#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bpn s PRO 2 N 0.00 3.84 0.42 0.00 0.04 -1.26 -5.06 135.00 132.98 2bpn s PRO 2 Ca 0.00 0.76 -0.14 0.00 0.04 0.00 0.00 61.00 61.66 2bpn s PRO 2 Cb 0.00 -2.21 -0.08 0.00 0.04 0.00 0.00 34.50 32.25 2bpn s PRO 2 CO 0.00 -0.24 0.84 0.15 0.04 0.00 0.00 177.00 177.79 2bpn s LYS 3 N -4.17 3.93 0.13 4.56 -0.14 -1.26 -4.96 119.74 117.83 2bpn s LYS 3 Ca 0.56 0.72 -0.33 0.00 -1.36 0.00 0.00 55.97 55.55 2bpn s LYS 3 Cb -0.10 -2.31 -0.18 0.00 -1.68 0.00 0.00 37.83 33.56 2bpn s LYS 3 CO 0.35 -0.05 0.87 0.00 -0.76 0.00 0.00 175.35 175.75 2bpn n ALA 4 N -1.09 -2.56 -1.76 5.17 0.00 -1.26 -4.94 120.51 114.08 2bpn n ALA 4 Ca 0.04 0.50 -0.30 0.00 0.00 0.00 0.00 53.44 53.68 2bpn n ALA 4 Cb 0.54 -1.77 0.18 0.00 0.00 0.00 0.00 19.45 18.40 2bpn n ALA 4 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2bpn s PRO 5 N -0.54 0.44 0.26 0.00 0.04 -1.26 -5.05 135.00 128.90 2bpn s PRO 5 Ca 0.75 -0.27 -0.15 0.00 0.04 0.00 0.00 61.00 61.36 2bpn s PRO 5 Cb -1.02 -1.81 -0.08 0.00 0.04 0.00 0.00 34.50 31.63 2bpn s PRO 5 CO 0.56 -2.57 0.69 0.00 0.04 0.00 0.00 177.00 175.72 2bpn s ALA 6 N -3.68 3.41 1.02 8.56 0.00 -1.26 -4.91 121.76 124.91 2bpn s ALA 6 Ca 0.72 0.02 -0.22 0.00 0.00 0.00 0.00 51.96 52.48 2bpn s ALA 6 Cb -0.06 -2.71 -0.09 0.00 0.00 0.00 0.00 23.12 20.26 2bpn s ALA 6 CO 0.53 0.37 -0.81 -0.25 0.00 0.00 0.00 175.76 175.60 2bpn n ASP 7 N 0.09 -3.43 0.00 0.00 8.00 -1.26 -4.54 116.55 115.41 2bpn n ASP 7 Ca 0.01 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.55 2bpn n ASP 7 Cb 0.52 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 40.88 2bpn n ASP 7 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2bpn n GLY 8 N 2.93 1.70 3.52 0.44 0.00 -1.26 -5.08 105.19 107.45 2bpn n GLY 8 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2bpn n GLY 8 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2bpn s LEU 9 N 0.00 3.72 -0.01 0.99 2.96 -1.26 -5.07 118.68 120.01 2bpn s LEU 9 Ca 0.00 -0.10 0.03 0.00 -0.22 0.00 0.00 54.13 53.84 2bpn s LEU 9 Cb 0.00 -2.01 -0.01 0.00 0.50 0.00 0.00 46.19 44.67 2bpn s LEU 9 CO 0.00 -0.02 -0.09 -1.59 -1.32 0.00 0.00 176.35 173.33 2bpn s LYS 10 N 1.57 0.75 -0.26 1.98 0.00 -1.26 -1.60 119.74 120.91 2bpn s LYS 10 Ca 0.06 -0.32 -0.08 0.00 0.00 0.00 0.00 55.97 55.63 2bpn s LYS 10 Cb -0.15 -0.72 -0.03 0.00 0.00 0.00 0.00 37.83 36.93 2bpn s LYS 10 CO 0.06 0.19 0.09 -1.64 0.00 0.00 0.00 175.35 174.05 2bpn s MET 11 N -0.19 3.64 -0.40 1.78 -1.94 0.11 -4.93 119.30 117.37 2bpn s MET 11 Ca 0.03 -0.49 0.10 0.00 -1.71 0.00 0.00 55.69 53.63 2bpn s MET 11 Cb -0.04 -3.37 0.35 0.00 2.01 0.00 0.00 34.83 33.78 2bpn s MET 11 CO -0.00 -0.21 0.91 -0.85 -0.01 0.00 0.00 175.02 174.86 2bpn n GLU 12 N 4.94 1.01 0.05 2.03 0.28 -1.26 0.19 120.64 127.89 2bpn n GLU 12 Ca -0.16 -2.81 -0.12 0.00 -0.16 0.00 0.00 57.16 53.91 2bpn n GLU 12 Cb 0.51 -1.36 -0.13 0.00 1.43 0.00 0.00 31.44 31.89 2bpn n GLU 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2bpn h ALA 13 N 2.95 0.36 -3.00 -1.84 0.00 -1.94 -3.46 119.26 112.34 2bpn h ALA 13 Ca -0.00 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 53.82 2bpn h ALA 13 Cb 1.05 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2bpn h ALA 13 CO 0.35 1.23 0.00 0.25 0.00 0.00 0.00 179.25 