#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 4.09 0.69 0.00 0.04 -1.26 -5.07 135.00 133.49 2bpn s PRO 2 Ca 0.00 0.84 -0.10 0.00 0.04 0.00 0.00 61.00 61.78 2bpn s PRO 2 Cb 0.00 -2.35 0.02 0.00 0.04 0.00 0.00 34.50 32.22 2bpn s PRO 2 CO 0.00 0.09 1.06 0.15 0.04 0.00 0.00 177.00 178.34 2bpn s LYS 3 N -3.04 2.75 -0.68 4.56 1.02 -1.26 -5.03 119.74 118.06 2bpn s LYS 3 Ca 0.57 0.28 -0.01 0.00 0.02 0.00 0.00 55.97 56.82 2bpn s LYS 3 Cb -0.10 -2.08 0.17 0.00 -0.52 0.00 0.00 37.83 35.30 2bpn s LYS 3 CO 0.16 -1.03 0.50 0.00 -0.92 0.00 0.00 175.35 174.06 2bpn s ALA 4 N -3.29 3.71 1.00 5.17 0.00 -1.26 -5.08 121.76 122.01 2bpn s ALA 4 Ca 0.58 -3.43 -0.20 0.00 0.00 0.00 0.00 51.96 48.90 2bpn s ALA 4 Cb -0.11 -2.62 -0.15 0.00 0.00 0.00 0.00 23.12 20.24 2bpn s ALA 4 CO 0.50 -2.11 -0.95 -2.30 0.00 0.00 0.00 175.76 170.89 2bpn n PRO 5 N 3.10 -0.06 -2.92 0.00 -0.02 -1.26 -4.89 135.00 128.95 2bpn n PRO 5 Ca 0.11 -0.02 -0.35 0.00 -2.02 0.00 0.00 63.50 61.22 2bpn n PRO 5 Cb 0.37 -1.07 -0.06 0.00 -0.02 0.00 0.00 33.50 32.72 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 -2.03 3.24 1.03 3.55 0.00 -1.26 -4.89 121.76 121.40 2bpn s ALA 6 Ca 0.40 0.34 -0.22 0.00 0.00 0.00 0.00 51.96 52.48 2bpn s ALA 6 Cb -0.09 -3.03 -0.10 0.00 0.00 0.00 0.00 23.12 19.90 2bpn s ALA 6 CO 0.77 0.22 -0.89 -0.25 0.00 0.00 0.00 175.76 175.61 2bpn n ASP 7 N 0.21 -3.36 0.00 0.00 8.00 -1.26 -4.56 116.55 115.58 2bpn n ASP 7 Ca 0.02 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.55 2bpn n ASP 7 Cb 0.52 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 40.90 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 2.98 1.75 3.47 0.44 0.00 -1.26 -5.09 105.19 107.49 2bpn n GLY 8 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 3.29 -0.00 0.99 0.05 -1.26 -5.09 118.68 116.66 2bpn s LEU 9 Ca 0.00 -0.17 0.03 0.00 0.05 0.00 0.00 54.13 54.04 2bpn s LEU 9 Cb 0.00 -1.82 -0.01 0.00 -2.05 0.00 0.00 46.19 42.31 2bpn s LEU 9 CO 0.00 0.10 -0.08 -1.59 -0.55 0.00 0.00 176.35 174.23 2bpn s LYS 10 N 0.79 0.64 -0.26 1.48 0.00 -1.26 -1.96 119.74 119.17 2bpn s LYS 10 Ca 0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 55.97 55.54 2bpn s LYS 10 Cb -0.14 -0.61 -0.04 0.00 0.00 0.00 0.00 37.83 37.04 2bpn s LYS 10 CO 0.02 0.16 0.12 -1.64 0.00 0.00 0.00 175.35 174.02 2bpn s MET 11 N -0.33 3.81 -0.40 1.78 -1.94 0.91 -4.92 119.30 118.22 2bpn s MET 11 Ca 0.02 -0.40 0.10 0.00 -1.71 0.00 0.00 55.69 53.70 2bpn s MET 11 Cb -0.04 -3.47 0.35 0.00 2.01 0.00 0.00 34.83 33.68 2bpn s MET 11 CO -0.00 -0.15 0.92 -0.85 -0.01 0.00 0.00 175.02 174.93 2bpn n GLU 12 N 4.89 1.01 0.08 2.03 0.28 -1.26 0.19 120.64 127.86 2bpn n GLU 12 Ca -0.15 -2.75 -0.17 0.00 -0.16 0.00 0.00 57.16 53.93 2bpn n GLU 12 Cb 0.52 -1.34 -0.14 0.00 1.43 0.00 0.00 31.44 31.90 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 2.95 0.20 -3.00 -1.84 0.00 -1.93 -3.46 119.26 112.18 2bpn h ALA 13 Ca -0.01 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 53.87 2bpn h ALA 13 Cb 1.05 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2bpn