#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cpl s GLN 2 N 0.00 1.51 0.04 0.38 -0.21 -1.26 -4.22 119.66 115.90 3cpl s GLN 2 Ca 0.00 -0.43 0.05 0.00 0.02 0.00 0.00 55.36 55.00 3cpl s GLN 2 Cb 0.00 -1.30 -0.02 0.00 1.00 0.00 0.00 33.01 32.69 3cpl s GLN 2 CO 0.00 0.11 -0.14 0.15 -2.12 0.00 0.00 175.29 173.28 3cpl s LYS 3 N 0.38 0.93 -0.16 2.91 1.02 -0.64 -4.94 119.74 119.24 3cpl s LYS 3 Ca -0.09 -0.79 -0.27 0.00 0.02 0.00 0.00 55.97 54.84 3cpl s LYS 3 Cb -0.13 -0.94 -0.01 0.00 -0.52 0.00 0.00 37.83 36.23 3cpl s LYS 3 CO 0.02 0.23 0.91 0.99 -0.92 0.00 0.00 175.35 176.58 3cpl s THR 4 N -0.91 4.83 0.07 2.17 2.01 -1.25 -3.16 115.64 119.40 3cpl s THR 4 Ca 0.01 1.80 -0.36 0.00 0.31 0.00 0.00 61.69 63.45 3cpl s THR 4 Cb -0.08 -4.21 -0.15 0.00 0.01 0.00 0.00 72.50 68.07 3cpl s THR 4 CO 0.01 -0.00 1.52 -2.65 -0.69 0.00 0.00 174.62 172.81 3cpl n PRO 5 N 5.28 1.66 -3.43 4.92 -0.02 -1.26 -4.56 135.00 137.57 3cpl n PRO 5 Ca 0.06 0.60 -0.37 0.00 -2.02 0.00 0.00 63.50 61.77 3cpl n PRO 5 Cb 0.48 -2.32 -0.06 0.00 -0.02 0.00 0.00 33.50 31.59 3cpl n PRO 5 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3cpl s GLN 6 N 1.24 3.98 -0.06 -0.52 -1.52 -0.16 -4.92 119.66 117.71 3cpl s GLN 6 Ca 0.84 0.48 0.03 0.00 -1.95 0.00 0.00 55.36 54.76 3cpl s GLN 6 Cb -0.83 -3.17 0.00 0.00 -0.22 0.00 0.00 33.01 28.80 3cpl s GLN 6 CO 0.45 0.64 -0.15 0.42 -0.25 0.00 0.00 175.29 176.40 3cpl s ILE 7 N -1.17 1.34 -0.06 1.08 1.01 -1.26 -1.89 121.20 120.25 3cpl s ILE 7 Ca 0.28 -0.63 0.05 0.00 0.00 0.00 0.00 60.65 60.34 3cpl s ILE 7 Cb -0.17 -1.18 -0.00 0.00 0.01 0.00 0.00 42.46 41.12 3cpl s ILE 7 CO 0.16 0.39 -0.20 -1.10 0.00 0.00 0.00 174.94 174.19 3cpl s GLN 8 N 0.33 2.22 -0.09 2.79 -0.21 -0.21 -4.97 119.66 119.52 3cpl s GLN 8 Ca -0.10 -0.73 0.02 0.00 0.02 0.00 0.00 55.36 54.57 3cpl s GLN 8 Cb -0.14 -1.85 0.01 0.00 1.00 0.00 0.00 33.01 32.03 3cpl s GLN 8 CO 0.03 0.27 -0.14 0.08 -2.12 0.00 0.00 175.29 173.41 3cpl s VAL 9 N 0.06 1.36 -0.22 1.09 1.01 -1.26 -0.10 120.40 122.35 3cpl s VAL 9 Ca -0.07 -0.59 -0.29 0.00 0.00 0.00 0.00 61.98 61.03 3cpl s VAL 9 Cb -0.14 -1.24 0.15 0.00 0.00 0.00 0.00 36.38 35.16 3cpl s VAL 9 CO 0.04 0.41 1.15 -0.72 0.00 0.00 0.00 175.10 175.98 3cpl s TYR 10 N 0.77 -0.24 0.60 5.22 1.13 -0.70 -4.62 117.35 119.52 3cpl s TYR 10 Ca -0.12 0.43 -0.15 0.00 -1.41 0.00 0.00 57.07 55.82 3cpl s TYR 10 Cb -0.16 0.46 -0.04 0.00 -1.10 0.00 0.00 41.96 41.13 3cpl s TYR 10 CO 0.02 -0.21 1.05 -1.54 -2.51 0.00 0.00 175.55 172.36 3cpl s SER 11 N -0.97 5.85 0.13 -0.18 1.04 -1.26 0.19 113.70 118.51 3cpl s SER 11 Ca 0.03 1.73 -0.10 0.00 0.48 0.00 0.00 55.95 58.09 3cpl s SER 11 Cb -0.01 -2.52 -0.07 0.00 0.10 0.00 0.00 66.02 63.52 3cpl s SER 11 CO -0.03 -1.12 1.39 -0.09 0.98 0.00 0.00 173.24 174.38 3cpl h ARG 12 N 0.29 0.77 -6.09 4.02 2.43 -1.12 -3.45 114.38 111.22 3cpl h ARG 12 Ca -0.46 -0.54 -0.61 0.00 -0.81 0.00 0.00 59.98 57.56 3cpl h ARG 12 Cb 1.21 0.08 -0.13 0.00 -0.42 0.00 0.00 29.97 30.72 3cpl h ARG 12 CO 0.58 1.16 -0.71 -1.01 -1.51 0.00 0.00 179.97 178.48 3cpl s HIS 13 N -3.95 2.39 0.25 2.20 3.76 -1.26 -5.04 115.29 113.63 3cpl s HIS 13 Ca -0.10 -0.39 -0.31 0.00 -0.15 0.00 0.00 55.06 54.11 3cpl s HIS 13 Cb 0.10 -1.19 -0.12 0.00 1.11 0.00 0.00 32.58 32.48 3cpl s HIS 13 CO 0.88 0.64 1.68 -2.30 -0.85 0.00 0.00 174.74 174.79 3cpl n PRO 14 N -0.74 2.77 -2.31 8.40 -0.02 -1.26 -4.92 135.00 136.92 3cpl n PRO 14 Ca -0.05 0.99 -0.38 0.00 -2.02 0.00 0.00 63.50 62.04 3cpl n PRO 14 Cb 0.61 -2.82 -0.02 0.00 -0.02 0.00 0.00 33.50 31.25 3cpl n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3cpl s PRO 15 N 0.46 4.14 -0.07 0.52 0.04 -1.26 -5.06 135.00 133.77 3cpl s PRO 15 Ca 0.70 1.84 0.01 0.00 0.04 0.00 0.00 61.00 63.59 3cpl s PRO 15 Cb -0.50 -2.75 0.02 0.00 0.04 0.00 0.00 34.50 31.32 3cpl s PRO 15 CO 0.39 -0.24 -0.07 -2.00 0.04 0.00 0.00 177.00 175.12 3cpl s GLU 16 N -2.19 1.22 0.20 4.56 2.12 -1.26 -5.10 118.70 118.26 3cpl s GLU 16 Ca 0.55 -0.20 -0.32 0.00 0.36 0.00 0.00 54.97 55.36 3cpl s GLU 16 Cb -0.31 -1.20 -0.14 0.00 0.26 0.00 0.00 34.13 32.75 3cpl s GLU 16 CO 0.39 -0.12 1.50 0.09 -0.54 0.00 0.00 175.26 176.58 3cpl n ASN 17 N 4.34 2.98 0.00 -1.70 5.03 -1.26 -1.02 115.26 123.63 3cpl n ASN 17 Ca -0.19 1.11 0.00 0.00 0.87 0.00 0.00 54.58 56.37 3cpl n ASN 17 Cb 0.51 -1.44 0.00 0.00 -1.02 0.00 0.00 39.78 37.83 3cpl n ASN 17 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3cpl n GLY 18 N 2.79 2.89 3.62 7.41 0.00 -0.21 -4.97 105.19 116.72 3cpl n GLY 18 Ca 0.14 -0.12 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3cpl n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cpl s LYS 19 N 0.00 3.95 0.71 1.61 2.20 -0.19 -4.90 119.74 123.11 3cpl s LYS 19 Ca 0.00 0.76 -0.16 0.00 -0.36 0.00 0.00 55.97 56.20 3cpl s LYS 19 Cb 0.00 -3.76 -0.05 0.00 -1.51 0.00 0.00 37.83 32.51 3cpl s LYS 19 CO 0.00 -0.87 0.45 -0.35 -0.36 0.00 0.00 175.35 174.22 3cpl n PRO 20 N 6.68 0.29 -3.82 4.03 -0.04 -1.26 -4.28 135.00 136.60 3cpl n PRO 20 Ca 0.08 0.13 -0.06 0.00 -0.04 0.00 0.00 63.50 63.61 3cpl n PRO 20 Cb 0.48 -1.74 -0.00 0.00 -0.04 0.00 0.00 33.50 32.19 3cpl n PRO 20 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3cpl s ASN 21 N -1.41 -0.13 -0.08 3.54 3.84 0.05 -4.98 114.94 115.77 3cpl s ASN 21 Ca 0.64 -0.71 0.03 0.00 0.21 0.00 0.00 52.86 53.03 3cpl s ASN 21 Cb -0.36 0.67 -0.02 0.00 -0.55 0.00 0.00 41.25 40.99 3cpl s ASN 21 CO 0.59 -1.28 -0.18 -0.63 -2.79 0.00 0.00 177.10 172.82 3cpl s ILE 22 N -3.07 2.70 -0.15 -5.21 1.09 -1.26 -1.17 121.20 114.14 3cpl s ILE 22 Ca 0.14 -0.82 -0.05 0.00 -1.10 0.00 0.00 60.65 58.82 3cpl s ILE 22 Cb -0.04 -2.06 -0.04 0.00 -1.06 0.00 0.00 42.46 39.26 3cpl s ILE 22 CO 0.07 0.56 0.03 -0.22 -0.10 0.00 0.00 174.94 175.28 3cpl s LEU 23 N -0.16 3.68 -0.10 2.97 2.96 0.16 -0.43 118.68 127.77 3cpl s LEU 23 Ca -0.02 0.08 -0.03 0.00 -0.22 0.00 0.00 54.13 53.94 3cpl s LEU 23 Cb -0.14 -1.90 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 3cpl s LEU 23 CO 0.04 0.24 0.01 0.20 -1.32 0.00 0.00 176.35 175.52 3cpl s ASN 24 N -0.04 5.29 -0.25 3.68 0.01 0.13 -2.10 114.94 121.66 3cpl s ASN 24 Ca 0.05 0.13 -0.00 0.00 -0.71 0.00 0.00 52.86 52.32 3cpl s ASN 24 Cb -0.12 -1.58 0.03 0.00 0.41 0.00 0.00 41.25 39.99 3cpl s ASN 24 CO 0.01 0.34 -0.08 0.00 -1.51 0.00 0.00 177.10 175.87 3cpl s TYR 26 N 1.27 2.91 -0.06 0.00 5.04 0.86 -0.68 117.35 126.68 3cpl s TYR 26 Ca -0.02 -1.34 0.04 0.00 -2.44 0.00 0.00 57.07 53.31 3cpl s TYR 26 Cb -0.17 -2.02 -0.00 0.00 0.35 0.00 0.00 41.96 40.11 3cpl s TYR 26 CO -0.05 -0.69 -0.20 0.08 -1.34 0.00 0.00 175.55 173.35 