#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 0.20 -1.79 0.00 -0.02 -1.26 -4.71 135.00 127.43 2bpn n PRO 2 Ca 0.00 -0.41 -0.33 0.00 -2.02 0.00 0.00 63.50 60.74 2bpn n PRO 2 Cb 0.00 -2.14 0.05 0.00 -0.02 0.00 0.00 33.50 31.38 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 6.76 2.98 -3.06 -0.52 5.02 -1.26 -4.96 118.16 123.12 2bpn n LYS 3 Ca 0.53 -3.69 0.00 0.00 -2.02 0.00 0.00 58.31 53.13 2bpn n LYS 3 Cb 0.29 -2.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.03 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 -0.71 -1.94 -1.00 7.82 0.00 -1.26 -4.79 120.51 118.63 2bpn n ALA 4 Ca 0.54 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.61 2bpn n ALA 4 Cb 0.59 -0.48 0.04 0.00 0.00 0.00 0.00 19.45 19.61 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 1.27 -0.01 -1.61 0.00 -0.02 -1.26 -4.76 135.00 128.61 2bpn n PRO 5 Ca 0.00 -0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.07 2bpn n PRO 5 Cb 0.47 -1.01 0.02 0.00 -0.02 0.00 0.00 33.50 32.96 2bpn n PRO 5 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bpn n ALA 6 N -2.73 0.15 -1.13 3.55 0.00 -1.26 -4.81 120.51 114.28 2bpn n ALA 6 Ca -0.02 0.19 -0.36 0.00 0.00 0.00 0.00 53.44 53.25 2bpn n ALA 6 Cb 0.60 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.98 2bpn n ALA 6 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2bpn n ASP 7 N 0.35 -2.83 0.00 0.00 9.92 -1.26 -4.76 116.55 117.97 2bpn n ASP 7 Ca 0.10 0.67 0.00 0.00 -0.53 0.00 0.00 54.79 55.02 2bpn n ASP 7 Cb 0.40 -0.77 0.00 0.00 -0.64 0.00 0.00 41.12 40.11 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 2.13 0.00 3.00 0.44 0.00 -1.26 -5.09 105.19 104.41 2bpn n GLY 8 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 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 1.54 0.02 0.99 0.05 -1.26 -5.12 118.68 114.90 2bpn s LEU 9 Ca 0.00 -0.38 0.04 0.00 0.05 0.00 0.00 54.13 53.83 2bpn s LEU 9 Cb 0.00 -0.99 -0.02 0.00 -2.05 0.00 0.00 46.19 43.13 2bpn s LEU 9 CO 0.00 -0.04 -0.12 -1.59 -0.55 0.00 0.00 176.35 174.06 2bpn s LYS 10 N 1.26 0.82 -0.28 1.48 0.00 -1.26 -2.12 119.74 119.63 2bpn s LYS 10 Ca -0.02 -0.60 -0.03 0.00 0.00 0.00 0.00 55.97 55.32 2bpn s LYS 10 Cb -0.14 -0.78 0.03 0.00 0.00 0.00 0.00 37.83 36.94 2bpn s LYS 10 CO -0.05 0.20 0.00 -1.64 0.00 0.00 0.00 175.35 173.86 2bpn s MET 11 N -0.85 2.69 -0.35 1.78 -1.94 -0.37 -4.95 119.30 115.30 2bpn s MET 11 Ca 0.01 -1.09 0.14 0.00 -1.71 0.00 0.00 55.69 53.04 2bpn s MET 11 Cb -0.07 -3.17 0.40 0.00 2.01 0.00 0.00 34.83 34.01 2bpn s MET 11 CO 0.01 -0.52 0.90 -0.85 -0.01 0.00 0.00 175.02 174.54 2bpn n GLU 12 N 4.69 1.07 0.10 2.03 0.28 -1.26 0.76 120.64 128.31 2bpn n GLU 12 Ca -0.14 -3.14 -0.14 0.00 -0.16 0.00 0.00 57.16 53.57 2bpn n GLU 12 Cb 0.45 -1.34 -0.13 0.00 1.43 0.00 0.00 31.44 31.86 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 2.93 0.16 -3.00 -1.84 0.00 -1.93 -3.46 119.26 112.12 2bpn h ALA 13 Ca -0.03 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.01 2bpn h ALA 13 Cb 1.