#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cii s ILE 1 N 0.00 4.26 -0.31 1.12 1.01 -1.26 -5.05 121.20 120.98 3cii s ILE 1 Ca 0.00 1.78 0.02 0.00 0.00 0.00 0.00 60.65 62.45 3cii s ILE 1 Cb 0.00 -4.08 0.09 0.00 0.01 0.00 0.00 42.46 38.48 3cii s ILE 1 CO 0.00 0.30 0.04 -1.10 0.00 0.00 0.00 174.94 174.19 3cii s GLN 2 N -1.68 1.26 0.17 2.79 -0.21 -1.26 -4.54 119.66 116.19 3cii s GLN 2 Ca 0.44 -1.44 -0.07 0.00 0.02 0.00 0.00 55.36 54.31 3cii s GLN 2 Cb -0.21 -2.68 -0.06 0.00 1.00 0.00 0.00 33.01 31.06 3cii s GLN 2 CO 0.26 -0.89 0.45 1.03 -2.12 0.00 0.00 175.29 174.02 3cii s ARG 3 N 1.24 3.71 -0.10 2.91 0.52 -1.26 -4.93 118.95 121.04 3cii s ARG 3 Ca 0.07 0.09 -0.13 0.00 -0.52 0.00 0.00 55.73 55.25 3cii s ARG 3 Cb -0.18 -2.78 -0.05 0.00 0.52 0.00 0.00 34.95 32.46 3cii s ARG 3 CO -0.14 0.41 0.30 0.99 0.02 0.00 0.00 175.30 176.89 3cii s THR 4 N -1.70 5.26 0.14 0.02 2.01 -1.26 -3.31 115.64 116.80 3cii s THR 4 Ca 0.43 0.58 -0.30 0.00 0.31 0.00 0.00 61.69 62.71 3cii s THR 4 Cb -0.12 -3.61 -0.07 0.00 0.01 0.00 0.00 72.50 68.71 3cii s THR 4 CO 0.23 0.50 0.96 -2.16 -0.69 0.00 0.00 174.62 173.46 3cii s PRO 5 N -0.37 4.73 -0.29 4.92 0.04 -1.26 -4.15 135.00 138.62 3cii s PRO 5 Ca 0.19 1.47 -0.09 0.00 0.04 0.00 0.00 61.00 62.61 3cii s PRO 5 Cb -0.14 -3.35 -0.01 0.00 0.04 0.00 0.00 34.50 31.04 3cii s PRO 5 CO 0.07 0.28 0.12 0.15 0.04 0.00 0.00 177.00 177.66 3cii s LYS 6 N -0.28 3.37 -0.22 4.56 1.02 0.28 -4.89 119.74 123.58 3cii s LYS 6 Ca 0.46 -0.68 -0.08 0.00 0.02 0.00 0.00 55.97 55.68 3cii s LYS 6 Cb -0.24 -3.48 -0.04 0.00 -0.52 0.00 0.00 37.83 33.55 3cii s LYS 6 CO 0.30 -0.37 0.09 0.42 -0.92 0.00 0.00 175.35 174.88 3cii s ILE 7 N 1.60 4.75 -0.14 2.17 1.01 -1.26 -1.68 121.20 127.64 3cii s ILE 7 Ca 0.05 -0.03 0.02 0.00 0.00 0.00 0.00 60.65 60.69 3cii s ILE 7 Cb -0.17 -3.19 0.01 0.00 0.01 0.00 0.00 42.46 39.12 3cii s ILE 7 CO 0.05 0.38 -0.21 -1.10 0.00 0.00 0.00 174.94 174.06 3cii s GLN 8 N 1.03 2.95 -0.16 2.79 -0.21 -0.47 -5.01 119.66 120.59 3cii s GLN 8 Ca 0.05 -0.83 -0.00 0.00 0.02 0.00 0.00 55.36 54.60 3cii s GLN 8 Cb -0.14 -2.41 -0.01 0.00 1.00 0.00 0.00 33.01 31.46 3cii s GLN 8 CO 0.03 -0.04 -0.13 0.08 -2.12 0.00 0.00 175.29 173.11 3cii s VAL 9 N 0.88 2.87 0.21 1.09 1.01 -1.26 -0.83 120.40 124.37 3cii s VAL 9 Ca -0.06 -0.70 -0.19 0.00 0.00 0.00 0.00 61.98 61.04 3cii s VAL 9 Cb -0.15 -2.22 0.03 0.00 0.00 0.00 0.00 36.38 34.03 3cii s VAL 9 CO -0.03 0.51 0.57 -0.72 0.00 0.00 0.00 175.10 175.42 3cii s TYR 10 N 0.77 -0.15 -0.11 5.22 1.13 0.15 -4.72 117.35 119.63 3cii s TYR 10 Ca -0.05 -0.19 -0.09 0.00 -1.41 0.00 0.00 57.07 55.32 3cii s TYR 10 Cb -0.15 0.46 -0.04 0.00 -1.10 0.00 0.00 41.96 41.12 3cii s TYR 10 CO 0.01 -0.97 0.19 -1.54 -2.51 0.00 0.00 175.55 170.73 3cii s SER 11 N -2.88 6.44 0.25 -0.18 1.04 -1.26 0.85 113.70 117.96 3cii s SER 11 Ca 0.09 0.52 -0.03 0.00 0.48 0.00 0.00 55.95 57.01 3cii s SER 11 Cb -0.02 -2.11 0.30 0.00 0.10 0.00 0.00 66.02 64.30 3cii s SER 11 CO -0.02 0.35 1.78 -0.09 0.98 0.00 0.00 173.24 176.25 3cii h ARG 12 N 5.27 0.93 -6.03 4.02 2.43 -1.42 -3.43 114.38 116.14 3cii h ARG 12 Ca -0.52 -0.21 -0.61 0.00 -0.81 0.00 0.00 59.98 57.83 3cii h ARG 12 Cb 1.21 -0.13 -0.13 0.00 -0.42 0.00 0.00 29.97 30.50 3cii h ARG 12 CO 0.62 0.83 -0.70 -1.01 -1.51 0.00 0.00 179.97 