#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bpn h PRO 2 N 0.00 0.00 -3.63 0.00 0.13 -2.07 -3.49 132.00 122.94 2bpn h PRO 2 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2bpn h PRO 2 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2bpn h PRO 2 CO 0.00 0.00 -0.88 1.63 -0.23 0.00 0.00 178.00 178.52 2bpn n LYS 3 N -2.97 -4.52 -1.68 0.86 5.02 -1.26 -4.69 118.16 108.91 2bpn n LYS 3 Ca 0.01 3.34 -0.51 0.00 -2.02 0.00 0.00 58.31 59.13 2bpn n LYS 3 Cb 0.31 -3.73 -0.05 0.00 -0.02 0.00 0.00 35.03 31.53 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 -0.52 0.59 -1.56 7.82 0.00 -1.26 -4.95 120.51 120.64 2bpn n ALA 4 Ca 0.00 0.33 -0.30 0.00 0.00 0.00 0.00 53.44 53.47 2bpn n ALA 4 Cb 0.00 -2.40 0.21 0.00 0.00 0.00 0.00 19.45 17.25 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 3.56 -0.12 0.21 0.00 0.04 -1.26 -5.03 135.00 132.38 2bpn s PRO 5 Ca 0.93 -0.24 -0.18 0.00 0.04 0.00 0.00 61.00 61.55 2bpn s PRO 5 Cb -0.79 -1.74 -0.08 0.00 0.04 0.00 0.00 34.50 31.93 2bpn s PRO 5 CO 0.54 -2.95 0.68 0.00 0.04 0.00 0.00 177.00 175.30 2bpn s ALA 6 N -3.49 3.45 0.38 8.56 0.00 -1.26 -4.92 121.76 124.48 2bpn s ALA 6 Ca 0.72 0.08 -0.17 0.00 0.00 0.00 0.00 51.96 52.59 2bpn s ALA 6 Cb -0.07 -2.74 -0.13 0.00 0.00 0.00 0.00 23.12 20.18 2bpn s ALA 6 CO 0.54 0.36 0.02 -0.25 0.00 0.00 0.00 175.76 176.43 2bpn n ASP 7 N 0.70 -2.71 0.00 0.00 8.00 -1.26 -4.76 116.55 116.52 2bpn n ASP 7 Ca -0.03 0.66 0.00 0.00 0.71 0.00 0.00 54.79 56.13 2bpn n ASP 7 Cb 0.51 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 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 2.07 0.00 2.98 0.44 0.00 -1.26 -5.10 105.19 104.33 2bpn n GLY 8 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 2bpn n GLY 8 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2bpn s LEU 9 N 0.00 1.63 -0.03 0.99 0.05 -1.26 -5.14 118.68 114.92 2bpn s LEU 9 Ca 0.00 -0.21 0.02 0.00 0.05 0.00 0.00 54.13 53.99 2bpn s LEU 9 Cb 0.00 -0.62 0.01 0.00 -2.05 0.00 0.00 46.19 43.53 2bpn s LEU 9 CO 0.00 0.03 -0.07 -1.59 -0.55 0.00 0.00 176.35 174.17 2bpn s LYS 10 N 0.52 0.81 -0.89 1.48 0.00 -1.26 -2.82 119.74 117.57 2bpn s LYS 10 Ca -0.09 -0.21 -0.04 0.00 0.00 0.00 0.00 55.97 55.63 2bpn s LYS 10 Cb -0.12 -0.78 0.22 0.00 0.00 0.00 0.00 37.83 37.15 2bpn s LYS 10 CO 0.01 0.05 0.79 -1.64 0.00 0.00 0.00 175.35 174.56 2bpn s MET 11 N 0.37 3.36 -0.31 1.78 -1.94 -0.32 -4.83 119.30 117.41 2bpn s MET 11 Ca -0.05 -3.11 0.07 0.00 -1.71 0.00 0.00 55.69 50.89 2bpn s MET 11 Cb -0.09 -4.06 0.46 0.00 2.01 0.00 0.00 34.83 33.14 2bpn s MET 11 CO 0.00 -1.25 1.27 -0.85 -0.01 0.00 0.00 175.02 174.18 2bpn n GLU 12 N 2.67 3.25 0.24 2.03 0.28 -1.26 -2.09 120.64 125.76 2bpn n GLU 12 Ca 0.19 -3.97 0.16 0.00 -0.16 0.00 0.00 57.16 53.39 2bpn n GLU 12 Cb 0.38 -2.19 0.71 0.00 1.43 0.00 0.00 31.44 31.78 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 1.99 1.00 -3.00 -1.84 0.00 -1.88 -3.44 119.26 112.09 2bpn h ALA 13 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2bpn h ALA 13 Cb 1.