#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x40 s SER 2 N 0.00 1.20 0.17 1.61 0.01 -1.26 -5.15 113.70 110.28 1x40 s SER 2 Ca 0.00 -0.18 0.05 0.00 1.31 0.00 0.00 55.95 57.13 1x40 s SER 2 Cb 0.00 -0.15 -0.04 0.00 0.21 0.00 0.00 66.02 66.04 1x40 s SER 2 CO 0.00 0.12 0.16 -0.94 0.41 0.00 0.00 173.24 172.99 1x40 s SER 3 N -0.20 5.61 0.00 2.44 1.04 -1.26 -4.98 113.70 116.35 1x40 s SER 3 Ca 0.03 -0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.35 1x40 s SER 3 Cb -0.04 -1.49 0.00 0.00 0.10 0.00 0.00 66.02 64.59 1x40 s SER 3 CO -0.00 0.06 0.00 0.61 0.98 0.00 0.00 173.24 174.88 1x40 n GLY 4 N -0.45 0.00 3.37 7.32 0.00 -1.26 -5.17 105.19 109.00 1x40 n GLY 4 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 1x40 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x40 s SER 5 N 0.00 -0.41 0.08 1.61 1.04 -1.26 -5.17 113.70 109.59 1x40 s SER 5 Ca 0.00 0.39 0.07 0.00 0.48 0.00 0.00 55.95 56.89 1x40 s SER 5 Cb 0.00 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.51 1x40 s SER 5 CO 0.00 -0.52 -0.14 -0.94 0.98 0.00 0.00 173.24 172.62 1x40 s SER 6 N -1.24 4.13 0.83 7.02 1.04 -1.26 -5.11 113.70 119.11 1x40 s SER 6 Ca -0.12 -0.41 -0.12 0.00 0.48 0.00 0.00 55.95 55.77 1x40 s SER 6 Cb -0.03 -0.73 0.10 0.00 0.10 0.00 0.00 66.02 65.46 1x40 s SER 6 CO 0.07 0.21 1.19 -0.83 0.98 0.00 0.00 173.24 174.86 1x40 s GLY 7 N -1.89 2.03 0.05 7.32 0.00 -1.26 -4.94 107.32 108.63 1x40 s GLY 7 Ca 0.18 0.77 -0.24 0.00 0.00 0.00 0.00 44.72 45.42 1x40 s GLY 7 CO 0.10 1.18 1.58 -0.33 0.00 0.00 0.00 173.10 175.63 1x40 h MET 8 N -1.15 -0.06 -6.22 2.90 2.86 -2.05 -3.44 114.93 107.77 1x40 h MET 8 Ca -0.45 0.00 -0.62 0.00 -2.06 0.00 0.00 59.70 56.57 1x40 h MET 8 Cb 1.29 0.01 0.14 0.00 0.06 0.00 0.00 31.60 33.10 1x40 h MET 8 CO 0.45 0.11 -0.51 0.43 1.06 0.00 0.00 176.91 178.45 1x40 n SER 9 N -5.04 -1.24 -4.94 1.22 7.64 -1.26 -4.96 113.62 105.04 1x40 n SER 9 Ca -0.08 0.93 -0.25 0.00 1.01 0.00 0.00 58.87 60.48 1x40 n SER 9 Cb 0.12 -1.05 0.03 0.00 -1.01 0.00 0.00 64.21 62.30 1x40 n SER 9 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x40 s SER 10 N -0.94 5.47 -0.29 6.43 0.15 -1.26 -4.97 113.70 118.28 1x40 s SER 10 Ca 0.62 0.45 -0.02 0.00 0.70 0.00 0.00 55.95 57.70 1x40 s SER 10 Cb -0.66 -1.43 0.09 0.00 -1.71 0.00 0.00 66.02 62.31 1x40 s SER 10 CO 0.59 -1.08 2.43 1.33 1.20 0.00 0.00 173.24 177.71 1x40 n VAL 11 N -2.48 2.88 0.00 4.45 0.24 -1.26 -3.86 118.33 118.30 1x40 n VAL 11 Ca 0.05 -1.91 0.00 0.00 -2.04 0.00 0.00 64.34 60.44 1x40 n VAL 11 Cb 0.58 -1.51 0.00 0.00 -1.47 0.00 0.00 33.84 31.45 1x40 n VAL 11 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1x40 n SER 12 N 0.88 1.74 -4.42 -1.34 2.88 -1.26 -5.09 113.62 107.02 1x40 n SER 12 Ca 0.34 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.55 1x40 n SER 12 Cb 0.60 0.00 0.13 0.00 -0.75 0.00 0.00 64.21 64.19 1x40 n SER 12 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1x40 n GLU 13 N -2.25 -0.47 -0.03 -1.46 2.13 -1.25 -4.94 120.64 112.37 1x40 n GLU 13 Ca 0.00 -0.10 -0.03 0.00 0.66 0.00 0.00 