#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bpn n PRO 2 N 0.00 0.80 0.00 0.00 -0.02 -1.26 -4.95 135.00 129.57 2bpn n PRO 2 Ca 0.00 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 2bpn n PRO 2 Cb 0.00 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2bpn n PRO 2 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2bpn n LYS 3 N 2.11 -0.74 -3.73 -0.52 4.76 -1.26 -4.99 118.16 113.79 2bpn n LYS 3 Ca 0.18 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.26 2bpn n LYS 3 Cb 0.17 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.26 2bpn n LYS 3 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2bpn s ALA 4 N -3.04 3.57 1.00 7.82 0.00 -1.26 -5.08 121.76 124.77 2bpn s ALA 4 Ca 0.00 -3.26 -0.19 0.00 0.00 0.00 0.00 51.96 48.51 2bpn s ALA 4 Cb 0.00 -2.64 -0.16 0.00 0.00 0.00 0.00 23.12 20.33 2bpn s ALA 4 CO 0.00 -2.10 -0.94 -2.30 0.00 0.00 0.00 175.76 170.43 2bpn n PRO 5 N 3.47 -0.00 -2.40 0.00 -0.02 -1.26 -4.86 135.00 129.93 2bpn n PRO 5 Ca 0.08 -0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.19 2bpn n PRO 5 Cb 0.38 -1.01 -0.02 0.00 -0.02 0.00 0.00 33.50 32.83 2bpn n PRO 5 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bpn s ALA 6 N -2.00 2.98 1.04 3.55 0.00 -1.26 -4.93 121.76 121.14 2bpn s ALA 6 Ca 0.39 0.80 -0.22 0.00 0.00 0.00 0.00 51.96 52.93 2bpn s ALA 6 Cb -0.13 -3.32 -0.07 0.00 0.00 0.00 0.00 23.12 19.60 2bpn s ALA 6 CO 0.80 -0.45 -0.74 -0.25 0.00 0.00 0.00 175.76 175.11 2bpn n ASP 7 N -0.45 -3.12 0.00 0.00 9.92 -1.26 -4.66 116.55 116.99 2bpn n ASP 7 Ca 0.07 0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.34 2bpn n ASP 7 Cb 0.49 -0.76 0.00 0.00 -0.64 0.00 0.00 41.12 40.22 2bpn n ASP 7 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2bpn n GLY 8 N 2.81 1.99 3.28 0.44 0.00 -1.26 -5.08 105.19 107.37 2bpn n GLY 8 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 2.71 0.03 0.99 2.96 -1.26 -5.10 118.68 119.00 2bpn s LEU 9 Ca 0.00 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 53.52 2bpn s LEU 9 Cb 0.00 -1.66 -0.02 0.00 0.50 0.00 0.00 46.19 45.01 2bpn s LEU 9 CO 0.00 0.02 -0.12 -1.59 -1.32 0.00 0.00 176.35 173.34 2bpn s LYS 10 N 1.24 0.82 -0.24 1.98 0.00 -1.26 -1.88 119.74 120.39 2bpn s LYS 10 Ca 0.03 -0.64 -0.04 0.00 0.00 0.00 0.00 55.97 55.32 2bpn s LYS 10 Cb -0.14 -0.78 0.00 0.00 0.00 0.00 0.00 37.83 36.91 2bpn s LYS 10 CO -0.04 0.19 -0.02 -1.64 0.00 0.00 0.00 175.35 173.85 2bpn s MET 11 N -0.95 3.23 -0.39 1.78 -1.94 0.57 -4.95 119.30 116.66 2bpn s MET 11 Ca 0.00 -0.73 0.11 0.00 -1.71 0.00 0.00 55.69 53.37 2bpn s MET 11 Cb -0.07 -3.09 0.36 0.00 2.01 0.00 0.00 34.83 34.04 2bpn s MET 11 CO 0.01 -0.28 0.91 -0.85 -0.01 0.00 0.00 175.02 174.80 2bpn n GLU 12 N 4.79 1.03 0.10 2.03 0.28 -1.26 0.18 120.64 127.79 2bpn n GLU 12 Ca -0.17 -2.88 -0.18 0.00 -0.16 0.00 0.00 57.16 53.77 2bpn n GLU 12 Cb 0.50 -1.34 -0.14 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 2.92 0.10 -3.00 -1.84 0.00 -1.94 -3.46 119.26 112.04 2bpn h ALA 13 Ca -0.01 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 53.95 2bpn h ALA 13 Cb 1.06 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2bpn h ALA 13 CO 0.36 0.97 0.00 0.25 0.00 0.00 