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2bpn h ALA 13 CO 0.72 0.00 0.00 0.25 0.00 0.00 0.00 179.25 180.22 2bpn n THR 14 N -2.81 0.00 -0.29 0.00 -2.24 -1.26 -4.99 114.28 102.69 2bpn n THR 14 Ca 0.00 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 2bpn n THR 14 Cb 0.23 -0.40 0.14 0.00 -2.10 0.00 0.00 70.33 68.21 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 2.18 -3.31 -0.78 5.02 -1.26 -4.54 118.16 115.47 2bpn n LYS 15 Ca 0.00 -1.83 -0.14 0.00 -2.02 0.00 0.00 58.31 54.32 2bpn n LYS 15 Cb 0.00 -1.78 -0.06 0.00 -0.02 0.00 0.00 35.03 33.17 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 -2.00 0.71 -0.18 1.97 1.11 -1.26 -5.11 119.66 114.88 2bpn s GLN 16 Ca 0.34 -0.86 -0.29 0.00 0.01 0.00 0.00 55.36 54.56 2bpn s GLN 16 Cb 0.28 -0.61 -0.03 0.00 -1.01 0.00 0.00 33.01 31.64 2bpn s GLN 16 CO 0.07 -1.21 1.68 -2.14 0.01 0.00 0.00 175.29 173.70 2bpn s PRO 17 N 1.38 3.82 -0.16 2.91 0.02 -1.26 -4.55 135.00 137.16 2bpn s PRO 17 Ca 0.18 1.81 -0.01 0.00 0.02 0.00 0.00 61.00 63.00 2bpn s PRO 17 Cb -0.12 -4.06 0.05 0.00 0.02 0.00 0.00 34.50 30.39 2bpn s PRO 17 CO -0.04 -1.27 -0.02 0.08 -0.33 0.00 0.00 177.00 175.43 2bpn s VAL 18 N 5.20 0.82 0.22 3.83 1.01 -0.89 -4.92 120.40 125.67 2bpn s VAL 18 Ca 0.74 -0.50 -0.15 0.00 0.00 0.00 0.00 61.98 62.08 2bpn s VAL 18 Cb -0.27 -1.10 -0.08 0.00 0.00 0.00 0.00 36.38 34.93 2bpn s VAL 18 CO 0.30 0.04 0.62 0.54 0.00 0.00 0.00 175.10 176.60 2bpn s VAL 19 N 1.75 4.78 -0.11 2.92 0.11 -1.26 -1.17 120.40 127.41 2bpn s VAL 19 Ca 0.01 0.87 -0.03 0.00 -2.93 0.00 0.00 61.98 59.90 2bpn s VAL 19 Cb -0.15 -3.71 0.05 0.00 -1.53 0.00 0.00 36.38 31.04 2bpn s VAL 19 CO -0.07 0.08 0.12 0.12 -3.33 0.00 0.00 175.10 172.02 2bpn s PHE 20 N -1.66 -0.04 0.01 1.54 2.19 -1.13 -4.95 117.98 113.94 2bpn s PHE 20 Ca 0.44 0.26 -0.16 0.00 0.33 0.00 0.00 56.93 57.80 2bpn s PHE 20 Cb -0.14 -0.43 -0.06 0.00 -1.31 0.00 0.00 43.02 41.09 2bpn s PHE 20 CO 0.20 -0.34 0.45 -0.80 1.83 0.00 0.00 175.22 176.56 2bpn s ASN 21 N 2.23 6.87 0.32 6.13 -0.87 -1.26 -4.58 114.94 123.78 2bpn s ASN 21 Ca 0.04 1.04 0.06 0.00 -1.57 0.00 0.00 52.86 52.43 2bpn s ASN 21 Cb -0.13 -2.28 0.55 0.00 -0.02 0.00 0.00 41.25 39.37 2bpn s ASN 21 CO -0.06 0.29 1.78 0.45 -2.57 0.00 0.00 177.10 176.99 2bpn h HIS 22 N 4.79 0.34 -0.93 2.20 3.86 -1.91 -2.64 115.15 120.86 2bpn h HIS 22 Ca -0.50 -0.07 0.09 0.00 -1.16 0.00 0.00 60.37 58.73 2bpn h HIS 22 Cb 1.22 -0.08 -0.07 0.00 1.06 0.00 0.00 27.41 29.53 2bpn h HIS 22 CO 0.70 0.55 0.60 0.66 0.86 0.00 0.00 177.93 181.29 2bpn h SER 23 N 0.27 0.86 0.12 2.45 4.64 -1.93 1.15 113.55 121.11 2bpn h SER 23 Ca 0.04 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2bpn h SER 23 Cb 0.62 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2bpn h SER 23 CO 0.04 0.51 -0.01 0.35 -0.87 0.00 0.00 176.83 176.86 2bpn n THR 24 N -4.53 0.00 -2.70 2.95 -2.24 -1.00 -3.66 114.28 103.10 2bpn n THR 24 Ca 0.16 -0.02 -0.08 0.00 -2.27 0.00 0.00 64.05 61.83 2bpn n THR 24 Cb 0.29 -0.41 0.07 0.00 -2.10 0.00 0.00 70.33 68.18 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 -0.97 -0.62 0.30 4.78 8.25 0.21 -4.89 115.22 122.29 2bpn n HIS 25 Ca 0.21 -2.41 0.09 0.00 -0.26 0.00 0.00 57.72 55.35 2bpn n HIS 25 Cb 0.16 0.57 -0.12 0.00 1.12 0.00 0.00 29.99 31.71 