#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cce s GLN 2 N 0.00 4.09 -0.02 3.17 -1.52 -1.26 -1.47 119.66 122.64 3cce s GLN 2 Ca 0.00 0.63 0.01 0.00 -1.95 0.00 0.00 55.36 54.05 3cce s GLN 2 Cb 0.00 -2.98 0.02 0.00 -0.22 0.00 0.00 33.01 29.83 3cce s GLN 2 CO 0.00 0.49 -0.02 1.41 -0.25 0.00 0.00 175.29 176.93 3cce s MET 3 N -1.79 0.38 0.12 2.91 -2.45 0.85 -4.90 119.30 114.41 3cce s MET 3 Ca 0.37 -0.00 -0.31 0.00 -1.25 0.00 0.00 55.69 54.50 3cce s MET 3 Cb -0.16 -0.49 -0.08 0.00 1.25 0.00 0.00 34.83 35.35 3cce s MET 3 CO 0.20 -0.07 1.38 -1.25 1.05 0.00 0.00 175.02 176.32 3cce s PRO 4 N 0.72 4.33 0.21 4.11 0.04 -1.26 0.32 135.00 143.47 3cce s PRO 4 Ca -0.08 2.06 -0.10 0.00 0.04 0.00 0.00 61.00 62.93 3cce s PRO 4 Cb -0.11 -3.25 0.20 0.00 0.04 0.00 0.00 34.50 31.38 3cce s PRO 4 CO -0.01 -0.42 1.84 -0.09 0.04 0.00 0.00 177.00 178.36 3cce h ARG 5 N 6.74 0.80 -5.05 4.56 9.65 -1.78 -3.43 114.38 125.87 3cce h ARG 5 Ca -0.42 -0.05 -0.39 0.00 -1.10 0.00 0.00 59.98 58.02 3cce h ARG 5 Cb 1.21 -0.18 -0.24 0.00 -1.39 0.00 0.00 29.97 29.37 3cce h ARG 5 CO 0.86 0.53 -0.77 1.03 2.80 0.00 0.00 179.97 184.41 3cce s ARG 6 N -6.11 0.77 -0.13 0.20 0.52 -1.26 -0.10 118.95 112.84 3cce s ARG 6 Ca -0.13 -0.73 -0.30 0.00 -0.52 0.00 0.00 55.73 54.05 3cce s ARG 6 Cb 0.15 -0.72 0.13 0.00 0.52 0.00 0.00 34.95 35.03 3cce s ARG 6 CO 0.77 0.17 1.02 -0.59 0.02 0.00 0.00 175.30 176.68 3cce s PHE 7 N -0.96 -0.31 0.23 -0.53 -0.12 -0.60 -4.97 117.98 110.72 3cce s PHE 7 Ca -0.02 0.41 -0.30 0.00 -0.05 0.00 0.00 56.93 56.97 3cce s PHE 7 Cb -0.08 0.49 -0.09 0.00 -0.63 0.00 0.00 43.02 42.71 3cce s PHE 7 CO 0.01 -0.36 1.17 -0.80 -0.05 0.00 0.00 175.22 175.19 3cce s ASN 8 N -1.63 7.13 0.02 1.98 0.01 -1.26 -0.81 114.94 120.39 3cce s ASN 8 Ca 0.02 2.28 -0.29 0.00 -0.71 0.00 0.00 52.86 54.17 3cce s ASN 8 Cb -0.01 -2.62 0.10 0.00 0.41 0.00 0.00 41.25 39.14 3cce s ASN 8 CO -0.03 -0.30 1.15 0.28 -1.51 0.00 0.00 177.10 176.69 3cce s THR 9 N -0.54 0.00 0.04 1.60 -1.32 -0.58 -4.92 115.64 109.92 3cce s THR 9 Ca 0.49 -0.34 -0.30 0.00 -1.21 0.00 0.00 61.69 60.33 3cce s THR 9 Cb -0.33 -1.86 -0.07 0.00 -1.51 0.00 0.00 72.50 68.74 3cce s THR 9 CO 0.40 0.00 1.50 -0.47 -2.21 0.00 0.00 174.62 173.84 3cce s TYR 10 N -2.74 2.71 -0.40 9.09 5.04 -1.26 -1.44 117.35 128.35 3cce s TYR 10 Ca 0.13 0.63 -0.15 0.00 -2.44 0.00 0.00 57.07 55.24 3cce s TYR 10 Cb 0.02 -3.79 0.02 0.00 0.35 0.00 0.00 41.96 38.56 3cce s TYR 10 CO -0.02 -3.02 0.29 0.00 -1.34 0.00 0.00 175.55 171.46 3cce h PRO 12 N 8.60 0.00 0.12 0.00 0.13 -1.94 0.11 132.00 139.03 3cce h PRO 12 Ca -0.27 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.51 3cce h PRO 12 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 3cce h PRO 12 CO 0.72 0.03 -1.90 0.45 -0.23 0.00 0.00 178.00 177.07 3cce h HIS 13 N 0.00 0.45 0.00 1.56 3.86 -1.93 -3.36 115.15 115.73 3cce h HIS 13 Ca -0.00 -0.33 -0.05 0.00 -1.16 