#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nan s GLN 2 N 0.00 3.04 -0.07 0.38 -1.52 -1.26 -4.85 119.66 115.37 1nan s GLN 2 Ca 0.00 1.46 0.03 0.00 -1.95 0.00 0.00 55.36 54.90 1nan s GLN 2 Cb 0.00 -1.98 0.01 0.00 -0.22 0.00 0.00 33.01 30.82 1nan s GLN 2 CO 0.00 -1.07 -0.16 0.15 -0.25 0.00 0.00 175.29 173.95 1nan s LYS 3 N -3.79 2.04 0.02 2.91 -0.14 0.82 -4.93 119.74 116.68 1nan s LYS 3 Ca 0.69 -0.57 -0.30 0.00 -1.36 0.00 0.00 55.97 54.43 1nan s LYS 3 Cb -0.21 -1.65 -0.05 0.00 -1.68 0.00 0.00 37.83 34.24 1nan s LYS 3 CO 0.36 0.11 1.21 0.99 -0.76 0.00 0.00 175.35 177.26 1nan s THR 4 N 0.46 4.10 0.40 2.17 2.01 -1.25 -2.69 115.64 120.84 1nan s THR 4 Ca -0.13 1.48 -0.26 0.00 0.31 0.00 0.00 61.69 63.08 1nan s THR 4 Cb -0.15 -3.95 -0.09 0.00 0.01 0.00 0.00 72.50 68.32 1nan s THR 4 CO 0.05 0.07 1.35 -2.16 -0.69 0.00 0.00 174.62 173.23 1nan s PRO 5 N 1.52 3.96 0.14 4.92 0.04 -1.25 -4.43 135.00 139.90 1nan s PRO 5 Ca 0.58 2.25 0.04 0.00 0.04 0.00 0.00 61.00 63.91 1nan s PRO 5 Cb -0.28 -2.79 -0.04 0.00 0.04 0.00 0.00 34.50 31.44 1nan s PRO 5 CO 0.27 -0.53 0.16 -0.65 0.04 0.00 0.00 177.00 176.29 1nan s GLN 6 N -2.22 3.05 -0.05 4.56 -1.52 -0.26 -4.91 119.66 118.30 1nan s GLN 6 Ca 0.56 -0.75 -0.02 0.00 -1.95 0.00 0.00 55.36 53.20 1nan s GLN 6 Cb -0.40 -2.75 0.03 0.00 -0.22 0.00 0.00 33.01 29.67 1nan s GLN 6 CO 0.52 0.51 0.10 0.42 -0.25 0.00 0.00 175.29 176.59 1nan s ILE 7 N -1.67 -0.05 0.02 1.08 1.01 -1.26 -1.21 121.20 119.12 1nan s ILE 7 Ca 0.32 0.18 0.07 0.00 0.00 0.00 0.00 60.65 61.22 1nan s ILE 7 Cb -0.11 -0.17 -0.02 0.00 0.01 0.00 0.00 42.46 42.17 1nan s ILE 7 CO 0.25 0.07 -0.22 -1.10 0.00 0.00 0.00 174.94 173.94 1nan s GLN 8 N 1.05 1.60 -0.08 2.79 -0.21 -0.66 -4.97 119.66 119.18 1nan s GLN 8 Ca -0.08 -0.91 0.05 0.00 0.02 0.00 0.00 55.36 54.43 1nan s GLN 8 Cb -0.11 -1.66 -0.00 0.00 1.00 0.00 0.00 33.01 32.23 1nan s GLN 8 CO -0.04 0.44 -0.24 0.08 -2.12 0.00 0.00 175.29 173.40 1nan s VAL 9 N -0.70 2.02 -0.19 1.09 1.01 -1.26 -0.66 120.40 121.71 1nan s VAL 9 Ca 0.09 -1.02 -0.32 0.00 0.00 0.00 0.00 61.98 60.72 1nan s VAL 9 Cb -0.09 -1.73 0.15 0.00 0.00 0.00 0.00 36.38 34.71 1nan s VAL 9 CO 0.01 0.56 1.18 -0.72 0.00 0.00 0.00 175.10 176.12 1nan s TYR 10 N 0.09 -0.17 0.39 5.22 -0.85 -1.08 -4.53 117.35 116.42 1nan s TYR 10 Ca -0.11 0.19 -0.00 0.00 -0.52 0.00 0.00 57.07 56.63 1nan s TYR 10 Cb -0.16 0.50 -0.02 0.00 0.38 0.00 0.00 41.96 42.66 1nan s TYR 10 CO 0.06 -0.22 0.61 -1.54 -1.52 0.00 0.00 175.55 172.94 1nan s SER 11 N -1.74 6.14 0.11 -0.18 1.04 -1.26 -0.20 113.70 117.61 1nan s SER 11 Ca 0.07 0.43 -0.16 0.00 0.48 0.00 0.00 55.95 56.77 1nan s SER 11 Cb -0.01 -1.88 -0.04 0.00 0.10 0.00 0.00 66.02 64.19 1nan s SER 11 CO -0.04 -0.45 1.55 -0.09 0.98 0.00 0.00 173.24 175.18 1nan h ARG 12 N 0.59 0.62 -6.25 4.02 2.43 -1.52 -3.46 114.38 110.81 1nan h ARG 12 Ca -0.48 -0.20 -0.59 0.00 -0.81 0.00 0.00 59.98 57.90 1nan h ARG 12 Cb 1.23 -0.05 -0.12 0.00 -0.42 0.00 0.00 29.97 30.61 1nan h ARG 12 CO 0.60 0.75 -0.70 -1.01 -1.51 0.00 0.00 179.97 178.10 1nan s HIS 13 N -4.96 2.54 0.20 2.20 3.76 -1.26 -5.05 115.29 112.71 1nan s HIS 13 Ca -0.13 -0.26 -0.32 0.00 -0.15 0.00 0.00 55.06 54.20 1nan s HIS 13 Cb 0.09 -1.14 -0.12 0.00 1.11 0.00 0.00 32.58 32.53 1nan s HIS 13 CO 0.78 0.64 1.74 -2.14 -0.85 0.00 0.00 174.74 174.91 1nan s PRO 14 N -3.47 4.12 0.23 8.40 0.02 -1.26 -4.88 135.00 138.16 1nan s PRO 14 Ca 0.30 2.62 -0.30 0.00 0.02 0.00 0.00 61.00 63.63 1nan s PRO 14 Cb -0.06 -3.13 -0.09 0.00 0.02 0.00 0.00 34.50 31.24 1nan s PRO 14 CO 0.17 -0.77 1.24 -1.25 -0.33 0.00 0.00 177.00 176.06 1nan s PRO 15 N 1.36 4.46 -0.02 5.54 0.04 -1.26 -5.03 135.00 140.09 1nan s PRO 15 Ca 0.76 1.98 -0.00 0.00 0.04 0.00 0.00 61.00 63.78 1nan s PRO 15 Cb -0.49 -3.19 0.03 0.00 0.04 0.00 0.00 34.50 30.88 1nan s PRO 15 CO 0.33 -0.11 0.03 -1.21 0.04 0.00 0.00 177.00 176.08 1nan s GLU 16 N -0.64 -0.03 0.22 4.56 2.02 -1.26 -5.12 118.70 118.45 1nan s GLU 16 Ca 0.52 0.18 -0.32 0.00 0.02 0.00 0.00 54.97 55.38 1nan s GLU 16 Cb -0.35 -0.23 -0.13 0.00 0.10 0.00 0.00 34.13 33.52 1nan s GLU 16 CO 0.40 -0.16 1.61 0.09 0.02 0.00 0.00 175.26 177.23 1nan n ASN 17 N 4.13 3.56 0.00 -0.19 3.02 -1.26 -2.08 115.26 122.44 1nan n ASN 17 Ca -0.27 1.10 0.00 0.00 -0.03 0.00 0.00 54.58 55.38 1nan n ASN 17 Cb 0.51 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.15 1nan n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nan n GLY 18 N 3.12 0.84 3.22 7.41 0.00 -0.53 -5.01 105.19 114.25 1nan n GLY 18 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1nan n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nan s LYS 19 N -0.18 2.96 0.25 1.61 2.20 -0.88 -5.00 119.74 120.70 1nan s LYS 19 Ca 0.00 -0.89 -0.30 0.00 -0.36 0.00 0.00 55.97 54.42 1nan s LYS 19 Cb 0.00 -2.98 -0.14 0.00 -1.51 0.00 0.00 37.83 33.20 1nan s LYS 19 CO 0.00 -0.35 1.17 -2.30 -0.36 0.00 0.00 175.35 173.51 1nan n PRO 20 N 4.70 1.54 -3.91 4.03 -0.02 -1.26 -4.46 135.00 135.62 1nan n PRO 20 Ca -0.17 0.54 -0.14 0.00 -2.02 0.00 0.00 63.50 61.71 1nan n PRO 20 Cb 0.48 -2.04 -0.03 0.00 -0.02 0.00 0.00 33.50 31.89 1nan n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1nan n ASN 21 N 1.61 -1.35 -4.29 2.55 2.85 0.11 -4.99 115.26 111.76 1nan n ASN 21 Ca 0.11 -2.84 -0.32 0.00 -0.11 0.00 0.00 54.58 51.42 1nan n ASN 21 Cb 0.30 2.51 -0.16 0.00 1.24 0.00 0.00 39.78 43.67 1nan n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1nan s ILE 22 N -2.78 2.39 -0.15 -1.44 -1.09 -1.26 -1.39 121.20 115.47 1nan s ILE 22 Ca 0.28 -0.92 -0.06 0.00 -2.23 0.00 0.00 60.65 57.72 1nan s ILE 22 Cb -0.01 -1.92 -0.04 0.00 -1.58 0.00 0.00 42.46 38.91 1nan s ILE 22 CO 0.20 0.56 0.05 -0.22 -1.23 0.00 0.00 174.94 174.29 1nan s LEU 23 N 0.09 3.77 0.03 2.97 2.96 0.04 -1.17 118.68 127.38 1nan s LEU 23 Ca -0.10 0.12 0.04 0.00 -0.22 0.00 0.00 54.13 53.97 1nan s LEU 23 Cb -0.16 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 1nan s LEU 23 CO 0.06 0.25 -0.04 0.20 -1.32 0.00 0.00 176.35 175.49 1nan s ASN 24 N -0.07 4.79 -0.22 3.68 0.01 0.72 -1.50 114.94 122.35 1nan s ASN 24 Ca 0.06 -0.15 -0.00 0.00 -0.71 0.00 0.00 52.86 52.05 1nan s ASN 24 Cb -0.12 -1.13 0.06 0.00 0.41 0.00 0.00 41.25 40.47 1nan s ASN 24 CO 0.01 0.25 -0.02 0.00 -1.51 0.00 0.00 177.10 175.83 1nan s TYR 26 N 1.55 3.19 -0.09 0.00 5.04 0.16 -0.29 117.35 126.91 1nan s TYR 26 Ca -0.04 -0.57 0.03 0.00 -2.44 0.00 0.00 57.07 54.04 1nan s TYR 26 Cb -0.18 -2.37 -0.02 0.00 0.35 0.00 0.00 41.96 39.74 1nan s TYR 26 CO -0.07 -0.46 -0.17 0.08 -1.34 0.00 0.00 175.55 173.58 1nan s VAL 27 N 1.62 2.74 0.34 