#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ib5 s ASP 2 N 0.00 6.58 0.04 1.08 1.11 -1.26 -4.93 116.67 119.29 1ib5 s ASP 2 Ca 0.00 1.24 0.05 0.00 0.18 0.00 0.00 52.55 54.02 1ib5 s ASP 2 Cb 0.00 -2.37 -0.03 0.00 1.07 0.00 0.00 42.92 41.59 1ib5 s ASP 2 CO 0.00 -0.41 -0.10 -0.76 1.18 0.00 0.00 175.17 175.09 1ib5 s LEU 3 N -3.76 3.03 -0.12 1.23 1.43 -0.19 -4.97 118.68 115.33 1ib5 s LEU 3 Ca 0.53 -0.26 0.03 0.00 -1.03 0.00 0.00 54.13 53.40 1ib5 s LEU 3 Cb -0.10 -1.78 0.00 0.00 0.03 0.00 0.00 46.19 44.34 1ib5 s LEU 3 CO 0.29 0.25 -0.21 0.42 0.23 0.00 0.00 176.35 177.33 1ib5 s THR 4 N -1.04 2.22 -0.14 5.49 -4.23 -1.26 0.55 115.64 117.23 1ib5 s THR 4 Ca 0.18 -0.94 0.02 0.00 -1.18 0.00 0.00 61.69 59.76 1ib5 s THR 4 Cb -0.11 -1.88 0.01 0.00 1.34 0.00 0.00 72.50 71.86 1ib5 s THR 4 CO 0.09 0.55 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.83 1ib5 s VAL 5 N 0.55 1.93 0.14 2.29 1.01 0.13 -4.90 120.40 121.54 1ib5 s VAL 5 Ca -0.13 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.66 1ib5 s VAL 5 Cb -0.17 -1.73 -0.06 0.00 0.00 0.00 0.00 36.38 34.42 1ib5 s VAL 5 CO 0.04 0.52 0.98 -0.54 0.00 0.00 0.00 175.10 176.10 1ib5 s LYS 6 N 0.98 4.70 -0.04 2.72 1.02 -1.26 -1.14 119.74 126.73 1ib5 s LYS 6 Ca -0.04 1.49 0.06 0.00 0.02 0.00 0.00 55.97 57.50 1ib5 s LYS 6 Cb -0.15 -3.35 -0.02 0.00 -0.52 0.00 0.00 37.83 33.79 1ib5 s LYS 6 CO -0.05 0.23 -0.20 -1.64 -0.92 0.00 0.00 175.35 172.78 1ib5 s MET 7 N -0.19 2.34 0.10 1.68 -1.94 -0.94 -4.34 119.30 116.01 1ib5 s MET 7 Ca 0.47 -0.80 0.08 0.00 -1.71 0.00 0.00 55.69 53.72 1ib5 s MET 7 Cb -0.24 -2.23 -0.03 0.00 2.01 0.00 0.00 34.83 34.33 1ib5 s MET 7 CO 0.31 0.59 -0.20 0.99 -0.01 0.00 0.00 175.02 176.70 1ib5 s THR 8 N -0.65 1.61 -0.16 2.05 2.01 -0.63 -1.62 115.64 118.25 1ib5 s THR 8 Ca 0.10 -1.52 -0.29 0.00 0.31 0.00 0.00 61.69 60.29 1ib5 s THR 8 Cb -0.10 -1.49 -0.01 0.00 0.01 0.00 0.00 72.50 70.91 1ib5 s THR 8 CO -0.00 -0.10 0.98 -0.62 -0.69 0.00 0.00 174.62 174.19 1ib5 s ASP 9 N -1.92 7.15 0.35 3.53 2.15 0.26 -1.48 116.67 126.69 1ib5 s ASP 9 Ca 0.05 1.42 0.08 0.00 0.43 0.00 0.00 52.55 54.53 1ib5 s ASP 9 Cb -0.10 -2.53 0.63 0.00 -0.30 0.00 0.00 42.92 40.63 1ib5 s ASP 9 CO 0.04 -0.51 1.82 -0.07 -0.17 0.00 0.00 175.17 176.28 1ib5 h LEU 10 N 8.53 0.24 0.32 -1.34 3.38 -0.30 -0.69 115.31 125.44 1ib5 h LEU 10 Ca -0.27 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 1ib5 h LEU 10 Cb 1.12 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1ib5 h LEU 10 CO 0.89 0.50 -0.15 1.56 0.09 0.00 0.00 178.44 181.32 1ib5 h GLN 11 N 0.22 -0.42 0.00 1.13 7.50 -1.89 -3.37 115.11 118.29 1ib5 h GLN 11 Ca 0.04 0.03 -0.07 0.00 0.50 0.00 0.00 58.65 59.15 1ib5 h GLN 11 Cb 0.56 0.09 -0.01 0.00 0.05 0.00 0.00 27.48 28.18 1ib5 h GLN 11 CO 0.04 -0.28 -0.32 1.79 -1.50 0.00 0.00 178.83 178.57 1ib5 h THR 12 N -1.06 0.55 0.00 -0.54 1.35 -1.94 -3.47 112.91 107.80 1ib5 h THR 12 Ca -0.04 -1.74 0.00 0.00 -0.55 0.00 0.00 66.41 64.07 1ib5 h THR 12 Cb 0.33 2.24 0.00 0.00 -1.73 0.00 0.00 68.15 68.99 1ib5 h THR 12 CO 0.07 0.31 0.00 0.61 -0.25 0.00 0.00 175.52 176.26 1ib5 n GLY 13 N 1.12 1.16 3.89 5.82 0.00 -0.27 -5.03 105.19 111.88 1ib5 n GLY 13 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1ib5 n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ib5 s LYS 14 N -0.20 3.65 0.42 1.61 1.02 -1.25 -4.73 119.74 120.26 1ib5 s LYS 14 Ca 0.00 -0.03 -0.25 0.00 0.02 0.00 0.00 55.97 55.71 1ib5 s LYS 14 Cb 0.00 -2.86 -0.08 0.00 -0.52 0.00 0.00 37.83 34.37 1ib5 s LYS 14 CO 0.00 0.48 1.22 -1.25 -0.92 0.00 0.00 175.35 174.88 1ib5 s PRO 15 N -2.53 3.91 0.00 -1.68 0.04 -1.26 -0.58 135.00 132.90 1ib5 s PRO 15 Ca 0.40 1.96 0.07 0.00 0.04 0.00 0.00 61.00 63.47 1ib5 s PRO 15 Cb -0.12 -2.63 0.11 0.00 0.04 0.00 0.00 34.50 31.91 1ib5 s PRO 15 CO 0.23 -0.48 0.90 1.33 0.04 0.00 0.00 177.00 179.03 1ib5 n VAL 16 N -0.08 0.39 0.00 -0.36 0.24 -0.64 -4.82 118.33 113.05 1ib5 n VAL 16 Ca 0.05 -0.69 0.00 0.00 -2.04 0.00 0.00 64.34 61.66 1ib5 n VAL 16 Cb 0.46 0.90 0.00 0.00 -1.47 0.00 0.00 33.84 33.73 1ib5 n VAL 16 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ib5 n GLY 17 N 0.32 0.82 3.17 7.63 0.00 -1.25 0.33 105.19 116.22 1ib5 n GLY 17 Ca 0.06 -1.75 -0.11 0.00 0.00 0.00 0.00 46.02 44.22 1ib5 n GLY 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ib5 s THR 18 N -3.36 0.10 -0.11 2.61 -4.23 -0.89 -2.22 115.64 107.54 1ib5 s THR 18 Ca 0.00 -0.83 0.03 0.00 -1.18 0.00 0.00 61.69 59.70 1ib5 s THR 18 Cb 0.00 -0.79 0.01 0.00 1.34 0.00 0.00 72.50 73.05 1ib5 s THR 18 CO 0.00 -0.46 -0.20 -0.63 -0.54 0.00 0.00 174.62 172.79 1ib5 s ILE 19 N -2.24 1.82 -0.14 2.99 1.01 -0.29 -1.51 121.20 122.84 1ib5 s ILE 19 Ca -0.08 -0.86 -0.12 0.00 0.00 0.00 0.00 60.65 59.60 1ib5 s ILE 19 Cb -0.03 -1.61 -0.05 0.00 0.01 0.00 0.00 42.46 40.79 1ib5 s ILE 19 CO -0.02 0.51 0.25 -0.70 0.00 0.00 0.00 174.94 174.97 1ib5 s GLU 20 N 0.67 4.05 -0.08 2.79 2.12 0.12 -0.69 118.70 127.68 1ib5 s GLU 