0.00 0.00 60.37 58.83 3cce h HIS 13 Cb 0.09 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 3cce h HIS 13 CO 0.00 1.75 -0.26 0.00 0.86 0.00 0.00 177.93 180.28 3cce n ASN 15 N -3.25 -4.50 -3.56 0.00 2.85 0.38 -4.99 115.26 102.19 3cce n ASN 15 Ca 0.02 -0.03 -0.13 0.00 -0.11 0.00 0.00 54.58 54.32 3cce n ASN 15 Cb 0.55 -3.62 -0.05 0.00 1.24 0.00 0.00 39.78 37.90 3cce n ASN 15 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 3cce s GLU 16 N -4.80 0.76 0.13 1.20 -1.05 -1.21 -4.98 118.70 108.74 3cce s GLU 16 Ca 0.02 0.19 -0.32 0.00 -0.15 0.00 0.00 54.97 54.71 3cce s GLU 16 Cb -0.01 0.36 -0.12 0.00 -0.44 0.00 0.00 34.13 33.92 3cce s GLU 16 CO 0.03 -0.24 1.78 0.72 0.95 0.00 0.00 175.26 178.50 3cce n HIS 17 N 0.80 2.56 -4.33 4.83 8.25 -1.26 -3.23 115.22 122.84 3cce n HIS 17 Ca -0.13 -0.03 -0.17 0.00 -0.26 0.00 0.00 57.72 57.13 3cce n HIS 17 Cb 0.58 -2.68 -0.10 0.00 1.12 0.00 0.00 29.99 28.90 3cce n HIS 17 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 3cce s GLN 18 N 2.23 1.43 -0.48 -0.41 -1.52 -0.52 -4.88 119.66 115.52 3cce s GLN 18 Ca 0.81 -1.77 -0.25 0.00 -1.95 0.00 0.00 55.36 52.20 3cce s GLN 18 Cb -0.54 -0.37 0.03 0.00 -0.22 0.00 0.00 33.01 31.91 3cce s GLN 18 CO 0.38 -0.26 0.90 -2.00 -0.25 0.00 0.00 175.29 174.05 3cce s GLU 19 N -4.00 3.47 0.08 2.91 2.12 -1.26 -1.52 118.70 120.50 3cce s GLU 19 Ca 0.37 0.02 -0.06 0.00 0.36 0.00 0.00 54.97 55.66 3cce s GLU 19 Cb 0.08 -3.95 -0.05 0.00 0.26 0.00 0.00 34.13 30.46 3cce s GLU 19 CO 0.13 -1.25 0.34 -1.01 -0.54 0.00 0.00 175.26 172.93 3cce s HIS 20 N 3.70 3.53 -0.17 5.30 3.76 0.01 -0.53 115.29 130.90 3cce s HIS 20 Ca 0.34 0.60 -0.05 0.00 -0.15 0.00 0.00 55.06 55.81 3cce s HIS 20 Cb -0.11 -2.03 -0.03 0.00 1.11 0.00 0.00 32.58 31.52 3cce s HIS 20 CO 0.24 0.51 -0.01 -2.00 -0.85 0.00 0.00 174.74 172.64 3cce s GLU 21 N -2.21 3.73 -0.12 1.40 2.12 0.68 -1.56 118.70 122.76 3cce s GLU 21 Ca 0.35 -0.48 -0.13 0.00 0.36 0.00 0.00 54.97 55.07 3cce s GLU 21 Cb -0.13 -3.01 -0.05 0.00 0.26 0.00 0.00 34.13 31.21 3cce s GLU 21 CO 0.21 0.22 0.30 0.08 -0.54 0.00 0.00 175.26 175.52 3cce s VAL 22 N 0.45 5.28 0.03 3.70 1.01 0.86 -0.91 120.40 130.80 3cce s VAL 22 Ca -0.02 0.57 -0.00 0.00 0.00 0.00 0.00 61.98 62.53 3cce s VAL 22 Cb -0.14 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 3cce s VAL 22 CO 0.02 0.46 -0.03 -0.70 0.00 0.00 0.00 175.10 174.85 3cce s GLU 23 N -0.09 0.37 -0.00 2.72 2.12 -0.64 -4.89 118.70 118.29 3cce s GLU 23 Ca 0.18 -0.72 -0.28 0.00 0.36 0.00 0.00 54.97 54.50 3cce s GLU 23 Cb -0.14 0.12 -0.03 0.00 0.26 0.00 0.00 34.13 34.34 3cce s GLU 23 CO 0.06 -0.06 0.91 0.15 -0.54 0.00 0.00 175.26 175.78 3cce s LYS 24 N -1.91 4.54 -0.38 4.30 1.02 -1.26 -0.37 119.74 125.67 3cce s LYS 24 Ca -0.12 1.29 -0.28 0.00 0.02 0.00 0.00 55.97 56.88 3cce s LYS 24 Cb -0.07 -3.45 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 3cce s LYS 24 CO -0.03 