57.16 57.69 1x40 n GLU 13 Cb 0.29 -1.87 -0.13 0.00 0.27 0.00 0.00 31.44 29.99 1x40 n GLU 13 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1x40 n VAL 14 N -3.74 1.14 -2.55 6.31 0.31 -1.26 -4.92 118.33 113.62 1x40 n VAL 14 Ca 0.06 -0.74 -0.41 0.00 -0.01 0.00 0.00 64.34 63.25 1x40 n VAL 14 Cb 0.54 -0.57 -0.04 0.00 -0.91 0.00 0.00 33.84 32.86 1x40 n VAL 14 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1x40 s ASN 15 N -5.52 7.33 0.24 4.52 3.84 -1.26 -4.84 114.94 119.24 1x40 s ASN 15 Ca -0.06 2.07 -0.10 0.00 0.21 0.00 0.00 52.86 54.98 1x40 s ASN 15 Cb 0.08 -2.61 -0.07 0.00 -0.55 0.00 0.00 41.25 38.11 1x40 s ASN 15 CO 0.84 -0.16 0.57 0.54 -2.79 0.00 0.00 177.10 176.09 1x40 s VAL 16 N -0.43 4.92 0.16 -5.21 0.11 -1.26 -4.99 120.40 113.69 1x40 s VAL 16 Ca 0.48 0.47 -0.30 0.00 -2.93 0.00 0.00 61.98 59.70 1x40 s VAL 16 Cb -0.29 -3.63 -0.07 0.00 -1.53 0.00 0.00 36.38 30.86 1x40 s VAL 16 CO 0.35 -0.10 1.12 -0.62 -3.33 0.00 0.00 175.10 172.51 1x40 s ASP 17 N -2.43 7.23 0.61 3.54 2.15 -1.26 -2.26 116.67 124.24 1x40 s ASP 17 Ca 0.48 2.08 0.27 0.00 0.43 0.00 0.00 52.55 55.80 1x40 s ASP 17 Cb -0.11 -2.60 1.06 0.00 -0.30 0.00 0.00 42.92 40.97 1x40 s ASP 17 CO 0.22 -0.27 1.46 -0.29 -0.17 0.00 0.00 175.17 176.11 1x40 h ILE 18 N 3.87 0.09 0.58 4.11 6.09 -0.68 0.25 117.51 131.82 1x40 h ILE 18 Ca -0.44 0.00 -0.03 0.00 -1.37 0.00 0.00 64.86 63.02 1x40 h ILE 18 Cb 1.21 0.16 0.01 0.00 0.47 0.00 0.00 36.82 38.67 1x40 h ILE 18 CO 0.74 0.00 -0.28 0.50 -3.07 0.00 0.00 178.15 176.04 1x40 h LYS 19 N 0.00 -0.75 -0.75 2.19 3.64 -1.90 -1.94 116.57 117.06 1x40 h LYS 19 Ca 0.41 0.05 0.16 0.00 -1.27 0.00 0.00 60.65 60.00 1x40 h LYS 19 Cb 2.46 0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 34.40 1x40 h LYS 19 CO -0.00 -0.50 0.51 0.22 -2.27 0.00 0.00 179.45 177.40 1x40 h ASP 20 N -0.96 0.34 -0.61 4.20 3.58 -1.34 0.29 116.42 121.92 1x40 h ASP 20 Ca -0.08 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.33 1x40 h ASP 20 Cb 0.60 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.58 1x40 h ASP 20 CO 0.13 0.17 0.14 0.15 -2.88 0.00 0.00 179.24 176.95 1x40 h PHE 21 N 0.36 1.04 0.03 0.28 3.57 -1.38 -1.44 116.94 119.40 1x40 h PHE 21 Ca 0.37 -0.13 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 1x40 h PHE 21 Cb 0.93 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.38 1x40 h PHE 21 CO -0.00 0.88 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.87 1x40 h LEU 22 N 0.90 -0.04 -1.81 0.59 3.38 -0.23 -3.30 115.31 114.80 1x40 h LEU 22 Ca 0.19 -0.51 0.26 0.00 0.09 0.00 0.00 57.88 57.91 1x40 h LEU 22 Cb 0.37 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.08 1x40 h LEU 22 CO 0.00 0.69 0.67 0.24 0.09 0.00 0.00 178.44 180.13 1x40 h MET 23 N -0.97 0.13 -0.69 1.13 2.86 -0.59 0.34 114.93 117.13 1x40 h MET 23 Ca -0.00 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 1x40 h MET 23 Cb 0.54 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.14 1x40 h MET 23 CO 0.01 0.09 0.33 0.66 1.06 0.00 0.00 176.91 179.06 1x40 h SER 24 N 0.14 0.89 -0.63 1.22 4.64 -1.33 -2.25 113.55 116.23 1x40 h SER 24 Ca 0.48 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1x40 h SER 24 Cb 1.64 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1x40 h SER 24 CO -0.08 0.76 0.00 2.30 -0.87 0.00 0.00 176.83 178.94 1x40 n ILE 25 N -4.33 1.02 -2.84 0.95 -5.35 0.92 -4.94 119.36 104.78 1x40 n ILE 25 Ca 0.07 -1.01 -0.18 0.00 -0.27 0.00 0.00 62.75 61.36 1x40 n ILE 25 Cb 0.14 0.49 0.03 0.00 -1.74 0.00 0.00 39.64 38.56 1x40 n ILE 25 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1x40 n ASN 26 N 1.33 -5.30 -0.84 7.28 3.02 0.30 -4.90 115.26 116.16 1x40 n ASN 26 Ca 0.21 -0.22 0.02 0.00 -0.03 0.00 0.00 54.58 54.56 1x40 n ASN 26 Cb 0.57 -4.15 0.20 0.00 -0.61 0.00 0.00 39.78 35.79 1x40 n ASN 26 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1x40 n LEU 27 N -3.28 3.45 0.25 3.41 7.99 0.06 -4.68 117.00 124.20 1x40 n LEU 27 Ca -0.10 -3.68 0.17 0.00 -0.01 0.00 0.00 56.01 52.38 1x40 n LEU 27 Cb 0.60 -0.57 0.85 0.00 -0.11 0.00 0.00 43.42 44.19 1x40 n LEU 27 CO 0.38 1.20 1.01 1.05 -1.51 0.00 0.00 177.39 179.51 1x40 h GLU 28 N 0.97 0.00 0.00 3.23 -0.00 -1.91 -2.12 114.58 114.75 1x40 h GLU 28 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.47 1x40 h GLU 28 Cb 1.35 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.10 1x40 h GLU 28 CO 0.20 0.00 0.06 -0.56 -0.00 0.00 0.00 179.01 178.72 1x40 h GLN 29 N 0.00 0.00 -0.00 1.06 3.07 -1.94 0.25 115.11 117.54 1x40 h GLN 29 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1x40 h GLN 29 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.70 1x40 h GLN 29 CO 0.00 0.00 -0.81 0.66 0.09 0.00 0.00 178.83 178.77 1x40 n TYR 30 N -2.82 0.00 -0.39 0.06 4.01 -0.80 -4.57 117.16 112.66 1x40 n TYR 30 Ca -0.02 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.67 1x40 n TYR 30 Cb 0.12 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.13 1x40 n TYR 30 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1x40 n LEU 31 N -1.08 -0.79 0.13 7.72 7.94 0.88 -0.85 117.00 130.95 1x40 n LEU 31 Ca 0.05 1.70 -0.16 0.00 -1.11 0.00 0.00 56.01 56.49 1x40 n LEU 31 Cb 0.35 -0.32 -0.09 0.00 0.53 0.00 0.00 43.42 43.89 1x40 n LEU 31 CO 0.37 -1.47 0.55 0.25 -1.11 0.00 0.00 177.39 175.98 1x40 h LEU 32 N 0.00 -1.41 -0.93 -1.96 7.12 -1.80 -0.94 115.31 115.38 1x40 h LEU 32 Ca 0.26 0.15 0.27 0.00 0.13 0.00 0.00 57.88 58.69 1x40 h LEU 32 Cb 0.50 0.52 -0.14 0.00 -0.53 0.00 0.00 40.66 41.01 1x40 h LEU 32 CO -0.94 -0.54 0.38 0.45 -0.13 0.00 0.00 178.44 177.66 1x40 h HIS 33 N -0.73 0.61 -0.46 1.25 3.86 -1.29 0.33 115.15 118.72 1x40 h HIS 33 Ca 0.00 0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 59.22 1x40 h HIS 33 Cb 0.74 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 29.07 1x40 h HIS 33 CO -0.40 -0.18 0.15 0.74 0.86 0.00 0.00 177.93 179.10 1x40 h PHE 34 N 0.28 0.73 0.43 2.45 -1.00 -0.06 -1.50 116.94 118.27 1x40 h PHE 34 Ca 0.62 -0.07 -0.02 0.00 2.81 0.00 0.00 57.97 61.31 1x40 h PHE 34 Cb 1.32 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 40.67 1x40 h PHE 34 CO -0.16 0.65 -0.21 