0.00 179.25 180.83 2bpn n THR 14 N -3.55 0.00 -0.17 0.00 -2.24 -1.26 -4.94 114.28 102.12 2bpn n THR 14 Ca -0.12 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.53 2bpn n THR 14 Cb 1.05 -1.11 0.09 0.00 -2.10 0.00 0.00 70.33 68.26 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 1.66 -3.25 -0.78 5.02 -1.26 -4.63 118.16 114.91 2bpn n LYS 15 Ca 0.00 -1.58 -0.04 0.00 -2.02 0.00 0.00 58.31 54.67 2bpn n LYS 15 Cb 0.00 -1.62 -0.04 0.00 -0.02 0.00 0.00 35.03 33.35 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 -1.73 0.46 -0.00 1.97 -1.52 -1.26 -5.14 119.66 112.44 2bpn s GLN 16 Ca 0.30 0.47 -0.30 0.00 -1.95 0.00 0.00 55.36 53.88 2bpn s GLN 16 Cb 0.25 -0.06 -0.03 0.00 -0.22 0.00 0.00 33.01 32.95 2bpn s GLN 16 CO 0.06 -0.88 0.96 -1.25 -0.25 0.00 0.00 175.29 173.92 2bpn s PRO 17 N 2.67 4.55 -0.12 2.91 0.04 -1.26 -4.55 135.00 139.23 2bpn s PRO 17 Ca 0.12 1.38 -0.02 0.00 0.04 0.00 0.00 61.00 62.53 2bpn s PRO 17 Cb -0.13 -3.46 0.04 0.00 0.04 0.00 0.00 34.50 31.00 2bpn s PRO 17 CO -0.25 -0.04 0.02 0.08 0.04 0.00 0.00 177.00 176.86 2bpn s VAL 18 N 0.97 0.43 0.29 -0.36 1.01 0.47 -4.81 120.40 118.40 2bpn s VAL 18 Ca 0.51 -0.16 -0.19 0.00 0.00 0.00 0.00 61.98 62.14 2bpn s VAL 18 Cb -0.21 -0.74 -0.09 0.00 0.00 0.00 0.00 36.38 35.35 2bpn s VAL 18 CO 0.27 0.06 0.79 0.54 0.00 0.00 0.00 175.10 176.76 2bpn s VAL 19 N 1.93 4.53 -0.16 2.92 0.11 -1.26 -0.31 120.40 128.15 2bpn s VAL 19 Ca 0.03 1.29 -0.04 0.00 -2.93 0.00 0.00 61.98 60.32 2bpn s VAL 19 Cb -0.14 -3.77 0.08 0.00 -1.53 0.00 0.00 36.38 31.02 2bpn s VAL 19 CO -0.07 0.01 0.28 0.12 -3.33 0.00 0.00 175.10 172.11 2bpn s PHE 20 N -1.76 -0.46 -0.12 1.54 2.19 -0.79 -4.93 117.98 113.66 2bpn s PHE 20 Ca 0.50 0.82 -0.14 0.00 0.33 0.00 0.00 56.93 58.44 2bpn s PHE 20 Cb -0.14 -0.08 -0.05 0.00 -1.31 0.00 0.00 43.02 41.44 2bpn s PHE 20 CO 0.19 -0.46 0.32 -0.80 1.83 0.00 0.00 175.22 176.30 2bpn s ASN 21 N 2.43 6.54 0.44 6.13 0.01 -1.26 -4.32 114.94 124.90 2bpn s ASN 21 Ca 0.04 0.63 0.17 0.00 -0.71 0.00 0.00 52.86 52.99 2bpn s ASN 21 Cb -0.13 -2.19 1.02 0.00 0.41 0.00 0.00 41.25 40.35 2bpn s ASN 21 CO -0.10 0.17 1.96 0.45 -1.51 0.00 0.00 177.10 178.06 2bpn h HIS 22 N 6.07 0.00 -0.64 2.20 3.86 -1.91 -2.24 115.15 122.49 2bpn h HIS 22 Ca -0.45 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 58.73 2bpn h HIS 22 Cb 1.18 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.62 2bpn h HIS 22 CO 0.64 0.23 0.26 0.66 0.86 0.00 0.00 177.93 180.58 2bpn h SER 23 N 0.00 0.86 -0.02 2.45 4.64 -1.94 0.20 113.55 119.74 2bpn h SER 23 Ca -0.00 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 2bpn h SER 23 Cb 0.44 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2bpn h SER 23 CO 0.03 0.77 0.00 0.35 -0.87 0.00 0.00 176.83 177.11 2bpn n THR 24 N -4.31 0.02 -2.69 2.95 -2.24 -0.85 -3.60 114.28 103.57 2bpn n THR 24 Ca 0.06 -0.06 -0.07 0.00 -2.27 0.00 0.00 64.05 61.70 2bpn n THR 24 Cb 0.17 -0.22 0.06 0.00 -2.10 0.00 0.00 70.33 68.25 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 -0.65 -0.16 0.70 4.78 8.25 0.01 -4.87 115.22 123.28 2bpn n HIS 25 Ca 0.18 -2.41 0.08 0.00 -0.26 0.00 0.00 57.72 55.31 2bpn n HIS 25 Cb 0.14 0.36 -0.10 0.00 1.12 0.00 