0.01 2.03 0.08 -0.92 0.00 0.00 175.35 176.52 3cce s VAL 25 N 0.83 3.25 0.22 3.17 1.01 -1.11 -4.86 120.40 122.92 3cce s VAL 25 Ca 0.48 0.23 -0.30 0.00 0.00 0.00 0.00 61.98 62.38 3cce s VAL 25 Cb -0.20 -3.42 -0.09 0.00 0.00 0.00 0.00 36.38 32.67 3cce s VAL 25 CO 0.26 -0.33 0.94 -0.13 0.00 0.00 0.00 175.10 175.85 3cce s ARG 26 N 6.56 4.84 0.02 2.72 0.52 -1.26 -5.00 118.95 127.34 3cce s ARG 26 Ca 0.86 1.49 -0.30 0.00 -0.52 0.00 0.00 55.73 57.25 3cce s ARG 26 Cb -0.22 -3.29 -0.05 0.00 0.52 0.00 0.00 34.95 31.90 3cce s ARG 26 CO 0.30 0.48 1.30 -1.12 0.02 0.00 0.00 175.30 176.28 3cce s SER 27 N -1.02 6.96 0.34 0.23 0.01 -1.26 -5.00 113.70 113.95 3cce s SER 27 Ca 0.42 2.04 -0.26 0.00 1.31 0.00 0.00 55.95 59.46 3cce s SER 27 Cb -0.26 -2.57 -0.09 0.00 0.21 0.00 0.00 66.02 63.31 3cce s SER 27 CO 0.32 -0.61 1.01 -0.83 0.41 0.00 0.00 173.24 173.54 3cce s GLY 28 N 1.47 2.84 0.51 3.44 0.00 -1.26 -5.01 107.32 109.30 3cce s GLY 28 Ca 0.61 0.66 -0.21 0.00 0.00 0.00 0.00 44.72 45.78 3cce s GLY 28 CO 0.26 1.13 1.11 -1.60 0.00 0.00 0.00 173.10 174.00 3cce s ARG 29 N -2.07 3.59 0.59 2.90 3.52 -1.26 -5.03 118.95 121.19 3cce s ARG 29 Ca 0.52 1.57 -0.10 0.00 -0.13 0.00 0.00 55.73 57.59 3cce s ARG 29 Cb -0.22 -2.13 -0.04 0.00 -1.56 0.00 0.00 34.95 30.99 3cce s ARG 29 CO 0.28 -0.65 0.99 -0.65 -0.81 0.00 0.00 175.30 174.46 3cce s GLN 30 N -3.12 3.61 -0.09 5.12 -0.21 -1.26 -5.01 119.66 118.70 3cce s GLN 30 Ca 0.69 0.67 0.19 0.00 0.02 0.00 0.00 55.36 56.93 3cce s GLN 30 Cb -0.23 -2.13 -0.26 0.00 1.00 0.00 0.00 33.01 31.40 3cce s GLN 30 CO 0.27 -0.50 0.36 0.25 -2.12 0.00 0.00 175.29 173.55 3cce n THR 31 N -2.62 0.89 -1.42 -0.19 -2.24 -1.26 -4.98 114.28 102.46 3cce n THR 31 Ca 0.05 -0.71 -0.08 0.00 -2.27 0.00 0.00 64.05 61.05 3cce n THR 31 Cb 0.54 -0.37 -0.03 0.00 -2.10 0.00 0.00 70.33 68.38 3cce n THR 31 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cce n GLY 32 N 1.52 0.78 0.00 3.38 0.00 -1.26 -4.89 105.19 104.72 3cce n GLY 32 Ca -0.19 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.16 3cce n GLY 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3cce n MET 33 N -2.56 -0.51 -1.28 1.61 2.81 -1.26 -4.79 117.12 111.14 3cce n MET 33 Ca -0.08 -0.57 -0.30 0.00 -1.81 0.00 0.00 57.70 54.94 3cce n MET 33 Cb 0.32 -0.96 0.12 0.00 -0.71 0.00 0.00 33.22 31.99 3cce n MET 33 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3cce s LYS 34 N -0.10 1.63 0.33 0.03 3.01 -1.26 -4.85 119.74 118.53 3cce s LYS 34 Ca 0.00 0.86 0.07 0.00 -1.01 0.00 0.00 55.97 55.89 3cce s LYS 34 Cb 0.00 -1.85 0.75 0.00 -1.01 0.00 0.00 37.83 35.72 3cce s LYS 34 CO 0.00 -1.99 1.84 2.35 0.51 0.00 0.00 175.35 178.06 3cce h TRP 35 N -1.37 0.94 -0.47 3.18 7.01 -2.00 -1.35 115.95 121.90 3cce h TRP 35 Ca -0.48 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 60.52 3cce h TRP 35 Cb 1.27 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 28.01 