#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 0.97 -3.90 0.00 -0.04 -1.26 -5.08 135.00 125.69 2bpn n PRO 2 Ca 0.00 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 2bpn n PRO 2 Cb 0.00 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.29 2bpn n PRO 2 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2bpn s LYS 3 N -0.47 1.51 -0.87 0.54 1.02 -1.26 -5.05 119.74 115.16 2bpn s LYS 3 Ca 0.00 -0.40 -0.25 0.00 0.02 0.00 0.00 55.97 55.33 2bpn s LYS 3 Cb 0.00 -1.83 -0.20 0.00 -0.52 0.00 0.00 37.83 35.28 2bpn s LYS 3 CO 0.00 -0.35 2.31 0.00 -0.92 0.00 0.00 175.35 176.38 2bpn n ALA 4 N 4.90 0.32 -0.79 5.17 0.00 -1.26 -4.79 120.51 124.06 2bpn n ALA 4 Ca -0.12 -0.29 -0.34 0.00 0.00 0.00 0.00 53.44 52.69 2bpn n ALA 4 Cb 0.49 -1.99 0.12 0.00 0.00 0.00 0.00 19.45 18.08 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 7.16 -0.81 -2.80 0.00 -0.02 -1.26 -4.92 135.00 132.35 2bpn n PRO 5 Ca 0.58 -0.22 -0.37 0.00 -2.02 0.00 0.00 63.50 61.47 2bpn n PRO 5 Cb 0.03 -1.58 -0.06 0.00 -0.02 0.00 0.00 33.50 31.88 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 -2.23 3.22 1.04 3.55 0.00 -1.26 -4.91 121.76 121.17 2bpn s ALA 6 Ca 0.52 0.51 -0.22 0.00 0.00 0.00 0.00 51.96 52.76 2bpn s ALA 6 Cb -0.12 -3.17 -0.07 0.00 0.00 0.00 0.00 23.12 19.76 2bpn s ALA 6 CO 0.68 0.18 -0.80 -0.25 0.00 0.00 0.00 175.76 175.58 2bpn n ASP 7 N 0.57 -3.13 0.00 0.00 8.00 -1.26 -4.57 116.55 116.16 2bpn n ASP 7 Ca 0.02 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.53 2bpn n ASP 7 Cb 0.50 -0.74 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 2.86 1.78 3.54 0.44 0.00 -1.26 -5.08 105.19 107.47 2bpn n GLY 8 Ca -0.00 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 3.57 0.00 0.99 0.05 -1.26 -5.08 118.68 116.96 2bpn s LEU 9 Ca 0.00 -0.06 0.02 0.00 0.05 0.00 0.00 54.13 54.14 2bpn s LEU 9 Cb 0.00 -1.91 -0.01 0.00 -2.05 0.00 0.00 46.19 42.22 2bpn s LEU 9 CO 0.00 0.10 -0.07 -1.59 -0.55 0.00 0.00 176.35 174.25 2bpn s LYS 10 N 0.79 0.50 -0.25 1.48 0.00 -1.26 -1.74 119.74 119.26 2bpn s LYS 10 Ca 0.02 -0.32 -0.06 0.00 0.00 0.00 0.00 55.97 55.61 2bpn s LYS 10 Cb -0.14 -0.45 -0.02 0.00 0.00 0.00 0.00 37.83 37.22 2bpn s LYS 10 CO 0.02 0.12 0.04 -1.64 0.00 0.00 0.00 175.35 173.90 2bpn s MET 11 N -0.41 3.48 -0.39 1.78 -1.94 0.69 -4.94 119.30 117.58 2bpn s MET 11 Ca 0.00 -0.58 0.11 0.00 -1.71 0.00 0.00 55.69 53.51 2bpn s MET 11 Cb -0.04 -3.26 0.36 0.00 2.01 0.00 0.00 34.83 33.91 2bpn s MET 11 CO -0.00 -0.24 0.93 -0.85 -0.01 0.00 0.00 175.02 174.85 2bpn n GLU 12 N 4.88 1.03 0.08 2.03 0.28 -1.26 0.19 120.64 127.88 2bpn n GLU 12 Ca -0.16 -2.82 -0.18 0.00 -0.16 0.00 0.00 57.16 53.84 2bpn n GLU 12 Cb 0.51 -1.30 -0.14 0.00 1.43 0.00 0.00 31.44 31.93 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 2.91 0.17 -3.00 -1.84 0.00 -1.94 -3.46 119.26 112.10 2bpn h ALA 13 Ca -0.02 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.87 2bpn h ALA 13 Cb 1.07 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2bpn h ALA 13 CO 0.35 1.04 0.00 0.25 