0.00 29.99 31.51 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 -0.34 1.30 -0.71 -0.41 -0.00 0.50 -4.24 118.16 114.26 2bpn n LYS 26 Ca 0.04 -0.02 -0.04 0.00 -0.00 0.00 0.00 58.31 58.29 2bpn n LYS 26 Cb 0.83 -1.31 0.22 0.00 -0.00 0.00 0.00 35.03 34.77 2bpn n LYS 26 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2bpn n SER 27 N -1.49 3.99 -4.00 -5.58 3.41 -1.26 -4.83 113.62 103.86 2bpn n SER 27 Ca 0.02 -2.83 -0.20 0.00 -0.26 0.00 0.00 58.87 55.61 2bpn n SER 27 Cb 0.29 -0.67 -0.15 0.00 -0.26 0.00 0.00 64.21 63.41 2bpn n SER 27 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2bpn s VAL 28 N -2.24 0.75 0.21 -3.33 1.01 -1.26 -5.11 120.40 110.43 2bpn s VAL 28 Ca 0.38 -0.36 -0.32 0.00 0.00 0.00 0.00 61.98 61.68 2bpn s VAL 28 Cb 0.31 -0.66 -0.13 0.00 0.00 0.00 0.00 36.38 35.90 2bpn s VAL 28 CO 0.10 0.23 1.56 1.17 0.00 0.00 0.00 175.10 178.15 2bpn n LYS 29 N 3.17 2.31 0.16 2.72 4.81 -1.26 -4.80 118.16 125.27 2bpn n LYS 29 Ca -0.17 0.83 0.19 0.00 -0.87 0.00 0.00 58.31 58.29 2bpn n LYS 29 Cb 0.55 -2.58 0.79 0.00 0.02 0.00 0.00 35.03 33.81 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 -1.43 -0.80 0.10 0.00 0.00 -1.26 0.11 105.19 101.91 2bpn n GLY 31 Ca 0.04 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 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 0.28 0.00 1.61 3.58 0.12 -3.37 116.42 118.64 2bpn h ASP 32 Ca 0.00 -0.37 -0.26 0.00 0.42 0.00 0.00 57.03 56.82 2bpn h ASP 32 Cb 0.08 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 40.99 2bpn h ASP 32 CO 0.00 1.30 -1.93 0.00 -2.88 0.00 0.00 179.24 175.73 2bpn s HIS 34 N -2.32 3.79 0.56 0.00 3.76 0.29 -5.03 115.29 116.35 2bpn s HIS 34 Ca -0.23 -2.28 -0.13 0.00 -0.15 0.00 0.00 55.06 52.27 2bpn s HIS 34 Cb 0.07 -4.10 -0.06 0.00 1.11 0.00 0.00 32.58 29.61 2bpn s HIS 34 CO 0.34 -1.20 1.00 -3.38 -0.85 0.00 0.00 174.74 170.64 2bpn s HIS 35 N 0.48 3.55 0.27 1.40 -0.00 -1.26 -4.03 115.29 115.69 2bpn s HIS 35 Ca 0.36 1.35 -0.30 0.00 -0.00 0.00 0.00 55.06 56.46 2bpn s HIS 35 Cb -0.06 -2.73 -0.10 0.00 -0.00 0.00 0.00 32.58 29.69 2bpn s HIS 35 CO -0.04 -0.52 1.41 -2.14 -0.00 0.00 0.00 174.74 173.45 2bpn s PRO 36 N -4.65 4.28 0.00 -0.38 0.02 -1.26 -2.96 135.00 130.05 2bpn s PRO 36 Ca 0.56 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.87 2bpn s PRO 36 Cb -0.10 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.31 2bpn s PRO 36 CO 0.43 -0.38 0.00 0.28 -0.33 0.00 0.00 177.00 177.01 2bpn n VAL 37 N 2.01 0.00 -1.36 3.83 0.31 -1.22 -4.87 118.33 117.03 2bpn n VAL 37 Ca 0.05 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 64.00 2bpn n VAL 37 Cb 0.41 -0.14 -0.02 0.00 -0.91 0.00 0.00 33.84 33.17 2bpn n VAL 37 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2bpn n ASN 38 N -1.54 4.86 -2.42 4.52 5.03 -1.26 -4.44 115.26 120.00 2bpn n ASN 38 Ca 0.00 -2.67 -0.02 0.00 0.87 0.00 0.00 54.58 52.77 2bpn n ASN 38 Cb 0.00 -1.43 -0.00 0.00 -1.02 0.00 0.00 39.78 37.33 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 4.03 -0.47 3.65 7.41 0.00 -1.26 -4.78 105.19 113.77 2bpn n GLY 39 Ca 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.57 2bpn n GLY 39 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bpn