0.45 -1.61 0.00 0.00 178.31 177.44 1x40 h HIS 35 N 0.60 -0.54 -1.01 -0.55 3.86 0.88 0.28 115.15 118.67 1x40 h HIS 35 Ca 0.15 -0.01 0.25 0.00 -1.16 0.00 0.00 60.37 59.60 1x40 h HIS 35 Cb 0.26 0.18 -0.12 0.00 1.06 0.00 0.00 27.41 28.78 1x40 h HIS 35 CO 0.01 -0.33 0.61 1.05 0.86 0.00 0.00 177.93 180.12 1x40 h GLU 36 N -0.59 0.53 -0.13 2.45 4.11 -1.28 0.62 114.58 120.30 1x40 h GLU 36 Ca -0.06 -0.03 -0.03 0.00 0.07 0.00 0.00 59.36 59.31 1x40 h GLU 36 Cb 0.45 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1x40 h GLU 36 CO 0.10 0.35 -0.04 0.77 0.07 0.00 0.00 179.01 180.25 1x40 h SER 37 N 0.55 0.17 0.00 3.06 0.02 -1.10 -3.46 113.55 112.78 1x40 h SER 37 Ca 0.64 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.57 1x40 h SER 37 Cb 1.29 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.78 1x40 h SER 37 CO -0.46 0.25 0.00 0.61 -1.14 0.00 0.00 176.83 176.09 1x40 n GLY 38 N -1.15 1.57 2.89 -3.77 0.00 0.22 -5.09 105.19 99.87 1x40 n GLY 38 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1x40 n GLY 38 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x40 s PHE 39 N -2.00 2.59 -0.16 1.61 0.08 0.89 -4.96 117.98 116.03 1x40 s PHE 39 Ca 0.00 -2.14 -0.01 0.00 0.12 0.00 0.00 56.93 54.90 1x40 s PHE 39 Cb 0.00 -2.05 -0.23 0.00 -0.57 0.00 0.00 43.02 40.17 1x40 s PHE 39 CO 0.00 -0.86 0.19 0.25 -0.10 0.00 0.00 175.22 174.70 1x40 n THR 40 N 4.60 1.66 -4.62 0.64 -2.24 -1.26 -3.70 114.28 109.36 1x40 n THR 40 Ca -0.04 -0.65 -0.28 0.00 -2.27 0.00 0.00 64.05 60.81 1x40 n THR 40 Cb 0.43 -1.51 -0.11 0.00 -2.10 0.00 0.00 70.33 67.04 1x40 n THR 40 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1x40 s THR 41 N -2.55 1.82 0.34 4.28 -4.23 -1.26 -0.01 115.64 114.03 1x40 s THR 41 Ca -0.24 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.35 1x40 s THR 41 Cb 0.07 -2.89 0.10 0.00 1.34 0.00 0.00 72.50 71.12 1x40 s THR 41 CO 0.72 0.00 1.80 0.58 -0.54 0.00 0.00 174.62 177.19 1x40 h VAL 42 N 1.76 1.25 -0.30 2.29 2.07 -1.75 -2.64 116.25 118.92 1x40 h VAL 42 Ca -0.44 -1.16 0.01 0.00 0.82 0.00 0.00 66.70 65.93 1x40 h VAL 42 Cb 1.25 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 32.45 1x40 h VAL 42 CO 0.79 0.35 0.20 0.50 0.02 0.00 0.00 177.57 179.43 1x40 h LYS 43 N 0.22 0.37 0.00 1.57 1.63 -1.96 0.33 116.57 118.72 1x40 h LYS 43 Ca 0.03 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1x40 h LYS 43 Cb 0.60 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1x40 h LYS 43 CO 0.04 0.24 0.00 -0.44 -3.45 0.00 0.00 179.45 175.85 1x40 h ASP 44 N 0.38 0.00 -0.37 4.20 3.32 -1.86 -2.18 116.42 119.90 1x40 h ASP 44 Ca 0.11 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1x40 h ASP 44 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1x40 h ASP 44 CO -0.03 0.00 0.01 0.00 -1.72 0.00 0.00 179.24 177.51 1x40 h ALA 46 N 3.20 0.84 -0.46 0.00 0.00 -1.49 -3.08 119.26 118.27 1x40 h ALA 46 Ca 0.01 -0.60 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 1x40 h ALA 46 Cb 1.46 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1x40 h ALA 46 CO 0.33 0.82 