 1.01 2.85 -0.33 3.97 5.04 -1.26 -1.04 117.35 127.58 3bpm s TYR 196 Ca 0.10 1.31 -0.02 0.00 -2.44 0.00 0.00 57.07 56.01 3bpm s TYR 196 Cb -0.13 -3.83 0.07 0.00 0.35 0.00 0.00 41.96 38.41 3bpm s TYR 196 CO 0.04 -2.35 0.06 1.21 -1.34 0.00 0.00 175.55 173.18 3bpm s ASN 197 N -0.34 5.02 0.40 4.32 3.84 -0.67 -4.92 114.94 122.60 3bpm s ASN 197 Ca 0.51 -1.50 0.10 0.00 0.21 0.00 0.00 52.86 52.18 3bpm s ASN 197 Cb -0.43 -1.75 0.90 0.00 -0.55 0.00 0.00 41.25 39.42 3bpm s ASN 197 CO 0.57 -0.35 1.98 -0.33 -2.79 0.00 0.00 177.10 176.19 3bpm h GLU 198 N 8.02 0.55 0.48 0.43 5.08 -1.95 1.12 114.58 128.31 3bpm h GLU 198 Ca -0.18 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 3bpm h GLU 198 Cb 1.06 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3bpm h GLU 198 CO 0.58 0.36 -0.23 -0.44 -1.00 0.00 0.00 179.01 178.28 3bpm h ASP 199 N 0.56 -0.55 0.92 1.42 3.32 -1.96 -3.31 116.42 116.82 3bpm h ASP 199 Ca 0.28 0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.23 3bpm h ASP 199 Cb 0.36 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 3bpm h ASP 199 CO -0.08 -0.13 -0.54 0.71 -1.72 0.00 0.00 179.24 177.48 3bpm h THR 200 N -1.17 1.12 -0.42 0.35 1.35 -1.95 -3.47 112.91 108.72 3bpm h THR 200 Ca -0.07 -2.03 -0.18 0.00 -0.55 0.00 0.00 66.41 63.58 3bpm h THR 200 Cb 0.50 2.18 -0.07 0.00 -1.73 0.00 0.00 68.15 69.03 3bpm h THR 200 CO 0.11 0.52 -0.16 0.61 -0.25 0.00 0.00 175.52 176.35 3bpm n GLY 201 N 0.55 1.02 3.48 5.82 0.00 0.39 -5.02 105.19 111.43 3bpm n GLY 201 Ca -0.00 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.36 3bpm n GLY 201 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bpm s ARG 202 N -2.53 2.01 0.32 1.61 0.52 -1.23 -4.91 118.95 114.74 3bpm s ARG 202 Ca 0.00 -1.03 -0.29 0.00 -0.52 0.00 0.00 55.73 53.89 3bpm s ARG 202 Cb 0.00 -2.19 -0.10 0.00 0.52 0.00 0.00 34.95 33.18 3bpm s ARG 202 CO 0.00 0.52 1.26 -1.64 0.02 0.00 0.00 175.30 175.46 3bpm s MET 203 N -1.71 4.43 0.07 3.54 -1.94 -1.26 -1.67 119.30 120.76 3bpm s MET 203 Ca 0.16 2.11 0.00 0.00 -1.71 0.00 0.00 55.69 56.26 3bpm s MET 203 Cb -0.11 -3.10 -0.04 0.00 2.01 0.00 0.00 34.83 33.59 3bpm s MET 203 CO 0.07 -0.09 -0.05 -1.83 -0.01 0.00 0.00 175.02 173.12 3bpm s GLU 204 N -1.68 0.71 -0.09 2.03 -1.05 -0.21 -4.94 118.70 113.48 3bpm s GLU 204 Ca 0.48 -1.25 -0.11 0.00 -0.15 0.00 0.00 54.97 53.94 3bpm s GLU 204 Cb -0.38 -0.01 -0.05 0.00 -0.44 0.00 0.00 34.13 33.25 