20 Ca -0.12 0.03 0.01 0.00 0.36 0.00 0.00 54.97 55.25 1ib5 s GLU 20 Cb -0.16 -3.35 -0.03 0.00 0.26 0.00 0.00 34.13 30.85 1ib5 s GLU 20 CO 0.03 0.41 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.55 1ib5 s LEU 21 N -0.03 2.98 0.05 2.70 1.02 0.19 -0.47 118.68 125.13 1ib5 s LEU 21 Ca 0.15 -0.12 -0.06 0.00 0.02 0.00 0.00 54.13 54.12 1ib5 s LEU 21 Cb -0.13 -1.65 -0.01 0.00 0.02 0.00 0.00 46.19 44.43 1ib5 s LEU 21 CO 0.04 0.32 0.12 -0.94 0.02 0.00 0.00 176.35 175.90 1ib5 s SER 22 N -0.53 0.17 -0.09 2.29 1.04 -0.73 -1.03 113.70 114.82 1ib5 s SER 22 Ca 0.08 -0.56 -0.01 0.00 0.48 0.00 0.00 55.95 55.94 1ib5 s SER 22 Cb -0.12 0.25 -0.03 0.00 0.10 0.00 0.00 66.02 66.23 1ib5 s SER 22 CO 0.02 -0.56 -0.02 -1.58 0.98 0.00 0.00 173.24 172.08 1ib5 s GLN 23 N -2.90 2.98 0.28 4.02 2.00 -1.26 0.23 119.66 125.00 1ib5 s GLN 23 Ca -0.02 -0.46 -0.04 0.00 -2.00 0.00 0.00 55.36 52.84 1ib5 s GLN 23 Cb 0.01 -2.75 -0.01 0.00 0.80 0.00 0.00 33.01 31.05 1ib5 s GLN 23 CO -0.06 0.65 0.37 0.54 -0.50 0.00 0.00 175.29 176.30 1ib5 s ASN 24 N -0.76 0.49 0.45 6.67 4.22 -0.23 -4.97 114.94 120.82 1ib5 s ASN 24 Ca 0.12 -1.32 0.31 0.00 -2.14 0.00 0.00 52.86 49.83 1ib5 s ASN 24 Cb -0.11 0.56 1.42 0.00 1.28 0.00 0.00 41.25 44.40 1ib5 s ASN 24 CO 0.02 -1.12 1.65 0.50 -2.04 0.00 0.00 177.10 176.12 1ib5 h LYS 25 N 2.28 0.11 -0.20 3.55 3.64 -2.03 -0.90 116.57 123.03 1ib5 h LYS 25 Ca -0.29 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1ib5 h LYS 25 Cb 1.24 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1ib5 h LYS 25 CO 0.41 0.07 0.00 0.66 -2.27 0.00 0.00 179.45 178.32 1ib5 n TYR 26 N -4.56 0.23 0.00 1.91 4.02 -1.26 -5.08 117.16 112.42 1ib5 n TYR 26 Ca 0.35 -0.12 0.00 0.00 -0.01 0.00 0.00 57.90 58.12 1ib5 n TYR 26 Cb 1.40 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.72 1ib5 n TYR 26 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1ib5 n GLY 27 N 1.36 0.86 3.79 2.72 0.00 -0.34 -4.22 105.19 109.36 1ib5 n GLY 27 Ca 0.16 -1.98 -0.38 0.00 0.00 0.00 0.00 46.02 43.81 1ib5 n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ib5 s VAL 28 N -1.98 4.89 -0.17 1.61 1.01 -0.81 -1.07 120.40 123.88 1ib5 s VAL 28 Ca 0.00 1.12 -0.04 0.00 0.00 0.00 0.00 61.98 63.06 1ib5 s VAL 28 Cb 0.00 -3.86 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 1ib5 s VAL 28 CO 0.00 0.50 -0.03 -0.69 0.00 0.00 0.00 175.10 174.88 1ib5 s VAL 29 N -0.67 3.79 -0.41 2.92 1.01 0.13 -1.14 120.40 126.04 1ib5 s VAL 29 Ca 0.28 -0.38 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 1ib5 s VAL 29 Cb -0.18 -2.68 0.06 0.00 0.00 0.00 0.00 36.38 33.57 1ib5 s VAL 29 CO 0.16 0.47 0.25 -0.36 0.00 0.00 0.00 175.10 175.62 1ib5 s PHE 30 N 0.68 3.29 -0.46 5.22 0.40 0.13 -1.77 117.98 125.47 1ib5 s PHE 30 Ca -0.02 -1.24 -0.16 0.00 -0.60 0.00 0.00 56.93 54.92 1ib5 s PHE 30 Cb -0.14 -2.76 0.06 0.00 0.51 0.00 0.00 43.02 40.68 1ib5 s PHE 30 CO 0.02 -0.76 0.41 0.42 0.70 0.00 0.00 175.22 176.01 1ib5 s ILE 31 N 1.50 5.18 0.35 0.64 1.09 0.38 -0.46 121.20 129.89 1ib5 s ILE 31 Ca 0.02 -0.85 -0.23 0.00 -1.10 0.00 0.00 60.65 58.50 1ib5 s ILE 31 Cb -0.22 -4.10 -0.10 0.00 -1.06 0.00 0.00 42.46 36.98 1ib5 s ILE 31 CO 0.04 -0.54 0.91 -2.16 -0.10 0.00 0.00 174.94 173.09 1ib5 s PRO 32 N 1.81 4.37 -0.42 2.79 0.04 -1.26 -0.70 135.00 141.63 1ib5 s PRO 32 Ca 0.06 1.15 0.08 0.00 0.04 0.00 0.00 61.00 62.34 1ib5 s PRO 32 Cb -0.22 -2.54 0.31 0.00 0.04 0.00 0.00 34.50 32.08 1ib5 s PRO 32 CO 0.09 0.16 0.85 0.39 0.04 0.00 0.00 177.00 178.53 1ib5 n GLU 33 N 0.05 0.92 -4.17 4.56 -0.58 -0.57 -3.90 120.64 116.95 1ib5 n GLU 33 Ca 0.04 -2.63 -0.25 0.00 -0.42 0.00 0.00 57.16 53.90 1ib5 n GLU 33 Cb 0.52 -1.37 -0.08 0.00 -0.57 0.00 0.00 31.44 29.95 1ib5 n GLU 33 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1ib5 s LEU 34 N -1.94 3.11 0.32 -4.62 1.43 -0.76 -2.09 118.68 114.13 1ib5 s LEU 34 Ca 0.32 -1.05 -0.12 0.00 -1.03 0.00 0.00 54.13 52.25 1ib5 s LEU 34 Cb 0.28 -1.44 0.02 0.00 0.03 0.00 0.00 46.19 45.09 1ib5 s LEU 34 CO -0.10 -0.48 0.60 0.00 0.23 0.00 0.00 176.35 176.60 1ib5 s ALA 35 N -2.58 -0.24 -1.37 4.21 0.00 0.15 -2.08 121.76 119.85 1ib5 s ALA 35 Ca 0.40 -0.94 -0.04 0.00 0.00 0.00 0.00 51.96 51.37 1ib5 s ALA 35 Cb 0.03 0.94 0.00 0.00 0.00 0.00 0.00 23.12 24.10 1ib5 s ALA 35 CO 0.22 -0.90 0.57 -0.25 0.00 0.00 0.00 175.76 175.40 1ib5 n ASP 36 N -0.99 -5.65 -4.51 0.00 8.00 -1.10 -4.72 116.55 107.59 1ib5 n ASP 36 Ca -0.03 -0.27 -0.27 0.00 0.71 0.00 0.00 54.79 54.93 1ib5 n ASP 36 Cb 0.61 -4.46 -0.10 0.00 -0.02 0.00 0.00 41.12 37.14 1ib5 n ASP 36 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1ib5 s LEU 37 N -6.00 2.74 0.13 0.64 1.43 -1.18 -5.08 118.68 111.36 1ib5 s LEU 37 Ca 0.28 -0.70 -0.30 0.00 -1.03 0.00 0.00 54.13 52.39 1ib5 s LEU 37 Cb -0.13 -1.45 -0.07 0.00 0.03 0.00 0.00 46.19 44.58 1ib5 s LEU 37 CO 0.35 0.11 1.10 0.42 0.23 0.00 0.00 176.35 178.57 1ib5 s THR 38 N -1.66 4.02 1.00 5.49 -4.23 -1.26 -4.34 115.64 114.65 1ib5 s