#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t0s s PHE 4 N 0.00 -0.33 0.19 -1.42 5.36 0.24 -4.76 117.98 117.26 1t0s s PHE 4 Ca 0.00 0.79 -0.16 0.00 -0.96 0.00 0.00 56.93 56.60 1t0s s PHE 4 Cb 0.00 0.09 -0.08 0.00 -0.34 0.00 0.00 43.02 42.69 1t0s s PHE 4 CO 0.00 -0.20 0.63 -1.25 -1.46 0.00 0.00 175.22 172.94 1t0s s PRO 5 N 0.75 4.09 0.11 10.12 0.04 -1.26 -1.76 135.00 147.08 1t0s s PRO 5 Ca -0.05 0.65 -0.20 0.00 0.04 0.00 0.00 61.00 61.44 1t0s s PRO 5 Cb -0.06 -2.86 0.05 0.00 0.04 0.00 0.00 34.50 31.66 1t0s s PRO 5 CO -0.05 0.42 0.49 0.96 0.04 0.00 0.00 177.00 178.85 1t0s s ILE 6 N -1.54 0.04 -0.14 0.56 -5.25 -1.08 -1.79 121.20 112.00 1t0s s ILE 6 Ca 0.41 -0.33 -0.06 0.00 -0.99 0.00 0.00 60.65 59.68 1t0s s ILE 6 Cb -0.15 -1.06 -0.04 0.00 2.95 0.00 0.00 42.46 44.16 1t0s s ILE 6 CO 0.20 -0.18 0.07 -0.04 -1.79 0.00 0.00 174.94 173.19 1t0s s MET 7 N -3.36 3.59 -0.29 0.37 -1.94 -0.53 -0.42 119.30 116.72 1t0s s MET 7 Ca -0.00 -0.30 -0.10 0.00 -1.71 0.00 0.00 55.69 53.58 1t0s s MET 7 Cb 0.00 -3.11 -0.03 0.00 2.01 0.00 0.00 34.83 33.71 1t0s s MET 7 CO -0.09 0.52 0.17 0.45 -0.01 0.00 0.00 175.02 176.06 1t0s s SER 8 N -0.33 5.74 -0.85 3.03 0.15 0.34 -0.58 113.70 121.19 1t0s s SER 8 Ca 0.09 -0.24 0.01 0.00 0.70 0.00 0.00 55.95 56.51 1t0s s SER 8 Cb -0.12 -2.06 0.26 0.00 -1.71 0.00 0.00 66.02 62.40 1t0s s SER 8 CO 0.02 -0.11 1.02 -3.20 1.20 0.00 0.00 173.24 172.16 1t0s n ASN 9 N 5.02 4.81 -4.74 5.45 5.15 -0.58 -0.91 115.26 129.47 1t0s n ASN 9 Ca -0.14 -3.37 -0.41 0.00 -0.60 0.00 0.00 54.58 50.06 1t0s n ASN 9 Cb 0.51 -0.97 -0.02 0.00 -0.53 0.00 0.00 39.78 38.77 1t0s n ASN 9 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1t0s s PHE 10 N -2.36 2.87 0.42 1.20 5.36 -1.26 -3.38 117.98 120.82 1t0s s PHE 10 Ca 0.34 0.83 -0.26 0.00 -0.96 0.00 0.00 56.93 56.88 1t0s s PHE 10 Cb 0.07 -3.98 -0.10 0.00 -0.34 0.00 0.00 43.02 38.67 1t0s s PHE 10 CO 0.01 -3.31 1.36 -1.91 -1.46 0.00 0.00 175.22 169.90 1t0s n GLU 11 N 2.43 2.17 -0.77 10.12 2.13 -0.47 -1.62 120.64 134.63 1t0s n GLU 11 Ca 0.08 0.77 0.00 0.00 0.66 0.00 0.00 57.16 58.67 1t0s n GLU 11 Cb 0.38 -2.50 0.00 0.00 0.27 0.00 0.00 31.44 29.59 1t0s n GLU 11 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1t0s n ARG 12 N 0.08 -0.38 -0.18 5.31 1.74 -1.26 -4.97 116.66 116.99 1t0s n ARG 12 Ca 0.05 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 1t0s n ARG 12 Cb 0.40 -3.96 0.00 0.00 -1.02 0.00 0.00 32.46 27.87 1t0s n ARG 12 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1t0s n ASP 13 N -0.19 0.00 0.00 0.55 -0.08 -0.64 -4.87 116.55 111.32 1t0s n ASP 13 Ca 0.00 -0.86 0.00 0.00 -1.51 0.00 0.00 54.79 52.42 1t0s n ASP 13 Cb 0.10 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.56 1t0s n ASP 13 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1t0s