0.00 0.00 0.00 179.25 180.88 2bpn n THR 14 N -3.51 0.00 -0.15 0.00 -2.24 -1.26 -4.94 114.28 102.17 2bpn n THR 14 Ca -0.14 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.60 2bpn n THR 14 Cb 1.05 -0.97 0.18 0.00 -2.10 0.00 0.00 70.33 68.48 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 2.60 -3.37 -0.78 5.02 -1.26 -4.65 118.16 115.73 2bpn n LYS 15 Ca 0.00 -1.76 -0.12 0.00 -2.02 0.00 0.00 58.31 54.41 2bpn n LYS 15 Cb 0.00 -1.83 -0.08 0.00 -0.02 0.00 0.00 35.03 33.10 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 -1.95 0.34 0.04 1.97 -1.52 -1.26 -5.14 119.66 112.15 2bpn s GLN 16 Ca 0.32 0.18 -0.29 0.00 -1.95 0.00 0.00 55.36 53.61 2bpn s GLN 16 Cb 0.25 -0.56 -0.04 0.00 -0.22 0.00 0.00 33.01 32.44 2bpn s GLN 16 CO 0.08 -0.87 0.94 -1.25 -0.25 0.00 0.00 175.29 173.94 2bpn s PRO 17 N 2.47 4.60 -0.10 2.91 0.04 -1.26 -4.58 135.00 139.08 2bpn s PRO 17 Ca 0.10 1.37 -0.02 0.00 0.04 0.00 0.00 61.00 62.49 2bpn s PRO 17 Cb -0.14 -3.42 0.04 0.00 0.04 0.00 0.00 34.50 31.01 2bpn s PRO 17 CO -0.25 0.07 0.03 0.08 0.04 0.00 0.00 177.00 176.98 2bpn s VAL 18 N 0.56 0.25 0.37 -0.36 1.01 0.50 -4.77 120.40 117.97 2bpn s VAL 18 Ca 0.48 0.02 -0.18 0.00 0.00 0.00 0.00 61.98 62.31 2bpn s VAL 18 Cb -0.22 -0.56 -0.10 0.00 0.00 0.00 0.00 36.38 35.51 2bpn s VAL 18 CO 0.28 0.09 0.83 0.54 0.00 0.00 0.00 175.10 176.84 2bpn s VAL 19 N 2.01 4.55 -0.22 2.92 0.11 -1.26 -0.22 120.40 128.28 2bpn s VAL 19 Ca 0.04 1.19 -0.06 0.00 -2.93 0.00 0.00 61.98 60.21 2bpn s VAL 19 Cb -0.14 -3.61 0.11 0.00 -1.53 0.00 0.00 36.38 31.22 2bpn s VAL 19 CO -0.06 -0.25 0.44 0.12 -3.33 0.00 0.00 175.10 172.02 2bpn s PHE 20 N -2.08 -0.90 -0.22 1.54 2.19 -0.71 -4.91 117.98 112.88 2bpn s PHE 20 Ca 0.58 1.43 -0.09 0.00 0.33 0.00 0.00 56.93 59.18 2bpn s PHE 20 Cb -0.10 0.29 -0.04 0.00 -1.31 0.00 0.00 43.02 41.86 2bpn s PHE 20 CO 0.16 -0.58 0.11 -0.80 1.83 0.00 0.00 175.22 175.93 2bpn s ASN 21 N 2.64 5.77 0.55 6.13 -0.87 -1.26 -4.24 114.94 123.65 2bpn s ASN 21 Ca 0.03 0.05 0.27 0.00 -1.57 0.00 0.00 52.86 51.64 2bpn s ASN 21 Cb -0.13 -2.02 1.46 0.00 -0.02 0.00 0.00 41.25 40.54 2bpn s ASN 21 CO -0.15 0.09 1.98 0.45 -2.57 0.00 0.00 177.10 176.91 2bpn h HIS 22 N 7.29 0.00 -0.74 2.20 3.86 -1.91 0.67 115.15 126.52 2bpn h HIS 22 Ca -0.38 0.00 0.04 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 0.63 0.00 0.46 0.66 0.86 0.00 0.00 177.93 180.54 2bpn h SER 23 N 0.00 0.76 0.25 2.45 4.64 -1.93 0.93 113.55 120.65 2bpn h SER 23 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2bpn h SER 23 Cb 1.04 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 2bpn h SER 23 CO -0.00 0.52 0.00 0.35 -0.87 0.00 0.00 176.83 176.82 2bpn n THR 24 N -4.65 0.08 -2.69 2.95 -2.24 0.21 -3.33 114.28 104.62 2bpn n THR 24 Ca 0.09 0.02 -0.07 0.00 -2.27 0.00 0.00 64.05 61.81 2bpn n THR 24 Cb 0.10 -0.59 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 -1.14 0.39 0.21 4.78 8.25 0.78 -4.85 115.22 123.64 2bpn n HIS 25 Ca 0.16 -2.51 0.09 0.00 -0.26 0.00 0.00 57.72 55.20 2bpn n HIS 25 Cb 0.15 0.07 