3bpm s GLU 204 CO 0.50 -0.06 0.25 0.15 0.95 0.00 0.00 175.26 177.05 3bpm s LYS 205 N -3.75 3.75 -0.21 -4.83 1.02 -1.26 -0.04 119.74 114.42 3bpm s LYS 205 Ca 0.08 0.07 0.01 0.00 0.02 0.00 0.00 55.97 56.16 3bpm s LYS 205 Cb 0.06 -3.25 0.04 0.00 -0.52 0.00 0.00 37.83 34.16 3bpm s LYS 205 CO -0.07 0.65 -0.11 0.12 -0.92 0.00 0.00 175.35 175.02 3bpm s PHE 206 N -0.76 2.60 0.12 3.18 5.36 -0.37 -4.94 117.98 123.17 3bpm s PHE 206 Ca 0.18 -1.72 -0.03 0.00 -0.96 0.00 0.00 56.93 54.39 3bpm s PHE 206 Cb -0.14 -1.72 -0.05 0.00 -0.34 0.00 0.00 43.02 40.78 3bpm s PHE 206 CO 0.07 -0.77 0.33 0.71 -1.46 0.00 0.00 175.22 174.09 3bpm s TYR 207 N 1.34 3.49 0.04 10.12 1.51 -1.26 -0.75 117.35 131.83 3bpm s TYR 207 Ca -0.02 0.46 -0.23 0.00 -1.01 0.00 0.00 57.07 56.27 3bpm s TYR 207 Cb -0.16 -1.93 0.06 0.00 -0.11 0.00 0.00 41.96 39.81 3bpm s TYR 207 CO -0.08 0.48 0.54 1.52 -1.11 0.00 0.00 175.55 176.90 3bpm s TYR 208 N -1.63 -0.46 0.19 2.71 -0.85 0.62 -1.33 117.35 116.61 3bpm s TYR 208 Ca 0.39 0.54 -0.05 0.00 -0.52 0.00 0.00 57.07 57.44 3bpm s TYR 208 Cb -0.12 0.36 -0.06 0.00 0.38 0.00 0.00 41.96 42.52 3bpm s TYR 208 CO 0.26 -0.65 0.44 0.71 -1.52 0.00 0.00 175.55 174.78 3bpm s TYR 209 N -2.36 3.47 -0.10 -3.49 4.12 0.56 0.77 117.35 120.32 3bpm s TYR 209 Ca -0.06 0.59 0.03 0.00 0.02 0.00 0.00 57.07 57.65 3bpm s TYR 209 Cb -0.01 -2.04 -0.00 0.00 -1.52 0.00 0.00 41.96 38.39 3bpm s TYR 209 CO -0.01 0.35 -0.21 0.42 0.02 0.00 0.00 175.55 176.12 3bpm s ILE 210 N -1.79 2.30 -0.04 2.71 1.01 0.50 -1.23 121.20 124.66 3bpm s ILE 210 Ca 0.42 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 60.16 3bpm s ILE 210 Cb -0.12 -1.90 0.01 0.00 0.01 0.00 0.00 42.46 40.47 3bpm s ILE 210 CO 0.26 0.55 -0.09 -0.63 0.00 0.00 0.00 174.94 175.03 3bpm s ILE 211 N 0.31 0.79 -0.30 2.92 1.01 -0.81 -0.81 121.20 124.31 3bpm s ILE 211 Ca -0.16 -0.33 -0.17 0.00 0.00 0.00 0.00 60.65 59.99 3bpm s ILE 211 Cb -0.17 -0.73 -0.02 0.00 0.01 0.00 0.00 42.46 41.55 3bpm s ILE 211 CO 0.08 0.26 0.47 -0.75 0.00 0.00 0.00 174.94 175.00 3bpm s LYS 212 N 0.44 3.85 0.43 2.79 2.20 0.22 -1.02 119.74 128.66 3bpm s LYS 212 Ca -0.07 0.01 0.06 0.00 -0.36 0.00 0.00 55.97 55.61 3bpm s LYS 212 Cb -0.11 -3.72 0.01 0.00 -1.51 0.00 0.00 37.83 32.49 3bpm s LYS 212 CO 0.01 -0.46 0.60 1.21 -0.36 0.00 0.00 175.35 176.35 3bpm s ASN 213 N 1.67 5.65 -0.43 1.43 3.84 -0.67 -2.29 114.94 124.13 3bpm s ASN 213 Ca 0.18 -0.26 