#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 1.27 -2.65 0.00 -0.04 -1.26 -4.96 135.00 127.37 2bpn n PRO 2 Ca 0.00 0.47 -0.12 0.00 -0.04 0.00 0.00 63.50 63.81 2bpn n PRO 2 Cb 0.00 -2.28 0.02 0.00 -0.04 0.00 0.00 33.50 31.20 2bpn n PRO 2 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2bpn n LYS 3 N -0.75 1.51 -3.08 0.54 4.76 -1.26 -5.03 118.16 114.85 2bpn n LYS 3 Ca 0.12 -3.46 -0.05 0.00 -2.87 0.00 0.00 58.31 52.05 2bpn n LYS 3 Cb 0.45 -1.42 0.00 0.00 -1.84 0.00 0.00 35.03 32.22 2bpn n LYS 3 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2bpn n ALA 4 N -0.12 -1.98 -0.99 7.82 0.00 -1.26 -4.79 120.51 119.19 2bpn n ALA 4 Ca 0.14 0.04 -0.37 0.00 0.00 0.00 0.00 53.44 53.26 2bpn n ALA 4 Cb 0.79 -0.67 0.04 0.00 0.00 0.00 0.00 19.45 19.60 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 1.07 -0.01 -1.69 0.00 -0.02 -1.26 -4.76 135.00 128.33 2bpn n PRO 5 Ca -0.01 -0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.05 2bpn n PRO 5 Cb 0.49 -1.02 0.00 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 -2.76 1.15 -1.08 3.55 0.00 -1.26 -4.83 120.51 115.27 2bpn n ALA 6 Ca -0.02 0.31 -0.34 0.00 0.00 0.00 0.00 53.44 53.39 2bpn n ALA 6 Cb 0.60 -2.24 0.01 0.00 0.00 0.00 0.00 19.45 17.83 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 0.53 -3.18 0.00 0.00 8.00 -1.26 -4.74 116.55 115.90 2bpn n ASP 7 Ca 0.06 0.57 0.00 0.00 0.71 0.00 0.00 54.79 56.13 2bpn n ASP 7 Cb 0.38 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 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 2.17 0.09 3.04 0.44 0.00 -1.26 -5.08 105.19 104.60 2bpn n GLY 8 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 1.73 0.06 0.99 2.96 -1.26 -5.11 118.68 118.04 2bpn s LEU 9 Ca 0.00 -0.47 0.06 0.00 -0.22 0.00 0.00 54.13 53.49 2bpn s LEU 9 Cb 0.00 -1.16 -0.03 0.00 0.50 0.00 0.00 46.19 45.50 2bpn s LEU 9 CO 0.00 -0.02 -0.16 -1.59 -1.32 0.00 0.00 176.35 173.26 2bpn s LYS 10 N 1.26 0.94 -0.25 1.98 0.00 -1.26 -1.97 119.74 120.43 2bpn s LYS 10 Ca -0.00 -0.92 0.00 0.00 0.00 0.00 0.00 55.97 55.05 2bpn s LYS 10 Cb -0.14 -1.00 0.04 0.00 0.00 0.00 0.00 37.83 36.73 2bpn s LYS 10 CO -0.07 0.24 -0.09 -1.64 0.00 0.00 0.00 175.35 173.79 2bpn s MET 11 N -1.53 2.54 -0.35 1.78 -1.94 -0.26 -4.96 119.30 114.58 2bpn s MET 11 Ca 0.01 -1.16 0.14 0.00 -1.71 0.00 0.00 55.69 52.97 2bpn s MET 11 Cb -0.09 -2.93 0.41 0.00 2.01 0.00 0.00 34.83 34.22 2bpn s MET 11 CO 0.02 -0.49 0.94 -0.85 -0.01 0.00 0.00 175.02 174.63 2bpn n GLU 12 N 4.56 1.09 0.18 2.03 0.28 -1.26 0.76 120.64 128.27 2bpn n GLU 12 Ca -0.15 -3.05 0.12 0.00 -0.16 0.00 0.00 57.16 53.91 2bpn n GLU 12 Cb 0.45 -1.25 0.15 0.00 1.43 0.00 0.00 31.44 32.22 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 2.89 0.88 -3.00 -1.84 0.00 -1.94 -3.46 119.26 112.80 2bpn h ALA 13 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2bpn h ALA 13 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2bpn h ALA 13 CO 0.42 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.92 2bpn n THR 14 N -2.92 0.00 -0.07 0.00 -2.24 -1.26 -4.98 114.28 102.80 2bpn n THR 