3cpl s VAL 27 N 1.37 1.69 0.19 3.14 1.01 -0.64 -1.04 120.40 126.12 3cpl s VAL 27 Ca 0.04 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.12 3cpl s VAL 27 Cb -0.14 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 3cpl s VAL 27 CO -0.07 0.48 0.26 0.42 0.00 0.00 0.00 175.10 176.19 3cpl s THR 28 N 0.15 0.04 -1.51 3.92 -4.23 -0.79 -0.84 115.64 112.37 3cpl s THR 28 Ca -0.09 -1.63 -0.05 0.00 -1.18 0.00 0.00 61.69 58.74 3cpl s THR 28 Cb -0.14 -2.14 0.02 0.00 1.34 0.00 0.00 72.50 71.57 3cpl s THR 28 CO 0.04 -0.16 0.55 0.00 -0.54 0.00 0.00 174.62 174.51 3cpl n GLN 29 N -0.26 -4.45 -4.19 3.99 1.13 -0.93 -0.99 117.38 111.68 3cpl n GLN 29 Ca -0.03 0.84 -0.24 0.00 -1.94 0.00 0.00 57.00 55.62 3cpl n GLN 29 Cb 0.64 -5.66 -0.06 0.00 0.11 0.00 0.00 30.24 25.26 3cpl n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 3cpl s PHE 30 N -3.12 2.92 -0.28 1.08 -0.12 -1.08 -3.82 117.98 113.56 3cpl s PHE 30 Ca 0.30 -0.14 -0.21 0.00 -0.05 0.00 0.00 56.93 56.83 3cpl s PHE 30 Cb -0.14 -1.35 0.08 0.00 -0.63 0.00 0.00 43.02 40.98 3cpl s PHE 30 CO 0.37 0.55 0.75 -1.58 -0.05 0.00 0.00 175.22 175.25 3cpl s HIS 31 N -2.00 -0.85 0.93 3.49 2.46 -1.19 -0.62 115.29 117.51 3cpl s HIS 31 Ca 0.30 1.90 -0.13 0.00 0.47 0.00 0.00 55.06 57.60 3cpl s HIS 31 Cb -0.08 0.41 0.15 0.00 -0.13 0.00 0.00 32.58 32.93 3cpl s HIS 31 CO 0.21 -0.42 1.16 -1.25 -2.47 0.00 0.00 174.74 171.98 3cpl s PRO 32 N 0.85 0.99 0.53 2.88 0.04 -1.26 -1.62 135.00 137.41 3cpl s PRO 32 Ca -0.04 0.14 0.32 0.00 0.04 0.00 0.00 61.00 61.47 3cpl s PRO 32 Cb -0.05 -1.83 1.25 0.00 0.04 0.00 0.00 34.50 33.90 3cpl s PRO 32 CO -0.08 -2.27 1.94 -1.00 0.04 0.00 0.00 177.00 175.63 3cpl h PRO 33 N -1.55 0.00 -6.34 0.56 0.13 -1.99 -3.42 132.00 119.39 3cpl h PRO 33 Ca -0.49 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.05 3cpl h PRO 33 Cb 1.32 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.47 3cpl h PRO 33 CO 0.57 0.00 1.07 0.72 -0.23 0.00 0.00 178.00 180.13 3cpl n HIS 34 N -3.07 2.36 -3.59 1.56 8.25 -1.26 -4.95 115.22 114.53 3cpl n HIS 34 Ca 0.01 -0.01 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 3cpl n HIS 34 Cb 0.33 -2.67 -0.07 0.00 1.12 0.00 0.00 29.99 28.70 3cpl n HIS 34 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3cpl s ILE 35 N 3.51 0.02 -0.11 1.59 2.07 -1.26 -4.66 121.20 122.35 3cpl s ILE 35 Ca 0.89 -0.13 0.02 0.00 -1.41 0.00 0.00 60.65 60.02 3cpl s ILE 35 Cb -0.65 -0.89 0.01 0.00 0.13 0.00 0.00 42.46 41.07 3cpl s ILE 35 CO 0.47 -0.07 -0.18 -0.70 -1.91 0.00 0.00 174.94 172.55 3cpl s GLU 36 N -1.19 2.56 -0.17 3.50 2.12 -0.94 -5.02 118.70 119.56 3cpl s GLU 36 Ca -0.11 -0.69 0.01 0.00 0.36 0.00 0.00 54.97 54.53 3cpl s GLU 36 Cb -0.02 -2.09 0.02 0.00 0.26 0.00 0.00 34.13 32.30 3cpl s GLU 36 CO 0.08 -0.01 -0.19 0.42 -0.54 0.00 0.00 175.26 175.02 3cpl s ILE 37 N 0.82 1.96 0.20 -3.70 1.01 -1.26 -0.71 121.20 119.51 3cpl s ILE 37 Ca -0.09 -0.88 0.06 0.00 0.00 0.00 0.00 60.65 59.74 3cpl s ILE 37 Cb -0.16 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 3cpl s ILE 37 CO 0.00 0.52 0.12 -1.10 0.00 0.00 0.00 174.94 174.49 3cpl s GLN 38 N 1.24 2.78 -0.04 2.79 -0.21 0.18 -4.98 119.66 121.43 3cpl s GLN 38 Ca 0.03 -1.00 0.04 0.00 0.02 0.00 0.00 55.36 54.44 3cpl s GLN 38 Cb -0.13 -2.54 -0.00 0.00 1.00 0.00 0.00 