#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 3.12 0.50 0.00 0.02 -1.26 -5.09 135.00 132.29 2bpn s PRO 2 Ca 0.00 0.44 -0.03 0.00 0.02 0.00 0.00 61.00 61.43 2bpn s PRO 2 Cb 0.00 -2.11 0.10 0.00 0.02 0.00 0.00 34.50 32.52 2bpn s PRO 2 CO 0.00 -0.79 0.68 1.63 -0.33 0.00 0.00 177.00 178.19 2bpn n LYS 3 N -2.81 -0.13 -3.70 5.54 5.02 -1.26 -5.04 118.16 115.78 2bpn n LYS 3 Ca 0.06 -1.55 -0.29 0.00 -2.02 0.00 0.00 58.31 54.50 2bpn n LYS 3 Cb 0.56 -0.54 -0.10 0.00 -0.02 0.00 0.00 35.03 34.93 2bpn n LYS 3 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bpn n ALA 4 N -3.12 3.72 -0.97 7.82 0.00 -1.26 -5.09 120.51 121.61 2bpn n ALA 4 Ca -0.11 -4.62 -0.37 0.00 0.00 0.00 0.00 53.44 48.34 2bpn n ALA 4 Cb 0.36 -1.13 0.05 0.00 0.00 0.00 0.00 19.45 18.73 2bpn n ALA 4 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2bpn n PRO 5 N 1.66 -0.10 -2.06 0.00 -0.02 -1.26 -4.94 135.00 128.29 2bpn n PRO 5 Ca 0.23 -0.02 -0.28 0.00 -2.02 0.00 0.00 63.50 61.41 2bpn n PRO 5 Cb 0.37 -1.09 0.07 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 -2.04 2.93 1.04 3.55 0.00 -1.26 -4.78 121.76 121.19 2bpn s ALA 6 Ca 0.41 -0.75 -0.23 0.00 0.00 0.00 0.00 51.96 51.39 2bpn s ALA 6 Cb -0.08 -2.79 -0.07 0.00 0.00 0.00 0.00 23.12 20.18 2bpn s ALA 6 CO 0.75 -1.42 -0.82 -0.25 0.00 0.00 0.00 175.76 174.03 2bpn n ASP 7 N -3.08 -3.07 0.00 0.00 8.00 -1.26 -4.55 116.55 112.59 2bpn n ASP 7 Ca 0.08 -0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.58 2bpn n ASP 7 Cb 0.60 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 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 2.86 0.97 3.55 0.44 0.00 -1.26 -5.07 105.19 106.68 2bpn n GLY 8 Ca -0.01 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 3.79 0.02 0.99 2.96 -1.26 -5.08 118.68 120.10 2bpn s LEU 9 Ca 0.00 -0.06 0.04 0.00 -0.22 0.00 0.00 54.13 53.88 2bpn s LEU 9 Cb 0.00 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.65 2bpn s LEU 9 CO 0.00 -0.01 -0.11 -1.59 -1.32 0.00 0.00 176.35 173.32 2bpn s LYS 10 N 1.48 0.78 -0.39 1.98 0.00 -1.26 -1.97 119.74 120.35 2bpn s LYS 10 Ca 0.06 -0.59 -0.07 0.00 0.00 0.00 0.00 55.97 55.38 2bpn s LYS 10 Cb -0.15 -0.73 0.07 0.00 0.00 0.00 0.00 37.83 37.02 2bpn s LYS 10 CO 0.06 0.18 0.20 -1.64 0.00 0.00 0.00 175.35 174.16 2bpn s MET 11 N -0.86 2.49 -0.37 1.78 -1.94 0.29 -4.94 119.30 115.76 2bpn s MET 11 Ca 0.00 -1.46 0.13 0.00 -1.71 0.00 0.00 55.69 52.66 2bpn s MET 11 Cb -0.06 -3.64 0.44 0.00 2.01 0.00 0.00 34.83 33.57 2bpn s MET 11 CO 0.01 -0.90 1.00 0.39 -0.01 0.00 0.00 175.02 175.51 2bpn n GLU 12 N 4.82 1.96 0.16 2.03 1.02 -1.26 0.07 120.64 129.43 2bpn n GLU 12 Ca -0.09 -3.72 0.04 0.00 -0.02 0.00 0.00 57.16 53.37 2bpn n GLU 12 Cb 0.43 -1.62 0.07 0.00 -0.02 0.00 0.00 31.44 30.30 2bpn n GLU 12 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bpn h ALA 13 N 2.85 0.74 -3.00 0.62 0.00 -1.92 -3.46 119.26 115.10 2bpn h ALA 13 Ca 0.05 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2bpn h ALA 13 Cb 1.