2bpn n HIS 25 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2bpn n LYS 26 N -0.28 0.80 -0.76 -0.41 4.76 0.33 -4.31 118.16 118.29 2bpn n LYS 26 Ca 0.04 -0.10 -0.15 0.00 -2.87 0.00 0.00 58.31 55.23 2bpn n LYS 26 Cb 0.83 -1.39 0.09 0.00 -1.84 0.00 0.00 35.03 32.71 2bpn n LYS 26 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2bpn n SER 27 N -1.86 4.31 -3.88 4.39 3.41 -1.26 -4.82 113.62 113.90 2bpn n SER 27 Ca -0.01 -2.98 -0.14 0.00 -0.26 0.00 0.00 58.87 55.49 2bpn n SER 27 Cb 0.40 -0.79 -0.14 0.00 -0.26 0.00 0.00 64.21 63.42 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 -2.08 0.12 0.29 -3.33 1.01 -1.26 -5.12 120.40 110.03 2bpn s VAL 28 Ca 0.33 -0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.97 2bpn s VAL 28 Cb 0.27 -0.12 -0.12 0.00 0.00 0.00 0.00 36.38 36.41 2bpn s VAL 28 CO 0.04 0.05 1.47 1.17 0.00 0.00 0.00 175.10 177.83 2bpn n LYS 29 N 3.18 2.38 0.26 2.72 4.81 -1.26 -4.82 118.16 125.42 2bpn n LYS 29 Ca -0.14 0.84 0.16 0.00 -0.87 0.00 0.00 58.31 58.31 2bpn n LYS 29 Cb 0.58 -2.54 0.90 0.00 0.02 0.00 0.00 35.03 33.99 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 -1.34 -0.94 0.09 0.00 0.00 -1.26 0.12 105.19 101.86 2bpn n GLY 31 Ca -0.01 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 0.21 0.00 1.61 3.58 -0.06 -3.36 116.42 118.40 2bpn h ASP 32 Ca 0.00 -0.26 -0.27 0.00 0.42 0.00 0.00 57.03 56.92 2bpn h ASP 32 Cb 0.16 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.11 2bpn h ASP 32 CO 0.00 1.21 -1.91 0.00 -2.88 0.00 0.00 179.24 175.66 2bpn n HIS 34 N -3.66 4.40 -1.31 0.00 8.25 0.33 -5.01 115.22 118.22 2bpn n HIS 34 Ca -0.32 -3.23 -0.31 0.00 -0.26 0.00 0.00 57.72 53.60 2bpn n HIS 34 Cb 0.73 -2.08 0.09 0.00 1.12 0.00 0.00 29.99 29.85 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 0.99 2.50 0.17 4.41 -0.00 -1.26 -4.11 115.29 118.00 2bpn s HIS 35 Ca 0.41 1.57 -0.32 0.00 -0.00 0.00 0.00 55.06 56.73 2bpn s HIS 35 Cb 0.00 -3.10 -0.10 0.00 -0.00 0.00 0.00 32.58 29.38 2bpn s HIS 35 CO 0.00 -1.87 1.58 -2.14 -0.00 0.00 0.00 174.74 172.31 2bpn s PRO 36 N -4.71 4.21 -0.19 -0.38 0.02 -1.26 -3.51 135.00 129.17 2bpn s PRO 36 Ca 0.63 2.38 -0.02 0.00 0.02 0.00 0.00 61.00 64.01 2bpn s PRO 36 Cb -0.18 -3.15 0.06 0.00 0.02 0.00 0.00 34.50 31.24 2bpn s PRO 36 CO 0.53 -0.62 0.01 0.08 -0.33 0.00 0.00 177.00 176.67 2bpn s VAL 37 N 1.16 0.76 -0.57 3.83 1.01 -1.21 -4.76 120.40 120.62 2bpn s VAL 37 Ca 0.70 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 62.02 2bpn s VAL 37 Cb -0.44 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 34.78 2bpn s VAL 37 CO 0.31 -0.11 0.50 -3.20 0.00 0.00 0.00 175.10 172.60 2bpn n ASN 38 N 4.97 -3.83 -3.80 3.32 4.05 -1.26 -3.17 115.26 115.54 2bpn n ASN 38 Ca -0.10 -0.23 -0.26 0.00 0.45 0.00 0.00 54.58 54.45 2bpn n ASN 38 Cb 0.47 -2.42 0.03 0.00 1.23 0.00 0.00 39.78 39.09 2bpn n ASN 38 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2bpn n GLY 39 N -1.14 -0.40 3.15 8.20 0.00 -1.26 -4.94 105.19 108.79 2bpn n GLY 39 Ca 0.00 0.17 0.05 0.00 0.00 0.00 0.00 46.02 46.24 2bpn n GLY 39 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bpn s LYS 40 N -6.31 0.25 -0.08 1.61 