178.20 3cii s HIS 13 N -5.22 2.38 0.08 2.20 3.76 -1.26 -5.03 115.29 112.20 3cii s HIS 13 Ca -0.10 -0.44 -0.37 0.00 -0.15 0.00 0.00 55.06 54.00 3cii s HIS 13 Cb 0.15 -1.26 -0.17 0.00 1.11 0.00 0.00 32.58 32.41 3cii s HIS 13 CO 0.82 0.62 1.24 -0.35 -0.85 0.00 0.00 174.74 176.22 3cii n PRO 14 N -0.75 0.89 -1.96 8.40 -0.04 -1.26 -4.76 135.00 135.52 3cii n PRO 14 Ca -0.05 0.32 -0.25 0.00 -0.04 0.00 0.00 63.50 63.49 3cii n PRO 14 Cb 0.62 -1.90 -0.06 0.00 -0.04 0.00 0.00 33.50 32.12 3cii n PRO 14 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3cii s ALA 15 N 0.26 1.49 -0.16 0.55 0.00 -1.26 -4.93 121.76 117.72 3cii s ALA 15 Ca 0.84 -1.52 -0.10 0.00 0.00 0.00 0.00 51.96 51.18 3cii s ALA 15 Cb -1.00 -4.59 -0.05 0.00 0.00 0.00 0.00 23.12 17.48 3cii s ALA 15 CO 0.50 -5.15 0.17 -1.21 0.00 0.00 0.00 175.76 170.07 3cii s GLU 16 N 7.24 3.90 0.37 0.00 2.02 -1.26 -5.08 118.70 125.90 3cii s GLU 16 Ca 0.73 -0.12 -0.25 0.00 0.02 0.00 0.00 54.97 55.36 3cii s GLU 16 Cb -0.06 -3.32 -0.09 0.00 0.10 0.00 0.00 34.13 30.75 3cii s GLU 16 CO 0.04 0.49 1.04 -0.80 0.02 0.00 0.00 175.26 176.05 3cii s ASN 17 N -0.22 6.89 0.00 -0.19 -0.87 -1.26 -4.02 114.94 115.27 3cii s ASN 17 Ca 0.12 2.04 0.00 0.00 -1.57 0.00 0.00 52.86 53.45 3cii s ASN 17 Cb -0.12 -2.59 0.00 0.00 -0.02 0.00 0.00 41.25 38.52 3cii s ASN 17 CO 0.02 -0.40 0.00 0.61 -2.57 0.00 0.00 177.10 174.76 3cii n GLY 18 N 0.47 1.40 3.88 0.66 0.00 -1.22 -4.97 105.19 105.41 3cii n GLY 18 Ca 0.04 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 3cii n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cii s LYS 19 N 0.00 3.67 0.47 1.61 2.20 -1.26 -4.97 119.74 121.46 3cii s LYS 19 Ca 0.00 0.46 -0.24 0.00 -0.36 0.00 0.00 55.97 55.83 3cii s LYS 19 Cb 0.00 -2.31 -0.07 0.00 -1.51 0.00 0.00 37.83 33.94 3cii s LYS 19 CO 0.00 -0.22 1.34 0.45 -0.36 0.00 0.00 175.35 176.56 3cii s SER 20 N -3.70 5.80 0.23 1.43 0.15 -1.26 -4.64 113.70 111.71 3cii s SER 20 Ca 0.51 2.73 -0.19 0.00 0.70 0.00 0.00 55.95 59.69 3cii s SER 20 Cb -0.10 -2.64 0.03 0.00 -1.71 0.00 0.00 66.02 61.60 3cii s SER 20 CO 0.41 -1.21 0.61 0.21 1.20 0.00 0.00 173.24 174.47 3cii s ASN 21 N -0.83 -0.29 -0.05 5.45 3.84 -1.16 -5.00 114.94 116.90 3cii s ASN 21 Ca 0.64 -0.51 0.04 0.00 0.21 0.00 0.00 52.86 53.24 3cii s ASN 21 Cb -0.39 0.65 -0.02 0.00 -0.55 0.00 0.00 41.25 40.93 3cii s ASN 21 CO 0.49 -1.18 -0.16 -0.36 -2.79 0.00 0.00 177.10 173.10 3cii s PHE 22 N -3.89 2.65 -0.18 0.43 0.08 -1.26 -2.01 117.98 113.80 3cii s PHE 22 Ca 0.10 -0.21 -0.06 0.00 0.12 0.00 0.00 56.93 56.88 3cii s PHE 22 Cb -0.03 -1.62 -0.04 0.00 -0.57 0.00 0.00 43.02 40.77 3cii s PHE 22 CO 0.01 0.14 0.03 -1.17 -0.10 0.00 0.00 175.22 174.13 3cii s LEU 23 N -0.68 3.59 -0.05 -0.37 2.96 -0.86 -0.97 118.68 122.31 3cii s LEU 23 Ca 0.10 -0.01 0.05 0.00 -0.22 0.00 0.00 54.13 54.05 3cii s LEU 23 Cb -0.11 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.66 3cii s LEU 23 CO 0.00 0.15 -0.20 0.20 -1.32 0.00 0.00 176.35 175.19 3cii s ASN 24 N 0.48 3.51 -0.16 3.68 0.01 0.25 -2.91 114.94 119.80 3cii s ASN 24 Ca 0.01 -0.36 0.00 0.00 -0.71 0.00 0.00 52.86 51.80 3cii s ASN 24 Cb -0.13 -0.78 0.03 0.00 0.41 0.00 0.00 41.25 40.77 3cii s ASN 24 CO 0.01 0.29 -0.13 0.00 -1.51 0.00 0.00 177.10 175.77 3cii s TYR 26 N 1.47 3.38 0.10 0.00 5.04 -0.01 -0.26 