181.08 2bpn n THR 14 N -3.36 0.00 -0.11 0.00 -2.24 -1.26 -4.95 114.28 102.36 2bpn n THR 14 Ca -0.11 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.66 2bpn n THR 14 Cb 1.01 -0.89 0.19 0.00 -2.10 0.00 0.00 70.33 68.54 2bpn n THR 14 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2bpn n LYS 15 N 0.00 2.75 -3.38 -0.78 5.02 -1.26 -4.65 118.16 115.86 2bpn n LYS 15 Ca 0.00 -1.73 -0.13 0.00 -2.02 0.00 0.00 58.31 54.43 2bpn n LYS 15 Cb 0.00 -1.85 -0.09 0.00 -0.02 0.00 0.00 35.03 33.07 2bpn n LYS 15 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2bpn s GLN 16 N -1.94 0.32 0.01 1.97 -1.52 -1.26 -5.13 119.66 112.11 2bpn s GLN 16 Ca 0.31 0.18 -0.29 0.00 -1.95 0.00 0.00 55.36 53.60 2bpn s GLN 16 Cb 0.24 -0.63 -0.03 0.00 -0.22 0.00 0.00 33.01 32.36 2bpn s GLN 16 CO 0.08 -0.85 0.95 -1.25 -0.25 0.00 0.00 175.29 173.97 2bpn s PRO 17 N 2.45 4.56 -0.11 2.91 0.04 -1.26 -4.57 135.00 139.02 2bpn s PRO 17 Ca 0.10 1.37 -0.01 0.00 0.04 0.00 0.00 61.00 62.49 2bpn s PRO 17 Cb -0.14 -3.45 0.03 0.00 0.04 0.00 0.00 34.50 30.98 2bpn s PRO 17 CO -0.23 -0.00 -0.01 0.08 0.04 0.00 0.00 177.00 176.88 2bpn s VAL 18 N 0.85 0.54 0.35 -0.36 1.01 0.52 -4.81 120.40 118.49 2bpn s VAL 18 Ca 0.50 -0.11 -0.18 0.00 0.00 0.00 0.00 61.98 62.19 2bpn s VAL 18 Cb -0.21 -0.74 -0.10 0.00 0.00 0.00 0.00 36.38 35.33 2bpn s VAL 18 CO 0.27 0.18 0.81 0.54 0.00 0.00 0.00 175.10 176.91 2bpn s VAL 19 N 1.89 4.55 -0.24 2.92 0.11 -1.26 0.05 120.40 128.43 2bpn s VAL 19 Ca 0.04 1.20 -0.06 0.00 -2.93 0.00 0.00 61.98 60.22 2bpn s VAL 19 Cb -0.13 -3.65 0.12 0.00 -1.53 0.00 0.00 36.38 31.19 2bpn s VAL 19 CO -0.06 -0.18 0.47 0.12 -3.33 0.00 0.00 175.10 172.12 2bpn s PHE 20 N -1.99 -1.00 -0.18 1.54 2.19 -0.63 -4.91 117.98 113.00 2bpn s PHE 20 Ca 0.56 1.57 -0.09 0.00 0.33 0.00 0.00 56.93 59.29 2bpn s PHE 20 Cb -0.11 0.37 -0.05 0.00 -1.31 0.00 0.00 43.02 41.93 2bpn s PHE 20 CO 0.17 -0.61 0.12 -0.80 1.83 0.00 0.00 175.22 175.93 2bpn s ASN 21 N 2.68 6.13 0.48 6.13 0.02 -1.26 -4.24 114.94 124.88 2bpn s ASN 21 Ca 0.03 0.24 0.13 0.00 -1.02 0.00 0.00 52.86 52.24 2bpn s ASN 21 Cb -0.13 -2.06 1.13 0.00 0.02 0.00 0.00 41.25 40.21 2bpn s ASN 21 CO -0.15 0.21 2.11 0.45 0.02 0.00 0.00 177.10 179.74 2bpn h HIS 22 N 6.41 0.19 -0.92 2.20 3.86 -1.91 -1.45 115.15 123.53 2bpn h HIS 22 Ca -0.42 0.00 0.08 0.00 -1.16 0.00 0.00 60.37 58.87 2bpn h HIS 22 Cb 1.16 -0.06 -0.07 0.00 1.06 0.00 0.00 27.41 29.50 2bpn h HIS 22 CO 0.60 0.12 0.58 0.66 0.86 0.00 0.00 177.93 180.74 2bpn h SER 23 N 0.20 0.89 -0.01 2.45 4.64 -1.93 0.69 113.55 120.49 2bpn h SER 23 Ca 0.07 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2bpn h SER 23 Cb 0.03 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 2bpn h SER 23 CO -0.01 0.55 0.00 0.35 -0.87 0.00 0.00 176.83 176.84 2bpn n THR 24 N -4.60 0.01 -2.68 2.95 -2.24 -0.56 -3.56 114.28 103.60 2bpn n THR 24 Ca 0.14 -0.03 -0.08 0.00 -2.27 0.00 0.00 64.05 61.82 2bpn n THR 24 Cb 0.22 -0.35 0.06 0.00 -2.10 0.00 0.00 70.33 68.17 2bpn n THR 24 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2bpn n HIS 25 N -0.82 -0.17 0.66 4.78 8.25 0.16 -4.87 115.22 123.22 2bpn n HIS 25 Ca 0.21 -2.46 0.08 0.00 -0.26 0.00 0.00 57.72 55.29 2bpn n HIS 25 Cb 0.12 0.35 -0.10 0.00 1.12 0.00 0.00 29.99 31.48 2bpn n HIS 25 