3cce h TRP 35 CO 0.47 0.32 0.15 0.97 -2.79 0.00 0.00 178.44 177.56 3cce h ILE 36 N 0.77 1.19 -0.65 2.65 6.09 -1.99 -1.32 117.51 124.25 3cce h ILE 36 Ca 0.49 -0.64 -0.06 0.00 -1.37 0.00 0.00 64.86 63.28 3cce h ILE 36 Cb 0.72 0.68 -0.03 0.00 0.47 0.00 0.00 36.82 38.66 3cce h ILE 36 CO -0.25 0.24 0.18 0.44 -3.07 0.00 0.00 178.15 175.69 3cce h ASP 37 N 0.67 0.97 -0.22 2.19 3.32 -1.58 -1.49 116.42 120.27 3cce h ASP 37 Ca 0.16 -0.22 -0.13 0.00 0.02 0.00 0.00 57.03 56.86 3cce h ASP 37 Cb 0.19 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3cce h ASP 37 CO -0.01 0.93 -0.32 0.03 -1.72 0.00 0.00 179.24 178.15 3cce h ARG 38 N 0.96 0.74 -0.43 3.56 3.08 -1.33 -2.98 114.38 117.98 3cce h ARG 38 Ca 0.21 -0.34 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 3cce h ARG 38 Cb 0.33 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3cce h ARG 38 CO -0.00 0.96 -0.04 0.37 -1.07 0.00 0.00 179.97 180.18 3cce h GLN 39 N 0.62 0.71 -0.29 0.04 4.15 -0.82 -0.74 115.11 118.79 3cce h GLN 39 Ca 0.07 -0.20 -0.00 0.00 0.77 0.00 0.00 58.65 59.29 3cce h GLN 39 Cb 0.85 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.45 3cce h GLN 39 CO 0.07 0.75 0.17 -0.09 -1.93 0.00 0.00 178.83 177.80 3cce h ARG 40 N 0.66 0.40 -0.17 1.69 2.43 -1.16 0.11 114.38 118.35 3cce h ARG 40 Ca 0.13 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3cce h ARG 40 Cb 0.47 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 3cce h ARG 40 CO 0.02 0.33 0.06 0.93 -1.51 0.00 0.00 179.97 179.80 3cce h GLU 41 N 0.36 0.25 0.74 0.20 5.08 -1.36 -2.78 114.58 117.06 3cce h GLU 41 Ca 0.10 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3cce h GLU 41 Cb 0.04 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3cce h GLU 41 CO -0.02 0.36 -0.42 0.00 -1.00 0.00 0.00 179.01 177.93 3cce h ARG 42 N 0.10 -1.03 0.00 2.33 3.08 -0.94 -3.21 114.38 114.71 3cce h ARG 42 Ca 0.05 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3cce h ARG 42 Cb 0.20 0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.49 3cce h ARG 42 CO -0.00 -0.69 0.00 0.09 -1.07 0.00 0.00 179.97 178.30 3cce n ASN 43 N -5.07 0.00 -4.50 7.04 4.13 0.37 -4.74 115.26 112.48 3cce n ASN 43 Ca -0.13 -0.91 -0.38 0.00 1.68 0.00 0.00 54.58 54.84 3cce n ASN 43 Cb 0.44 0.00 -0.12 0.00 -1.54 0.00 0.00 39.78 38.56 3cce n ASN 43 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 3cce s SER 44 N -1.72 5.64 0.00 6.41 0.01 -1.05 -4.89 113.70 118.09 3cce s SER 44 Ca 0.17 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 57.18 3cce s SER 44 Cb 0.08 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.28 3cce s SER 44 CO 0.13 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.29 3cce n GLY 45 N 5.00 5.28 3.74 3.44 0.00 -1.26 -4.99 105.19 116.40 3cce n GLY 45 Ca -0.14 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 3cce n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cce s ILE 46 