14 Ca 0.03 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.79 2bpn n THR 14 Cb 0.52 -0.55 0.18 0.00 -2.10 0.00 0.00 70.33 68.38 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 2.61 -3.34 -0.78 5.02 -1.26 -4.63 118.16 115.78 2bpn n LYS 15 Ca 0.00 -1.66 -0.10 0.00 -2.02 0.00 0.00 58.31 54.53 2bpn n LYS 15 Cb 0.00 -1.82 -0.07 0.00 -0.02 0.00 0.00 35.03 33.12 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 -1.88 0.38 -0.08 1.97 0.00 -1.26 -5.13 119.66 113.66 2bpn s GLN 16 Ca 0.30 0.24 -0.29 0.00 -0.00 0.00 0.00 55.36 55.60 2bpn s GLN 16 Cb 0.23 -0.42 -0.02 0.00 0.00 0.00 0.00 33.01 32.80 2bpn s GLN 16 CO 0.08 -0.89 0.97 -1.25 0.00 0.00 0.00 175.29 174.19 2bpn s PRO 17 N 2.52 4.46 -0.16 9.60 0.04 -1.26 -4.57 135.00 145.63 2bpn s PRO 17 Ca 0.11 1.35 -0.02 0.00 0.04 0.00 0.00 61.00 62.47 2bpn s PRO 17 Cb -0.14 -3.51 0.05 0.00 0.04 0.00 0.00 34.50 30.94 2bpn s PRO 17 CO -0.25 -0.21 0.02 0.08 0.04 0.00 0.00 177.00 176.67 2bpn s VAL 18 N 1.65 0.54 0.28 -0.36 1.01 0.23 -4.76 120.40 118.98 2bpn s VAL 18 Ca 0.48 -0.36 -0.22 0.00 0.00 0.00 0.00 61.98 61.88 2bpn s VAL 18 Cb -0.19 -0.91 -0.09 0.00 0.00 0.00 0.00 36.38 35.19 2bpn s VAL 18 CO 0.21 -0.04 0.82 0.54 0.00 0.00 0.00 175.10 176.63 2bpn s VAL 19 N 1.87 4.44 -0.13 2.92 0.11 -1.26 -1.10 120.40 127.24 2bpn s VAL 19 Ca 0.01 1.47 -0.04 0.00 -2.93 0.00 0.00 61.98 60.49 2bpn s VAL 19 Cb -0.15 -3.88 0.06 0.00 -1.53 0.00 0.00 36.38 30.88 2bpn s VAL 19 CO -0.07 0.13 0.18 0.12 -3.33 0.00 0.00 175.10 172.13 2bpn s PHE 20 N -1.62 -0.20 -0.08 1.54 2.19 -0.83 -4.94 117.98 114.04 2bpn s PHE 20 Ca 0.47 0.45 -0.17 0.00 0.33 0.00 0.00 56.93 58.01 2bpn s PHE 20 Cb -0.17 -0.31 -0.05 0.00 -1.31 0.00 0.00 43.02 41.19 2bpn s PHE 20 CO 0.21 -0.41 0.46 -0.80 1.83 0.00 0.00 175.22 176.51 2bpn s ASN 21 N 2.30 6.73 0.44 6.13 0.02 -1.26 -4.33 114.94 124.97 2bpn s ASN 21 Ca 0.04 0.87 0.18 0.00 -1.02 0.00 0.00 52.86 52.93 2bpn s ASN 21 Cb -0.14 -2.28 1.02 0.00 0.02 0.00 0.00 41.25 39.88 2bpn s ASN 21 CO -0.08 0.11 1.95 0.45 0.02 0.00 0.00 177.10 179.54 2bpn h HIS 22 N 6.06 0.00 -0.68 2.20 3.86 -1.93 -2.38 115.15 122.29 2bpn h HIS 22 Ca -0.44 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 58.69 2bpn h HIS 22 Cb 1.19 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.63 2bpn h HIS 22 CO 0.65 0.23 0.12 0.66 0.86 0.00 0.00 177.93 180.45 2bpn h SER 23 N 0.00 1.06 0.21 2.45 4.64 -1.95 0.30 113.55 120.25 2bpn h SER 23 Ca -0.00 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2bpn h SER 23 Cb 0.46 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2bpn h SER 23 CO 0.03 1.04 0.00 0.35 -0.87 0.00 0.00 176.83 177.38 2bpn n THR 24 N -4.22 0.07 -2.71 2.95 -2.24 -0.91 -3.29 114.28 103.94 2bpn n THR 24 Ca 0.05 0.02 -0.06 0.00 -2.27 0.00 0.00 64.05 61.78 2bpn n THR 24 Cb 0.28 -0.59 0.05 0.00 -2.10 0.00 0.00 70.33 67.98 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 -1.12 0.42 0.60 4.78 8.25 -0.42 -4.85 115.22 122.88 2bpn n HIS 25 Ca 0.17 -2.44 0.10 0.00 -0.26 0.00 0.00 57.72 55.29 2bpn n HIS 25 Cb 0.14 0.08 -0.13 0.00 1.12 0.00 