s LYS 40 N -4.86 0.12 -0.39 1.61 -2.85 -1.26 -5.11 119.74 107.00 2bpn s LYS 40 Ca 0.00 0.18 -0.37 0.00 -1.00 0.00 0.00 55.97 54.78 2bpn s LYS 40 Cb 0.00 0.05 -0.16 0.00 -2.06 0.00 0.00 37.83 35.66 2bpn s LYS 40 CO 0.00 -0.02 1.30 0.39 0.10 0.00 0.00 175.35 177.12 2bpn n GLU 41 N 2.39 0.00 -3.91 1.78 1.02 -1.26 -3.46 120.64 117.20 2bpn n GLU 41 Ca -0.14 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.66 2bpn n GLU 41 Cb 0.57 -1.18 -0.05 0.00 -0.02 0.00 0.00 31.44 30.75 2bpn n GLU 41 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2bpn s ASP 42 N 2.59 6.34 -0.07 1.62 1.11 -1.15 -4.89 116.67 122.21 2bpn s ASP 42 Ca 0.84 0.38 0.13 0.00 0.18 0.00 0.00 52.55 54.07 2bpn s ASP 42 Cb -1.18 -2.00 0.26 0.00 1.07 0.00 0.00 42.92 41.06 2bpn s ASP 42 CO 0.63 0.31 1.12 -1.22 1.18 0.00 0.00 175.17 177.19 2bpn n TYR 43 N 1.27 0.00 -2.57 4.23 4.02 -1.26 -4.31 117.16 118.54 2bpn n TYR 43 Ca -0.14 -0.64 -0.23 0.00 -0.01 0.00 0.00 57.90 56.89 2bpn n TYR 43 Cb 0.53 -0.14 0.04 0.00 -0.02 0.00 0.00 39.34 39.76 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 -1.27 2.56 0.01 -0.72 0.52 -1.26 -4.97 118.95 113.82 2bpn s ARG 44 Ca 0.23 -0.58 -0.38 0.00 -0.52 0.00 0.00 55.73 54.48 2bpn s ARG 44 Cb 0.23 -2.41 -0.19 0.00 0.52 0.00 0.00 34.95 33.10 2bpn s ARG 44 CO -0.05 -0.77 1.00 1.63 0.02 0.00 0.00 175.30 177.13 2bpn n LYS 45 N -2.45 0.00 -0.32 3.54 5.02 -1.26 -4.75 118.16 117.94 2bpn n LYS 45 Ca 0.07 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.49 2bpn n LYS 45 Cb 0.59 -1.42 0.31 0.00 -0.02 0.00 0.00 35.03 34.49 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 -1.33 1.63 1.45 0.00 0.00 -1.26 -3.86 105.19 101.82 2bpn n GLY 47 Ca 0.22 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.25 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 -2.14 -2.16 2.61 -1.04 -1.25 -3.35 114.28 106.95 2bpn n THR 48 Ca 0.00 1.11 -0.42 0.00 -2.04 0.00 0.00 64.05 62.69 2bpn n THR 48 Cb 0.00 -1.83 -0.03 0.00 -1.82 0.00 0.00 70.33 66.65 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 -5.06 3.63 0.00 2.41 0.00 -1.26 -2.46 121.76 119.02 2bpn s ALA 49 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.72 2bpn s ALA 49 Cb 0.00 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.42 2bpn s ALA 49 CO 0.00 -1.32 0.00 0.41 0.00 0.00 0.00 175.76 174.85 2bpn n GLY 50 N 3.95 1.40 0.00 0.00 0.00 -1.26 -5.06 105.19 104.21 2bpn n GLY 50 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2bpn n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bpn n HIS 52 N 0.00 0.81 -1.09 0.00 8.25 -1.21 -4.54 115.22 117.44 2bpn n HIS 52 Ca 0.00 -0.45 0.00 0.00 -0.26 0.00 0.00 57.72 57.01 2bpn n HIS 52 Cb 0.00 -1.99 0.28 0.00 1.12 0.00 0.00 29.99 29.40 2bpn n HIS 52 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2bpn n ASP 53 N 15.57 4.13 -4.43 0.41 5.75 -1.24 -4.14 116.55 132.60 2bpn n ASP 53 Ca 0.44 -3.23 -0.35 0.00 -0.01 0.00 0.00 54.79 51.64 2bpn n ASP 53 Cb 0.45 -0.65 -0.13 0.00 -1.03 0.00 0.00 41.12 39.76 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 -1.62 4.76 -0.46 -1.12 0.15 -1.05 -5.01 113.70 109.35 2bpn s SER 54 Ca 0.49 -0.22 0.09 0.00 0.70 0.00 0.00 55.95 57.00 