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 2bpn n LYS 26 N -0.27 1.39 -1.09 -0.41 2.85 0.19 -4.30 118.16 116.52 2bpn n LYS 26 Ca 0.04 -0.02 -0.22 0.00 -1.05 0.00 0.00 58.31 57.06 2bpn n LYS 26 Cb 0.83 -1.30 0.14 0.00 -0.65 0.00 0.00 35.03 34.06 2bpn n LYS 26 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2bpn n SER 27 N -1.49 4.19 -3.89 -5.58 7.64 -1.26 -4.86 113.62 108.37 2bpn n SER 27 Ca 0.02 -3.43 -0.16 0.00 1.01 0.00 0.00 58.87 56.31 2bpn n SER 27 Cb 0.28 -0.82 -0.15 0.00 -1.01 0.00 0.00 64.21 62.51 2bpn n SER 27 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2bpn s VAL 28 N -3.05 0.30 0.12 0.44 1.01 -1.26 -5.11 120.40 112.85 2bpn s VAL 28 Ca 0.50 -0.07 -0.35 0.00 0.00 0.00 0.00 61.98 62.07 2bpn s VAL 28 Cb 0.42 -0.32 -0.15 0.00 0.00 0.00 0.00 36.38 36.34 2bpn s VAL 28 CO 0.08 0.13 1.52 1.17 0.00 0.00 0.00 175.10 178.00 2bpn n LYS 29 N 3.59 1.83 0.14 2.72 4.81 -1.26 -4.78 118.16 125.20 2bpn n LYS 29 Ca -0.20 0.66 0.19 0.00 -0.87 0.00 0.00 58.31 58.09 2bpn n LYS 29 Cb 0.54 -2.39 0.78 0.00 0.02 0.00 0.00 35.03 33.98 2bpn n LYS 29 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2bpn n GLY 31 N -1.45 -0.91 0.08 0.00 0.00 -1.26 0.85 105.19 102.50 2bpn n GLY 31 Ca 0.05 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 2bpn n GLY 31 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2bpn h ASP 32 N 0.00 0.16 0.00 1.61 1.82 0.16 -3.34 116.42 116.83 2bpn h ASP 32 Ca 0.00 -0.20 -0.24 0.00 -0.39 0.00 0.00 57.03 56.20 2bpn h ASP 32 Cb 0.12 -0.05 -0.04 0.00 0.68 0.00 0.00 39.33 40.04 2bpn h ASP 32 CO 0.00 1.16 -1.86 0.00 -1.61 0.00 0.00 179.24 176.93 2bpn n HIS 34 N -3.36 3.95 -1.34 0.00 8.25 0.25 -5.02 115.22 117.94 2bpn n HIS 34 Ca -0.29 -3.17 -0.31 0.00 -0.26 0.00 0.00 57.72 53.69 2bpn n HIS 34 Cb 0.74 -1.83 0.08 0.00 1.12 0.00 0.00 29.99 30.11 2bpn n HIS 34 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2bpn s HIS 35 N -0.25 2.58 0.12 4.41 -3.43 -1.25 -4.15 115.29 113.31 2bpn s HIS 35 Ca 0.37 1.56 -0.31 0.00 -0.80 0.00 0.00 55.06 55.87 2bpn s HIS 35 Cb 0.01 -3.07 -0.09 0.00 -1.43 0.00 0.00 32.58 28.00 2bpn s HIS 35 CO 0.01 -1.78 1.54 -2.14 -2.00 0.00 0.00 174.74 170.36 2bpn s PRO 36 N -4.76 4.24 -0.12 -0.38 0.02 -1.26 -3.08 135.00 129.66 2bpn s PRO 36 Ca 0.62 2.27 -0.00 0.00 0.02 0.00 0.00 61.00 63.90 2bpn s PRO 36 Cb -0.18 -3.29 0.03 0.00 0.02 0.00 0.00 34.50 31.08 2bpn s PRO 36 CO 0.53 -0.59 -0.07 0.08 -0.33 0.00 0.00 177.00 176.62 2bpn s VAL 37 N 1.52 1.01 -1.17 3.83 1.01 -1.18 -4.75 120.40 120.68 2bpn s VAL 37 Ca 0.69 -0.33 -0.07 0.00 0.00 0.00 0.00 61.98 62.28 2bpn s VAL 37 Cb -0.41 -1.07 0.01 0.00 0.00 0.00 0.00 36.38 34.92 2bpn s VAL 37 CO 0.31 0.32 1.01 0.59 0.00 0.00 0.00 175.10 177.34 2bpn n ASN 38 N 4.94 -5.27 -3.58 3.32 5.03 -1.26 -2.84 115.26 115.60 2bpn n ASN 38 Ca -0.12 -0.48 -0.24 0.00 0.87 0.00 0.00 54.58 54.61 2bpn n ASN 38 Cb 0.50 -4.48 0.05 0.00 -1.02 0.00 0.00 39.78 34.82 2bpn n ASN 38 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bpn n GLY 39 N -1.72 -0.80 0.00 7.41 0.00 -1.26 -4.97 105.19 103.86 2bpn n GLY 39 Ca -0.03 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2bpn n GLY 39 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2bpn n LYS 40 N -3.97 0.00 -0.90 1.61 4.81 -1.13 -5.13 118.16 113.45 2bpn n LYS 40 