n PHE 14 N -1.54 0.00 -3.61 -0.67 1.16 -1.26 -5.04 117.46 106.51 1t0s n PHE 14 Ca 0.00 -0.03 -0.12 0.00 -1.87 0.00 0.00 57.45 55.43 1t0s n PHE 14 Cb 0.00 -0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 37.80 1t0s n PHE 14 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1t0s s VAL 15 N -0.06 0.00 0.40 1.97 0.11 -1.26 -5.16 120.40 116.41 1t0s s VAL 15 Ca 0.00 0.00 -0.23 0.00 -2.93 0.00 0.00 61.98 58.82 1t0s s VAL 15 Cb 0.00 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.76 1t0s s VAL 15 CO 0.00 0.00 1.03 -0.63 -3.33 0.00 0.00 175.10 172.17 1t0s s ILE 16 N -0.17 3.85 0.11 7.04 1.01 -1.26 -4.72 121.20 127.06 1t0s s ILE 16 Ca -0.01 1.36 0.04 0.00 0.00 0.00 0.00 60.65 62.05 1t0s s ILE 16 Cb -0.03 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 1t0s s ILE 16 CO -0.00 -0.04 -0.11 -1.10 0.00 0.00 0.00 174.94 173.69 1t0s s GLN 17 N -2.60 0.92 -0.06 2.79 -0.21 -0.08 -4.89 119.66 115.53 1t0s s GLN 17 Ca 0.59 -1.23 -0.30 0.00 0.02 0.00 0.00 55.36 54.44 1t0s s GLN 17 Cb -0.20 -0.63 -0.03 0.00 1.00 0.00 0.00 33.01 33.16 1t0s s GLN 17 CO 0.25 0.10 1.11 -1.17 -2.12 0.00 0.00 175.29 173.45 1t0s s LEU 18 N -2.57 4.28 -0.08 2.90 2.96 -1.26 0.13 118.68 125.04 1t0s s LEU 18 Ca 0.08 1.71 0.00 0.00 -0.22 0.00 0.00 54.13 55.71 1t0s s LEU 18 Cb -0.02 -3.56 0.02 0.00 0.50 0.00 0.00 46.19 43.13 1t0s s LEU 18 CO 0.01 -0.49 -0.07 -0.69 -1.32 0.00 0.00 176.35 173.79 1t0s s VAL 19 N 1.91 0.85 -0.09 1.68 1.01 0.44 -4.89 120.40 121.31 1t0s s VAL 19 Ca 0.53 -0.23 -0.26 0.00 0.00 0.00 0.00 61.98 62.02 1t0s s VAL 19 Cb -0.22 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.27 1t0s s VAL 19 CO 0.22 0.32 0.83 -2.84 0.00 0.00 0.00 175.10 173.63 1t0s s PRO 20 N 1.34 4.41 0.12 2.72 0.02 -1.26 -2.63 135.00 139.71 1t0s s PRO 20 Ca -0.03 1.08 0.03 0.00 0.02 0.00 0.00 61.00 62.10 1t0s s PRO 20 Cb -0.14 -3.50 -0.04 0.00 0.02 0.00 0.00 34.50 30.84 1t0s s PRO 20 CO -0.03 -0.14 -0.08 0.14 -0.33 0.00 0.00 177.00 176.56 1t0s s VAL 21 N 1.44 0.91 0.21 3.83 -7.23 -0.72 -4.97 120.40 113.87 1t0s s VAL 21 Ca 0.42 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.53 1t0s s VAL 21 Cb -0.18 -1.77 -0.06 0.00 0.56 0.00 0.00 36.38 34.93 1t0s s VAL 21 CO 0.18 -0.81 0.48 -0.62 -0.31 0.00 0.00 175.10 174.02 1t0s s ASP 22 N -3.10 6.52 0.00 4.85 2.15 -1.26 0.83 116.67 126.66 1t0s s ASP 22 Ca 0.14 0.72 0.00 0.00 0.43 0.00 0.00 52.55 53.85 1t0s s ASP 22 Cb 0.04 -2.15 0.00 0.00 -0.30 0.00 0.00 42.92 40.52 1t0s s ASP 22 CO -0.02 -0.06 0.37 0.35 -0.17 0.00 0.00 175.17 175.64 1t0s n THR 23 N -0.28 0.00 0.00 1.71 -2.24 -1.26 -2.35 114.28 109.85 1t0s n THR 23 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1t0s n THR 23 Cb 0.53 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 1t0s n