117.35 127.08 3cii s TYR 26 Ca 0.04 -2.25 -0.08 0.00 -2.44 0.00 0.00 57.07 52.33 3cii s TYR 26 Cb -0.14 -2.31 -0.06 0.00 0.35 0.00 0.00 41.96 39.81 3cii s TYR 26 CO -0.10 -0.87 0.40 0.14 -1.34 0.00 0.00 175.55 173.78 3cii s VAL 27 N 1.14 5.11 0.14 3.14 -7.23 -0.83 -1.37 120.40 120.50 3cii s VAL 27 Ca -0.02 0.33 -0.12 0.00 -1.81 0.00 0.00 61.98 60.36 3cii s VAL 27 Cb -0.20 -3.63 0.01 0.00 0.56 0.00 0.00 36.38 33.11 3cii s VAL 27 CO -0.04 0.20 0.32 -0.94 -0.31 0.00 0.00 175.10 174.33 3cii s SER 28 N -1.98 -0.04 -0.68 4.85 1.04 -0.68 -1.98 113.70 114.23 3cii s SER 28 Ca 0.36 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 56.17 3cii s SER 28 Cb -0.13 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.42 3cii s SER 28 CO 0.20 -0.86 0.00 0.61 0.98 0.00 0.00 173.24 174.17 3cii n GLY 29 N -0.19 0.75 3.91 7.32 0.00 -0.02 -0.55 105.19 116.40 3cii n GLY 29 Ca -0.12 -0.14 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 3cii n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3cii s PHE 30 N -1.84 3.40 -0.08 1.61 -0.71 -1.20 -4.13 117.98 115.02 3cii s PHE 30 Ca 0.00 0.09 -0.04 0.00 -1.04 0.00 0.00 56.93 55.95 3cii s PHE 30 Cb 0.00 -1.63 -0.04 0.00 -1.21 0.00 0.00 43.02 40.14 3cii s PHE 30 CO 0.00 0.52 -0.10 1.58 -1.34 0.00 0.00 175.22 175.88 3cii n HIS 31 N -0.44 0.00 -1.76 3.49 -0.00 -1.21 0.26 115.22 115.56 3cii n HIS 31 Ca -0.07 0.00 -0.42 0.00 0.46 0.00 0.00 57.72 57.69 3cii n HIS 31 Cb 0.54 -0.30 -0.03 0.00 -0.12 0.00 0.00 29.99 30.08 3cii n HIS 31 CO 0.00 0.00 0.00 -2.14 0.46 0.00 0.00 176.34 174.66 3cii s PRO 32 N -2.15 4.15 0.30 1.57 0.02 -1.26 -4.79 135.00 132.84 3cii s PRO 32 Ca -0.11 2.54 0.11 0.00 0.02 0.00 0.00 61.00 63.55 3cii s PRO 32 Cb 0.04 -3.67 0.47 0.00 0.02 0.00 0.00 34.50 31.36 3cii s PRO 32 CO 0.15 -0.83 1.68 0.66 -0.33 0.00 0.00 177.00 178.33 3cii h SER 33 N 8.80 0.02 -0.36 2.53 4.64 -1.99 -3.40 113.55 123.79 3cii h SER 33 Ca -0.46 -0.01 -0.45 0.00 -0.47 0.00 0.00 61.79 60.41 3cii h SER 33 Cb 1.22 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.28 3cii h SER 33 CO 0.94 0.55 1.50 0.47 -0.87 0.00 0.00 176.83 179.42 3cii n ASP 34 N -3.91 3.07 -4.79 4.97 10.43 -1.26 -4.89 116.55 120.16 3cii n ASP 34 Ca -0.01 -2.71 -0.26 0.00 2.57 0.00 0.00 54.79 54.37 3cii n ASP 34 Cb 0.54 -1.57 -0.06 0.00 1.84 0.00 0.00 41.12 41.87 3cii n ASP 34 CO 0.00 0.00 0.00 -0.51 -1.07 0.00 0.00 177.20 175.62 3cii s ILE 35 N 8.90 4.44 0.01 0.53 2.07 -1.26 -4.67 121.20 131.22 3cii s ILE 35 Ca 0.64 -1.09 0.05 0.00 -1.41 0.00 0.00 60.65 58.84 3cii s ILE 35 Cb 0.04 -3.26 -0.02 0.00 0.13 0.00 0.00 42.46 39.35 3cii s ILE 35 CO 0.13 -0.10 -0.15 -1.61 -1.91 0.00 0.00 174.94 171.29 3cii s GLU 36 N -3.07 1.12 -0.00 3.50 2.02 -1.05 -5.06 118.70 116.16 3cii s GLU 36 Ca 0.31 -0.62 0.01 0.00 0.02 0.00 0.00 54.97 54.68 3cii s GLU 36 Cb -0.10 -1.11 -0.00 0.00 0.10 0.00 0.00 34.13 33.01 3cii s GLU 36 CO 0.23 0.30 -0.04 0.08 0.02 0.00 0.00 175.26 175.85 3cii s VAL 37 N -0.53 0.31 -0.05 2.63 1.01 -1.26 -2.50 120.40 120.02 3cii s VAL 37 Ca 0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 3cii s VAL 37 Cb -0.07 -0.27 0.01 0.00 0.00 0.00 0.00 36.38 36.06 3cii s VAL 37 CO 0.00 0.08 0.12 -1.81 0.00 0.00 0.00 175.10 173.49 3cii s ASP 38 N -0.11 -0.13 -0.14 3.32 1.01 -0.73 -5.01 116.67 114.88 3cii