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2bpn h ALA 13 CO 0.63 0.51 0.00 0.25 0.00 0.00 0.00 179.25 180.64 2bpn n THR 14 N -3.22 0.00 -0.26 0.00 -2.24 -1.26 -4.99 114.28 102.32 2bpn n THR 14 Ca 0.02 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.77 2bpn n THR 14 Cb 0.69 -0.67 0.19 0.00 -2.10 0.00 0.00 70.33 68.44 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 2.74 -3.32 -0.78 5.02 -1.26 -4.53 118.16 116.03 2bpn n LYS 15 Ca 0.00 -1.92 -0.18 0.00 -2.02 0.00 0.00 58.31 54.19 2bpn n LYS 15 Cb 0.00 -1.88 -0.07 0.00 -0.02 0.00 0.00 35.03 33.06 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 -2.07 0.72 0.17 1.97 -1.52 -1.26 -5.13 119.66 112.54 2bpn s GLN 16 Ca 0.34 -1.10 -0.31 0.00 -1.95 0.00 0.00 55.36 52.34 2bpn s GLN 16 Cb 0.27 -0.79 -0.09 0.00 -0.22 0.00 0.00 33.01 32.17 2bpn s GLN 16 CO 0.09 -1.24 1.49 -2.14 -0.25 0.00 0.00 175.29 173.24 2bpn s PRO 17 N 1.15 4.26 -0.11 2.91 0.02 -1.26 -4.72 135.00 137.24 2bpn s PRO 17 Ca 0.21 2.27 -0.03 0.00 0.02 0.00 0.00 61.00 63.46 2bpn s PRO 17 Cb -0.12 -3.17 0.04 0.00 0.02 0.00 0.00 34.50 31.28 2bpn s PRO 17 CO -0.05 -0.52 0.07 0.08 -0.33 0.00 0.00 177.00 176.25 2bpn s VAL 18 N 0.90 -0.01 0.43 3.83 1.01 0.11 -4.83 120.40 121.84 2bpn s VAL 18 Ca 0.66 0.08 -0.16 0.00 0.00 0.00 0.00 61.98 62.56 2bpn s VAL 18 Cb -0.41 -0.43 -0.09 0.00 0.00 0.00 0.00 36.38 35.45 2bpn s VAL 18 CO 0.33 -0.04 0.88 0.54 0.00 0.00 0.00 175.10 176.82 2bpn s VAL 19 N 2.12 4.58 -0.20 2.92 0.11 -1.26 -0.55 120.40 128.12 2bpn s VAL 19 Ca 0.03 1.10 -0.06 0.00 -2.93 0.00 0.00 61.98 60.13 2bpn s VAL 19 Cb -0.14 -3.67 0.10 0.00 -1.53 0.00 0.00 36.38 31.14 2bpn s VAL 19 CO -0.06 -0.46 0.40 0.12 -3.33 0.00 0.00 175.10 171.77 2bpn s PHE 20 N -2.33 -0.78 -0.13 1.54 2.19 -0.83 -4.91 117.98 112.73 2bpn s PHE 20 Ca 0.57 1.37 -0.12 0.00 0.33 0.00 0.00 56.93 59.08 2bpn s PHE 20 Cb -0.10 0.23 -0.05 0.00 -1.31 0.00 0.00 43.02 41.80 2bpn s PHE 20 CO 0.24 -0.51 0.25 -0.80 1.83 0.00 0.00 175.22 176.23 2bpn s ASN 21 N 2.59 6.45 0.39 6.13 -0.87 -1.26 -4.39 114.94 123.98 2bpn s ASN 21 Ca 0.01 0.53 0.11 0.00 -1.57 0.00 0.00 52.86 51.94 2bpn s ASN 21 Cb -0.13 -2.15 0.80 0.00 -0.02 0.00 0.00 41.25 39.76 2bpn s ASN 21 CO -0.13 0.22 1.91 0.45 -2.57 0.00 0.00 177.10 176.98 2bpn h HIS 22 N 5.94 0.15 -0.96 2.20 3.86 -1.87 -2.40 115.15 122.07 2bpn h HIS 22 Ca -0.46 -0.02 0.01 0.00 -1.16 0.00 0.00 60.37 58.74 2bpn h HIS 22 Cb 1.19 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 29.57 2bpn h HIS 22 CO 0.65 0.34 0.63 0.66 0.86 0.00 0.00 177.93 181.07 2bpn h SER 23 N 0.14 1.10 0.08 2.45 4.64 -1.93 0.45 113.55 120.48 2bpn h SER 23 Ca 0.02 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2bpn h SER 23 Cb 0.43 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 2bpn h SER 23 CO 0.03 0.81 0.00 0.35 -0.87 0.00 0.00 176.83 177.15 2bpn n THR 24 N -4.41 0.01 -2.68 2.95 -2.24 -0.91 -3.44 114.28 103.57 2bpn n THR 24 Ca 0.11 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.81 2bpn n THR 24 Cb 0.02 -0.54 0.06 0.00 -2.10 0.00 0.00 70.33 67.77 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 -1.04 0.07 0.40 4.78 8.25 0.47 -4.86 115.22 123.29 2bpn n HIS 25 Ca 0.21 -2.51 0.09 0.00 -0.26 0.00 0.00 57.72 55.24 