THR 23 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1t0s n GLU 24 N -0.22 3.56 -1.70 -0.78 -0.58 -1.26 -2.34 120.64 117.32 1t0s n GLU 24 Ca 0.00 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.36 1t0s n GLU 24 Cb 0.04 -0.48 0.05 0.00 -0.57 0.00 0.00 31.44 30.47 1t0s n GLU 24 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1t0s n ASP 25 N -0.72 2.05 -4.88 1.62 8.00 -0.99 -4.56 116.55 117.08 1t0s n ASP 25 Ca 0.00 0.92 -0.30 0.00 0.71 0.00 0.00 54.79 56.11 1t0s n ASP 25 Cb 0.00 -1.52 -0.04 0.00 -0.02 0.00 0.00 41.12 39.55 1t0s n ASP 25 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1t0s s THR 26 N -1.35 4.86 0.41 -3.53 -4.23 -1.26 -1.45 115.64 109.08 1t0s s THR 26 Ca 0.74 0.49 0.24 0.00 -1.18 0.00 0.00 61.69 61.98 1t0s s THR 26 Cb -0.42 -3.70 0.43 0.00 1.34 0.00 0.00 72.50 70.15 1t0s s THR 26 CO 0.48 -0.36 1.67 0.24 -0.54 0.00 0.00 174.62 176.11 1t0s h MET 27 N 1.68 0.20 -0.69 3.99 2.86 -1.21 1.16 114.93 122.93 1t0s h MET 27 Ca -0.47 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.17 1t0s h MET 27 Cb 1.18 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.76 1t0s h MET 27 CO 0.65 0.14 0.46 -0.44 1.06 0.00 0.00 176.91 178.77 1t0s h ASP 28 N 0.21 0.76 0.33 1.22 3.32 -1.83 0.18 116.42 120.61 1t0s h ASP 28 Ca 0.74 -0.02 -0.26 0.00 0.02 0.00 0.00 57.03 57.52 1t0s h ASP 28 Cb 2.10 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 41.48 1t0s h ASP 28 CO -0.43 0.54 -1.10 1.56 -1.72 0.00 0.00 179.24 178.09 1t0s h GLN 29 N 0.89 0.46 0.70 3.56 4.20 0.10 -2.28 115.11 122.73 1t0s h GLN 29 Ca 0.26 -0.58 -0.03 0.00 0.06 0.00 0.00 58.65 58.36 1t0s h GLN 29 Cb -0.03 0.18 0.01 0.00 0.30 0.00 0.00 27.48 27.94 1t0s h GLN 29 CO -0.06 1.22 -0.33 0.28 -0.67 0.00 0.00 178.83 179.26 1t0s h VAL 30 N 0.22 0.31 -0.85 -0.54 2.07 -0.48 -0.07 116.25 116.91 1t0s h VAL 30 Ca -0.13 -0.01 0.18 0.00 0.82 0.00 0.00 66.70 67.56 1t0s h VAL 30 Cb 1.77 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.80 1t0s h VAL 30 CO 0.20 0.00 0.56 0.00 0.02 0.00 0.00 177.57 178.35 1t0s h ALA 31 N -0.63 2.15 -0.30 1.67 0.00 -0.74 0.14 119.26 121.54 1t0s h ALA 31 Ca -0.10 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1t0s h ALA 31 Cb 0.72 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1t0s h ALA 31 CO 0.16 -0.40 0.06 1.49 0.00 0.00 0.00 179.25 180.56 1t0s h GLU 32 N 0.43 0.49 -0.46 0.00 4.81 -0.75 0.29 114.58 119.38 1t0s h GLU 32 Ca 0.43 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.49 1t0s h GLU 32 Cb 1.02 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.32 1t0s h GLU 32 CO -0.16 0.57 0.11 0.87 -0.73 0.00 0.00 179.01 179.67 1t0s h LYS 33 N 0.32 0.75 -0.55 1.92 1.57 0.98 -2.70 116.57 118.87 1t0s h LYS 33 Ca 0.09 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 