0.03 0.00 0.00 0.00 0.00 179.25 180.42 1x40 n ALA 47 N -2.38 3.61 -2.87 0.00 0.00 -1.26 -4.98 120.51 112.64 1x40 n ALA 47 Ca -0.01 -2.17 -0.31 0.00 0.00 0.00 0.00 53.44 50.95 1x40 n ALA 47 Cb 0.67 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 19.12 1x40 n ALA 47 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1x40 s ILE 48 N -2.84 5.34 0.12 0.00 1.01 -1.17 -5.08 121.20 118.59 1x40 s ILE 48 Ca 0.49 -0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.82 1x40 s ILE 48 Cb 0.39 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 1x40 s ILE 48 CO 0.12 0.12 0.08 0.21 0.00 0.00 0.00 174.94 175.48 1x40 s ASN 49 N -2.48 0.30 0.30 3.58 3.04 -1.26 -5.01 114.94 113.41 1x40 s ASN 49 Ca 0.36 -1.08 0.06 0.00 0.04 0.00 0.00 52.86 52.24 1x40 s ASN 49 Cb -0.13 0.30 0.82 0.00 -1.54 0.00 0.00 41.25 40.70 1x40 s ASN 49 CO 0.27 -0.73 1.65 -2.24 -3.04 0.00 0.00 177.10 173.02 1x40 h ASP 50 N 2.87 0.15 -0.79 -4.21 2.03 -1.99 0.69 116.42 115.17 1x40 h ASP 50 Ca -0.34 0.19 0.07 0.00 -0.73 0.00 0.00 57.03 56.22 1x40 h ASP 50 Cb 1.19 0.23 -0.05 0.00 -0.83 0.00 0.00 39.33 39.87 1x40 h ASP 50 CO 0.59 -0.14 0.52 -1.28 -1.03 0.00 0.00 179.24 177.89 1x40 h SER 51 N 0.25 0.74 -0.04 4.15 0.87 -1.99 -1.99 113.55 115.54 1x40 h SER 51 Ca 0.60 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 61.12 1x40 h SER 51 Cb 1.26 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1x40 h SER 51 CO -0.64 0.47 -0.16 0.25 -0.53 0.00 0.00 176.83 176.22 1x40 h LEU 52 N 0.84 0.20 -0.70 2.23 5.85 -0.06 -2.87 115.31 120.80 1x40 h LEU 52 Ca 0.35 -0.65 0.14 0.00 0.84 0.00 0.00 57.88 58.56 1x40 h LEU 52 Cb 0.27 -0.06 -0.10 0.00 0.37 0.00 0.00 40.66 41.14 1x40 h LEU 52 CO -0.12 0.82 0.18 -0.07 -0.34 0.00 0.00 178.44 178.90 1x40 h LEU 53 N -0.40 0.04 -0.05 2.25 -0.00 -0.78 0.79 115.31 117.17 1x40 h LEU 53 Ca -0.01 0.13 0.00 0.00 -0.00 0.00 0.00 57.88 58.00 1x40 h LEU 53 Cb 0.81 0.17 0.00 0.00 -0.00 0.00 0.00 40.66 41.64 1x40 h LEU 53 CO 0.03 -0.01 0.00 0.00 -0.00 0.00 0.00 178.44 178.47 1x40 n GLN 54 N -5.13 0.02 0.03 1.13 10.64 -0.79 -2.95 117.38 120.34 1x40 n GLN 54 Ca 0.13 0.17 -0.19 0.00 -1.83 0.00 0.00 57.00 55.28 1x40 n GLN 54 Cb 0.42 -1.54 -0.14 0.00 -0.86 0.00 0.00 30.24 28.12 1x40 n GLN 54 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 1x40 h LYS 55 N 0.00 0.27 0.00 2.61 3.64 0.75 -3.33 116.57 120.52 1x40 h LYS 55 Ca 0.00 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1x40 h LYS 55 Cb 0.37 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1x40 h LYS 55 CO 0.00 1.14 0.00 -0.84 -2.27 0.00 0.00 179.45 177.48 1x40 h ILE 56 N 0.07 0.00 0.00 2.00 3.07 -0.95 -3.45 117.51 118.25 1x40 h ILE 56 Ca -0.35 -0.18 0.00 0.00 1.55 0.00 0.00 64.86 65.88 1x40 h ILE 56 Cb 2.05 1.18 0.00 0.00 -0.27 0.00 0.00 36.82 39.77 1x40 h ILE 56 CO 0.13 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.84 1x40 n GLY 57 N -0.68 2.89 2.49 0.16 0.00 -1.24 -4.96 105.19 103.86 1x40 n GLY 57 Ca -0.02 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.29 1x40 n GLY 57 