#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3doz n SER 10 N 0.00 0.00 -4.12 1.08 2.88 -1.26 -4.73 113.62 107.47 3doz n SER 10 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 3doz n SER 10 Cb 0.00 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.29 3doz n SER 10 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3doz s GLN 11 N 0.00 2.52 0.02 -1.46 -1.52 -1.26 -2.94 119.66 115.02 3doz s GLN 11 Ca 0.00 -0.68 0.03 0.00 -1.95 0.00 0.00 55.36 52.75 3doz s GLN 11 Cb 0.00 -2.03 -0.01 0.00 -0.22 0.00 0.00 33.01 30.75 3doz s GLN 11 CO 0.00 0.03 -0.08 -0.06 -0.25 0.00 0.00 175.29 174.93 3doz s PHE 12 N 0.71 0.72 0.52 0.91 0.40 -0.14 -4.98 117.98 116.12 3doz s PHE 12 Ca -0.12 -0.27 0.07 0.00 -0.60 0.00 0.00 56.93 56.02 3doz s PHE 12 Cb -0.16 -0.44 0.03 0.00 0.51 0.00 0.00 43.02 42.96 3doz s PHE 12 CO 0.02 -0.02 0.46 -0.06 0.70 0.00 0.00 175.22 176.32 3doz s PHE 13 N -0.63 1.85 0.44 0.36 0.40 -1.26 -0.33 117.98 118.81 3doz s PHE 13 Ca -0.01 -0.74 0.18 0.00 -0.60 0.00 0.00 56.93 55.76 3doz s PHE 13 Cb -0.06 -2.03 1.13 0.00 0.51 0.00 0.00 43.02 42.57 3doz s PHE 13 CO 0.00 -0.51 1.91 0.97 0.70 0.00 0.00 175.22 178.30 3doz h ILE 14 N 0.72 0.75 -0.87 0.64 6.09 -1.90 0.14 117.51 123.08 3doz h ILE 14 Ca -0.37 -0.12 0.03 0.00 -1.37 0.00 0.00 64.86 63.03 3doz h ILE 14 Cb 1.29 0.38 -0.05 0.00 0.47 0.00 0.00 36.82 38.91 3doz h ILE 14 CO 0.54 0.06 0.57 -0.08 -3.07 0.00 0.00 178.15 176.18 3doz h GLU 15 N 0.34 1.08 0.10 2.19 4.57 -1.94 -0.85 114.58 120.07 3doz h GLU 15 Ca 0.38 -0.06 -0.14 0.00 -1.18 0.00 0.00 59.36 58.36 3doz h GLU 15 Cb 0.99 -0.24 0.01 0.00 -0.16 0.00 0.00 28.75 29.35 3doz h GLU 15 CO -0.11 0.71 -0.60 0.45 -1.18 0.00 0.00 179.01 178.28 3doz h HIS 16 N 1.11 0.39 -0.90 0.92 3.86 -1.16 -3.31 115.15 116.06 3doz h HIS 16 Ca 0.34 -0.28 0.14 0.00 -1.16 0.00 0.00 60.37 59.41 3doz h HIS 16 Cb -0.02 -0.02 -0.09 0.00 1.06 0.00 0.00 27.41 28.34 3doz h HIS 16 CO -0.00 1.23 0.50 0.82 0.86 0.00 0.00 177.93 181.35 3doz h ILE 17 N -0.55 0.78 -0.72 2.45 2.04 -0.90 0.06 117.51 120.66 3doz h ILE 17 Ca -0.11 -0.25 0.10 0.00 1.00 0.00 0.00 64.86 65.60 3doz h ILE 17 Cb 1.47 -0.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.48 3doz h ILE 17 CO 0.11 0.13 0.48 -0.07 0.00 0.00 0.00 178.15 178.80 3doz h LEU 18 N 0.73 0.55 -0.01 1.44 3.38 -1.26 0.78 115.31 120.92 3doz h LEU 18 Ca 0.48 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.47 3doz h LEU 18 Cb 0.64 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3doz h LEU 18 CO -0.34 0.33 -0.06 0.00 0.09 0.00 0.00 178.44 178.47 3doz n GLN 19 N -4.49 0.07 -0.04 1.13 6.02 -0.02 -4.35 117.38 115.70 3doz n GLN 19 Ca 0.12 -0.01 -0.08 0.00 -0.01 0.00 0.00 57.00 57.02 3doz n GLN 19 Cb 0.34 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.07 3doz n GLN 19 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3doz n ILE 20 N -1.46 0.93 -2.69 5.09 2.08 -0.36 -4.33 119.36 118.61 3doz n ILE 20 Ca 0.08 0.04 -0.38 0.00 0.56 0.00 0.00 62.75 63.05 3doz n ILE 20 Cb 0.33 -1.76 -0.06 0.00 -0.75 0.00 0.00 39.64 37.40 3doz n ILE 20 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3doz s LEU 21 N -6.93 4.40 0.34 1.39 1.43 0.12 -4.78 118.68 114.65 3doz s LEU 21 Ca -0.14 1.95 0.24 0.00 -1.03 0.00 0.00 54.13 55.16 3doz s LEU 21 Cb 0.04 -3.90 0.55 0.00 0.03 0.00 0.00 46.19 42.91 3doz s LEU 21 CO 0.19 -0.10 1.68 1.55 0.23 0.00 0.00 176.35 179.90 3doz h PRO 22 N 3.36 0.00 -7.15 1.29 0.13 -1.87 -3.44 132.00 124.31 3doz h PRO 22 Ca -0.47 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.12 3doz h PRO 22 Cb 1.20 0.00 0.16 0.00 0.13 0.00 0.00 31.00 32.49 3doz h PRO 22 CO 0.65 0.00 0.44 -1.01 -0.23 0.00 0.00 178.00 177.85 3doz s HIS 23 N -3.16 2.00 0.21 1.56 3.76 -1.26 -5.05 115.29 113.34 3doz s HIS 23 Ca 0.09 1.56 -0.11 0.00 -0.15 0.00 0.00 55.06 56.45 3doz s HIS 23 Cb 0.08 -3.59 -0.01 0.00 1.11 0.00 0.00 32.58 30.18 3doz s HIS 23 CO 0.64 -2.82 0.38 1.03 -0.85 0.00 0.00 174.74 173.11 3doz s ARG 24 N -3.70 1.35 0.20 1.40 1.81 -1.26 -4.74 118.95 114.01 3doz s ARG 24 Ca 0.78 -1.22 -0.32 0.00 -1.72 0.00 0.00 55.73 53.25 3doz s ARG 24 Cb -0.33 0.42 -0.15 0.00 -0.45 0.00 0.00 34.95 34.44 3doz s ARG 24 CO 0.44 -0.53 1.11 0.98 -0.68 0.00 0.00 175.30 176.61 3doz n TYR 25 N -0.31 1.22 -1.80 -0.53 4.19 -1.26 -0.12 117.16 118.56 3doz n TYR 25 Ca -0.04 0.70 -0.38 0.00 3.31 0.00 0.00 57.90 61.49 3doz n TYR 25 Cb 0.63 -2.26 0.05 0.00 0.49 0.00 0.00 39.34 38.24 3doz n TYR 25 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 3doz n PRO 26 N 1.51 2.80 -0.17 2.98 -0.04 -1.26 -4.92 135.00 135.89 3doz n PRO 26 Ca 0.14 -3.54 0.02 0.00 -0.04 0.00 0.00 63.50 60.09 3doz n PRO 26 Cb 0.26 -2.27 0.03 0.00 -0.04 0.00 0.00 33.50 31.48 3doz n PRO 26 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 3doz n MET 27 N -0.64 0.90 -3.35 0.54 2.81 0.83 -4.95 117.12 113.26 3doz n MET 27 Ca 0.55 -1.36 -0.44 0.00 -1.81 0.00 0.00 57.70 54.64 3doz n MET 27 Cb 0.38 -0.84 -0.08 0.00 -0.71 0.00 0.00 33.22 31.98 3doz n MET 27 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 