s ASP 38 Ca 0.01 0.25 -0.05 0.00 0.71 0.00 0.00 52.55 53.47 3cii s ASP 38 Cb -0.02 0.25 -0.04 0.00 1.01 0.00 0.00 42.92 44.12 3cii s ASP 38 CO -0.00 -0.05 0.04 -0.76 0.21 0.00 0.00 175.17 174.61 3cii s LEU 39 N 0.11 3.73 -0.17 1.23 1.43 -1.26 -0.77 118.68 122.96 3cii s LEU 39 Ca -0.00 0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.22 3cii s LEU 39 Cb -0.01 -1.91 0.03 0.00 0.03 0.00 0.00 46.19 44.33 3cii s LEU 39 CO -0.00 0.26 -0.16 -0.76 0.23 0.00 0.00 176.35 175.92 3cii s LEU 40 N -0.17 2.03 -0.45 1.79 1.43 0.12 -1.43 118.68 122.00 3cii s LEU 40 Ca 0.06 -0.65 -0.18 0.00 -1.03 0.00 0.00 54.13 52.33 3cii s LEU 40 Cb -0.12 -1.33 0.04 0.00 0.03 0.00 0.00 46.19 44.81 3cii s LEU 40 CO 0.02 -0.05 0.53 -0.75 0.23 0.00 0.00 176.35 176.33 3cii s LYS 41 N 1.38 3.13 -1.57 1.70 2.20 0.03 -2.17 119.74 124.44 3cii s LYS 41 Ca 0.03 -0.76 -0.04 0.00 -0.36 0.00 0.00 55.97 54.85 3cii s LYS 41 Cb -0.14 -4.02 0.01 0.00 -1.51 0.00 0.00 37.83 32.18 3cii s LYS 41 CO -0.11 -1.01 0.45 0.09 -0.36 0.00 0.00 175.35 174.41 3cii n ASN 42 N 5.89 -5.80 0.00 1.43 5.03 -1.23 -2.06 115.26 118.52 3cii n ASN 42 Ca -0.06 -0.22 0.00 0.00 0.87 0.00 0.00 54.58 55.17 3cii n ASN 42 Cb 0.47 -4.73 0.00 0.00 -1.02 0.00 0.00 39.78 34.50 3cii n ASN 42 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3cii n GLY 43 N -1.36 0.75 3.37 7.41 0.00 -1.26 -5.06 105.19 109.04 3cii n GLY 43 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 3cii n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3cii s GLU 44 N -0.53 3.44 0.18 1.61 2.12 -0.87 -5.03 118.70 119.62 3cii s GLU 44 Ca 0.00 -0.63 -0.30 0.00 0.36 0.00 0.00 54.97 54.40 3cii s GLU 44 Cb 0.00 -2.85 -0.09 0.00 0.26 0.00 0.00 34.13 31.46 3cii s GLU 44 CO 0.00 0.05 1.33 -0.98 -0.54 0.00 0.00 175.26 175.11 3cii s ARG 45 N 0.82 4.37 0.15 4.30 1.70 -1.26 -0.79 118.95 128.25 3cii s ARG 45 Ca -0.02 2.06 -0.20 0.00 -0.47 0.00 0.00 55.73 57.09 3cii s ARG 45 Cb -0.15 -3.20 -0.08 0.00 -0.57 0.00 0.00 34.95 30.95 3cii s ARG 45 CO 0.01 -0.29 0.67 0.42 -1.08 0.00 0.00 175.30 175.03 3cii s ILE 46 N 0.30 4.61 -0.08 4.99 1.01 -0.51 -4.92 121.20 126.60 3cii s ILE 46 Ca 0.58 1.31 -0.23 0.00 0.00 0.00 0.00 60.65 62.31 3cii s ILE 46 Cb -0.37 -3.92 -0.29 0.00 0.01 0.00 0.00 42.46 37.89 3cii s ILE 46 CO 0.37 0.39 0.81 -0.33 0.00 0.00 0.00 174.94 176.18 3cii h GLU 47 N 3.99 0.22 -3.11 2.79 5.08 -1.94 -3.38 114.58 118.23 3cii h GLU 47 Ca -0.48 -0.38 -0.74 0.00 -1.00 0.00 0.00 59.36 56.76 3cii h GLU 47 Cb 1.20 0.14 -0.11 0.00 0.50 0.00 0.00 28.75 30.49 3cii h GLU 47 CO 0.65 1.18 2.53 1.63 -1.00 0.00 0.00 179.01 184.00 3cii n LYS 48 N -4.21 3.97 -3.49 2.33 5.02 -1.26 -4.94 118.16 115.59 3cii n LYS 48 Ca -0.15 -3.24 -0.37 0.00 -2.02 0.00 0.00 58.31 52.53 3cii n LYS 48 Cb 0.76 -2.82 -0.07 0.00 -0.02 0.00 0.00 35.03 32.89 3cii n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3cii s VAL 49 N 0.22 5.26 -0.06 -0.18 1.01 -1.26 -4.79 120.40 120.60 3cii s VAL 49 Ca 0.50 0.66 0.00 0.00 0.00 0.00 0.00 61.98 63.15 3cii s VAL 49 Cb 0.15 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 3cii s VAL 49 CO -0.05 0.40 -0.04 -1.61 0.00 0.00 0.00 175.10 173.80 3cii s GLU 50 N 0.33 2.82 0.14 2.72 2.02 -0.95 -4.98 118.70 120.79 3cii s GLU 50 Ca 0.19 -0.52 0.11 0.00 0.02 0.00 0.00 54.97 54.77 3cii s GLU 