THR 38 Ca 0.23 1.64 -0.14 0.00 -1.18 0.00 0.00 61.69 62.24 1ib5 s THR 38 Cb -0.08 -4.05 0.06 0.00 1.34 0.00 0.00 72.50 69.77 1ib5 s THR 38 CO 0.13 0.23 0.32 -2.65 -0.54 0.00 0.00 174.62 172.12 1ib5 n PRO 39 N 2.86 -0.65 0.00 3.99 -0.02 -1.26 -4.79 135.00 135.13 1ib5 n PRO 39 Ca 0.04 -0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1ib5 n PRO 39 Cb 0.47 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 1ib5 n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ib5 n GLY 40 N 1.61 -0.67 3.82 -1.23 0.00 -0.85 -4.91 105.19 102.95 1ib5 n GLY 40 Ca 0.05 -2.23 -0.37 0.00 0.00 0.00 0.00 46.02 43.47 1ib5 n GLY 40 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ib5 s MET 41 N -0.29 3.88 -0.02 1.61 -1.94 -1.26 -0.78 119.30 120.49 1ib5 s MET 41 Ca 0.00 0.18 0.07 0.00 -1.71 0.00 0.00 55.69 54.23 1ib5 s MET 41 Cb 0.00 -3.27 -0.02 0.00 2.01 0.00 0.00 34.83 33.55 1ib5 s MET 41 CO 0.00 0.59 -0.24 -1.01 -0.01 0.00 0.00 175.02 174.35 1ib5 s HIS 42 N -0.64 2.21 0.23 -0.03 3.76 0.17 -3.72 115.29 117.27 1ib5 s HIS 42 Ca 0.19 -0.46 -0.31 0.00 -0.15 0.00 0.00 55.06 54.33 1ib5 s HIS 42 Cb -0.14 -1.43 -0.12 0.00 1.11 0.00 0.00 32.58 32.00 1ib5 s HIS 42 CO 0.08 -0.06 1.69 0.41 -0.85 0.00 0.00 174.74 176.00 1ib5 n GLY 43 N 2.56 1.48 2.85 -2.22 0.00 -0.25 -0.51 105.19 109.09 1ib5 n GLY 43 Ca -0.16 0.57 -0.28 0.00 0.00 0.00 0.00 46.02 46.15 1ib5 n GLY 43 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1ib5 s PHE 44 N 0.82 1.65 0.05 1.61 5.36 -1.26 -1.43 117.98 124.78 1ib5 s PHE 44 Ca 0.72 -1.17 -0.02 0.00 -0.96 0.00 0.00 56.93 55.50 1ib5 s PHE 44 Cb -0.50 -1.28 -0.03 0.00 -0.34 0.00 0.00 43.02 40.86 1ib5 s PHE 44 CO 0.37 -0.65 0.01 -1.01 -1.46 0.00 0.00 175.22 172.48 1ib5 s HIS 45 N 1.65 0.44 -0.17 10.12 3.76 -0.87 -3.05 115.29 127.17 1ib5 s HIS 45 Ca -0.01 -0.95 -0.11 0.00 -0.15 0.00 0.00 55.06 53.84 1ib5 s HIS 45 Cb -0.17 -0.32 -0.05 0.00 1.11 0.00 0.00 32.58 33.15 1ib5 s HIS 45 CO -0.07 -0.39 0.20 0.42 -0.85 0.00 0.00 174.74 174.04 1ib5 s ILE 46 N -3.72 5.37 0.35 0.60 -1.09 -0.79 -0.14 121.20 121.79 1ib5 s ILE 46 Ca 0.05 0.34 0.07 0.00 -2.23 0.00 0.00 60.65 58.88 1ib5 s ILE 46 Cb 0.06 -3.52 -0.02 0.00 -1.58 0.00 0.00 42.46 37.40 1ib5 s ILE 46 CO -0.09 0.45 0.34 -1.00 -1.23 0.00 0.00 174.94 173.41 1ib5 s HIS 47 N 0.16 2.90 0.07 3.97 3.76 0.82 -1.43 115.29 125.54 1ib5 s HIS 47 Ca 0.12 -0.32 -0.35 0.00 -0.15 0.00 0.00 55.06 54.36 1ib5 s HIS 47 Cb -0.12 -1.90 -0.19 0.00 1.11 0.00 0.00 32.58 31.48 1ib5 s HIS 47 CO 0.01 0.09 1.59 0.37 -0.85 0.00 0.00 174.74 175.96 1ib5 h GLN 48 N 1.14 -1.06 -6.39 1.40 5.75 -0.65 -3.25 115.11 112.06 1ib5 h GLN 48 Ca -0.44 0.07 -0.55 0.00 -0.15 0.00 0.00 58.65 57.58 1ib5 h GLN 48 Cb 1.26 0.24 -0.03 0.00 1.07 0.00 0.00 27.48 30.01 1ib5 h GLN 48 CO 0.57 -0.71 -0.10 -0.80 -2.65 0.00 0.00 178.83 175.15 1ib5 s ASN 49 N -4.24 6.72 -1.43 -0.69 0.01 0.35 -4.72 114.94 110.93 1ib5 s ASN 49 Ca -0.19 1.00 -0.10 0.00 -0.71 0.00 0.00 52.86 52.86 1ib5 s ASN 49 Cb 0.03 -2.26 0.06 0.00 0.41 0.00 0.00 41.25 39.49 1ib5 s ASN 49 CO 0.61 0.01 2.36 0.61 -1.51 0.00 0.00 177.10 179.17 1ib5 n GLY 50 N 0.29 4.63 3.47 0.66 0.00 -0.71 -3.49 105.19 110.04 1ib5 n GLY 50 Ca -0.02 -1.79 -0.17 0.00 0.00 0.00 0.00 46.02 44.04 1ib5 n GLY 50 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ib5 s SER 51 N 1.77 -0.58 0.00 1.61 0.15 -1.26 -4.94 113.70 110.45 1ib5 s SER 51 Ca 0.52 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.78 1ib5 s SER 51 Cb 0.15 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 1ib5 s SER 51 CO -0.06 -0.59 0.85 0.00 1.20 0.00 0.00 173.24 174.64 1ib5 s ALA 53 N -0.70 -0.70 0.75 0.00 0.00 -1.26 -3.63 121.76 116.22 1ib5 s ALA 53 Ca 0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 51.96 51.51 1ib5 s ALA 53 Cb 0.00 -3.14 0.09 0.00 0.00 0.00 0.00 23.12 20.06 1ib5 s ALA 53 CO 0.00 -4.18 1.07 -1.12 0.00 0.00 0.00 175.76 171.53 1ib5 s SER 54 N -2.69 4.52 0.13 0.00 0.01 -1.26 -2.27 113.70 112.13 1ib5 s SER 54 Ca 0.69 0.39 -0.07 0.00 1.31 0.00 0.00 55.95 58.26 1ib5 s SER 54 Cb -0.21 -0.92 -0.01 0.00 0.21 0.00 0.00 66.02 65.09 1ib5 s SER 54 CO 0.63 -1.80 0.21 -0.94 0.41 0.00 0.00 173.24 171.75 1ib5 s SER 55 N -4.59 0.12 0.16 2.44 1.04 -0.86 -3.99 113.70 108.02 1ib5 s SER 55 Ca 0.63 -0.85 0.07 0.00 0.48 0.00 0.00 55.95 56.28 1ib5 s SER 55 Cb -0.09 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 1ib5 s SER 55 CO 0.46 -0.81 -0.02 -0.70 0.98 0.00 0.00 173.24 173.16 1ib5 s GLU 56 N -3.94 2.36 -0.27 4.02 -6.30 -1.26 -0.42 118.70 112.89 1ib5 s GLU 56 Ca 0.14 -1.10 -0.01 0.00 -2.50 0.00 0.00 54.97 51.50 1ib5 s GLU 56 Cb 0.05 -2.35 0.16 0.00 0.00 0.00 0.00 34.13 31.99 1ib5 s GLU 56 CO -0.04 0.46 0.48 0.21 0.02 0.00 0.00 175.26 176.39 1ib5 s LYS 57 N -2.83 0.45 -1.46 4.30 2.47 0.00 -4.92 119.74 117.76 1ib5 s LYS 57 Ca 0.27 0.63 -0.10 0.00 -1.56 0.00 0.00 55.97 55.21 1ib5 s LYS 57 Cb -0.10 -0.04 0.05 0.00 -1.46 0.00 0.00 37.83 36.28 