0.05 0.00 0.21 0.00 0.00 52.86 53.04 3bpm s ASN 213 Cb -0.16 -0.85 0.43 0.00 -0.55 0.00 0.00 41.25 40.12 3bpm s ASN 213 CO 0.11 -0.77 1.22 -1.54 -2.79 0.00 0.00 177.10 173.33 3bpm n SER 214 N -1.92 5.05 -0.53 -4.21 3.41 -1.26 -4.58 113.62 109.57 3bpm n SER 214 Ca 0.06 -3.74 0.07 0.00 -0.26 0.00 0.00 58.87 55.00 3bpm n SER 214 Cb 0.59 -0.48 0.19 0.00 -0.26 0.00 0.00 64.21 64.25 3bpm n SER 214 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3bpm n TRP 215 N -0.56 0.37 0.00 7.33 8.01 -1.17 -0.89 117.44 130.54 3bpm n TRP 215 Ca 0.42 -1.18 0.00 0.00 -1.31 0.00 0.00 57.50 55.43 3bpm n TRP 215 Cb 0.72 -0.26 0.00 0.00 -2.01 0.00 0.00 31.31 29.75 3bpm n TRP 215 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3bpm n GLY 216 N -1.13 -0.81 0.13 6.99 0.00 -0.78 -4.25 105.19 105.34 3bpm n GLY 216 Ca 0.21 -1.64 0.13 0.00 0.00 0.00 0.00 46.02 44.71 3bpm n GLY 216 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3bpm h SER 217 N 0.00 0.00 0.74 1.61 4.64 -1.86 -2.85 113.55 115.83 3bpm h SER 217 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3bpm h SER 217 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3bpm h SER 217 CO 0.00 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.43 3bpm n ASP 218 N -2.36 0.00 -4.87 4.97 8.00 -1.26 -2.85 116.55 118.18 3bpm n ASP 218 Ca 0.04 0.15 -0.35 0.00 0.71 0.00 0.00 54.79 55.35 3bpm n ASP 218 Cb 0.39 -0.38 -0.05 0.00 -0.02 0.00 0.00 41.12 41.05 3bpm n ASP 218 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 3bpm s TRP 219 N -2.76 3.59 0.00 1.24 -0.00 -1.07 -4.95 118.94 114.98 3bpm s TRP 219 Ca 0.21 0.69 0.00 0.00 -0.00 0.00 0.00 56.10 57.01 3bpm s TRP 219 Cb 0.19 -2.08 0.00 0.00 -0.00 0.00 0.00 33.47 31.58 3bpm s TRP 219 CO 0.48 0.57 0.00 0.41 -0.00 0.00 0.00 176.95 178.41 3bpm n GLY 220 N 1.05 1.98 3.40 5.86 0.00 -0.51 -0.40 105.19 116.57 3bpm n GLY 220 Ca -0.10 -0.48 -0.45 0.00 0.00 0.00 0.00 46.02 44.99 3bpm n GLY 220 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3bpm s GLU 221 N 0.00 3.91 -1.99 1.61 2.12 0.12 -3.67 118.70 120.80 3bpm s GLU 221 Ca 0.00 -2.55 0.00 0.00 0.36 0.00 0.00 54.97 52.78 3bpm s GLU 221 Cb 0.00 -4.75 0.00 0.00 0.26 0.00 0.00 34.13 29.64 3bpm s GLU 221 CO 0.00 -1.52 0.00 0.41 -0.54 0.00 0.00 175.26 173.61 3bpm n GLY 222 N 4.00 1.29 0.00 -1.50 0.00 -1.24 -2.05 105.19 105.69 3bpm n GLY 222 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3bpm