33.01 31.34 3cpl s GLN 38 CO -0.11 0.45 -0.14 -1.64 -2.12 0.00 0.00 175.29 171.73 3cpl s MET 39 N -3.33 1.51 -0.02 2.91 -1.94 -1.26 -0.50 119.30 116.66 3cpl s MET 39 Ca 0.31 -0.50 0.05 0.00 -1.71 0.00 0.00 55.69 53.84 3cpl s MET 39 Cb -0.09 -1.33 -0.03 0.00 2.01 0.00 0.00 34.83 35.39 3cpl s MET 39 CO 0.23 0.19 -0.16 -0.51 -0.01 0.00 0.00 175.02 174.76 3cpl s LEU 40 N 0.12 2.66 -0.22 -0.03 1.43 0.31 -0.68 118.68 122.27 3cpl s LEU 40 Ca -0.04 -0.27 -0.04 0.00 -1.03 0.00 0.00 54.13 52.75 3cpl s LEU 40 Cb -0.11 -1.54 -0.01 0.00 0.03 0.00 0.00 46.19 44.56 3cpl s LEU 40 CO 0.02 0.32 -0.05 -0.75 0.23 0.00 0.00 176.35 176.12 3cpl s LYS 41 N -0.91 3.38 -0.53 1.70 2.20 -0.12 -1.15 119.74 124.30 3cpl s LYS 41 Ca 0.12 -0.63 -0.03 0.00 -0.36 0.00 0.00 55.97 55.08 3cpl s LYS 41 Cb -0.11 -2.99 0.00 0.00 -1.51 0.00 0.00 37.83 33.23 3cpl s LYS 41 CO 0.02 -0.18 0.37 0.09 -0.36 0.00 0.00 175.35 175.29 3cpl n ASN 42 N 4.73 -2.82 -1.33 1.43 3.02 0.51 -0.69 115.26 120.11 3cpl n ASN 42 Ca -0.18 -0.62 -0.16 0.00 -0.03 0.00 0.00 54.58 53.58 3cpl n ASN 42 Cb 0.51 -0.96 -0.07 0.00 -0.61 0.00 0.00 39.78 38.65 3cpl n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cpl n GLY 43 N -1.25 1.55 3.22 7.41 0.00 -1.26 -4.94 105.19 109.91 3cpl n GLY 43 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 3cpl n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3cpl s LYS 44 N -3.35 3.10 0.16 1.61 2.20 0.13 -5.10 119.74 118.49 3cpl s LYS 44 Ca 0.00 -0.83 -0.34 0.00 -0.36 0.00 0.00 55.97 54.45 3cpl s LYS 44 Cb 0.00 -2.45 -0.15 0.00 -1.51 0.00 0.00 37.83 33.72 3cpl s LYS 44 CO 0.00 0.07 1.31 1.17 -0.36 0.00 0.00 175.35 177.54 3cpl n LYS 45 N 3.86 1.45 -3.30 4.03 4.81 -1.26 -0.94 118.16 126.81 3cpl n LYS 45 Ca -0.19 0.52 -0.39 0.00 -0.87 0.00 0.00 58.31 57.38 3cpl n LYS 45 Cb 0.52 -2.12 -0.07 0.00 0.02 0.00 0.00 35.03 33.37 3cpl n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3cpl s ILE 46 N 0.17 5.13 0.85 3.15 1.01 0.14 -4.82 121.20 126.83 3cpl s ILE 46 Ca 0.76 0.84 -0.08 0.00 0.00 0.00 0.00 60.65 62.17 3cpl s ILE 46 Cb -0.82 -3.80 0.17 0.00 0.01 0.00 0.00 42.46 38.03 3cpl s ILE 46 CO 0.48 0.19 1.16 -2.16 0.00 0.00 0.00 174.94 174.61 3cpl s PRO 47 N 1.66 1.08 -0.60 2.79 0.04 -1.26 -4.37 135.00 134.34 3cpl s PRO 47 Ca 0.21 -0.85 -0.23 0.00 0.04 0.00 0.00 61.00 60.18 3cpl s PRO 47 Cb -0.15 -2.10 0.03 0.00 0.04 0.00 0.00 34.50 32.32 3cpl s PRO 47 CO 0.09 -1.98 0.64 0.36 0.04 0.00 0.00 177.00 176.16 3cpl n LYS 48 N -3.31 -1.79 -4.38 4.56 2.85 -1.26 -4.99 118.16 109.84 3cpl n LYS 48 Ca 0.16 1.21 -0.33 0.00 -1.05 0.00 0.00 58.31 58.30 3cpl n LYS 48 Cb 0.60 -2.41 -0.16 0.00 -0.65 0.00 0.00 35.03 32.41 3cpl n LYS 48 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3cpl s VAL 49 N -2.14 2.38 0.17 0.58 1.01 -1.26 -4.74 120.40 116.40 3cpl s VAL 49 Ca 0.22 -0.85 -0.27 0.00 0.00 0.00 0.00 61.98 61.08 3cpl s VAL 49 Cb -0.03 -2.00 -0.08 0.00 0.00 0.00 0.00 36.38 34.28 3cpl s VAL 49 CO 0.88 0.52 0.82 -0.70 0.00 0.00 0.00 175.10 176.62 3cpl s GLU 50 N 1.03 4.63 -0.04 2.72 2.12 0.96 -4.89 118.70 125.23 3cpl s GLU 50 Ca -0.01 1.24 0.03 0.00 0.36 0.00 0.00 54.97 56.58 3cpl s GLU 50 Cb -0.15 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 30.93 3cpl s GLU 50 CO -0.05 0.52 -0.10 -1.64 -0.54 0.00 