2bpn s SER 54 Cb 0.40 -1.81 0.37 0.00 -1.71 0.00 0.00 66.02 63.27 2bpn s SER 54 CO 0.10 0.06 0.91 0.23 1.20 0.00 0.00 173.24 175.73 2bpn n MET 55 N 4.26 2.29 -1.29 5.44 2.81 -1.26 -1.09 117.12 128.28 2bpn n MET 55 Ca -0.17 -4.14 0.00 0.00 -1.81 0.00 0.00 57.70 51.58 2bpn n MET 55 Cb 0.52 -1.95 0.00 0.00 -0.71 0.00 0.00 33.22 31.08 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 -0.09 1.84 -3.46 7.83 2.03 -1.26 -5.08 116.55 118.36 2bpn n ASP 56 Ca 0.28 -0.64 -0.23 0.00 0.52 0.00 0.00 54.79 54.71 2bpn n ASP 56 Cb 0.57 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.85 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 -0.93 0.33 0.00 -0.67 2.47 -1.26 -4.86 119.74 114.82 2bpn s LYS 57 Ca 0.00 -0.51 0.00 0.00 -1.56 0.00 0.00 55.97 53.90 2bpn s LYS 57 Cb 0.00 -0.94 0.00 0.00 -1.46 0.00 0.00 37.83 35.43 2bpn s LYS 57 CO 0.00 -1.07 0.00 1.17 0.16 0.00 0.00 175.35 175.61 2bpn n LYS 58 N 5.03 0.00 -3.01 4.03 4.81 -1.26 -5.11 118.16 122.65 2bpn n LYS 58 Ca -0.01 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.02 2bpn n LYS 58 Cb 0.43 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.43 2bpn n LYS 58 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2bpn s ASP 59 N 0.00 6.65 -0.73 3.14 -1.08 -1.26 -4.94 116.67 118.45 2bpn s ASP 59 Ca 0.00 0.72 -0.00 0.00 -0.52 0.00 0.00 52.55 52.75 2bpn s ASP 59 Cb 0.00 -2.38 0.38 0.00 -1.46 0.00 0.00 42.92 39.46 2bpn s ASP 59 CO 0.00 -0.50 1.82 0.29 0.52 0.00 0.00 175.17 177.30 2bpn n LYS 60 N 5.96 2.91 -2.79 4.34 5.02 -1.26 -4.70 118.16 127.64 2bpn n LYS 60 Ca 0.02 -3.71 -0.22 0.00 -2.02 0.00 0.00 58.31 52.38 2bpn n LYS 60 Cb 0.48 -2.27 0.09 0.00 -0.02 0.00 0.00 35.03 33.32 2bpn n LYS 60 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2bpn s SER 61 N -1.75 4.61 0.00 4.39 0.15 -1.26 -4.96 113.70 114.87 2bpn s SER 61 Ca 0.53 -0.63 0.22 0.00 0.70 0.00 0.00 55.95 56.77 2bpn s SER 61 Cb 0.44 0.22 1.13 0.00 -1.71 0.00 0.00 66.02 66.10 2bpn s SER 61 CO -0.31 -1.69 1.72 0.00 1.20 0.00 0.00 173.24 174.16 2bpn n ALA 62 N -2.61 2.15 1.24 5.45 0.00 -1.26 -1.73 120.51 123.76 2bpn n ALA 62 Ca 0.16 -0.11 0.13 0.00 0.00 0.00 0.00 53.44 53.62 2bpn n ALA 62 Cb 0.61 -1.36 0.35 0.00 0.00 0.00 0.00 19.45 19.05 2bpn n ALA 62 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2bpn n LYS 63 N -1.28 1.00 -2.46 0.00 5.02 -1.26 -4.64 118.16 114.55 2bpn n LYS 63 Ca 0.11 -0.62 -0.43 0.00 -2.02 0.00 0.00 58.31 55.35 2bpn n LYS 63 Cb 0.17 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.67 2bpn n LYS 63 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2bpn s GLY 64 N -2.43 1.81 -0.03 0.72 0.00 -0.71 -2.53 107.32 104.14 2bpn s GLY 64 Ca 0.25 0.49 -0.24 0.00 0.00 0.00 0.00 44.72 45.22 2bpn s GLY 64 CO 0.50 2.37 1.07 -1.82 0.00 0.00 0.00 173.10 175.22 2bpn h TYR 65 N 7.89 -0.16 0.00 1.90 3.20 -1.37 -2.70 116.97 125.72 2bpn h TYR 65 Ca -0.28 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.58 2bpn h TYR 65 Cb 1.12 0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.44 2bpn h TYR 65 CO 0.77 0.30 0.00 0.98 -1.64 0.00 0.00 178.16 178.57 2bpn n TYR 66 N -4.93 0.00 1.00 -3.82 4.19 -1.26 -2.30 117.16 110.04 2bpn n TYR 66 Ca -0.08 0.00 