h ALA 13 CO 0.33 1.07 0.00 0.25 0.00 0.00 0.00 179.25 180.91 2bpn n THR 14 N -3.48 0.00 -0.22 0.00 -2.24 -1.26 -4.94 114.28 102.13 2bpn n THR 14 Ca -0.14 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.53 2bpn n THR 14 Cb 1.04 -0.94 0.12 0.00 -2.10 0.00 0.00 70.33 68.45 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 1.91 -3.28 -0.78 5.02 -1.26 -4.64 118.16 115.12 2bpn n LYS 15 Ca 0.00 -1.69 -0.06 0.00 -2.02 0.00 0.00 58.31 54.54 2bpn n LYS 15 Cb 0.00 -1.70 -0.05 0.00 -0.02 0.00 0.00 35.03 33.26 2bpn n LYS 15 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2bpn s GLN 16 N -1.86 0.43 0.01 1.97 -1.52 -1.26 -5.14 119.66 112.30 2bpn s GLN 16 Ca 0.32 0.36 -0.29 0.00 -1.95 0.00 0.00 55.36 53.80 2bpn s GLN 16 Cb 0.26 -0.21 -0.04 0.00 -0.22 0.00 0.00 33.01 32.81 2bpn s GLN 16 CO 0.07 -0.90 0.93 -1.25 -0.25 0.00 0.00 175.29 173.89 2bpn s PRO 17 N 2.61 4.57 -0.09 2.91 0.04 -1.26 -4.56 135.00 139.22 2bpn s PRO 17 Ca 0.12 1.34 -0.02 0.00 0.04 0.00 0.00 61.00 62.48 2bpn s PRO 17 Cb -0.13 -3.44 0.03 0.00 0.04 0.00 0.00 34.50 31.00 2bpn s PRO 17 CO -0.25 0.03 0.02 0.08 0.04 0.00 0.00 177.00 176.91 2bpn s VAL 18 N 0.74 0.32 0.40 -0.36 1.01 0.51 -4.82 120.40 118.21 2bpn s VAL 18 Ca 0.49 0.07 -0.19 0.00 0.00 0.00 0.00 61.98 62.35 2bpn s VAL 18 Cb -0.21 -0.55 -0.10 0.00 0.00 0.00 0.00 36.38 35.52 2bpn s VAL 18 CO 0.27 0.18 0.88 0.54 0.00 0.00 0.00 175.10 176.97 2bpn s VAL 19 N 1.99 4.50 -0.21 2.92 0.11 -1.26 -0.06 120.40 128.38 2bpn s VAL 19 Ca 0.04 1.28 -0.06 0.00 -2.93 0.00 0.00 61.98 60.31 2bpn s VAL 19 Cb -0.13 -3.61 0.10 0.00 -1.53 0.00 0.00 36.38 31.21 2bpn s VAL 19 CO -0.05 -0.31 0.42 0.12 -3.33 0.00 0.00 175.10 171.95 2bpn s PHE 20 N -2.15 -0.85 -0.17 1.54 2.19 -0.83 -4.90 117.98 112.81 2bpn s PHE 20 Ca 0.59 1.40 -0.07 0.00 0.33 0.00 0.00 56.93 59.18 2bpn s PHE 20 Cb -0.09 0.27 -0.04 0.00 -1.31 0.00 0.00 43.02 41.84 2bpn s PHE 20 CO 0.16 -0.55 0.08 -0.80 1.83 0.00 0.00 175.22 175.93 2bpn s ASN 21 N 2.62 5.76 0.52 6.13 0.01 -1.26 -4.34 114.94 124.37 2bpn s ASN 21 Ca 0.02 0.14 0.17 0.00 -0.71 0.00 0.00 52.86 52.48 2bpn s ASN 21 Cb -0.13 -1.97 1.28 0.00 0.41 0.00 0.00 41.25 40.85 2bpn s ASN 21 CO -0.14 0.20 2.14 0.45 -1.51 0.00 0.00 177.10 178.24 2bpn h HIS 22 N 6.47 0.00 -0.66 2.20 3.86 -1.90 -1.87 115.15 123.26 2bpn h HIS 22 Ca -0.40 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 58.87 2bpn h HIS 22 Cb 1.17 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.59 2bpn h HIS 22 CO 0.58 0.03 0.38 0.66 0.86 0.00 0.00 177.93 180.44 2bpn h SER 23 N 0.00 0.57 0.32 2.45 4.64 -1.93 1.09 113.55 120.70 2bpn h SER 23 Ca -0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2bpn h SER 23 Cb 0.05 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2bpn h SER 23 CO 0.00 0.38 0.00 0.35 -0.87 0.00 0.00 176.83 176.69 2bpn n THR 24 N -4.77 0.16 -2.70 2.95 -2.24 -0.71 -3.23 114.28 103.75 2bpn n THR 24 Ca 0.08 0.04 -0.07 0.00 -2.27 0.00 0.00 64.05 61.83 2bpn n THR 24 Cb 0.15 -0.64 0.05 0.00 -2.10 0.00 0.00 70.33 67.79 