50 Cb -0.14 -2.66 -0.04 0.00 0.10 0.00 0.00 34.13 31.39 3cii s GLU 50 CO 0.06 0.67 -0.25 -3.38 0.02 0.00 0.00 175.26 172.38 3cii s HIS 51 N -0.88 2.24 0.53 1.61 -3.43 -1.26 -2.04 115.29 112.05 3cii s HIS 51 Ca 0.14 -0.38 -0.18 0.00 -0.80 0.00 0.00 55.06 53.84 3cii s HIS 51 Cb -0.11 -1.19 -0.07 0.00 -1.43 0.00 0.00 32.58 29.78 3cii s HIS 51 CO 0.03 0.36 1.03 -1.54 -2.00 0.00 0.00 174.74 172.62 3cii s SER 52 N -2.20 6.25 0.19 7.38 1.04 -0.57 -4.98 113.70 120.82 3cii s SER 52 Ca 0.15 1.79 -0.30 0.00 0.48 0.00 0.00 55.95 58.07 3cii s SER 52 Cb -0.09 -2.54 -0.08 0.00 0.10 0.00 0.00 66.02 63.40 3cii s SER 52 CO 0.07 -0.84 1.26 -1.81 0.98 0.00 0.00 173.24 172.90 3cii s ASP 53 N -2.52 6.97 0.19 7.02 1.01 -1.26 -4.65 116.67 123.43 3cii s ASP 53 Ca 0.64 2.33 -0.32 0.00 0.71 0.00 0.00 52.55 55.90 3cii s ASP 53 Cb -0.14 -2.61 -0.12 0.00 1.01 0.00 0.00 42.92 41.06 3cii s ASP 53 CO 0.28 -0.47 1.74 -0.11 0.21 0.00 0.00 175.17 176.82 3cii n LEU 54 N 2.63 3.97 -3.99 1.23 7.94 -1.26 -4.99 117.00 122.52 3cii n LEU 54 Ca 0.06 1.05 -0.09 0.00 -1.11 0.00 0.00 56.01 55.92 3cii n LEU 54 Cb 0.44 -1.56 -0.11 0.00 0.53 0.00 0.00 43.42 42.71 3cii n LEU 54 CO 0.57 0.16 -0.36 -0.55 -1.11 0.00 0.00 177.39 176.10 3cii s SER 55 N 1.40 0.27 0.11 1.96 0.15 -1.25 -5.06 113.70 111.28 3cii s SER 55 Ca 0.76 -0.56 0.10 0.00 0.70 0.00 0.00 55.95 56.96 3cii s SER 55 Cb -0.51 0.11 -0.04 0.00 -1.71 0.00 0.00 66.02 63.87 3cii s SER 55 CO 0.33 -0.33 -0.26 0.72 1.20 0.00 0.00 173.24 174.90 3cii s PHE 56 N -1.73 2.20 0.49 3.44 -0.12 -1.26 -1.68 117.98 119.31 3cii s PHE 56 Ca -0.13 -0.39 0.01 0.00 -0.05 0.00 0.00 56.93 56.37 3cii s PHE 56 Cb -0.08 -1.22 0.09 0.00 -0.63 0.00 0.00 43.02 41.18 3cii s PHE 56 CO -0.02 0.27 0.67 0.43 -0.05 0.00 0.00 175.22 176.52 3cii n SER 57 N 1.13 1.07 0.17 1.98 7.64 -0.34 -4.89 113.62 120.38 3cii n SER 57 Ca -0.18 -1.87 0.12 0.00 1.01 0.00 0.00 58.87 57.95 3cii n SER 57 Cb 0.53 -0.42 0.34 0.00 -1.01 0.00 0.00 64.21 63.65 3cii n SER 57 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 3cii h LYS 58 N 0.00 0.00 -0.01 1.43 1.79 -2.01 -1.10 116.57 116.67 3cii h LYS 58 Ca -0.22 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.25 3cii h LYS 58 Cb 0.86 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 3cii h LYS 58 CO 0.26 0.00 0.00 -0.40 -1.08 0.00 0.00 179.45 178.23 3cii n ASP 59 N -2.87 2.08 0.00 0.86 5.75 -1.26 -4.99 116.55 116.12 3cii n ASP 59 Ca 0.06 -2.14 0.00 0.00 -0.01 0.00 0.00 54.79 52.70 3cii n ASP 59 Cb 0.98 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 41.00 3cii n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3cii n TRP 60 N -0.59 0.00 -2.42 2.11 7.02 -0.42 -5.03 117.44 118.12 3cii n TRP 60 Ca 0.02 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.11 3cii n TRP 60 Cb 0.31 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.16 3cii n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3cii s SER 61 N -3.40 7.07 0.44 -0.99 1.04 -1.26 -4.75 113.70 111.85 3cii s SER 61 Ca 0.00 2.31 -0.02 0.00 0.48 0.00 0.00 55.95 58.72 3cii s SER 61 Cb 0.00 -2.62 -0.03 0.00 0.10 0.00 0.00 66.02 63.47 3cii s SER 61 CO 0.00 -0.28 0.70 -0.36 0.98 0.00 0.00 173.24 174.27 3cii s PHE 62 N -1.24 3.46 -0.15 5.02 0.08 0.72 -1.20 117.98 124.66 3cii s PHE 62 Ca 0.48 0.54 -0.08 0.00 0.12 