0.10 0.00 3.31 0.00 0.00 57.90 61.23 2bpn n TYR 66 Cb 0.27 0.00 -0.10 0.00 0.49 0.00 0.00 39.34 40.00 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 -0.96 0.00 -0.69 2.98 -0.00 -1.13 -3.65 115.22 111.77 2bpn n HIS 67 Ca 0.19 0.00 0.07 0.00 0.46 0.00 0.00 57.72 58.45 2bpn n HIS 67 Cb 0.09 -0.01 0.21 0.00 -0.12 0.00 0.00 29.99 30.16 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 -1.31 1.80 -2.15 3.57 0.24 -0.97 -4.05 118.33 115.46 2bpn n VAL 68 Ca 0.05 -1.57 -0.02 0.00 -2.04 0.00 0.00 64.34 60.76 2bpn n VAL 68 Cb 0.35 0.02 -0.02 0.00 -1.47 0.00 0.00 33.84 32.72 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 -0.20 0.00 0.00 7.34 -0.00 -1.23 -4.62 117.12 118.41 2bpn n MET 69 Ca 0.17 -1.12 0.00 0.00 -0.00 0.00 0.00 57.70 56.75 2bpn n MET 69 Cb 0.71 0.13 0.00 0.00 -0.00 0.00 0.00 33.22 34.06 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 0.15 -1.74 -1.25 3.17 -0.00 -1.24 -3.94 115.22 110.37 2bpn n HIS 70 Ca -0.09 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.25 2bpn n HIS 70 Cb 0.80 0.48 0.04 0.00 -0.00 0.00 0.00 29.99 31.31 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 -2.43 -2.62 -0.05 0.41 8.00 -1.26 -3.57 116.55 115.02 2bpn n ASP 71 Ca 0.00 0.57 0.01 0.00 0.71 0.00 0.00 54.79 56.08 2bpn n ASP 71 Cb 0.00 -1.03 0.00 0.00 -0.02 0.00 0.00 41.12 40.07 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 0.50 2.38 -1.75 -1.24 2.85 -1.26 -4.49 118.16 115.15 2bpn n LYS 72 Ca 0.08 -0.36 -0.36 0.00 -1.05 0.00 0.00 58.31 56.62 2bpn n LYS 72 Cb 0.50 -0.85 0.01 0.00 -0.65 0.00 0.00 35.03 34.04 2bpn n LYS 72 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2bpn n ASN 73 N -0.38 7.23 -4.54 -5.58 3.02 -1.26 -4.93 115.26 108.81 2bpn n ASN 73 Ca 0.01 -3.65 -0.26 0.00 -0.03 0.00 0.00 54.58 50.66 2bpn n ASN 73 Cb 0.05 -1.11 -0.10 0.00 -0.61 0.00 0.00 39.78 38.00 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 -4.22 2.29 0.23 3.41 -4.23 -1.26 -5.03 115.64 106.81 2bpn s THR 74 Ca 0.54 -2.22 -0.07 0.00 -1.18 0.00 0.00 61.69 58.77 2bpn s THR 74 Cb 0.42 -2.62 0.17 0.00 1.34 0.00 0.00 72.50 71.82 2bpn s THR 74 CO -0.34 -0.22 1.80 0.50 -0.54 0.00 0.00 174.62 175.82 2bpn h LYS 75 N 2.04 1.17 -6.21 3.99 3.64 -1.99 -3.43 116.57 115.78 2bpn h LYS 75 Ca -0.42 -0.20 -0.54 0.00 -1.27 0.00 0.00 60.65 58.23 2bpn h LYS 75 Cb 1.25 -0.20 -0.08 0.00 -0.41 0.00 0.00 32.23 32.80 2bpn h LYS 75 CO 0.69 0.93 -0.59 -0.06 -2.27 0.00 0.00 179.45 178.15 2bpn s PHE 76 N -5.58 2.89 0.78 1.91 0.08 -1.26 -5.11 117.98 111.69 2bpn s PHE 76 Ca -0.12 -0.16 -0.11 0.00 0.12 0.00 0.00 56.93 56.66 2bpn s PHE 76 Cb 0.16 -1.30 0.06 0.00 -0.57 0.00 0.00 43.02 41.37 2bpn s PHE 76 CO 0.83 0.57 1.10 0.15 -0.10 0.00 0.00 175.22 177.77 2bpn s LYS 77 N -3.68 2.19 0.00 0.44 1.02 -1.26 -4.96 119.74 113.50 2bpn s LYS 77 Ca 0.32 1.21 0.00 0.00 0.02 0.00 0.00 55.97 57.52 2bpn s LYS 77 Cb -0.07 -1.89 0.00 0.00 -0.52 0.00 0.00 37.83 35.35 2bpn s LYS 77 CO 0.22 -1.70 0.00 0.43 -0.92 0.00 0.00 175.35 173.38 2bpn n SER 78 N -3.52 0.00 -0.12 2.83 7.64 -1.26 -4.91 113.62 114.28 2bpn n SER 78 Ca 0.09 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.72 2bpn n SER 78 Cb 0.53 