Ca -0.16 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 56.93 2bpn n LYS 40 Cb 0.63 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.63 2bpn n LYS 40 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2bpn n GLU 41 N 0.00 0.00 -4.83 1.64 1.02 -1.26 -3.10 120.64 114.11 2bpn n GLU 41 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 2bpn n GLU 41 Cb 0.00 -0.89 -0.13 0.00 -0.02 0.00 0.00 31.44 30.40 2bpn n GLU 41 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2bpn s ASP 42 N 0.12 4.14 -0.06 1.62 -1.08 -1.18 -4.79 116.67 115.44 2bpn s ASP 42 Ca 0.55 -0.17 0.09 0.00 -0.52 0.00 0.00 52.55 52.49 2bpn s ASP 42 Cb -0.76 -0.97 0.15 0.00 -1.46 0.00 0.00 42.92 39.87 2bpn s ASP 42 CO 0.35 0.33 1.08 -1.22 0.52 0.00 0.00 175.17 176.23 2bpn n TYR 43 N 2.40 0.00 -2.39 -5.34 4.02 -1.26 -4.40 117.16 110.19 2bpn n TYR 43 Ca -0.17 -0.48 -0.24 0.00 -0.01 0.00 0.00 57.90 57.00 2bpn n TYR 43 Cb 0.52 -0.10 0.07 0.00 -0.02 0.00 0.00 39.34 39.81 2bpn n TYR 43 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2bpn s ARG 44 N -1.30 2.21 -0.30 -0.72 0.52 -1.26 -4.94 118.95 113.16 2bpn s ARG 44 Ca 0.16 -0.55 -0.44 0.00 -0.52 0.00 0.00 55.73 54.38 2bpn s ARG 44 Cb 0.14 -2.29 -0.20 0.00 0.52 0.00 0.00 34.95 33.12 2bpn s ARG 44 CO 0.00 -1.11 1.37 1.63 0.02 0.00 0.00 175.30 177.22 2bpn n LYS 45 N -2.73 0.00 -0.32 3.54 5.02 -1.26 -4.72 118.16 117.69 2bpn n LYS 45 Ca 0.09 0.00 0.23 0.00 -2.02 0.00 0.00 58.31 56.61 2bpn n LYS 45 Cb 0.60 -1.48 0.44 0.00 -0.02 0.00 0.00 35.03 34.57 2bpn n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bpn n GLY 47 N -1.32 1.47 1.51 0.00 0.00 -1.26 -3.94 105.19 101.65 2bpn n GLY 47 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 2bpn n GLY 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2bpn n THR 48 N 0.00 -2.53 -2.07 2.61 -1.04 -1.24 -3.44 114.28 106.58 2bpn n THR 48 Ca 0.00 1.26 -0.42 0.00 -2.04 0.00 0.00 64.05 62.85 2bpn n THR 48 Cb 0.00 -2.08 -0.03 0.00 -1.82 0.00 0.00 70.33 66.40 2bpn n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2bpn s ALA 49 N -5.16 3.61 0.00 2.41 0.00 -1.26 -2.36 121.76 119.00 2bpn s ALA 49 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.82 2bpn s ALA 49 Cb 0.00 -3.73 0.00 0.00 0.00 0.00 0.00 23.12 19.39 2bpn s ALA 49 CO 0.00 -1.38 0.00 0.41 0.00 0.00 0.00 175.76 174.79 2bpn n GLY 50 N 4.07 1.43 0.00 0.00 0.00 -1.26 -5.06 105.19 104.37 2bpn n GLY 50 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2bpn n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bpn s HIS 52 N 2.92 1.18 -0.20 0.00 3.76 -1.22 -4.56 115.29 117.15 2bpn s HIS 52 Ca 0.00 2.05 0.17 0.00 -0.15 0.00 0.00 55.06 57.13 2bpn s HIS 52 Cb 0.00 -3.42 -0.24 0.00 1.11 0.00 0.00 32.58 30.03 2bpn s HIS 52 CO 0.00 -1.32 0.45 -0.40 -0.85 0.00 0.00 174.74 172.62 2bpn n ASP 53 N 18.87 1.03 -4.69 1.40 5.75 -1.22 -4.12 116.55 133.57 2bpn n ASP 53 Ca 0.45 -0.21 -0.42 0.00 -0.01 0.00 0.00 54.79 54.60 2bpn n ASP 53 Cb 0.44 1.59 -0.03 0.00 -1.03 0.00 0.00 41.12 42.10 2bpn n ASP 53 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2bpn s SER 54 N -3.63 6.47 -0.39 -1.12 0.15 -1.17 -4.89 113.70 109.13 2bpn s SER 54 Ca -0.03 2.68 0.10 0.00 0.70 0.00 0.00 55.95 59.40 2bpn s SER 54 Cb 0.11 -2.56 0.31 0.00 -1.71 0.00 0.00 66.02 62.17 2bpn