3doz s LEU 28 N -0.90 5.39 -0.41 4.03 2.96 -1.19 -4.58 118.68 123.99 3doz s LEU 28 Ca 0.08 -1.15 0.05 0.00 -0.22 0.00 0.00 54.13 52.88 3doz s LEU 28 Cb 0.07 -2.24 0.48 0.00 0.50 0.00 0.00 46.19 45.00 3doz s LEU 28 CO 0.01 -0.66 1.54 0.18 -1.32 0.00 0.00 176.35 176.10 3doz n LEU 29 N 5.40 5.57 -3.73 -0.68 4.77 -1.26 -4.89 117.00 122.18 3doz n LEU 29 Ca -0.11 -4.30 -0.22 0.00 -0.03 0.00 0.00 56.01 51.35 3doz n LEU 29 Cb 0.45 -0.63 -0.18 0.00 -2.33 0.00 0.00 43.42 40.73 3doz n LEU 29 CO 0.48 1.64 -0.36 -0.69 -1.33 0.00 0.00 177.39 177.12 3doz s VAL 30 N -4.22 0.20 -0.12 4.08 1.01 -1.26 -4.57 120.40 115.52 3doz s VAL 30 Ca 0.53 0.17 0.13 0.00 0.00 0.00 0.00 61.98 62.82 3doz s VAL 30 Cb 0.44 -0.43 -0.24 0.00 0.00 0.00 0.00 36.38 36.15 3doz s VAL 30 CO 0.01 0.18 0.38 0.47 0.00 0.00 0.00 175.10 176.14 3doz n ASP 31 N 5.20 0.63 -3.60 3.32 10.43 -0.17 -4.94 116.55 127.43 3doz n ASP 31 Ca -0.06 0.22 -0.15 0.00 2.57 0.00 0.00 54.79 57.38 3doz n ASP 31 Cb 0.50 0.31 -0.07 0.00 1.84 0.00 0.00 41.12 43.70 3doz n ASP 31 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 3doz s ARG 32 N -2.55 0.88 -0.30 -1.24 3.52 -1.01 -3.01 118.95 115.23 3doz s ARG 32 Ca -0.09 0.74 -0.10 0.00 -0.13 0.00 0.00 55.73 56.15 3doz s ARG 32 Cb 0.07 0.42 -0.02 0.00 -1.56 0.00 0.00 34.95 33.87 3doz s ARG 32 CO 0.82 -0.17 0.17 0.42 -0.81 0.00 0.00 175.30 175.73 3doz s ILE 33 N -0.12 4.81 -0.16 4.11 -1.09 0.56 -1.60 121.20 127.71 3doz s ILE 33 Ca -0.03 -0.26 -0.11 0.00 -2.23 0.00 0.00 60.65 58.01 3doz s ILE 33 Cb -0.03 -3.41 -0.23 0.00 -1.58 0.00 0.00 42.46 37.20 3doz s ILE 33 CO 0.03 0.11 0.28 0.35 -1.23 0.00 0.00 174.94 174.48 3doz n THR 34 N 5.01 1.69 -4.14 2.92 -2.24 0.55 -0.96 114.28 117.11 3doz n THR 34 Ca -0.14 -0.45 -0.16 0.00 -2.27 0.00 0.00 64.05 61.03 3doz n THR 34 Cb 0.50 -1.83 -0.14 0.00 -2.10 0.00 0.00 70.33 66.76 3doz n THR 34 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3doz s GLU 35 N -2.49 0.41 -0.15 -0.78 2.12 -0.79 -4.31 118.70 112.71 3doz s GLU 35 Ca -0.25 -0.17 -0.06 0.00 0.36 0.00 0.00 54.97 54.85 3doz s GLU 35 Cb 0.07 -0.40 0.07 0.00 0.26 0.00 0.00 34.13 34.12 3doz s GLU 35 CO 0.70 0.10 0.31 -1.17 -0.54 0.00 0.00 175.26 174.66 3doz s LEU 36 N -0.07 -0.31 -0.28 2.70 0.20 -1.21 -0.29 118.68 119.41 3doz s LEU 36 Ca 0.01 0.70 0.01 0.00 0.69 0.00 0.00 54.13 55.55 3doz s LEU 36 Cb -0.02 0.90 0.06 0.00 -0.43 0.00 0.00 46.19 46.70 3doz s LEU 36 CO -0.00 -0.23 -0.05 -1.10 -0.29 0.00 0.00 176.35 174.68 3doz s GLN 37 N 2.31 2.29 0.04 1.98 -0.21 0.48 -4.66 119.66 121.89 3doz s GLN 37 Ca -0.01 -1.34 -0.38 0.00 0.02 0.00 0.00 55.36 53.65 3doz s GLN 37 Cb -0.12 -3.04 -0.19 0.00 1.00 0.00 0.00 33.01 30.66 3doz s GLN 37 CO -0.10 -0.61 1.04 0.00 -2.12 0.00 0.00 175.29 173.50 3doz n ALA 38 N 4.51 -3.20 -0.80 6.09 0.00 -1.26 -0.41 120.51 125.45 3doz n ALA 38 Ca -0.13 0.57 -0.01 0.00 0.00 0.00 0.00 53.44 53.87 3doz n ALA 38 Cb 0.43 -1.79 -0.01 0.00 0.00 0.00 0.00 19.45 18.08 3doz n ALA 38 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3doz n ASN 39 N 1.68 -4.40 0.04 0.00 4.13 -1.26 -4.67 115.26 110.77 3doz n ASN 39 Ca 0.19 0.03 0.00 0.00 1.68 0.00 0.00 54.58 56.49 3doz n ASN 39 Cb 0.12 -2.81 0.00 0.00 -1.54 0.00 0.00 39.78 35.55 3doz n ASN 39 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3doz n GLN 40 N 0.50 0.00 -3.83 3.52 6.02 0.46 -4.70 117.38 119.34 3doz n GLN 40 Ca -0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.90 3doz n GLN 40 Cb 0.38 -0.32 0.00 0.00 1.02 0.00 0.00 30.24 31.33 3doz n GLN 40 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 3doz s LYS 41 N -1.70 2.01 -0.18 -1.09 -2.85 -0.70 -0.62 119.74 114.61 3doz s LYS 41 Ca 0.00 -1.22 -0.27 0.00 -1.00 0.00 0.00 55.97 53.48 3doz s LYS 41 Cb 0.00 0.61 0.07 0.00 -2.06 0.00 0.00 37.83 36.45 3doz s LYS 41 CO 0.00 -0.93 0.70 -1.50 0.10 0.00 0.00 175.35 173.72 3doz s ILE 42 N -3.03 0.00 -0.13 3.79 2.07 -0.12 -0.39 121.20 123.39 3doz s ILE 42 Ca 0.14 -0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.39 3doz s ILE 42 Cb -0.05 -0.99 0.01 0.00 0.13 0.00 0.00 42.46 41.56 3doz s ILE 42 CO 0.09 -0.00 -0.18 -0.69 -1.91 0.00 0.00 174.94 172.25 3doz s VAL 43 N -0.25 1.73 0.24 4.00 1.01 0.60 -1.86 120.40 125.86 3doz s VAL 43 Ca -0.04 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.19 3doz s VAL 43 Cb -0.03 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 3doz s VAL 43 CO 0.05 0.49 0.27 0.00 0.00 0.00 0.00 175.10 175.90 3doz n ALA 44 N 4.21 0.18 -3.56 5.51 0.00 -0.62 -0.33 120.51 125.90 3doz n ALA 44 Ca -0.19 -1.29 -0.08 0.00 0.00 0.00 0.00 53.44 51.88 3doz n ALA 44 Cb 0.51 1.04 -0.02 0.00 0.00 0.00 0.00 19.45 20.98 3doz n ALA 44 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3doz s TYR 45 N -3.20 -0.34 -0.08 0.00 1.13 -0.63 0.98 117.35 115.21 3doz s TYR 45 Ca 0.25 0.13 0.01 0.00 -1.41 0.00 0.00 57.07 56.05 3doz s TYR 45 Cb 0.00 0.58 0.02 0.00 -1.10 0.00 0.00 41.96 41.46 3doz s TYR 45 CO 0.18 -0.74 -0.08 0.21 -2.51 0.00 0.00 175.55 172.61 3doz s LYS 46 N -3.38 1.36 0.32 -3.49 2.20 -0.36 -0.99 119.74 115.40 3doz s LYS 46 Ca 0.06 -0.25 -0.28 0.00 -0.36 0.00 0.00 55.97 55.14 3doz s LYS 46 Cb -0.01 -1.30 -0.09 0.00 -1.51 0.00 0.00 37.83 34.92 3doz s LYS 46 CO -0.07 -0.11 1.07 -0.80 -0.36 0.00 0.00 175.35 175.08 3doz s ASN 47 N 1.14 7.13 -0.22 1.43 0.01 -1.26 -2.18 114.94 120.98 3doz s ASN 47 Ca -0.06 2.16 -0.06 0.00 -0.71 0.00 0.00 52.86 54.18 3doz s ASN 47 Cb -0.14 -2.61 -0.03 0.00 0.41 0.00 0.00 41.25 38.88 3doz s ASN 47 CO -0.01 -0.23 0.04 -0.63 -1.51 0.00 0.00 177.10 174.75 3doz s ILE 48 N -1.34 4.26 0.10 0.60 -1.09 0.06 -4.93 121.20 118.86 3doz s ILE 48 Ca 0.49 -0.20 0.04 0.00 -2.23 0.00 0.00 60.65 58.75 3doz s ILE 48 Cb -0.28 -2.95 -0.04 0.00 -1.58 0.00 0.00 42.46 37.61 3doz s ILE 48 CO 0.36 0.39 -0.11 0.28 -1.23 0.00 0.00 174.94 174.63 3doz s THR 49 N 1.16 1.04 0.25 2.92 -1.32 -1.26 -0.18 115.64 118.24 3doz s THR 49 Ca 0.04 -1.62 0.36 0.00 -1.21 0.00 0.00 61.69 59.25 3doz s THR 49 Cb -0.14 -1.36 0.40 0.00 -1.51 0.00 0.00 72.50 69.88 3doz s THR 49 CO 0.03 -0.50 2.07 0.15 -2.21 0.00 0.00 174.62 174.16 3doz h PHE 50 N 3.62 0.00 -0.01 9.09 3.57 -1.96 -3.23 116.94 128.02 3doz h PHE 50 Ca -0.38 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.11 3doz h PHE 50 Cb 1.19 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.93 3doz h PHE 50 CO 0.64 0.01 0.01 -1.71 -2.23 0.00 0.00 178.31 175.03 3doz n ASN 51 N -3.12 4.87 -4.33 0.41 4.05 -1.26 -4.78 115.26 111.09 3doz n ASN 51 Ca -0.00 -2.34 -0.32 0.00 0.45 0.00 0.00 54.58 52.37 3doz n ASN 51 Cb 0.25 -0.99 -0.15 0.00 1.23 0.00 0.00 39.78 40.12 3doz n ASN 51 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3doz s GLU 52 N -0.05 2.70 0.38 1.20 2.02 -1.22 -5.03 118.70 118.70 3doz s GLU 52 Ca 0.01 -0.82 0.11 0.00 0.02 0.00 0.00 54.97 54.29 3doz s GLU 52 Cb 0.01 -2.29 0.89 0.00 0.10 0.00 0.00 34.13 32.84 3doz s GLU 52 CO 0.00 0.40 1.88 0.22 0.02 0.00 0.00 175.26 177.78 3doz h ASP 53 N 6.04 0.57 -0.97 -0.19 3.58 -1.94 -2.35 116.42 121.16 3doz h ASP 53 Ca -0.34 0.04 0.24 0.00 0.42 0.00 0.00 57.03 57.39 3doz h ASP 53 Cb 1.18 -0.08 -0.12 0.00 1.72 0.00 0.00 39.33 42.03 3doz h ASP 53 CO 0.49 0.29 0.54 0.58 -2.88 0.00 0.00 179.24 178.26 3doz h VAL 54 N 0.60 0.52 0.00 2.25 2.07 -1.95 -0.24 116.25 119.50 3doz h VAL 54 Ca 0.43 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.77 3doz h VAL 54 Cb 0.77 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3doz h VAL 54 CO -0.18 0.10 0.00 0.49 0.02 0.00 0.00 177.57 178.00 3doz n PHE 55 N -4.93 0.43 0.22 1.57 3.01 -0.88 -2.30 117.46 114.58 3doz n PHE 55 Ca 0.26 0.19 0.06 0.00 1.01 0.00 0.00 57.45 58.96 3doz n PHE 55 Cb 0.72 -0.81 0.53 0.00 -0.01 0.00 0.00 39.48 39.92 3doz n PHE 55 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 3doz h ASN 56 N 0.00 0.02 0.00 4.37 2.35 -1.21 -3.26 115.58 117.85 3doz h ASN 56 Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3doz h ASN 56 Cb 0.18 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.55 3doz h ASN 56 CO 0.00 0.14 -0.15 0.61 -1.65 0.00 0.00 177.43 176.38 3doz n GLY 57 N -1.17 2.65 2.36 2.83 0.00 -0.97 -4.19 105.19 106.69 3doz n GLY 57 Ca -0.02 -0.55 -0.19 0.00 0.00 0.00 0.00 46.02 45.26 3doz n GLY 57 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3doz n HIS 58 N -0.76 -1.22 -4.39 1.61 -0.00 -1.14 -4.65 115.22 104.67 3doz n HIS 58 Ca 0.08 -3.05 -0.20 0.00 -0.00 0.00 0.00 57.72 54.55 3doz n HIS 58 Cb 0.59 0.22 -0.10 0.00 -0.00 0.00 0.00 29.99 30.71 3doz n HIS 58 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3doz s PHE 59 N -0.72 1.74 0.15 1.57 0.40 -0.40 -1.49 117.98 119.24 3doz s PHE 59 Ca 0.34 -1.12 -0.33 0.00 -0.60 0.00 0.00 56.93 55.22 3doz s PHE 59 Cb 0.20 -1.08 -0.13 0.00 0.51 0.00 0.00 43.02 42.52 3doz s PHE 59 CO -0.14 -0.21 1.67 -2.30 0.70 0.00 0.00 175.22 174.93 3doz n PRO 60 N -0.62 2.40 -0.85 0.24 -0.02 -1.26 -1.15 135.00 133.74 3doz n PRO 60 Ca -0.01 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3doz n PRO 60 Cb 0.66 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 3doz n PRO 60 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3doz n ASN 61 N 4.04 -1.84 -2.85 2.55 4.13 -1.26 -4.85 115.26 115.18 3doz n ASN 61 Ca 0.17 0.00 -0.10 0.00 1.68 0.00 0.00 54.58 56.33 3doz n ASN 61 Cb 0.31 -1.57 0.01 0.00 -1.54 0.00 0.00 39.78 37.00 3doz n ASN 61 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 3doz n LYS 62 N -1.58 0.65 -2.10 3.52 3.00 -0.30 -5.13 118.16 116.21 3doz n LYS 62 Ca 0.00 -2.10 -0.42 0.00 -0.00 0.00 0.00 58.31 55.79 3doz n LYS 62 Cb 0.10 -1.46 -0.03 0.00 0.00 0.00 0.00 35.03 33.65 3doz n LYS 62 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3doz s PRO 63 N 0.51 4.25 -0.09 1.64 0.04 -1.19 -1.27 135.00 138.88 3doz s PRO 63 Ca 0.32 2.11 -0.04 0.00 0.04 0.00 0.00 61.00 63.43 3doz s PRO 63 Cb 0.13 -3.59 0.05 0.00 0.04 0.00 0.00 34.50 31.13 3doz s PRO 63 CO -0.17 -0.64 0.18 0.42 0.04 0.00 0.00 177.00 176.83 3doz s ILE 64 N 2.53 -0.28 0.12 0.56 1.01 -0.56 -4.62 121.20 119.97 3doz s ILE 64 Ca 0.68 0.33 -0.31 0.00 0.00 0.00 0.00 60.65 61.35 3doz s ILE 64 Cb -0.35 -0.32 -0.10 0.00 0.01 0.00 0.00 42.46 41.70 3doz s ILE 64 CO 0.29 0.14 1.69 0.12 0.00 0.00 0.00 174.94 177.18 3doz s PHE 65 N 2.26 2.54 0.21 3.97 5.36 -0.21 -4.59 117.98 127.52 3doz s PHE 65 Ca 0.02 0.29 -0.32 0.00 -0.96 0.00 0.00 56.93 55.96 3doz s PHE 65 Cb -0.12 -4.03 -0.13 0.00 -0.34 0.00 0.00 43.02 38.39 3doz s PHE 65 CO -0.06 -4.10 1.56 -2.30 -1.46 0.00 0.00 175.22 168.86 3doz n PRO 66 N 5.09 2.30 -0.24 10.12 -0.02 -1.26 -4.60 135.00 146.40 3doz n PRO 66 Ca 0.16 0.83 -0.01 0.00 -2.02 0.00 0.00 63.50 62.45 3doz n PRO 66 Cb 0.39 -2.58 0.10 0.00 -0.02 0.00 0.00 33.50 31.39 3doz n PRO 66 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3doz h GLY 67 N 5.39 1.00 1.55 -1.23 0.00 -1.99 -1.59 103.07 106.20 3doz h GLY 67 Ca -0.45 -0.26 0.03 0.00 0.00 0.00 0.00 47.33 46.65 3doz h GLY 67 CO 0.85 0.15 0.24 -0.39 0.00 0.00 0.00 176.54 177.39 3doz h VAL 68 N 0.69 1.03 0.00 4.60 -1.51 -2.00 -1.05 116.25 118.00 3doz h VAL 68 Ca 0.31 -0.13 -0.12 0.00 -1.23 0.00 0.00 66.70 65.52 3doz h VAL 68 Cb 0.20 0.61 -0.02 0.00 -2.13 0.00 0.00 31.29 29.96 3doz h VAL 68 CO -0.19 0.07 -0.59 -0.07 -1.23 0.00 0.00 177.57 175.56 3doz h LEU 69 N 0.38 0.00 -1.02 4.19 3.38 -1.67 -1.56 115.31 119.01 3doz h LEU 69 Ca 0.15 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 3doz h LEU 69 Cb 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3doz h LEU 69 CO -0.03 0.59 -0.05 0.40 0.09 0.00 0.00 178.44 179.43 3doz h ILE 70 N 0.00 1.23 -0.30 1.22 2.04 -0.86 0.13 117.51 120.97 3doz h ILE 70 Ca -0.01 -0.99 -0.11 0.00 1.00 0.00 0.00 64.86 64.76 3doz h ILE 70 Cb 1.07 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 3doz h ILE 70 CO 0.08 0.34 -0.24 0.58 0.00 0.00 0.00 178.15 178.90 3doz h VAL 71 N 0.60 1.30 -0.69 1.67 2.07 -1.12 -1.73 116.25 118.34 3doz h VAL 71 Ca 0.12 -1.39 0.07 0.00 0.82 0.00 0.00 66.70 66.32 3doz h VAL 71 Cb 0.46 1.53 -0.06 0.00 -1.52 0.00 0.00 31.29 31.70 3doz h VAL 71 CO 0.02 0.45 0.38 -0.08 0.02 0.00 0.00 177.57 178.35 3doz h GLU 72 N 0.44 0.66 -0.46 1.57 4.57 -0.69 0.19 114.58 120.85 3doz h GLU 72 Ca 0.05 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.14 3doz h GLU 72 Cb 0.80 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.22 3doz h GLU 72 CO 0.06 0.43 0.06 0.78 -1.18 0.00 0.00 179.01 179.17 3doz h GLY 73 N 0.67 0.78 1.11 1.92 0.00 -0.55 -0.19 103.07 106.82 3doz h GLY 73 Ca 0.32 -0.46 -0.13 0.00 0.00 0.00 0.00 47.33 47.06 3doz h GLY 73 CO -0.21 0.43 -0.18 -0.33 0.00 0.00 0.00 176.54 176.26 3doz h MET 74 N 0.69 1.02 -0.31 4.80 2.86 -0.18 -1.93 114.93 121.89 3doz h MET 74 Ca 0.15 -0.42 -0.04 0.00 -2.06 0.00 0.00 59.70 57.33 3doz h MET 74 Cb 0.34 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 3doz h MET 74 CO 0.01 1.10 0.04 0.00 1.06 0.00 0.00 176.91 179.12 3doz h ALA 75 N 0.89 0.41 -1.01 6.32 0.00 -0.22 -0.58 119.26 125.08 3doz h ALA 75 Ca 0.12 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3doz h ALA 75 Cb 0.76 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 3doz h ALA 75 CO 0.06 0.12 0.65 1.96 0.00 0.00 0.00 179.25 182.05 3doz h GLN 76 N 0.34 1.19 -0.12 0.00 4.20 -0.95 0.38 115.11 120.15 3doz h GLN 76 Ca 0.09 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 3doz h GLN 76 Cb 0.37 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3doz h GLN 76 CO 0.01 0.79 0.04 0.77 -0.67 0.00 0.00 178.83 179.77 3doz h SER 77 N 1.22 0.17 -0.46 1.46 0.02 -1.11 -0.72 113.55 114.14 3doz h SER 77 Ca 0.42 -0.19 0.07 0.00 -0.84 0.00 0.00 61.79 61.25 3doz h SER 77 Cb 0.09 -0.04 -0.06 0.00 0.14 0.00 0.00 62.40 62.53 3doz h SER 77 CO -0.15 0.31 0.12 1.23 -1.14 0.00 0.00 176.83 177.20 3doz h GLY 78 N 0.02 0.57 1.31 -3.77 0.00 0.27 -1.60 103.07 99.86 3doz h GLY 78 Ca 0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 3doz h GLY 78 CO -0.00 -0.03 0.41 -1.33 0.00 0.00 0.00 176.54 175.59 3doz h GLY 79 N 0.26 0.98 1.81 4.60 0.00 0.01 0.40 103.07 111.14 3doz h GLY 79 Ca 0.22 -0.40 -0.07 0.00 0.00 0.00 0.00 47.33 47.09 3doz h GLY 79 CO -0.27 0.39 -0.22 -2.75 0.00 0.00 0.00 176.54 173.69 3doz h PHE 80 N 0.94 0.24 0.03 5.60 3.57 -0.20 -0.46 116.94 126.66 3doz h PHE 80 Ca 0.25 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 3doz h PHE 80 Cb -0.04 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.63 3doz h PHE 80 CO 0.00 0.43 -0.01 1.25 -2.23 0.00 0.00 178.31 177.75 3doz h LEU 81 N 0.21 -0.03 -0.74 0.59 5.85 -0.60 -2.42 115.31 118.16 3doz h LEU 81 Ca 0.04 -0.69 0.17 0.00 0.84 0.00 0.00 57.88 58.23 3doz h LEU 81 Cb 0.51 0.01 -0.12 0.00 0.37 0.00 0.00 40.66 41.43 3doz h LEU 81 CO 0.03 0.74 0.12 0.00 -0.34 0.00 0.00 178.44 178.99 3doz h ALA 82 N -0.03 0.90 0.34 1.25 0.00 -0.06 -0.17 119.26 121.49 3doz h ALA 82 Ca -0.00 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3doz h ALA 82 Cb 0.72 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3doz h ALA 82 CO 0.01 -0.38 -0.16 0.35 0.00 0.00 0.00 179.25 179.06 3doz h PHE 83 N 0.20 -0.42 -0.41 0.00 3.57 -1.15 -3.19 116.94 115.53 3doz h PHE 83 Ca 0.42 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.98 