#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t0r s THR 3 N 0.00 3.74 -0.02 0.00 -4.23 -1.26 -0.16 115.64 113.70 1t0r s THR 3 Ca 0.00 1.12 -0.00 0.00 -1.18 0.00 0.00 61.69 61.63 1t0r s THR 3 Cb 0.00 -3.48 0.03 0.00 1.34 0.00 0.00 72.50 70.39 1t0r s THR 3 CO 0.00 -0.19 0.04 0.12 -0.54 0.00 0.00 174.62 174.05 1t0r s PHE 4 N -1.91 0.00 0.18 3.99 5.36 0.08 -4.78 117.98 120.89 1t0r s PHE 4 Ca 0.66 0.16 -0.15 0.00 -0.96 0.00 0.00 56.93 56.63 1t0r s PHE 4 Cb -0.18 -0.19 -0.07 0.00 -0.34 0.00 0.00 43.02 42.24 1t0r s PHE 4 CO 0.22 -0.09 0.60 -1.25 -1.46 0.00 0.00 175.22 173.24 1t0r s PRO 5 N 0.94 4.03 0.08 10.12 0.04 -1.26 -0.78 135.00 148.18 1t0r s PRO 5 Ca -0.08 0.57 -0.12 0.00 0.04 0.00 0.00 61.00 61.42 1t0r s PRO 5 Cb -0.11 -2.87 0.01 0.00 0.04 0.00 0.00 34.50 31.57 1t0r s PRO 5 CO -0.03 0.43 0.27 0.96 0.04 0.00 0.00 177.00 178.67 1t0r s ILE 6 N -1.53 0.11 -0.23 0.56 -5.25 -1.17 0.71 121.20 114.39 1t0r s ILE 6 Ca 0.41 -0.90 -0.07 0.00 -0.99 0.00 0.00 60.65 59.09 1t0r s ILE 6 Cb -0.15 -1.17 -0.03 0.00 2.95 0.00 0.00 42.46 44.06 1t0r s ILE 6 CO 0.20 -0.50 0.07 -0.04 -1.79 0.00 0.00 174.94 172.88 1t0r s MET 7 N -3.44 3.74 -0.32 0.37 -1.94 0.10 -1.41 119.30 116.40 1t0r s MET 7 Ca 0.01 -0.44 -0.19 0.00 -1.71 0.00 0.00 55.69 53.36 1t0r s MET 7 Cb 0.02 -3.31 -0.01 0.00 2.01 0.00 0.00 34.83 33.55 1t0r s MET 7 CO -0.09 -0.08 0.58 0.45 -0.01 0.00 0.00 175.02 175.87 1t0r s SER 8 N 1.33 6.42 -0.97 3.03 0.15 0.13 -0.19 113.70 123.61 1t0r s SER 8 Ca 0.05 0.27 -0.04 0.00 0.70 0.00 0.00 55.95 56.94 1t0r s SER 8 Cb -0.15 -2.31 0.25 0.00 -1.71 0.00 0.00 66.02 62.11 1t0r s SER 8 CO 0.04 -0.47 0.96 -3.20 1.20 0.00 0.00 173.24 171.77 1t0r n ASN 9 N 5.82 4.81 -4.77 5.45 5.15 -0.43 -1.17 115.26 130.12 1t0r n ASN 9 Ca -0.03 -3.16 -0.41 0.00 -0.60 0.00 0.00 54.58 50.39 1t0r n ASN 9 Cb 0.49 -1.15 -0.02 0.00 -0.53 0.00 0.00 39.78 38.58 1t0r n ASN 9 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 1t0r s PHE 10 N -1.59 2.92 0.24 1.20 5.36 -1.26 -2.72 117.98 122.13 1t0r s PHE 10 Ca 0.30 1.30 -0.30 0.00 -0.96 0.00 0.00 56.93 57.27 1t0r s PHE 10 Cb -0.05 -3.79 -0.09 0.00 -0.34 0.00 0.00 43.02 38.74 1t0r s PHE 10 CO -0.08 -2.27 1.29 -2.00 -1.46 0.00 0.00 175.22 170.70 1t0r s GLU 11 N -1.71 4.40 0.00 10.12 2.12 -0.66 -2.56 118.70 130.41 1t0r s GLU 11 Ca 0.51 2.08 0.00 0.00 0.36 0.00 0.00 54.97 57.92 1t0r s GLU 11 Cb -0.42 -3.16 0.00 0.00 0.26 0.00 0.00 34.13 30.81 1t0r s GLU 11 CO 0.55 -0.19 0.00 0.54 -0.54 0.00 0.00 175.26 175.61 1t0r n ARG 12 N 2.02 0.00 -2.53 4.30 1.74 -1.26 -5.01 116.66 115.91 1t0r n ARG 12 Ca 0.04 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.89 1t0r n ARG 12 Cb 0.43 -2.20 0.04 0.00 -1.02 0.00 0.00 32.46 29.71 1t0r n ARG 12 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1t0r s ASP 13 N -3.34 