s SER 54 CO 0.70 -0.98 0.69 0.23 1.20 0.00 0.00 173.24 175.08 2bpn n MET 55 N 5.85 0.89 -2.49 5.44 2.81 -1.26 -0.79 117.12 127.56 2bpn n MET 55 Ca 0.17 -3.19 -0.05 0.00 -1.81 0.00 0.00 57.70 52.83 2bpn n MET 55 Cb 0.39 -1.51 -0.02 0.00 -0.71 0.00 0.00 33.22 31.38 2bpn n MET 55 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2bpn n ASP 56 N 0.68 0.16 -3.98 7.83 2.03 -1.26 -5.10 116.55 116.91 2bpn n ASP 56 Ca 0.22 -1.47 -0.31 0.00 0.52 0.00 0.00 54.79 53.74 2bpn n ASP 56 Cb 0.62 0.32 -0.13 0.00 -0.72 0.00 0.00 41.12 41.21 2bpn n ASP 56 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2bpn s LYS 57 N -2.31 2.09 0.00 -0.67 2.47 -1.26 -4.76 119.74 115.30 2bpn s LYS 57 Ca 0.08 -2.60 0.00 0.00 -1.56 0.00 0.00 55.97 51.89 2bpn s LYS 57 Cb 0.00 -3.40 0.00 0.00 -1.46 0.00 0.00 37.83 32.97 2bpn s LYS 57 CO 0.05 -1.12 0.00 1.63 0.16 0.00 0.00 175.35 176.07 2bpn n LYS 58 N 3.20 0.00 -1.68 4.03 5.02 -1.26 -5.12 118.16 122.35 2bpn n LYS 58 Ca 0.06 0.00 -0.45 0.00 -2.02 0.00 0.00 58.31 55.90 2bpn n LYS 58 Cb 0.33 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.31 2bpn n LYS 58 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2bpn n ASP 59 N 0.00 3.59 -0.19 4.39 2.03 -1.26 -4.85 116.55 120.26 2bpn n ASP 59 Ca 0.00 1.03 0.02 0.00 0.52 0.00 0.00 54.79 56.36 2bpn n ASP 59 Cb 0.00 -1.47 0.05 0.00 -0.72 0.00 0.00 41.12 38.97 2bpn n ASP 59 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2bpn n LYS 60 N 4.80 2.95 -0.50 -0.67 5.02 -1.26 -4.69 118.16 123.82 2bpn n LYS 60 Ca 0.18 -1.66 -0.29 0.00 -2.02 0.00 0.00 58.31 54.52 2bpn n LYS 60 Cb 0.32 -1.08 0.25 0.00 -0.02 0.00 0.00 35.03 34.50 2bpn n LYS 60 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2bpn n SER 61 N -0.19 -1.85 -0.12 4.39 7.64 -1.26 -4.68 113.62 117.56 2bpn n SER 61 Ca 0.04 -0.16 0.21 0.00 1.01 0.00 0.00 58.87 59.96 2bpn n SER 61 Cb 0.30 -1.22 0.63 0.00 -1.01 0.00 0.00 64.21 62.92 2bpn n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bpn h ALA 62 N -2.63 2.47 -0.07 -0.43 0.00 -1.96 0.86 119.26 117.50 2bpn h ALA 62 Ca -0.61 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 2bpn h ALA 62 Cb 1.34 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 2bpn h ALA 62 CO 0.48 -0.68 -0.05 0.87 0.00 0.00 0.00 179.25 179.87 2bpn h LYS 63 N 0.15 0.10 -6.10 0.00 1.57 -1.92 -3.43 116.57 106.95 2bpn h LYS 63 Ca 0.36 -0.01 -0.71 0.00 -1.87 0.00 0.00 60.65 58.41 2bpn h LYS 63 Cb 1.19 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2bpn h LYS 63 CO -0.05 0.17 1.12 0.41 -0.57 0.00 0.00 179.45 180.52 2bpn n GLY 64 N -1.25 0.73 0.24 3.86 0.00 0.30 -3.06 105.19 106.02 2bpn n GLY 64 Ca -0.02 0.94 -0.13 0.00 0.00 0.00 0.00 46.02 46.81 2bpn n GLY 64 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2bpn h TYR 65 N 9.19 1.00 -0.01 1.61 3.20 -1.23 -2.56 116.97 128.19 2bpn h TYR 65 Ca -0.38 -0.30 0.00 0.00 3.14 0.00 0.00 58.73 61.19 2bpn h TYR 65 Cb 1.32 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.38 2bpn h TYR 65 CO 0.86 1.10 -0.07 0.98 -1.64 0.00 0.00 178.16 179.38 2bpn n TYR 66 N -4.15 0.00 0.87 -3.82 4.19 -1.26 -3.12 117.16 109.87 2bpn n TYR 66 Ca -0.03 0.00 0.11 0.00 3.31 0.00 0.00 57.90 61.29 2bpn n TYR 66 Cb 0.51 -0.10 0.01 0.00 0.49 0.00 0.00 39.34 40.25 2bpn n TYR 66 CO 0.00 0.00 0.00 