3.14 1.01 0.07 -1.65 120.40 127.66 1nan s VAL 27 Ca 0.04 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.29 1nan s VAL 27 Cb -0.17 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.09 1nan s VAL 27 CO 0.07 0.55 0.30 0.42 0.00 0.00 0.00 175.10 176.44 1nan s THR 28 N -0.03 0.00 -1.49 3.92 -4.23 -0.35 -1.13 115.64 112.34 1nan s THR 28 Ca -0.05 -1.96 -0.13 0.00 -1.18 0.00 0.00 61.69 58.37 1nan s THR 28 Cb -0.14 -2.52 0.09 0.00 1.34 0.00 0.00 72.50 71.27 1nan s THR 28 CO 0.04 0.00 0.75 0.00 -0.54 0.00 0.00 174.62 174.88 1nan n GLN 29 N -0.63 -4.28 -4.34 3.99 1.13 -1.09 -1.10 117.38 111.06 1nan n GLN 29 Ca 0.07 0.53 -0.25 0.00 -1.94 0.00 0.00 57.00 55.41 1nan n GLN 29 Cb 0.62 -5.33 -0.12 0.00 0.11 0.00 0.00 30.24 25.52 1nan n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 1nan s PHE 30 N -3.16 1.99 -0.28 1.08 -0.71 -1.20 -3.79 117.98 111.92 1nan s PHE 30 Ca 0.57 -0.41 -0.22 0.00 -1.04 0.00 0.00 56.93 55.83 1nan s PHE 30 Cb -0.30 -1.05 0.10 0.00 -1.21 0.00 0.00 43.02 40.57 1nan s PHE 30 CO 0.70 0.32 0.83 -1.58 -1.34 0.00 0.00 175.22 174.15 1nan s HIS 31 N -1.45 -0.74 1.14 3.49 2.46 -1.09 -0.43 115.29 118.67 1nan s HIS 31 Ca 0.13 1.66 -0.18 0.00 0.47 0.00 0.00 55.06 57.14 1nan s HIS 31 Cb -0.09 0.39 0.26 0.00 -0.13 0.00 0.00 32.58 33.01 1nan s HIS 31 CO 0.06 -0.36 1.13 -1.25 -2.47 0.00 0.00 174.74 171.85 1nan s PRO 32 N 0.76 -0.73 0.38 2.88 0.04 -1.26 -0.13 135.00 136.94 1nan s PRO 32 Ca -0.03 0.00 0.26 0.00 0.04 0.00 0.00 61.00 61.28 1nan s PRO 32 Cb -0.05 -1.65 0.80 0.00 0.04 0.00 0.00 34.50 33.65 1nan s PRO 32 CO -0.08 -3.40 1.76 -1.00 0.04 0.00 0.00 177.00 174.32 1nan h PRO 33 N -2.36 0.00 -6.65 0.56 0.13 -1.98 -3.44 132.00 118.25 1nan h PRO 33 Ca -0.47 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.14 1nan h PRO 33 Cb 1.30 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.48 1nan h PRO 33 CO 0.39 0.00 0.89 -1.58 -0.23 0.00 0.00 178.00 177.47 1nan s HIS 34 N -3.31 3.00 -0.16 1.56 2.46 -1.26 -4.97 115.29 112.61 1nan s HIS 34 Ca 0.06 0.64 -0.28 0.00 0.47 0.00 0.00 55.06 55.95 1nan s HIS 34 Cb 0.08 -3.97 0.07 0.00 -0.13 0.00 0.00 32.58 28.64 1nan s HIS 34 CO 0.58 -3.51 0.73 -1.50 -2.47 0.00 0.00 174.74 168.56 1nan s ILE 35 N 0.89 0.00 -0.15 0.89 2.07 -1.26 -4.77 121.20 118.87 1nan s ILE 35 Ca 0.69 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.93 1nan s ILE 35 Cb -0.45 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.13 1nan s ILE 35 CO 0.34 0.00 -0.14 -1.61 -1.91 0.00 0.00 174.94 171.62 1nan s GLU 36 N -0.44 3.27 -0.13 3.50 2.02 -1.02 -5.01 118.70 120.90 1nan s GLU 36 Ca -0.05 -0.73 0.03 0.00 0.02 0.00 0.00 54.97 54.24 1nan s GLU 36 Cb -0.02 -2.63 0.01 0.00 0.10 0.00 0.00 34.13 31.59 1nan s GLU 36 CO 0.05 0.09 -0.21 0.42 0.02 0.00 0.00 175.26 175.63 1nan s ILE 37 N 0.65 1.94 0.09 -1.63 1.01 -1.26 -0.69 121.20 121.31 1nan s ILE 37 Ca -0.08 -0.91 0.09 0.00 0.00 0.00 0.00 60.65 59.76 1nan s ILE 37 Cb -0.16 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 1nan s ILE 37 CO 0.02 0.53 -0.23 -1.10 0.00 0.00 0.00 174.94 174.16 1nan s GLN 38 N 0.79 1.71 0.06 2.79 -0.21 0.11 -4.98 119.66 119.94 1nan s GLN 38 Ca -0.08 -1.18 0.03 0.00 0.02 0.00 0.00 55.36 54.15 1nan s GLN 38 Cb -0.16 -2.02 -0.04 0.00 1.00 0.00 0.00 33.01 31.79 1nan s GLN 