1t0s h LYS 33 Cb 0.31 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 1t0s h LYS 33 CO 0.00 0.74 0.15 0.00 -0.57 0.00 0.00 179.45 179.77 1t0s h ALA 35 N 1.02 2.01 -0.27 0.00 0.00 -0.24 0.15 119.26 121.93 1t0s h ALA 35 Ca 0.17 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1t0s h ALA 35 Cb 0.32 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1t0s h ALA 35 CO -0.00 -0.31 -0.11 -0.92 0.00 0.00 0.00 179.25 177.90 1t0s h TYR 36 N 0.00 0.47 -0.49 0.00 3.20 -1.07 0.79 116.97 119.88 1t0s h TYR 36 Ca 0.11 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1t0s h TYR 36 Cb 0.50 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.64 1t0s h TYR 36 CO 0.00 0.55 0.00 0.72 -1.64 0.00 0.00 178.16 177.79 1t0s n HIS 37 N -4.22 1.17 0.07 -3.82 8.25 0.48 -4.59 115.22 112.57 1t0s n HIS 37 Ca 0.00 -0.46 0.00 0.00 -0.26 0.00 0.00 57.72 57.00 1t0s n HIS 37 Cb 0.30 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.20 1t0s n HIS 37 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1t0s n SER 38 N 0.78 -0.32 -4.75 0.41 7.64 -0.79 -4.98 113.62 111.60 1t0s n SER 38 Ca 0.20 0.26 -0.41 0.00 1.01 0.00 0.00 58.87 59.92 1t0s n SER 38 Cb 0.73 0.43 -0.02 0.00 -1.01 0.00 0.00 64.21 64.34 1t0s n SER 38 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1t0s s ILE 39 N -2.00 2.63 0.00 0.44 -1.09 0.27 -2.23 121.20 119.21 1t0s s ILE 39 Ca 0.00 0.56 0.00 0.00 -2.23 0.00 0.00 60.65 58.98 1t0s s ILE 39 Cb 0.00 -3.36 0.00 0.00 -1.58 0.00 0.00 42.46 37.52 1t0s s ILE 39 CO 0.00 0.11 0.00 0.59 -1.23 0.00 0.00 174.94 174.41 1t0s n ASN 40 N 1.73 -3.54 -0.05 3.58 3.02 -0.53 -4.75 115.26 114.74 1t0s n ASN 40 Ca 0.04 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.50 1t0s n ASN 40 Cb 0.41 -1.96 -0.03 0.00 -0.61 0.00 0.00 39.78 37.59 1t0s n ASN 40 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1t0s n ARG 41 N -1.09 0.29 -0.89 3.52 1.74 -1.00 -4.87 116.66 114.36 1t0s n ARG 41 Ca 0.00 0.12 -0.00 0.00 -0.77 0.00 0.00 57.85 57.20 1t0s n ARG 41 Cb 0.21 -1.01 -0.01 0.00 -1.02 0.00 0.00 32.46 30.63 1t0s n ARG 41 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1t0s n ARG 42 N -3.86 0.00 -3.72 5.56 1.85 -0.95 -5.08 116.66 110.46 1t0s n ARG 42 Ca -0.17 -1.07 -0.12 0.00 -1.00 0.00 0.00 57.85 55.49 1t0s n ARG 42 Cb 0.46 -0.03 -0.13 0.00 -1.05 0.00 0.00 32.46 31.71 1t0s n ARG 42 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1t0s s VAL 43 N 0.00 -0.09 0.03 8.89 1.01 -1.17 -4.77 120.40 124.30 1t0s s VAL 43 Ca 0.10 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.94 1t0s s VAL 43 Cb 0.11 -0.40 -0.05 0.00 0.00 0.00 0.00 36.38 36.04 1t0s s VAL 43 CO -0.05 0.07 1.18 -1.00 0.00 0.00 0.00 175.10 175.30 1t0s s HIS 44 N 1.42 3.40 1.11 5.22 3.76 -1.26 -1.45 115.29 127.49 1t0s s HIS 44 Ca -0.08 