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.64 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 -0.84 1.26 0.00 0.00 2.07 -1.74 -3.10 116.25 113.89 2bpn h VAL 80 Ca -0.61 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 64.63 2bpn h VAL 80 Cb 1.54 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 33.61 2bpn h VAL 80 CO -0.36 0.61 0.00 0.61 0.02 0.00 0.00 177.57 178.45 2bpn n GLY 81 N 0.66 -2.62 0.30 2.17 0.00 -1.23 0.27 105.19 104.74 2bpn n GLY 81 Ca -0.00 0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.13 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 0.03 0.82 -0.08 0.00 3.86 -1.44 0.55 115.15 118.88 2bpn h HIS 83 Ca 0.43 0.02 -0.17 0.00 -1.16 0.00 0.00 60.37 59.49 2bpn h HIS 83 Cb 0.73 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 2bpn h HIS 83 CO -0.57 0.32 -0.69 0.28 0.86 0.00 0.00 177.93 178.12 2bpn h VAL 84 N 0.70 1.38 -0.00 2.45 2.07 0.70 -2.36 116.25 121.19 2bpn h VAL 84 Ca 0.43 -2.10 0.00 0.00 0.82 0.00 0.00 66.70 65.85 2bpn h VAL 84 Cb 0.67 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 2bpn h VAL 84 CO -0.19 0.63 -0.06 -0.62 0.02 0.00 0.00 177.57 177.35 2bpn n GLU 85 N -3.84 0.69 -0.10 1.57 -0.58 0.89 -3.72 120.64 115.56 2bpn n GLU 85 Ca -0.04 -0.16 -0.18 0.00 -0.42 0.00 0.00 57.16 56.37 2bpn n GLU 85 Cb 0.68 -1.50 -0.09 0.00 -0.57 0.00 0.00 31.44 29.97 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 -1.02 1.50 -0.86 2.62 0.31 0.16 -4.95 118.33 116.10 2bpn n VAL 86 Ca 0.16 0.02 -0.36 0.00 -0.01 0.00 0.00 64.34 64.15 2bpn n VAL 86 Cb 0.24 -2.13 0.09 0.00 -0.91 0.00 0.00 33.84 31.14 2bpn n VAL 86 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2bpn n ALA 87 N -3.52 -5.07 0.14 3.52 0.00 -0.92 -4.97 120.51 109.69 2bpn n ALA 87 Ca -0.27 -1.32 0.00 0.00 0.00 0.00 0.00 53.44 51.86 2bpn n ALA 87 Cb 0.59 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.91 2bpn n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bpn n GLY 88 N 2.84 -0.50 0.89 0.00 0.00 -1.26 -5.00 105.19 102.16 2bpn n GLY 88 Ca -0.01 0.05 -0.06 0.00 0.00 0.00 0.00 46.02 46.00 2bpn n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bpn n ALA 89 N -3.37 3.16 -2.69 4.61 0.00 -1.26 -5.11 120.51 115.86 2bpn n ALA 89 Ca 0.00 -0.55 -0.36 0.00 0.00 0.00 0.00 53.44 52.53 2bpn n ALA 89 Cb 0.00 -0.28 -0.09 0.00 0.00 0.00 0.00 19.45 19.08 2bpn n ALA 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2bpn s ASP 90 N -0.79 6.19 -0.16 0.00 2.15 -1.26 -4.95 116.67 117.85 2bpn s ASP 90 Ca 0.00 0.20 0.05 0.00 0.43 0.00 0.00 52.55 53.23 2bpn s ASP 90 Cb 0.00 -2.12 0.38 0.00 -0.30 0.00 0.00 42.92 40.88 2bpn s ASP 90 CO 0.00 0.09 1.24 0.00 -0.17 0.00 0.00 175.17 176.33 2bpn n ALA 91 N 4.04 3.50 0.04 3.66 0.00 -1.26 -3.11 120.51 127.37 2bpn n ALA 91 Ca -0.15 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.17 2bpn n ALA 91 Cb 0.52 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 0.08 3.00 0.23 0.00 0.00 -1.26 -4.61 120.51 117.95 2bpn n ALA 92 Ca 0.20 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.70 2bpn n ALA 92 Cb 0.85 0.29 0.54 0.00 0.00 0.00 0.00 19.45 21.14 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 -1.98 0.22 116.57 116.38 