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2bpn h ALA 13 CO 0.44 0.99 0.00 0.25 0.00 0.00 0.00 179.25 180.94 2bpn n THR 14 N -3.53 0.00 -0.35 0.00 -2.24 -1.26 -4.95 114.28 101.95 2bpn n THR 14 Ca -0.07 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.57 2bpn n THR 14 Cb 0.99 -1.07 0.09 0.00 -2.10 0.00 0.00 70.33 68.24 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 1.73 -3.20 -0.78 5.02 -1.26 -4.63 118.16 115.03 2bpn n LYS 15 Ca 0.00 -1.67 -0.00 0.00 -2.02 0.00 0.00 58.31 54.62 2bpn n LYS 15 Cb 0.00 -1.65 -0.02 0.00 -0.02 0.00 0.00 35.03 33.33 2bpn n LYS 15 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2bpn s GLN 16 N -1.85 0.51 -0.05 1.97 0.00 -1.26 -5.14 119.66 113.84 2bpn s GLN 16 Ca 0.32 0.57 -0.29 0.00 -0.00 0.00 0.00 55.36 55.96 2bpn s GLN 16 Cb 0.26 0.13 -0.02 0.00 0.00 0.00 0.00 33.01 33.38 2bpn s GLN 16 CO 0.05 -0.90 0.95 -1.25 0.00 0.00 0.00 175.29 174.14 2bpn s PRO 17 N 2.75 4.49 -0.16 9.60 0.04 -1.26 -4.55 135.00 145.91 2bpn s PRO 17 Ca 0.13 1.33 -0.03 0.00 0.04 0.00 0.00 61.00 62.47 2bpn s PRO 17 Cb -0.12 -3.49 0.05 0.00 0.04 0.00 0.00 34.50 30.98 2bpn s PRO 17 CO -0.25 -0.14 0.04 0.08 0.04 0.00 0.00 177.00 176.78 2bpn s VAL 18 N 1.36 0.33 0.28 -0.36 1.01 0.23 -4.82 120.40 118.43 2bpn s VAL 18 Ca 0.49 -0.30 -0.22 0.00 0.00 0.00 0.00 61.98 61.95 2bpn s VAL 18 Cb -0.20 -0.80 -0.09 0.00 0.00 0.00 0.00 36.38 35.30 2bpn s VAL 18 CO 0.23 -0.12 0.83 0.54 0.00 0.00 0.00 175.10 176.58 2bpn s VAL 19 N 1.96 4.42 -0.15 2.92 0.11 -1.26 -1.24 120.40 127.15 2bpn s VAL 19 Ca 0.01 1.50 -0.04 0.00 -2.93 0.00 0.00 61.98 60.52 2bpn s VAL 19 Cb -0.16 -3.89 0.07 0.00 -1.53 0.00 0.00 36.38 30.88 2bpn s VAL 19 CO -0.07 0.12 0.22 0.12 -3.33 0.00 0.00 175.10 172.16 2bpn s PHE 20 N -1.64 -0.31 0.11 1.54 2.19 -0.90 -4.93 117.98 114.04 2bpn s PHE 20 Ca 0.48 0.57 -0.16 0.00 0.33 0.00 0.00 56.93 58.16 2bpn s PHE 20 Cb -0.16 -0.22 -0.07 0.00 -1.31 0.00 0.00 43.02 41.25 2bpn s PHE 20 CO 0.21 -0.44 0.54 -0.80 1.83 0.00 0.00 175.22 176.56 2bpn s ASN 21 N 2.35 6.89 0.36 6.13 -0.87 -1.26 -4.42 114.94 124.12 2bpn s ASN 21 Ca 0.04 1.11 0.19 0.00 -1.57 0.00 0.00 52.86 52.64 2bpn s ASN 21 Cb -0.14 -2.30 0.54 0.00 -0.02 0.00 0.00 41.25 39.33 2bpn s ASN 21 CO -0.09 0.17 1.66 0.45 -2.57 0.00 0.00 177.10 176.72 2bpn h HIS 22 N 3.92 0.00 0.00 2.20 3.86 -1.93 -2.83 115.15 120.38 2bpn h HIS 22 Ca -0.49 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.71 2bpn h HIS 22 Cb 1.20 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.67 2bpn h HIS 22 CO 0.66 0.36 -0.05 0.66 0.86 0.00 0.00 177.93 180.43 2bpn h SER 23 N 0.00 0.00 -0.01 2.45 4.64 -1.96 0.11 113.55 118.78 2bpn h SER 23 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2bpn h SER 23 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2bpn h SER 23 CO 0.05 0.05 -0.04 0.35 -0.87 0.00 0.00 176.83 176.36 2bpn n THR 24 N -3.18 0.00 -2.69 2.95 -2.24 -1.07 -4.26 114.28 103.79 2bpn n THR 24 Ca 0.00 -0.38 -0.07 0.00 -2.27 0.00 0.00 64.05 61.33 2bpn n THR 24 Cb 0.31 1.09 0.06 0.00 -2.10 0.00 0.00 70.33 69.69 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 0.76 -0.09 0.72 4.78 8.25 -0.56 -4.87 115.22 124.21 2bpn n