1ib5 s LYS 57 CO 0.18 -0.73 0.80 -0.25 0.16 0.00 0.00 175.35 175.50 1ib5 n ASP 58 N 5.39 -5.15 0.00 1.43 9.92 -1.26 -1.51 116.55 125.36 1ib5 n ASP 58 Ca -0.01 -0.52 0.00 0.00 -0.53 0.00 0.00 54.79 53.73 1ib5 n ASP 58 Cb 0.51 -4.14 0.00 0.00 -0.64 0.00 0.00 41.12 36.84 1ib5 n ASP 58 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ib5 n GLY 59 N -1.57 1.29 3.79 0.44 0.00 -1.26 -5.05 105.19 102.82 1ib5 n GLY 59 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 1ib5 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ib5 s LYS 60 N -0.54 2.70 0.05 1.61 1.02 -0.57 -5.11 119.74 118.89 1ib5 s LYS 60 Ca 0.00 -1.23 -0.12 0.00 0.02 0.00 0.00 55.97 54.64 1ib5 s LYS 60 Cb 0.00 -2.43 -0.06 0.00 -0.52 0.00 0.00 37.83 34.83 1ib5 s LYS 60 CO 0.00 0.30 0.41 0.08 -0.92 0.00 0.00 175.35 175.21 1ib5 s VAL 61 N -2.24 5.07 -0.30 3.17 1.01 -1.26 -0.82 120.40 125.02 1ib5 s VAL 61 Ca 0.35 0.61 0.02 0.00 0.00 0.00 0.00 61.98 62.95 1ib5 s VAL 61 Cb -0.07 -3.67 0.09 0.00 0.00 0.00 0.00 36.38 32.74 1ib5 s VAL 61 CO 0.24 0.40 0.04 -0.69 0.00 0.00 0.00 175.10 175.09 1ib5 s VAL 62 N -1.28 1.61 0.12 2.92 1.01 0.44 -4.93 120.40 120.29 1ib5 s VAL 62 Ca 0.29 -1.75 -0.31 0.00 0.00 0.00 0.00 61.98 60.22 1ib5 s VAL 62 Cb -0.15 -2.12 -0.10 0.00 0.00 0.00 0.00 36.38 34.01 1ib5 s VAL 62 CO 0.16 -0.51 1.85 -0.76 0.00 0.00 0.00 175.10 175.84 1ib5 s LEU 63 N 1.27 4.40 -0.98 3.92 1.02 -1.26 -1.21 118.68 125.85 1ib5 s LEU 63 Ca 0.07 2.77 0.00 0.00 0.02 0.00 0.00 54.13 56.98 1ib5 s LEU 63 Cb -0.18 -3.56 0.00 0.00 0.02 0.00 0.00 46.19 42.46 1ib5 s LEU 63 CO -0.14 -1.01 0.00 0.61 0.02 0.00 0.00 176.35 175.83 1ib5 n GLY 64 N 4.27 0.78 0.22 -3.19 0.00 -1.13 -4.57 105.19 101.56 1ib5 n GLY 64 Ca 0.18 -0.55 0.14 0.00 0.00 0.00 0.00 46.02 45.78 1ib5 n GLY 64 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ib5 h GLY 65 N 0.00 0.00 2.00 -0.02 0.00 -0.93 -3.11 103.07 101.01 1ib5 h GLY 65 Ca -0.21 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 1ib5 h GLY 65 CO 0.29 0.00 -0.09 0.00 0.00 0.00 0.00 176.54 176.74 1ib5 h ALA 66 N 2.09 1.08 0.00 3.60 0.00 -1.58 -2.36 119.26 122.08 1ib5 h ALA 66 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1ib5 h ALA 66 Cb 0.75 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1ib5 h ALA 66 CO 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 179.25 179.32 1ib5 h ALA 67 N 1.91 1.16 0.00 0.00 0.00 -1.46 -3.42 119.26 117.46 1ib5 h ALA 67 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ib5 h ALA 67 Cb 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ib5 h ALA 67 CO 0.01 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.73 1ib5 n GLY 68 N -0.76 -1.68 0.00 0.00 0.00 -0.89 0.13 105.19 101.99 1ib5 n GLY 68 Ca -0.02 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.60 1ib5 n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ib5 n GLY 69 N 0.00 -0.82 3.79 -0.02 0.00 -1.26 -4.63 105.19 102.26 1ib5 n GLY 69 Ca 0.00 -1.68 -0.34 0.00 0.00 0.00 0.00 46.02 44.00 1ib5 n GLY 69 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ib5 s HIS 70 N -0.49 2.93 -0.03 1.61 3.76 -1.26 -0.43 115.29 121.39 1ib5 s HIS 70 Ca 0.00 1.56 -0.30 0.00 -0.15 0.00 0.00 55.06 56.17 1ib5 s HIS 70 Cb 0.00 -3.09 -0.07 0.00 1.11 0.00 0.00 32.58 30.52 1ib5 s HIS 70 CO 0.00 -1.03 1.93 -0.47 -0.85 0.00 0.00 174.74 174.31 1ib5 s TYR 71 N -2.05 1.43 -0.41 1.40 5.04 -0.51 -4.39 117.35 117.86 1ib5 s TYR 71 Ca 0.67 -0.17 0.07 0.00 -2.44 0.00 0.00 57.07 55.21 1ib5 s TYR 71 Cb -0.18 -4.14 0.24 0.00 0.35 0.00 0.00 41.96 38.24 1ib5 s TYR 71 CO 0.25 -4.95 0.51 -3.47 -1.34 0.00 0.00 175.55 166.55 1ib5 n ASP 72 N 8.07 0.28 -0.24 4.32 2.03 -1.26 -1.57 116.55 128.17 1ib5 n ASP 72 Ca 0.21 -2.69 0.10 0.00 0.52 0.00 0.00 54.79 52.93 1ib5 n ASP 72 Cb 0.42 -0.63 0.37 0.00 -0.72 0.00 0.00 41.12 40.56 1ib5 n ASP 72 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1ib5 h PRO 73 N 4.24 0.70 -0.29 -0.67 0.11 -1.95 -1.21 132.00 132.93 1ib5 h PRO 73 Ca 0.10 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1ib5 h PRO 73 Cb 0.87 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.82 1ib5 h PRO 73 CO 0.47 0.46 0.00 0.39 -0.21 0.00 0.00 178.00 179.11 1ib5 n GLU 74 N -4.53 1.81 -3.76 1.05 1.02 -1.26 -4.95 120.64 110.03 1ib5 n GLU 74 Ca 0.15 -1.25 -0.33 0.00 -0.02 0.00 0.00 57.16 55.71 1ib5 n GLU 74 Cb 0.39 -1.33 0.03 0.00 -0.02 0.00 0.00 31.44 30.50 1ib5 n GLU 74 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1ib5 n HIS 75 N 0.49 -1.84 0.07 -0.32 8.25 -0.46 -4.88 115.22 116.52 1ib5 n HIS 75 Ca 0.14 0.42 0.05 0.00 -0.26 0.00 0.00 57.72 58.06 1ib5 n HIS 75 Cb 0.32 -3.25 -0.04 0.00 1.12 0.00 0.00 29.99 28.14 1ib5 n HIS 75 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1ib5 h THR 76 N -1.84 0.30 -4.48 1.59 1.35 -1.91 -3.48 112.91 104.44 1ib5 h THR 76 Ca -0.65 -1.58 -0.38 0.00 -0.55 0.00 0.00 66.41 63.25 1ib5 h THR 76 Cb 1.36 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 