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 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2bpn h LYS 93 CO 0.00 0.19 0.00 0.36 -0.57 0.00 0.00 179.45 179.43 2bpn n LYS 94 N -4.15 0.81 0.00 3.15 -0.00 -1.18 0.40 118.16 117.19 2bpn n LYS 94 Ca -0.02 0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.29 2bpn n LYS 94 Cb 0.26 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.79 2bpn n LYS 94 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2bpn n LYS 95 N -1.06 0.02 -0.01 -1.58 5.02 0.52 -3.96 118.16 117.12 2bpn n LYS 95 Ca 0.20 -0.36 -0.01 0.00 -2.02 0.00 0.00 58.31 56.13 2bpn n LYS 95 Cb 0.12 -0.84 -0.02 0.00 -0.02 0.00 0.00 35.03 34.27 2bpn n LYS 95 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2bpn n ASP 96 N -0.11 4.37 -0.07 4.39 8.00 0.16 -3.58 116.55 129.72 2bpn n ASP 96 Ca 0.00 0.00 -0.21 0.00 0.71 0.00 0.00 54.79 55.29 2bpn n ASP 96 Cb 0.04 0.70 -0.13 0.00 -0.02 0.00 0.00 41.12 41.72 2bpn n ASP 96 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2bpn n LEU 97 N -1.97 2.57 -0.62 0.64 4.77 0.16 -2.62 117.00 119.92 2bpn n LEU 97 Ca -0.03 0.15 0.08 0.00 -0.03 0.00 0.00 56.01 56.18 2bpn n LEU 97 Cb 0.46 -1.01 0.06 0.00 -2.33 0.00 0.00 43.42 40.60 2bpn n LEU 97 CO 0.06 0.77 0.48 0.35 -1.33 0.00 0.00 177.39 177.71 2bpn n THR 98 N -3.63 0.00 -1.10 -5.08 -2.24 -1.24 -4.87 114.28 96.12 2bpn n THR 98 Ca -0.39 -0.48 -0.35 0.00 -2.27 0.00 0.00 64.05 60.57 2bpn n THR 98 Cb 0.96 1.32 0.09 0.00 -2.10 0.00 0.00 70.33 70.60 2bpn n THR 98 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2bpn n GLY 99 N 0.97 -1.69 0.14 3.38 0.00 -1.23 -4.91 105.19 101.84 2bpn n GLY 99 Ca 0.09 -0.51 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 2bpn n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bpn s LYS 101 N -2.48 1.91 0.00 0.00 2.47 -1.26 -4.55 119.74 115.82 2bpn s LYS 101 Ca -0.34 -0.61 0.00 0.00 -1.56 0.00 0.00 55.97 53.47 2bpn s LYS 101 Cb 0.10 -1.61 0.00 0.00 -1.46 0.00 0.00 37.83 34.86 2bpn s LYS 101 CO 0.53 0.20 0.00 1.17 0.16 0.00 0.00 175.35 177.42 2bpn n LYS 102 N 3.30 0.00 -1.44 4.03 4.81 -0.33 -4.98 118.16 123.54 2bpn n LYS 102 Ca -0.19 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 56.93 2bpn n LYS 102 Cb 0.53 -1.13 0.07 0.00 0.02 0.00 0.00 35.03 34.52 2bpn n LYS 102 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2bpn s SER 103 N -3.15 4.78 0.36 3.14 0.15 -1.14 -4.62 113.70 113.23 2bpn s SER 103 Ca 0.00 1.85 0.08 0.00 0.70 0.00 0.00 55.95 58.58 2bpn s SER 103 Cb 0.00 -2.53 0.79 0.00 -1.71 0.00 0.00 66.02 62.57 2bpn s SER 103 CO 0.00 -1.85 1.93 0.11 1.20 0.00 0.00 173.24 174.63 2bpn h LYS 104 N -0.73 0.69 0.18 5.44 6.56 -1.86 1.12 116.57 127.97 2bpn h LYS 104 Ca -0.44 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.09 2bpn h LYS 104 Cb 1.23 -0.16 0.00 0.00 -0.57 0.00 0.00 32.23 32.74 2bpn h LYS 104 CO 0.53 0.46 -0.09 0.00 -2.06 0.00 0.00 179.45 178.29 2bpn n HIS 106 N -3.54 2.71 1.42 0.00 8.25 -1.07 -4.61 115.22 118.38 2bpn n HIS 106 Ca -0.03 -2.59 0.14 0.00 -0.26 0.00 0.00 57.72 54.98 2bpn n HIS 106 Cb 0.10 -1.27 0.46 0.00 1.12 0.00 0.00 29.99 30.39 2bpn n HIS 106 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07