0.00 175.26 173.44 3cpl s MET 51 N -0.99 2.56 0.85 4.30 -1.94 -1.26 -0.63 119.30 122.19 3cpl s MET 51 Ca 0.38 -0.68 -0.13 0.00 -1.71 0.00 0.00 55.69 53.55 3cpl s MET 51 Cb -0.24 -2.46 0.11 0.00 2.01 0.00 0.00 34.83 34.25 3cpl s MET 51 CO 0.27 0.63 1.21 -1.54 -0.01 0.00 0.00 175.02 175.58 3cpl s SER 52 N -0.98 4.10 0.59 3.03 1.04 -0.41 -5.00 113.70 116.07 3cpl s SER 52 Ca 0.13 0.66 -0.15 0.00 0.48 0.00 0.00 55.95 57.08 3cpl s SER 52 Cb -0.11 -1.05 -0.04 0.00 0.10 0.00 0.00 66.02 64.93 3cpl s SER 52 CO 0.03 -2.15 1.04 -1.81 0.98 0.00 0.00 173.24 171.33 3cpl s ASP 53 N -4.62 5.90 0.26 7.02 1.01 -1.26 -4.81 116.67 120.16 3cpl s ASP 53 Ca 0.65 1.72 -0.19 0.00 0.71 0.00 0.00 52.55 55.44 3cpl s ASP 53 Cb -0.09 -2.52 -0.09 0.00 1.01 0.00 0.00 42.92 41.23 3cpl s ASP 53 CO 0.50 -1.09 0.76 -0.32 0.21 0.00 0.00 175.17 175.23 3cpl s MET 54 N -4.27 4.23 0.12 8.23 1.75 -1.26 -4.82 119.30 123.29 3cpl s MET 54 Ca 0.61 0.88 0.03 0.00 -1.25 0.00 0.00 55.69 55.97 3cpl s MET 54 Cb -0.14 -2.74 -0.04 0.00 2.84 0.00 0.00 34.83 34.74 3cpl s MET 54 CO 0.39 0.31 -0.09 -1.12 -0.65 0.00 0.00 175.02 173.87 3cpl s SER 55 N -1.81 1.52 0.22 1.11 0.01 -1.17 -5.04 113.70 108.54 3cpl s SER 55 Ca 0.47 -0.99 0.09 0.00 1.31 0.00 0.00 55.95 56.82 3cpl s SER 55 Cb -0.15 0.03 -0.05 0.00 0.21 0.00 0.00 66.02 66.06 3cpl s SER 55 CO 0.20 -0.38 -0.16 0.72 0.41 0.00 0.00 173.24 174.03 3cpl s PHE 56 N -3.36 1.87 0.46 2.43 -0.12 -1.26 -1.34 117.98 116.66 3cpl s PHE 56 Ca 0.14 -0.50 0.07 0.00 -0.05 0.00 0.00 56.93 56.59 3cpl s PHE 56 Cb 0.03 -0.86 0.07 0.00 -0.63 0.00 0.00 43.02 41.63 3cpl s PHE 56 CO -0.02 0.44 0.57 -1.13 -0.05 0.00 0.00 175.22 175.03 3cpl n SER 57 N -0.35 1.91 0.19 1.98 3.41 0.63 -4.94 113.62 116.43 3cpl n SER 57 Ca -0.08 -2.33 0.14 0.00 -0.26 0.00 0.00 58.87 56.34 3cpl n SER 57 Cb 0.60 -0.26 0.65 0.00 -0.26 0.00 0.00 64.21 64.93 3cpl n SER 57 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3cpl h LYS 58 N 0.00 0.00 -0.63 4.33 1.57 -2.02 0.45 116.57 120.27 3cpl h LYS 58 Ca -0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 3cpl h LYS 58 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.33 3cpl h LYS 58 CO 0.35 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.83 3cpl n ASP 59 N -2.45 2.87 0.00 0.86 5.75 -1.26 -4.90 116.55 117.43 3cpl n ASP 59 Ca -0.00 -2.29 0.00 0.00 -0.01 0.00 0.00 54.79 52.49 3cpl n ASP 59 Cb 0.14 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 3cpl n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 3cpl n TRP 60 N 0.42 0.00 -2.53 2.11 7.02 0.15 -4.99 117.44 119.62 3cpl n TRP 60 Ca 0.13 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.29 3cpl n TRP 60 Cb 0.57 -0.33 -0.04 0.00 -2.42 0.00 0.00 31.31 29.09 3cpl n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3cpl s SER 61 N -3.28 6.62 0.23 -0.99 1.04 -1.26 -4.64 113.70 111.42 3cpl s SER 61 Ca 0.00 1.68 -0.02 0.00 0.48 0.00 0.00 55.95 58.09 3cpl s SER 61 Cb 0.00 -2.53 -0.05 0.00 0.10 0.00 0.00 66.02 63.55 3cpl s SER 61 CO 0.00 -0.59 0.45 -0.36 0.98 0.00 0.00 173.24 173.72 3cpl s PHE 62 N -2.37 3.48 0.05 5.02 0.40 0.20 -0.27 117.98 124.49 3cpl s PHE 62 Ca 0.62 0.45 -0.01 0.00 -0.60 0.00 0.00 56.93 57.38 3cpl s PHE 62 Cb -0.11 -1.94 -0.04 0.00 0.51 0.00 0.00 43.02 41.44 3cpl s PHE 62 