3doz h PHE 83 Cb 0.74 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.59 3doz h PHE 83 CO -0.32 -0.09 0.28 1.79 -2.23 0.00 0.00 178.31 177.75 3doz h THR 84 N -0.91 0.91 -0.29 4.41 1.35 -1.19 -0.46 112.91 116.73 3doz h THR 84 Ca -0.05 -0.08 -0.02 0.00 -0.55 0.00 0.00 66.41 65.72 3doz h THR 84 Cb 0.53 0.66 -0.02 0.00 -1.73 0.00 0.00 68.15 67.59 3doz h THR 84 CO 0.08 0.04 0.10 0.28 -0.25 0.00 0.00 175.52 175.77 3doz h SER 85 N 0.23 0.37 0.06 5.36 0.02 -1.05 0.34 113.55 118.87 3doz h SER 85 Ca 0.18 -0.03 -0.20 0.00 -0.84 0.00 0.00 61.79 60.90 3doz h SER 85 Cb 0.43 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 3doz h SER 85 CO -0.03 0.35 -2.15 0.18 -1.14 0.00 0.00 176.83 174.04 3doz n LEU 86 N -4.40 0.07 0.00 5.07 4.32 -0.38 -4.68 117.00 116.99 3doz n LEU 86 Ca 0.01 0.03 0.00 0.00 -0.02 0.00 0.00 56.01 56.03 3doz n LEU 86 Cb 0.14 0.26 0.00 0.00 -1.62 0.00 0.00 43.42 42.20 3doz n LEU 86 CO 0.36 0.26 0.20 0.79 -1.22 0.00 0.00 177.39 177.78 3doz n TRP 87 N -2.55 0.00 -4.90 -1.77 8.01 -0.32 -5.13 117.44 110.78 3doz n TRP 87 Ca -0.19 -0.08 0.00 0.00 -1.31 0.00 0.00 57.50 55.92 3doz n TRP 87 Cb 0.89 -0.01 0.00 0.00 -2.01 0.00 0.00 31.31 30.18 3doz n TRP 87 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3doz n GLY 88 N -0.08 0.02 3.55 6.99 0.00 0.12 -3.91 105.19 111.88 3doz n GLY 88 Ca 0.00 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 3doz n GLY 88 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3doz s PHE 89 N 0.00 2.60 -0.56 1.61 5.36 -1.26 -4.39 117.98 121.34 3doz s PHE 89 Ca 0.00 -0.91 0.04 0.00 -0.96 0.00 0.00 56.93 55.10 3doz s PHE 89 Cb 0.00 -4.66 0.14 0.00 -0.34 0.00 0.00 43.02 38.17 3doz s PHE 89 CO 0.00 -1.89 0.32 0.34 -1.46 0.00 0.00 175.22 172.53 3doz s ASP 90 N 4.83 4.32 0.38 6.13 -1.08 -1.25 -4.97 116.67 125.02 3doz s ASP 90 Ca 0.45 -3.19 0.09 0.00 -0.52 0.00 0.00 52.55 49.38 3doz s ASP 90 Cb -0.00 -1.55 0.85 0.00 -1.46 0.00 0.00 42.92 40.75 3doz s ASP 90 CO -0.10 -0.20 1.92 -0.65 0.52 0.00 0.00 175.17 176.66 3doz h PRO 91 N 6.22 0.63 0.10 4.34 0.11 -1.90 0.34 132.00 141.84 3doz h PRO 91 Ca -0.01 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 3doz h PRO 91 Cb 0.86 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.83 3doz h PRO 91 CO 0.67 0.42 -0.05 0.93 -0.21 0.00 0.00 178.00 179.76 3doz h GLU 92 N 0.65 -0.13 -0.42 1.05 4.39 -1.93 -2.57 114.58 115.61 3doz h GLU 92 Ca 0.37 0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.99 3doz h GLU 92 Cb 0.57 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 3doz h GLU 92 CO -0.14 0.15 -0.08 0.82 -1.16 0.00 0.00 179.01 178.59 3doz h ILE 93 N -0.41 1.27 -0.81 3.13 2.04 -1.89 -3.06 117.51 117.78 3doz h ILE 93 Ca -0.01 -1.17 0.19 0.00 1.00 0.00 0.00 64.86 64.87 3doz h ILE 93 Cb 0.34 1.16 -0.12 0.00 -0.74 0.00 0.00 36.82 37.46 3doz h ILE 93 CO 0.02 0.40 0.24 0.00 0.00 0.00 0.00 178.15 178.81 3doz h ALA 94 N 0.86 1.13 0.00 1.87 0.00 -0.92 0.36 119.26 122.56 3doz h ALA 94 Ca 0.11 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3doz h ALA 94 Cb 0.60 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3doz h ALA 94 CO 0.04 -0.36 0.00 0.36 0.00 0.00 0.00 179.25 179.29 3doz n LYS 95 N -5.14 0.72 -0.90 0.00 2.85 -0.97 -2.35 118.16 112.36 3doz n LYS 95 Ca 0.17 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.36 3doz n LYS 95 Cb 0.55 -1.16 0.19 0.00 -0.65 0.00 0.00 35.03 33.96 3doz n LYS 95 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3doz n THR 96 N -0.66 2.65 -3.98 0.58 -2.24 0.13 -4.99 114.28 105.76 3doz n THR 96 Ca 0.05 -2.74 -0.09 0.00 -2.27 0.00 0.00 64.05 59.00 3doz n THR 96 Cb 0.02 -0.37 -0.05 0.00 -2.10 0.00 0.00 70.33 67.83 3doz n THR 96 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3doz s LYS 97 N -3.29 1.60 -0.08 -0.78 -0.14 -0.99 -4.40 119.74 111.66 3doz s LYS 97 Ca 0.46 -1.24 -0.23 0.00 -1.36 0.00 0.00 55.97 53.60 3doz s LYS 97 Cb 0.42 0.49 0.05 0.00 -1.68 0.00 0.00 37.83 37.11 3doz s LYS 97 CO 0.01 -0.68 0.54 0.96 -0.76 0.00 0.00 175.35 175.42 3doz s ILE 98 N -3.94 0.02 -0.11 2.17 -4.36 0.22 -4.83 121.20 110.36 3doz s ILE 98 Ca 0.21 -0.14 -0.02 0.00 -0.26 0.00 0.00 60.65 60.44 3doz s ILE 98 Cb -0.01 -0.84 -0.03 0.00 1.25 0.00 0.00 42.46 42.83 3doz s ILE 98 CO 0.09 -0.08 -0.02 0.68 0.24 0.00 0.00 174.94 175.86 3doz s VAL 99 N -0.87 4.11 -0.01 8.37 -7.23 -1.26 -0.53 120.40 122.99 3doz s VAL 99 Ca -0.09 -0.30 0.02 0.00 -1.81 0.00 0.00 61.98 59.79 3doz s VAL 99 Cb -0.03 -2.76 -0.00 0.00 0.56 0.00 0.00 36.38 34.16 3doz s VAL 99 CO 0.06 0.56 -0.06 -0.72 -0.31 0.00 0.00 175.10 174.63 3doz s TYR 100 N -0.37 0.50 0.17 2.82 -0.00 -0.50 -4.96 117.35 115.01 3doz s TYR 100 Ca 0.07 -0.10 -0.33 0.00 -0.00 0.00 0.00 57.07 56.71 3doz s TYR 100 Cb -0.12 -0.33 -0.12 0.00 -0.00 0.00 0.00 41.96 41.38 3doz s TYR 100 CO 0.02 -0.01 1.70 1.19 -0.00 0.00 0.00 175.55 178.45 3doz n PHE 101 N 2.98 2.55 -0.11 -3.49 3.01 -1.26 -1.51 117.46 119.63 3doz n PHE 101 Ca -0.13 0.09 -0.19 0.00 1.01 0.00 0.00 57.45 58.23 3doz n PHE 101 Cb 0.58 -2.64 -0.09 0.00 -0.01 