69.61 1ib5 h THR 76 CO 0.47 0.17 -0.55 0.59 -0.25 0.00 0.00 175.52 175.95 1ib5 n ASN 77 N -2.82 -5.17 -3.86 5.36 3.02 -1.26 -4.92 115.26 105.62 1ib5 n ASN 77 Ca -0.05 -0.22 -0.11 0.00 -0.03 0.00 0.00 54.58 54.16 1ib5 n ASN 77 Cb 0.72 -4.24 -0.10 0.00 -0.61 0.00 0.00 39.78 35.55 1ib5 n ASN 77 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1ib5 s LYS 78 N -5.62 0.45 -0.06 3.52 1.02 -1.26 -5.06 119.74 112.73 1ib5 s LYS 78 Ca 0.25 -0.28 -0.03 0.00 0.02 0.00 0.00 55.97 55.94 1ib5 s LYS 78 Cb -0.12 0.19 -0.04 0.00 -0.52 0.00 0.00 37.83 37.34 1ib5 s LYS 78 CO 0.31 -0.10 0.08 -1.58 -0.92 0.00 0.00 175.35 173.14 1ib5 s HIS 79 N -1.13 3.35 0.00 3.18 5.65 -1.26 -1.20 115.29 123.88 1ib5 s HIS 79 Ca -0.12 0.30 0.00 0.00 0.25 0.00 0.00 55.06 55.49 1ib5 s HIS 79 Cb -0.06 -1.81 0.00 0.00 -1.18 0.00 0.00 32.58 29.52 1ib5 s HIS 79 CO 0.01 0.58 0.00 0.41 -0.65 0.00 0.00 174.74 175.10 1ib5 n GLY 80 N 1.66 3.34 3.95 1.59 0.00 -1.26 -4.11 105.19 110.35 1ib5 n GLY 80 Ca -0.16 -0.30 -0.24 0.00 0.00 0.00 0.00 46.02 45.32 1ib5 n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ib5 s PHE 81 N -0.51 3.06 -1.21 1.61 0.08 -1.26 -4.57 117.98 115.18 1ib5 s PHE 81 Ca 0.00 0.29 0.30 0.00 0.12 0.00 0.00 56.93 57.63 1ib5 s PHE 81 Cb 0.00 -2.71 1.38 0.00 -0.57 0.00 0.00 43.02 41.12 1ib5 s PHE 81 CO 0.00 -0.81 1.99 -2.30 -0.10 0.00 0.00 175.22 174.00 1ib5 n PRO 82 N -2.43 0.21 -0.45 0.24 -0.02 -1.25 -3.56 135.00 127.74 1ib5 n PRO 82 Ca 0.05 -0.00 0.06 0.00 -2.02 0.00 0.00 63.50 61.59 1ib5 n PRO 82 Cb 0.59 -1.50 0.19 0.00 -0.02 0.00 0.00 33.50 32.76 1ib5 n PRO 82 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 1ib5 n TYR 83 N -1.40 0.19 -4.84 6.00 0.18 -1.26 -4.25 117.16 111.78 1ib5 n TYR 83 Ca 0.10 -1.31 -0.27 0.00 1.88 0.00 0.00 57.90 58.30 1ib5 n TYR 83 Cb 0.29 -0.25 -0.16 0.00 -0.38 0.00 0.00 39.34 38.84 1ib5 n TYR 83 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 1ib5 s THR 84 N -3.10 1.47 -0.34 -3.48 -4.23 -1.23 -5.06 115.64 99.66 1ib5 s THR 84 Ca 0.37 -0.71 0.20 0.00 -1.18 0.00 0.00 61.69 60.37 1ib5 s THR 84 Cb 0.34 -1.28 0.24 0.00 1.34 0.00 0.00 72.50 73.15 1ib5 s THR 84 CO -0.02 0.42 1.53 0.44 -0.54 0.00 0.00 174.62 176.46 1ib5 h ASP 85 N 6.48 0.00 -0.36 3.99 3.32 -1.93 -3.37 116.42 124.54 1ib5 h ASP 85 Ca -0.30 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.51 1ib5 h ASP 85 Cb 1.19 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.64 1ib5 h ASP 85 CO 0.48 0.16 0.25 -0.67 -1.72 0.00 0.00 179.24 177.74 1ib5 n ASP 86 N -3.12 6.08 -3.85 6.45 2.03 -1.26 -4.87 116.55 118.01 1ib5 n ASP 86 Ca 0.03 -2.86 -0.07 0.00 0.52 0.00 0.00 54.79 52.41 1ib5 n ASP 86 Cb 0.60 -1.11 -0.02 0.00 -0.72 0.00 0.00 41.12 39.86 1ib5 n ASP 86 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1ib5 s ASN 87 N 0.82 -0.26 -0.34 1.67 4.22 -1.26 -4.74 114.94 115.04 1ib5 s ASN 87 Ca 0.26 -0.60 -0.32 0.00 -2.14 0.00 0.00 52.86 50.07 1ib5 s ASN 87 Cb 0.19 0.72 -0.14 0.00 1.28 0.00 0.00 41.25 43.31 1ib5 s ASN 87 CO -0.02 -1.34 1.13 1.41 -2.04 0.00 0.00 177.10 176.25 1ib5 n HIS 88 N -0.46 1.15 0.31 1.54 8.25 -0.34 -4.74 115.22 120.94 1ib5 n HIS 88 Ca -0.04 0.75 0.10 0.00 -0.26 0.00 0.00 57.72 58.27 1ib5 n HIS 88 Cb 0.59 -1.52 0.43 0.00 1.12 0.00 0.00 29.99 30.61 1ib5 n HIS 88 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1ib5 n LYS 89 N 3.00 0.13 -0.25 -0.41 4.81 -0.93 -1.92 118.16 122.58 1ib5 n LYS 89 Ca 0.23 0.46 0.06 0.00 -0.87 0.00 0.00 58.31 58.18 1ib5 n LYS 89 Cb -0.04 -1.79 0.18 0.00 0.02 0.00 0.00 35.03 33.40 1ib5 n LYS 89 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ib5 n GLY 90 N -0.48 1.11 3.54 3.14 0.00 -0.61 -4.81 105.19 107.07 1ib5 n GLY 90 Ca 0.01 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 1ib5 n GLY 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ib5 s ASP 91 N -0.87 6.31 0.43 1.61 1.01 -0.81 -1.89 116.67 122.46 1ib5 s ASP 91 Ca 0.26 -0.31 0.03 0.00 0.71 0.00 0.00 52.55 53.24 1ib5 s ASP 91 Cb 0.15 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.58 1ib5 s ASP 91 CO 0.15 -1.49 0.62 -0.76 0.21 0.00 0.00 175.17 173.91 1ib5 s LEU 92 N 4.72 3.67 0.63 1.23 1.43 -1.17 -3.77 118.68 125.42 1ib5 s LEU 92 Ca 0.34 0.03 -0.15 0.00 -1.03 0.00 0.00 54.13 53.33 1ib5 s LEU 92 Cb -0.10 -2.95 -0.02 0.00 0.03 0.00 0.00 46.19 43.15 1ib5 s LEU 92 CO 0.19 -0.71 1.09 -2.84 0.23 0.00 0.00 176.35 174.31 1ib5 s PRO 93 N -4.47 3.01 0.70 1.29 0.02 -1.26 -4.71 135.00 129.58 1ib5 s PRO 93 Ca 0.50 1.32 -0.16 0.00 0.02 0.00 0.00 61.00 62.67 1ib5 s PRO 93 Cb -0.10 -1.98 0.02 0.00 0.02 0.00 0.00 34.50 32.46 1ib5 s PRO 93 CO 0.36 -1.07 1.25 0.00 -0.33 0.00 0.00 177.00 177.20 1ib5 s ALA 94 N -2.38 2.21 -0.23 -1.55 0.00 -1.26 -4.50 121.76 114.06 1ib5 s ALA 94 Ca 0.66 1.04 -0.11 0.00 0.00 0.00 0.00 51.96 53.55 1ib5 s ALA 94 Cb -0.19 -3.51 -0.05 0.00 0.00 0.00 0.00 23.12 19.37 1ib5 s ALA 94 CO 0.40 -1.78 0.19 -1.17 0.00 0.00 0.00 175.76 173.39 1ib5 s LEU 