CO 0.24 0.31 -0.02 1.52 0.70 0.00 0.00 175.22 177.96 3cpl s TYR 63 N -1.94 0.47 -0.05 0.36 1.13 -0.45 -2.20 117.35 114.67 3cpl s TYR 63 Ca 0.40 -0.96 -0.30 0.00 -1.41 0.00 0.00 57.07 54.80 3cpl s TYR 63 Cb -0.11 -0.35 0.07 0.00 -1.10 0.00 0.00 41.96 40.47 3cpl s TYR 63 CO 0.29 -0.35 0.66 -1.50 -2.51 0.00 0.00 175.55 172.14 3cpl s ILE 64 N -3.49 0.00 -0.21 -3.49 2.07 -0.02 -3.03 121.20 113.03 3cpl s ILE 64 Ca 0.03 -0.03 0.01 0.00 -1.41 0.00 0.00 60.65 59.25 3cpl s ILE 64 Cb 0.05 -0.98 0.03 0.00 0.13 0.00 0.00 42.46 41.69 3cpl s ILE 64 CO -0.08 -0.02 -0.16 -0.22 -1.91 0.00 0.00 174.94 172.55 3cpl s LEU 65 N -1.17 2.61 0.01 8.50 2.96 -1.26 -1.62 118.68 128.71 3cpl s LEU 65 Ca -0.11 -0.85 -0.01 0.00 -0.22 0.00 0.00 54.13 52.94 3cpl s LEU 65 Cb -0.00 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.12 3cpl s LEU 65 CO 0.09 -0.06 0.11 0.00 -1.32 0.00 0.00 176.35 175.17 3cpl s ALA 66 N 1.25 3.70 0.24 5.97 0.00 0.15 -1.28 121.76 131.78 3cpl s ALA 66 Ca 0.01 -0.86 -0.15 0.00 0.00 0.00 0.00 51.96 50.97 3cpl s ALA 66 Cb -0.15 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.32 3cpl s ALA 66 CO -0.10 0.72 0.51 -3.38 0.00 0.00 0.00 175.76 173.51 3cpl s HIS 67 N -1.26 0.19 -0.01 0.00 -3.43 0.20 -0.19 115.29 110.79 3cpl s HIS 67 Ca 0.25 -0.57 -0.28 0.00 -0.80 0.00 0.00 55.06 53.66 3cpl s HIS 67 Cb -0.12 0.29 0.08 0.00 -1.43 0.00 0.00 32.58 31.40 3cpl s HIS 67 CO 0.17 -1.00 0.74 -0.08 -2.00 0.00 0.00 174.74 172.57 3cpl s THR 68 N -3.97 0.00 0.12 -5.38 -1.32 -0.89 -0.03 115.64 104.17 3cpl s THR 68 Ca 0.18 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.36 3cpl s THR 68 Cb -0.01 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.91 3cpl s THR 68 CO 0.06 0.00 1.02 -1.61 -2.21 0.00 0.00 174.62 171.88 3cpl s GLU 69 N -2.14 4.65 0.08 7.08 2.02 -1.26 -0.66 118.70 128.45 3cpl s GLU 69 Ca -0.04 1.55 -0.07 0.00 0.02 0.00 0.00 54.97 56.43 3cpl s GLU 69 Cb -0.00 -3.35 -0.01 0.00 0.10 0.00 0.00 34.13 30.87 3cpl s GLU 69 CO -0.00 0.14 0.15 -0.59 0.02 0.00 0.00 175.26 174.97 3cpl s PHE 70 N 0.02 0.21 -0.25 1.61 -0.71 -0.31 -4.86 117.98 113.69 3cpl s PHE 70 Ca 0.48 -0.64 -0.00 0.00 -1.04 0.00 0.00 56.93 55.74 3cpl s PHE 70 Cb -0.25 -0.12 0.07 0.00 -1.21 0.00 0.00 43.02 41.51 3cpl s PHE 70 CO 0.31 -0.50 0.01 0.99 -1.34 0.00 0.00 175.22 174.69 3cpl s THR 71 N -3.70 1.18 0.69 -4.49 2.01 -1.26 -0.77 115.64 109.30 3cpl s THR 71 Ca 0.04 -1.16 -0.16 0.00 0.31 0.00 0.00 61.69 60.72 3cpl s THR 71 Cb 0.05 -1.63 0.02 0.00 0.01 0.00 0.00 72.50 70.95 3cpl s THR 71 CO -0.10 -0.28 1.24 -2.84 -0.69 0.00 0.00 174.62 171.95 3cpl s PRO 72 N 1.53 2.33 0.29 4.92 0.02 -1.26 -4.82 135.00 138.01 3cpl s PRO 72 Ca -0.00 1.88 -0.04 0.00 0.02 0.00 0.00 61.00 62.86 3cpl s PRO 72 Cb -0.18 -1.84 -0.01 0.00 0.02 0.00 0.00 34.50 32.49 3cpl s PRO 72 CO -0.11 -1.72 0.40 0.95 -0.33 0.00 0.00 177.00 176.19 3cpl s THR 73 N -1.74 0.00 0.14 0.99 -4.23 -1.26 -1.04 115.64 108.49 3cpl s THR 73 Ca 0.78 -1.66 -0.22 0.00 -1.18 0.00 0.00 61.69 59.41 3cpl s THR 73 Cb -0.32 -2.50 0.00 0.00 1.34 0.00 0.00 72.50 71.01 3cpl s THR 73 CO 0.42 0.00 1.66 -0.33 -0.54 0.00 0.00 174.62 175.84 3cpl h GLU 74 N 2.24 -0.17 0.00 3.99 4.39 -1.97 -3.37 114.58 119.68 3cpl h GLU 74 Ca -0.29 0.01 -0.10 0.00 0.34 0.00 0.00 59.36 59.32 3cpl