5.19 0.00 0.55 -1.08 -1.06 -4.88 116.67 112.04 1t0r s ASP 13 Ca 0.00 0.15 0.19 0.00 -0.52 0.00 0.00 52.55 52.36 1t0r s ASP 13 Cb 0.00 -0.99 0.10 0.00 -1.46 0.00 0.00 42.92 40.57 1t0r s ASP 13 CO 0.00 -1.24 1.04 2.22 0.52 0.00 0.00 175.17 177.71 1t0r n PHE 14 N -2.49 0.00 -3.79 -5.34 1.16 -1.26 -4.93 117.46 100.81 1t0r n PHE 14 Ca 0.08 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.54 1t0r n PHE 14 Cb 0.60 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.38 1t0r n PHE 14 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1t0r s VAL 15 N -1.74 0.08 0.20 1.97 0.11 -1.26 -5.14 120.40 114.61 1t0r s VAL 15 Ca 0.20 -0.65 -0.23 0.00 -2.93 0.00 0.00 61.98 58.37 1t0r s VAL 15 Cb 0.15 -0.75 -0.08 0.00 -1.53 0.00 0.00 36.38 34.17 1t0r s VAL 15 CO 0.31 -0.36 0.77 -0.63 -3.33 0.00 0.00 175.10 171.86 1t0r s ILE 16 N -1.95 4.45 0.08 7.04 -1.09 -1.26 -4.44 121.20 124.02 1t0r s ILE 16 Ca -0.09 1.53 0.04 0.00 -2.23 0.00 0.00 60.65 59.90 1t0r s ILE 16 Cb -0.03 -4.00 -0.03 0.00 -1.58 0.00 0.00 42.46 36.81 1t0r s ILE 16 CO 0.00 0.36 -0.12 -1.10 -1.23 0.00 0.00 174.94 172.85 1t0r s GLN 17 N -1.58 0.79 0.04 2.79 -0.21 -0.32 -4.91 119.66 116.27 1t0r s GLN 17 Ca 0.40 -1.01 -0.30 0.00 0.02 0.00 0.00 55.36 54.47 1t0r s GLN 17 Cb -0.20 -0.64 -0.05 0.00 1.00 0.00 0.00 33.01 33.12 1t0r s GLN 17 CO 0.24 0.12 1.16 -1.17 -2.12 0.00 0.00 175.29 173.52 1t0r s LEU 18 N -2.00 4.36 -0.21 2.90 2.96 -1.26 0.21 118.68 125.63 1t0r s LEU 18 Ca -0.00 1.93 -0.04 0.00 -0.22 0.00 0.00 54.13 55.80 1t0r s LEU 18 Cb -0.07 -3.58 0.08 0.00 0.50 0.00 0.00 46.19 43.13 1t0r s LEU 18 CO 0.01 -0.44 0.15 -0.69 -1.32 0.00 0.00 176.35 174.07 1t0r s VAL 19 N 1.15 -0.18 0.17 1.68 1.01 -0.50 -4.89 120.40 118.84 1t0r s VAL 19 Ca 0.57 -0.30 -0.30 0.00 0.00 0.00 0.00 61.98 61.95 1t0r s VAL 19 Cb -0.27 -0.72 -0.08 0.00 0.00 0.00 0.00 36.38 35.31 1t0r s VAL 19 CO 0.28 -0.37 1.15 -2.16 0.00 0.00 0.00 175.10 174.01 1t0r s PRO 20 N 2.20 4.53 0.27 2.72 0.04 -1.26 -3.03 135.00 140.47 1t0r s PRO 20 Ca 0.05 1.79 0.01 0.00 0.04 0.00 0.00 61.00 62.89 1t0r s PRO 20 Cb -0.16 -3.27 -0.00 0.00 0.04 0.00 0.00 34.50 31.11 1t0r s PRO 20 CO -0.18 -0.02 0.03 1.33 0.04 0.00 0.00 177.00 178.20 1t0r n VAL 21 N 2.54 0.00 -4.72 -0.36 0.24 0.04 -4.94 118.33 111.13 1t0r n VAL 21 Ca 0.04 -1.39 -0.31 0.00 -2.04 0.00 0.00 64.34 60.64 1t0r n VAL 21 Cb 0.46 0.36 -0.13 0.00 -1.47 0.00 0.00 33.84 33.06 1t0r n VAL 21 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1t0r s ASP 22 N -2.55 3.92 0.66 -1.34 2.15 -1.26 -0.74 116.67 117.50 1t0r s ASP 22 Ca 0.05 -0.34 0.38 0.00 0.43 0.00 0.00 52.55 53.07 1t0r s ASP 22 Cb 0.00 -0.71 2.09 0.00 -0.30 0.00 0.00 42.92 44.00 1t0r s ASP 22 CO 0.03 0.28 2.20 0.71 -0.17 0.00 0.00 175.17 178.22 1t0r h THR 23 N 4.04 0.05 0.00 1.71 1.35 -0.86 0.25 112.91 