HIS 25 Ca 0.15 -2.39 0.09 0.00 -0.26 0.00 0.00 57.72 55.31 2bpn n HIS 25 Cb 0.50 0.34 -0.12 0.00 1.12 0.00 0.00 29.99 31.82 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 -0.38 0.59 -0.47 -0.41 2.85 -0.08 -4.15 118.16 116.11 2bpn n LYS 26 Ca 0.04 -0.04 0.02 0.00 -1.05 0.00 0.00 58.31 57.28 2bpn n LYS 26 Cb 0.83 -1.43 0.20 0.00 -0.65 0.00 0.00 35.03 33.98 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 -1.61 3.41 -4.07 -5.58 7.64 -1.26 -4.82 113.62 107.33 2bpn n SER 27 Ca 0.02 -2.50 -0.19 0.00 1.01 0.00 0.00 58.87 57.20 2bpn n SER 27 Cb 0.35 -0.60 -0.14 0.00 -1.01 0.00 0.00 64.21 62.80 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 -1.88 0.87 0.36 0.44 1.01 -1.26 -5.12 120.40 114.82 2bpn s VAL 28 Ca 0.28 -0.60 -0.28 0.00 0.00 0.00 0.00 61.98 61.38 2bpn s VAL 28 Cb 0.21 -0.75 -0.11 0.00 0.00 0.00 0.00 36.38 35.73 2bpn s VAL 28 CO 0.08 0.15 1.48 -0.75 0.00 0.00 0.00 175.10 176.06 2bpn s LYS 29 N -0.51 4.14 0.58 2.72 2.20 -1.26 -4.85 119.74 122.76 2bpn s LYS 29 Ca 0.03 2.53 0.27 0.00 -0.36 0.00 0.00 55.97 58.43 2bpn s LYS 29 Cb -0.05 -2.99 1.66 0.00 -1.51 0.00 0.00 37.83 34.94 2bpn s LYS 29 CO -0.00 -0.50 2.18 0.00 -0.36 0.00 0.00 175.35 176.67 2bpn n GLY 31 N -1.40 -0.80 0.09 0.00 0.00 -1.26 0.16 105.19 101.98 2bpn n GLY 31 Ca -0.01 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 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 0.17 0.00 1.61 1.82 -0.30 -3.36 116.42 116.36 2bpn h ASP 32 Ca 0.00 -0.22 -0.22 0.00 -0.39 0.00 0.00 57.03 56.19 2bpn h ASP 32 Cb 0.11 -0.05 -0.04 0.00 0.68 0.00 0.00 39.33 40.03 2bpn h ASP 32 CO 0.00 1.18 -1.78 0.00 -1.61 0.00 0.00 179.24 177.03 2bpn n HIS 34 N -3.35 4.20 -1.53 0.00 8.25 0.41 -5.02 115.22 118.18 2bpn n HIS 34 Ca -0.26 -3.28 -0.31 0.00 -0.26 0.00 0.00 57.72 53.61 2bpn n HIS 34 Cb 0.72 -1.85 0.06 0.00 1.12 0.00 0.00 29.99 30.04 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 -0.23 2.82 0.11 4.41 -3.43 -1.26 -4.07 115.29 113.65 2bpn s HIS 35 Ca 0.37 1.50 -0.31 0.00 -0.80 0.00 0.00 55.06 55.82 2bpn s HIS 35 Cb -0.01 -3.00 -0.09 0.00 -1.43 0.00 0.00 32.58 28.05 2bpn s HIS 35 CO -0.00 -1.50 1.53 -2.14 -2.00 0.00 0.00 174.74 170.63 2bpn s PRO 36 N -4.74 4.24 -0.17 -0.38 0.02 -1.26 -2.91 135.00 129.79 2bpn s PRO 36 Ca 0.61 2.24 -0.00 0.00 0.02 0.00 0.00 61.00 63.87 2bpn s PRO 36 Cb -0.16 -3.34 0.04 0.00 0.02 0.00 0.00 34.50 31.06 2bpn s PRO 36 CO 0.51 -0.60 -0.05 0.08 -0.33 0.00 0.00 177.00 176.62 2bpn s VAL 37 N 1.66 1.13 -0.88 3.83 1.01 -1.18 -4.72 120.40 121.26 2bpn s VAL 37 Ca 0.69 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.96 2bpn s VAL 37 Cb -0.40 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 34.66 2bpn s VAL 37 CO 0.31 0.09 0.37 -3.20 0.00 0.00 0.00 175.10 172.67 2bpn n ASN 38 N 4.86 -4.18 -3.34 3.32 4.05 -1.26 -3.24 115.26 115.47 2bpn n ASN 38 Ca -0.12 -0.17 -0.16 0.00 0.45 0.00 0.00 54.58 54.58 2bpn n ASN 38 Cb 0.47 -3.04 0.08 0.00 1.23 0.00 0.00 39.78 38.52 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 -1.20 -0.78 0.00 8.20 0.00 -1.26 -4.99 105.19 105.16 2bpn n GLY 39 Ca -0.06 