h GLU 74 Cb 1.24 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.91 3cpl h GLU 74 CO 0.40 -0.11 -2.04 0.25 -1.16 0.00 0.00 179.01 176.35 3cpl n THR 75 N -5.31 0.38 -2.15 1.13 -2.24 -1.26 -4.95 114.28 99.88 3cpl n THR 75 Ca -0.02 -0.57 -0.34 0.00 -2.27 0.00 0.00 64.05 60.86 3cpl n THR 75 Cb 0.23 -0.12 0.01 0.00 -2.10 0.00 0.00 70.33 68.34 3cpl n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3cpl s ASP 76 N -4.64 5.72 0.04 3.42 1.01 -1.26 -5.04 116.67 115.93 3cpl s ASP 76 Ca -0.08 2.01 0.09 0.00 0.71 0.00 0.00 52.55 55.27 3cpl s ASP 76 Cb 0.11 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.45 3cpl s ASP 76 CO 0.83 -1.21 -0.24 0.42 0.21 0.00 0.00 175.17 175.17 3cpl s THR 77 N -2.10 1.95 0.08 -1.27 -4.23 -1.26 -4.83 115.64 103.98 3cpl s THR 77 Ca 0.68 -1.32 0.07 0.00 -1.18 0.00 0.00 61.69 59.94 3cpl s THR 77 Cb -0.20 -1.68 -0.03 0.00 1.34 0.00 0.00 72.50 71.93 3cpl s THR 77 CO 0.31 0.30 -0.18 -0.31 -0.54 0.00 0.00 174.62 174.20 3cpl s TYR 78 N -0.80 1.54 0.18 3.99 1.51 -1.26 -0.36 117.35 122.15 3cpl s TYR 78 Ca 0.10 -0.42 -0.17 0.00 -1.01 0.00 0.00 57.07 55.57 3cpl s TYR 78 Cb -0.10 -0.86 0.03 0.00 -0.11 0.00 0.00 41.96 40.92 3cpl s TYR 78 CO 0.02 0.13 0.49 0.00 -1.11 0.00 0.00 175.55 175.08 3cpl s ALA 79 N -1.14 -0.90 -0.10 3.71 0.00 -0.30 -0.17 121.76 122.85 3cpl s ALA 79 Ca 0.03 -0.22 0.04 0.00 0.00 0.00 0.00 51.96 51.81 3cpl s ALA 79 Cb -0.10 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.86 3cpl s ALA 79 CO 0.03 -0.77 -0.23 0.00 0.00 0.00 0.00 175.76 174.79 3cpl s ARG 81 N 0.41 3.15 -0.13 0.00 3.52 0.35 -0.09 118.95 126.15 3cpl s ARG 81 Ca -0.18 -0.78 -0.00 0.00 -0.13 0.00 0.00 55.73 54.65 3cpl s ARG 81 Cb -0.18 -2.60 -0.01 0.00 -1.56 0.00 0.00 34.95 30.60 3cpl s ARG 81 CO 0.08 -0.04 -0.13 0.08 -0.81 0.00 0.00 175.30 174.48 3cpl s VAL 82 N 0.93 3.06 -0.19 7.11 1.01 0.47 0.49 120.40 133.27 3cpl s VAL 82 Ca -0.03 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 3cpl s VAL 82 Cb -0.15 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 3cpl s VAL 82 CO -0.03 0.52 -0.02 -0.75 0.00 0.00 0.00 175.10 174.83 3cpl s LYS 83 N 0.38 3.59 -0.15 2.72 2.47 0.11 -0.41 119.74 128.46 3cpl s LYS 83 Ca -0.10 -0.54 -0.09 0.00 -1.56 0.00 0.00 55.97 53.68 3cpl s LYS 83 Cb -0.16 -3.01 0.05 0.00 -1.46 0.00 0.00 37.83 33.25 3cpl s LYS 83 CO 0.05 0.05 0.36 -1.58 0.16 0.00 0.00 175.35 174.39 3cpl s HIS 84 N 0.87 -0.49 0.32 4.03 2.46 -1.26 -2.20 115.29 119.02 3cpl s HIS 84 Ca 0.00 1.10 0.27 0.00 0.47 0.00 0.00 55.06 56.90 3cpl s HIS 84 Cb -0.14 0.19 1.06 0.00 -0.13 0.00 0.00 32.58 33.55 3cpl s HIS 84 CO 0.02 -0.29 1.03 -0.25 -2.47 0.00 0.00 174.74 172.77 3cpl n ASP 85 N 4.04 0.07 -0.48 9.88 9.92 -1.26 0.18 116.55 138.90 3cpl n ASP 85 Ca -0.22 0.79 0.04 0.00 -0.53 0.00 0.00 54.79 54.87 3cpl n ASP 85 Cb 0.55 -0.39 0.11 0.00 -0.64 0.00 0.00 41.12 40.75 3cpl n ASP 85 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 3cpl n SER 86 N -3.66 1.39 -3.76 -2.24 3.41 -1.26 -4.77 113.62 102.73 3cpl n SER 86 Ca 0.28 -2.01 -0.14 0.00 -0.26 0.00 0.00 58.87 56.73 3cpl n SER 86 Cb 1.17 -0.18 -0.15 0.00 -0.26 0.00 0.00 64.21 64.78 3cpl n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3cpl s MET 87 N -1.66 0.02 0.26 4.33 -1.94 0.13 -4.86 119.30 115.59 3cpl s MET 