119.46 1t0r h THR 23 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1t0r h THR 23 Cb 1.15 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1t0r h THR 23 CO 0.49 0.00 -0.90 -0.62 -0.25 0.00 0.00 175.52 174.24 1t0r n GLU 24 N -3.09 0.32 -1.21 4.72 -0.58 -1.26 -1.19 120.64 118.35 1t0r n GLU 24 Ca -0.02 0.03 -0.35 0.00 -0.42 0.00 0.00 57.16 56.40 1t0r n GLU 24 Cb 0.20 -1.64 0.08 0.00 -0.57 0.00 0.00 31.44 29.51 1t0r n GLU 24 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1t0r n ASP 25 N -2.08 -0.77 -4.92 1.62 9.92 0.08 -4.69 116.55 115.72 1t0r n ASP 25 Ca 0.02 0.57 -0.28 0.00 -0.53 0.00 0.00 54.79 54.57 1t0r n ASP 25 Cb 0.45 -1.28 -0.03 0.00 -0.64 0.00 0.00 41.12 39.61 1t0r n ASP 25 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1t0r s THR 26 N -1.97 5.16 0.56 -3.53 2.01 -1.26 -1.97 115.64 114.63 1t0r s THR 26 Ca 0.67 -0.20 0.29 0.00 0.31 0.00 0.00 61.69 62.75 1t0r s THR 26 Cb -0.33 -3.71 0.41 0.00 0.01 0.00 0.00 72.50 68.88 1t0r s THR 26 CO 0.57 -0.17 1.93 -0.03 -0.69 0.00 0.00 174.62 176.23 1t0r h MET 27 N 2.08 0.00 -0.19 4.92 4.05 0.43 0.69 114.93 126.91 1t0r h MET 27 Ca -0.48 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 58.86 1t0r h MET 27 Cb 1.19 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.98 1t0r h MET 27 CO 0.68 0.00 -0.22 -0.44 0.23 0.00 0.00 176.91 177.16 1t0r h ASP 28 N 0.00 0.53 0.81 1.39 5.19 -1.50 -2.29 116.42 120.55 1t0r h ASP 28 Ca 0.26 -0.49 -0.10 0.00 -0.62 0.00 0.00 57.03 56.08 1t0r h ASP 28 Cb 1.22 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 40.57 1t0r h ASP 28 CO -0.00 0.92 -0.48 1.56 -3.12 0.00 0.00 179.24 178.12 1t0r h GLN 29 N 0.16 0.00 0.14 3.56 4.20 -0.20 -2.58 115.11 120.38 1t0r h GLN 29 Ca 0.03 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1t0r h GLN 29 Cb 0.78 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.56 1t0r h GLN 29 CO 0.05 0.48 -0.07 0.28 -0.67 0.00 0.00 178.83 178.91 1t0r h VAL 30 N 0.00 1.02 -0.63 -0.54 2.07 -0.07 -2.61 116.25 115.49 1t0r h VAL 30 Ca -0.00 -0.72 0.12 0.00 0.82 0.00 0.00 66.70 66.92 1t0r h VAL 30 Cb 1.01 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 32.20 1t0r h VAL 30 CO 0.06 0.17 0.42 0.00 0.02 0.00 0.00 177.57 178.24 1t0r h ALA 31 N 0.27 2.12 -0.37 1.67 0.00 -1.32 -1.02 119.26 120.61 1t0r h ALA 31 Ca -0.02 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1t0r h ALA 31 Cb 0.42 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1t0r h ALA 31 CO 0.03 -0.28 -0.40 1.49 0.00 0.00 0.00 179.25 180.09 1t0r h GLU 32 N 0.34 0.93 0.00 0.00 4.57 -1.32 -0.68 114.58 118.42 1t0r h GLU 32 Ca 0.30 -0.50 -0.04 0.00 -1.18 0.00 0.00 59.36 57.93 1t0r h GLU 32 Cb 0.70 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.31 1t0r h GLU 32 CO -0.08 1.16 -0.21 0.87 -1.18 0.00 0.00 179.01 179.57 1t0r