1.31 -0.12 0.00 -0.15 0.00 0.00 55.06 56.02 1t0s s HIS 44 Cb -0.11 -3.40 0.25 0.00 1.11 0.00 0.00 32.58 30.44 1t0s s HIS 44 CO -0.09 -1.20 1.05 -2.14 -0.85 0.00 0.00 174.74 171.51 1t0s s PRO 45 N 1.30 -0.46 -0.45 8.40 0.02 -1.26 -4.95 135.00 137.59 1t0s s PRO 45 Ca 0.58 0.90 0.07 0.00 0.02 0.00 0.00 61.00 62.57 1t0s s PRO 45 Cb -0.28 -1.60 0.24 0.00 0.02 0.00 0.00 34.50 32.88 1t0s s PRO 45 CO 0.28 -3.44 0.74 1.04 -0.33 0.00 0.00 177.00 175.29 1t0s n GLN 46 N -4.72 0.74 -0.22 5.54 6.02 -1.26 -4.99 117.38 118.49 1t0s n GLN 46 Ca 0.05 -2.32 0.14 0.00 -0.01 0.00 0.00 57.00 54.85 1t0s n GLN 46 Cb 0.54 -1.37 0.44 0.00 1.02 0.00 0.00 30.24 30.87 1t0s n GLN 46 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1t0s h PRO 47 N 4.04 0.54 -1.00 -1.09 0.11 -2.02 0.24 132.00 132.82 1t0s h PRO 47 Ca -0.06 -0.03 0.18 0.00 0.11 0.00 0.00 66.00 66.20 1t0s h PRO 47 Cb 0.97 -0.12 -0.10 0.00 0.11 0.00 0.00 31.00 31.86 1t0s h PRO 47 CO 0.37 0.36 0.62 1.49 -0.21 0.00 0.00 178.00 180.62 1t0s h GLU 48 N 0.55 0.74 -6.29 1.05 4.22 -1.99 -3.41 114.58 109.44 1t0s h GLU 48 Ca 0.41 -0.04 -0.46 0.00 0.08 0.00 0.00 59.36 59.35 1t0s h GLU 48 Cb 0.80 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1t0s h GLU 48 CO -0.16 0.49 -0.36 0.15 -2.18 0.00 0.00 179.01 176.94 1t0s s LYS 49 N -5.82 2.87 0.01 1.92 1.02 0.07 -5.04 119.74 114.77 1t0s s LYS 49 Ca -0.11 -1.21 0.04 0.00 0.02 0.00 0.00 55.97 54.71 1t0s s LYS 49 Cb 0.24 -2.65 -0.03 0.00 -0.52 0.00 0.00 37.83 34.87 1t0s s LYS 49 CO 0.80 -0.03 -0.11 0.42 -0.92 0.00 0.00 175.35 175.51 1t0s s ILE 50 N -2.29 3.32 0.03 2.17 1.09 -0.90 -4.88 121.20 119.74 1t0s s ILE 50 Ca 0.46 -0.90 -0.20 0.00 -1.10 0.00 0.00 60.65 58.91 1t0s s ILE 50 Cb -0.08 -2.42 -0.06 0.00 -1.06 0.00 0.00 42.46 38.84 1t0s s ILE 50 CO 0.30 0.39 0.58 -0.76 -0.10 0.00 0.00 174.94 175.35 1t0s s LEU 51 N -1.37 4.47 0.20 2.97 1.43 -1.26 -0.27 118.68 124.85 1t0s s LEU 51 Ca 0.16 1.21 0.08 0.00 -1.03 0.00 0.00 54.13 54.54 1t0s s LEU 51 Cb -0.11 -2.91 -0.05 0.00 0.03 0.00 0.00 46.19 43.16 1t0s s LEU 51 CO 0.06 0.18 -0.15 -0.13 0.23 0.00 0.00 176.35 176.54 1t0s s ARG 52 N -0.62 1.34 -0.14 1.70 1.81 -0.25 -4.84 118.95 117.94 1t0s s ARG 52 Ca 0.30 -1.57 -0.00 0.00 -1.72 0.00 0.00 55.73 52.74 1t0s s ARG 52 Cb -0.19 -1.18 0.03 0.00 -0.45 0.00 0.00 34.95 33.16 1t0s s ARG 52 CO 0.18 0.21 -0.08 0.08 -0.68 0.00 0.00 175.30 175.01 1t0s s VAL 53 N -2.80 1.19 0.15 3.52 1.01 -1.26 -1.24 120.40 120.96 1t0s s VAL 53 Ca 0.22 -0.52 0.10 0.00 0.00 0.00 0.00 61.98 61.78 1t0s s VAL 53 Cb -0.02 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1t0s s VAL 53 CO 0.07 0.28 -0.24 0.00 0.00 0.00 0.00 175.10 175.22 1t0s s ARG 54 N 1.62 1.36 0.26 2.72 1.70 -0.16 -2.16 118.95 124.29 1t0s s ARG 54 Ca 0.03 -1.36 -0.30 0.00 -0.47 