87 Ca 0.17 0.28 -0.03 0.00 -1.71 0.00 0.00 55.69 54.40 3cpl s MET 87 Cb 0.09 -0.22 0.34 0.00 2.01 0.00 0.00 34.83 37.05 3cpl s MET 87 CO 0.11 -0.17 1.81 0.00 -0.01 0.00 0.00 175.02 176.76 3cpl h ALA 88 N 7.30 1.17 -3.49 3.03 0.00 -1.86 -3.42 119.26 121.98 3cpl h ALA 88 Ca -0.44 -0.20 -0.56 0.00 0.00 0.00 0.00 54.91 53.71 3cpl h ALA 88 Cb 1.13 -0.24 -0.21 0.00 0.00 0.00 0.00 17.79 18.47 3cpl h ALA 88 CO 0.45 0.57 -0.82 -1.21 0.00 0.00 0.00 179.25 178.24 3cpl s GLU 89 N -5.28 1.18 0.38 0.00 8.01 -1.26 -5.08 118.70 116.65 3cpl s GLU 89 Ca -0.10 -1.24 -0.27 0.00 0.01 0.00 0.00 54.97 53.37 3cpl s GLU 89 Cb 0.15 -1.41 -0.10 0.00 -4.31 0.00 0.00 34.13 28.47 3cpl s GLU 89 CO 0.81 0.32 1.36 -2.14 0.01 0.00 0.00 175.26 175.62 3cpl s PRO 90 N -2.14 4.09 -0.18 0.39 0.02 -1.26 -4.85 135.00 131.07 3cpl s PRO 90 Ca 0.09 2.31 -0.11 0.00 0.02 0.00 0.00 61.00 63.31 3cpl s PRO 90 Cb -0.09 -2.89 -0.05 0.00 0.02 0.00 0.00 34.50 31.49 3cpl s PRO 90 CO 0.05 -0.45 0.19 0.21 -0.33 0.00 0.00 177.00 176.67 3cpl s LYS 91 N -2.09 4.14 -0.13 5.54 2.47 0.45 -4.86 119.74 125.25 3cpl s LYS 91 Ca 0.54 -0.10 -0.00 0.00 -1.56 0.00 0.00 55.97 54.84 3cpl s LYS 91 Cb -0.41 -3.40 -0.01 0.00 -1.46 0.00 0.00 37.83 32.54 3cpl s LYS 91 CO 0.55 0.33 -0.13 0.99 0.16 0.00 0.00 175.35 177.24 3cpl s THR 92 N 0.25 3.05 -0.12 3.43 2.01 -1.26 -0.40 115.64 122.60 3cpl s THR 92 Ca 0.11 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 61.49 3cpl s THR 92 Cb -0.12 -2.28 0.00 0.00 0.01 0.00 0.00 72.50 70.11 3cpl s THR 92 CO 0.01 0.52 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.54 3cpl s VAL 93 N 0.40 2.08 0.51 3.82 1.01 0.88 -4.95 120.40 124.14 3cpl s VAL 93 Ca -0.10 -0.99 -0.16 0.00 0.00 0.00 0.00 61.98 60.73 3cpl s VAL 93 Cb -0.16 -1.81 -0.08 0.00 0.00 0.00 0.00 36.38 34.34 3cpl s VAL 93 CO 0.05 0.55 0.96 -0.31 0.00 0.00 0.00 175.10 176.36 3cpl s TYR 94 N 0.57 3.46 0.02 5.22 1.51 -1.26 -0.48 117.35 126.39 3cpl s TYR 94 Ca -0.13 1.41 -0.22 0.00 -1.01 0.00 0.00 57.07 57.12 3cpl s TYR 94 Cb -0.17 -2.75 -0.06 0.00 -0.11 0.00 0.00 41.96 38.88 3cpl s TYR 94 CO 0.04 -0.35 0.65 -0.46 -1.11 0.00 0.00 175.55 174.32 3cpl s TRP 95 N -2.62 3.71 -0.20 2.71 -0.00 0.76 -4.81 118.94 118.49 3cpl s TRP 95 Ca 0.58 1.30 0.01 0.00 -0.00 0.00 0.00 56.10 57.98 3cpl s TRP 95 Cb -0.10 -2.68 0.04 0.00 -0.00 0.00 0.00 33.47 30.74 3cpl s TRP 95 CO 0.32 0.34 -0.09 0.34 -0.00 0.00 0.00 176.95 177.86 3cpl s ASP 96 N -0.21 3.34 0.63 5.86 -1.08 -1.26 -4.74 116.67 119.21 3cpl s ASP 96 Ca 0.33 -0.87 0.42 0.00 -0.52 0.00 0.00 52.55 51.91 3cpl s ASP 96 Cb -0.19 -1.17 2.30 0.00 -1.46 0.00 0.00 42.92 42.39 3cpl s ASP 96 CO 0.19 -0.16 2.29 0.08 0.52 0.00 0.00 175.17 178.10 3cpl h ARG 97 N 8.00 0.00 0.00 4.34 0.11 -1.97 0.46 114.38 125.32 3cpl h ARG 97 Ca -0.26 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.82 3cpl h ARG 97 Cb 1.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.18 3cpl h ARG 97 CO 0.46 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.28 3cpl n ASP 98 N -2.99 0.72 0.00 0.08 8.00 -1.26 -4.85 116.55 116.25 3cpl n ASP 98 Ca -0.03 0.57 0.00 0.00 0.71 0.00 0.00 54.79 56.04 3cpl n ASP 98 Cb 0.08 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.41 3cpl n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04