0.16 0.00 1.12 0.00 0.00 29.99 31.50 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 -0.28 2.17 -0.91 -0.41 2.85 0.29 -4.27 118.16 117.60 2bpn n LYS 26 Ca 0.06 -1.99 -0.05 0.00 -1.05 0.00 0.00 58.31 55.28 2bpn n LYS 26 Cb 0.82 -1.39 0.18 0.00 -0.65 0.00 0.00 35.03 33.99 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 1.08 2.67 -3.93 -5.58 2.88 -1.26 -4.98 113.62 104.50 2bpn n SER 27 Ca 0.15 -3.83 -0.15 0.00 -1.33 0.00 0.00 58.87 53.71 2bpn n SER 27 Cb 0.49 -0.59 -0.14 0.00 -0.75 0.00 0.00 64.21 63.22 2bpn n SER 27 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2bpn s VAL 28 N -3.45 0.29 0.10 2.46 1.01 -1.26 -5.11 120.40 114.43 2bpn s VAL 28 Ca 0.44 -0.16 -0.34 0.00 0.00 0.00 0.00 61.98 61.92 2bpn s VAL 28 Cb 0.40 -0.25 -0.14 0.00 0.00 0.00 0.00 36.38 36.40 2bpn s VAL 28 CO -0.02 0.08 1.64 1.17 0.00 0.00 0.00 175.10 177.97 2bpn n LYS 29 N 2.99 2.09 0.18 2.72 4.81 -1.26 -4.79 118.16 124.90 2bpn n LYS 29 Ca -0.13 0.76 0.18 0.00 -0.87 0.00 0.00 58.31 58.25 2bpn n LYS 29 Cb 0.59 -2.54 0.81 0.00 0.02 0.00 0.00 35.03 33.91 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 -1.41 -0.82 0.13 0.00 0.00 -1.26 0.75 105.19 102.58 2bpn n GLY 31 Ca 0.03 -0.12 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 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 0.54 0.00 1.61 1.82 0.88 -3.35 116.42 117.93 2bpn h ASP 32 Ca 0.00 -0.70 -0.38 0.00 -0.39 0.00 0.00 57.03 55.56 2bpn h ASP 32 Cb 0.09 -0.18 -0.06 0.00 0.68 0.00 0.00 39.33 39.86 2bpn h ASP 32 CO 0.00 1.58 -2.35 0.00 -1.61 0.00 0.00 179.24 176.85 2bpn n HIS 34 N -3.58 4.72 -1.79 0.00 8.25 0.23 -5.03 115.22 118.03 2bpn n HIS 34 Ca -0.45 -3.49 -0.33 0.00 -0.26 0.00 0.00 57.72 53.19 2bpn n HIS 34 Cb 0.90 -1.88 0.04 0.00 1.12 0.00 0.00 29.99 30.17 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 -0.17 2.67 -0.14 4.41 -3.43 -1.26 -4.11 115.29 113.26 2bpn s HIS 35 Ca 0.36 1.54 -0.29 0.00 -0.80 0.00 0.00 55.06 55.87 2bpn s HIS 35 Cb -0.04 -3.15 -0.02 0.00 -1.43 0.00 0.00 32.58 27.94 2bpn s HIS 35 CO -0.02 -1.62 1.23 -1.25 -2.00 0.00 0.00 174.74 171.07 2bpn s PRO 36 N -4.10 4.27 0.09 -0.38 0.04 -1.26 -2.88 135.00 130.77 2bpn s PRO 36 Ca 0.66 1.64 0.08 0.00 0.04 0.00 0.00 61.00 63.42 2bpn s PRO 36 Cb -0.20 -3.70 -0.04 0.00 0.04 0.00 0.00 34.50 30.60 2bpn s PRO 36 CO 0.41 -0.63 -0.15 0.08 0.04 0.00 0.00 177.00 176.75 2bpn s VAL 37 N 3.14 3.05 -0.06 -0.36 1.01 -1.16 -4.56 120.40 121.46 2bpn s VAL 37 Ca 0.54 -1.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 2bpn s VAL 37 Cb -0.22 -2.38 0.01 0.00 0.00 0.00 0.00 36.38 33.78 2bpn s VAL 37 CO 0.16 0.16 0.02 0.59 0.00 0.00 0.00 175.10 176.03 2bpn n ASN 38 N 0.95 -1.04 -2.82 3.32 5.03 -1.26 0.52 115.26 119.96 2bpn n ASN 38 Ca -0.15 0.45 -0.11 0.00 0.87 0.00 0.00 54.58 55.64 2bpn n ASN 38 Cb 0.52 -1.03 0.05 0.00 -1.02 0.00 0.00 39.78 38.30 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 -0.52 -0.68 0.00 7.41 0.00 -1.26 -5.03 105.19 105.11 2bpn n GLY 39 Ca 0.00 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 -2.75 0.00 -1.10 1.61 4.81 0.19 -5.12 118.16 115.80 2bpn n LYS 40 Ca -0.05 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.96 2bpn n LYS 40 Cb 0.59 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.58 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 -4.48 1.64 1.02 -1.26 -2.99 120.64 114.57 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 -1.00 -0.12 0.00 -0.02 0.00 0.00 31.44 30.30 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 1.16 4.78 -0.08 1.62 2.15 -1.14 -4.84 116.67 120.32 2bpn s ASP 42 Ca 0.66 -0.07 0.12 0.00 0.43 0.00 0.00 52.55 53.69 2bpn s ASP 42 Cb -0.94 -1.56 0.22 0.00 -0.30 0.00 0.00 42.92 40.35 2bpn s ASP 42 CO 0.48 0.25 1.11 -1.22 -0.17 0.00 0.00 175.17 175.62 2bpn n TYR 43 N 2.97 0.00 -2.74 -5.34 4.02 -1.26 -4.36 117.16 110.44 2bpn n TYR 43 Ca -0.18 -0.64 -0.20 0.00 -0.01 0.00 0.00 57.90 56.87 2bpn n TYR 43 Cb 0.53 -0.13 0.04 0.00 -0.02 0.00 0.00 39.34 39.76 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 -1.52 2.49 0.12 -0.72 0.52 -1.26 -5.00 118.95 113.59 2bpn s ARG 44 Ca 0.22 -0.99 -0.28 0.00 -0.52 0.00 0.00 55.73 54.16 2bpn s ARG 44 Cb 0.21 -2.54 -0.16 0.00 0.52 0.00 0.00 34.95 32.97 2bpn s ARG 44 CO -0.02 -0.71 0.61 1.63 0.02 0.00 0.00 175.30 176.83 2bpn n LYS 45 N -2.28 0.00 -0.12 3.54 5.02 -1.26 -4.81 118.16 118.25 2bpn n LYS 45 Ca 0.09 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.30 2bpn n LYS 45 Cb 0.60 -1.02 -0.01 0.00 -0.02 0.00 0.00 35.03 34.58 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 -0.99 0.38 1.17 0.00 0.00 -1.26 -3.84 105.19 100.65 2bpn n GLY 47 Ca -0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.27 -0.14 -3.12 2.61 -1.04 -1.26 -2.86 114.28 108.19 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 -3.48 3.60 0.00 2.41 0.00 -1.26 -3.69 121.76 119.33 2bpn s ALA 49 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.55 2bpn s ALA 49 Cb 0.00 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 20.12 2bpn s ALA 49 CO 0.00 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.43 2bpn n GLY 50 N 4.09 1.68 0.00 0.00 0.00 -1.26 -5.04 105.19 104.65 2bpn n GLY 50 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 4.32 1.51 -0.21 0.00 3.76 -1.14 -4.58 115.29 118.96 2bpn s HIS 52 Ca 0.00 1.37 0.20 0.00 -0.15 0.00 0.00 55.06 56.48 2bpn s HIS 52 Cb 0.00 -3.70 -0.29 0.00 1.11 0.00 0.00 32.58 29.70 2bpn s HIS 52 CO 0.00 -1.36 0.52 -0.40 -0.85 0.00 0.00 174.74 172.65 2bpn n ASP 53 N 16.71 0.51 -4.66 1.40 5.75 -1.22 -4.17 116.55 130.86 2bpn n ASP 53 Ca 0.43 -0.19 -0.42 0.00 -0.01 0.00 0.00 54.79 54.60 2bpn n ASP 53 Cb 0.46 1.73 -0.03 0.00 -1.03 0.00 0.00 41.12 42.25 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 -4.02 6.53 -0.40 -1.12 0.15 -1.15 -4.89 113.70 108.80 2bpn s SER 54 Ca -0.04 2.52 0.11 0.00 0.70 0.00 0.00 55.95 59.23 2bpn s SER 54 Cb 0.13 -2.54 0.33 0.00 -1.71 0.00 0.00 66.02 62.24 2bpn s SER 54 CO 0.83 -1.00 0.72 0.23 1.20 0.00 0.00 173.24 175.23 2bpn n MET 55 N 7.18 1.17 -4.50 5.44 2.81 -1.26 -0.36 117.12 127.60 2bpn n MET 55 Ca 0.19 -3.52 -0.24 0.00 -1.81 0.00 0.00 57.70 52.32 2bpn n MET 55 Cb 0.41 -1.70 -0.10 0.00 -0.71 0.00 0.00 33.22 31.12 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 -2.37 2.72 -0.95 7.83 2.15 -1.26 -5.09 116.67 119.70 2bpn s ASP 56 Ca 0.40 -1.43 -0.03 0.00 0.43 0.00 0.00 52.55 51.92 2bpn s ASP 56 Cb 0.32 -0.01 0.24 0.00 -0.30 0.00 0.00 42.92 43.17 2bpn s ASP 56 CO -0.09 -0.65 0.88 1.17 -0.17 0.00 0.00 175.17 176.32 2bpn n LYS 57 N -0.79 2.90 0.00 4.34 4.81 -1.26 -4.69 118.16 123.47 2bpn n LYS 57 Ca -0.04 -4.48 0.00 0.00 -0.87 0.00 0.00 58.31 52.92 2bpn n LYS 57 Cb 0.66 -2.45 0.00 0.00 0.02 0.00 0.00 35.03 33.27 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 2.34 0.00 -1.55 1.64 5.02 -1.26 -5.12 118.16 119.23 2bpn n LYS 58 Ca 0.23 0.00 -0.59 0.00 -2.02 0.00 0.00 58.31 55.93 2bpn n LYS 58 Cb 0.37 0.00 -0.08 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 0.53 0.00 4.39 2.03 -1.26 -4.94 116.55 117.29 2bpn n ASP 59 Ca 0.00 1.15 0.00 0.00 0.52 0.00 0.00 54.79 56.46 2bpn n ASP 59 Cb 0.00 -0.98 0.00 0.00 -0.72 0.00 0.00 41.12 39.42 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 2.09 2.12 0.00 -0.67 5.02 -1.26 -4.81 118.16 120.65 2bpn n LYS 60 Ca 0.21 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 2bpn n LYS 60 Cb 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.10 2bpn n LYS 60 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2bpn n SER 61 N 0.00 0.00 0.18 4.39 2.88 -1.26 -3.63 113.62 116.18 2bpn n SER 61 Ca 0.00 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.58 2bpn n SER 61 Cb 0.00 0.00 0.43 0.00 -0.75 0.00 0.00 64.21 63.89 2bpn n SER 61 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2bpn h ALA 62 N 0.00 1.57 0.00 -1.46 0.00 -1.99 -1.13 119.26 116.25 2bpn h ALA 62 Ca 0.00 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2bpn h ALA 62 Cb 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2bpn h ALA 62 CO 0.00 0.32 -0.05 0.87 0.00 0.00 0.00 179.25 180.39 2bpn h LYS 63 N 0.08 0.00 -6.09 0.00 1.57 -1.91 -3.42 116.57 106.78 2bpn h LYS 63 Ca 0.01 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.13 2bpn h LYS 63 Cb 0.41 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 2bpn h LYS 63 CO 0.03 0.05 1.24 0.41 -0.57 0.00 0.00 179.45 180.60 2bpn n GLY 64 N -1.39 0.85 0.08 3.86 0.00 -0.43 -2.96 105.19 105.21 2bpn n GLY 64 Ca -0.03 0.91 -0.12 0.00 0.00 0.00 0.00 46.02 46.78 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 10.69 0.14 0.00 1.61 3.20 -0.96 -2.10 116.97 129.55 2bpn h TYR 65 Ca -0.37 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.47 2bpn h TYR 65 Cb 1.30 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.54 2bpn h TYR 65 CO 0.90 0.37 0.00 0.98 -1.64 0.00 0.00 178.16 178.77 2bpn n TYR 66 N -4.87 0.00 0.84 -3.82 4.19 -1.26 -2.46 117.16 109.79 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 0.18 -0.08 -0.03 0.00 0.49 0.00 0.00 39.34 39.89 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 -1.08 0.04 -0.66 2.98 -0.00 -0.88 -3.54 115.22 112.08 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 0.14 -0.16 0.28 0.00 -0.12 0.00 0.00 29.99 30.13 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 -1.64 1.86 -2.18 3.57 0.24 -0.84 -3.94 118.33 115.39 2bpn n VAL 68 Ca 0.03 -1.38 -0.03 0.00 -2.04 0.00 0.00 64.34 60.92 2bpn n VAL 68 Cb 0.37 0.06 -0.03 0.00 -1.47 0.00 0.00 33.84 32.77 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 0.44 0.00 0.00 7.34 -0.00 -1.24 -4.72 117.12 118.93 2bpn n MET 69 Ca 0.21 -1.31 0.00 0.00 -0.00 0.00 0.00 57.70 56.61 2bpn n MET 69 Cb 0.81 0.28 0.00 0.00 -0.00 0.00 0.00 33.22 34.31 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 0.18 -1.29 -1.37 3.17 -0.00 -1.23 -3.96 115.22 110.72 2bpn n HIS 70 Ca -0.14 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.19 2bpn n HIS 70 Cb 0.85 0.34 0.02 0.00 -0.00 0.00 0.00 29.99 31.20 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 -2.01 -2.24 -0.00 0.41 9.92 -1.25 -3.48 116.55 117.90 2bpn n ASP 71 Ca 0.00 0.71 0.04 0.00 -0.53 0.00 0.00 54.79 55.01 2bpn n ASP 71 Cb 0.00 -1.02 -0.05 0.00 -0.64 0.00 0.00 41.12 39.40 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 0.69 2.48 -1.16 -1.24 2.85 -1.26 -4.44 118.16 116.07 2bpn n LYS 72 Ca 0.10 -0.03 -0.19 0.00 -1.05 0.00 0.00 58.31 57.13 2bpn n LYS 72 Cb 0.47 -1.02 -0.05 0.00 -0.65 0.00 0.00 35.03 33.78 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 -1.46 6.16 -4.62 -5.58 4.13 -1.26 -4.88 115.26 107.75 2bpn n ASN 73 Ca 0.00 -2.98 -0.25 0.00 1.68 0.00 0.00 54.58 53.04 2bpn n ASN 73 Cb 0.17 -1.21 -0.09 0.00 -1.54 0.00 0.00 39.78 37.11 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 -1.50 2.54 0.24 3.41 -4.23 -1.26 -5.03 115.64 109.81 2bpn s THR 74 Ca 0.48 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.93 2bpn s THR 74 Cb 0.31 -2.79 0.22 0.00 1.34 0.00 0.00 72.50 71.58 2bpn s THR 74 CO -0.10 -0.19 1.88 0.50 -0.54 0.00 0.00 174.62 176.17 2bpn h LYS 75 N 1.82 1.28 -6.29 3.99 1.63 -1.98 -3.43 116.57 113.59 2bpn h LYS 75 Ca -0.43 -0.13 -0.58 0.00 -0.85 0.00 0.00 60.65 58.66 2bpn h LYS 75 Cb 1.25 -0.26 -0.11 0.00 -0.60 0.00 0.00 32.23 32.51 2bpn h LYS 75 CO 0.68 0.91 -0.66 -0.06 -3.45 0.00 0.00 179.45 176.86 2bpn s PHE 76 N -5.93 2.75 0.77 1.91 0.08 -1.26 -5.11 117.98 111.18 2bpn s PHE 76 Ca -0.13 -0.19 -0.12 0.00 0.12 0.00 0.00 56.93 56.61 2bpn s PHE 76 Cb 0.17 -1.28 0.06 0.00 -0.57 0.00 0.00 43.02 41.40 2bpn s PHE 76 CO 0.83 0.56 1.12 0.15 -0.10 0.00 0.00 175.22 177.78 2bpn s LYS 77 N -3.28 2.10 0.00 0.44 1.02 -1.26 -4.95 119.74 113.81 2bpn s LYS 77 Ca 0.29 1.39 0.00 0.00 0.02 0.00 0.00 55.97 57.67 2bpn s LYS 77 Cb -0.08 -1.86 0.00 0.00 -0.52 0.00 0.00 37.83 35.37 2bpn s LYS 77 CO 0.19 -1.79 0.00 -1.13 -0.92 0.00 0.00 175.35 171.70 2bpn n SER 78 N -3.29 0.00 -0.09 2.83 3.41 -1.26 -4.90 113.62 110.31 2bpn n SER 78 Ca 0.11 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.59 2bpn n SER 78 Cb 0.52 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.39 