2.20 -1.19 -5.12 119.74 111.09 2bpn s LYS 40 Ca 0.35 0.30 -0.28 0.00 -0.36 0.00 0.00 55.97 55.99 2bpn s LYS 40 Cb -0.18 0.15 -0.13 0.00 -1.51 0.00 0.00 37.83 36.16 2bpn s LYS 40 CO 0.82 -0.40 0.80 0.39 -0.36 0.00 0.00 175.35 176.60 2bpn n GLU 41 N 5.28 0.00 -4.48 4.03 1.02 -1.26 -3.29 120.64 121.94 2bpn n GLU 41 Ca 0.04 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.87 2bpn n GLU 41 Cb 0.56 -1.00 -0.12 0.00 -0.02 0.00 0.00 31.44 30.86 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 0.48 3.93 -0.04 1.62 -1.08 -1.23 -4.83 116.67 115.53 2bpn s ASP 42 Ca 0.63 -0.45 0.07 0.00 -0.52 0.00 0.00 52.55 52.28 2bpn s ASP 42 Cb -0.88 -0.64 0.11 0.00 -1.46 0.00 0.00 42.92 40.05 2bpn s ASP 42 CO 0.42 0.22 1.06 -1.22 0.52 0.00 0.00 175.17 176.17 2bpn n TYR 43 N 1.21 0.00 -2.12 -5.34 4.02 -1.26 -4.49 117.16 109.18 2bpn n TYR 43 Ca -0.16 -0.34 -0.27 0.00 -0.01 0.00 0.00 57.90 57.12 2bpn n TYR 43 Cb 0.52 -0.09 0.06 0.00 -0.02 0.00 0.00 39.34 39.82 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 -0.88 2.38 -0.19 -0.72 0.52 -1.26 -4.93 118.95 113.88 2bpn s ARG 44 Ca 0.12 -0.01 -0.42 0.00 -0.52 0.00 0.00 55.73 54.90 2bpn s ARG 44 Cb 0.11 -2.11 -0.20 0.00 0.52 0.00 0.00 34.95 33.27 2bpn s ARG 44 CO -0.00 -1.19 1.25 1.63 0.02 0.00 0.00 175.30 177.01 2bpn n LYS 45 N -2.97 0.00 -0.32 3.54 5.02 -1.26 -4.72 118.16 117.45 2bpn n LYS 45 Ca 0.07 0.00 0.19 0.00 -2.02 0.00 0.00 58.31 56.56 2bpn n LYS 45 Cb 0.60 -1.47 0.39 0.00 -0.02 0.00 0.00 35.03 34.53 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 -1.36 1.52 1.47 0.00 0.00 -1.26 -3.96 105.19 101.60 2bpn n GLY 47 Ca 0.27 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.30 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 -2.23 -2.05 2.61 -1.04 -1.24 -3.48 114.28 106.85 2bpn n THR 48 Ca 0.00 1.14 -0.42 0.00 -2.04 0.00 0.00 64.05 62.73 2bpn n THR 48 Cb 0.00 -1.89 -0.03 0.00 -1.82 0.00 0.00 70.33 66.59 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 -5.10 3.63 0.00 2.41 0.00 -1.26 -2.39 121.76 119.05 2bpn s ALA 49 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 51.96 52.95 2bpn s ALA 49 Cb 0.00 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.43 2bpn s ALA 49 CO 0.00 -1.18 0.00 0.41 0.00 0.00 0.00 175.76 174.99 2bpn n GLY 50 N 3.96 1.27 0.00 0.00 0.00 -1.26 -5.06 105.19 104.09 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 s HIS 52 N 2.07 1.18 -0.24 0.00 3.76 -1.23 -4.57 115.29 116.26 2bpn s HIS 52 Ca 0.00 2.35 0.12 0.00 -0.15 0.00 0.00 55.06 57.38 2bpn s HIS 52 Cb 0.00 -3.31 0.49 0.00 1.11 0.00 0.00 32.58 30.87 2bpn s HIS 52 CO 0.00 -0.74 1.41 -0.40 -0.85 0.00 0.00 174.74 174.16 2bpn n ASP 53 N 19.81 2.77 -4.52 1.40 5.75 -1.24 -4.09 116.55 136.43 2bpn n ASP 53 Ca 0.42 -3.53 -0.37 0.00 -0.01 0.00 0.00 54.79 51.30 2bpn n ASP 53 Cb 0.46 -0.59 -0.12 0.00 -1.03 0.00 0.00 41.12 39.85 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 -2.46 5.51 -0.43 -1.12 0.15 -1.23 -4.99 113.70 109.13 2bpn s SER 54 Ca 0.42 -0.10 0.10 0.00 0.70 0.00 0.00 55.95 57.07 2bpn s SER 54 Cb 0.38 -2.00 0.36 0.00 -1.71 0.00 0.00 66.02 63.05 2bpn s SER 54 CO 0.02 -0.02 0.84 0.23 1.20 