h LYS 33 N 0.75 0.00 0.18 1.92 1.57 -0.83 -2.74 116.57 117.41 1t0r h LYS 33 Ca 0.06 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.59 1t0r h LYS 33 Cb 1.00 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.34 1t0r h LYS 33 CO 0.10 0.21 -1.11 0.00 -0.57 0.00 0.00 179.45 178.08 1t0r h ALA 35 N 0.09 1.77 -0.78 0.00 0.00 -0.99 -2.06 119.26 117.29 1t0r h ALA 35 Ca -0.20 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 54.88 1t0r h ALA 35 Cb 1.83 -0.16 -0.12 0.00 0.00 0.00 0.00 17.79 19.33 1t0r h ALA 35 CO 0.18 0.07 0.15 -0.92 0.00 0.00 0.00 179.25 178.74 1t0r h TYR 36 N 0.71 0.22 -0.01 0.00 3.20 -1.58 0.46 116.97 119.98 1t0r h TYR 36 Ca 0.35 0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.27 1t0r h TYR 36 Cb 0.43 0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.73 1t0r h TYR 36 CO -0.00 -0.15 -0.07 0.72 -1.64 0.00 0.00 178.16 177.02 1t0r n HIS 37 N -5.22 0.00 0.05 -3.82 8.25 -0.78 -4.54 115.22 109.16 1t0r n HIS 37 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 1t0r n HIS 37 Cb 0.52 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 31.55 1t0r n HIS 37 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1t0r n SER 38 N -0.58 0.61 -4.73 0.41 7.64 -0.08 -4.84 113.62 112.06 1t0r n SER 38 Ca 0.18 0.17 -0.42 0.00 1.01 0.00 0.00 58.87 59.80 1t0r n SER 38 Cb 0.27 -0.12 -0.02 0.00 -1.01 0.00 0.00 64.21 63.32 1t0r n SER 38 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1t0r n ILE 39 N -3.34 0.53 -0.28 0.44 2.08 0.14 -1.20 119.36 117.73 1t0r n ILE 39 Ca 0.00 -0.13 0.00 0.00 0.56 0.00 0.00 62.75 63.18 1t0r n ILE 39 Cb 0.10 -1.93 0.00 0.00 -0.75 0.00 0.00 39.64 37.06 1t0r n ILE 39 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1t0r n ASN 40 N 3.00 0.00 -0.13 4.38 3.02 -0.34 -4.73 115.26 120.46 1t0r n ASN 40 Ca 0.12 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.40 1t0r n ASN 40 Cb 0.35 -0.74 -0.11 0.00 -0.61 0.00 0.00 39.78 38.68 1t0r n ASN 40 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1t0r n ARG 41 N -2.00 0.59 -0.95 3.52 1.74 -0.34 -4.85 116.66 114.37 1t0r n ARG 41 Ca 0.00 0.33 -0.06 0.00 -0.77 0.00 0.00 57.85 57.36 1t0r n ARG 41 Cb 0.00 -1.56 -0.06 0.00 -1.02 0.00 0.00 32.46 29.82 1t0r n ARG 41 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1t0r n ARG 42 N -4.23 0.00 -3.67 5.56 1.85 -0.41 -5.08 116.66 110.68 1t0r n ARG 42 Ca -0.48 -0.91 -0.10 0.00 -1.00 0.00 0.00 57.85 55.36 1t0r n ARG 42 Cb 0.85 0.40 -0.11 0.00 -1.05 0.00 0.00 32.46 32.55 1t0r n ARG 42 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 1t0r s VAL 43 N 0.00 -0.40 0.39 8.89 1.01 -1.05 -4.75 120.40 124.48 1t0r s VAL 43 Ca 0.02 0.16 -0.26 0.00 0.00 0.00 0.00 61.98 61.90 1t0r s VAL 43 Cb 0.02 -0.60 -0.09 0.00 0.00 0.00 0.00 36.38 35.71 1t0r s VAL 43 CO -0.01 0.07 1.23 -1.00 0.00 