1.58 0.91 0.00 0.00 176.86 179.35 2bpn n HIS 67 N -0.69 0.05 -0.69 2.98 -0.00 -1.03 -3.51 115.22 112.34 2bpn n HIS 67 Ca 0.17 0.01 0.08 0.00 0.46 0.00 0.00 57.72 58.45 2bpn n HIS 67 Cb 0.27 -0.18 0.29 0.00 -0.12 0.00 0.00 29.99 30.26 2bpn n HIS 67 CO 0.00 0.00 0.00 1.33 0.46 0.00 0.00 176.34 178.13 2bpn n VAL 68 N -1.62 1.93 -2.17 3.57 0.24 -0.99 -3.99 118.33 115.30 2bpn n VAL 68 Ca 0.04 -1.40 -0.03 0.00 -2.04 0.00 0.00 64.34 60.90 2bpn n VAL 68 Cb 0.36 0.03 -0.04 0.00 -1.47 0.00 0.00 33.84 32.73 2bpn n VAL 68 CO 0.00 0.00 0.00 1.15 -2.14 0.00 0.00 176.83 175.84 2bpn n MET 69 N 0.44 0.00 0.00 7.34 -0.00 -1.25 -4.62 117.12 119.03 2bpn n MET 69 Ca 0.22 -1.33 0.00 0.00 -0.00 0.00 0.00 57.70 56.59 2bpn n MET 69 Cb 0.84 0.33 0.00 0.00 -0.00 0.00 0.00 33.22 34.39 2bpn n MET 69 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 2bpn n HIS 70 N 0.17 -0.95 -1.10 3.17 -0.00 -1.23 -3.97 115.22 111.31 2bpn n HIS 70 Ca -0.17 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.19 2bpn n HIS 70 Cb 0.85 0.25 0.05 0.00 -0.00 0.00 0.00 29.99 31.14 2bpn n HIS 70 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2bpn n ASP 71 N -1.74 -3.64 -0.02 0.41 8.00 -1.26 -3.37 116.55 114.93 2bpn n ASP 71 Ca 0.00 0.42 0.02 0.00 0.71 0.00 0.00 54.79 55.94 2bpn n ASP 71 Cb 0.00 -0.96 -0.02 0.00 -0.02 0.00 0.00 41.12 40.12 2bpn n ASP 71 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 2bpn n LYS 72 N 0.83 5.06 -1.71 -1.24 0.00 -1.26 -4.45 118.16 115.39 2bpn n LYS 72 Ca 0.05 -0.08 -0.33 0.00 -0.00 0.00 0.00 58.31 57.95 2bpn n LYS 72 Cb 0.52 -0.72 -0.02 0.00 -0.00 0.00 0.00 35.03 34.81 2bpn n LYS 72 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2bpn n ASN 73 N -0.94 6.96 -4.59 -5.58 3.02 -1.26 -4.92 115.26 107.95 2bpn n ASN 73 Ca 0.01 -3.44 -0.26 0.00 -0.03 0.00 0.00 54.58 50.87 2bpn n ASN 73 Cb 0.06 -1.18 -0.10 0.00 -0.61 0.00 0.00 39.78 37.95 2bpn n ASN 73 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2bpn s THR 74 N -3.23 2.36 0.22 3.41 -4.23 -1.26 -5.03 115.64 107.88 2bpn s THR 74 Ca 0.56 -2.10 -0.08 0.00 -1.18 0.00 0.00 61.69 58.89 2bpn s THR 74 Cb 0.38 -2.73 0.19 0.00 1.34 0.00 0.00 72.50 71.68 2bpn s THR 74 CO -0.28 -0.18 1.86 0.50 -0.54 0.00 0.00 174.62 175.98 2bpn h LYS 75 N 1.91 1.16 -5.99 3.99 1.63 -1.98 -3.44 116.57 113.86 2bpn h LYS 75 Ca -0.42 -0.11 -0.55 0.00 -0.85 0.00 0.00 60.65 58.72 2bpn h LYS 75 Cb 1.25 -0.24 -0.07 0.00 -0.60 0.00 0.00 32.23 32.57 2bpn h LYS 75 CO 0.70 0.82 -0.48 -0.06 -3.45 0.00 0.00 179.45 176.98 2bpn s PHE 76 N -5.94 2.65 0.68 1.91 0.08 -1.26 -5.12 117.98 110.97 2bpn s PHE 76 Ca -0.13 -0.53 -0.12 0.00 0.12 0.00 0.00 56.93 56.27 2bpn s PHE 76 Cb 0.16 -1.94 0.00 0.00 -0.57 0.00 0.00 43.02 40.68 2bpn s PHE 76 CO 0.81 0.16 1.06 0.15 -0.10 0.00 0.00 175.22 177.30 2bpn s LYS 77 N -3.94 2.96 0.00 0.44 1.02 -1.26 -4.95 119.74 114.01 2bpn s LYS 77 Ca 0.42 1.04 0.00 0.00 0.02 0.00 0.00 55.97 57.45 2bpn s LYS 77 Cb 0.01 -1.99 0.00 0.00 -0.52 0.00 0.00 37.83 35.33 2bpn s LYS 77 CO 0.24 -1.09 0.00 0.43 -0.92 0.00 0.00 175.35 174.01 2bpn n SER 78 N -2.89 0.91 -0.12 2.83 7.64 -1.26 -4.89 113.62 115.84 2bpn n SER 78 Ca 0.08 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.74 2bpn n SER 78 Cb 0.53 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.65 