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 -3.67 0.00 -0.92 1.61 4.81 -1.20 -5.12 118.16 113.67 2bpn n LYS 40 Ca -0.18 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 56.90 2bpn n LYS 40 Cb 0.64 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.64 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 -4.57 1.64 1.02 -1.26 -3.07 120.64 114.40 2bpn n GLU 41 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 2bpn n GLU 41 Cb 0.00 -0.86 -0.12 0.00 -0.02 0.00 0.00 31.44 30.44 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 0.64 4.58 -0.10 1.62 -1.08 -1.15 -4.81 116.67 116.38 2bpn s ASP 42 Ca 0.55 -0.13 0.13 0.00 -0.52 0.00 0.00 52.55 52.59 2bpn s ASP 42 Cb -0.78 -1.51 0.24 0.00 -1.46 0.00 0.00 42.92 39.41 2bpn s ASP 42 CO 0.38 0.24 1.12 -1.22 0.52 0.00 0.00 175.17 176.22 2bpn n TYR 43 N 3.03 0.00 -2.50 -5.34 4.02 -1.26 -4.35 117.16 110.76 2bpn n TYR 43 Ca -0.18 -0.76 -0.23 0.00 -0.01 0.00 0.00 57.90 56.72 2bpn n TYR 43 Cb 0.53 -0.14 0.06 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 -1.90 2.27 -0.37 -0.72 0.52 -1.26 -4.95 118.95 112.54 2bpn s ARG 44 Ca 0.24 -0.69 -0.45 0.00 -0.52 0.00 0.00 55.73 54.32 2bpn s ARG 44 Cb 0.23 -2.36 -0.20 0.00 0.52 0.00 0.00 34.95 33.13 2bpn s ARG 44 CO -0.01 -1.01 1.47 1.63 0.02 0.00 0.00 175.30 177.41 2bpn n LYS 45 N -2.61 0.04 -0.33 3.54 5.02 -1.26 -4.71 118.16 117.86 2bpn n LYS 45 Ca 0.09 0.01 0.27 0.00 -2.02 0.00 0.00 58.31 56.66 2bpn n LYS 45 Cb 0.60 -1.52 0.51 0.00 -0.02 0.00 0.00 35.03 34.60 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 -1.29 1.47 1.47 0.00 0.00 -1.26 -3.93 105.19 101.66 2bpn n GLY 47 Ca 0.34 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.36 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 -2.24 -2.14 2.61 -1.04 -1.23 -3.42 114.28 106.82 2bpn n THR 48 Ca 0.00 1.14 -0.43 0.00 -2.04 0.00 0.00 64.05 62.72 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 -5.11 3.61 0.00 2.41 0.00 -1.26 -2.48 121.76 118.94 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 -3.72 0.00 0.00 0.00 0.00 0.00 23.12 19.40 2bpn s ALA 49 CO 0.00 -1.37 0.00 0.41 0.00 0.00 0.00 175.76 174.80 2bpn n GLY 50 N 4.01 1.20 0.00 0.00 0.00 -1.26 -5.07 105.19 104.08 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 2.66 1.20 -0.32 0.00 3.76 -1.22 -4.56 115.29 116.81 2bpn s HIS 52 Ca 0.00 1.97 0.16 0.00 -0.15 0.00 0.00 55.06 57.04 2bpn s HIS 52 Cb 0.00 -3.45 -0.21 0.00 1.11 0.00 0.00 32.58 30.03 2bpn s HIS 52 CO 0.00 -1.39 0.47 -0.40 -0.85 0.00 0.00 174.74 172.57 2bpn n ASP 53 N 18.61 1.11 -4.68 1.40 5.68 -1.21 -4.13 116.55 133.34 2bpn n ASP 53 Ca 0.45 -0.36 -0.42 0.00 -0.50 0.00 0.00 54.79 53.96 2bpn n ASP 53 Cb 0.44 1.42 -0.03 0.00 -1.14 0.00 0.00 41.12 41.81 2bpn n ASP 53 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 2bpn s SER 54 N -3.23 6.50 -0.38 -1.12 0.15 -1.15 -4.89 113.70 109.57 2bpn s SER 54 Ca -0.01 2.61 0.10 0.00 0.70 0.00 0.00 55.95 59.36 2bpn s SER 54 Cb 0.11 -2.55 0.32 0.00 -1.71 0.00 0.00 66.02 62.19 2bpn s SER 54 CO 0.64 -0.99 0.71 0.23 1.20 0.00 0.00 173.24 175.04 2bpn n MET 55 N 