0.00 0.00 175.10 175.39 1t0r s HIS 44 N 2.16 3.00 0.88 5.22 3.76 -1.26 -1.20 115.29 127.85 1t0r s HIS 44 Ca -0.04 1.50 -0.11 0.00 -0.15 0.00 0.00 55.06 56.25 1t0r s HIS 44 Cb -0.11 -3.52 0.12 0.00 1.11 0.00 0.00 32.58 30.19 1t0r s HIS 44 CO -0.12 -1.61 1.09 -2.14 -0.85 0.00 0.00 174.74 171.11 1t0r s PRO 45 N -2.19 1.35 -0.45 8.40 0.02 -1.26 -4.90 135.00 135.98 1t0r s PRO 45 Ca 0.56 0.94 0.05 0.00 0.02 0.00 0.00 61.00 62.57 1t0r s PRO 45 Cb -0.34 -1.81 0.18 0.00 0.02 0.00 0.00 34.50 32.54 1t0r s PRO 45 CO 0.44 -2.21 0.50 -0.65 -0.33 0.00 0.00 177.00 174.75 1t0r s GLN 46 N -4.89 0.96 0.30 5.54 -0.21 -1.26 -5.02 119.66 115.08 1t0r s GLN 46 Ca 0.63 -1.64 0.05 0.00 0.02 0.00 0.00 55.36 54.42 1t0r s GLN 46 Cb -0.18 -0.84 0.71 0.00 1.00 0.00 0.00 33.01 33.69 1t0r s GLN 46 CO 0.57 -1.36 1.79 -1.35 -2.12 0.00 0.00 175.29 172.82 1t0r h PRO 47 N 5.44 0.79 0.00 2.91 0.11 -2.03 0.16 132.00 139.38 1t0r h PRO 47 Ca 0.18 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1t0r h PRO 47 Cb 1.00 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1t0r h PRO 47 CO 0.22 0.52 0.00 -1.91 -0.21 0.00 0.00 178.00 176.62 1t0r n GLU 48 N -4.74 0.09 -4.07 1.05 0.00 -1.26 -4.75 120.64 106.96 1t0r n GLU 48 Ca 0.23 0.39 -0.22 0.00 0.00 0.00 0.00 57.16 57.55 1t0r n GLU 48 Cb 0.53 -1.69 -0.05 0.00 0.00 0.00 0.00 31.44 30.23 1t0r n GLU 48 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1t0r s LYS 49 N -3.18 2.55 -0.01 5.31 -0.14 0.58 -4.97 119.74 119.89 1t0r s LYS 49 Ca 0.04 -1.36 0.07 0.00 -1.36 0.00 0.00 55.97 53.36 1t0r s LYS 49 Cb 0.08 -2.32 -0.02 0.00 -1.68 0.00 0.00 37.83 33.89 1t0r s LYS 49 CO 0.28 0.21 -0.22 0.42 -0.76 0.00 0.00 175.35 175.27 1t0r s ILE 50 N -2.32 1.77 -0.19 2.17 1.09 0.86 -4.92 121.20 119.66 1t0r s ILE 50 Ca 0.36 -1.01 -0.25 0.00 -1.10 0.00 0.00 60.65 58.66 1t0r s ILE 50 Cb -0.05 -1.48 -0.01 0.00 -1.06 0.00 0.00 42.46 39.86 1t0r s ILE 50 CO 0.24 0.45 0.81 -0.76 -0.10 0.00 0.00 174.94 175.58 1t0r s LEU 51 N -0.65 4.15 0.34 2.97 1.43 -1.26 -1.17 118.68 124.48 1t0r s LEU 51 Ca 0.09 1.11 0.09 0.00 -1.03 0.00 0.00 54.13 54.38 1t0r s LEU 51 Cb -0.09 -3.19 -0.05 0.00 0.03 0.00 0.00 46.19 42.89 1t0r s LEU 51 CO -0.00 -0.41 0.05 -0.13 0.23 0.00 0.00 176.35 176.08 1t0r s ARG 52 N 2.29 2.18 -0.09 1.70 1.81 0.22 -4.88 118.95 122.18 1t0r s ARG 52 Ca 0.37 -1.67 0.03 0.00 -1.72 0.00 0.00 55.73 52.73 1t0r s ARG 52 Cb -0.16 -2.01 0.01 0.00 -0.45 0.00 0.00 34.95 32.33 1t0r s ARG 52 CO 0.11 0.14 -0.17 0.08 -0.68 0.00 0.00 175.30 174.78 1t0r s VAL 53 N -2.48 1.56 -0.01 3.52 1.01 -1.26 -1.91 120.40 120.83 1t0r s VAL 53 Ca 0.35 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1t0r s VAL 53 Cb -0.01 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.99 1t0r s VAL 53 CO 0.20 0.45 -0.02 0.00 0.00 0.00 0.00 175.10 175.74 