n GLY 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bpm n GLY 223 N -0.52 1.95 3.66 -0.02 0.00 0.46 -4.46 105.19 106.25 3bpm n GLY 223 Ca -0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 3bpm n GLY 223 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3bpm s TYR 224 N -2.10 2.64 -0.02 1.61 1.51 -0.87 -1.67 117.35 118.45 3bpm s TYR 224 Ca 0.00 -0.33 0.02 0.00 -1.01 0.00 0.00 57.07 55.75 3bpm s TYR 224 Cb 0.00 -1.38 0.01 0.00 -0.11 0.00 0.00 41.96 40.48 3bpm s TYR 224 CO 0.00 0.51 -0.05 -1.50 -1.11 0.00 0.00 175.55 173.40 3bpm s ILE 225 N -2.41 0.50 -0.23 2.71 2.07 -0.19 0.10 121.20 123.76 3bpm s ILE 225 Ca 0.34 -0.18 -0.10 0.00 -1.41 0.00 0.00 60.65 59.30 3bpm s ILE 225 Cb -0.04 -0.48 -0.05 0.00 0.13 0.00 0.00 42.46 42.03 3bpm s ILE 225 CO 0.20 0.18 0.13 0.20 -1.91 0.00 0.00 174.94 173.74 3bpm s ASN 226 N 0.41 5.93 -0.07 4.50 0.01 -1.26 -1.92 114.94 122.54 3bpm s ASN 226 Ca -0.05 0.08 0.04 0.00 -0.71 0.00 0.00 52.86 52.22 3bpm s ASN 226 Cb -0.09 -2.06 -0.00 0.00 0.41 0.00 0.00 41.25 39.51 3bpm s ASN 226 CO -0.00 0.08 -0.20 -0.76 -1.51 0.00 0.00 177.10 174.71 3bpm s LEU 227 N 0.94 1.94 0.28 0.60 1.43 -0.36 -1.98 118.68 121.53 3bpm s LEU 227 Ca 0.06 -0.44 -0.30 0.00 -1.03 0.00 0.00 54.13 52.43 3bpm s LEU 227 Cb -0.13 -1.15 -0.13 0.00 0.03 0.00 0.00 46.19 44.80 3bpm s LEU 227 CO 0.03 0.15 1.24 1.21 0.23 0.00 0.00 176.35 179.21 3bpm n GLU 228 N 3.37 1.80 -0.36 1.70 2.13 -1.26 -0.32 120.64 127.69 3bpm n GLU 228 Ca -0.19 0.63 0.00 0.00 0.66 0.00 0.00 57.16 58.26 3bpm n GLU 228 Cb 0.53 -2.18 0.00 0.00 0.27 0.00 0.00 31.44 30.06 3bpm n GLU 228 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 3bpm n THR 229 N 0.96 0.00 -4.45 6.31 5.66 -0.44 -4.02 114.28 118.30 3bpm n THR 229 Ca 0.09 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.90 3bpm n THR 229 Cb 0.32 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.06 3bpm n THR 229 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3bpm n ASP 230 N -0.54 2.66 -0.21 1.09 3.85 -1.26 -4.23 116.55 117.90 3bpm n ASP 230 Ca 0.00 -2.36 -0.01 0.00 -0.71 0.00 0.00 54.79 51.71 3bpm n ASP 230 Cb 0.00 0.27 0.10 0.00 -1.35 0.00 0.00 41.12 40.13 3bpm n ASP 230 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 3bpm h GLU 231 N 0.00 0.55 0.00 0.11 4.81 -1.95 -1.88 114.58 116.23 3bpm h GLU 231 Ca -0.25 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 3bpm h GLU 231 