0.00 29.99 31.20 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 -0.37 0.46 -0.65 -0.41 2.85 0.93 -4.17 118.16 116.80 2bpn n LYS 26 Ca 0.05 -0.07 -0.07 0.00 -1.05 0.00 0.00 58.31 57.17 2bpn n LYS 26 Cb 0.82 -1.46 0.16 0.00 -0.65 0.00 0.00 35.03 33.90 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 -1.74 3.58 -4.00 -5.58 2.88 -1.26 -4.83 113.62 102.67 2bpn n SER 27 Ca 0.01 -2.80 -0.17 0.00 -1.33 0.00 0.00 58.87 54.58 2bpn n SER 27 Cb 0.39 -0.67 -0.15 0.00 -0.75 0.00 0.00 64.21 63.04 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 -1.97 0.60 0.32 2.46 1.01 -1.26 -5.12 120.40 116.43 2bpn s VAL 28 Ca 0.33 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.68 2bpn s VAL 28 Cb 0.27 -0.50 -0.11 0.00 0.00 0.00 0.00 36.38 36.03 2bpn s VAL 28 CO 0.08 0.16 1.56 -0.75 0.00 0.00 0.00 175.10 176.15 2bpn s LYS 29 N -0.21 4.12 0.58 2.72 2.20 -1.26 -4.84 119.74 123.06 2bpn s LYS 29 Ca 0.03 2.58 0.28 0.00 -0.36 0.00 0.00 55.97 58.50 2bpn s LYS 29 Cb -0.03 -3.01 1.68 0.00 -1.51 0.00 0.00 37.83 34.96 2bpn s LYS 29 CO -0.00 -0.60 2.15 0.00 -0.36 0.00 0.00 175.35 176.53 2bpn n GLY 31 N -1.39 -0.78 0.12 0.00 0.00 -1.26 0.11 105.19 101.99 2bpn n GLY 31 Ca 0.00 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.72 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 0.45 0.00 1.61 3.58 -0.01 -3.36 116.42 118.68 2bpn h ASP 32 Ca 0.00 -0.63 -0.37 0.00 0.42 0.00 0.00 57.03 56.45 2bpn h ASP 32 Cb 0.08 -0.15 -0.06 0.00 1.72 0.00 0.00 39.33 40.93 2bpn h ASP 32 CO 0.00 1.53 -2.26 0.00 -2.88 0.00 0.00 179.24 175.63 2bpn n HIS 34 N -3.81 4.42 -1.64 0.00 8.25 0.30 -5.02 115.22 117.72 2bpn n HIS 34 Ca -0.43 -3.27 -0.33 0.00 -0.26 0.00 0.00 57.72 53.42 2bpn n HIS 34 Cb 0.84 -2.01 0.06 0.00 1.12 0.00 0.00 29.99 30.00 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 0.62 2.49 -0.19 4.41 -0.00 -1.26 -4.12 115.29 117.24 2bpn s HIS 35 Ca 0.40 1.57 -0.29 0.00 -0.00 0.00 0.00 55.06 56.73 2bpn s HIS 35 Cb -0.01 -3.22 -0.01 0.00 -0.00 0.00 0.00 32.58 29.34 2bpn s HIS 35 CO -0.00 -1.89 1.31 -1.25 -0.00 0.00 0.00 174.74 172.91 2bpn s PRO 36 N -4.12 4.14 0.07 -0.38 0.04 -1.26 -3.41 135.00 130.08 2bpn s PRO 36 Ca 0.68 1.60 0.07 0.00 0.04 0.00 0.00 61.00 63.39 2bpn s PRO 36 Cb -0.22 -3.81 -0.04 0.00 0.04 0.00 0.00 34.50 30.47 2bpn s PRO 36 CO 0.43 -0.83 -0.16 0.08 0.04 0.00 0.00 177.00 176.57 2bpn s VAL 37 N 3.79 2.97 -0.39 -0.36 1.01 -1.21 -4.55 120.40 121.66 2bpn s VAL 37 Ca 0.57 -1.26 0.00 0.00 0.00 0.00 0.00 61.98 61.29 2bpn s VAL 37 Cb -0.21 -2.31 0.00 0.00 0.00 0.00 0.00 36.38 33.86 2bpn s VAL 37 CO 0.18 0.24 0.00 0.59 0.00 0.00 0.00 175.10 176.11 2bpn n ASN 38 N 1.20 -1.79 -2.78 3.32 5.03 -1.26 0.17 115.26 119.15 2bpn n ASN 38 Ca -0.15 0.32 -0.11 0.00 0.87 0.00 0.00 54.58 55.50 2bpn n ASN 38 Cb 0.52 -1.70 0.05 0.00 -1.02 0.00 0.00 39.78 37.63 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 -0.47 -0.51 0.00 7.41 0.00 -1.26 -5.02 105.19 105.34 2bpn n GLY 39 Ca -0.05 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.88 0.00 -1.28 1.61 4.81 0.13 -5.12 118.16 115.43 2bpn