1t0r s ARG 54 N 0.62 0.25 0.09 2.72 1.70 -0.83 -0.75 118.95 122.75 1t0r s ARG 54 Ca -0.14 -0.04 -0.31 0.00 -0.47 0.00 0.00 55.73 54.77 1t0r s ARG 54 Cb -0.16 -0.31 -0.10 0.00 -0.57 0.00 0.00 34.95 33.81 1t0r s ARG 54 CO 0.04 -0.01 1.88 -2.13 -1.08 0.00 0.00 175.30 174.00 1t0r n ARG 55 N 3.40 2.78 -0.29 3.89 0.63 -0.09 0.11 116.66 127.09 1t0r n ARG 55 Ca -0.18 1.01 -0.01 0.00 -0.92 0.00 0.00 57.85 57.76 1t0r n ARG 55 Cb 0.56 -2.92 0.12 0.00 0.45 0.00 0.00 32.46 30.67 1t0r n ARG 55 CO 0.00 0.00 0.00 1.25 -2.51 0.00 0.00 177.63 176.37 1t0r h HIS 56 N 9.12 0.93 0.16 -0.14 -0.00 -1.63 -1.01 115.15 122.58 1t0r h HIS 56 Ca -0.47 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 59.93 1t0r h HIS 56 Cb 1.23 -0.30 -0.03 0.00 -0.00 0.00 0.00 27.41 28.32 1t0r h HIS 56 CO 0.84 0.49 -0.23 1.49 -0.00 0.00 0.00 177.93 180.51 1t0r h GLU 57 N 0.93 -0.43 -0.06 5.26 4.81 -1.90 -3.32 114.58 119.87 1t0r h GLU 57 Ca 0.35 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.61 1t0r h GLU 57 Cb 0.13 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1t0r h GLU 57 CO -0.16 -0.29 0.00 -0.40 -0.73 0.00 0.00 179.01 177.43 1t0r n ASP 58 N -5.35 2.16 0.00 1.04 5.68 -1.23 -4.99 116.55 113.86 1t0r n ASP 58 Ca -0.07 -1.58 0.00 0.00 -0.50 0.00 0.00 54.79 52.64 1t0r n ASP 58 Cb 0.26 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 1t0r n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1t0r n GLY 59 N 0.70 0.48 3.73 6.12 0.00 -0.38 -4.99 105.19 110.85 1t0r n GLY 59 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1t0r n GLY 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t0r s THR 60 N -2.09 2.06 -0.25 2.61 2.01 -1.23 -4.76 115.64 113.99 1t0r s THR 60 Ca 0.00 0.04 -0.11 0.00 0.31 0.00 0.00 61.69 61.93 1t0r s THR 60 Cb 0.00 -3.03 -0.05 0.00 0.01 0.00 0.00 72.50 69.43 1t0r s THR 60 CO 0.00 0.00 0.21 -0.22 -0.69 0.00 0.00 174.62 173.92 1t0r s LEU 61 N 0.47 4.10 -0.10 4.42 2.96 -1.26 -0.91 118.68 128.35 1t0r s LEU 61 Ca 0.70 0.14 -0.17 0.00 -0.22 0.00 0.00 54.13 54.58 1t0r s LEU 61 Cb -0.49 -2.17 -0.05 0.00 0.50 0.00 0.00 46.19 43.98 1t0r s LEU 61 CO 0.39 0.01 0.43 -0.36 -1.32 0.00 0.00 176.35 175.49 1t0r s PHE 62 N 1.29 3.55 0.41 5.38 0.08 0.07 -5.00 117.98 123.76 1t0r s PHE 62 Ca 0.09 0.86 -0.25 0.00 0.12 0.00 0.00 56.93 57.75 1t0r s PHE 62 Cb -0.14 -2.46 -0.11 0.00 -0.57 0.00 0.00 43.02 39.74 1t0r s PHE 62 CO 0.07 0.28 1.01 -2.30 -0.10 0.00 0.00 175.22 174.18 1t0r n PRO 63 N 3.26 1.36 -0.41 0.24 -0.02 -1.26 -4.45 135.00 133.72 1t0r n PRO 63 Ca -0.09 0.49 0.37 0.00 -2.02 0.00 0.00 63.50 62.24 1t0r n PRO 63 Cb 0.52 -2.02 0.71 0.00 -0.02 0.00 0.00 33.50 32.68 1t0r n PRO 63 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1t0r h ARG 64 N 1.59 0.08 0.00 -0.52 3.08 -1.95 -3.33 114.38 113.32 1t0r h ARG 64 Ca -0.44 