0.00 0.00 173.24 175.51 2bpn n MET 55 N 4.83 1.80 -4.51 5.44 2.81 -1.26 -2.13 117.12 124.10 2bpn n MET 55 Ca -0.15 -3.87 -0.24 0.00 -1.81 0.00 0.00 57.70 51.62 2bpn n MET 55 Cb 0.52 -1.85 -0.10 0.00 -0.71 0.00 0.00 33.22 31.07 2bpn n MET 55 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2bpn s ASP 56 N -2.87 2.81 -0.91 7.83 2.15 -1.26 -5.09 116.67 119.33 2bpn s ASP 56 Ca 0.42 -1.43 -0.02 0.00 0.43 0.00 0.00 52.55 51.95 2bpn s ASP 56 Cb 0.34 -0.04 0.23 0.00 -0.30 0.00 0.00 42.92 43.15 2bpn s ASP 56 CO -0.09 -0.63 0.81 1.17 -0.17 0.00 0.00 175.17 176.26 2bpn n LYS 57 N -0.80 2.70 0.00 4.34 4.81 -1.26 -4.70 118.16 123.25 2bpn n LYS 57 Ca -0.04 -4.48 0.00 0.00 -0.87 0.00 0.00 58.31 52.91 2bpn n LYS 57 Cb 0.67 -2.42 0.00 0.00 0.02 0.00 0.00 35.03 33.30 2bpn n LYS 57 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2bpn n LYS 58 N 2.26 0.00 -1.72 1.64 4.76 -1.26 -5.11 118.16 118.73 2bpn n LYS 58 Ca 0.22 0.00 -0.67 0.00 -2.87 0.00 0.00 58.31 54.99 2bpn n LYS 58 Cb 0.37 0.00 -0.10 0.00 -1.84 0.00 0.00 35.03 33.46 2bpn n LYS 58 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2bpn n ASP 59 N 0.00 1.19 -0.09 4.39 -0.08 -1.26 -4.91 116.55 115.78 2bpn n ASP 59 Ca 0.00 1.17 0.00 0.00 -1.51 0.00 0.00 54.79 54.45 2bpn n ASP 59 Cb 0.00 -0.87 0.00 0.00 2.34 0.00 0.00 41.12 42.59 2bpn n ASP 59 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2bpn n LYS 60 N 4.03 3.29 0.00 -0.67 3.00 -1.26 -4.74 118.16 121.81 2bpn n LYS 60 Ca 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.62 2bpn n LYS 60 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 35.03 34.97 2bpn n LYS 60 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2bpn n SER 61 N 0.00 0.00 0.14 3.14 7.64 -1.26 -3.95 113.62 119.32 2bpn n SER 61 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 58.87 60.00 2bpn n SER 61 Cb 0.00 0.00 0.49 0.00 -1.01 0.00 0.00 64.21 63.69 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 0.00 1.00 -0.26 -0.43 0.00 -1.98 -2.51 119.26 115.08 2bpn h ALA 62 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2bpn h ALA 62 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2bpn h ALA 62 CO 0.00 0.00 -0.11 0.87 0.00 0.00 0.00 179.25 180.01 2bpn h LYS 63 N 0.00 0.42 -6.13 0.00 1.79 -1.92 -3.44 116.57 107.28 2bpn h LYS 63 Ca 0.00 -0.11 -0.76 0.00 -2.18 0.00 0.00 60.65 57.60 2bpn h LYS 63 Cb 0.42 -0.05 0.03 0.00 -1.58 0.00 0.00 32.23 31.05 2bpn h LYS 63 CO 0.00 0.54 0.68 0.41 -1.08 0.00 0.00 179.45 180.00 2bpn n GLY 64 N -0.74 0.53 0.07 3.86 0.00 -0.95 -3.51 105.19 104.46 2bpn n GLY 64 Ca 0.00 0.88 -0.13 0.00 0.00 0.00 0.00 46.02 46.77 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 5.79 0.07 0.00 1.61 3.20 -1.70 -2.80 116.97 123.13 2bpn h TYR 65 Ca -0.47 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.38 2bpn h TYR 65 Cb 1.34 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.60 2bpn h TYR 65 CO 0.69 0.63 0.00 2.48 -1.64 0.00 0.00 178.16 180.32 2bpn n TYR 66 N -4.76 0.00 1.06 -3.82 0.18 -1.26 -2.52 117.16 106.05 2bpn n TYR 66 Ca -0.09 0.00 0.12 0.00 1.88 0.00 0.00 57.90 59.82 2bpn n TYR 66 Cb 0.32 -0.44 0.32 0.00 -0.38 