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 -1.20 0.62 0.55 4.78 8.25 0.11 -4.84 115.22 123.48 2bpn n HIS 25 Ca 0.14 -2.52 0.09 0.00 -0.26 0.00 0.00 57.72 55.17 2bpn n HIS 25 Cb 0.16 -0.04 0.11 0.00 1.12 0.00 0.00 29.99 31.34 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 1.82 -0.87 -0.41 5.02 0.34 -4.25 118.16 119.53 2bpn n LYS 26 Ca 0.06 -1.77 -0.07 0.00 -2.02 0.00 0.00 58.31 54.51 2bpn n LYS 26 Cb 0.82 -1.37 0.20 0.00 -0.02 0.00 0.00 35.03 34.66 2bpn n LYS 26 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2bpn n SER 27 N 1.07 2.63 -3.99 4.39 7.64 -1.26 -4.96 113.62 119.15 2bpn n SER 27 Ca 0.13 -3.76 -0.17 0.00 1.01 0.00 0.00 58.87 56.08 2bpn n SER 27 Cb 0.48 -0.66 -0.14 0.00 -1.01 0.00 0.00 64.21 62.87 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 -3.26 0.52 0.12 0.44 1.01 -1.26 -5.11 120.40 112.86 2bpn s VAL 28 Ca 0.46 -0.33 -0.34 0.00 0.00 0.00 0.00 61.98 61.78 2bpn s VAL 28 Cb 0.42 -0.44 -0.13 0.00 0.00 0.00 0.00 36.38 36.22 2bpn s VAL 28 CO 0.01 0.11 1.67 1.17 0.00 0.00 0.00 175.10 178.06 2bpn n LYS 29 N 2.83 2.27 0.18 2.72 4.81 -1.26 -4.79 118.16 124.91 2bpn n LYS 29 Ca -0.14 0.82 0.18 0.00 -0.87 0.00 0.00 58.31 58.31 2bpn n LYS 29 Cb 0.58 -2.62 0.80 0.00 0.02 0.00 0.00 35.03 33.81 2bpn n LYS 29 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2bpn n GLY 31 N -1.40 -0.93 0.11 0.00 0.00 -1.26 0.10 105.19 101.81 2bpn n GLY 31 Ca 0.03 -0.12 -0.16 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 0.38 0.00 1.61 1.82 0.14 -3.35 116.42 117.02 2bpn h ASP 32 Ca 0.00 -0.45 -0.30 0.00 -0.39 0.00 0.00 57.03 55.89 2bpn h ASP 32 Cb 0.14 -0.12 -0.05 0.00 0.68 0.00 0.00 39.33 39.98 2bpn h ASP 32 CO 0.00 1.37 -2.07 0.00 -1.61 0.00 0.00 179.24 176.93 2bpn n HIS 34 N -3.40 4.65 -1.77 0.00 8.25 0.28 -5.03 115.22 118.21 2bpn n HIS 34 Ca -0.35 -3.46 -0.33 0.00 -0.26 0.00 0.00 57.72 53.32 2bpn n HIS 34 Cb 0.82 -1.88 0.05 0.00 1.12 0.00 0.00 29.99 30.10 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 -0.16 2.61 -0.14 4.41 -0.00 -1.26 -4.09 115.29 116.67 2bpn s HIS 35 Ca 0.36 1.55 -0.29 0.00 -0.00 0.00 0.00 55.06 56.68 2bpn s HIS 35 Cb -0.04 -3.18 -0.02 0.00 -0.00 0.00 0.00 32.58 29.35 2bpn s HIS 35 CO -0.02 -1.71 1.22 -1.25 -0.00 0.00 0.00 174.74 172.98 2bpn s PRO 36 N -4.06 4.27 0.09 -0.38 0.04 -1.26 -2.79 135.00 130.91 2bpn s PRO 36 Ca 0.67 1.63 0.08 0.00 0.04 0.00 0.00 61.00 63.42 2bpn s PRO 36 Cb -0.21 -3.69 -0.04 0.00 0.04 0.00 0.00 34.50 30.61 2bpn s PRO 36 CO 0.41 -0.61 -0.16 0.08 0.04 0.00 0.00 177.00 176.76 2bpn s VAL 37 N 3.06 2.99 -0.11 -0.36 1.01 -1.15 -4.56 120.40 121.26 2bpn s VAL 37 Ca 0.54 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 61.20 2bpn s VAL 37 Cb -0.22 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.82 2bpn s VAL 37 CO 0.16 0.19 0.00 -3.20 0.00 0.00 0.00 175.10 172.25 2bpn n ASN 38 N 1.04 -1.24 -2.75 3.32 4.05 -1.26 0.30 115.26 118.72 2bpn n ASN 38 Ca -0.15 0.45 -0.10 0.00 0.45 0.00 0.00 54.58 55.22 2bpn n ASN 38 Cb 0.52 -1.21 0.05 0.00 1.23 0.00 0.00 39.78 40.37 