0.00 0.00 39.48 37.33 3doz n PHE 101 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 3doz n MET 102 N 4.15 0.48 -3.62 -1.08 2.81 0.67 -4.92 117.12 115.61 3doz n MET 102 Ca 0.17 0.16 -0.15 0.00 -1.81 0.00 0.00 57.70 56.08 3doz n MET 102 Cb 0.33 -1.34 -0.06 0.00 -0.71 0.00 0.00 33.22 31.44 3doz n MET 102 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3doz s THR 103 N -2.40 0.03 0.01 2.03 -4.23 -0.90 -4.99 115.64 105.20 3doz s THR 103 Ca -0.29 -0.27 0.04 0.00 -1.18 0.00 0.00 61.69 59.99 3doz s THR 103 Cb 0.10 -0.90 -0.01 0.00 1.34 0.00 0.00 72.50 73.02 3doz s THR 103 CO 0.42 -0.15 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.60 3doz s ILE 104 N -1.86 0.98 0.09 2.99 1.01 -1.26 -1.13 121.20 122.01 3doz s ILE 104 Ca -0.09 -0.73 -0.14 0.00 0.00 0.00 0.00 60.65 59.70 3doz s ILE 104 Cb -0.02 -0.86 0.02 0.00 0.01 0.00 0.00 42.46 41.62 3doz s ILE 104 CO 0.03 0.13 0.33 -0.62 0.00 0.00 0.00 174.94 174.80 3doz s ASP 105 N -0.68 -0.13 -1.70 3.58 -1.08 0.44 -4.96 116.67 112.14 3doz s ASP 105 Ca 0.03 -0.34 -0.17 0.00 -0.52 0.00 0.00 52.55 51.55 3doz s ASP 105 Cb -0.06 0.41 0.15 0.00 -1.46 0.00 0.00 42.92 41.96 3doz s ASP 105 CO 0.00 -0.75 0.69 0.29 0.52 0.00 0.00 175.17 175.93 3doz n LYS 106 N 0.08 -2.70 -3.07 4.34 5.02 -1.26 -1.40 118.16 119.16 3doz n LYS 106 Ca -0.17 0.33 -0.39 0.00 -2.02 0.00 0.00 58.31 56.06 3doz n LYS 106 Cb 0.62 -4.93 -0.06 0.00 -0.02 0.00 0.00 35.03 30.65 3doz n LYS 106 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3doz s VAL 107 N -3.39 4.62 -0.00 -0.18 0.11 -1.26 -4.13 120.40 116.17 3doz s VAL 107 Ca 0.66 1.52 0.03 0.00 -2.93 0.00 0.00 61.98 61.26 3doz s VAL 107 Cb -0.37 -4.05 -0.01 0.00 -1.53 0.00 0.00 36.38 30.42 3doz s VAL 107 CO 0.94 0.47 -0.10 -0.54 -3.33 0.00 0.00 175.10 172.54 3doz s LYS 108 N -0.70 0.80 -0.43 1.54 1.02 -0.57 -4.96 119.74 116.44 3doz s LYS 108 Ca 0.34 -0.41 0.01 0.00 0.02 0.00 0.00 55.97 55.94 3doz s LYS 108 Cb -0.21 -0.77 0.12 0.00 -0.52 0.00 0.00 37.83 36.45 3doz s LYS 108 CO 0.23 0.21 0.19 -0.06 -0.92 0.00 0.00 175.35 174.99 3doz s PHE 109 N -0.33 3.56 -0.08 3.18 2.99 -1.26 -1.77 117.98 124.26 3doz s PHE 109 Ca 0.03 -2.82 -0.16 0.00 0.00 0.00 0.00 56.93 53.98 3doz s PHE 109 Cb -0.04 -3.04 -0.29 0.00 0.00 0.00 0.00 43.02 39.65 3doz s PHE 109 CO -0.00 -0.91 0.64 0.00 -0.00 0.00 0.00 175.22 174.95 3doz h ARG 110 N 7.47 0.28 -4.33 0.44 3.08 -1.53 -3.47 114.38 116.32 3doz h ARG 110 Ca -0.07 -0.48 -0.50 0.00 0.07 0.00 0.00 59.98 58.99 3doz h ARG 110 Cb 1.00 0.18 -0.35 0.00 0.08 0.00 0.00 29.97 30.88 3doz h ARG 110 CO 0.63 1.23 -0.80 0.42 -1.07 0.00 0.00 179.97 180.38 3doz s ILE 111 N -2.49 0.99 0.37 2.04 1.01 -1.02 -5.03 121.20 117.07 3doz s ILE 111 Ca -0.18 -0.34 -0.28 0.00 0.00 0.00 0.00 60.65 59.85 3doz s ILE 111 Cb 0.04 -0.96 -0.11 0.00 0.01 0.00 0.00 42.46 41.45 3doz s ILE 111 CO 0.79 0.34 1.45 -2.16 0.00 0.00 0.00 174.94 175.36 3doz s PRO 112 N 1.10 4.13 -0.15 2.79 0.04 -1.26 -4.76 135.00 136.89 3doz s PRO 112 Ca -0.07 2.50 -0.08 0.00 0.04 0.00 0.00 61.00 63.39 3doz s PRO 112 Cb -0.14 -2.97 -0.04 0.00 0.04 0.00 0.00 34.50 31.38 3doz s PRO 112 CO -0.01 -0.48 0.13 0.08 0.04 0.00 0.00 177.00 176.75 3doz s VAL 113 N -1.13 5.42 0.09 -0.36 1.01 -1.26 -5.03 120.40 119.14 3doz s VAL 113 Ca 0.52 0.18 -0.00 0.00 0.00 0.00 0.00 61.98 62.69 3doz s VAL 113 Cb -0.45 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 3doz s VAL 113 CO 0.61 0.55 -0.01 0.42 0.00 0.00 0.00 175.10 176.67 3doz s THR 114 N -0.48 0.33 0.05 3.92 -4.23 -1.26 -1.05 115.64 112.93 3doz s THR 114 Ca 0.12 -1.88 -0.38 0.00 -1.18 0.00 0.00 61.69 58.38 3doz s THR 114 Cb -0.12 -1.74 -0.18 0.00 1.34 0.00 0.00 72.50 71.80 3doz s THR 114 CO 0.02 -0.79 1.19 -2.65 -0.54 0.00 0.00 174.62 171.84 3doz n PRO 115 N -0.00 0.60 0.00 3.99 -0.02 -1.26 -1.06 135.00 137.24 3doz n PRO 115 Ca -0.11 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 3doz n PRO 115 Cb 0.62 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.33 3doz n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3doz n GLY 116 N 2.01 0.86 3.83 -1.23 0.00 0.74 -4.93 105.19 106.48 3doz n GLY 116 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 3doz n GLY 116 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3doz s ASP 117 N -1.88 6.92 -0.64 1.61 -0.00 -0.22 -4.91 116.67 117.55 3doz s ASP 117 Ca 0.00 1.44 -0.06 0.00 -0.00 0.00 0.00 52.55 53.93 3doz s ASP 117 Cb 0.00 -2.43 0.17 0.00 -0.00 0.00 0.00 42.92 40.65 3doz s ASP 117 CO 0.00 -0.17 0.48 -0.60 -0.00 0.00 0.00 175.17 174.89 3doz s ARG 118 N -2.71 2.74 -0.59 8.23 3.52 -1.26 -0.76 118.95 128.12 3doz s ARG 118 Ca 0.53 -2.41 -0.27 0.00 -0.13 0.00 0.00 55.73 53.45 3doz s ARG 118 Cb -0.12 -3.88 -0.00 0.00 -1.56 0.00 0.00 34.95 29.38 3doz s ARG 118 CO 0.18 -1.19 1.66 -1.17 -0.81 0.00 0.00 175.30 173.96 3doz s LEU 119 N 0.18 3.32 -0.11 -0.88 2.96 -0.93 -4.41 118.68 118.81 3doz s LEU 119 Ca 0.16 0.32 -0.18 0.00 -0.22 0.00 0.00 54.13 54.20 3doz s LEU 119 Cb -0.19 -2.78 -0.04 0.00 0.50 0.00 0.00 46.19 43.68 3doz s LEU 119 CO -0.04 -2.06 