n LYS 40 Ca -0.09 0.00 -0.50 0.00 -0.87 0.00 0.00 58.31 56.85 2bpn n LYS 40 Cb 0.60 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.57 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 -4.90 1.64 1.02 -1.26 -3.30 120.64 113.84 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 -1.15 -0.14 0.00 -0.02 0.00 0.00 31.44 30.13 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 1.51 3.93 0.00 1.62 -1.08 -1.22 -4.87 116.67 116.55 2bpn s ASP 42 Ca 0.77 -0.26 0.00 0.00 -0.52 0.00 0.00 52.55 52.54 2bpn s ASP 42 Cb -1.09 -1.03 0.00 0.00 -1.46 0.00 0.00 42.92 39.33 2bpn s ASP 42 CO 0.56 0.29 0.91 -1.22 0.52 0.00 0.00 175.17 176.23 2bpn n TYR 43 N 2.68 0.00 -1.32 -5.34 4.02 -1.26 -4.47 117.16 111.47 2bpn n TYR 43 Ca -0.17 -0.41 -0.30 0.00 -0.01 0.00 0.00 57.90 57.01 2bpn n TYR 43 Cb 0.52 -0.04 0.13 0.00 -0.02 0.00 0.00 39.34 39.93 2bpn n TYR 43 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 2bpn s ARG 44 N -0.82 1.46 0.14 -0.72 6.06 -1.26 -4.90 118.95 118.90 2bpn s ARG 44 Ca 0.00 0.74 -0.33 0.00 -2.50 0.00 0.00 55.73 53.64 2bpn s ARG 44 Cb 0.00 -1.84 -0.18 0.00 0.06 0.00 0.00 34.95 33.00 2bpn s ARG 44 CO 0.00 -2.08 0.82 1.63 -2.50 0.00 0.00 175.30 173.17 2bpn n LYS 45 N -3.76 0.24 0.24 5.12 5.02 -1.26 -4.78 118.16 118.98 2bpn n LYS 45 Ca 0.07 0.09 0.07 0.00 -2.02 0.00 0.00 58.31 56.52 2bpn n LYS 45 Cb 0.56 -1.34 0.59 0.00 -0.02 0.00 0.00 35.03 34.81 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 -1.15 5.98 3.88 0.00 0.00 -1.26 -3.64 105.19 108.99 2bpn n GLY 47 Ca -0.03 -2.71 -0.33 0.00 0.00 0.00 0.00 46.02 42.96 2bpn n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bpn s THR 48 N -5.36 5.10 -0.06 2.61 2.01 -0.94 -4.78 115.64 114.21 2bpn s THR 48 Ca 0.49 0.28 -0.38 0.00 0.31 0.00 0.00 61.69 62.39 2bpn s THR 48 Cb 0.41 -3.63 -0.16 0.00 0.01 0.00 0.00 72.50 69.13 2bpn s THR 48 CO -0.20 0.13 1.53 0.00 -0.69 0.00 0.00 174.62 175.40 2bpn n ALA 49 N 0.40 -0.49 0.00 7.40 0.00 -1.26 -1.40 120.51 125.17 2bpn n ALA 49 Ca -0.04 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2bpn n ALA 49 Cb 0.52 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.81 2bpn n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bpn n GLY 50 N 3.30 1.07 0.00 0.00 0.00 -1.26 -5.02 105.19 103.28 2bpn n GLY 50 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 2.09 1.98 -0.60 0.00 3.76 -1.24 -4.62 115.29 116.67 2bpn s HIS 52 Ca 0.00 0.28 0.16 0.00 -0.15 0.00 0.00 55.06 55.35 2bpn s HIS 52 Cb 0.00 -4.18 -0.19 0.00 1.11 0.00 0.00 32.58 29.32 2bpn s HIS 52 CO 0.00 -1.73 0.61 -0.40 -0.85 0.00 0.00 174.74 172.37 2bpn n ASP 53 N 12.92 0.86 -4.67 1.40 5.75 -1.22 -4.13 116.55 127.46 2bpn n ASP 53 Ca 0.40 -0.69 -0.42 0.00 -0.01 0.00 0.00 54.79 54.06 2bpn n ASP 53 Cb 0.48 1.16 -0.03 0.00 -1.03 0.00 0.00 41.12 41.69 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 -2.79 6.57 -0.39 -1.12 0.15 -1.15 -4.90 113.70 110.07 2bpn s SER 54 Ca 0.03 2.45 0.10 0.00 0.70 0.00 0.00 55.95 59.24 2bpn s SER 54 Cb 0.12 -2.54 0.31 0.00 -1.71 0.00 0.00 66.02 62.20 2bpn s SER 54 CO 0.66 -0.97 