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 -0.50 -0.61 0.00 8.20 0.00 -1.26 -5.03 105.19 105.98 2bpn n GLY 39 Ca -0.01 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -2.65 0.00 -1.09 1.61 4.81 0.15 -5.12 118.16 115.87 2bpn n LYS 40 Ca -0.05 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 56.97 2bpn n LYS 40 Cb 0.58 0.00 -0.06 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 -4.36 1.64 1.02 -1.26 -2.96 120.64 114.73 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 -0.99 -0.11 0.00 -0.02 0.00 0.00 31.44 30.33 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 1.21 5.07 -0.05 1.62 -1.08 -1.12 -4.84 116.67 117.48 2bpn s ASP 42 Ca 0.66 0.01 0.08 0.00 -0.52 0.00 0.00 52.55 52.78 2bpn s ASP 42 Cb -0.93 -1.64 0.12 0.00 -1.46 0.00 0.00 42.92 39.01 2bpn s ASP 42 CO 0.48 0.27 1.04 -1.22 0.52 0.00 0.00 175.17 176.26 2bpn n TYR 43 N 2.89 0.00 -2.62 -5.34 4.02 -1.26 -4.36 117.16 110.49 2bpn n TYR 43 Ca -0.18 -0.42 -0.22 0.00 -0.01 0.00 0.00 57.90 57.08 2bpn n TYR 43 Cb 0.53 -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 -1.19 2.27 0.12 -0.72 0.52 -1.26 -4.99 118.95 113.70 2bpn s ARG 44 Ca 0.13 -0.89 -0.27 0.00 -0.52 0.00 0.00 55.73 54.18 2bpn s ARG 44 Cb 0.11 -2.44 -0.15 0.00 0.52 0.00 0.00 34.95 32.99 2bpn s ARG 44 CO 0.01 -0.95 0.60 1.63 0.02 0.00 0.00 175.30 176.61 2bpn n LYS 45 N -2.50 0.00 -0.12 3.54 5.02 -1.26 -4.81 118.16 118.02 2bpn n LYS 45 Ca 0.10 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.31 2bpn n LYS 45 Cb 0.60 -0.99 -0.00 0.00 -0.02 0.00 0.00 35.03 34.61 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 -1.05 0.52 1.19 0.00 0.00 -1.26 -3.88 105.19 100.71 2bpn n GLY 47 Ca -0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.28 -0.13 -3.08 2.61 -1.04 -1.26 -2.90 114.28 108.21 2bpn n THR 48 Ca 0.00 0.41 -0.40 0.00 -2.04 0.00 0.00 64.05 62.02 2bpn n THR 48 Cb 0.00 -0.76 -0.06 0.00 -1.82 0.00 0.00 70.33 67.69 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 -3.45 3.56 0.00 2.41 0.00 -1.26 -3.64 121.76 119.38 2bpn s ALA 49 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.69 2bpn s ALA 49 Cb 0.00 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 20.09 2bpn s ALA 49 CO 0.00 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 175.53 2bpn n GLY 50 N 3.84 2.02 0.00 0.00 0.00 -1.26 -5.04 105.19 104.75 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 4.39 1.34 -0.27 0.00 3.76 -1.14 -4.59 115.29 118.78 2bpn s HIS 52 Ca 0.00 1.96 0.11 0.00 -0.15 0.00 0.00 55.06 56.98 2bpn s HIS 52 Cb 0.00 -3.46 0.52 0.00 1.11 0.00 0.00 32.58 30.75 2bpn s HIS 52 CO 0.00 -0.84 1.47 -3.47 -0.85 0.00 0.00 174.74 171.05 2bpn n ASP 53 N 18.67 2.84 -4.28 1.40 2.03 -1.24 -4.15 116.55 131.82 2bpn n ASP 53 Ca 0.42 -3.59 -0.35 0.00 0.52 0.00 0.00 54.79 51.80 2bpn n ASP 53 Cb 0.46 -0.62 -0.14 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 -2.36 4.42 -0.48 1.67 0.15 -1.10 -5.00 113.70 111.01 2bpn s SER 54 Ca 0.44 -0.60 0.07 0.00 0.70 0.00 0.00 55.95 56.57 2bpn s SER 54 Cb 0.39 -1.73 0.38 0.00 -1.71 0.00 0.00 66.02 63.35 