2bpn n HIS 25 Cb 0.12 0.22 -0.12 0.00 1.12 0.00 0.00 29.99 31.33 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 -0.24 0.91 -1.21 -0.41 2.85 0.13 -4.33 118.16 115.86 2bpn n LYS 26 Ca 0.05 -0.08 -0.28 0.00 -1.05 0.00 0.00 58.31 56.95 2bpn n LYS 26 Cb 0.83 -1.37 0.10 0.00 -0.65 0.00 0.00 35.03 33.94 2bpn n LYS 26 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2bpn n SER 27 N -1.77 6.19 -4.11 -5.58 2.88 -1.26 -4.90 113.62 105.07 2bpn n SER 27 Ca -0.00 -3.59 -0.18 0.00 -1.33 0.00 0.00 58.87 53.76 2bpn n SER 27 Cb 0.37 -0.93 -0.13 0.00 -0.75 0.00 0.00 64.21 62.77 2bpn n SER 27 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2bpn s VAL 28 N -3.90 0.95 -0.28 2.46 1.01 -1.26 -5.08 120.40 114.29 2bpn s VAL 28 Ca 0.56 -0.94 -0.40 0.00 0.00 0.00 0.00 61.98 61.20 2bpn s VAL 28 Cb 0.45 -0.88 -0.16 0.00 0.00 0.00 0.00 36.38 35.80 2bpn s VAL 28 CO 0.03 -0.05 1.74 1.17 0.00 0.00 0.00 175.10 177.98 2bpn n LYS 29 N 1.92 1.11 0.32 2.72 4.81 -1.26 -4.73 118.16 123.05 2bpn n LYS 29 Ca -0.18 0.41 0.17 0.00 -0.87 0.00 0.00 58.31 57.84 2bpn n LYS 29 Cb 0.55 -2.08 0.89 0.00 0.02 0.00 0.00 35.03 34.41 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 -1.22 2.57 0.10 0.00 0.00 -1.26 -3.31 105.19 102.06 2bpn n GLY 31 Ca -0.01 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 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 3.92 0.18 0.00 1.61 1.82 0.20 -3.37 116.42 120.79 2bpn h ASP 32 Ca 0.00 -0.33 -0.33 0.00 -0.39 0.00 0.00 57.03 55.98 2bpn h ASP 32 Cb 1.39 -0.06 -0.05 0.00 0.68 0.00 0.00 39.33 41.30 2bpn h ASP 32 CO 0.22 1.29 -2.06 0.00 -1.61 0.00 0.00 179.24 177.08 2bpn n HIS 34 N -4.16 3.69 -1.25 0.00 8.25 -1.21 -5.00 115.22 115.54 2bpn n HIS 34 Ca -0.41 -2.98 -0.31 0.00 -0.26 0.00 0.00 57.72 53.75 2bpn n HIS 34 Cb 0.76 -2.08 0.09 0.00 1.12 0.00 0.00 29.99 29.89 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 1.05 2.49 0.17 4.41 -3.43 -1.26 -4.49 115.29 114.23 2bpn s HIS 35 Ca 0.42 1.58 -0.32 0.00 -0.80 0.00 0.00 55.06 55.94 2bpn s HIS 35 Cb 0.06 -3.08 -0.10 0.00 -1.43 0.00 0.00 32.58 28.02 2bpn s HIS 35 CO 0.00 -1.88 1.60 -2.14 -2.00 0.00 0.00 174.74 170.32 2bpn s PRO 36 N -4.82 4.20 -0.06 -0.38 0.02 -1.26 -3.32 135.00 129.38 2bpn s PRO 36 Ca 0.62 2.41 -0.01 0.00 0.02 0.00 0.00 61.00 64.03 2bpn s PRO 36 Cb -0.18 -3.15 0.03 0.00 0.02 0.00 0.00 34.50 31.21 2bpn s PRO 36 CO 0.55 -0.64 0.01 0.08 -0.33 0.00 0.00 177.00 176.67 2bpn s VAL 37 N 1.20 0.29 -1.05 3.83 1.01 -1.22 -4.78 120.40 119.67 2bpn s VAL 37 Ca 0.71 0.17 -0.03 0.00 0.00 0.00 0.00 61.98 62.83 2bpn s VAL 37 Cb -0.45 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.48 2bpn s VAL 37 CO 0.31 0.24 0.44 0.59 0.00 0.00 0.00 175.10 176.69 2bpn n ASN 38 N 5.12 -4.70 -3.41 3.32 5.03 -1.26 -3.16 115.26 116.19 2bpn n ASN 38 Ca -0.07 -0.21 -0.20 0.00 0.87 0.00 0.00 54.58 54.97 2bpn n ASN 38 Cb 0.50 -3.54 0.06 0.00 -1.02 0.00 0.00 39.78 35.78 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 -1.30 -1.02 0.00 7.41 0.00 -1.26 -4.98 105.19 104.04 2bpn n GLY 39 Ca -0.07 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 -3.62 