38 CO -0.01 0.49 0.01 -1.64 -2.12 0.00 0.00 175.29 172.03 1nan s MET 39 N -1.77 2.68 0.00 2.91 -1.94 -1.26 0.33 119.30 120.25 1nan s MET 39 Ca 0.15 -0.74 0.01 0.00 -1.71 0.00 0.00 55.69 53.39 1nan s MET 39 Cb -0.10 -2.61 -0.00 0.00 2.01 0.00 0.00 34.83 34.12 1nan s MET 39 CO 0.06 0.57 -0.03 -0.51 -0.01 0.00 0.00 175.02 175.10 1nan s LEU 40 N -2.09 2.02 -0.22 -0.03 1.43 0.23 -0.73 118.68 119.30 1nan s LEU 40 Ca 0.24 -0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.24 1nan s LEU 40 Cb -0.12 -0.13 0.01 0.00 0.03 0.00 0.00 46.19 45.98 1nan s LEU 40 CO 0.16 0.01 -0.10 -0.75 0.23 0.00 0.00 176.35 175.91 1nan s LYS 41 N -0.18 3.07 -1.49 1.70 2.20 0.16 -1.17 119.74 124.04 1nan s LYS 41 Ca -0.00 -0.81 -0.07 0.00 -0.36 0.00 0.00 55.97 54.73 1nan s LYS 41 Cb -0.02 -2.86 0.06 0.00 -1.51 0.00 0.00 37.83 33.50 1nan s LYS 41 CO -0.00 -0.27 0.67 0.09 -0.36 0.00 0.00 175.35 175.48 1nan n ASN 42 N 4.69 -2.12 0.00 1.43 3.02 0.55 -1.38 115.26 121.45 1nan n ASN 42 Ca -0.19 -0.93 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 1nan n ASN 42 Cb 0.49 -3.33 0.00 0.00 -0.61 0.00 0.00 39.78 36.33 1nan n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nan n GLY 43 N -1.72 2.49 3.76 7.41 0.00 -1.26 -5.00 105.19 110.87 1nan n GLY 43 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 1nan n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nan s LYS 44 N -0.00 3.67 0.26 1.61 1.02 -0.48 -5.04 119.74 120.78 1nan s LYS 44 Ca 0.00 -0.24 -0.30 0.00 0.02 0.00 0.00 55.97 55.44 1nan s LYS 44 Cb 0.00 -3.19 -0.13 0.00 -0.52 0.00 0.00 37.83 33.99 1nan s LYS 44 CO 0.00 0.54 1.32 1.17 -0.92 0.00 0.00 175.35 177.46 1nan n LYS 45 N 2.72 1.90 -3.04 1.68 4.81 -1.26 -0.66 118.16 124.30 1nan n LYS 45 Ca -0.18 0.67 -0.40 0.00 -0.87 0.00 0.00 58.31 57.53 1nan n LYS 45 Cb 0.53 -2.27 -0.05 0.00 0.02 0.00 0.00 35.03 33.27 1nan n LYS 45 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1nan s ILE 46 N -0.36 5.04 0.01 3.15 1.01 0.09 -4.78 121.20 125.37 1nan s ILE 46 Ca 0.65 1.44 -0.25 0.00 0.00 0.00 0.00 60.65 62.50 1nan s ILE 46 Cb -0.66 -4.04 -0.14 0.00 0.01 0.00 0.00 42.46 37.64 1nan s ILE 46 CO 0.53 0.24 1.10 1.55 0.00 0.00 0.00 174.94 178.36 1nan h PRO 47 N 6.79 -0.85 -4.69 2.79 0.13 -1.94 -3.43 132.00 130.80 1nan h PRO 47 Ca -0.40 0.06 -0.70 0.00 -0.87 0.00 0.00 66.00 64.08 1nan h PRO 47 Cb 1.19 0.19 -0.20 0.00 0.13 0.00 0.00 31.00 32.32 1nan h PRO 47 CO 0.76 -0.57 0.14 -1.59 -0.23 0.00 0.00 178.00 176.51 1nan s LYS 48 N -4.52 3.07 -0.14 0.86 -2.85 -1.26 -5.01 119.74 109.88 1nan s LYS 48 Ca -0.13 -1.34 0.02 0.00 -1.00 0.00 0.00 55.97 53.51 1nan s LYS 48 Cb 0.01 -4.28 0.00 0.00 -2.06 0.00 0.00 37.83 31.50 1nan s LYS 48 CO 0.39 -1.55 -0.19 0.08 0.10 0.00 0.00 175.35 174.18 1nan s VAL 49 N 2.67 2.37 0.24 1.79 1.01 -1.26 -4.70 120.40 122.51 1nan s VAL 49 Ca 0.12 -0.88 -0.19 0.00 0.00 0.00 0.00 61.98 61.04 1nan s VAL 49 Cb -0.23 -1.97 -0.08 0.00 0.00 0.00 0.00 36.38 34.09 1nan s VAL 49 CO 0.06 0.53 0.73 -0.70 0.00 0.00 0.00 175.10 175.71 1nan s GLU 50 N 0.76 4.22 -0.14 2.72 2.56 0.99 -4.87 118.70 124.93 1nan s GLU 50 Ca -0.07 0.84 -0.02 0.00 0.00 0.00 0.00 54.97 55.72 1nan s GLU 50 Cb -0.16 -2.82 -0.02 0.00 2.00 0.00 0.00 34.13 33.13 1nan s GLU 50 CO 0.00 0.36 -0.08 -1.64 -0.56 0.00 0.00 