0.00 0.00 55.73 53.63 1t0s s ARG 54 Cb -0.14 -1.71 -0.10 0.00 -0.57 0.00 0.00 34.95 32.44 1t0s s ARG 54 CO -0.08 0.39 1.37 0.50 -1.08 0.00 0.00 175.30 176.39 1t0s s ARG 55 N -2.28 4.33 0.12 3.89 3.52 0.12 0.22 118.95 128.87 1t0s s ARG 55 Ca 0.14 2.20 -0.04 0.00 -0.13 0.00 0.00 55.73 57.91 1t0s s ARG 55 Cb -0.09 -3.12 -0.11 0.00 -1.56 0.00 0.00 34.95 30.06 1t0s s ARG 55 CO 0.07 -0.31 1.29 1.25 -0.81 0.00 0.00 175.30 176.79 1t0s h HIS 56 N 4.71 0.57 -0.33 5.12 -0.00 -1.83 -0.23 115.15 123.17 1t0s h HIS 56 Ca -0.46 -0.33 0.04 0.00 -0.00 0.00 0.00 60.37 59.62 1t0s h HIS 56 Cb 1.22 -0.06 -0.04 0.00 -0.00 0.00 0.00 27.41 28.53 1t0s h HIS 56 CO 0.60 1.16 0.11 1.49 -0.00 0.00 0.00 177.93 181.28 1t0s h GLU 57 N 0.20 0.24 0.00 5.26 4.81 -1.92 -3.29 114.58 119.88 1t0s h GLU 57 Ca -0.08 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1t0s h GLU 57 Cb 1.62 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.95 1t0s h GLU 57 CO 0.17 0.16 -0.55 -0.40 -0.73 0.00 0.00 179.01 177.66 1t0s n ASP 58 N -5.03 0.79 0.00 1.04 5.68 -1.26 -5.01 116.55 112.77 1t0s n ASP 58 Ca 0.01 -0.59 0.00 0.00 -0.50 0.00 0.00 54.79 53.70 1t0s n ASP 58 Cb 0.12 1.06 0.00 0.00 -1.14 0.00 0.00 41.12 41.16 1t0s n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1t0s n GLY 59 N 1.32 0.48 3.64 6.12 0.00 -0.11 -5.01 105.19 111.64 1t0s n GLY 59 Ca 0.01 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 1t0s n GLY 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t0s s THR 60 N -2.00 3.95 0.07 2.61 2.01 -1.15 -4.78 115.64 116.35 1t0s s THR 60 Ca 0.00 1.09 -0.30 0.00 0.31 0.00 0.00 61.69 62.79 1t0s s THR 60 Cb 0.00 -3.89 -0.05 0.00 0.01 0.00 0.00 72.50 68.56 1t0s s THR 60 CO 0.00 -0.31 1.09 -0.22 -0.69 0.00 0.00 174.62 174.49 1t0s s LEU 61 N 4.50 4.41 -0.07 4.42 2.96 -1.26 -0.70 118.68 132.94 1t0s s LEU 61 Ca 0.63 1.90 -0.04 0.00 -0.22 0.00 0.00 54.13 56.41 1t0s s LEU 61 Cb -0.22 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.85 1t0s s LEU 61 CO 0.24 -0.32 0.10 -0.36 -1.32 0.00 0.00 176.35 174.70 1t0s s PHE 62 N 0.68 3.42 1.02 5.38 0.08 -0.92 -4.96 117.98 122.69 1t0s s PHE 62 Ca 0.54 0.36 -0.14 0.00 0.12 0.00 0.00 56.93 57.80 1t0s s PHE 62 Cb -0.26 -1.84 0.08 0.00 -0.57 0.00 0.00 43.02 40.43 1t0s s PHE 62 CO 0.30 0.62 0.36 -2.30 -0.10 0.00 0.00 175.22 174.10 1t0s n PRO 63 N 1.68 -0.87 0.09 0.24 -0.02 -1.26 -4.46 135.00 130.40 1t0s n PRO 63 Ca -0.17 -0.22 -0.07 0.00 -2.02 0.00 0.00 63.50 61.02 1t0s n PRO 63 Cb 0.54 -1.86 -0.00 0.00 -0.02 0.00 0.00 33.50 32.16 1t0s n PRO 63 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t0s h ARG 64 N -1.82 0.12 -0.35 -0.52 3.08 -1.97 -3.27 114.38 109.65 1t0s h ARG 64 Ca -0.48 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.44 1t0s h ARG 64 Cb 1.31 