0.00 -0.84 1.61 4.81 -1.19 -5.12 118.16 113.81 2bpn n LYS 40 Ca -0.10 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.01 2bpn n LYS 40 Cb 0.62 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.62 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 -4.43 1.64 1.02 -1.26 -3.45 120.64 114.16 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 -0.79 -0.10 0.00 -0.02 0.00 0.00 31.44 30.53 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 0.56 4.87 -0.08 1.62 2.15 -1.21 -4.83 116.67 119.75 2bpn s ASP 42 Ca 0.51 -0.03 0.11 0.00 0.43 0.00 0.00 52.55 53.57 2bpn s ASP 42 Cb -0.72 -1.23 0.17 0.00 -0.30 0.00 0.00 42.92 40.84 2bpn s ASP 42 CO 0.35 0.31 1.08 -1.22 -0.17 0.00 0.00 175.17 175.52 2bpn n TYR 43 N 1.75 0.00 -2.54 -5.34 4.02 -1.26 -4.49 117.16 109.30 2bpn n TYR 43 Ca -0.16 -0.59 -0.25 0.00 -0.01 0.00 0.00 57.90 56.89 2bpn n TYR 43 Cb 0.53 -0.11 0.03 0.00 -0.02 0.00 0.00 39.34 39.77 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 -1.68 2.84 0.24 -0.72 0.52 -1.26 -4.99 118.95 113.90 2bpn s ARG 44 Ca 0.19 -0.22 -0.22 0.00 -0.52 0.00 0.00 55.73 54.95 2bpn s ARG 44 Cb 0.16 -2.35 -0.14 0.00 0.52 0.00 0.00 34.95 33.14 2bpn s ARG 44 CO 0.02 -0.66 0.32 1.63 0.02 0.00 0.00 175.30 176.63 2bpn n LYS 45 N -2.48 0.00 -0.30 3.54 5.02 -1.26 -4.79 118.16 117.89 2bpn n LYS 45 Ca 0.04 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.30 2bpn n LYS 45 Cb 0.58 -0.87 0.08 0.00 -0.02 0.00 0.00 35.03 34.80 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 1.37 1.22 0.00 0.00 -1.26 -3.90 105.19 101.30 2bpn n GLY 47 Ca 0.08 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.12 -0.19 -3.03 2.61 -1.04 -1.26 -3.09 114.28 108.16 2bpn n THR 48 Ca 0.00 0.46 -0.40 0.00 -2.04 0.00 0.00 64.05 62.07 2bpn n THR 48 Cb 0.00 -0.83 -0.05 0.00 -1.82 0.00 0.00 70.33 67.63 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 -3.56 3.49 0.00 2.41 0.00 -1.26 -3.54 121.76 119.30 2bpn s ALA 49 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.88 2bpn s ALA 49 Cb 0.00 -3.05 0.00 0.00 0.00 0.00 0.00 23.12 20.07 2bpn s ALA 49 CO 0.00 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 175.69 2bpn n GLY 50 N 3.52 1.90 0.00 0.00 0.00 -1.26 -5.04 105.19 104.31 2bpn n GLY 50 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 3.95 1.24 -0.27 0.00 3.76 -1.18 -4.60 115.29 118.19 2bpn s HIS 52 Ca 0.00 2.15 0.11 0.00 -0.15 0.00 0.00 55.06 57.17 2bpn s HIS 52 Cb 0.00 -3.38 0.52 0.00 1.11 0.00 0.00 32.58 30.82 2bpn s HIS 52 CO 0.00 -0.89 1.47 -3.47 -0.85 0.00 0.00 174.74 171.00 2bpn n ASP 53 N 19.22 2.84 -4.30 1.40 2.03 -1.24 -4.16 116.55 132.33 2bpn n ASP 53 Ca 0.43 -3.58 -0.36 0.00 0.52 0.00 0.00 54.79 51.79 2bpn n ASP 53 Cb 0.46 -0.62 -0.13 0.00 -0.72 0.00 0.00 41.12 40.11 2bpn n ASP 53 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2bpn s SER 54 N -2.35 4.74 -0.48 1.67 0.15 -1.16 -4.99 113.70 111.27 2bpn s SER 54 Ca 0.44 -0.67 0.07 0.00 0.70 0.00 0.00 55.95 56.50 2bpn s SER 54 Cb 0.39 -1.79 0.38 0.00 -1.71 0.00 0.00 66.02 63.29 2bpn s SER 54 CO 0.02 -0.13 0.97 0.23 1.20 0.00 0.00 173.24 175.53 2bpn n