N 1.08 2.42 0.00 -0.61 1.01 -1.26 -4.77 121.20 119.08 3cce s ILE 46 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 60.65 60.99 3cce s ILE 46 Cb 0.00 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.25 3cce s ILE 46 CO 0.00 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.60 3cce n GLY 47 N 2.62 -1.48 3.66 6.18 0.00 -1.26 -4.88 105.19 110.03 3cce n GLY 47 Ca 0.09 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.39 3cce n GLY 47 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3cce n ASN 48 N -0.03 2.16 -1.50 1.61 5.15 -1.26 -4.93 115.26 116.46 3cce n ASN 48 Ca 0.00 1.14 -0.09 0.00 -0.60 0.00 0.00 54.58 55.04 3cce n ASN 48 Cb 0.00 -1.43 0.21 0.00 -0.53 0.00 0.00 39.78 38.03 3cce n ASN 48 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3cce n ASP 49 N 0.66 3.14 0.00 1.20 8.00 -1.26 -4.82 116.55 123.47 3cce n ASP 49 Ca 0.07 -3.62 0.00 0.00 0.71 0.00 0.00 54.79 51.95 3cce n ASP 49 Cb 0.37 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 3cce n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cce n GLY 50 N -0.99 3.64 0.32 0.44 0.00 -1.26 -1.61 105.19 105.72 3cce n GLY 50 Ca 0.40 -0.07 0.15 0.00 0.00 0.00 0.00 46.02 46.50 3cce n GLY 50 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3cce h LYS 51 N 0.00 0.00 0.00 1.61 2.10 -1.99 -0.77 116.57 117.52 3cce h LYS 51 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3cce h LYS 51 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3cce h LYS 51 CO 0.00 0.00 0.00 1.19 -2.00 0.00 0.00 179.45 178.64 3cce n PHE 52 N -4.19 0.00 1.02 0.07 3.01 -0.64 -2.35 117.46 114.38 3cce n PHE 52 Ca 0.02 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.59 3cce n PHE 52 Cb 0.32 -0.16 0.01 0.00 -0.01 0.00 0.00 39.48 39.63 3cce n PHE 52 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3cce n SER 53 N -1.16 1.79 -4.81 4.37 7.64 -0.29 -4.89 113.62 116.27 3cce n SER 53 Ca 0.15 -1.38 -0.34 0.00 1.01 0.00 0.00 58.87 58.31 3cce n SER 53 Cb 0.15 0.53 -0.06 0.00 -1.01 0.00 0.00 64.21 63.82 3cce n SER 53 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3cce s LYS 54 N -2.57 4.12 -0.00 1.43 1.02 -0.99 -5.02 119.74 117.73 3cce s LYS 54 Ca 0.17 1.24 0.05 0.00 0.02 0.00 0.00 55.97 57.46 3cce s LYS 54 Cb 0.18 -2.23 -0.03 0.00 -0.52 0.00 0.00 37.83 35.23 3cce s LYS 54 CO 0.62 -0.14 -0.15 0.14 -0.92 0.00 0.00 175.35 174.89 3cce s VAL 55 N -2.03 2.99 -0.05 3.17 -7.23 -1.26 -5.08 120.40 110.90 3cce s VAL 55 Ca 0.62 -0.93 -0.41 0.00 -1.81 0.00 0.00 61.98 59.45 3cce s VAL 55 Cb -0.13 -2.22 -0.20 0.00 0.56 0.00 0.00 36.38 34.39 3cce s VAL 55 CO 0.17 0.46 1.13 -2.65 -0.31 0.00 0.00 175.10 173.90 3cce n PRO 56 N 1.90 0.03 -0.78 4.82 -0.02 -1.26 -4.98 135.00 134.71 3cce n PRO 56 Ca -0.16 0.01 -0.21 0.00 -2.02 0.00 0.00 63.50 61.11 3cce n PRO 56 Cb 0.52 -1.51 0.18 0.00 -0.02 0.00 0.00 33.50 32.67 3cce n PRO 56 