175.26 173.35 1nan s MET 51 N -2.12 3.46 1.13 4.30 -1.94 -1.26 -0.63 119.30 122.25 1nan s MET 51 Ca 0.44 -0.59 -0.16 0.00 -1.71 0.00 0.00 55.69 53.67 1nan s MET 51 Cb -0.16 -2.77 0.25 0.00 2.01 0.00 0.00 34.83 34.17 1nan s MET 51 CO 0.20 0.28 1.10 -1.54 -0.01 0.00 0.00 175.02 175.05 1nan s SER 52 N 0.22 1.50 0.55 3.03 1.04 0.71 -5.01 113.70 115.74 1nan s SER 52 Ca -0.05 0.87 -0.20 0.00 0.48 0.00 0.00 55.95 57.05 1nan s SER 52 Cb -0.14 -1.31 -0.05 0.00 0.10 0.00 0.00 66.02 64.62 1nan s SER 52 CO 0.04 -3.79 1.19 -1.81 0.98 0.00 0.00 173.24 169.84 1nan s ASP 53 N -3.66 5.56 0.11 7.02 1.01 -1.26 -4.79 116.67 120.67 1nan s ASP 53 Ca 0.69 2.34 -0.25 0.00 0.71 0.00 0.00 52.55 56.04 1nan s ASP 53 Cb -0.14 -2.60 -0.07 0.00 1.01 0.00 0.00 42.92 41.13 1nan s ASP 53 CO 0.57 -1.34 0.77 -0.32 0.21 0.00 0.00 175.17 175.06 1nan s MET 54 N -3.15 4.53 0.26 8.23 1.75 -1.26 -4.71 119.30 124.95 1nan s MET 54 Ca 0.73 1.11 0.04 0.00 -1.25 0.00 0.00 55.69 56.32 1nan s MET 54 Cb -0.29 -3.31 -0.05 0.00 2.84 0.00 0.00 34.83 34.02 1nan s MET 54 CO 0.33 0.44 0.02 -1.12 -0.65 0.00 0.00 175.02 174.04 1nan s SER 55 N -0.66 1.95 0.13 1.11 0.01 -1.02 -5.02 113.70 110.21 1nan s SER 55 Ca 0.37 -1.27 0.04 0.00 1.31 0.00 0.00 55.95 56.40 1nan s SER 55 Cb -0.22 -0.01 -0.04 0.00 0.21 0.00 0.00 66.02 65.96 1nan s SER 55 CO 0.25 -0.54 -0.10 0.72 0.41 0.00 0.00 173.24 173.98 1nan s PHE 56 N -3.40 1.18 0.52 2.43 -0.12 -1.26 -1.35 117.98 115.98 1nan s PHE 56 Ca 0.31 -0.76 0.05 0.00 -0.05 0.00 0.00 56.93 56.48 1nan s PHE 56 Cb 0.06 -0.62 0.05 0.00 -0.63 0.00 0.00 43.02 41.89 1nan s PHE 56 CO 0.11 0.04 0.39 -1.13 -0.05 0.00 0.00 175.22 174.58 1nan n SER 57 N -0.02 2.64 0.27 1.98 3.41 0.00 -4.97 113.62 116.94 1nan n SER 57 Ca -0.12 -2.77 0.12 0.00 -0.26 0.00 0.00 58.87 55.84 1nan n SER 57 Cb 0.60 -0.05 0.76 0.00 -0.26 0.00 0.00 64.21 65.26 1nan n SER 57 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1nan h LYS 58 N 0.00 0.00 -0.11 4.33 1.79 -2.02 0.18 116.57 120.73 1nan h LYS 58 Ca -0.33 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 1nan h LYS 58 Cb 1.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1nan h LYS 58 CO 0.51 0.09 0.00 -0.40 -1.08 0.00 0.00 179.45 178.57 1nan n ASP 59 N -3.82 0.85 0.00 0.86 5.75 -1.26 -4.91 116.55 114.03 1nan n ASP 59 Ca -0.02 -1.72 0.00 0.00 -0.01 0.00 0.00 54.79 53.04 1nan n ASP 59 Cb 0.18 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 1nan n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1nan n TRP 60 N -0.16 0.00 -2.49 2.11 5.03 0.62 -5.02 117.44 117.53 1nan n TRP 60 Ca 0.12 0.00 -0.33 0.00 3.03 0.00 0.00 57.50 60.32 1nan n TRP 60 Cb 0.18 0.00 -0.04 0.00 -1.03 0.00 0.00 31.31 30.42 1nan n TRP 60 CO 0.00 0.00 0.00 -1.54 -0.03 0.00 0.00 177.69 176.12 1nan s SER 61 N -2.05 6.49 0.32 -0.99 1.04 -1.26 -4.59 113.70 112.66 1nan s SER 61 Ca 0.00 1.74 0.00 0.00 0.48 0.00 0.00 55.95 58.17 1nan s SER 61 Cb 0.00 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 1nan s SER 61 CO 0.00 -0.67 0.52 -0.36 0.98 0.00 0.00 173.24 173.71 1nan s PHE 62 N -2.31 3.49 0.07 5.02 0.40 0.43 -0.82 117.98 124.26 1nan s PHE 62 Ca 0.63 0.36 -0.11 0.00 -0.60 0.00 0.00 56.93 57.20 1nan s PHE 62 Cb -0.12 -1.89 0.01 0.00 0.51 0.00 0.00 43.02 41.52 1nan s PHE 62 CO 0.24 0.18 0.24 