6.50 0.91 -0.81 5.44 2.81 -1.26 -0.83 117.12 129.88 2bpn n MET 55 Ca 0.18 -3.19 0.00 0.00 -1.81 0.00 0.00 57.70 52.88 2bpn n MET 55 Cb 0.40 -1.53 0.00 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 0.59 0.81 -3.83 7.83 2.03 -1.26 -5.11 116.55 117.62 2bpn n ASP 56 Ca 0.22 -0.40 -0.29 0.00 0.52 0.00 0.00 54.79 54.83 2bpn n ASP 56 Cb 0.63 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.90 2bpn n ASP 56 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2bpn s LYS 57 N -0.21 1.74 0.00 -0.67 3.01 -1.26 -4.82 119.74 117.53 2bpn s LYS 57 Ca 0.00 -2.47 0.00 0.00 -1.01 0.00 0.00 55.97 52.49 2bpn s LYS 57 Cb 0.00 -2.88 0.00 0.00 -1.01 0.00 0.00 37.83 33.94 2bpn s LYS 57 CO 0.00 -1.17 0.00 1.63 0.51 0.00 0.00 175.35 176.32 2bpn n LYS 58 N 3.10 0.00 -1.62 1.68 4.76 -1.26 -5.12 118.16 119.71 2bpn n LYS 58 Ca 0.09 0.00 -0.52 0.00 -2.87 0.00 0.00 58.31 55.01 2bpn n LYS 58 Cb 0.34 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.47 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 1.94 -0.01 4.39 -0.08 -1.26 -4.84 116.55 116.69 2bpn n ASP 59 Ca 0.00 1.11 0.01 0.00 -1.51 0.00 0.00 54.79 54.39 2bpn n ASP 59 Cb 0.00 -1.21 0.01 0.00 2.34 0.00 0.00 41.12 42.26 2bpn n ASP 59 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2bpn n LYS 60 N 3.11 2.44 -0.50 -0.67 5.02 -1.26 -4.73 118.16 121.57 2bpn n LYS 60 Ca 0.19 -1.46 -0.28 0.00 -2.02 0.00 0.00 58.31 54.74 2bpn n LYS 60 Cb 0.19 -0.97 0.26 0.00 -0.02 0.00 0.00 35.03 34.49 2bpn n LYS 60 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2bpn s SER 61 N -1.04 0.58 0.53 4.39 0.01 -1.26 -4.68 113.70 112.23 2bpn s SER 61 Ca 0.03 1.43 0.27 0.00 1.31 0.00 0.00 55.95 58.99 2bpn s SER 61 Cb 0.02 -2.22 1.41 0.00 0.21 0.00 0.00 66.02 65.45 2bpn s SER 61 CO 0.00 -4.44 1.97 0.00 0.41 0.00 0.00 173.24 171.19 2bpn h ALA 62 N -2.78 2.58 0.00 1.44 0.00 -1.97 0.91 119.26 119.43 2bpn h ALA 62 Ca -0.62 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.23 2bpn h ALA 62 Cb 1.34 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 2bpn h ALA 62 CO 0.49 -0.75 -0.22 0.87 0.00 0.00 0.00 179.25 179.64 2bpn h LYS 63 N 0.00 0.00 -6.11 0.00 1.57 -1.91 -3.43 116.57 106.68 2bpn h LYS 63 Ca 0.29 0.00 -0.70 0.00 -1.87 0.00 0.00 60.65 58.37 2bpn h LYS 63 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.48 2bpn h LYS 63 CO -0.00 0.22 1.12 0.41 -0.57 0.00 0.00 179.45 180.63 2bpn n GLY 64 N -0.82 0.81 0.17 3.86 0.00 0.31 -2.93 105.19 106.60 2bpn n GLY 64 Ca -0.02 0.93 -0.13 0.00 0.00 0.00 0.00 46.02 46.80 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 9.34 0.64 -0.00 1.61 3.20 -1.25 -2.56 116.97 127.94 2bpn h TYR 65 Ca -0.39 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.29 2bpn h TYR 65 Cb 1.31 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 39.45 2bpn h TYR 65 CO 0.86 0.87 -0.02 0.98 -1.64 0.00 0.00 178.16 179.22 2bpn n TYR 66 N -4.41 0.00 0.93 -3.82 4.19 -1.26 -2.88 117.16 109.91 2bpn n TYR 66 Ca -0.05 0.00 0.11 0.00 3.31 0.00 0.00 57.90 61.27 2bpn n TYR 66 Cb 0.42 -0.06 -0.04 0.00 0.49 0.00 0.00 39.34 40.15 