0.71 0.23 1.20 0.00 0.00 173.24 175.07 2bpn n MET 55 N 6.99 0.89 -1.39 5.44 2.81 -1.26 -0.93 117.12 129.68 2bpn n MET 55 Ca 0.18 -3.15 0.00 0.00 -1.81 0.00 0.00 57.70 52.92 2bpn n MET 55 Cb 0.42 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.42 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 0.66 0.17 -4.02 7.83 2.03 -1.26 -5.10 116.55 116.86 2bpn n ASP 56 Ca 0.22 -0.70 -0.33 0.00 0.52 0.00 0.00 54.79 54.50 2bpn n ASP 56 Cb 0.63 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.92 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 -1.09 2.64 0.00 -0.67 2.20 -1.26 -4.74 119.74 116.81 2bpn s LYS 57 Ca 0.00 -2.97 0.00 0.00 -0.36 0.00 0.00 55.97 52.64 2bpn s LYS 57 Cb 0.00 -3.64 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 2bpn s LYS 57 CO 0.00 -1.22 0.00 1.63 -0.36 0.00 0.00 175.35 175.40 2bpn n LYS 58 N 2.69 0.00 -1.43 4.03 4.76 -1.26 -5.10 118.16 121.85 2bpn n LYS 58 Ca 0.14 0.00 -0.63 0.00 -2.87 0.00 0.00 58.31 54.95 2bpn n LYS 58 Cb 0.36 0.00 -0.11 0.00 -1.84 0.00 0.00 35.03 33.44 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 0.94 -0.00 4.39 -0.08 -1.26 -4.75 116.55 115.79 2bpn n ASP 59 Ca 0.00 0.86 0.04 0.00 -1.51 0.00 0.00 54.79 54.19 2bpn n ASP 59 Cb 0.00 -0.90 -0.05 0.00 2.34 0.00 0.00 41.12 42.51 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 6.24 3.84 -0.91 -0.67 5.02 -1.26 -4.52 118.16 125.90 2bpn n LYS 60 Ca 0.46 -0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.38 2bpn n LYS 60 Cb -0.04 -0.94 0.07 0.00 -0.02 0.00 0.00 35.03 34.10 2bpn n LYS 60 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2bpn n SER 61 N -1.24 -3.53 0.18 4.39 7.64 -1.26 -4.37 113.62 115.43 2bpn n SER 61 Ca 0.02 0.05 0.18 0.00 1.01 0.00 0.00 58.87 60.12 2bpn n SER 61 Cb 0.15 -0.73 0.71 0.00 -1.01 0.00 0.00 64.21 63.33 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 -1.28 1.85 -0.03 -0.43 0.00 -1.97 1.38 119.26 118.79 2bpn h ALA 62 Ca -0.44 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 2bpn h ALA 62 Cb 1.36 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 2bpn h ALA 62 CO 0.26 -0.62 -0.35 0.87 0.00 0.00 0.00 179.25 179.42 2bpn h LYS 63 N 0.00 0.05 -6.07 0.00 1.57 -1.89 -3.44 116.57 106.79 2bpn h LYS 63 Ca 0.13 -0.02 -0.79 0.00 -1.87 0.00 0.00 60.65 58.10 2bpn h LYS 63 Cb 1.08 -0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.39 2bpn h LYS 63 CO -0.00 0.40 0.90 0.41 -0.57 0.00 0.00 179.45 180.59 2bpn n GLY 64 N -0.48 0.49 0.17 3.86 0.00 0.47 -2.95 105.19 106.75 2bpn n GLY 64 Ca -0.02 0.98 -0.14 0.00 0.00 0.00 0.00 46.02 46.84 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 6.92 0.69 -0.01 1.61 3.20 -1.30 -2.86 116.97 125.22 2bpn h TYR 65 Ca -0.41 -0.37 0.00 0.00 3.14 0.00 0.00 58.73 61.09 2bpn h TYR 65 Cb 1.35 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.54 2bpn h TYR 65 CO 0.76 1.19 -0.21 0.98 -1.64 0.00 0.00 178.16 179.24 2bpn n TYR 66 N -3.77 0.00 0.84 -3.82 4.19 -1.26 -3.59 117.16 109.74 2bpn n TYR 66 Ca -0.07 0.00 0.11 0.00 3.31 0.00 0.00 57.90 61.25 2bpn n TYR 66 Cb 0.83 -0.07 0.02 0.00 0.49 