2bpn s SER 54 CO 0.02 -0.08 0.96 0.23 1.20 0.00 0.00 173.24 175.58 2bpn n MET 55 N 4.77 2.73 -3.93 5.44 2.81 -1.26 -1.20 117.12 126.48 2bpn n MET 55 Ca -0.17 -4.36 -0.24 0.00 -1.81 0.00 0.00 57.70 51.11 2bpn n MET 55 Cb 0.49 -2.06 -0.05 0.00 -0.71 0.00 0.00 33.22 30.90 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 -3.30 4.64 -0.89 7.83 2.15 -1.26 -5.08 116.67 120.76 2bpn s ASP 56 Ca 0.45 -1.04 -0.02 0.00 0.43 0.00 0.00 52.55 52.37 2bpn s ASP 56 Cb 0.35 -0.28 0.22 0.00 -0.30 0.00 0.00 42.92 42.91 2bpn s ASP 56 CO -0.13 -0.71 0.78 -0.75 -0.17 0.00 0.00 175.17 174.20 2bpn s LYS 57 N -4.05 3.29 0.00 4.34 2.20 -1.26 -4.69 119.74 119.57 2bpn s LYS 57 Ca 0.40 -3.26 0.00 0.00 -0.36 0.00 0.00 55.97 52.75 2bpn s LYS 57 Cb 0.00 -3.97 0.00 0.00 -1.51 0.00 0.00 37.83 32.36 2bpn s LYS 57 CO 0.23 -1.26 0.00 1.63 -0.36 0.00 0.00 175.35 175.59 2bpn n LYS 58 N 2.36 0.00 -1.49 4.03 5.02 -1.26 -5.12 118.16 121.70 2bpn n LYS 58 Ca 0.21 0.00 -0.57 0.00 -2.02 0.00 0.00 58.31 55.93 2bpn n LYS 58 Cb 0.37 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.31 2bpn n LYS 58 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2bpn n ASP 59 N 0.00 -0.12 -0.36 4.39 2.03 -1.26 -4.84 116.55 116.38 2bpn n ASP 59 Ca 0.00 1.16 0.07 0.00 0.52 0.00 0.00 54.79 56.53 2bpn n ASP 59 Cb 0.00 -0.93 0.12 0.00 -0.72 0.00 0.00 41.12 39.59 2bpn n ASP 59 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2bpn n LYS 60 N 1.46 1.00 -1.23 -0.67 5.02 -1.26 -4.75 118.16 117.73 2bpn n LYS 60 Ca 0.20 -2.38 -0.29 0.00 -2.02 0.00 0.00 58.31 53.83 2bpn n LYS 60 Cb 0.10 -1.22 0.23 0.00 -0.02 0.00 0.00 35.03 34.12 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 -0.95 -1.45 0.00 4.39 7.64 -1.26 -4.81 113.62 117.17 2bpn n SER 61 Ca 0.13 -1.23 0.07 0.00 1.01 0.00 0.00 58.87 58.84 2bpn n SER 61 Cb 0.70 -0.97 0.32 0.00 -1.01 0.00 0.00 64.21 63.25 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 -4.53 1.70 0.84 -0.43 0.00 -1.26 -0.91 120.51 115.92 2bpn n ALA 62 Ca -0.20 -0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.30 2bpn n ALA 62 Cb 0.56 -1.22 0.21 0.00 0.00 0.00 0.00 19.45 18.99 2bpn n ALA 62 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2bpn n LYS 63 N -1.42 0.11 -2.17 0.00 5.02 -1.26 -4.68 118.16 113.76 2bpn n LYS 63 Ca 0.05 0.02 -0.43 0.00 -2.02 0.00 0.00 58.31 55.93 2bpn n LYS 63 Cb 0.14 -1.56 -0.02 0.00 -0.02 0.00 0.00 35.03 33.57 2bpn n LYS 63 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2bpn s GLY 64 N -3.24 1.28 0.04 0.72 0.00 -0.09 -2.69 107.32 103.34 2bpn s GLY 64 Ca 0.09 0.43 -0.28 0.00 0.00 0.00 0.00 44.72 44.96 2bpn s GLY 64 CO 0.72 2.91 1.43 -1.82 0.00 0.00 0.00 173.10 176.34 2bpn h TYR 65 N 10.32 -0.51 0.00 1.90 3.20 -1.43 -1.67 116.97 128.78 2bpn h TYR 65 Ca -0.32 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.53 2bpn h TYR 65 Cb 1.14 0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.58 2bpn h TYR 65 CO 0.90 -0.23 0.00 0.98 -1.64 0.00 0.00 178.16 178.17 2bpn n TYR 66 N -5.26 0.00 0.77 -3.82 4.19 -1.26 -1.75 117.16 110.04 