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 -0.79 0.02 -0.49 2.98 -0.00 -1.04 -3.46 115.22 112.43 2bpn n HIS 67 Ca 0.20 0.01 0.08 0.00 0.46 0.00 0.00 57.72 58.47 2bpn n HIS 67 Cb 0.20 -0.10 0.26 0.00 -0.12 0.00 0.00 29.99 30.23 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 -1.57 1.49 -2.13 3.57 0.24 -0.99 -3.99 118.33 114.96 2bpn n VAL 68 Ca 0.04 -1.22 -0.00 0.00 -2.04 0.00 0.00 64.34 61.11 2bpn n VAL 68 Cb 0.35 0.25 -0.01 0.00 -1.47 0.00 0.00 33.84 32.96 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 0.66 0.00 0.00 7.34 -0.00 -1.25 -4.58 117.12 119.29 2bpn n MET 69 Ca 0.19 -1.02 0.00 0.00 -0.00 0.00 0.00 57.70 56.87 2bpn n MET 69 Cb 0.68 -0.07 0.00 0.00 -0.00 0.00 0.00 33.22 33.83 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 0.13 -0.01 -1.23 3.17 -0.00 -1.23 -3.81 115.22 112.25 2bpn n HIS 70 Ca -0.04 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.30 2bpn n HIS 70 Cb 0.77 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.78 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 -1.01 -3.74 -0.00 0.41 9.92 -1.26 -3.12 116.55 117.75 2bpn n ASP 71 Ca 0.00 0.59 0.02 0.00 -0.53 0.00 0.00 54.79 54.87 2bpn n ASP 71 Cb 0.00 -0.87 -0.03 0.00 -0.64 0.00 0.00 41.12 39.58 2bpn n ASP 71 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 2bpn n LYS 72 N 1.45 5.37 -1.18 -1.24 2.85 -1.26 -4.44 118.16 119.71 2bpn n LYS 72 Ca 0.07 -0.01 -0.19 0.00 -1.05 0.00 0.00 58.31 57.12 2bpn n LYS 72 Cb 0.49 -0.72 -0.06 0.00 -0.65 0.00 0.00 35.03 34.08 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 -1.08 6.12 -4.54 -5.58 4.13 -1.26 -4.87 115.26 108.18 2bpn n ASN 73 Ca 0.01 -2.96 -0.26 0.00 1.68 0.00 0.00 54.58 53.05 2bpn n ASN 73 Cb 0.07 -1.23 -0.10 0.00 -1.54 0.00 0.00 39.78 36.98 2bpn n ASN 73 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2bpn s THR 74 N -1.39 2.29 0.24 3.41 -4.23 -1.26 -5.03 115.64 109.66 2bpn s THR 74 Ca 0.50 -2.21 -0.06 0.00 -1.18 0.00 0.00 61.69 58.74 2bpn s THR 74 Cb 0.31 -2.62 0.21 0.00 1.34 0.00 0.00 72.50 71.74 2bpn s THR 74 CO -0.11 -0.22 1.86 0.50 -0.54 0.00 0.00 174.62 176.11 2bpn h LYS 75 N 2.03 1.23 -6.44 3.99 1.63 -1.99 -3.43 116.57 113.60 2bpn h LYS 75 Ca -0.42 -0.14 -0.63 0.00 -0.85 0.00 0.00 60.65 58.61 2bpn h LYS 75 Cb 1.25 -0.24 -0.14 0.00 -0.60 0.00 0.00 32.23 32.50 2bpn h LYS 75 CO 0.69 0.90 -0.72 -0.06 -3.45 0.00 0.00 179.45 176.81 2bpn s PHE 76 N -5.81 2.66 0.82 1.91 0.08 -1.26 -5.11 117.98 111.26 2bpn s PHE 76 Ca -0.12 -0.21 -0.12 0.00 0.12 0.00 0.00 56.93 56.60 2bpn s PHE 76 Cb 0.17 -1.30 0.09 0.00 -0.57 0.00 0.00 43.02 41.40 2bpn s PHE 76 CO 0.83 0.51 1.16 0.15 -0.10 0.00 0.00 175.22 177.76 2bpn s LYS 77 N -2.80 1.68 0.00 0.44 1.02 -1.26 -4.96 119.74 113.86 2bpn s LYS 77 Ca 0.25 1.55 0.00 0.00 0.02 0.00 0.00 55.97 57.79 2bpn s LYS 77 Cb -0.09 -1.80 0.00 0.00 -0.52 0.00 0.00 37.83 35.42 2bpn s LYS 77 CO 0.15 -2.14 0.00 0.43 -0.92 0.00 0.00 175.35 172.87 2bpn n SER 78 N -3.53 0.00 0.00 2.83 7.64 -1.26 -4.90 113.62 114.40 2bpn n SER 78 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.00 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 