1.52 0.70 0.00 0.00 175.22 178.10 1nan s TYR 63 N -2.22 0.02 -0.14 0.36 -0.85 -0.45 -2.67 117.35 111.40 1nan s TYR 63 Ca 0.40 -0.30 -0.29 0.00 -0.52 0.00 0.00 57.07 56.36 1nan s TYR 63 Cb -0.10 0.02 0.09 0.00 0.38 0.00 0.00 41.96 42.35 1nan s TYR 63 CO 0.34 -0.51 0.79 -1.50 -1.52 0.00 0.00 175.55 173.15 1nan s ILE 64 N -3.12 0.00 -0.18 -3.49 2.07 -0.28 -2.43 121.20 113.77 1nan s ILE 64 Ca -0.01 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.21 1nan s ILE 64 Cb 0.01 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.60 1nan s ILE 64 CO -0.07 0.00 -0.10 -0.22 -1.91 0.00 0.00 174.94 172.64 1nan s LEU 65 N -0.77 2.72 -0.01 8.50 2.96 -1.26 -0.75 118.68 130.08 1nan s LEU 65 Ca -0.06 -0.40 -0.01 0.00 -0.22 0.00 0.00 54.13 53.44 1nan s LEU 65 Cb -0.01 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 1nan s LEU 65 CO 0.05 0.05 0.08 0.00 -1.32 0.00 0.00 176.35 175.21 1nan s ALA 66 N 1.03 3.57 0.06 5.97 0.00 0.60 -0.20 121.76 132.80 1nan s ALA 66 Ca -0.00 -0.86 -0.16 0.00 0.00 0.00 0.00 51.96 50.93 1nan s ALA 66 Cb -0.15 -1.58 0.03 0.00 0.00 0.00 0.00 23.12 21.42 1nan s ALA 66 CO -0.01 0.68 0.38 -3.38 0.00 0.00 0.00 175.76 173.43 1nan s HIS 67 N -1.17 -0.20 -0.04 0.00 -3.43 0.20 0.86 115.29 111.50 1nan s HIS 67 Ca 0.22 0.07 -0.18 0.00 -0.80 0.00 0.00 55.06 54.37 1nan s HIS 67 Cb -0.12 0.19 0.04 0.00 -1.43 0.00 0.00 32.58 31.26 1nan s HIS 67 CO 0.13 -0.59 0.40 -0.08 -2.00 0.00 0.00 174.74 172.61 1nan s THR 68 N -2.84 0.04 0.16 -5.38 -1.32 -0.56 -0.01 115.64 105.73 1nan s THR 68 Ca -0.03 -0.31 -0.30 0.00 -1.21 0.00 0.00 61.69 59.83 1nan s THR 68 Cb 0.00 -0.70 -0.08 0.00 -1.51 0.00 0.00 72.50 70.22 1nan s THR 68 CO -0.05 -0.17 1.22 -1.61 -2.21 0.00 0.00 174.62 171.80 1nan s GLU 69 N -1.11 4.46 0.09 7.08 2.02 -1.26 -0.78 118.70 129.20 1nan s GLU 69 Ca -0.11 1.89 -0.13 0.00 0.02 0.00 0.00 54.97 56.64 1nan s GLU 69 Cb -0.04 -3.25 0.02 0.00 0.10 0.00 0.00 34.13 30.96 1nan s GLU 69 CO 0.05 -0.15 0.30 -0.59 0.02 0.00 0.00 175.26 174.89 1nan s PHE 70 N 0.23 -0.05 -0.31 1.61 -0.71 -0.49 -4.90 117.98 113.35 1nan s PHE 70 Ca 0.55 -0.28 0.03 0.00 -1.04 0.00 0.00 56.93 56.20 1nan s PHE 70 Cb -0.33 0.10 0.09 0.00 -1.21 0.00 0.00 43.02 41.67 1nan s PHE 70 CO 0.35 -0.60 0.00 0.99 -1.34 0.00 0.00 175.22 174.62 1nan s THR 71 N -3.58 2.14 0.54 -4.49 2.01 -1.26 0.09 115.64 111.09 1nan s THR 71 Ca 0.02 -2.04 -0.22 0.00 0.31 0.00 0.00 61.69 59.76 1nan s THR 71 Cb 0.03 -2.48 -0.05 0.00 0.01 0.00 0.00 72.50 70.01 1nan s THR 71 CO -0.10 -0.42 1.33 -2.16 -0.69 0.00 0.00 174.62 172.58 1nan s PRO 72 N 1.02 3.20 0.27 4.92 0.04 -1.26 -4.76 135.00 138.43 1nan s PRO 72 Ca 0.05 2.18 0.02 0.00 0.04 0.00 0.00 61.00 63.28 1nan s PRO 72 Cb -0.19 -2.26 -0.01 0.00 0.04 0.00 0.00 34.50 32.08 1nan s PRO 72 CO -0.08 -1.12 0.07 0.25 0.04 0.00 0.00 177.00 176.15 1nan n THR 73 N -0.99 0.00 -0.05 1.26 -2.24 -1.26 -1.46 114.28 109.55 1nan n THR 73 Ca 0.10 -1.47 -0.08 0.00 -2.27 0.00 0.00 64.05 60.33 1nan n THR 73 Cb 0.45 0.47 -0.02 0.00 -2.10 0.00 0.00 70.33 69.13 1nan n THR 73 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1nan h GLU 74 N 0.00 0.01 0.00 -0.78 4.57 -1.97 -3.36 114.58 113.04 1nan h GLU 74 Ca -0.21 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.97 1nan h GLU 74 Cb 0.76 