0.00 0.00 56.93 57.99 3cii s PHE 62 Cb -0.32 -2.21 0.05 0.00 -0.57 0.00 0.00 43.02 39.98 3cii s PHE 62 CO 0.41 -0.21 0.36 1.52 -0.10 0.00 0.00 175.22 177.20 3cii s TYR 63 N -2.59 -0.52 0.14 0.36 -0.85 -0.68 -0.84 117.35 112.37 3cii s TYR 63 Ca 0.46 1.14 0.08 0.00 -0.52 0.00 0.00 57.07 58.23 3cii s TYR 63 Cb -0.10 0.20 -0.04 0.00 0.38 0.00 0.00 41.96 42.40 3cii s TYR 63 CO 0.41 -0.31 -0.19 -0.51 -1.52 0.00 0.00 175.55 173.43 3cii s LEU 64 N 1.31 2.38 -0.06 -3.49 1.43 -0.84 -3.84 118.68 115.57 3cii s LEU 64 Ca -0.09 -0.78 0.05 0.00 -1.03 0.00 0.00 54.13 52.28 3cii s LEU 64 Cb -0.09 -0.85 -0.01 0.00 0.03 0.00 0.00 46.19 45.28 3cii s LEU 64 CO -0.11 0.00 -0.23 -0.22 0.23 0.00 0.00 176.35 176.03 3cii s LEU 65 N -2.33 2.02 -0.16 1.79 2.96 -1.26 -1.96 118.68 119.74 3cii s LEU 65 Ca 0.12 -0.47 -0.00 0.00 -0.22 0.00 0.00 54.13 53.56 3cii s LEU 65 Cb -0.08 -1.25 0.03 0.00 0.50 0.00 0.00 46.19 45.40 3cii s LEU 65 CO 0.05 0.21 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.91 3cii s TYR 66 N -0.07 1.84 0.16 5.38 1.51 0.64 -1.50 117.35 125.30 3cii s TYR 66 Ca -0.05 -1.10 0.04 0.00 -1.01 0.00 0.00 57.07 54.95 3cii s TYR 66 Cb -0.13 -1.39 -0.05 0.00 -0.11 0.00 0.00 41.96 40.28 3cii s TYR 66 CO 0.04 -0.62 -0.09 1.52 -1.11 0.00 0.00 175.55 175.28 3cii s TYR 67 N 1.59 1.32 -0.02 2.71 1.13 -0.87 -0.72 117.35 122.50 3cii s TYR 67 Ca 0.02 -0.77 -0.29 0.00 -1.41 0.00 0.00 57.07 54.62 3cii s TYR 67 Cb -0.14 -0.68 0.08 0.00 -1.10 0.00 0.00 41.96 40.12 3cii s TYR 67 CO -0.08 0.08 0.71 -0.08 -2.51 0.00 0.00 175.55 173.66 3cii s THR 68 N -3.32 0.00 0.28 -3.49 -1.32 -1.14 -2.25 115.64 104.40 3cii s THR 68 Ca 0.18 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.37 3cii s THR 68 Cb 0.03 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.92 3cii s THR 68 CO 0.02 0.00 1.14 -0.70 -2.21 0.00 0.00 174.62 172.86 3cii s GLU 69 N -1.77 4.59 0.22 7.08 2.12 -1.26 -2.02 118.70 127.66 3cii s GLU 69 Ca -0.07 1.88 -0.07 0.00 0.36 0.00 0.00 54.97 57.07 3cii s GLU 69 Cb -0.00 -3.17 0.03 0.00 0.26 0.00 0.00 34.13 31.24 3cii s GLU 69 CO 0.04 0.14 0.41 1.97 -0.54 0.00 0.00 175.26 177.27 3cii n PHE 70 N 1.17 -1.61 -3.51 5.30 -1.74 -0.85 -4.94 117.46 111.29 3cii n PHE 70 Ca -0.01 -1.11 -0.20 0.00 -0.56 0.00 0.00 57.45 55.57 3cii n PHE 70 Cb 0.44 0.48 -0.13 0.00 1.52 0.00 0.00 39.48 41.79 3cii n PHE 70 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 3cii s THR 71 N -2.53 -0.27 0.47 1.97 2.01 -1.26 -2.99 115.64 113.04 3cii s THR 71 Ca 0.11 -0.23 -0.22 0.00 0.31 0.00 0.00 61.69 61.66 3cii s THR 71 Cb -0.02 -0.72 -0.07 0.00 0.01 0.00 0.00 72.50 71.69 3cii s THR 71 CO 0.08 -0.30 1.16 -2.16 -0.69 0.00 0.00 174.62 172.71 3cii s PRO 72 N 2.28 3.70 0.21 4.92 0.04 -1.26 -4.88 135.00 140.00 3cii s PRO 72 Ca 0.06 1.74 -0.00 0.00 0.04 0.00 0.00 61.00 62.84 3cii s PRO 72 Cb -0.16 -2.34 -0.04 0.00 0.04 0.00 0.00 34.50 32.00 3cii s PRO 72 CO -0.16 -0.59 0.11 0.99 0.04 0.00 0.00 177.00 177.39 3cii s THR 73 N -1.59 0.16 0.21 1.26 2.01 -1.26 -3.40 115.64 113.04 3cii s THR 73 Ca 0.65 -1.99 -0.02 0.00 0.31 0.00 0.00 61.69 60.64 3cii s THR 73 Cb -0.28 -2.48 -0.02 0.00 0.01 0.00 0.00 72.50 69.73 3cii s THR 73 CO 0.33 -0.05 1.56 -0.33 -0.69 0.00 0.00 174.62 175.44 3cii h GLU 74 N 2.59 0.57 -0.68 4.92 5.08 -2.03 -3.22 114.58 121.81 