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cce n GLY 57 N 1.79 -2.62 0.00 -1.23 0.00 -1.26 -5.09 105.19 96.78 3cce n GLY 57 Ca 0.21 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.74 3cce n GLY 57 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cce n GLY 58 N -2.66 -0.83 3.17 -0.02 0.00 -1.26 -5.11 105.19 98.47 3cce n GLY 58 Ca 0.11 -1.43 -0.15 0.00 0.00 0.00 0.00 46.02 44.55 3cce n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cce s ASP 59 N -1.28 1.48 0.27 1.61 1.01 -1.26 -5.14 116.67 113.36 3cce s ASP 59 Ca 0.00 -0.74 -0.17 0.00 0.71 0.00 0.00 52.55 52.35 3cce s ASP 59 Cb 0.00 -0.01 -0.08 0.00 1.01 0.00 0.00 42.92 43.84 3cce s ASP 59 CO 0.00 -0.21 0.71 -0.75 0.21 0.00 0.00 175.17 175.14 3cce s LYS 60 N -2.43 4.10 0.47 8.23 2.47 -1.26 -4.96 119.74 126.37 3cce s LYS 60 Ca 0.02 0.73 0.22 0.00 -1.56 0.00 0.00 55.97 55.38 3cce s LYS 60 Cb -0.05 -2.66 1.23 0.00 -1.46 0.00 0.00 37.83 34.89 3cce s LYS 60 CO 0.01 0.28 1.92 -1.00 0.16 0.00 0.00 175.35 176.72 3cce h PRO 61 N 2.83 0.22 -3.57 4.03 0.13 -2.05 -3.40 132.00 130.18 3cce h PRO 61 Ca -0.48 -0.01 -0.25 0.00 -0.87 0.00 0.00 66.00 64.39 3cce h PRO 61 Cb 1.18 -0.05 -0.30 0.00 0.13 0.00 0.00 31.00 31.96 3cce h PRO 61 CO 0.65 0.14 -0.69 0.99 -0.23 0.00 0.00 178.00 178.87 3cce s THR 62 N -5.23 -0.03 0.35 1.56 2.01 -1.26 -5.03 115.64 108.02 3cce s THR 62 Ca -0.07 0.09 0.03 0.00 0.31 0.00 0.00 61.69 62.06 3cce s THR 62 Cb 0.21 -0.08 -0.02 0.00 0.01 0.00 0.00 72.50 72.62 3cce s THR 62 CO 0.76 0.04 0.52 -0.54 -0.69 0.00 0.00 174.62 174.71 3cce s LYS 63 N 0.50 3.27 0.69 4.92 -0.14 -1.26 -4.89 119.74 122.84 3cce s LYS 63 Ca -0.04 -0.64 -0.04 0.00 -1.36 0.00 0.00 55.97 53.89 3cce s LYS 63 Cb -0.06 -2.73 0.08 0.00 -1.68 0.00 0.00 37.83 33.45 3cce s LYS 63 CO -0.02 0.08 0.98 0.15 -0.76 0.00 0.00 175.35 175.78 3cce s LYS 64 N -4.27 2.02 -0.14 1.68 1.02 -1.26 -2.18 119.74 116.62 3cce s LYS 64 Ca 0.42 -0.59 -0.29 0.00 0.02 0.00 0.00 55.97 55.52 3cce s LYS 64 Cb -0.10 -2.25 -0.03 0.00 -0.52 0.00 0.00 37.83 34.93 3cce s LYS 64 CO 0.34 -1.27 1.43 0.99 -0.92 0.00 0.00 175.35 175.92 3cce s THR 65 N -3.16 3.98 -0.55 2.17 2.01 -0.43 -4.79 115.64 114.87 3cce s THR 65 Ca 0.62 1.18 -0.00 0.00 0.31 0.00 0.00 61.69 63.80 3cce s THR 65 Cb -0.09 -3.79 0.14 0.00 0.01 0.00 0.00 72.50 68.77 3cce s THR 65 CO 0.44 -0.14 0.33 -0.62 -0.69 0.00 0.00 174.62 173.94 3cce s ASP 66 N 2.66 4.93 0.10 3.53 2.15 -1.26 -3.75 116.67 125.04 3cce s ASP 66 Ca 0.63 -2.75 0.04 0.00 0.43 0.00 0.00 52.55 50.89 3cce s ASP 66 Cb -0.26 -1.77 -0.04 0.00 -0.30 0.00 0.00 42.92 40.55 3cce s ASP 66 CO 0.21 -0.35 -0.10 -0.76 -0.17 0.00 0.00 175.17 174.00 3cce s LEU 67 N 0.09 2.42 -0.09 -1.34 1.43 -1.26 -2.74 118.68 117.18 3cce s LEU 67 Ca 0.15 -0.84 -0.01 0.00 -1.03 0.00 0.00 54.13 52.41 3cce s LEU 67 Cb -0.22 -0.29 -0.03 0.00 0.03 0.00 0.00 46.19 45.68 3cce s LEU 67 CO -0.03 -0.28 -0.05 -0.54 0.23 0.00 0.00 