2bpn n TYR 66 Ca -0.11 0.00 0.11 0.00 3.31 0.00 0.00 57.90 61.21 2bpn n TYR 66 Cb 0.27 -0.09 -0.05 0.00 0.49 0.00 0.00 39.34 39.96 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 -1.09 0.06 -0.89 2.98 -0.00 -0.82 -3.59 115.22 111.87 2bpn n HIS 67 Ca 0.14 0.02 0.08 0.00 0.46 0.00 0.00 57.72 58.42 2bpn n HIS 67 Cb 0.10 -0.19 0.29 0.00 -0.12 0.00 0.00 29.99 30.07 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 -1.70 2.27 -2.11 3.57 0.24 -0.69 -4.12 118.33 115.78 2bpn n VAL 68 Ca 0.03 -1.67 -0.03 0.00 -2.04 0.00 0.00 64.34 60.63 2bpn n VAL 68 Cb 0.39 -0.18 -0.03 0.00 -1.47 0.00 0.00 33.84 32.54 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 -0.08 0.00 0.00 7.34 -0.00 -1.22 -4.59 117.12 118.57 2bpn n MET 69 Ca 0.22 -1.06 0.00 0.00 -0.00 0.00 0.00 57.70 56.86 2bpn n MET 69 Cb 0.93 0.24 0.00 0.00 -0.00 0.00 0.00 33.22 34.39 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 0.11 0.00 -1.16 3.17 -0.00 -1.24 -4.12 115.22 111.98 2bpn n HIS 70 Ca -0.14 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.21 2bpn n HIS 70 Cb 0.77 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.79 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 -0.96 -4.06 -0.04 0.41 -0.08 -1.26 -3.27 116.55 107.29 2bpn n ASP 71 Ca 0.00 0.48 0.01 0.00 -1.51 0.00 0.00 54.79 53.77 2bpn n ASP 71 Cb 0.00 -0.88 -0.00 0.00 2.34 0.00 0.00 41.12 42.58 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 1.45 3.14 -1.02 -0.67 -0.00 -1.26 -4.42 118.16 115.38 2bpn n LYS 72 Ca 0.05 -0.29 -0.19 0.00 -0.00 0.00 0.00 58.31 57.87 2bpn n LYS 72 Cb 0.51 -0.80 0.02 0.00 -0.00 0.00 0.00 35.03 34.75 2bpn n LYS 72 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2bpn n ASN 73 N -0.51 6.54 -4.67 -5.58 4.13 -1.26 -4.89 115.26 109.01 2bpn n ASN 73 Ca 0.01 -3.13 -0.24 0.00 1.68 0.00 0.00 54.58 52.90 2bpn n ASN 73 Cb 0.05 -1.09 -0.08 0.00 -1.54 0.00 0.00 39.78 37.12 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 -2.41 2.63 0.24 3.41 -4.23 -1.26 -5.03 115.64 109.00 2bpn s THR 74 Ca 0.38 -1.87 -0.06 0.00 -1.18 0.00 0.00 61.69 58.96 2bpn s THR 74 Cb 0.28 -2.88 0.23 0.00 1.34 0.00 0.00 72.50 71.47 2bpn s THR 74 CO -0.04 -0.15 1.89 0.50 -0.54 0.00 0.00 174.62 176.27 2bpn h LYS 75 N 1.69 1.29 -6.63 3.99 1.63 -1.99 -3.43 116.57 113.12 2bpn h LYS 75 Ca -0.43 -0.12 -0.66 0.00 -0.85 0.00 0.00 60.65 58.59 2bpn h LYS 75 Cb 1.25 -0.27 -0.18 0.00 -0.60 0.00 0.00 32.23 32.43 2bpn h LYS 75 CO 0.67 0.90 -0.80 -0.06 -3.45 0.00 0.00 179.45 176.71 2bpn s PHE 76 N -5.95 2.41 0.88 1.91 0.08 -1.26 -5.12 117.98 110.92 2bpn s PHE 76 Ca -0.13 -0.32 -0.11 0.00 0.12 0.00 0.00 56.93 56.50 2bpn s PHE 76 Cb 0.17 -1.21 0.12 0.00 -0.57 0.00 0.00 43.02 41.53 2bpn s PHE 76 CO 0.83 0.47 1.15 0.15 -0.10 0.00 0.00 175.22 177.71 2bpn s LYS 77 N -2.56 1.28 0.00 0.44 1.02 -1.26 -4.97 119.74 113.70 2bpn s LYS 77 Ca 0.20 1.53 0.00 0.00 0.02 0.00 0.00 55.97 57.73 2bpn s LYS 77 Cb -0.09 -1.76 0.00 0.00 -0.52 0.00 0.00 37.83 35.46 2bpn s LYS 77 CO 0.11 -2.43 0.00 0.43 -0.92 0.00 0.00 175.35 172.53 2bpn n SER 78 N -3.99 0.00 0.00 2.83 7.64 -1.26 -4.89 113.62 113.95 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 1.41 0.00 0.00 2.07 -1.73 -3.00 116.25 115.00 2bpn h VAL 80 Ca 0.00 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.40 2bpn h VAL 80 Cb 0.00 2.