MET 55 N 4.80 2.79 -1.96 5.44 2.81 -1.26 -1.21 117.12 128.53 2bpn n MET 55 Ca -0.16 -4.39 0.00 0.00 -1.81 0.00 0.00 57.70 51.35 2bpn n MET 55 Cb 0.48 -2.07 0.00 0.00 -0.71 0.00 0.00 33.22 30.92 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 -0.23 1.97 -3.64 7.83 -0.08 -1.26 -5.10 116.55 116.03 2bpn n ASP 56 Ca 0.31 -0.98 -0.29 0.00 -1.51 0.00 0.00 54.79 52.31 2bpn n ASP 56 Cb 0.56 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.88 2bpn n ASP 56 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2bpn s LYS 57 N -1.93 0.85 0.00 -0.67 2.47 -1.26 -4.84 119.74 114.36 2bpn s LYS 57 Ca 0.00 -1.44 0.00 0.00 -1.56 0.00 0.00 55.97 52.97 2bpn s LYS 57 Cb 0.00 -1.89 0.00 0.00 -1.46 0.00 0.00 37.83 34.48 2bpn s LYS 57 CO 0.00 -1.11 0.00 1.63 0.16 0.00 0.00 175.35 176.03 2bpn n LYS 58 N 4.20 0.00 -2.84 4.03 4.76 -1.26 -5.11 118.16 121.94 2bpn n LYS 58 Ca 0.05 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.07 2bpn n LYS 58 Cb 0.38 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.53 2bpn n LYS 58 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2bpn s ASP 59 N 0.00 6.89 -0.25 4.39 -1.08 -1.26 -4.90 116.67 120.46 2bpn s ASP 59 Ca 0.00 1.11 0.13 0.00 -0.52 0.00 0.00 52.55 53.27 2bpn s ASP 59 Cb 0.00 -2.46 0.60 0.00 -1.46 0.00 0.00 42.92 39.60 2bpn s ASP 59 CO 0.00 -0.55 1.56 2.29 0.52 0.00 0.00 175.17 178.99 2bpn n LYS 60 N 6.09 3.01 -0.19 4.34 2.85 -1.26 -4.54 118.16 128.45 2bpn n LYS 60 Ca 0.07 -3.01 -0.27 0.00 -1.05 0.00 0.00 58.31 54.05 2bpn n LYS 60 Cb 0.47 -1.97 0.26 0.00 -0.65 0.00 0.00 35.03 33.14 2bpn n LYS 60 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2bpn n SER 61 N -0.50 -3.96 0.00 -5.58 7.64 -1.26 -4.69 113.62 105.27 2bpn n SER 61 Ca 0.30 -0.78 0.06 0.00 1.01 0.00 0.00 58.87 59.46 2bpn n SER 61 Cb 1.09 -0.88 0.25 0.00 -1.01 0.00 0.00 64.21 63.66 2bpn n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bpn n ALA 62 N -5.53 1.54 0.15 -0.43 0.00 -1.26 -0.90 120.51 114.08 2bpn n ALA 62 Ca -0.17 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.34 2bpn n ALA 62 Cb 0.53 -1.19 0.05 0.00 0.00 0.00 0.00 19.45 18.84 2bpn n ALA 62 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2bpn h LYS 63 N 0.00 0.00 -6.28 0.00 1.79 -1.92 -3.43 116.57 106.73 2bpn h LYS 63 Ca 0.00 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.93 2bpn h LYS 63 Cb 0.20 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 30.86 2bpn h LYS 63 CO 0.00 0.00 1.27 0.20 -1.08 0.00 0.00 179.45 179.84 2bpn s GLY 64 N -4.30 1.26 0.01 3.86 0.00 -0.08 -2.98 107.32 105.09 2bpn s GLY 64 Ca 0.02 1.16 -0.25 0.00 0.00 0.00 0.00 44.72 45.65 2bpn s GLY 64 CO 0.76 3.49 1.37 -1.82 0.00 0.00 0.00 173.10 176.90 2bpn h TYR 65 N 11.42 -0.05 0.00 1.90 3.20 -1.44 -2.35 116.97 129.64 2bpn h TYR 65 Ca -0.47 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.40 2bpn h TYR 65 Cb 1.23 0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.52 2bpn h TYR 65 CO 0.95 0.30 0.00 0.98 -1.64 0.00 0.00 178.16 178.75 2bpn n TYR 66 N -4.95 0.00 0.98 -3.82 4.19 -1.26 -2.18 117.16 110.12 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 