176.35 175.69 3cce s LYS 68 N -2.91 3.04 -0.42 1.70 1.02 0.50 -4.48 119.74 118.18 3cce s LYS 68 Ca 0.06 -0.51 -0.01 0.00 0.02 0.00 0.00 55.97 55.54 3cce s LYS 68 Cb -0.02 -2.72 0.11 0.00 -0.52 0.00 0.00 37.83 34.69 3cce s LYS 68 CO -0.00 0.56 0.20 0.71 -0.92 0.00 0.00 175.35 175.90 3cce s TYR 69 N -0.53 3.59 -0.14 3.18 1.51 -1.10 -1.63 117.35 122.24 3cce s TYR 69 Ca 0.08 -2.66 -0.25 0.00 -1.01 0.00 0.00 57.07 53.22 3cce s TYR 69 Cb -0.12 -3.12 -0.02 0.00 -0.11 0.00 0.00 41.96 38.59 3cce s TYR 69 CO 0.02 -0.94 0.82 1.03 -1.11 0.00 0.00 175.55 175.38 3cce s ARG 70 N 0.84 4.34 0.07 -0.62 1.81 -0.09 -1.69 118.95 123.60 3cce s ARG 70 Ca 0.11 1.03 -0.31 0.00 -1.72 0.00 0.00 55.73 54.83 3cce s ARG 70 Cb -0.22 -3.55 -0.06 0.00 -0.45 0.00 0.00 34.95 30.68 3cce s ARG 70 CO -0.05 -0.25 1.23 0.00 -0.68 0.00 0.00 175.30 175.55 3cce h GLY 72 N 6.84 0.00 0.00 0.00 0.00 -1.15 -2.15 103.07 106.60 3cce h GLY 72 Ca -0.42 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.84 3cce h GLY 72 CO 0.82 0.00 -1.23 -2.21 0.00 0.00 0.00 176.54 173.92 3cce n GLU 73 N -3.70 0.52 0.14 4.80 2.13 -1.26 -4.63 120.64 118.63 3cce n GLU 73 Ca -0.02 0.21 0.13 0.00 0.66 0.00 0.00 57.16 58.14 3cce n GLU 73 Cb 0.27 -1.41 0.38 0.00 0.27 0.00 0.00 31.44 30.95 3cce n GLU 73 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3cce n GLY 75 N 1.08 0.82 3.68 0.00 0.00 -0.81 -5.02 105.19 104.94 3cce n GLY 75 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 3cce n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cce s LYS 76 N -0.17 4.24 0.55 1.61 1.02 -1.26 -4.61 119.74 121.13 3cce s LYS 76 Ca 0.00 0.44 -0.06 0.00 0.02 0.00 0.00 55.97 56.38 3cce s LYS 76 Cb 0.00 -3.52 -0.01 0.00 -0.52 0.00 0.00 37.83 33.78 3cce s LYS 76 CO 0.00 -0.05 0.86 0.00 -0.92 0.00 0.00 175.35 175.24 3cce s ALA 77 N 1.32 3.34 0.02 5.17 0.00 -1.26 -3.14 121.76 127.21 3cce s ALA 77 Ca 0.25 -0.63 -0.03 0.00 0.00 0.00 0.00 51.96 51.55 3cce s ALA 77 Cb -0.15 -2.60 -0.01 0.00 0.00 0.00 0.00 23.12 20.35 3cce s ALA 77 CO 0.10 -0.64 0.04 -3.38 0.00 0.00 0.00 175.76 171.88 3cce s HIS 78 N -2.91 0.22 0.24 0.00 -3.43 -0.68 -4.96 115.29 103.77 3cce s HIS 78 Ca 0.52 -0.49 0.00 0.00 -0.80 0.00 0.00 55.06 54.29 3cce s HIS 78 Cb -0.10 -0.17 -0.04 0.00 -1.43 0.00 0.00 32.58 30.84 3cce s HIS 78 CO 0.45 -0.28 0.42 -0.51 -2.00 0.00 0.00 174.74 172.82 3cce s LEU 79 N -1.78 4.20 0.03 5.38 1.43 -1.26 -2.70 118.68 123.99 3cce s LEU 79 Ca -0.10 0.36 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 3cce s LEU 79 Cb -0.05 -3.15 -0.03 0.00 0.03 0.00 0.00 46.19 43.00 3cce s LEU 79 CO -0.02 -0.10 -0.04 -0.13 0.23 0.00 0.00 176.35 176.29 3cce s ARG 80 N -3.62 0.43 0.34 1.70 0.52 -1.26 -5.04 118.95 112.02 3cce s ARG 80 Ca 0.38 -0.78 -0.29 0.00 -0.52 0.00 0.00 55.73 54.52 3cce s ARG 80 Cb -0.10 0.03 -0.12 0.00 0.52 0.00 0.00 34.95 35.28 3cce s ARG 80 CO 0.30 -0.04 1.50 -1.91 0.02 