0.48 -0.70 -1.32 0.00 0.00 176.35 172.71 3doz s GLU 120 N 6.31 4.33 -0.24 1.98 2.12 0.15 -1.22 118.70 132.14 3doz s GLU 120 Ca 0.60 0.47 -0.10 0.00 0.36 0.00 0.00 54.97 56.30 3doz s GLU 120 Cb -0.12 -3.43 -0.05 0.00 0.26 0.00 0.00 34.13 30.79 3doz s GLU 120 CO 0.22 0.18 0.15 0.71 -0.54 0.00 0.00 175.26 175.98 3doz s TYR 121 N 0.54 3.29 -0.29 5.30 4.12 0.27 0.10 117.35 130.69 3doz s TYR 121 Ca 0.26 0.16 0.03 0.00 0.02 0.00 0.00 57.07 57.55 3doz s TYR 121 Cb -0.15 -2.25 0.07 0.00 -1.52 0.00 0.00 41.96 38.11 3doz s TYR 121 CO 0.11 0.04 -0.05 -1.01 0.02 0.00 0.00 175.55 174.66 3doz s HIS 122 N 1.05 3.41 0.02 2.71 3.76 -0.36 -1.59 115.29 124.28 3doz s HIS 122 Ca 0.07 -2.55 0.06 0.00 -0.15 0.00 0.00 55.06 52.48 3doz s HIS 122 Cb -0.14 -2.27 -0.02 0.00 1.11 0.00 0.00 32.58 31.27 3doz s HIS 122 CO 0.04 -0.90 -0.17 -0.51 -0.85 0.00 0.00 174.74 172.35 3doz s LEU 123 N 1.04 2.10 0.06 0.89 2.01 -0.78 -1.47 118.68 122.54 3doz s LEU 123 Ca -0.02 -0.40 0.05 0.00 0.01 0.00 0.00 54.13 53.78 3doz s LEU 123 Cb -0.20 -0.81 -0.03 0.00 0.01 0.00 0.00 46.19 45.16 3doz s LEU 123 CO -0.06 0.15 -0.15 -1.83 1.01 0.00 0.00 176.35 175.46 3doz s GLU 124 N -0.79 0.90 -0.17 1.70 -1.05 -0.84 -0.95 118.70 117.51 3doz s GLU 124 Ca 0.05 -0.91 -0.29 0.00 -0.15 0.00 0.00 54.97 53.68 3doz s GLU 124 Cb -0.07 -0.94 -0.00 0.00 -0.44 0.00 0.00 34.13 32.68 3doz s GLU 124 CO 0.00 0.22 0.99 0.14 0.95 0.00 0.00 175.26 177.56 3doz s VAL 125 N -1.11 4.76 0.03 1.83 -7.23 0.21 -1.87 120.40 117.02 3doz s VAL 125 Ca 0.00 1.97 -0.02 0.00 -1.81 0.00 0.00 61.98 62.12 3doz s VAL 125 Cb -0.09 -4.28 -0.27 0.00 0.56 0.00 0.00 36.38 32.29 3doz s VAL 125 CO 0.02 -0.07 0.95 -0.07 -0.31 0.00 0.00 175.10 175.63 3doz h LEU 126 N 8.64 0.37 -7.00 1.32 3.38 -0.09 -3.48 115.31 118.44 3doz h LEU 126 Ca -0.26 -0.47 0.08 0.00 0.09 0.00 0.00 57.88 57.32 3doz h LEU 126 Cb 1.11 -0.12 -0.24 0.00 0.09 0.00 0.00 40.66 41.50 3doz h LEU 126 CO 0.90 1.39 0.55 -0.75 0.09 0.00 0.00 178.44 180.62 3doz s LYS 127 N -2.63 0.56 -0.15 1.13 2.20 -0.98 -5.02 119.74 114.85 3doz s LYS 127 Ca -0.07 0.19 -0.26 0.00 -0.36 0.00 0.00 55.97 55.47 3doz s LYS 127 Cb 0.07 0.27 0.06 0.00 -1.51 0.00 0.00 37.83 36.72 3doz s LYS 127 CO 0.86 -0.16 0.65 -3.38 -0.36 0.00 0.00 175.35 172.95 3doz s HIS 128 N -0.95 -0.66 -0.29 4.03 -3.43 -1.26 0.47 115.29 113.19 3doz s HIS 128 Ca -0.01 1.39 -0.12 0.00 -0.80 0.00 0.00 55.06 55.52 3doz s HIS 128 Cb -0.01 0.31 0.12 0.00 -1.43 0.00 0.00 32.58 31.57 3doz s HIS 128 CO 0.00 -0.47 0.72 -1.59 -2.00 0.00 0.00 174.74 171.40 3doz s LYS 129 N -0.45 0.57 7.30 -0.38 -2.85 -0.17 -5.02 119.74 118.74 3doz s LYS 129 Ca -0.06 1.27 0.00 0.00 -1.00 0.00 0.00 55.97 56.19 3doz s LYS 129 Cb -0.03 0.60 0.00 0.00 -2.06 0.00 0.00 37.83 36.34 3doz s LYS 129 CO 0.05 -0.17 0.00 0.41 0.10 0.00 0.00 175.35 175.74 3doz n GLY 130 N 5.02 3.43 0.03 0.59 0.00 -1.26 -1.19 105.19 111.81 3doz n GLY 130 Ca -0.14 -0.17 0.14 0.00 0.00 0.00 0.00 46.02 45.85 3doz n GLY 130 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3doz n MET 131 N 14.00 0.23 -2.92 1.61 2.81 -1.26 -4.77 117.12 126.82 3doz n MET 131 Ca 0.00 -0.06 -0.43 0.00 -1.81 0.00 0.00 57.70 55.40 3doz n MET 131 Cb 0.00 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 30.96 3doz n MET 131 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3doz s ILE 132 N -2.81 4.57 -0.11 2.02 -1.09 -0.33 -1.46 121.20 122.00 3doz s ILE 132 Ca 0.19 0.42 0.02 0.00 -2.23 0.00 0.00 60.65 59.06 3doz s ILE 132 Cb 0.19 -4.39 -0.01 0.00 -1.58 0.00 0.00 42.46 36.68 3doz s ILE 132 CO 0.54 -0.83 -0.19 0.26 -1.23 0.00 0.00 174.94 173.50 3doz s TRP 133 N 3.49 2.67 -0.23 3.97 0.52 -0.52 -1.00 118.94 127.83 3doz s TRP 133 Ca 0.31 -0.80 -0.04 0.00 0.02 0.00 0.00 56.10 55.58 3doz s TRP 133 Cb -0.12 -1.76 -0.01 0.00 -1.15 0.00 0.00 33.47 30.44 3doz s TRP 133 CO 0.22 -0.28 -0.03 -1.14 0.02 0.00 0.00 176.95 175.74 3doz s GLN 134 N 0.26 3.33 0.20 4.98 0.74 0.18 -1.32 119.66 128.03 3doz s GLN 134 Ca -0.13 -0.66 0.07 0.00 0.05 0.00 0.00 55.36 54.69 3doz s GLN 134 Cb -0.16 -3.05 -0.05 0.00 1.10 0.00 0.00 33.01 30.85 3doz s GLN 134 CO 0.07 -0.23 -0.13 0.14 -0.55 0.00 0.00 175.29 174.59 3doz s VAL 135 N 1.48 1.66 0.01 1.34 -7.23 0.41 0.67 120.40 118.73 3doz s VAL 135 Ca 0.05 -2.19 -0.26 0.00 -1.81 0.00 0.00 61.98 57.78 3doz s VAL 135 Cb -0.15 -2.06 0.06 0.00 0.56 0.00 0.00 36.38 34.79 3doz s VAL 135 CO -0.03 -0.58 0.58 -0.83 -0.31 0.00 0.00 175.10 173.93 3doz s GLY 136 N -3.31 -0.49 0.00 2.32 0.00 -0.78 0.40 107.32 105.46 3doz s GLY 136 Ca 0.23 0.89 0.00 0.00 0.00 0.00 0.00 44.72 45.83 3doz s GLY 136 CO 0.07 0.57 0.00 0.61 0.00 0.00 0.00 173.10 174.34 3doz n GLY 137 N 0.63 -0.74 3.34 0.20 0.00 0.30 -1.98 105.19 106.94 3doz n GLY 137 Ca -0.19 -0.36 -0.18 0.00 0.00 0.00 0.00 46.02 45.29 3doz n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3doz s THR 138 N -4.00 0.51 -0.09 2.61 -4.23 -0.54 -1.30 115.64 108.60 3doz s THR 138 Ca 0.00 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 3doz s THR 138 Cb 0.00 -2.58 0.01 0.00 1.34 0.00 