0.00 0.00 39.34 39.15 2bpn n TYR 66 CO 0.00 0.00 0.00 1.58 -2.08 0.00 0.00 176.86 176.36 2bpn n HIS 67 N -1.44 0.00 -1.06 -3.48 -0.00 -1.16 -3.07 115.22 105.00 2bpn n HIS 67 Ca 0.08 0.00 0.06 0.00 0.46 0.00 0.00 57.72 58.33 2bpn n HIS 67 Cb 0.30 -0.24 0.25 0.00 -0.12 0.00 0.00 29.99 30.17 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 -1.32 2.34 -2.02 3.57 0.24 -1.05 -4.25 118.33 115.85 2bpn n VAL 68 Ca 0.07 -2.00 -0.05 0.00 -2.04 0.00 0.00 64.34 60.32 2bpn n VAL 68 Cb 0.34 -0.27 -0.05 0.00 -1.47 0.00 0.00 33.84 32.38 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 -0.61 0.00 0.00 7.34 -0.00 -1.23 -4.78 117.12 117.84 2bpn n MET 69 Ca 0.23 -0.86 0.00 0.00 -0.00 0.00 0.00 57.70 57.08 2bpn n MET 69 Cb 0.92 0.38 0.00 0.00 -0.00 0.00 0.00 33.22 34.53 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 0.02 -0.52 -0.88 3.17 -0.00 -1.18 -3.57 115.22 112.26 2bpn n HIS 70 Ca -0.22 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.17 2bpn n HIS 70 Cb 0.68 0.27 0.12 0.00 -0.00 0.00 0.00 29.99 31.06 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 -1.81 -1.17 -0.04 0.41 2.03 -1.26 -3.09 116.55 111.61 2bpn n ASP 71 Ca 0.00 0.41 -0.05 0.00 0.52 0.00 0.00 54.79 55.68 2bpn n ASP 71 Cb 0.00 -1.29 -0.05 0.00 -0.72 0.00 0.00 41.12 39.06 2bpn n ASP 71 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2bpn n LYS 72 N -2.18 1.70 -0.09 -0.67 2.85 -1.26 -4.17 118.16 114.33 2bpn n LYS 72 Ca 0.09 0.02 0.26 0.00 -1.05 0.00 0.00 58.31 57.63 2bpn n LYS 72 Cb 0.52 -1.19 0.65 0.00 -0.65 0.00 0.00 35.03 34.37 2bpn n LYS 72 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 177.40 176.44 2bpn h ASN 73 N 0.00 0.00 -1.95 -5.58 4.21 -1.92 -3.42 115.58 106.92 2bpn h ASN 73 Ca -0.20 0.00 -0.51 0.00 1.21 0.00 0.00 56.30 56.80 2bpn h ASN 73 Cb 1.39 0.00 0.24 0.00 -1.12 0.00 0.00 38.32 38.84 2bpn h ASN 73 CO -0.01 0.00 -1.82 0.35 -1.29 0.00 0.00 177.43 174.67 2bpn n THR 74 N -3.62 0.00 -0.30 2.81 -2.24 -1.26 -4.83 114.28 104.84 2bpn n THR 74 Ca 0.16 -0.25 -0.05 0.00 -2.27 0.00 0.00 64.05 61.65 2bpn n THR 74 Cb 1.05 -0.21 0.09 0.00 -2.10 0.00 0.00 70.33 69.17 2bpn n THR 74 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2bpn h LYS 75 N -1.28 1.19 -6.05 -0.78 1.63 -1.97 -3.44 116.57 105.87 2bpn h LYS 75 Ca -0.44 -0.18 -0.53 0.00 -0.85 0.00 0.00 60.65 58.65 2bpn h LYS 75 Cb 1.34 -0.21 -0.06 0.00 -0.60 0.00 0.00 32.23 32.70 2bpn h LYS 75 CO 0.27 0.93 -0.44 -0.06 -3.45 0.00 0.00 179.45 176.69 2bpn s PHE 76 N -5.64 2.68 0.71 1.91 0.08 -1.26 -5.12 117.98 111.34 2bpn s PHE 76 Ca -0.12 -0.51 -0.12 0.00 0.12 0.00 0.00 56.93 56.30 2bpn s PHE 76 Cb 0.16 -2.02 0.02 0.00 -0.57 0.00 0.00 43.02 40.62 2bpn s PHE 76 CO 0.83 0.06 1.08 0.15 -0.10 0.00 0.00 175.22 177.25 2bpn s LYS 77 N -4.01 2.64 0.22 0.44 1.02 -1.26 -4.85 119.74 113.94 2bpn s LYS 77 Ca 0.44 1.17 0.00 0.00 0.02 0.00 0.00 55.97 57.60 2bpn s LYS 77 Cb -0.00 -1.94 0.00 0.00 -0.52 0.00 0.00 37.83 35.36 2bpn s LYS 77 CO 0.25 -1.34 0.02 -1.13 -0.92 0.00 0.00 175.35 172.23 2bpn n SER 78 N -3.04 2.50 0.10 2.83 3.41 -1.26 -4.87 113.62 113.29 2bpn n SER 78 Ca 0.09 -1.92 -0.23 0.00 -0.26 0.00 0.00 