0.00 0.00 39.34 40.61 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 -0.29 0.07 -0.61 2.98 -0.00 -1.17 -3.71 115.22 112.49 2bpn n HIS 67 Ca 0.14 0.02 0.09 0.00 0.46 0.00 0.00 57.72 58.42 2bpn n HIS 67 Cb 0.38 -0.21 0.30 0.00 -0.12 0.00 0.00 29.99 30.34 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 -1.66 1.77 -2.47 3.57 0.24 -1.09 -3.84 118.33 114.86 2bpn n VAL 68 Ca 0.03 -1.28 -0.02 0.00 -2.04 0.00 0.00 64.34 61.03 2bpn n VAL 68 Cb 0.37 0.13 0.03 0.00 -1.47 0.00 0.00 33.84 32.90 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 0.73 0.70 0.09 7.34 -0.00 -1.25 -4.71 117.12 120.02 2bpn n MET 69 Ca 0.22 -1.83 0.00 0.00 -0.00 0.00 0.00 57.70 56.09 2bpn n MET 69 Cb 0.81 -0.09 0.00 0.00 -0.00 0.00 0.00 33.22 33.94 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 -0.38 -3.18 -1.46 3.17 -0.00 -1.24 -4.08 115.22 108.04 2bpn n HIS 70 Ca -0.10 0.60 -0.37 0.00 -0.00 0.00 0.00 57.72 57.85 2bpn n HIS 70 Cb 0.88 1.78 0.06 0.00 -0.00 0.00 0.00 29.99 32.71 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 -2.87 -0.08 -0.04 0.41 9.92 -1.25 -3.47 116.55 119.17 2bpn n ASP 71 Ca 0.00 0.71 -0.02 0.00 -0.53 0.00 0.00 54.79 54.95 2bpn n ASP 71 Cb 0.00 -1.31 -0.07 0.00 -0.64 0.00 0.00 41.12 39.09 2bpn n ASP 71 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2bpn n LYS 72 N -0.95 1.98 0.31 -1.24 0.00 -1.26 -4.26 118.16 112.74 2bpn n LYS 72 Ca 0.13 -0.03 0.17 0.00 0.00 0.00 0.00 58.31 58.58 2bpn n LYS 72 Cb 0.48 -1.24 0.99 0.00 0.00 0.00 0.00 35.03 35.27 2bpn n LYS 72 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.40 176.49 2bpn h ASN 73 N 0.00 0.00 -1.86 3.14 -0.26 -1.91 -3.44 115.58 111.24 2bpn h ASN 73 Ca -0.19 0.00 -0.53 0.00 -0.56 0.00 0.00 56.30 55.02 2bpn h ASN 73 Cb 1.30 0.00 0.24 0.00 -1.06 0.00 0.00 38.32 38.80 2bpn h ASN 73 CO 0.01 0.01 -1.96 0.35 -1.06 0.00 0.00 177.43 174.78 2bpn n THR 74 N -3.61 0.00 -0.24 2.81 -2.24 -1.26 -4.82 114.28 104.92 2bpn n THR 74 Ca -0.03 -0.32 -0.04 0.00 -2.27 0.00 0.00 64.05 61.39 2bpn n THR 74 Cb 0.09 -0.09 0.13 0.00 -2.10 0.00 0.00 70.33 68.36 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 -1.11 1.07 -5.99 -0.78 1.63 -1.97 -3.44 116.57 105.99 2bpn h LYS 75 Ca -0.43 -0.17 -0.54 0.00 -0.85 0.00 0.00 60.65 58.66 2bpn h LYS 75 Cb 1.33 -0.19 -0.06 0.00 -0.60 0.00 0.00 32.23 32.71 2bpn h LYS 75 CO 0.24 0.86 -0.45 -0.06 -3.45 0.00 0.00 179.45 176.59 2bpn s PHE 76 N -5.53 2.62 0.73 1.91 0.08 -1.26 -5.12 117.98 111.42 2bpn s PHE 76 Ca -0.11 -0.56 -0.13 0.00 0.12 0.00 0.00 56.93 56.25 2bpn s PHE 76 Cb 0.16 -2.04 0.03 0.00 -0.57 0.00 0.00 43.02 40.61 2bpn s PHE 76 CO 0.82 0.06 1.10 0.15 -0.10 0.00 0.00 175.22 177.26 2bpn s LYS 77 N -3.99 2.45 0.28 0.44 1.02 -1.26 -4.87 119.74 113.80 2bpn s LYS 77 Ca 0.43 1.29 0.00 0.00 0.02 0.00 0.00 55.97 57.72 2bpn s LYS 77 Cb 0.01 -1.91 0.00 0.00 -0.52 0.00 0.00 37.83 35.41 2bpn s LYS 77 CO 0.24 -1.51 0.03 -1.13 -0.92 0.00 0.00 175.35 172.06 2bpn n SER 78 N -3.05 2.67 0.10 2.83 3.41 -1.26 -4.92 113.62 113.40 2bpn n SER 78 Ca 0.10 -2.19 -0.22 0.00 -0.26 0.00 0.00 58.87 56.30 