1.55 0.00 0.00 2.07 -1.70 -3.16 116.25 115.01 2bpn h VAL 80 Ca 0.00 -2.82 0.00 0.00 0.82 0.00 0.00 66.70 64.70 2bpn h VAL 80 Cb 0.50 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 2bpn h VAL 80 CO 0.00 0.80 0.00 0.61 0.02 0.00 0.00 177.57 179.00 2bpn n GLY 81 N 0.89 -2.61 0.30 2.17 0.00 -1.18 0.74 105.19 105.50 2bpn n GLY 81 Ca -0.00 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 0.81 -0.08 0.00 3.86 -1.47 0.70 115.15 119.00 2bpn h HIS 83 Ca 0.42 0.02 -0.17 0.00 -1.16 0.00 0.00 60.37 59.48 2bpn h HIS 83 Cb 0.68 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 2bpn h HIS 83 CO -0.58 0.36 -0.67 0.28 0.86 0.00 0.00 177.93 178.18 2bpn h VAL 84 N 0.75 1.39 -0.00 2.45 2.07 0.83 -1.71 116.25 122.02 2bpn h VAL 84 Ca 0.39 -2.08 0.00 0.00 0.82 0.00 0.00 66.70 65.83 2bpn h VAL 84 Cb 0.50 2.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 2bpn h VAL 84 CO -0.16 0.62 -0.13 -0.62 0.02 0.00 0.00 177.57 177.31 2bpn n GLU 85 N -3.85 0.25 -0.08 1.57 -0.58 0.13 -3.90 120.64 114.18 2bpn n GLU 85 Ca -0.03 -0.06 -0.09 0.00 -0.42 0.00 0.00 57.16 56.56 2bpn n GLU 85 Cb 0.67 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 30.00 2bpn n GLU 85 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2bpn h VAL 86 N 0.16 0.25 -3.61 2.62 2.07 0.65 -3.48 116.25 114.91 2bpn h VAL 86 Ca 0.00 -1.31 -0.46 0.00 0.82 0.00 0.00 66.70 65.75 2bpn h VAL 86 Cb 0.43 0.60 0.20 0.00 -1.52 0.00 0.00 31.29 31.00 2bpn h VAL 86 CO 0.00 0.09 0.09 0.00 0.02 0.00 0.00 177.57 177.77 2bpn s ALA 87 N -2.62 0.23 0.01 1.67 0.00 -0.68 -4.89 121.76 115.48 2bpn s ALA 87 Ca -0.17 0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.86 2bpn s ALA 87 Cb 0.03 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 19.85 2bpn s ALA 87 CO 0.30 -3.43 0.00 0.41 0.00 0.00 0.00 175.76 173.04 2bpn n GLY 88 N 0.45 -0.29 0.03 0.00 0.00 -1.26 -4.93 105.19 99.18 2bpn n GLY 88 Ca 0.06 0.07 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 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 -2.20 1.88 -2.49 4.61 0.00 -1.26 -4.84 120.51 116.21 2bpn n ALA 89 Ca 0.00 -0.35 -0.40 0.00 0.00 0.00 0.00 53.44 52.69 2bpn n ALA 89 Cb 0.00 0.12 -0.02 0.00 0.00 0.00 0.00 19.45 19.55 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 -3.62 6.46 0.15 0.00 -1.08 -1.26 -4.79 116.67 112.53 2bpn s ASP 90 Ca -0.03 -1.94 -0.18 0.00 -0.52 0.00 0.00 52.55 49.88 2bpn s ASP 90 Cb 0.02 -2.58 0.04 0.00 -1.46 0.00 0.00 42.92 38.94 2bpn s ASP 90 CO 0.22 -1.56 1.70 0.00 0.52 0.00 0.00 175.17 176.06 2bpn h ALA 91 N 8.73 0.25 -0.75 3.66 0.00 -1.97 -0.34 119.26 128.84 2bpn h ALA 91 Ca 0.32 0.10 0.17 0.00 0.00 0.00 0.00 54.91 55.50 2bpn h ALA 91 Cb 0.93 0.18 -0.13 0.00 0.00 0.00 0.00 17.79 18.76 2bpn h ALA 91 CO 1.41 -0.43 -0.04 0.00 0.00 0.00 0.00 179.25 180.20 2bpn h ALA 92 N 1.28 0.72 0.00 0.00 0.00 -1.97 1.81 119.26 121.10 2bpn h ALA 92 Ca 0.15 0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.27 2bpn h ALA 92 Cb 0.21 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2bpn h ALA 92 CO -0.27 -0.42 -0.21 0.87 0.00 0.00 0.00 