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 -0.01 1.61 0.00 0.00 2.07 -1.73 -3.18 116.25 115.01 2bpn h VAL 80 Ca -0.41 -3.29 0.00 0.00 0.82 0.00 0.00 66.70 63.82 2bpn h VAL 80 Cb 1.64 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 34.26 2bpn h VAL 80 CO -0.07 0.93 0.00 0.61 0.02 0.00 0.00 177.57 179.07 2bpn n GLY 81 N 1.41 -2.61 0.31 2.17 0.00 -1.23 0.91 105.19 106.16 2bpn n GLY 81 Ca -0.03 0.09 0.10 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 0.10 0.74 -0.29 0.00 3.86 -1.48 0.03 115.15 118.11 2bpn h HIS 83 Ca 0.51 0.02 -0.13 0.00 -1.16 0.00 0.00 60.37 59.61 2bpn h HIS 83 Cb 1.00 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 29.22 2bpn h HIS 83 CO -0.41 0.42 -0.31 0.28 0.86 0.00 0.00 177.93 178.77 2bpn h VAL 84 N 0.76 1.30 0.00 2.45 2.07 0.94 2.05 116.25 125.82 2bpn h VAL 84 Ca 0.26 -1.49 0.00 0.00 0.82 0.00 0.00 66.70 66.29 2bpn h VAL 84 Cb 0.10 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 2bpn h VAL 84 CO -0.07 0.48 0.00 -0.62 0.02 0.00 0.00 177.57 177.37 2bpn n GLU 85 N -4.24 0.50 -0.00 1.57 -0.58 0.68 -3.51 120.64 115.06 2bpn n GLU 85 Ca -0.04 0.04 -0.04 0.00 -0.42 0.00 0.00 57.16 56.70 2bpn n GLU 85 Cb 0.49 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.85 2bpn n GLU 85 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2bpn n VAL 86 N -1.15 1.23 -1.07 2.62 0.31 -0.11 -4.71 118.33 115.46 2bpn n VAL 86 Ca 0.13 0.26 -0.25 0.00 -0.01 0.00 0.00 64.34 64.47 2bpn n VAL 86 Cb 0.13 -1.83 -0.08 0.00 -0.91 0.00 0.00 33.84 31.15 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 -3.79 6.50 -1.75 3.52 0.00 0.69 -3.94 120.51 121.74 2bpn n ALA 87 Ca -0.07 -2.57 0.05 0.00 0.00 0.00 0.00 53.44 50.86 2bpn n ALA 87 Cb 0.24 -2.90 0.10 0.00 0.00 0.00 0.00 19.45 16.88 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 3.20 3.07 0.03 0.00 0.00 -1.23 -4.50 105.19 105.76 2bpn n GLY 88 Ca 0.58 -0.86 -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 -0.58 1.85 -2.58 4.61 0.00 -1.25 -5.03 120.51 117.53 2bpn n ALA 89 Ca 0.11 -0.40 -0.21 0.00 0.00 0.00 0.00 53.44 52.94 2bpn n ALA 89 Cb 0.78 0.13 -0.12 0.00 0.00 0.00 0.00 19.45 20.24 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 -3.76 2.18 -0.40 0.00 -1.08 -1.26 -5.02 116.67 107.32 2bpn s ASP 90 Ca -0.03 -0.70 0.04 0.00 -0.52 0.00 0.00 52.55 51.34 2bpn s ASP 90 Cb 0.02 -0.10 0.63 0.00 -1.46 0.00 0.00 42.92 42.01 2bpn s ASP 90 CO 0.24 -0.03 1.83 0.00 0.52 0.00 0.00 175.17 177.74 2bpn n ALA 91 N 0.98 5.24 0.01 3.66 0.00 -1.26 -3.91 120.51 125.23 2bpn n ALA 91 Ca -0.19 -2.60 -0.02 0.00 0.00 0.00 0.00 53.44 50.63 2bpn n ALA 91 Cb 0.55 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.60 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 -0.89 2.40 0.29 0.00 0.00 -1.26 -4.65 120.51 116.40 2bpn n ALA 92 Ca 0.53 -0.19 0.16 0.00 0.00 0.00 0.00 53.44 53.93 2bpn n ALA 92 Cb 1.55 0.16 0.88 0.00 0.00 0.00 0.00 19.45 22.04 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 -0.22 0.00 0.00 0.00 3.64 -1.95 -0.47 116.57 117.57 