0.20 -0.06 -0.06 0.00 0.49 0.00 0.00 39.34 39.91 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 -1.06 0.00 -0.64 2.98 -0.00 -0.97 -3.55 115.22 111.98 2bpn n HIS 67 Ca 0.18 0.00 0.08 0.00 0.46 0.00 0.00 57.72 58.44 2bpn n HIS 67 Cb 0.11 -0.06 0.24 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 -1.52 1.76 -2.15 3.57 0.24 -0.92 -4.07 118.33 115.24 2bpn n VAL 68 Ca 0.04 -1.45 -0.01 0.00 -2.04 0.00 0.00 64.34 60.88 2bpn n VAL 68 Cb 0.34 0.08 -0.02 0.00 -1.47 0.00 0.00 33.84 32.76 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 0.11 0.00 0.00 7.34 -0.00 -1.23 -4.58 117.12 118.77 2bpn n MET 69 Ca 0.18 -1.13 0.00 0.00 -0.00 0.00 0.00 57.70 56.75 2bpn n MET 69 Cb 0.73 0.12 0.00 0.00 -0.00 0.00 0.00 33.22 34.07 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 -0.65 -1.24 3.17 -0.00 -1.23 -3.75 115.22 111.67 2bpn n HIS 70 Ca -0.09 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.26 2bpn n HIS 70 Cb 0.80 0.19 0.04 0.00 -0.00 0.00 0.00 29.99 31.02 2bpn n HIS 70 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 2bpn n ASP 71 N -1.57 -2.73 -0.04 0.41 -0.08 -1.26 -2.98 116.55 108.30 2bpn n ASP 71 Ca 0.00 0.57 0.01 0.00 -1.51 0.00 0.00 54.79 53.86 2bpn n ASP 71 Cb 0.00 -1.02 -0.00 0.00 2.34 0.00 0.00 41.12 42.44 2bpn n ASP 71 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 2bpn n LYS 72 N 0.59 3.24 -1.09 -0.67 2.85 -1.26 -4.37 118.16 117.45 2bpn n LYS 72 Ca 0.08 -0.28 -0.20 0.00 -1.05 0.00 0.00 58.31 56.85 2bpn n LYS 72 Cb 0.50 -0.79 0.01 0.00 -0.65 0.00 0.00 35.03 34.09 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 -0.53 6.52 -4.60 -5.58 5.03 -1.26 -4.89 115.26 109.94 2bpn n ASN 73 Ca 0.01 -3.13 -0.25 0.00 0.87 0.00 0.00 54.58 52.07 2bpn n ASN 73 Cb 0.04 -1.11 -0.09 0.00 -1.02 0.00 0.00 39.78 37.60 2bpn n ASN 73 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2bpn s THR 74 N -2.36 2.46 0.24 3.41 -4.23 -1.26 -5.03 115.64 108.87 2bpn s THR 74 Ca 0.41 -2.04 -0.07 0.00 -1.18 0.00 0.00 61.69 58.81 2bpn s THR 74 Cb 0.30 -2.76 0.22 0.00 1.34 0.00 0.00 72.50 71.60 2bpn s THR 74 CO -0.07 -0.19 1.87 0.50 -0.54 0.00 0.00 174.62 176.20 2bpn h LYS 75 N 1.87 1.28 -6.36 3.99 3.64 -1.99 -3.43 116.57 115.57 2bpn h LYS 75 Ca -0.43 -0.13 -0.61 0.00 -1.27 0.00 0.00 60.65 58.22 2bpn h LYS 75 Cb 1.25 -0.26 -0.12 0.00 -0.41 0.00 0.00 32.23 32.69 2bpn h LYS 75 CO 0.69 0.91 -0.69 -0.06 -2.27 0.00 0.00 179.45 178.03 2bpn s PHE 76 N -5.91 2.71 0.83 1.91 0.08 -1.26 -5.11 117.98 111.22 2bpn s PHE 76 Ca -0.13 -0.19 -0.11 0.00 0.12 0.00 0.00 56.93 56.62 2bpn s PHE 76 Cb 0.17 -1.30 0.09 0.00 -0.57 0.00 0.00 43.02 41.41 2bpn s PHE 76 CO 0.83 0.53 1.14 0.15 -0.10 0.00 0.00 175.22 177.77 2bpn s LYS 77 N -3.02 1.68 0.00 0.44 1.02 -1.26 -4.95 119.74 113.65 2bpn s LYS 77 Ca 0.27 1.45 0.00 0.00 0.02 0.00 0.00 55.97 57.71 2bpn s LYS 77 Cb -0.09 -1.81 0.00 0.00 -0.52 0.00 0.00 37.83 35.41 2bpn s LYS 77 CO 0.17 -2.12 0.00 0.43 -0.92 0.00 0.00 175.35 172.91 2bpn n SER 78 N -3.68 0.00 0.00 2.83 7.64 -1.26 -4.87 113.62 114.27 2bpn n SER 78 Ca 0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.99 