2bpn n SER 78 Cb 0.52 0.17 -0.15 0.00 -0.26 0.00 0.00 64.21 64.49 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 -0.12 1.52 0.00 0.00 2.07 -1.74 -3.22 116.25 114.76 2bpn h VAL 80 Ca -0.20 -3.17 0.00 0.00 0.82 0.00 0.00 66.70 64.16 2bpn h VAL 80 Cb 1.89 2.87 0.00 0.00 -1.52 0.00 0.00 31.29 34.53 2bpn h VAL 80 CO 0.21 0.90 0.00 0.61 0.02 0.00 0.00 177.57 179.31 2bpn n GLY 81 N 1.47 -2.69 0.30 2.17 0.00 -1.23 0.14 105.19 105.35 2bpn n GLY 81 Ca -0.06 0.20 0.05 0.00 0.00 0.00 0.00 46.02 46.20 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 0.04 0.81 -0.02 0.00 3.86 -1.47 1.54 115.15 119.91 2bpn h HIS 83 Ca 0.42 0.02 -0.19 0.00 -1.16 0.00 0.00 60.37 59.46 2bpn h HIS 83 Cb 0.72 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 2bpn h HIS 83 CO -0.54 0.41 -0.82 0.28 0.86 0.00 0.00 177.93 178.12 2bpn h VAL 84 N 0.79 1.45 0.00 2.45 2.07 1.07 -2.72 116.25 121.35 2bpn h VAL 84 Ca 0.34 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 65.45 2bpn h VAL 84 Cb 0.32 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 2bpn h VAL 84 CO -0.12 0.71 -0.21 -0.33 0.02 0.00 0.00 177.57 177.64 2bpn h GLU 85 N 0.16 0.00 0.15 1.57 4.39 0.25 -3.32 114.58 117.79 2bpn h GLU 85 Ca -0.04 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 2bpn h GLU 85 Cb 1.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.07 2bpn h GLU 85 CO 0.13 0.00 -0.07 0.28 -1.16 0.00 0.00 179.01 178.19 2bpn h VAL 86 N 0.00 0.84 -1.74 3.13 2.07 0.22 -3.46 116.25 117.31 2bpn h VAL 86 Ca 0.00 -1.16 -0.49 0.00 0.82 0.00 0.00 66.70 65.87 2bpn h VAL 86 Cb 0.90 1.42 0.25 0.00 -1.52 0.00 0.00 31.29 32.34 2bpn h VAL 86 CO 0.00 0.22 -1.94 0.00 0.02 0.00 0.00 177.57 175.87 2bpn n ALA 87 N -2.58 -5.03 0.08 1.67 0.00 -1.04 -4.93 120.51 108.68 2bpn n ALA 87 Ca -0.07 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.17 2bpn n ALA 87 Cb 0.26 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 2.90 -1.07 1.62 0.00 0.00 -1.26 -4.98 105.19 102.40 2bpn n GLY 88 Ca -0.01 0.17 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.81 3.07 -3.64 4.61 0.00 -1.26 -5.07 120.51 115.42 2bpn n ALA 89 Ca 0.00 -1.47 -0.35 0.00 0.00 0.00 0.00 53.44 51.62 2bpn n ALA 89 Cb 0.00 -0.59 -0.14 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.64 4.82 -0.05 0.00 -1.08 -1.26 -4.94 116.67 112.53 2bpn s ASP 90 Ca 0.15 -1.20 0.05 0.00 -0.52 0.00 0.00 52.55 51.02 2bpn s ASP 90 Cb 0.23 -1.71 0.23 0.00 -1.46 0.00 0.00 42.92 40.20 2bpn s ASP 90 CO -0.08 -0.24 0.97 0.00 0.52 0.00 0.00 175.17 176.34 2bpn n ALA 91 N 4.64 2.76 -0.02 3.66 0.00 -1.26 -2.93 120.51 127.36 2bpn n ALA 91 Ca -0.14 -0.50 -0.03 0.00 0.00 0.00 0.00 53.44 52.77 2bpn n ALA 91 Cb 0.44 -1.02 -0.01 0.00 0.00 0.00 0.00 19.45 18.86 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 0.17 2.70 0.23 0.00 0.00 -1.26 -4.47 120.51 117.89 2bpn n ALA 92 Ca 0.08 -0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.47 2bpn n ALA 92 Cb 0.41 0.45 0.57 0.00 0.00 0.00 0.00 19.45 20.88 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 -0.11 0.00 -0.03 0.00 1.63 -1.99 0.84 