95 N -4.82 4.14 -0.07 0.00 2.96 0.34 -4.87 118.68 116.35 1ib5 s LEU 95 Ca 0.78 0.19 -0.17 0.00 -0.22 0.00 0.00 54.13 54.72 1ib5 s LEU 95 Cb -0.33 -2.16 -0.05 0.00 0.50 0.00 0.00 46.19 44.15 1ib5 s LEU 95 CO 0.43 0.07 0.44 0.12 -1.32 0.00 0.00 176.35 176.09 1ib5 s PHE 96 N 0.96 3.60 -0.18 5.38 5.36 -1.26 0.42 117.98 132.25 1ib5 s PHE 96 Ca 0.09 0.92 0.00 0.00 -0.96 0.00 0.00 56.93 56.99 1ib5 s PHE 96 Cb -0.13 -2.44 0.01 0.00 -0.34 0.00 0.00 43.02 40.12 1ib5 s PHE 96 CO 0.04 0.36 -0.17 0.08 -1.46 0.00 0.00 175.22 174.07 1ib5 s VAL 97 N -0.07 2.31 1.32 3.12 1.01 0.04 -4.55 120.40 123.58 1ib5 s VAL 97 Ca 0.24 -0.86 -0.18 0.00 0.00 0.00 0.00 61.98 61.18 1ib5 s VAL 97 Cb -0.16 -1.99 0.33 0.00 0.00 0.00 0.00 36.38 34.57 1ib5 s VAL 97 CO 0.11 0.52 0.97 -0.44 0.00 0.00 0.00 175.10 176.26 1ib5 s SER 98 N 1.29 -0.24 0.42 3.32 0.01 0.71 -2.00 113.70 117.21 1ib5 s SER 98 Ca 0.04 1.14 0.16 0.00 1.31 0.00 0.00 55.95 58.60 1ib5 s SER 98 Cb -0.13 -1.71 0.93 0.00 0.21 0.00 0.00 66.02 65.32 1ib5 s SER 98 CO -0.10 -4.90 1.92 0.00 0.41 0.00 0.00 173.24 170.57 1ib5 h ALA 99 N -3.10 1.45 -0.16 1.44 0.00 -1.98 -1.85 119.26 115.06 1ib5 h ALA 99 Ca -0.52 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.14 1ib5 h ALA 99 Cb 1.34 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1ib5 h ALA 99 CO 0.39 0.34 0.00 0.27 0.00 0.00 0.00 179.25 180.24 1ib5 n ASN 100 N -4.07 1.24 0.00 0.00 6.94 -1.26 -4.86 115.26 113.25 1ib5 n ASN 100 Ca -0.02 -1.75 0.00 0.00 -0.02 0.00 0.00 54.58 52.79 1ib5 n ASN 100 Cb 0.33 -0.11 0.00 0.00 -2.36 0.00 0.00 39.78 37.64 1ib5 n ASN 100 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ib5 n GLY 101 N 0.99 0.51 3.93 4.83 0.00 -0.70 -4.81 105.19 109.94 1ib5 n GLY 101 Ca 0.13 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 1ib5 n GLY 101 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ib5 s LEU 102 N 0.00 4.33 -0.17 0.99 1.43 -1.26 -2.71 118.68 121.29 1ib5 s LEU 102 Ca 0.00 0.21 -0.02 0.00 -1.03 0.00 0.00 54.13 53.29 1ib5 s LEU 102 Cb 0.00 -2.92 0.05 0.00 0.03 0.00 0.00 46.19 43.36 1ib5 s LEU 102 CO 0.00 0.11 -0.00 0.00 0.23 0.00 0.00 176.35 176.69 1ib5 s ALA 103 N -1.63 1.19 0.00 4.21 0.00 -0.88 -0.21 121.76 124.44 1ib5 s ALA 103 Ca 0.35 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1ib5 s ALA 103 Cb -0.12 -1.13 0.00 0.00 0.00 0.00 0.00 23.12 21.87 1ib5 s ALA 103 CO 0.28 -0.97 0.54 0.25 0.00 0.00 0.00 175.76 175.86 1ib5 n THR 104 N 4.98 0.00 -2.97 0.00 -2.24 -1.25 -1.83 114.28 110.97 1ib5 n THR 104 Ca -0.10 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.25 1ib5 n THR 104 Cb 0.47 0.79 -0.05 0.00 -2.10 0.00 0.00 70.33 69.44 1ib5 n THR 104 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1ib5 s ASN 105 N -0.18 6.32 0.60 3.42 3.84 -1.26 -4.64 114.94 123.03 1ib5 s ASN 105 Ca 0.00 -0.48 -0.20 0.00 0.21 0.00 0.00 52.86 52.39 1ib5 s ASN 105 Cb 0.00 -2.38 -0.03 0.00 -0.55 0.00 0.00 41.25 38.29 1ib5 s ASN 105 CO 0.00 -1.05 1.26 -2.65 -2.79 0.00 0.00 177.10 171.87 1ib5 n PRO 106 N 6.89 1.30 -4.16 0.43 -0.02 -1.26 -4.57 135.00 133.61 1ib5 n PRO 106 Ca -0.01 0.49 -0.17 0.00 -2.02 0.00 0.00 63.50 61.79 1ib5 n PRO 106 Cb 0.47 -2.49 -0.12 0.00 -0.02 0.00 0.00 33.50 31.35 1ib5 n PRO 106 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1ib5 s VAL 107 N -1.36 1.03 -0.07 -1.45 1.01 0.39 -4.95 120.40 115.00 1ib5 s VAL 107 Ca 0.77 -1.31 0.02 0.00 0.00 0.00 0.00 61.98 61.46 1ib5 s VAL 107 Cb -0.40 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.91 1ib5 s VAL 107 CO 0.45 -0.28 -0.11 -0.22 0.00 0.00 0.00 175.10 174.94 1ib5 s LEU 108 N -1.79 2.91 -0.34 3.92 2.96 -1.26 0.17 118.68 125.25 1ib5 s LEU 108 Ca -0.02 -0.14 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 1ib5 s LEU 108 Cb -0.09 -1.62 0.10 0.00 0.50 0.00 0.00 46.19 45.08 1ib5 s LEU 108 CO 0.02 0.33 0.06 0.00 -1.32 0.00 0.00 176.35 175.44 1ib5 s ALA 109 N -0.64 2.68 0.34 5.97 0.00 -0.29 -4.54 121.76 125.28 1ib5 s ALA 109 Ca 0.10 -2.41 0.06 0.00 0.00 0.00 0.00 51.96 49.71 1ib5 s ALA 109 Cb -0.11 -1.92 0.61 0.00 0.00 0.00 0.00 23.12 21.71 1ib5 s ALA 109 CO 0.01 -1.69 1.84 -1.35 0.00 0.00 0.00 175.76 174.58 1ib5 h PRO 110 N 7.68 0.39 -0.21 0.00 0.11 -1.76 -2.14 132.00 136.06 1ib5 h PRO 110 Ca -0.06 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1ib5 h PRO 110 Cb 1.02 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1ib5 h PRO 110 CO 0.51 0.52 0.00 0.54 -0.21 0.00 0.00 178.00 179.37 1ib5 n ARG 111 N -4.22 1.59 -4.33 1.05 1.74 -1.26 -4.64 116.66 106.59 1ib5 n ARG 111 Ca 0.00 -0.90 -0.24 0.00 -0.77 0.00 0.00 57.85 55.94 1ib5 n ARG 111 Cb 0.31 -1.27 -0.08 0.00 -1.02 0.00 0.00 32.46 30.39 1ib5 n ARG 111 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1ib5 s LEU 112 N -1.24 3.01 0.03 0.55 1.43 -1.19 -5.06 118.68 116.21 1ib5 s LEU 112 Ca 0.23 -0.87 0.02 0.00 -1.03 0.00 0.00 54.13 52.48 1ib5 s LEU 112 Cb 0.12 -1.46 -0.02 0.00 0.03 0.00 0.00 46.19 44.86 1ib5 