2bpn n SER 78 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 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 0.00 1.57 0.00 0.00 2.07 -1.70 -3.21 116.25 114.98 2bpn h VAL 80 Ca 0.00 -2.92 0.00 0.00 0.82 0.00 0.00 66.70 64.60 2bpn h VAL 80 Cb 0.64 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 33.06 2bpn h VAL 80 CO 0.00 0.84 0.00 0.61 0.02 0.00 0.00 177.57 179.04 2bpn n GLY 81 N 1.09 -2.74 0.30 2.17 0.00 -1.16 0.12 105.19 104.97 2bpn n GLY 81 Ca -0.03 0.22 0.03 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 0.76 -0.14 0.00 3.86 -1.45 0.31 115.15 118.49 2bpn h HIS 83 Ca 0.40 0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 59.50 2bpn h HIS 83 Cb 0.62 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 2bpn h HIS 83 CO -0.63 0.34 -0.47 0.28 0.86 0.00 0.00 177.93 178.30 2bpn h VAL 84 N 0.69 1.33 -0.00 2.45 2.07 1.02 1.99 116.25 125.80 2bpn h VAL 84 Ca 0.38 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 66.22 2bpn h VAL 84 Cb 0.54 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.04 2bpn h VAL 84 CO -0.15 0.51 -0.10 -0.62 0.02 0.00 0.00 177.57 177.22 2bpn n GLU 85 N -3.98 0.24 -0.04 1.57 -0.58 0.53 -4.07 120.64 114.31 2bpn n GLU 85 Ca -0.02 -0.05 -0.08 0.00 -0.42 0.00 0.00 57.16 56.59 2bpn n GLU 85 Cb 0.54 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.88 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 -1.34 1.30 -0.88 2.62 0.31 0.78 -4.67 118.33 116.45 2bpn n VAL 86 Ca 0.10 0.16 -0.24 0.00 -0.01 0.00 0.00 64.34 64.34 2bpn n VAL 86 Cb 0.31 -1.98 -0.04 0.00 -0.91 0.00 0.00 33.84 31.22 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 -4.01 5.47 -1.88 3.52 0.00 0.67 -3.86 120.51 120.42 2bpn n ALA 87 Ca -0.13 -2.27 0.04 0.00 0.00 0.00 0.00 53.44 51.08 2bpn n ALA 87 Cb 0.39 -2.98 0.08 0.00 0.00 0.00 0.00 19.45 16.94 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 3.53 2.49 0.03 0.00 0.00 -1.26 -4.55 105.19 105.44 2bpn n GLY 88 Ca 0.51 -0.75 -0.03 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.37 1.87 -2.65 4.61 0.00 -1.25 -5.03 120.51 117.69 2bpn n ALA 89 Ca 0.09 -0.33 -0.20 0.00 0.00 0.00 0.00 53.44 53.00 2bpn n ALA 89 Cb 0.82 0.18 -0.12 0.00 0.00 0.00 0.00 19.45 20.32 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 -3.81 1.90 -0.30 0.00 2.15 -1.26 -5.02 116.67 110.32 2bpn s ASP 90 Ca -0.04 -0.61 0.05 0.00 0.43 0.00 0.00 52.55 52.38 2bpn s ASP 90 Cb 0.02 -0.08 0.53 0.00 -0.30 0.00 0.00 42.92 43.08 2bpn s ASP 90 CO 0.20 -0.02 1.64 0.00 -0.17 0.00 0.00 175.17 176.82 2bpn n ALA 91 N 1.35 4.55 -0.02 3.66 0.00 -1.26 -3.84 120.51 124.95 2bpn n ALA 91 Ca -0.20 -2.01 -0.04 0.00 0.00 0.00 0.00 53.44 51.18 2bpn n ALA 91 Cb 0.54 -1.28 -0.01 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.47 1.97 0.28 0.00 0.00 -1.26 -4.60 120.51 116.43 2bpn n ALA 92 Ca 0.40 -0.39 0.14 0.00 0.00 0.00 0.00 53.44 53.59 2bpn n ALA 92 Cb 1.29 0.14 0.81 0.00 0.00 0.00 0.00 19.45 21.69 2bpn n ALA 92 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2bpn h LYS 93 N -0.47 0.00 0.00 0.00 1.63 -1.95 -0.87 116.57 114.90 2bpn h LYS 93 