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2bpn h VAL 80 CO 0.00 0.62 0.00 0.61 0.02 0.00 0.00 177.57 178.82 2bpn n GLY 81 N 0.39 -2.62 0.30 2.17 0.00 -1.20 0.12 105.19 104.35 2bpn n GLY 81 Ca -0.03 0.14 0.06 0.00 0.00 0.00 0.00 46.02 46.19 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 0.06 0.72 -0.08 0.00 3.86 -1.33 0.27 115.15 118.64 2bpn h HIS 83 Ca 0.44 0.02 -0.15 0.00 -1.16 0.00 0.00 60.37 59.52 2bpn h HIS 83 Cb 0.78 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 2bpn h HIS 83 CO -0.51 0.39 -0.60 0.28 0.86 0.00 0.00 177.93 178.36 2bpn h VAL 84 N 0.72 1.38 -0.00 2.45 2.07 1.01 1.86 116.25 125.74 2bpn h VAL 84 Ca 0.29 -1.96 0.00 0.00 0.82 0.00 0.00 66.70 65.85 2bpn h VAL 84 Cb 0.23 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 2bpn h VAL 84 CO -0.09 0.58 -0.12 1.21 0.02 0.00 0.00 177.57 179.17 2bpn n GLU 85 N -3.88 0.22 -0.04 1.57 2.13 0.10 -4.02 120.64 116.72 2bpn n GLU 85 Ca -0.02 -0.05 -0.08 0.00 0.66 0.00 0.00 57.16 57.66 2bpn n GLU 85 Cb 0.61 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.80 2bpn n GLU 85 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2bpn n VAL 86 N -1.35 1.23 -0.95 6.31 0.31 0.73 -4.67 118.33 119.95 2bpn n VAL 86 Ca 0.10 0.13 -0.25 0.00 -0.01 0.00 0.00 64.34 64.31 2bpn n VAL 86 Cb 0.31 -1.93 -0.05 0.00 -0.91 0.00 0.00 33.84 31.26 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 -3.94 5.83 -1.80 3.52 0.00 0.63 -3.90 120.51 120.85 2bpn n ALA 87 Ca -0.14 -2.38 0.05 0.00 0.00 0.00 0.00 53.44 50.97 2bpn n ALA 87 Cb 0.40 -2.96 0.09 0.00 0.00 0.00 0.00 19.45 16.99 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 3.41 2.84 0.03 0.00 0.00 -1.26 -4.51 105.19 105.70 2bpn n GLY 88 Ca 0.54 -0.81 -0.03 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.50 1.85 -2.59 4.61 0.00 -1.25 -5.03 120.51 117.60 2bpn n ALA 89 Ca 0.10 -0.38 -0.22 0.00 0.00 0.00 0.00 53.44 52.94 2bpn n ALA 89 Cb 0.80 0.17 -0.13 0.00 0.00 0.00 0.00 19.45 20.28 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 -3.94 2.14 -0.24 0.00 -1.08 -1.26 -5.02 116.67 107.26 2bpn s ASP 90 Ca -0.04 -0.58 0.05 0.00 -0.52 0.00 0.00 52.55 51.45 2bpn s ASP 90 Cb 0.02 -0.13 0.49 0.00 -1.46 0.00 0.00 42.92 41.84 2bpn s ASP 90 CO 0.23 0.04 1.50 0.00 0.52 0.00 0.00 175.17 177.46 2bpn n ALA 91 N 1.47 4.10 -0.02 3.66 0.00 -1.26 -3.83 120.51 124.63 2bpn n ALA 91 Ca -0.19 -1.66 -0.03 0.00 0.00 0.00 0.00 53.44 51.56 2bpn n ALA 91 Cb 0.54 -1.21 -0.01 0.00 0.00 0.00 0.00 19.45 18.77 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 -0.18 1.72 0.26 0.00 0.00 -1.26 -4.59 120.51 116.46 2bpn n ALA 92 Ca 0.31 -0.34 0.15 0.00 0.00 0.00 0.00 53.44 53.56 2bpn n ALA 92 Cb 1.12 0.09 0.86 0.00 0.00 0.00 0.00 19.45 21.53 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 -0.37 