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x40 n ILE 58 N 0.00 0.00 0.15 -0.61 5.41 -1.15 -4.81 119.36 118.35 1x40 n ILE 58 Ca 0.00 0.00 -0.07 0.00 1.00 0.00 0.00 62.75 63.68 1x40 n ILE 58 Cb 0.00 -0.37 -0.04 0.00 -0.71 0.00 0.00 39.64 38.53 1x40 n ILE 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1x40 h SER 59 N 7.86 -0.38 -4.00 4.38 0.02 -1.89 -3.39 113.55 116.14 1x40 h SER 59 Ca -0.05 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.39 1x40 h SER 59 Cb 1.00 0.10 0.06 0.00 0.14 0.00 0.00 62.40 63.70 1x40 h SER 59 CO 0.93 0.06 0.49 -2.16 -1.14 0.00 0.00 176.83 175.01 1x40 s PRO 60 N -3.06 3.78 -0.19 3.45 0.04 -1.26 -4.99 135.00 132.77 1x40 s PRO 60 Ca -0.07 1.79 -0.15 0.00 0.04 0.00 0.00 61.00 62.60 1x40 s PRO 60 Cb 0.01 -2.43 -0.21 0.00 0.04 0.00 0.00 34.50 31.90 1x40 s PRO 60 CO 0.21 -0.53 0.20 2.41 0.04 0.00 0.00 177.00 179.33 1x40 n THR 61 N -0.43 1.61 -0.57 1.26 -1.04 -1.26 -4.04 114.28 109.82 1x40 n THR 61 Ca 0.07 -0.28 0.45 0.00 -2.04 0.00 0.00 64.05 62.25 1x40 n THR 61 Cb 0.48 -1.91 0.69 0.00 -1.82 0.00 0.00 70.33 67.76 1x40 n THR 61 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1x40 n GLY 62 N 1.63 -0.86 0.14 3.41 0.00 -1.26 0.22 105.19 108.47 1x40 n GLY 62 Ca -0.34 0.58 -0.23 0.00 0.00 0.00 0.00 46.02 46.02 1x40 n GLY 62 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1x40 h HIS 63 N 0.00 0.79 -0.31 1.61 -0.00 -2.00 -3.29 115.15 111.97 1x40 h HIS 63 Ca 0.78 -0.58 0.07 0.00 -0.00 0.00 0.00 60.37 60.65 1x40 h HIS 63 Cb 3.31 -0.03 -0.08 0.00 -0.00 0.00 0.00 27.41 30.61 1x40 h HIS 63 CO 0.00 1.61 -0.24 0.00 -0.00 0.00 0.00 177.93 179.30 1x40 h ARG 64 N 0.12 -0.21 0.32 2.45 3.08 0.26 -1.08 114.38 119.32 1x40 h ARG 64 Ca -0.30 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.76 1x40 h ARG 64 Cb 2.12 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 32.19 1x40 h ARG 64 CO 0.21 -0.14 -0.35 0.00 -1.07 0.00 0.00 179.97 178.62 1x40 h ARG 65 N -0.22 -0.69 -1.10 0.04 3.08 -1.64 -1.43 114.38 112.42 1x40 h ARG 65 Ca 0.16 0.05 0.30 0.00 0.07 0.00 0.00 59.98 60.56 1x40 h ARG 65 Cb 0.47 0.16 -0.08 0.00 0.08 0.00 0.00 29.97 30.60 1x40 h ARG 65 CO -0.43 -0.46 0.75 -0.09 -1.07 0.00 0.00 179.97 178.66 1x40 h ARG 66 N -0.71 0.21 0.15 0.04 2.43 -1.51 0.19 114.38 115.17 1x40 h ARG 66 Ca -0.02 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 1x40 h ARG 66 Cb 0.66 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1x40 h ARG 66 CO -0.08 0.14 -0.07 0.82 -1.51 0.00 0.00 179.97 179.26 1x40 h ILE 67 N 0.21 0.99 0.25 1.20 2.04 -0.20 -3.20 117.51 118.80 1x40 h ILE 67 Ca 0.58 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 1x40 h ILE 67 Cb 1.85 1.54 0.00 0.00 -0.74 0.00 0.00 36.82 39.47 1x40 h ILE 67 CO -0.18 0.21 -0.12 -0.07 0.00 0.00 0.00 178.15 177.99 1x40 h LEU 68 N -0.68 -0.28 -0.84 1.44 3.38 -0.20 -2.44 115.31 115.69 1x40 h LEU 68 Ca -0.02 -0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.00 1x40 h LEU 68 Cb 0.50 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.21 1x40 h LEU 68 CO 0.03 -0.14 -0.45 1.17 