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 1nan h GLU 74 CO 0.34 0.00 -1.06 0.25 -1.18 0.00 0.00 179.01 177.36 1nan n THR 75 N -5.20 0.00 -1.79 0.32 -2.24 -1.26 -4.99 114.28 99.12 1nan n THR 75 Ca -0.02 -0.23 -0.42 0.00 -2.27 0.00 0.00 64.05 61.11 1nan n THR 75 Cb 0.13 0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 68.87 1nan n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1nan s ASP 76 N -2.60 6.44 -0.13 3.42 1.01 -1.26 -4.97 116.67 118.58 1nan s ASP 76 Ca -0.01 2.79 -0.10 0.00 0.71 0.00 0.00 52.55 55.94 1nan s ASP 76 Cb 0.06 -2.60 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 1nan s ASP 76 CO 0.36 -0.93 0.21 -0.89 0.21 0.00 0.00 175.17 174.13 1nan s THR 77 N 1.18 5.37 0.10 -1.27 2.01 -1.26 -4.77 115.64 116.99 1nan s THR 77 Ca 0.73 0.38 0.10 0.00 0.31 0.00 0.00 61.69 63.21 1nan s THR 77 Cb -0.48 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.48 1nan s THR 77 CO 0.32 0.51 -0.26 -0.31 -0.69 0.00 0.00 174.62 174.20 1nan s TYR 78 N -0.33 2.21 0.15 4.92 1.51 -1.26 -0.33 117.35 124.22 1nan s TYR 78 Ca 0.15 -0.39 -0.14 0.00 -1.01 0.00 0.00 57.07 55.67 1nan s TYR 78 Cb -0.13 -1.24 0.02 0.00 -0.11 0.00 0.00 41.96 40.50 1nan s TYR 78 CO 0.04 0.25 0.39 0.00 -1.11 0.00 0.00 175.55 175.12 1nan s ALA 79 N -0.98 -0.66 -0.08 3.71 0.00 -0.31 -1.25 121.76 122.19 1nan s ALA 79 Ca 0.12 -0.35 0.04 0.00 0.00 0.00 0.00 51.96 51.77 1nan s ALA 79 Cb -0.10 0.76 0.00 0.00 0.00 0.00 0.00 23.12 23.78 1nan s ALA 79 CO 0.04 -0.68 -0.21 0.00 0.00 0.00 0.00 175.76 174.91 1nan s ARG 81 N 0.33 3.09 -0.09 0.00 3.52 0.15 -1.17 118.95 124.78 1nan s ARG 81 Ca -0.15 -0.85 0.03 0.00 -0.13 0.00 0.00 55.73 54.62 1nan s ARG 81 Cb -0.17 -2.35 0.01 0.00 -1.56 0.00 0.00 34.95 30.89 1nan s ARG 81 CO 0.07 0.19 -0.17 0.08 -0.81 0.00 0.00 175.30 174.66 1nan s VAL 82 N 0.33 1.51 -0.20 7.11 1.01 -0.26 0.08 120.40 129.97 1nan s VAL 82 Ca -0.17 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 1nan s VAL 82 Cb -0.18 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 1nan s VAL 82 CO 0.08 0.44 -0.04 -0.75 0.00 0.00 0.00 175.10 174.83 1nan s LYS 83 N 0.65 3.45 0.02 2.72 2.20 0.13 -1.03 119.74 127.88 1nan s LYS 83 Ca -0.14 -0.60 -0.13 0.00 -0.36 0.00 0.00 55.97 54.74 1nan s LYS 83 Cb -0.16 -2.97 0.02 0.00 -1.51 0.00 0.00 37.83 33.20 1nan s LYS 83 CO 0.04 -0.07 0.27 -1.58 -0.36 0.00 0.00 175.35 173.65 1nan s HIS 84 N 1.15 -0.08 -0.34 4.03 2.46 -1.26 -2.43 115.29 118.81 1nan s HIS 84 Ca 0.02 0.02 0.27 0.00 0.47 0.00 0.00 55.06 55.84 1nan s HIS 84 Cb -0.15 0.05 0.86 0.00 -0.13 0.00 0.00 32.58 33.22 1nan s HIS 84 CO -0.00 -0.42 1.78 -0.44 -2.47 0.00 0.00 174.74 173.18 1nan h ASP 85 N 3.62 0.00 0.20 9.88 5.19 -1.94 -2.16 116.42 131.21 1nan h ASP 85 Ca -0.31 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.09 1nan h ASP 85 Cb 1.19 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.70 1nan h ASP 85 CO 0.44 0.00 -0.06 0.77 -3.12 0.00 0.00 179.24 177.27 1nan h SER 86 N 0.00 0.00 -3.53 6.45 4.64 -1.87 -3.44 113.55 115.80 1nan h SER 86 Ca 0.00 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.65 1nan h SER 86 Cb 0.69 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 62.54 1nan h SER 86 CO 0.00 0.06 -0.73 -0.04 -0.87 0.00 0.00 176.83 175.25 1nan s MET 87 N -4.37 3.14 0.21 4.77 -1.94 -0.81 -4.92 119.30 115.37 1nan s MET 87 Ca -0.04 -0.63 -0.12 0.00 -1.71 0.00 0.00 55.69 53.20 1nan s MET 87 Cb 0.14 -2.63 0.27 0.00 2.01 0.00 0.00 34.83 34.62 1nan s MET 87 CO 0.56 0.39 1.67 0.00 -0.01 0.00 0.00 175.02 177.63 1nan h ALA 88 N 6.13 0.57 -2.72 3.03 0.00 -1.85 -3.44 119.26 120.98 1nan h ALA 88 Ca -0.36 0.17 -0.55 0.00 0.00 0.00 0.00 54.91 54.18 1nan h ALA 88 Cb 1.19 0.30 -0.17 0.00 0.00 0.00 0.00 17.79 19.11 1nan h ALA 88 CO 0.55 -0.39 -0.78 -1.83 0.00 0.00 0.00 179.25 176.81 1nan s GLU 89 N -6.15 1.40 0.25 0.00 4.04 -1.26 -5.09 118.70 111.88 1nan s GLU 89 Ca -0.13 -1.52 -0.31 0.00 0.04 0.00 0.00 54.97 53.04 1nan s GLU 89 Cb 0.18 -1.47 -0.13 0.00 0.02 0.00 0.00 34.13 32.74 1nan s GLU 89 CO 0.73 0.29 1.46 -2.30 -1.84 0.00 0.00 175.26 173.60 1nan n PRO 90 N 0.01 2.21 -4.07 -4.83 -0.02 -1.26 -4.79 135.00 122.25 1nan n PRO 90 Ca -0.11 0.79 -0.35 0.00 -2.02 0.00 0.00 63.50 61.81 1nan n PRO 90 Cb 0.58 -2.48 -0.09 0.00 -0.02 0.00 0.00 33.50 31.49 1nan n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1nan s LYS 91 N -0.39 3.57 -0.14 -0.52 2.47 -0.19 -4.91 119.74 119.62 1nan s LYS 91 Ca 0.67 -0.30 0.01 0.00 -1.56 0.00 0.00 55.97 54.79 1nan s LYS 91 Cb -0.61 -3.10 0.00 0.00 -1.46 0.00 0.00 37.83 32.67 1nan s LYS 91 CO 0.49 0.53 -0.18 0.99 0.16 0.00 0.00 175.35 177.34 1nan s THR 92 N -0.35 2.48 -0.14 3.43 2.01 -1.26 -1.11 115.64 120.69 1nan s THR 92 Ca 0.09 -0.84 0.02 0.00 0.31 0.00 0.00 61.69 61.27 1nan s THR 92 Cb -0.12 -2.02 0.01 0.00 0.01 0.00 0.00 72.50 70.38 1nan s THR 92 CO 0.02 0.53 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.58 1nan s VAL 93 N 0.72 1.99 -0.02 3.82 1.01 -0.32 -4.96 120.40 122.63 1nan s VAL 93 Ca -0.08 -0.93 -0.17 0.00 0.00 0.00 0.00 61.98 60.81 1nan s VAL 93 Cb -0.16 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 1nan s VAL 93 CO 0.01 0.53 0.47 -0.31 0.00 0.00 0.00 175.10 175.80 1nan s TYR 94 N 0.95 3.68 0.10 5.22 2.02 -1.26 -1.25 117.35 126.80 1nan s TYR 94 Ca -0.04 1.03 -0.34 0.00 -0.37 0.00 0.00 57.07 57.34 1nan s TYR 94 Cb -0.15 -2.42 -0.13 0.00 -0.40 0.00 0.00 41.96 38.85 1nan s TYR 94 CO -0.04 0.48 1.64 1.87 -1.57 0.00 0.00 175.55 177.92 1nan n TRP 95 N 2.40 2.27 -4.02 2.71 -0.00 -0.38 -4.89 117.44 115.52 1nan n TRP 95 Ca -0.11 0.21 -0.31 0.00 -0.00 0.00 0.00 57.50 57.30 1nan n TRP 95 Cb 0.52 -2.57 -0.16 0.00 -0.00 0.00 0.00 31.31 29.10 1nan n TRP 95 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 177.69 178.03 1nan s ASP 96 N 1.61 3.57 0.10 5.87 -1.08 -1.26 -4.75 116.67 120.73 1nan s ASP 96 Ca 0.82 -0.96 0.13 0.00 -0.52 0.00 0.00 52.55 52.02 1nan s ASP 96 Cb -0.69 -1.32 0.60 0.00 -1.46 0.00 0.00 42.92 40.05 1nan s ASP 96 CO 0.41 -0.14 1.41 -2.11 0.52 0.00 0.00 175.17 175.26 1nan n ARG 97 N 4.63 0.06 -0.30 4.34 1.85 -1.26 -1.19 116.66 124.79 1nan n ARG 97 Ca -0.15 0.41 0.07 0.00 -1.00 0.00 0.00 57.85 57.18 1nan n ARG 97 Cb 0.46 -1.64 0.21 0.00 -1.05 0.00 0.00 32.46 30.44 1nan n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1nan n ASP 98 N -1.76 2.75 0.00 2.89 8.00 -1.26 -4.88 116.55 122.29 1nan n ASP 98 Ca 0.02 -2.11 0.00 0.00 0.71 0.00 0.00 54.79 53.41 1nan n ASP 98 Cb 0.11 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 1nan n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04