0.00 0.00 0.00 1.63 -1.95 0.14 116.57 116.02 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 0.37 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.00 2bpn h LYS 93 CO 0.00 0.00 0.19 1.57 -3.45 0.00 0.00 179.45 177.76 2bpn h LYS 94 N 0.00 0.00 -0.44 1.90 5.09 -1.79 1.80 116.57 123.12 2bpn h LYS 94 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.77 2bpn h LYS 94 Cb 0.16 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.49 2bpn h LYS 94 CO -0.00 0.00 0.00 1.17 -2.09 0.00 0.00 179.45 178.53 2bpn n LYS 95 N -2.65 3.81 0.00 0.07 4.81 0.48 -2.87 118.16 121.81 2bpn n LYS 95 Ca -0.02 -2.93 0.00 0.00 -0.87 0.00 0.00 58.31 54.49 2bpn n LYS 95 Cb 0.24 -1.99 0.00 0.00 0.02 0.00 0.00 35.03 33.30 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 0.20 0.67 -0.01 3.14 9.92 0.53 -4.28 116.55 126.72 2bpn n ASP 96 Ca 0.24 0.00 -0.17 0.00 -0.53 0.00 0.00 54.79 54.33 2bpn n ASP 96 Cb 0.99 0.00 -0.13 0.00 -0.64 0.00 0.00 41.12 41.34 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 0.26 -1.49 0.64 3.38 0.54 -2.79 115.31 115.84 2bpn h LEU 97 Ca 0.00 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.06 2bpn h LEU 97 Cb 0.26 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.93 2bpn h LEU 97 CO 0.00 1.15 -0.10 0.35 0.09 0.00 0.00 178.44 179.93 2bpn n THR 98 N -4.39 0.00 -0.96 0.22 -2.24 -1.23 -4.88 114.28 100.81 2bpn n THR 98 Ca -0.11 -0.45 -0.34 0.00 -2.27 0.00 0.00 64.05 60.87 2bpn n THR 98 Cb 0.62 1.33 0.10 0.00 -2.10 0.00 0.00 70.33 70.28 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 1.07 -1.98 0.12 3.38 0.00 -1.14 -4.93 105.19 101.72 2bpn n GLY 99 Ca 0.10 -0.63 -0.16 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.44 2.47 0.00 0.00 -2.85 -1.26 -4.57 119.74 111.09 2bpn s LYS 101 Ca -0.30 -0.73 0.00 0.00 -1.00 0.00 0.00 55.97 53.95 2bpn s LYS 101 Cb 0.08 -1.95 0.00 0.00 -2.06 0.00 0.00 37.83 33.90 2bpn s LYS 101 CO 0.50 0.18 0.00 1.17 0.10 0.00 0.00 175.35 177.30 2bpn n LYS 102 N 3.47 0.00 -1.95 1.78 0.00 -0.57 -4.97 118.16 115.92 2bpn n LYS 102 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 58.31 57.76 2bpn n LYS 102 Cb 0.53 -1.14 0.04 0.00 0.00 0.00 0.00 35.03 34.45 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 -3.18 5.16 0.26 3.14 0.15 -0.99 -4.59 113.70 113.65 2bpn s SER 103 Ca 0.00 2.28 -0.01 0.00 0.70 0.00 0.00 55.95 58.92 2bpn s SER 103 Cb 0.00 -2.59 0.54 0.00 -1.71 0.00 0.00 66.02 62.26 2bpn s SER 103 CO 0.00 -1.61 1.77 0.11 1.20 0.00 0.00 173.24 174.71 2bpn h LYS 104 N 0.66 0.63 0.32 5.44 6.56 -1.84 1.45 116.57 129.79 2bpn h LYS 104 Ca -0.49 -0.04 -0.02 0.00 -1.06 0.00 0.00 60.65 59.04 2bpn h LYS 104 Cb 1.28 -0.14 0.00 0.00 -0.57 0.00 0.00 32.23 32.80 2bpn h LYS 104 CO 0.55 0.42 -0.15 0.00 -2.06 0.00 0.00 179.45 178.20 2bpn n HIS 106 N -5.14 3.01 0.83 0.00 8.25 -0.51 -4.48 115.22 117.17 2bpn n HIS 106 Ca -0.10 -3.17 0.10 0.00 -0.26 0.00 0.00 57.72 54.30 2bpn n HIS 106 Cb 0.26 -0.95 0.08 0.00 1.12 0.00 0.00 29.99 30.51 2bpn n HIS 106 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37