0.00 72.50 71.26 3doz s THR 138 CO 0.00 0.00 -0.20 0.00 -0.54 0.00 0.00 174.62 173.88 3doz s ALA 139 N -3.65 1.90 0.10 3.99 0.00 0.73 -1.23 121.76 123.60 3doz s ALA 139 Ca 0.36 -0.81 0.07 0.00 0.00 0.00 0.00 51.96 51.58 3doz s ALA 139 Cb 0.07 -0.75 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 3doz s ALA 139 CO 0.15 0.20 -0.17 -0.65 0.00 0.00 0.00 175.76 175.30 3doz s GLN 140 N 0.49 0.99 -0.09 0.00 -0.21 0.11 -0.79 119.66 120.17 3doz s GLN 140 Ca -0.16 -1.11 -0.02 0.00 0.02 0.00 0.00 55.36 54.09 3doz s GLN 140 Cb -0.17 -1.06 0.03 0.00 1.00 0.00 0.00 33.01 32.81 3doz s GLN 140 CO 0.06 0.23 0.02 0.08 -2.12 0.00 0.00 175.29 173.56 3doz s VAL 141 N -1.45 0.32 -1.19 1.09 1.01 -0.50 0.32 120.40 120.00 3doz s VAL 141 Ca 0.04 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 3doz s VAL 141 Cb -0.09 -0.55 0.03 0.00 0.00 0.00 0.00 36.38 35.77 3doz s VAL 141 CO 0.03 0.18 0.72 -0.67 0.00 0.00 0.00 175.10 175.36 3doz n ASP 142 N 5.16 -4.57 0.00 3.32 4.64 -1.26 -2.34 116.55 121.50 3doz n ASP 142 Ca -0.07 -1.20 0.00 0.00 -1.38 0.00 0.00 54.79 52.14 3doz n ASP 142 Cb 0.50 -2.25 0.00 0.00 -1.04 0.00 0.00 41.12 38.33 3doz n ASP 142 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3doz n GLY 143 N -1.95 1.67 3.79 0.27 0.00 -1.26 -4.99 105.19 102.72 3doz n GLY 143 Ca -0.10 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 3doz n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3doz s LYS 144 N 0.00 3.80 -0.18 1.61 1.02 -0.99 -5.02 119.74 119.98 3doz s LYS 144 Ca 0.00 1.42 -0.23 0.00 0.02 0.00 0.00 55.97 57.18 3doz s LYS 144 Cb 0.00 -2.15 -0.02 0.00 -0.52 0.00 0.00 37.83 35.14 3doz s LYS 144 CO 0.00 -0.44 0.73 0.08 -0.92 0.00 0.00 175.35 174.80 3doz s VAL 145 N -1.90 4.96 -0.35 3.17 1.01 -1.26 -1.41 120.40 124.61 3doz s VAL 145 Ca 0.67 1.41 0.16 0.00 0.00 0.00 0.00 61.98 64.22 3doz s VAL 145 Cb -0.18 -4.04 -0.22 0.00 0.00 0.00 0.00 36.38 31.94 3doz s VAL 145 CO 0.22 0.08 0.50 1.33 0.00 0.00 0.00 175.10 177.23 3doz n VAL 146 N 4.67 0.00 -3.51 2.92 0.24 0.03 -4.45 118.33 118.22 3doz n VAL 146 Ca 0.01 -0.26 -0.13 0.00 -2.04 0.00 0.00 64.34 61.92 3doz n VAL 146 Cb 0.49 0.51 -0.04 0.00 -1.47 0.00 0.00 33.84 33.33 3doz n VAL 146 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3doz s ALA 147 N -2.87 -1.79 0.06 2.33 0.00 -1.09 -1.40 121.76 117.01 3doz s ALA 147 Ca -0.01 1.17 0.04 0.00 0.00 0.00 0.00 51.96 53.16 3doz s ALA 147 Cb 0.11 0.08 -0.03 0.00 0.00 0.00 0.00 23.12 23.28 3doz s ALA 147 CO 0.67 -0.49 -0.11 -1.21 0.00 0.00 0.00 175.76 174.62 3doz s GLU 148 N -2.03 0.69 -0.18 0.00 2.02 -0.73 -0.19 118.70 118.28 3doz s GLU 148 Ca -0.03 -0.89 -0.31 0.00 0.02 0.00 0.00 54.97 53.76 3doz s GLU 148 Cb -0.00 -0.56 0.14 0.00 0.10 0.00 0.00 34.13 33.81 3doz s GLU 148 CO -0.00 0.11 1.12 0.00 0.02 0.00 0.00 175.26 176.51 3doz s ALA 149 N -1.44 -2.00 0.00 5.21 0.00 -0.42 -1.51 121.76 121.61 3doz s ALA 149 Ca -0.05 1.62 0.06 0.00 0.00 0.00 0.00 51.96 53.59 3doz s ALA 149 Cb -0.09 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.28 3doz s ALA 149 CO 0.01 -0.37 -0.19 -1.21 0.00 0.00 0.00 175.76 174.00 3doz s GLU 150 N -1.47 1.47 0.02 0.00 2.02 -0.50 -0.54 118.70 119.70 3doz s GLU 150 Ca 0.03 -0.74 -0.20 0.00 0.02 0.00 0.00 54.97 54.09 3doz s GLU 150 Cb -0.01 -1.46 0.04 0.00 0.10 0.00 0.00 34.13 32.80 3doz s GLU 150 CO -0.03 0.39 0.45 -0.48 0.02 0.00 0.00 175.26 175.61 3doz s LEU 151 N -0.64 0.26 -0.07 1.80 0.05 0.16 -0.42 118.68 119.83 3doz s LEU 151 Ca 0.07 0.15 0.04 0.00 0.05 0.00 0.00 54.13 54.44 3doz s LEU 151 Cb -0.08 1.82 0.00 0.00 -2.05 0.00 0.00 46.19 45.88 3doz s LEU 151 CO -0.00 -0.62 -0.20 -0.75 -0.55 0.00 0.00 176.35 174.23 3doz s LYS 152 N -2.04 2.36 0.23 1.48 2.20 -0.28 -0.45 119.74 123.24 3doz s LYS 152 Ca -0.08 -0.72 0.03 0.00 -0.36 0.00 0.00 55.97 54.84 3doz s LYS 152 Cb -0.02 -1.90 -0.05 0.00 -1.51 0.00 0.00 37.83 34.35 3doz s LYS 152 CO 0.01 0.20 0.02 0.00 -0.36 0.00 0.00 175.35 175.22 3doz s ALA 153 N 0.24 1.72 -0.01 3.13 0.00 -0.43 -0.24 121.76 126.17 3doz s ALA 153 Ca -0.12 -1.76 0.03 0.00 0.00 0.00 0.00 51.96 50.12 3doz s ALA 153 Cb -0.15 0.61 -0.01 0.00 0.00 0.00 0.00 23.12 23.57 3doz s ALA 153 CO 0.05 -0.31 -0.10 1.41 0.00 0.00 0.00 175.76 176.82 3doz s MET 154 N -3.91 0.81 -0.24 0.00 1.75 -0.57 -1.44 119.30 115.71 3doz s MET 154 Ca 0.30 -0.35 -0.13 0.00 -1.25 0.00 0.00 55.69 54.25 3doz s MET 154 Cb 0.06 -0.78 -0.04 0.00 2.84 0.00 0.00 34.83 36.91 3doz s MET 154 CO 0.09 0.21 0.27 0.42 -0.65 0.00 0.00 175.02 175.36 3doz s ILE 155 N -0.23 5.28 0.24 10.11 1.01 -0.53 -1.41 121.20 135.67 3doz s ILE 155 Ca 0.04 0.41 0.02 0.00 0.00 0.00 0.00 60.65 61.12 3doz s ILE 155 Cb -0.04 -3.61 -0.05 0.00 0.01 0.00 0.00 42.46 38.77 3doz s ILE 155 CO -0.00 0.28 0.04 0.00 0.00 0.00 0.00 174.94 175.26 3doz s ALA 156 N 1.35 1.78 -2.85 9.38 0.00 0.31 -4.75 121.76 126.98 3doz s ALA 156 Ca 0.12 -1.82 0.25 0.00 0.00 0.00 0.00 51.96 50.52 3doz s ALA 156 Cb -0.14 0.73 0.45 0.00 0.00 0.00 0.00 23.12 24.15 3doz s ALA 156 CO 0.07 -0.35 1.41 0.39 0.00 0.00 0.00 175.76 177.28