2bpn h LYS 93 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2bpn h LYS 93 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2bpn h LYS 93 CO 0.00 0.05 0.15 1.57 -2.27 0.00 0.00 179.45 178.95 2bpn h LYS 94 N 0.00 0.00 -0.56 1.90 5.09 -1.79 1.66 116.57 122.87 2bpn h LYS 94 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 2bpn h LYS 94 Cb 0.17 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.50 2bpn h LYS 94 CO 0.01 0.00 0.00 1.17 -2.09 0.00 0.00 179.45 178.54 2bpn n LYS 95 N -2.53 3.77 0.00 0.07 3.00 -0.18 -2.53 118.16 119.76 2bpn n LYS 95 Ca -0.02 -2.87 0.00 0.00 -0.00 0.00 0.00 58.31 55.42 2bpn n LYS 95 Cb 0.19 -1.90 0.00 0.00 0.00 0.00 0.00 35.03 33.32 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 0.76 1.28 0.00 3.14 9.92 0.52 -4.16 116.55 128.01 2bpn n ASP 96 Ca 0.24 0.00 -0.18 0.00 -0.53 0.00 0.00 54.79 54.32 2bpn n ASP 96 Cb 0.91 0.00 -0.14 0.00 -0.64 0.00 0.00 41.12 41.25 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 0.30 -1.98 0.64 3.38 -0.40 -2.82 115.31 114.42 2bpn h LEU 97 Ca 0.00 -0.96 0.00 0.00 0.09 0.00 0.00 57.88 57.01 2bpn h LEU 97 Cb 0.50 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2bpn h LEU 97 CO 0.00 1.26 0.00 0.35 0.09 0.00 0.00 178.44 180.14 2bpn n THR 98 N -4.29 0.30 -1.22 0.22 -2.24 -1.20 -4.88 114.28 100.97 2bpn n THR 98 Ca -0.13 -0.65 -0.34 0.00 -2.27 0.00 0.00 64.05 60.66 2bpn n THR 98 Cb 0.70 1.08 0.11 0.00 -2.10 0.00 0.00 70.33 70.12 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 0.89 -0.20 0.13 3.38 0.00 -1.05 -4.90 105.19 103.44 2bpn n GLY 99 Ca 0.11 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.51 2.74 0.00 0.00 2.47 -1.26 -4.51 119.74 116.67 2bpn s LYS 101 Ca -0.35 -0.86 0.00 0.00 -1.56 0.00 0.00 55.97 53.20 2bpn s LYS 101 Cb 0.11 -2.26 0.00 0.00 -1.46 0.00 0.00 37.83 34.22 2bpn s LYS 101 CO 0.57 0.34 0.00 1.17 0.16 0.00 0.00 175.35 177.59 2bpn n LYS 102 N 3.08 0.00 -1.15 4.03 4.81 -0.96 -4.96 118.16 123.02 2bpn n LYS 102 Ca -0.18 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 56.95 2bpn n LYS 102 Cb 0.52 -1.13 0.11 0.00 0.02 0.00 0.00 35.03 34.56 2bpn n LYS 102 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2bpn s SER 103 N -3.29 4.02 0.22 3.14 0.15 -1.15 -4.66 113.70 112.12 2bpn s SER 103 Ca 0.00 2.02 -0.09 0.00 0.70 0.00 0.00 55.95 58.59 2bpn s SER 103 Cb 0.00 -2.55 0.19 0.00 -1.71 0.00 0.00 66.02 61.95 2bpn s SER 103 CO 0.00 -2.37 1.87 0.11 1.20 0.00 0.00 173.24 174.06 2bpn h LYS 104 N -1.15 1.13 0.61 5.44 6.56 -1.84 0.75 116.57 128.08 2bpn h LYS 104 Ca -0.44 -0.09 -0.03 0.00 -1.06 0.00 0.00 60.65 59.02 2bpn h LYS 104 Cb 1.25 -0.24 0.01 0.00 -0.57 0.00 0.00 32.23 32.68 2bpn h LYS 104 CO 0.48 0.79 -0.29 0.00 -2.06 0.00 0.00 179.45 178.36 2bpn n HIS 106 N -5.27 2.72 1.21 0.00 8.25 -1.14 -4.50 115.22 116.49 2bpn n HIS 106 Ca -0.10 -2.68 0.13 0.00 -0.26 0.00 0.00 57.72 54.81 2bpn n HIS 106 Cb 0.32 -1.16 0.28 0.00 1.12 0.00 0.00 29.99 30.56 2bpn n HIS 106 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07