3cii h GLU 74 Ca -0.36 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 57.69 3cii h GLU 74 Cb 1.24 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.51 3cii h GLU 74 CO 0.56 0.90 0.00 1.63 -1.00 0.00 0.00 179.01 181.10 3cii n LYS 75 N -4.01 3.35 -5.01 2.33 5.02 -1.26 -4.89 118.16 113.68 3cii n LYS 75 Ca -0.02 -2.80 -0.32 0.00 -2.02 0.00 0.00 58.31 53.14 3cii n LYS 75 Cb 0.54 -1.76 -0.16 0.00 -0.02 0.00 0.00 35.03 33.63 3cii n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3cii s ASP 76 N -0.95 3.49 -0.18 4.39 1.01 -1.22 -5.11 116.67 118.10 3cii s ASP 76 Ca 0.50 -0.46 0.01 0.00 0.71 0.00 0.00 52.55 53.31 3cii s ASP 76 Cb 0.30 -1.50 0.03 0.00 1.01 0.00 0.00 42.92 42.76 3cii s ASP 76 CO 0.28 0.16 -0.13 -1.61 0.21 0.00 0.00 175.17 174.08 3cii s GLU 77 N 0.36 2.25 0.05 8.23 2.02 -1.26 -4.48 118.70 125.87 3cii s GLU 77 Ca -0.15 -0.73 -0.02 0.00 0.02 0.00 0.00 54.97 54.08 3cii s GLU 77 Cb -0.17 -2.31 -0.04 0.00 0.10 0.00 0.00 34.13 31.70 3cii s GLU 77 CO 0.07 -0.33 0.24 0.71 0.02 0.00 0.00 175.26 175.97 3cii s TYR 78 N 1.42 3.53 -0.04 1.61 2.02 -1.26 -3.53 117.35 121.09 3cii s TYR 78 Ca 0.02 0.37 -0.21 0.00 -0.37 0.00 0.00 57.07 56.88 3cii s TYR 78 Cb -0.15 -1.85 0.04 0.00 -0.40 0.00 0.00 41.96 39.61 3cii s TYR 78 CO -0.10 0.58 0.47 0.00 -1.57 0.00 0.00 175.55 174.94 3cii s ALA 79 N -1.45 -1.22 0.12 3.71 0.00 -0.92 -1.27 121.76 120.73 3cii s ALA 79 Ca 0.33 0.81 0.04 0.00 0.00 0.00 0.00 51.96 53.14 3cii s ALA 79 Cb -0.13 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 3cii s ALA 79 CO 0.23 -0.30 0.09 0.00 0.00 0.00 0.00 175.76 175.78 3cii s ARG 81 N -2.74 -0.01 -0.19 0.00 3.00 0.05 -1.59 118.95 117.47 3cii s ARG 81 Ca 0.30 0.44 -0.01 0.00 -1.00 0.00 0.00 55.73 55.46 3cii s ARG 81 Cb -0.11 -0.36 0.00 0.00 0.00 0.00 0.00 34.95 34.49 3cii s ARG 81 CO 0.22 -0.29 -0.13 0.08 0.00 0.00 0.00 175.30 175.18 3cii s VAL 82 N 2.04 2.75 -0.18 7.11 1.01 -1.10 -1.77 120.40 130.25 3cii s VAL 82 Ca 0.02 -0.72 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 3cii s VAL 82 Cb -0.12 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 3cii s VAL 82 CO -0.04 0.49 -0.05 0.21 0.00 0.00 0.00 175.10 175.70 3cii s ASN 83 N 1.21 4.50 0.28 3.32 3.84 -1.04 -2.31 114.94 124.75 3cii s ASN 83 Ca 0.02 -0.26 -0.00 0.00 0.21 0.00 0.00 52.86 52.83 3cii s ASN 83 Cb -0.14 -1.74 -0.02 0.00 -0.55 0.00 0.00 41.25 38.79 3cii s ASN 83 CO -0.05 0.09 0.31 -2.28 -2.79 0.00 0.00 177.10 172.38 3cii s HIS 84 N 0.81 1.21 0.07 0.43 5.65 -1.26 -2.53 115.29 119.66 3cii s HIS 84 Ca -0.02 -1.36 0.26 0.00 0.25 0.00 0.00 55.06 54.19 3cii s HIS 84 Cb -0.15 -0.39 0.93 0.00 -1.18 0.00 0.00 32.58 31.80 3cii s HIS 84 CO 0.02 -0.88 1.82 -0.24 -0.65 0.00 0.00 174.74 174.81 3cii h VAL 85 N 2.30 0.40 0.04 0.89 3.04 -1.91 -3.25 116.25 117.77 3cii h VAL 85 Ca -0.29 -1.03 -0.30 0.00 -1.01 0.00 0.00 66.70 64.06 3cii h VAL 85 Cb 1.24 1.76 -0.04 0.00 -2.01 0.00 0.00 31.29 32.25 3cii h VAL 85 CO 0.42 0.17 -1.66 0.71 -1.01 0.00 0.00 177.57 176.20 3cii h THR 86 N 0.00 0.95 -2.97 3.17 1.35 -1.96 -3.46 112.91 110.00 3cii h THR 86 Ca -0.00 -2.73 -0.56 0.00 -0.55 0.00 0.00 66.41 62.56 3cii h THR 86 Cb 0.75 2.54 -0.04 0.00 -1.73 0.00 0.00 68.15 69.67 3cii h THR 86 CO 0.02 0.66 0.85 -0.76 -0.25 0.00 0.00 175.52 176.04 3cii s LEU 87 N -6.47 