179.25 179.21 2bpn h LYS 93 N 0.08 0.00 0.00 0.00 1.57 -1.59 0.18 116.57 116.80 2bpn h LYS 93 Ca 0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 2bpn h LYS 93 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2bpn h LYS 93 CO -0.69 0.21 0.00 0.36 -0.57 0.00 0.00 179.45 178.76 2bpn n LYS 94 N -4.10 0.66 0.00 3.15 -0.00 0.60 0.68 118.16 119.15 2bpn n LYS 94 Ca -0.02 0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 2bpn n LYS 94 Cb 0.28 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.81 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 -1.12 0.31 -0.01 -1.58 4.81 0.38 -3.92 118.16 117.04 2bpn n LYS 95 Ca 0.17 -0.36 -0.01 0.00 -0.87 0.00 0.00 58.31 57.25 2bpn n LYS 95 Cb 0.14 -0.85 -0.02 0.00 0.02 0.00 0.00 35.03 34.32 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 -0.15 4.29 -0.07 3.14 8.00 0.13 -3.57 116.55 128.33 2bpn n ASP 96 Ca 0.00 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.28 2bpn n ASP 96 Cb 0.03 0.72 -0.12 0.00 -0.02 0.00 0.00 41.12 41.73 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 2.41 -0.41 0.64 4.77 0.21 -2.22 117.00 120.43 2bpn n LEU 97 Ca -0.04 0.22 0.09 0.00 -0.03 0.00 0.00 56.01 56.25 2bpn n LEU 97 Cb 0.46 -1.00 -0.00 0.00 -2.33 0.00 0.00 43.42 40.54 2bpn n LEU 97 CO 0.06 0.68 0.27 0.35 -1.33 0.00 0.00 177.39 177.43 2bpn n THR 98 N -3.80 0.00 -1.60 -5.08 -2.24 -1.24 -4.87 114.28 95.45 2bpn n THR 98 Ca -0.38 -0.30 -0.38 0.00 -2.27 0.00 0.00 64.05 60.72 2bpn n THR 98 Cb 0.92 1.21 0.05 0.00 -2.10 0.00 0.00 70.33 70.42 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 1.25 -0.43 0.12 3.38 0.00 -1.23 -4.92 105.19 103.36 2bpn n GLY 99 Ca 0.08 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.45 2.83 0.00 0.00 0.00 -1.26 -4.38 119.74 114.48 2bpn s LYS 101 Ca -0.31 -0.62 0.00 0.00 0.00 0.00 0.00 55.97 55.04 2bpn s LYS 101 Cb 0.08 -2.54 0.00 0.00 0.00 0.00 0.00 37.83 35.37 2bpn s LYS 101 CO 0.60 0.54 0.00 1.17 0.00 0.00 0.00 175.35 177.67 2bpn n LYS 102 N 2.57 0.00 -2.37 1.78 3.00 -0.96 -4.99 118.16 117.19 2bpn n LYS 102 Ca -0.18 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 57.78 2bpn n LYS 102 Cb 0.53 -2.54 -0.02 0.00 0.00 0.00 0.00 35.03 33.00 2bpn n LYS 102 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2bpn s SER 103 N -3.02 6.09 0.29 3.14 0.15 -1.11 -4.68 113.70 114.57 2bpn s SER 103 Ca 0.00 2.11 0.04 0.00 0.70 0.00 0.00 55.95 58.81 2bpn s SER 103 Cb 0.00 -2.58 0.70 0.00 -1.71 0.00 0.00 66.02 62.43 2bpn s SER 103 CO 0.00 -0.96 1.77 0.11 1.20 0.00 0.00 173.24 175.36 2bpn h LYS 104 N 1.59 0.70 0.54 5.44 6.56 -1.78 1.51 116.57 131.13 2bpn h LYS 104 Ca -0.50 -0.04 -0.03 0.00 -1.06 0.00 0.00 60.65 59.03 2bpn h LYS 104 Cb 1.24 -0.16 0.01 0.00 -0.57 0.00 0.00 32.23 32.75 2bpn h LYS 104 CO 0.59 0.46 -0.26 0.00 -2.06 0.00 0.00 179.45 178.18 2bpn n HIS 106 N -5.13 2.75 1.11 0.00 8.25 -0.71 -4.55 115.22 116.95 2bpn n HIS 106 Ca -0.09 -2.65 0.12 0.00 -0.26 0.00 0.00 57.72 54.84 2bpn n HIS 106 Cb 0.28 -1.16 0.19 0.00 1.12 0.00 0.00 29.99 30.42 2bpn n HIS 106 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07