2bpn n SER 78 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bpn h VAL 80 N -1.00 1.31 0.00 0.00 2.07 -1.74 -3.06 116.25 113.84 2bpn h VAL 80 Ca -0.43 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 65.04 2bpn h VAL 80 Cb 1.33 2.14 0.00 0.00 -1.52 0.00 0.00 31.29 33.23 2bpn h VAL 80 CO -0.26 0.57 0.00 0.61 0.02 0.00 0.00 177.57 178.51 2bpn n GLY 81 N 0.33 -2.75 0.31 2.17 0.00 -1.22 0.10 105.19 104.13 2bpn n GLY 81 Ca -0.01 0.12 0.04 0.00 0.00 0.00 0.00 46.02 46.18 2bpn n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bpn h HIS 83 N 0.02 0.89 -0.34 0.00 3.86 -1.40 0.36 115.15 118.54 2bpn h HIS 83 Ca 0.42 0.02 -0.17 0.00 -1.16 0.00 0.00 60.37 59.49 2bpn h HIS 83 Cb 0.69 -0.29 -0.00 0.00 1.06 0.00 0.00 27.41 28.87 2bpn h HIS 83 CO -0.61 0.38 -0.46 0.28 0.86 0.00 0.00 177.93 178.39 2bpn h VAL 84 N 0.80 1.27 0.00 2.45 2.07 0.95 1.13 116.25 124.92 2bpn h VAL 84 Ca 0.42 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 66.31 2bpn h VAL 84 Cb 0.52 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2bpn h VAL 84 CO -0.19 0.54 0.00 -0.62 0.02 0.00 0.00 177.57 177.33 2bpn n GLU 85 N -4.03 0.16 -0.11 1.57 -0.58 0.10 -3.57 120.64 114.17 2bpn n GLU 85 Ca -0.03 0.29 -0.20 0.00 -0.42 0.00 0.00 57.16 56.81 2bpn n GLU 85 Cb 0.58 -1.75 -0.07 0.00 -0.57 0.00 0.00 31.44 29.63 2bpn n GLU 85 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2bpn n VAL 86 N -2.04 1.51 -2.30 2.62 0.31 0.11 -5.00 118.33 113.54 2bpn n VAL 86 Ca 0.04 -0.12 -0.27 0.00 -0.01 0.00 0.00 64.34 63.98 2bpn n VAL 86 Cb 0.29 -2.11 0.04 0.00 -0.91 0.00 0.00 33.84 31.15 2bpn n VAL 86 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bpn s ALA 87 N -2.68 3.23 0.00 3.52 0.00 0.38 -4.63 121.76 121.59 2bpn s ALA 87 Ca -0.33 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 50.88 2bpn s ALA 87 Cb 0.09 -2.63 0.00 0.00 0.00 0.00 0.00 23.12 20.58 2bpn s ALA 87 CO 0.46 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.64 2bpn n GLY 88 N -2.72 3.24 0.28 0.00 0.00 -1.26 -4.61 105.19 100.12 2bpn n GLY 88 Ca 0.06 -0.64 0.14 0.00 0.00 0.00 0.00 46.02 45.58 2bpn n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bpn h ALA 89 N 0.00 1.29 -3.58 4.61 0.00 -1.94 -3.42 119.26 116.23 2bpn h ALA 89 Ca 0.00 -0.08 -0.58 0.00 0.00 0.00 0.00 54.91 54.25 2bpn h ALA 89 Cb 0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 17.79 17.57 2bpn h ALA 89 CO 0.00 0.11 -0.83 0.34 0.00 0.00 0.00 179.25 178.87 2bpn s ASP 90 N -6.06 2.73 -0.25 0.00 -1.08 -1.26 -5.02 116.67 105.74 2bpn s ASP 90 Ca -0.03 -0.73 0.04 0.00 -0.52 0.00 0.00 52.55 51.31 2bpn s ASP 90 Cb 0.13 -0.16 0.45 0.00 -1.46 0.00 0.00 42.92 41.88 2bpn s ASP 90 CO 0.56 0.07 1.51 0.00 0.52 0.00 0.00 175.17 177.83 2bpn n ALA 91 N 0.90 4.18 -0.08 3.66 0.00 -1.26 -3.60 120.51 124.30 2bpn n ALA 91 Ca -0.18 -1.67 0.00 0.00 0.00 0.00 0.00 53.44 51.59 2bpn n ALA 91 Cb 0.54 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.76 2bpn n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bpn n ALA 92 N -0.29 2.52 0.05 0.00 0.00 -1.26 -4.51 120.51 117.02 2bpn n ALA 92 Ca 0.33 -0.03 0.19 0.00 0.00 0.00 0.00 53.44 53.92 2bpn n ALA 92 Cb 1.14 0.00 0.71 0.00 0.00 0.00 0.00 19.45 21.30 2bpn n ALA 92 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2bpn