58.87 56.55 2bpn n SER 78 Cb 0.53 0.13 -0.15 0.00 -0.26 0.00 0.00 64.21 64.46 2bpn n SER 78 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bpn h VAL 80 N 0.03 1.44 0.00 0.00 2.07 -1.70 -3.19 116.25 114.90 2bpn h VAL 80 Ca -0.20 -2.89 0.00 0.00 0.82 0.00 0.00 66.70 64.43 2bpn h VAL 80 Cb 1.93 2.88 0.00 0.00 -1.52 0.00 0.00 31.29 34.58 2bpn h VAL 80 CO 0.23 0.85 0.00 0.61 0.02 0.00 0.00 177.57 179.28 2bpn n GLY 81 N 1.48 -2.78 0.28 2.17 0.00 -1.18 0.20 105.19 105.35 2bpn n GLY 81 Ca -0.10 0.28 0.03 0.00 0.00 0.00 0.00 46.02 46.23 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 0.01 0.48 -0.11 0.00 3.86 -1.38 0.14 115.15 118.15 2bpn h HIS 83 Ca 0.38 0.01 -0.14 0.00 -1.16 0.00 0.00 60.37 59.46 2bpn h HIS 83 Cb 0.60 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.90 2bpn h HIS 83 CO -0.58 0.26 -0.53 0.28 0.86 0.00 0.00 177.93 178.22 2bpn h VAL 84 N 0.48 1.35 -0.00 2.45 2.07 1.36 2.10 116.25 126.04 2bpn h VAL 84 Ca 0.24 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.96 2bpn h VAL 84 Cb 0.33 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 2bpn h VAL 84 CO -0.07 0.54 -0.09 -0.62 0.02 0.00 0.00 177.57 177.35 2bpn n GLU 85 N -3.94 0.83 -0.00 1.57 -0.58 0.52 -4.20 120.64 114.84 2bpn n GLU 85 Ca -0.02 -0.30 -0.04 0.00 -0.42 0.00 0.00 57.16 56.38 2bpn n GLU 85 Cb 0.57 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 29.93 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 -0.83 1.23 -0.71 2.62 0.31 0.19 -4.74 118.33 116.40 2bpn n VAL 86 Ca 0.16 0.27 -0.22 0.00 -0.01 0.00 0.00 64.34 64.53 2bpn n VAL 86 Cb 0.27 -1.82 -0.02 0.00 -0.91 0.00 0.00 33.84 31.36 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 -3.77 4.22 -1.68 3.52 0.00 0.70 -3.81 120.51 119.69 2bpn n ALA 87 Ca -0.06 -1.95 0.04 0.00 0.00 0.00 0.00 53.44 51.47 2bpn n ALA 87 Cb 0.23 -3.02 0.06 0.00 0.00 0.00 0.00 19.45 16.72 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 3.87 2.34 0.02 0.00 0.00 -1.26 -4.44 105.19 105.71 2bpn n GLY 88 Ca 0.41 -0.53 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.54 1.94 -2.43 4.61 0.00 -1.25 -5.04 120.51 117.80 2bpn n ALA 89 Ca 0.07 -0.32 -0.22 0.00 0.00 0.00 0.00 53.44 52.98 2bpn n ALA 89 Cb 0.71 0.06 -0.10 0.00 0.00 0.00 0.00 19.45 20.12 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 -3.47 3.02 -0.01 0.00 2.15 -1.26 -5.09 116.67 112.01 2bpn s ASP 90 Ca -0.03 -1.10 -0.01 0.00 0.43 0.00 0.00 52.55 51.85 2bpn s ASP 90 Cb 0.02 -0.21 -0.00 0.00 -0.30 0.00 0.00 42.92 42.43 2bpn s ASP 90 CO 0.23 -0.18 -0.01 0.00 -0.17 0.00 0.00 175.17 175.04 2bpn h ALA 91 N 2.33 0.00 -0.85 3.66 0.00 -1.96 -3.22 119.26 119.22 2bpn h ALA 91 Ca -0.40 -0.18 0.21 0.00 0.00 0.00 0.00 54.91 54.54 2bpn h ALA 91 Cb 1.24 0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.91 2bpn h ALA 91 CO 0.64 0.03 0.01 0.00 0.00 0.00 0.00 179.25 179.94 2bpn h ALA 92 N -1.91 0.92 -0.83 0.00 0.00 -1.98 2.05 119.26 117.52 2bpn h ALA 92 Ca 0.00 0.28 0.16 0.00 0.00 0.00 0.00 54.91 55.35 2bpn h ALA 92 Cb 0.03 0.48 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 2bpn h ALA 92 CO 0.00 -0.46 0.55 -0.22 0.00 0.00 0.00 179.25 179.11 2bpn