4.20 0.29 3.87 1.43 -1.23 -4.89 118.68 115.88 3cii s LEU 87 Ca -0.08 1.70 0.25 0.00 -1.03 0.00 0.00 54.13 54.97 3cii s LEU 87 Cb 0.08 -3.54 1.03 0.00 0.03 0.00 0.00 46.19 43.79 3cii s LEU 87 CO 0.82 -0.71 1.74 0.77 0.23 0.00 0.00 176.35 179.20 3cii h SER 88 N 7.97 0.00 -5.00 2.29 4.64 -1.88 -3.43 113.55 118.14 3cii h SER 88 Ca -0.28 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.97 3cii h SER 88 Cb 1.11 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.01 3cii h SER 88 CO 0.95 0.00 0.05 0.00 -0.87 0.00 0.00 176.83 176.96 3cii s GLN 89 N -3.36 0.95 0.69 4.77 -2.07 -1.26 -5.16 119.66 114.22 3cii s GLN 89 Ca 0.04 0.10 -0.17 0.00 -1.82 0.00 0.00 55.36 53.51 3cii s GLN 89 Cb 0.09 0.44 -0.04 0.00 -1.09 0.00 0.00 33.01 32.41 3cii s GLN 89 CO 0.40 -0.29 0.61 -0.35 -1.32 0.00 0.00 175.29 174.34 3cii n PRO 90 N 0.97 0.39 -4.01 9.60 -0.04 -1.26 -4.96 135.00 135.69 3cii n PRO 90 Ca -0.20 0.17 -0.31 0.00 -0.04 0.00 0.00 63.50 63.12 3cii n PRO 90 Cb 0.57 -1.88 -0.15 0.00 -0.04 0.00 0.00 33.50 32.00 3cii n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3cii s LYS 91 N -2.73 1.60 -0.47 0.54 2.20 -0.98 -4.99 119.74 114.91 3cii s LYS 91 Ca 0.68 -1.66 -0.18 0.00 -0.36 0.00 0.00 55.97 54.44 3cii s LYS 91 Cb -0.37 -3.03 0.05 0.00 -1.51 0.00 0.00 37.83 32.98 3cii s LYS 91 CO 0.56 -0.84 0.51 0.42 -0.36 0.00 0.00 175.35 175.64 3cii s ILE 92 N 1.02 5.02 -0.26 5.43 1.01 -1.26 -2.72 121.20 129.43 3cii s ILE 92 Ca 0.06 -0.54 -0.09 0.00 0.00 0.00 0.00 60.65 60.07 3cii s ILE 92 Cb -0.19 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.07 3cii s ILE 92 CO -0.08 -0.62 0.12 0.54 0.00 0.00 0.00 174.94 174.90 3cii s VAL 93 N 2.26 4.76 0.48 2.92 0.11 -0.62 -4.98 120.40 125.34 3cii s VAL 93 Ca 0.12 -0.02 -0.18 0.00 -2.93 0.00 0.00 61.98 58.97 3cii s VAL 93 Cb -0.19 -3.25 -0.09 0.00 -1.53 0.00 0.00 36.38 31.32 3cii s VAL 93 CO 0.12 0.30 0.97 -1.59 -3.33 0.00 0.00 175.10 171.57 3cii s LYS 94 N 1.65 4.05 -0.59 1.54 -2.85 -1.26 -2.23 119.74 120.05 3cii s LYS 94 Ca 0.07 1.01 -0.21 0.00 -1.00 0.00 0.00 55.97 55.84 3cii s LYS 94 Cb -0.15 -2.15 0.07 0.00 -2.06 0.00 0.00 37.83 33.53 3cii s LYS 94 CO 0.07 -0.18 0.82 -0.46 0.10 0.00 0.00 175.35 175.70 3cii s TRP 95 N -2.46 2.86 -0.17 1.78 -0.00 -0.39 -4.88 118.94 115.67 3cii s TRP 95 Ca 0.60 -0.55 -0.23 0.00 -0.00 0.00 0.00 56.10 55.92 3cii s TRP 95 Cb -0.10 -4.02 -0.02 0.00 -0.00 0.00 0.00 33.47 29.33 3cii s TRP 95 CO 0.25 -1.38 0.72 0.34 -0.00 0.00 0.00 176.95 176.88 3cii s ASP 96 N 3.30 6.84 0.31 5.86 2.15 -1.26 -4.67 116.67 129.20 3cii s ASP 96 Ca 0.19 1.02 0.17 0.00 0.43 0.00 0.00 52.55 54.37 3cii s ASP 96 Cb -0.18 -2.40 0.94 0.00 -0.30 0.00 0.00 42.92 40.98 3cii s ASP 96 CO 0.11 -0.30 1.49 -2.11 -0.17 0.00 0.00 175.17 174.19 3cii n ARG 97 N 4.94 0.11 -0.67 4.34 1.85 -1.26 -0.79 116.66 125.18 3cii n ARG 97 Ca 0.01 0.60 0.09 0.00 -1.00 0.00 0.00 57.85 57.55 3cii n ARG 97 Cb 0.50 -2.00 0.37 0.00 -1.05 0.00 0.00 32.46 30.28 3cii n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3cii n ASP 98 N -2.14 4.99 0.00 2.89 8.00 -1.26 -4.81 116.55 124.22 3cii n ASP 98 Ca -0.01 -2.53 0.00 0.00 0.71 0.00 0.00 54.79 52.95 3cii n ASP 98 Cb 0.15 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.64 3cii n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04