Cb 0.78 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.03 3bpm h GLU 231 CO 0.41 0.37 0.00 0.09 -0.73 0.00 0.00 179.01 179.15 3bpm n ASN 232 N -4.87 0.66 -1.35 1.04 3.02 -1.26 -4.81 115.26 107.70 3bpm n ASN 232 Ca 0.08 0.59 -0.11 0.00 -0.03 0.00 0.00 54.58 55.11 3bpm n ASN 232 Cb 0.21 -0.76 -0.00 0.00 -0.61 0.00 0.00 39.78 38.62 3bpm n ASN 232 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3bpm n GLY 233 N 0.96 -0.06 0.09 7.41 0.00 -0.71 -4.74 105.19 108.15 3bpm n GLY 233 Ca 0.05 -0.40 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 3bpm n GLY 233 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3bpm h TYR 234 N -0.16 0.15 -2.72 1.61 0.99 -1.88 -3.44 116.97 111.52 3bpm h TYR 234 Ca -0.27 -0.11 -0.53 0.00 2.00 0.00 0.00 58.73 59.83 3bpm h TYR 234 Cb 1.19 -0.01 0.03 0.00 1.00 0.00 0.00 36.73 38.95 3bpm h TYR 234 CO 0.29 1.17 0.97 0.21 -0.00 0.00 0.00 178.16 180.79 3bpm s LYS 235 N -2.62 4.20 -0.70 4.88 2.20 -1.26 -4.96 119.74 121.48 3bpm s LYS 235 Ca -0.07 2.36 0.03 0.00 -0.36 0.00 0.00 55.97 57.94 3bpm s LYS 235 Cb 0.08 -3.45 0.17 0.00 -1.51 0.00 0.00 37.83 33.12 3bpm s LYS 235 CO 0.82 -0.70 0.50 0.15 -0.36 0.00 0.00 175.35 175.76 3bpm s LYS 236 N 2.15 2.55 0.33 4.03 -0.14 -1.26 -4.57 119.74 122.82 3bpm s LYS 236 Ca 0.73 -3.12 -0.29 0.00 -1.36 0.00 0.00 55.97 51.94 3bpm s LYS 236 Cb -0.42 -3.55 -0.11 0.00 -1.68 0.00 0.00 37.83 32.08 3bpm s LYS 236 CO 0.32 -1.24 1.43 0.99 -0.76 0.00 0.00 175.35 176.09 3bpm s THR 237 N -1.08 2.38 -1.06 2.17 2.01 -1.26 -2.26 115.64 116.55 3bpm s THR 237 Ca 0.23 0.36 -0.00 0.00 0.31 0.00 0.00 61.69 62.59 3bpm s THR 237 Cb -0.11 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.17 3bpm s THR 237 CO -0.11 0.08 0.00 0.00 -0.69 0.00 0.00 174.62 173.90 3bpm n SER 239 N -1.81 -5.65 -4.70 0.00 7.64 -0.96 -0.69 113.62 107.46 3bpm n SER 239 Ca -0.15 0.15 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 3bpm n SER 239 Cb 0.61 -4.75 -0.02 0.00 -1.01 0.00 0.00 64.21 59.04 3bpm n SER 239 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 3bpm n ILE 240 N -3.48 0.91 -0.64 0.44 -5.35 -1.08 -3.09 119.36 107.06 3bpm n ILE 240 Ca -0.23 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.03 3bpm n ILE 240 Cb 0.68 -1.69 0.00 0.00 -1.74 0.00 0.00 39.64 36.89 3bpm n ILE 240 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3bpm n GLY 241 N 2.27 0.71 0.32 3.28 0.00 -0.59 -4.91 