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1t0r h ARG 64 Cb 1.34 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.37 1t0r h ARG 64 CO 0.57 0.05 0.00 0.41 -1.07 0.00 0.00 179.97 179.93 1t0r n GLY 65 N -1.71 0.18 1.88 0.04 0.00 -1.26 -1.65 105.19 102.66 1t0r n GLY 65 Ca 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1t0r n GLY 65 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1t0r n MET 66 N 0.00 -2.41 -3.36 1.61 0.00 -1.25 -0.73 117.12 110.97 1t0r n MET 66 Ca 0.00 1.71 -0.36 0.00 0.00 0.00 0.00 57.70 59.06 1t0r n MET 66 Cb 0.00 -2.22 -0.06 0.00 0.00 0.00 0.00 33.22 30.95 1t0r n MET 66 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 175.97 176.93 1t0r s ILE 67 N -0.24 4.86 0.23 1.12 -4.36 -1.26 -1.29 121.20 120.27 1t0r s ILE 67 Ca 0.00 0.84 0.03 0.00 -0.26 0.00 0.00 60.65 61.25 1t0r s ILE 67 Cb 0.00 -3.74 0.31 0.00 1.25 0.00 0.00 42.46 40.27 1t0r s ILE 67 CO 0.00 0.27 1.15 0.52 0.24 0.00 0.00 174.94 177.12 1t0r n VAL 68 N 0.89 -0.31 0.02 8.37 0.31 -0.83 0.17 118.33 126.94 1t0r n VAL 68 Ca -0.06 1.60 0.22 0.00 -0.01 0.00 0.00 64.34 66.09 1t0r n VAL 68 Cb 0.52 -2.36 0.73 0.00 -0.91 0.00 0.00 33.84 31.81 1t0r n VAL 68 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1t0r h SER 69 N 0.00 0.00 0.00 4.52 0.87 -1.45 -1.58 113.55 115.91 1t0r h SER 69 Ca 0.46 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.02 1t0r h SER 69 Cb 0.98 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 1t0r h SER 69 CO -0.68 0.00 -0.73 0.47 -0.53 0.00 0.00 176.83 175.36 1t0r n ASP 70 N -4.02 1.49 0.11 6.23 8.00 0.45 -4.37 116.55 124.44 1t0r n ASP 70 Ca 0.10 -1.24 0.13 0.00 0.71 0.00 0.00 54.79 54.49 1t0r n ASP 70 Cb 0.67 0.73 0.42 0.00 -0.02 0.00 0.00 41.12 42.92 1t0r n ASP 70 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1t0r n ALA 71 N -0.77 2.23 -3.37 2.24 0.00 -0.59 -4.95 120.51 115.29 1t0r n ALA 71 Ca 0.07 -0.02 -0.16 0.00 0.00 0.00 0.00 53.44 53.33 1t0r n ALA 71 Cb 0.40 -1.46 0.08 0.00 0.00 0.00 0.00 19.45 18.47 1t0r n ALA 71 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t0r n GLY 72 N 1.20 -0.47 3.88 0.00 0.00 -1.25 -5.00 105.19 103.55 1t0r n GLY 72 Ca 0.05 0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 1t0r n GLY 72 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t0r s LEU 73 N -6.11 4.35 0.05 0.99 1.43 -1.26 -5.07 118.68 113.06 1t0r s LEU 73 Ca 0.07 0.63 -0.28 0.00 -1.03 0.00 0.00 54.13 53.52 1t0r s LEU 73 Cb -0.01 -2.83 -0.05 0.00 0.03 0.00 0.00 46.19 43.33 1t0r s LEU 73 CO 0.71 0.21 0.89 -0.13 0.23 0.00 0.00 176.35 178.26 1t0r s ARG 74 N -1.91 4.58 0.28 1.70 0.52 -1.26 -4.97 118.95 117.90 1t0r s ARG 74 Ca 0.31 1.29 -0.28 0.00 -0.52 0.00 0.00 55.73 56.52 1t0r s ARG 74 Cb -0.13 -3.40 -0.14 0.00 0.52 0.00 0.00 34.95 31.79 1t0r s ARG 74 CO 0.18 0.15 0.98 -0.35 