0.09 0.00 0.00 178.44 179.14 1x40 n LYS 69 N -5.20 -0.32 0.09 1.13 4.81 0.50 -0.13 118.16 119.04 1x40 n LYS 69 Ca -0.09 1.28 -0.13 0.00 -0.87 0.00 0.00 58.31 58.49 1x40 n LYS 69 Cb 0.17 -1.88 -0.07 0.00 0.02 0.00 0.00 35.03 33.27 1x40 n LYS 69 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1x40 h GLN 70 N 0.00 -0.14 -1.23 1.64 1.08 -1.53 -2.36 115.11 112.56 1x40 h GLN 70 Ca 0.18 0.01 0.40 0.00 -1.45 0.00 0.00 58.65 57.79 1x40 h GLN 70 Cb 0.39 0.03 -0.13 0.00 -0.05 0.00 0.00 27.48 27.72 1x40 h GLN 70 CO -0.80 -0.10 0.78 -0.07 -0.95 0.00 0.00 178.83 177.69 1x40 h LEU 71 N -0.15 0.30 0.35 1.46 3.38 -0.02 0.24 115.31 120.87 1x40 h LEU 71 Ca -0.01 0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1x40 h LEU 71 Cb 0.12 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1x40 h LEU 71 CO 0.02 -0.17 -0.17 1.56 0.09 0.00 0.00 178.44 179.77 1x40 h GLN 72 N 0.14 -0.46 -0.19 1.13 4.20 -0.66 -1.19 115.11 118.07 1x40 h GLN 72 Ca 0.79 0.03 0.02 0.00 0.06 0.00 0.00 58.65 59.55 1x40 h GLN 72 Cb 2.34 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 30.20 1x40 h GLN 72 CO -0.45 -0.14 0.04 0.82 -0.67 0.00 0.00 178.83 178.42 1x40 h ILE 73 N -0.85 0.92 0.46 2.54 2.04 -0.60 -2.30 117.51 119.71 1x40 h ILE 73 Ca -0.05 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1x40 h ILE 73 Cb 0.53 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1x40 h ILE 73 CO 0.08 0.02 -0.32 0.40 0.00 0.00 0.00 178.15 178.33 1x40 h ILE 74 N 0.12 0.00 -0.99 -0.67 2.04 -0.74 -2.90 117.51 114.36 1x40 h ILE 74 Ca 0.08 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.15 1x40 h ILE 74 Cb 0.08 0.00 -0.19 0.00 -0.74 0.00 0.00 36.82 35.97 1x40 h ILE 74 CO -0.11 0.00 -0.20 -0.07 0.00 0.00 0.00 178.15 177.77 1x40 h LEU 75 N -0.73 -0.84 -0.94 1.44 3.38 -1.19 0.46 115.31 116.89 1x40 h LEU 75 Ca -0.06 0.29 0.25 0.00 0.09 0.00 0.00 57.88 58.45 1x40 h LEU 75 Cb 0.60 0.59 -0.17 0.00 0.09 0.00 0.00 40.66 41.77 1x40 h LEU 75 CO 0.04 -0.33 0.02 -1.28 0.09 0.00 0.00 178.44 176.98 1x40 h SER 76 N 0.00 -0.45 0.05 -0.43 0.87 -1.20 -2.30 113.55 110.09 1x40 h SER 76 Ca 0.50 0.26 -0.00 0.00 -1.23 0.00 0.00 61.79 61.32 1x40 h SER 76 Cb 0.81 0.46 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 1x40 h SER 76 CO -1.00 -0.31 -0.02 0.11 -0.53 0.00 0.00 176.83 175.08 1x40 h LYS 77 N 0.04 -0.06 -3.97 2.24 1.57 -0.07 -3.42 116.57 112.88 1x40 h LYS 77 Ca 0.56 0.00 -0.44 0.00 -1.87 0.00 0.00 60.65 58.90 1x40 h LYS 77 Cb 1.11 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.38 1x40 h LYS 77 CO -0.87 -0.04 1.20 -1.33 -0.57 0.00 0.00 179.45 177.84 1x40 n MET 78 N -2.22 0.00 -2.91 3.15 2.81 -0.86 -4.82 117.12 112.27 1x40 n MET 78 Ca -0.01 0.00 -0.42 0.00 -1.81 0.00 0.00 57.70 55.46 1x40 n MET 78 Cb 0.03 -1.12 -0.05 0.00 -0.71 0.00 0.00 33.22 31.37 1x40 n MET 78 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1x40 s GLN 79 N 5.94 4.03 -0.53 0.03 -1.52 -1.26 -4.93 119.66 121.41 1x40 s GLN 79 Ca 0.97 0.71 -0.00 0.00 -1.95 0.00 0.00 55.36 55.09 1x40 s GLN 79 Cb -1.00 -3.71 0.45 0.00 -0.22 0.00 0.00 33.01 28.54 1x40 s GLN 79 CO 0.41 -0.65 1.97 -0.25 -0.25 0.00 0.00 175.29 176.51 1x40 n ASP 80 N 6.20 6.30 -4.80 5.90 8.00 -1.26 -4.98 116.55 131.91 1x40 n ASP 80 Ca 0.05 -3.56 -0.34 0.00 0.71 0.00 0.00 54.79 51.65 1x40 n ASP 80 Cb 0.48 -0.94 -0.03 0.00 -0.02 0.00 0.00 41.12 40.61 1x40 n ASP 80 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1x40 s ILE 81 N -3.84 3.80 0.70 0.53 -0.00 -1.26 -5.03 121.20 116.09 1x40 s ILE 81 Ca 0.55 1.06 -0.13 0.00 -0.00 0.00 0.00 60.65 62.13 1x40 s ILE 81 Cb 0.44 -3.44 0.02 0.00 -0.00 0.00 0.00 42.46 39.48 1x40 s ILE 81 CO 0.02 -0.30 1.10 -2.16 -0.00 0.00 0.00 174.94 173.61 1x40 s PRO 82 N -3.41 2.62 0.12 0.37 0.04 -1.26 -4.96 135.00 128.52 1x40 s PRO 82 Ca 0.67 1.31 -0.31 0.00 0.04 0.00 0.00 61.00 62.71 1x40 s PRO 82 Cb -0.16 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 1x40 s PRO 82 CO 0.23 -1.38 1.54 0.42 0.04 0.00 0.00 177.00 177.85 1x40 s ILE 83 N -2.53 2.95 -0.41 0.56 1.01 -1.26 -4.93 121.20 116.59 1x40 s ILE 83 Ca 0.65 0.61 0.05 0.00 0.00 0.00 0.00 60.65 61.96 1x40 s ILE 83 Cb -0.19 -3.39 0.43 0.00 0.01 0.00 0.00 42.46 39.32 1x40 s ILE 83 CO 0.46 0.03 1.19 -1.22 0.00 0.00 0.00 174.94 175.41 1x40 n TYR 84 N 4.44 3.18 -4.25 3.97 4.01 -1.26 -5.03 117.16 122.22 1x40 n TYR 84 Ca 0.14 -2.79 -0.14 0.00 -0.16 0.00 0.00 57.90 54.95 1x40 n TYR 84 Cb 0.40 -0.24 -0.10 0.00 -0.31 0.00 0.00 39.34 39.09 1x40 n TYR 84 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1x40 s ALA 85 N -3.59 1.42 -0.19 -0.72 0.00 -1.26 -5.08 121.76 112.34 1x40 s ALA 85 Ca 0.50 -1.77 -0.03 0.00 0.00 0.00 0.00 51.96 50.66 1x40 s ALA 85 Cb 0.41 1.28 -0.11 0.00 0.00 0.00 0.00 23.12 24.70 1x40 s ALA 85 CO -0.12 -0.55 -0.19 0.43 0.00 0.00 0.00 175.76 175.33 1x40 n SER 86 N -0.43 2.15 -0.15 0.00 7.64 -1.26 -5.13 113.62 116.44 1x40 n SER 86 Ca 0.02 0.02 0.01 0.00 1.01 0.00 0.00 58.87 59.93 1x40 n SER 86 Cb 0.66 -0.39 -0.01 0.00 -1.01 0.00 0.00 64.21 63.46 1x40 n SER 86 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x40 n GLY 87 N 2.33 -2.76 3.70 0.23 0.00 -1.26 -4.98 105.19 102.46 1x40 n GLY 87 Ca -0.34 -1.37 -0.29 0.00 0.00 0.00 0.00 46.02 44.01 1x40 n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x40 s PRO 88 N -3.39 0.99 0.72 1.61 0.04 -1.26 -5.04 135.00 128.68 1x40 s PRO 88 Ca 0.00 0.73 -0.11 0.00 0.04 0.00 0.00 61.00 61.66 1x40 s PRO 88 Cb 0.00 -1.79 0.02 0.00 0.04 0.00 0.00 34.50 32.78 1x40 s PRO 88 CO 0.00 -2.40 1.08 -1.54 0.04 0.00 0.00 177.00 174.18 1x40 s SER 89 N -3.43 5.23 0.43 6.66 1.04 -1.26 -5.09 113.70 117.28 1x40 s SER 89 Ca 0.64 1.33 0.05 0.00 0.48 0.00 0.00 55.95 58.45 1x40 s SER 89 Cb -0.18 -2.16 -0.06 0.00 0.10 0.00 0.00 66.02 63.72 1x40 s SER 89 CO 0.57 -1.50 0.02 -0.94 0.98 0.00 0.00 173.24 172.37 1x40 s SER 90 N -4.07 3.76 0.00 7.02 1.04 -1.26 -5.33 113.70 114.86 1x40 s SER 90 Ca 0.59 -1.46 0.00 0.00 0.48 0.00 0.00 55.95 55.56 1x40 s SER 90 Cb -0.13 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 65.91 1x40 s SER 90 CO 0.54 -0.59 0.28 0.61 0.98 0.00 0.00 173.24 175.05