s LEU 112 CO 0.17 -0.12 -0.06 0.42 0.23 0.00 0.00 176.35 176.99 1ib5 s THR 113 N -2.45 0.42 0.11 5.49 -4.23 -1.26 -3.80 115.64 109.92 1ib5 s THR 113 Ca 0.33 -0.86 -0.23 0.00 -1.18 0.00 0.00 61.69 59.75 1ib5 s THR 113 Cb -0.03 -0.48 -0.09 0.00 1.34 0.00 0.00 72.50 73.24 1ib5 s THR 113 CO 0.19 -0.30 1.70 -0.07 -0.54 0.00 0.00 174.62 175.60 1ib5 h LEU 114 N 4.84 -0.24 -0.92 4.79 3.38 -1.96 -3.11 115.31 122.09 1ib5 h LEU 114 Ca -0.33 0.04 0.23 0.00 0.09 0.00 0.00 57.88 57.90 1ib5 h LEU 114 Cb 1.20 0.11 -0.12 0.00 0.09 0.00 0.00 40.66 41.94 1ib5 h LEU 114 CO 0.43 -0.12 0.45 0.11 0.09 0.00 0.00 178.44 179.40 1ib5 h LYS 115 N -0.13 0.44 0.00 1.13 1.57 -2.00 -0.52 116.57 117.07 1ib5 h LYS 115 Ca 0.04 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1ib5 h LYS 115 Cb 0.18 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1ib5 h LYS 115 CO -0.10 0.29 0.00 -0.85 -0.57 0.00 0.00 179.45 178.22 1ib5 n GLU 116 N -4.99 0.22 0.09 3.15 0.28 -1.18 -3.78 120.64 114.43 1ib5 n GLU 116 Ca 0.23 0.26 -0.06 0.00 -0.16 0.00 0.00 57.16 57.43 1ib5 n GLU 116 Cb 0.68 -1.80 -0.02 0.00 1.43 0.00 0.00 31.44 31.72 1ib5 n GLU 116 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1ib5 h LEU 117 N 0.00 0.05 -9.74 -1.84 3.38 -1.09 -3.47 115.31 102.60 1ib5 h LEU 117 Ca 0.00 -0.04 -0.57 0.00 0.09 0.00 0.00 57.88 57.35 1ib5 h LEU 117 Cb 0.61 -0.01 0.15 0.00 0.09 0.00 0.00 40.66 41.50 1ib5 h LEU 117 CO 0.00 0.91 0.14 0.29 0.09 0.00 0.00 178.44 179.86 1ib5 n LYS 118 N -3.53 1.14 -0.59 1.13 5.02 -1.24 -1.94 118.16 118.16 1ib5 n LYS 118 Ca -0.01 0.42 0.00 0.00 -2.02 0.00 0.00 58.31 56.70 1ib5 n LYS 118 Cb 0.83 -2.11 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 1ib5 n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ib5 n GLY 119 N 1.24 1.29 3.81 0.72 0.00 0.46 -5.02 105.19 107.69 1ib5 n GLY 119 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 1ib5 n GLY 119 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ib5 s HIS 120 N -3.38 2.29 -0.02 1.61 3.76 -0.82 -1.75 115.29 116.98 1ib5 s HIS 120 Ca 0.00 -0.67 0.06 0.00 -0.15 0.00 0.00 55.06 54.30 1ib5 s HIS 120 Cb 0.00 -1.96 -0.01 0.00 1.11 0.00 0.00 32.58 31.72 1ib5 s HIS 120 CO 0.00 -0.06 -0.21 0.00 -0.85 0.00 0.00 174.74 173.63 1ib5 s ALA 121 N -2.65 1.73 0.06 -1.40 0.00 -1.23 0.95 121.76 119.22 1ib5 s ALA 121 Ca 0.38 -0.88 -0.22 0.00 0.00 0.00 0.00 51.96 51.24 1ib5 s ALA 121 Cb 0.01 -0.46 -0.06 0.00 0.00 0.00 0.00 23.12 22.61 1ib5 s ALA 121 CO 0.22 0.41 0.66 0.42 0.00 0.00 0.00 175.76 177.46 1ib5 s ILE 122 N -0.42 4.71 0.04 0.00 1.01 0.26 -0.13 121.20 126.67 1ib5 s ILE 122 Ca 0.06 1.40 0.06 0.00 0.00 0.00 0.00 60.65 62.17 1ib5 s ILE 122 Cb -0.09 -4.00 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 1ib5 s ILE 122 CO -0.00 0.47 -0.17 -0.32 0.00 0.00 0.00 174.94 174.92 1ib5 s MET 123 N -0.64 1.14 -0.11 2.79 1.75 0.81 -1.33 119.30 123.71 1ib5 s MET 123 Ca 0.33 -0.81 0.02 0.00 -1.25 0.00 0.00 55.69 53.98 1ib5 s MET 123 Cb -0.20 -1.19 0.02 0.00 2.84 0.00 0.00 34.83 36.30 1ib5 s MET 123 CO 0.21 0.30 -0.14 0.42 -0.65 0.00 0.00 175.02 175.15 1ib5 s ILE 124 N -0.77 1.44 0.53 10.11 1.01 0.45 -2.04 121.20 131.92 1ib5 s ILE 124 Ca 0.04 -0.61 0.07 0.00 0.00 0.00 0.00 60.65 60.15 1ib5 s ILE 124 Cb -0.08 -1.33 0.05 0.00 0.01 0.00 0.00 42.46 41.12 1ib5 s ILE 124 CO 0.01 0.43 0.73 -1.00 0.00 0.00 0.00 174.94 175.11 1ib5 s HIS 125 N 1.02 2.17 -0.05 3.97 3.76 -0.51 0.57 115.29 126.22 1ib5 s HIS 125 Ca -0.06 -0.45 -0.09 0.00 -0.15 0.00 0.00 55.06 54.31 1ib5 s HIS 125 Cb -0.15 -2.44 -0.30 0.00 1.11 0.00 0.00 32.58 30.80 1ib5 s HIS 125 CO -0.02 -0.90 0.66 0.00 -0.85 0.00 0.00 174.74 173.64 1ib5 h ALA 126 N 0.26 0.21 -4.17 -1.40 0.00 -1.10 -3.38 119.26 109.68 1ib5 h ALA 126 Ca -0.36 -1.17 -0.23 0.00 0.00 0.00 0.00 54.91 53.14 1ib5 h ALA 126 Cb 1.28 0.46 0.06 0.00 0.00 0.00 0.00 17.79 19.60 1ib5 h ALA 126 CO 0.44 1.08 0.12 0.41 0.00 0.00 0.00 179.25 181.30 1ib5 n GLY 127 N 1.85 -0.09 0.00 0.00 0.00 0.07 -4.86 105.19 102.15 1ib5 n GLY 127 Ca -0.24 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 43.90 1ib5 n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ib5 n GLY 128 N 0.80 1.29 3.34 -0.02 0.00 -1.24 -1.09 105.19 108.27 1ib5 n GLY 128 Ca 0.09 -1.57 0.02 0.00 0.00 0.00 0.00 46.02 44.56 1ib5 n GLY 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ib5 s ASP 129 N -1.00 -1.14 -0.21 1.61 -1.08 -1.22 -2.77 116.67 110.85 1ib5 s ASP 129 Ca 0.00 1.05 0.15 0.00 -0.52 0.00 0.00 52.55 53.23 1ib5 s ASP 129 Cb 0.00 2.09 0.79 0.00 -1.46 0.00 0.00 42.92 44.35 1ib5 s ASP 129 CO 0.00 -0.22 1.71 -0.46 0.52 0.00 0.00 175.17 176.73 1ib5 n ASN 130 N 5.40 5.49 -4.06 -0.34 6.94 -0.95 -4.90 115.26 122.83 1ib5 n ASN 130 Ca -0.06 -2.81 -0.29 0.00 -0.02 0.00 0.00 54.58 51.40 1ib5 n ASN 130 Cb 0.51 -0.66 -0.04 0.00 -2.36 0.00 0.00 39.78 37.22 1ib5 n ASN 130 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1ib5 n HIS 131 N 0.74 -1.52 -3.83 -2.53 8.25 -1.26 -4.94 115.22 110.13 1ib5 n HIS 131 Ca 0.27 0.65 -0.07 0.00 -0.26 0.00 0.00 57.72 58.32 1ib5 n HIS 131 Cb 1.12 -3.38 0.01 0.00 1.12 0.00 0.00 29.99 28.86 1ib5 n HIS 131 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ib5 s SER 132 N -4.29 -0.09 -0.02 0.41 0.15 -1.26 -4.05 113.70 104.55 1ib5 s SER 132 Ca 0.05 -0.84 0.16 0.00 0.70 0.00 0.00 55.95 56.02 1ib5 s SER 132 Cb -0.02 0.72 0.47 0.00 -1.71 0.00 0.00 66.02 65.48 1ib5 s SER 132 CO 0.93 -1.40 1.39 0.47 1.20 0.00 0.00 173.24 175.83 1ib5 n ASP 133 N -1.01 3.51 -4.09 5.45 8.00 -1.26 -0.55 116.55 126.60 1ib5 n ASP 133 Ca -0.06 -2.12 -0.21 0.00 0.71 0.00 0.00 54.79 53.12 1ib5 n ASP 133 Cb 0.60 -0.37 -0.15 0.00 -0.02 0.00 0.00 41.12 41.18 1ib5 n ASP 133 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1ib5 s MET 134 N -1.21 1.00 0.00 -1.24 -1.94 -1.26 -3.34 119.30 111.31 1ib5 s MET 134 Ca 0.35 -0.49 0.29 0.00 -1.71 0.00 0.00 55.69 54.14 1ib5 s MET 134 Cb 0.20 -0.97 1.29 0.00 2.01 0.00 0.00 34.83 37.36 1ib5 s MET 134 CO 0.22 0.26 1.90 -0.35 -0.01 0.00 0.00 175.02 177.04 1ib5 n PRO 135 N 2.65 0.60 -4.96 2.03 -0.04 -1.26 -4.95 135.00 129.07 1ib5 n PRO 135 Ca -0.15 -0.16 -0.28 0.00 -0.04 0.00 0.00 63.50 62.87 1ib5 n PRO 135 Cb 0.56 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.36 1ib5 n PRO 135 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1ib5 s LYS 136 N -2.51 2.12 0.81 0.54 2.20 -1.25 -5.10 119.74 116.54 1ib5 s LYS 136 Ca 0.28 -0.69 -0.13 0.00 -0.36 0.00 0.00 55.97 55.07 1ib5 s LYS 136 Cb 0.20 -1.77 0.08 0.00 -1.51 0.00 0.00 37.83 34.82 1ib5 s LYS 136 CO 0.48 0.24 1.16 0.00 -0.36 0.00 0.00 175.35 176.87 1ib5 n ALA 137 N 3.22 -0.13 -2.24 3.13 0.00 -1.21 -3.10 120.51 120.17 1ib5 n ALA 137 Ca -0.19 -0.33 -0.16 0.00 0.00 0.00 0.00 53.44 52.76 1ib5 n ALA 137 Cb 0.53 -2.22 -0.02 0.00 0.00 0.00 0.00 19.45 17.73 1ib5 n ALA 137 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ib5 n LEU 138 N -3.10 -1.43 0.00 0.00 4.77 -1.25 -1.65 117.00 114.35 1ib5 n LEU 138 Ca 0.13 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1ib5 n LEU 138 Cb 0.50 -2.46 0.00 0.00 -2.33 0.00 0.00 43.42 39.13 1ib5 n LEU 138 CO 0.48 -0.29 0.00 0.61 -1.33 0.00 0.00 177.39 176.86 1ib5 n GLY 139 N -0.78 0.77 2.03 -0.72 0.00 0.28 -3.58 105.19 103.19 1ib5 n GLY 139 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.82 1ib5 n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ib5 n GLY 140 N -2.08 0.41 0.27 -0.02 0.00 -0.66 -2.23 105.19 100.88 1ib5 n GLY 140 Ca 0.00 -0.95 0.16 0.00 0.00 0.00 0.00 46.02 45.23 1ib5 n GLY 140 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ib5 h GLY 141 N 0.00 0.00 0.00 -0.02 0.00 -1.57 -3.33 103.07 98.15 1ib5 h GLY 141 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1ib5 h GLY 141 CO 0.04 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.19 1ib5 n GLY 142 N 0.09 2.75 3.56 4.60 0.00 -1.26 -0.75 105.19 114.17 1ib5 n GLY 142 Ca 0.01 -0.37 -0.32 0.00 0.00 0.00 0.00 46.02 45.33 1ib5 n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ib5 n ALA 143 N 8.41 -1.49 -2.73 4.61 0.00 -1.26 -4.74 120.51 123.31 1ib5 n ALA 143 Ca 0.00 -0.53 -0.36 0.00 0.00 0.00 0.00 53.44 52.55 1ib5 n ALA 143 Cb 0.00 -2.02 -0.07 0.00 0.00 0.00 0.00 19.45 17.36 1ib5 n ALA 143 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ib5 s ARG 144 N -4.04 4.22 -0.12 0.00 0.52 -1.26 -1.65 118.95 116.61 1ib5 s ARG 144 Ca 0.64 0.00 0.01 0.00 -0.52 0.00 0.00 55.73 55.85 1ib5 s ARG 144 Cb -0.24 -3.42 -0.08 0.00 0.52 0.00 0.00 34.95 31.74 1ib5 s ARG 144 CO 0.61 0.27 -0.11 1.33 0.02 0.00 0.00 175.30 177.42 1ib5 n VAL 145 N 3.52 0.69 -4.31 3.52 0.24 0.19 -4.80 118.33 117.39 1ib5 n VAL 145 Ca -0.13 -0.26 -0.22 0.00 -2.04 0.00 0.00 64.34 61.69 1ib5 n VAL 145 Cb 0.52 -0.95 -0.13 0.00 -1.47 0.00 0.00 33.84 31.81 1ib5 n VAL 145 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ib5 s ALA 146 N -2.24 1.49 0.00 2.33 0.00 -0.86 0.46 121.76 122.94 1ib5 s ALA 146 Ca -0.16 -1.07 -0.16 0.00 0.00 0.00 0.00 51.96 50.56 1ib5 s ALA 146 Cb 0.04 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 22.99 1ib5 s ALA 146 CO 0.28 0.28 0.36 0.00 0.00 0.00 0.00 175.76 176.68 1ib5 s GLY 148 N -1.55 -0.43 -0.02 0.00 0.00 -0.44 -1.60 107.32 103.27 1ib5 s GLY 148 Ca -0.11 1.69 -0.19 0.00 0.00 0.00 0.00 44.72 46.11 1ib5 s GLY 148 CO 0.02 1.61 0.54 0.14 0.00 0.00 0.00 173.10 175.41 1ib5 s VAL 149 N 0.82 4.98 -0.48 1.40 1.01 -1.26 0.90 120.40 127.76 1ib5 s VAL 149 Ca -0.04 1.12 -0.22 0.00 0.00 0.00 0.00 61.98 62.84 1ib5 s VAL 149 Cb -0.05 -3.87 0.04 0.00 0.00 0.00 0.00 36.38 32.49 1ib5 s VAL 149 CO -0.06 0.43 0.74 -0.63 0.00 0.00 0.00 175.10 175.58 1ib5 s ILE 150 N -0.21 4.70 -2.57 2.22 1.01 0.27 -4.75 121.20 121.86 1ib5 s ILE 150 Ca 0.29 0.09 0.21 0.00 0.00 0.00 0.00 60.65 61.23 1ib5 s ILE 150 Cb -0.17 -4.33 0.16 0.00 0.01 0.00 0.00 42.46 38.13 1ib5 s ILE 150 CO 0.15 -0.79 1.15 0.00 0.00 0.00 0.00 174.94 175.46