0.02 0.00 0.00 175.30 176.28 1t0r n PRO 75 N 3.18 1.25 -0.99 3.54 -0.04 -1.26 -0.03 135.00 140.65 1t0r n PRO 75 Ca 0.02 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 1t0r n PRO 75 Cb 0.50 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 1t0r n PRO 75 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1t0r n THR 76 N 0.26 0.00 -1.58 0.52 5.66 0.22 -4.97 114.28 114.39 1t0r n THR 76 Ca 0.10 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.68 1t0r n THR 76 Cb 0.31 -0.01 0.01 0.00 -1.55 0.00 0.00 70.33 69.09 1t0r n THR 76 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1t0r n GLU 77 N -2.16 1.20 -3.31 1.09 4.07 0.96 -3.70 120.64 118.79 1t0r n GLU 77 Ca 0.00 0.43 -0.38 0.00 -0.06 0.00 0.00 57.16 57.15 1t0r n GLU 77 Cb 0.00 -1.91 -0.06 0.00 -0.06 0.00 0.00 31.44 29.41 1t0r n GLU 77 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1t0r s THR 78 N -1.27 5.08 -0.02 6.31 2.01 -1.26 0.00 115.64 126.49 1t0r s THR 78 Ca 0.63 1.02 0.04 0.00 0.31 0.00 0.00 61.69 63.69 1t0r s THR 78 Cb -0.59 -3.83 -0.01 0.00 0.01 0.00 0.00 72.50 68.08 1t0r s THR 78 CO 0.57 0.39 -0.13 -0.76 -0.69 0.00 0.00 174.62 174.00 1t0r s LEU 79 N 0.12 1.95 0.19 4.42 1.43 0.73 -1.64 118.68 125.88 1t0r s LEU 79 Ca 0.27 -0.25 -0.24 0.00 -1.03 0.00 0.00 54.13 52.88 1t0r s LEU 79 Cb -0.16 -0.72 -0.08 0.00 0.03 0.00 0.00 46.19 45.26 1t0r s LEU 79 CO 0.13 0.14 0.78 -1.81 0.23 0.00 0.00 176.35 175.82 1t0r s ASP 80 N -0.15 7.31 -0.38 2.29 1.01 0.12 -1.31 116.67 125.55 1t0r s ASP 80 Ca 0.02 1.61 0.04 0.00 0.71 0.00 0.00 52.55 54.92 1t0r s ASP 80 Cb -0.07 -2.49 0.11 0.00 1.01 0.00 0.00 42.92 41.48 1t0r s ASP 80 CO 0.00 0.15 0.10 -0.63 0.21 0.00 0.00 175.17 175.00 1t0r s ILE 81 N -1.27 2.40 0.25 0.77 1.09 -1.10 -1.97 121.20 121.37 1t0r s ILE 81 Ca 0.38 -2.54 0.07 0.00 -1.10 0.00 0.00 60.65 57.47 1t0r s ILE 81 Cb -0.21 -2.74 -0.04 0.00 -1.06 0.00 0.00 42.46 38.41 1t0r s ILE 81 CO 0.25 -0.65 0.20 0.27 -0.10 0.00 0.00 174.94 174.91 1t0r s ILE 82 N 0.66 4.42 -0.25 2.92 -4.36 -0.80 -1.66 121.20 122.14 1t0r s ILE 82 Ca 0.12 -1.40 -0.15 0.00 -0.26 0.00 0.00 60.65 58.96 1t0r s ILE 82 Cb -0.21 -3.40 -0.04 0.00 1.25 0.00 0.00 42.46 40.07 1t0r s ILE 82 CO -0.06 -0.34 0.36 -0.36 0.24 0.00 0.00 174.94 174.77 1t0r s PHE 83 N -2.14 3.28 0.00 1.37 0.08 -1.26 -0.61 117.98 118.70 1t0r s PHE 83 Ca 0.33 0.45 0.00 0.00 0.12 0.00 0.00 56.93 57.83 1t0r s PHE 83 Cb -0.08 -2.53 0.00 0.00 -0.57 0.00 0.00 43.02 39.84 1t0r s PHE 83 CO 0.25 -0.15 0.00 0.00 -0.10 0.00 0.00 175.22 175.22 1t0r n MET 84 N 5.02 0.00 0.00 0.44 0.00 -0.32 -4.94 117.12 117.33 1t0r n MET 84 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.61 1t0r n MET 84 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.73 1t0r n MET 84 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72