0.00 0.00 175.30 175.17 3cce n GLU 81 N 1.24 2.59 -2.65 3.54 2.13 -1.26 -4.83 120.64 121.39 3cce n GLU 81 Ca -0.21 0.91 -0.22 0.00 0.66 0.00 0.00 57.16 58.30 3cce n GLU 81 Cb 0.56 -2.64 0.06 0.00 0.27 0.00 0.00 31.44 29.69 3cce n GLU 81 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 3cce s GLY 82 N 0.09 1.81 0.01 8.31 0.00 -1.25 -4.96 107.32 111.33 3cce s GLY 82 Ca 0.58 -1.48 0.01 0.00 0.00 0.00 0.00 44.72 43.82 3cce s GLY 82 CO 0.57 -1.12 -0.03 0.66 0.00 0.00 0.00 173.10 173.18 3cce s TRP 83 N -2.85 0.29 0.09 1.90 -2.14 -1.26 -4.61 118.94 110.36 3cce s TRP 83 Ca 0.60 -0.21 -0.35 0.00 2.66 0.00 0.00 56.10 58.80 3cce s TRP 83 Cb -0.09 -0.18 -0.15 0.00 -3.10 0.00 0.00 33.47 29.95 3cce s TRP 83 CO 0.40 -0.05 1.52 0.54 -2.66 0.00 0.00 176.95 176.70 3cce n ARG 84 N 2.50 1.73 -3.66 3.25 1.74 -1.26 -1.32 116.66 119.64 3cce n ARG 84 Ca -0.16 0.62 -0.06 0.00 -0.77 0.00 0.00 57.85 57.48 3cce n ARG 84 Cb 0.58 -2.35 -0.08 0.00 -1.02 0.00 0.00 32.46 29.59 3cce n ARG 84 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3cce s ALA 85 N 1.12 -1.50 0.41 7.54 0.00 -0.92 -4.91 121.76 123.50 3cce s ALA 85 Ca 0.83 1.85 0.10 0.00 0.00 0.00 0.00 51.96 54.74 3cce s ALA 85 Cb -0.80 -1.47 0.88 0.00 0.00 0.00 0.00 23.12 21.73 3cce s ALA 85 CO 0.44 -0.77 1.99 0.78 0.00 0.00 0.00 175.76 178.20 3cce h GLY 86 N 7.98 0.32 -3.32 0.00 0.00 -1.94 -3.40 103.07 102.72 3cce h GLY 86 Ca -0.19 -0.16 -0.08 0.00 0.00 0.00 0.00 47.33 46.91 3cce h GLY 86 CO 0.13 0.15 -0.25 0.50 0.00 0.00 0.00 176.54 177.06 3cce s ARG 87 N -5.01 0.90 -0.24 4.80 0.52 -1.26 -4.99 118.95 113.67 3cce s ARG 87 Ca -0.06 -0.77 -0.03 0.00 -0.52 0.00 0.00 55.73 54.35 3cce s ARG 87 Cb 0.16 0.38 0.12 0.00 0.52 0.00 0.00 34.95 36.13 3cce s ARG 87 CO 0.72 -0.31 0.32 -1.17 0.02 0.00 0.00 175.30 174.89 3cce s LEU 88 N -2.63 -0.43 -0.11 2.53 2.96 -1.26 -1.45 118.68 118.30 3cce s LEU 88 Ca 0.02 -0.03 0.02 0.00 -0.22 0.00 0.00 54.13 53.92 3cce s LEU 88 Cb 0.02 0.82 -0.01 0.00 0.50 0.00 0.00 46.19 47.52 3cce s LEU 88 CO -0.09 -0.32 -0.19 -1.61 -1.32 0.00 0.00 176.35 172.81 3cce s GLU 89 N 2.46 3.15 0.25 1.98 2.02 -0.54 -4.98 118.70 123.03 3cce s GLU 89 Ca 0.10 -0.80 -0.23 0.00 0.02 0.00 0.00 54.97 54.06 3cce s GLU 89 Cb -0.15 -2.43 -0.09 0.00 0.10 0.00 0.00 34.13 31.56 3cce s GLU 89 CO -0.17 0.21 0.82 -0.06 0.02 0.00 0.00 175.26 176.09 3cce s PHE 90 N 0.29 3.72 -0.32 1.61 0.40 -1.25 -0.11 117.98 122.32 3cce s PHE 90 Ca -0.14 1.58 -0.14 0.00 -0.60 0.00 0.00 56.93 57.63 3cce s PHE 90 Cb -0.17 -2.76 -0.02 0.00 0.51 0.00 0.00 43.02 40.58 3cce s PHE 90 CO 0.07 0.32 0.30 -0.65 0.70 0.00 0.00 175.22 175.96 3cce s GLN 91 N -1.85 3.68 0.00 0.44 -0.21 0.15 -4.84 119.66 117.03 3cce s GLN 91 Ca 0.44 -0.40 0.00 0.00 0.02 0.00 0.00 55.36 55.42 3cce s GLN 91 Cb -0.19 -3.76 0.00 0.00 1.00 0.00 0.00 33.01 30.07 3cce s GLN 91 CO 0.23 -0.40 0.00 0.39 -2.12 0.00 0.00 175.29 173.39