116.57 116.91 2bpn h LYS 93 Ca -0.08 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 2bpn h LYS 93 Cb 1.08 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.71 2bpn h LYS 93 CO -0.05 0.20 0.00 0.36 -3.45 0.00 0.00 179.45 176.52 2bpn n LYS 94 N -3.85 1.28 -0.00 1.90 -0.00 -1.15 -0.19 118.16 116.14 2bpn n LYS 94 Ca -0.02 -0.41 0.00 0.00 -0.00 0.00 0.00 58.31 57.89 2bpn n LYS 94 Cb 0.30 -1.44 0.00 0.00 -0.00 0.00 0.00 35.03 33.90 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 -0.46 1.61 0.00 -1.58 4.76 0.23 -4.20 118.16 118.52 2bpn n LYS 95 Ca 0.19 -1.17 0.00 0.00 -2.87 0.00 0.00 58.31 54.46 2bpn n LYS 95 Cb 0.20 -1.01 0.00 0.00 -1.84 0.00 0.00 35.03 32.37 2bpn n LYS 95 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2bpn n ASP 96 N -0.29 1.27 0.05 4.39 9.92 -0.85 -4.08 116.55 126.96 2bpn n ASP 96 Ca 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 54.79 54.12 2bpn n ASP 96 Cb 0.17 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.61 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 0.65 -1.42 0.64 3.38 -0.83 -1.53 115.31 116.21 2bpn h LEU 97 Ca 0.00 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2bpn h LEU 97 Cb 0.48 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2bpn h LEU 97 CO 0.00 1.27 -0.04 0.35 0.09 0.00 0.00 178.44 180.11 2bpn n THR 98 N -3.81 0.00 -1.40 0.22 -2.24 -1.25 -4.85 114.28 100.94 2bpn n THR 98 Ca -0.07 -0.48 -0.36 0.00 -2.27 0.00 0.00 64.05 60.87 2bpn n THR 98 Cb 0.80 1.27 0.08 0.00 -2.10 0.00 0.00 70.33 70.38 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 0.81 -0.40 0.13 3.38 0.00 -1.23 -4.94 105.19 102.96 2bpn n GLY 99 Ca 0.08 -0.31 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.49 2.66 -1.11 0.00 0.00 -1.26 -4.38 119.74 113.17 2bpn s LYS 101 Ca -0.34 -0.80 0.00 0.00 0.00 0.00 0.00 55.97 54.84 2bpn s LYS 101 Cb 0.11 -2.60 0.00 0.00 0.00 0.00 0.00 37.83 35.33 2bpn s LYS 101 CO 0.57 0.55 0.00 1.17 0.00 0.00 0.00 175.35 177.64 2bpn n LYS 102 N 0.49 -1.55 -1.76 1.78 4.81 -0.73 -4.89 118.16 116.30 2bpn n LYS 102 Ca -0.10 0.62 -0.30 0.00 -0.87 0.00 0.00 58.31 57.66 2bpn n LYS 102 Cb 0.52 -4.94 0.06 0.00 0.02 0.00 0.00 35.03 30.69 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 -1.96 5.13 0.61 3.14 0.15 -0.92 -4.71 113.70 115.14 2bpn s SER 103 Ca 0.00 1.22 0.38 0.00 0.70 0.00 0.00 55.95 58.25 2bpn s SER 103 Cb 0.00 -2.00 2.02 0.00 -1.71 0.00 0.00 66.02 64.33 2bpn s SER 103 CO 0.00 -1.55 2.25 0.11 1.20 0.00 0.00 173.24 175.25 2bpn h LYS 104 N -0.80 0.00 0.00 5.44 6.56 -1.59 0.11 116.57 126.30 2bpn h LYS 104 Ca -0.46 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.08 2bpn h LYS 104 Cb 1.26 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.91 2bpn h LYS 104 CO 0.62 0.02 -1.13 0.00 -2.06 0.00 0.00 179.45 176.90 2bpn n HIS 106 N -4.45 2.56 0.75 0.00 8.25 -1.18 -4.52 115.22 116.63 2bpn n HIS 106 Ca -0.18 -2.59 0.06 0.00 -0.26 0.00 0.00 57.72 54.75 2bpn n HIS 106 Cb 0.54 -1.52 0.36 0.00 1.12 0.00 0.00 29.99 30.48 2bpn n HIS 106 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13