105.19 106.28 3bpm n GLY 241 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 3bpm n GLY 241 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3bpm h THR 242 N 0.00 0.57 -3.33 2.61 2.02 -1.77 -3.27 112.91 109.74 3bpm h THR 242 Ca 0.00 -0.18 -0.65 0.00 0.77 0.00 0.00 66.41 66.35 3bpm h THR 242 Cb 0.00 -0.01 -0.23 0.00 -1.74 0.00 0.00 68.15 66.17 3bpm h THR 242 CO 0.00 0.10 -0.70 -1.61 0.37 0.00 0.00 175.52 173.67 3bpm s GLU 243 N -5.87 3.51 -0.26 6.66 0.41 -1.26 -5.01 118.70 116.87 3bpm s GLU 243 Ca -0.11 -0.58 -0.01 0.00 -0.41 0.00 0.00 54.97 53.86 3bpm s GLU 243 Cb 0.25 -2.79 0.14 0.00 -1.78 0.00 0.00 34.13 29.95 3bpm s GLU 243 CO 0.79 0.26 0.40 0.00 -0.49 0.00 0.00 175.26 176.21 3bpm s ALA 244 N 0.28 -1.17 0.02 5.21 0.00 -1.23 -1.51 121.76 123.36 3bpm s ALA 244 Ca -0.06 0.71 0.02 0.00 0.00 0.00 0.00 51.96 52.63 3bpm s ALA 244 Cb -0.15 -1.83 -0.01 0.00 0.00 0.00 0.00 23.12 21.13 3bpm s ALA 244 CO 0.04 -1.43 -0.06 0.71 0.00 0.00 0.00 175.76 175.02 3bpm s TYR 245 N 2.56 0.49 -0.13 0.00 1.51 0.60 -0.32 117.35 122.06 3bpm s TYR 245 Ca 0.12 -0.30 0.02 0.00 -1.01 0.00 0.00 57.07 55.90 3bpm s TYR 245 Cb -0.14 -0.31 0.00 0.00 -0.11 0.00 0.00 41.96 41.40 3bpm s TYR 245 CO -0.21 -0.06 -0.20 0.08 -1.11 0.00 0.00 175.55 174.05 3bpm s VAL 246 N -0.79 2.33 0.42 0.71 1.01 -0.67 0.57 120.40 123.98 3bpm s VAL 246 Ca -0.05 -0.90 -0.23 0.00 0.00 0.00 0.00 61.98 60.80 3bpm s VAL 246 Cb -0.06 -1.94 -0.09 0.00 0.00 0.00 0.00 36.38 34.29 3bpm s VAL 246 CO -0.00 0.54 1.03 -2.16 0.00 0.00 0.00 175.10 174.51 3bpm s PRO 247 N 0.57 4.09 -0.09 2.72 0.04 -1.26 -1.29 135.00 139.78 3bpm s PRO 247 Ca -0.12 1.41 0.04 0.00 0.04 0.00 0.00 61.00 62.37 3bpm s PRO 247 Cb -0.16 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.00 3bpm s PRO 247 CO 0.04 -0.19 -0.21 -0.51 0.04 0.00 0.00 177.00 176.16 3bpm s LEU 248 N -2.92 1.98 0.00 -3.56 1.43 0.72 -4.90 118.68 111.43 3bpm s LEU 248 Ca 0.61 -0.49 0.26 0.00 -1.03 0.00 0.00 54.13 53.48 3bpm s LEU 248 Cb -0.19 -1.27 1.18 0.00 0.03 0.00 0.00 46.19 45.95 3bpm s LEU 248 CO 0.23 0.13 1.86 0.18 0.23 0.00 0.00 176.35 178.99 3bpm n LEU 249 N 3.55 0.00 0.00 1.79 4.77 -1.26 -1.33 117.00 124.52 3bpm n LEU 249 Ca -0.20 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 3bpm n LEU 249 Cb 0.53 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3bpm n LEU 249 CO 0.27 -0.05 0.00 -0.62 -1.33 0.00 0.00 177.39 175.67