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2bpn h LYS 93 Cb 0.47 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.10 2bpn h LYS 93 CO 0.00 0.08 0.19 1.57 -3.45 0.00 0.00 179.45 177.83 2bpn h LYS 94 N 0.00 0.00 -0.43 1.90 5.09 -1.80 1.77 116.57 123.10 2bpn h LYS 94 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 2bpn h LYS 94 Cb 0.24 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.57 2bpn h LYS 94 CO 0.01 0.00 0.00 1.17 -2.09 0.00 0.00 179.45 178.54 2bpn n LYS 95 N -2.60 3.81 0.00 0.07 3.00 -0.33 -3.10 118.16 119.01 2bpn n LYS 95 Ca -0.02 -2.95 0.00 0.00 -0.00 0.00 0.00 58.31 55.34 2bpn n LYS 95 Cb 0.23 -2.00 0.00 0.00 0.00 0.00 0.00 35.03 33.26 2bpn n LYS 95 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2bpn n ASP 96 N 0.14 0.57 0.04 3.14 9.92 0.53 -4.27 116.55 126.62 2bpn n ASP 96 Ca 0.24 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 54.31 2bpn n ASP 96 Cb 1.00 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 41.35 2bpn n ASP 96 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2bpn h LEU 97 N 0.00 0.53 -1.93 0.64 3.38 0.45 -2.92 115.31 115.47 2bpn h LEU 97 Ca 0.00 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.10 2bpn h LEU 97 Cb 0.23 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2bpn h LEU 97 CO 0.00 1.35 0.00 0.35 0.09 0.00 0.00 178.44 180.23 2bpn n THR 98 N -4.12 0.30 -0.92 0.22 -2.24 -1.23 -4.89 114.28 101.41 2bpn n THR 98 Ca -0.13 -0.65 -0.33 0.00 -2.27 0.00 0.00 64.05 60.67 2bpn n THR 98 Cb 0.79 1.05 0.13 0.00 -2.10 0.00 0.00 70.33 70.19 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 0.75 -1.01 0.11 3.38 0.00 -1.18 -4.92 105.19 102.33 2bpn n GLY 99 Ca 0.10 -0.62 -0.15 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.41 2.82 0.00 0.00 2.47 -1.26 -4.54 119.74 116.81 2bpn s LYS 101 Ca -0.28 -0.81 0.00 0.00 -1.56 0.00 0.00 55.97 53.32 2bpn s LYS 101 Cb 0.07 -2.15 0.00 0.00 -1.46 0.00 0.00 37.83 34.29 2bpn s LYS 101 CO 0.47 0.16 0.00 1.17 0.16 0.00 0.00 175.35 177.32 2bpn n LYS 102 N 3.54 0.00 -1.56 4.03 4.81 -0.27 -4.98 118.16 123.73 2bpn n LYS 102 Ca -0.20 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 56.90 2bpn n LYS 102 Cb 0.53 -1.03 0.08 0.00 0.02 0.00 0.00 35.03 34.63 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 -3.21 4.43 0.27 3.14 0.15 -0.76 -4.53 113.70 113.18 2bpn s SER 103 Ca 0.00 2.36 -0.01 0.00 0.70 0.00 0.00 55.95 59.00 2bpn s SER 103 Cb 0.00 -2.59 0.48 0.00 -1.71 0.00 0.00 66.02 62.20 2bpn s SER 103 CO 0.00 -2.11 1.85 0.11 1.20 0.00 0.00 173.24 174.29 2bpn h LYS 104 N -0.04 1.01 0.01 5.44 6.56 -1.87 1.37 116.57 129.05 2bpn h LYS 104 Ca -0.48 -0.06 -0.00 0.00 -1.06 0.00 0.00 60.65 59.05 2bpn h LYS 104 Cb 1.30 -0.23 0.00 0.00 -0.57 0.00 0.00 32.23 32.73 2bpn h LYS 104 CO 0.51 0.67 -0.00 0.00 -2.06 0.00 0.00 179.45 178.56 2bpn n HIS 106 N -4.84 3.21 0.85 0.00 8.25 -0.65 -4.53 115.22 117.52 2bpn n HIS 106 Ca -0.09 -3.58 0.10 0.00 -0.26 0.00 0.00 57.72 53.89 2bpn n HIS 106 Cb 0.27 -0.80 0.08 0.00 1.12 0.00 0.00 29.99 30.67 2bpn n HIS 106 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07