h LYS 93 N 0.08 0.46 0.00 0.00 1.63 -1.96 1.77 116.57 118.55 2bpn h LYS 93 Ca 0.48 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.25 2bpn h LYS 93 Cb 0.89 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.42 2bpn h LYS 93 CO -0.76 0.30 0.00 0.36 -3.45 0.00 0.00 179.45 175.90 2bpn n LYS 94 N -4.51 0.58 -0.02 1.90 -0.00 0.69 -0.68 118.16 116.12 2bpn n LYS 94 Ca 0.16 0.02 0.01 0.00 -0.00 0.00 0.00 58.31 58.51 2bpn n LYS 94 Cb 0.57 -1.50 0.02 0.00 -0.00 0.00 0.00 35.03 34.12 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 -1.07 0.71 -0.01 -1.58 3.00 0.59 -3.46 118.16 116.34 2bpn n LYS 95 Ca 0.15 -1.03 -0.01 0.00 -0.00 0.00 0.00 58.31 57.42 2bpn n LYS 95 Cb 0.10 -1.06 -0.02 0.00 0.00 0.00 0.00 35.03 34.05 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 0.02 4.43 -0.10 3.14 8.00 -0.53 -3.68 116.55 127.83 2bpn n ASP 96 Ca 0.02 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.29 2bpn n ASP 96 Cb 0.15 0.67 -0.12 0.00 -0.02 0.00 0.00 41.12 41.80 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 -1.99 2.45 -0.68 0.64 4.77 0.14 -1.68 117.00 120.66 2bpn n LEU 97 Ca -0.03 0.15 0.08 0.00 -0.03 0.00 0.00 56.01 56.17 2bpn n LEU 97 Cb 0.47 -0.93 0.10 0.00 -2.33 0.00 0.00 43.42 40.73 2bpn n LEU 97 CO 0.05 0.72 0.54 0.35 -1.33 0.00 0.00 177.39 177.72 2bpn n THR 98 N -3.76 0.28 -1.82 -5.08 -2.24 -1.25 -4.88 114.28 95.53 2bpn n THR 98 Ca -0.44 -0.64 -0.33 0.00 -2.27 0.00 0.00 64.05 60.36 2bpn n THR 98 Cb 0.93 1.08 0.04 0.00 -2.10 0.00 0.00 70.33 70.28 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 -1.19 2.26 -0.20 3.38 0.00 -1.22 -4.89 107.32 105.46 2bpn s GLY 99 Ca 0.22 0.62 -0.17 0.00 0.00 0.00 0.00 44.72 45.39 2bpn s GLY 99 CO 0.20 0.98 0.16 0.00 0.00 0.00 0.00 173.10 174.44 2bpn s LYS 101 N -2.43 2.76 0.00 0.00 0.00 -1.26 -4.31 119.74 114.50 2bpn s LYS 101 Ca -0.29 -0.62 0.00 0.00 0.00 0.00 0.00 55.97 55.06 2bpn s LYS 101 Cb 0.07 -2.65 0.00 0.00 0.00 0.00 0.00 37.83 35.25 2bpn s LYS 101 CO 0.62 0.62 0.00 1.63 0.00 0.00 0.00 175.35 178.22 2bpn n LYS 102 N 1.42 -0.73 -2.75 1.78 5.02 -1.15 -4.89 118.16 116.85 2bpn n LYS 102 Ca -0.15 0.18 -0.33 0.00 -2.02 0.00 0.00 58.31 56.00 2bpn n LYS 102 Cb 0.53 -3.85 -0.06 0.00 -0.02 0.00 0.00 35.03 31.63 2bpn n LYS 102 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2bpn s SER 103 N -2.13 6.88 0.23 4.39 0.15 -1.12 -4.79 113.70 117.32 2bpn s SER 103 Ca 0.00 1.67 -0.07 0.00 0.70 0.00 0.00 55.95 58.25 2bpn s SER 103 Cb 0.00 -2.53 0.34 0.00 -1.71 0.00 0.00 66.02 62.11 2bpn s SER 103 CO 0.00 -0.40 1.78 0.11 1.20 0.00 0.00 173.24 175.93 2bpn h LYS 104 N 1.74 0.60 0.63 5.44 6.56 -1.65 1.55 116.57 131.44 2bpn h LYS 104 Ca -0.49 -0.04 -0.03 0.00 -1.06 0.00 0.00 60.65 59.04 2bpn h LYS 104 Cb 1.18 -0.13 0.01 0.00 -0.57 0.00 0.00 32.23 32.71 2bpn h LYS 104 CO 0.61 0.39 -0.30 0.00 -2.06 0.00 0.00 179.45 178.09 2bpn n HIS 106 N -5.34 2.76 1.37 0.00 8.25 -0.98 -4.70 115.22 116.57 2bpn n HIS 106 Ca -0.11 -2.67 0.13 0.00 -0.26 0.00 0.00 57.72 54.82 2bpn n HIS 106 Cb 0.34 -1.16 0.42 0.00 1.12 0.00 0.00 29.99 30.71 2bpn n HIS 106 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07