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.40 1t0s h ARG 64 CO 0.37 0.91 0.00 0.41 -1.07 0.00 0.00 179.97 180.58 1t0s n GLY 65 N 0.87 1.47 3.72 0.04 0.00 -1.26 -2.94 105.19 107.10 1t0s n GLY 65 Ca -0.02 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 1t0s n GLY 65 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1t0s s MET 66 N -1.55 4.51 0.02 1.61 0.00 -1.23 -4.81 119.30 117.85 1t0s s MET 66 Ca 0.38 1.74 -0.11 0.00 0.00 0.00 0.00 55.69 57.70 1t0s s MET 66 Cb 0.22 -3.32 -0.05 0.00 0.00 0.00 0.00 34.83 31.68 1t0s s MET 66 CO 0.31 -0.10 0.35 0.96 0.00 0.00 0.00 175.02 176.53 1t0s s ILE 67 N 0.45 5.16 0.40 10.11 -4.36 -1.26 -1.30 121.20 130.40 1t0s s ILE 67 Ca 0.54 0.51 0.29 0.00 -0.26 0.00 0.00 60.65 61.72 1t0s s ILE 67 Cb -0.29 -3.63 0.45 0.00 1.25 0.00 0.00 42.46 40.24 1t0s s ILE 67 CO 0.32 0.44 1.47 0.52 0.24 0.00 0.00 174.94 177.93 1t0s n VAL 68 N 1.38 -0.27 0.30 8.37 0.31 -0.53 0.63 118.33 128.52 1t0s n VAL 68 Ca -0.12 1.74 0.19 0.00 -0.01 0.00 0.00 64.34 66.14 1t0s n VAL 68 Cb 0.53 -2.84 0.89 0.00 -0.91 0.00 0.00 33.84 31.50 1t0s n VAL 68 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1t0s h SER 69 N 0.00 0.00 0.00 4.52 0.87 -1.76 -3.18 113.55 114.00 1t0s h SER 69 Ca 0.82 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 61.07 1t0s h SER 69 Cb 2.58 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 64.47 1t0s h SER 69 CO -0.49 0.02 -2.33 0.47 -0.53 0.00 0.00 176.83 173.96 1t0s n ASP 70 N -3.15 0.03 0.00 6.23 8.00 0.21 -4.25 116.55 123.61 1t0s n ASP 70 Ca -0.01 0.00 0.04 0.00 0.71 0.00 0.00 54.79 55.53 1t0s n ASP 70 Cb 0.21 1.13 0.26 0.00 -0.02 0.00 0.00 41.12 42.70 1t0s n ASP 70 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1t0s n ALA 71 N -2.68 1.83 -0.38 2.24 0.00 -1.16 -4.87 120.51 115.49 1t0s n ALA 71 Ca -0.29 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1t0s n ALA 71 Cb 1.08 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 19.39 1t0s n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t0s n GLY 72 N -0.44 1.48 1.64 0.00 0.00 -1.26 -4.92 105.19 101.70 1t0s n GLY 72 Ca 0.07 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.33 1t0s n GLY 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1t0s n LEU 73 N 0.00 -3.31 -4.86 0.99 4.77 -1.26 -4.91 117.00 108.42 1t0s n LEU 73 Ca 0.00 3.08 -0.37 0.00 -0.03 0.00 0.00 56.01 58.68 1t0s n LEU 73 Cb 0.00 -2.98 -0.06 0.00 -2.33 0.00 0.00 43.42 38.05 1t0s n LEU 73 CO 0.00 0.17 -0.05 -0.13 -1.33 0.00 0.00 177.39 176.05 1t0s s ARG 74 N -3.37 3.67 0.23 3.23 0.52 -1.26 -5.00 118.95 116.96 1t0s s ARG 74 Ca 0.00 0.11 -0.31 0.00 -0.52 0.00 0.00 55.73 55.01 1t0s s ARG 74 Cb 0.00 -3.21 -0.14 0.00 0.52 0.00 0.00 34.95 32.12 1t0s s ARG 74 CO 0.00 0.73 1.35 -0.35 0.02 0.00 0.00 175.30 177.05 1t0s n