h LYS 93 N 0.00 0.00 0.00 0.00 1.57 -1.99 1.50 116.57 117.65 2bpn h LYS 93 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2bpn h LYS 93 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2bpn h LYS 93 CO 0.00 0.00 0.00 0.36 -0.57 0.00 0.00 179.45 179.24 2bpn n LYS 94 N -4.27 0.12 -0.20 3.15 -0.00 -1.24 0.92 118.16 116.65 2bpn n LYS 94 Ca 0.08 0.12 0.07 0.00 -0.00 0.00 0.00 58.31 58.57 2bpn n LYS 94 Cb 0.53 -1.50 0.15 0.00 -0.00 0.00 0.00 35.03 34.22 2bpn n LYS 94 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2bpn n LYS 95 N -1.41 2.50 0.00 -1.58 4.81 0.51 -4.15 118.16 118.84 2bpn n LYS 95 Ca 0.07 -2.33 0.00 0.00 -0.87 0.00 0.00 58.31 55.18 2bpn n LYS 95 Cb 0.21 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 33.81 2bpn n LYS 95 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2bpn n ASP 96 N -0.53 0.24 -0.07 3.14 8.00 -0.77 -4.32 116.55 122.25 2bpn n ASP 96 Ca 0.13 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.50 2bpn n ASP 96 Cb 0.59 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.64 2bpn n ASP 96 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2bpn h LEU 97 N 0.00 0.67 -0.95 0.64 3.38 0.27 0.16 115.31 119.48 2bpn h LEU 97 Ca 0.00 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2bpn h LEU 97 Cb 0.17 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2bpn h LEU 97 CO 0.00 1.05 -0.48 0.35 0.09 0.00 0.00 178.44 179.45 2bpn n THR 98 N -4.29 0.00 -1.12 0.22 -2.24 -1.25 -4.76 114.28 100.83 2bpn n THR 98 Ca -0.05 -0.26 -0.31 0.00 -2.27 0.00 0.00 64.05 61.15 2bpn n THR 98 Cb 0.49 1.24 0.11 0.00 -2.10 0.00 0.00 70.33 70.07 2bpn n THR 98 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2bpn s GLY 99 N -2.42 1.75 0.00 3.38 0.00 -1.20 -4.98 107.32 103.85 2bpn s GLY 99 Ca 0.17 0.43 0.00 0.00 0.00 0.00 0.00 44.72 45.32 2bpn s GLY 99 CO 0.56 0.80 0.00 0.00 0.00 0.00 0.00 173.10 174.46 2bpn s LYS 101 N -0.44 4.21 -1.29 0.00 2.47 -1.25 -2.16 119.74 121.27 2bpn s LYS 101 Ca 0.00 2.14 -0.07 0.00 -1.56 0.00 0.00 55.97 56.47 2bpn s LYS 101 Cb 0.00 -3.81 0.01 0.00 -1.46 0.00 0.00 37.83 32.56 2bpn s LYS 101 CO 0.00 -0.76 1.12 1.63 0.16 0.00 0.00 175.35 177.50 2bpn n LYS 102 N 6.45 -7.52 -1.90 4.03 5.02 -1.08 -4.97 118.16 118.19 2bpn n LYS 102 Ca 0.16 0.80 -0.07 0.00 -2.02 0.00 0.00 58.31 57.19 2bpn n LYS 102 Cb 0.43 -5.76 0.01 0.00 -0.02 0.00 0.00 35.03 29.68 2bpn n LYS 102 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2bpn n SER 103 N -2.88 1.11 -1.72 4.39 3.41 -0.92 -4.91 113.62 112.10 2bpn n SER 103 Ca -0.03 -1.49 -0.14 0.00 -0.26 0.00 0.00 58.87 56.94 2bpn n SER 103 Cb 0.57 -0.06 0.10 0.00 -0.26 0.00 0.00 64.21 64.56 2bpn n SER 103 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2bpn n LYS 104 N -1.08 1.73 0.16 4.33 4.76 0.54 -3.61 118.16 125.00 2bpn n LYS 104 Ca 0.02 -1.72 0.00 0.00 -2.87 0.00 0.00 58.31 53.73 2bpn n LYS 104 Cb 0.17 -1.68 0.00 0.00 -1.84 0.00 0.00 35.03 31.69 2bpn n LYS 104 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2bpn n HIS 106 N -3.26 2.77 1.91 0.00 8.25 -1.23 -4.64 115.22 119.02 2bpn n HIS 106 Ca 0.00 -2.55 0.15 0.00 -0.26 0.00 0.00 57.72 55.06 2bpn n HIS 106 Cb 0.00 -1.23 0.91 0.00 1.12 0.00 0.00 29.99 30.78 2bpn n HIS 106 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13