PRO 75 N 1.94 1.84 -0.05 3.54 -0.04 -1.26 0.24 135.00 141.22 1t0s n PRO 75 Ca -0.17 0.66 0.00 0.00 -0.04 0.00 0.00 63.50 63.94 1t0s n PRO 75 Cb 0.54 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.72 1t0s n PRO 75 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1t0s n THR 76 N 1.77 0.00 -1.49 0.52 -1.04 -0.74 -5.01 114.28 108.29 1t0s n THR 76 Ca 0.12 0.00 -0.55 0.00 -2.04 0.00 0.00 64.05 61.58 1t0s n THR 76 Cb 0.30 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.75 1t0s n THR 76 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1t0s n GLU 77 N -2.00 0.20 -3.10 -2.82 4.07 0.14 -3.80 120.64 113.33 1t0s n GLU 77 Ca 0.00 0.07 -0.38 0.00 -0.06 0.00 0.00 57.16 56.79 1t0s n GLU 77 Cb 0.00 -1.46 -0.06 0.00 -0.06 0.00 0.00 31.44 29.86 1t0s n GLU 77 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1t0s s THR 78 N -0.22 4.53 0.01 6.31 2.01 -1.26 -1.46 115.64 125.56 1t0s s THR 78 Ca 0.82 1.43 0.02 0.00 0.31 0.00 0.00 61.69 64.27 1t0s s THR 78 Cb -1.13 -3.98 -0.01 0.00 0.01 0.00 0.00 72.50 67.40 1t0s s THR 78 CO 0.56 0.41 -0.05 -0.76 -0.69 0.00 0.00 174.62 174.09 1t0s s LEU 79 N -1.45 2.06 -0.10 4.42 1.43 0.25 -2.52 118.68 122.77 1t0s s LEU 79 Ca 0.37 -0.18 -0.10 0.00 -1.03 0.00 0.00 54.13 53.19 1t0s s LEU 79 Cb -0.20 -0.22 -0.05 0.00 0.03 0.00 0.00 46.19 45.75 1t0s s LEU 79 CO 0.23 0.00 0.23 -1.81 0.23 0.00 0.00 176.35 175.23 1t0s s ASP 80 N -0.40 6.49 -0.24 2.29 1.01 0.13 -1.52 116.67 124.43 1t0s s ASP 80 Ca -0.01 0.58 0.01 0.00 0.71 0.00 0.00 52.55 53.85 1t0s s ASP 80 Cb -0.03 -2.14 0.04 0.00 1.01 0.00 0.00 42.92 41.80 1t0s s ASP 80 CO -0.00 0.31 -0.11 -0.63 0.21 0.00 0.00 175.17 174.95 1t0s s ILE 81 N -0.64 2.32 0.25 0.77 1.09 -1.22 -0.99 121.20 122.79 1t0s s ILE 81 Ca 0.17 -1.36 0.10 0.00 -1.10 0.00 0.00 60.65 58.46 1t0s s ILE 81 Cb -0.13 -2.25 -0.05 0.00 -1.06 0.00 0.00 42.46 38.97 1t0s s ILE 81 CO 0.06 0.13 -0.18 0.27 -0.10 0.00 0.00 174.94 175.12 1t0s s ILE 82 N 1.19 2.20 -0.09 2.92 -4.36 -0.38 -1.37 121.20 121.32 1t0s s ILE 82 Ca -0.04 -2.33 -0.25 0.00 -0.26 0.00 0.00 60.65 57.77 1t0s s ILE 82 Cb -0.18 -2.20 -0.03 0.00 1.25 0.00 0.00 42.46 41.30 1t0s s ILE 82 CO -0.06 -0.47 0.77 -0.36 0.24 0.00 0.00 174.94 175.05 1t0s s PHE 83 N -2.69 3.54 0.00 1.37 0.08 -1.26 -1.09 117.98 117.93 1t0s s PHE 83 Ca 0.27 1.30 0.00 0.00 0.12 0.00 0.00 56.93 58.62 1t0s s PHE 83 Cb -0.03 -2.90 0.00 0.00 -0.57 0.00 0.00 43.02 39.52 1t0s s PHE 83 CO 0.12 -0.01 0.00 -1.33 -0.10 0.00 0.00 175.22 173.90 1t0s n MET 84 N 4.19 0.00 0.00 0.44 2.81 0.63 -4.96 117.12 120.22 1t0s n MET 84 Ca 0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 1t0s n MET 84 Cb 0.51 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.02 1t0s n MET 84 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23