#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 -0.45 0.29 1.61 1.04 -1.26 -5.17 113.70 109.77 1x40 s SER 2 Ca 0.00 0.92 -0.13 0.00 0.48 0.00 0.00 55.95 57.22 1x40 s SER 2 Cb 0.00 0.91 0.01 0.00 0.10 0.00 0.00 66.02 67.04 1x40 s SER 2 CO 0.00 -0.20 0.57 -0.44 0.98 0.00 0.00 173.24 174.15 1x40 s SER 3 N 1.69 0.09 -0.57 7.02 0.01 -1.26 -5.09 113.70 115.60 1x40 s SER 3 Ca -0.08 -1.02 -0.26 0.00 1.31 0.00 0.00 55.95 55.90 1x40 s SER 3 Cb -0.09 0.67 -0.08 0.00 0.21 0.00 0.00 66.02 66.73 1x40 s SER 3 CO -0.13 -1.30 2.37 -0.83 0.41 0.00 0.00 173.24 173.76 1x40 s GLY 4 N -3.05 -0.47 0.09 3.44 0.00 -1.26 -4.81 107.32 101.26 1x40 s GLY 4 Ca 0.21 -0.21 -0.26 0.00 0.00 0.00 0.00 44.72 44.46 1x40 s GLY 4 CO 0.11 4.11 1.15 -0.45 0.00 0.00 0.00 173.10 178.01 1x40 s SER 5 N 11.62 -0.02 1.01 1.64 0.15 -1.26 -5.16 113.70 121.68 1x40 s SER 5 Ca 0.94 -0.43 -0.12 0.00 0.70 0.00 0.00 55.95 57.04 1x40 s SER 5 Cb -0.16 0.34 0.15 0.00 -1.71 0.00 0.00 66.02 64.64 1x40 s SER 5 CO 0.22 -0.67 0.80 -0.24 1.20 0.00 0.00 173.24 174.55 1x40 n SER 6 N -1.01 -1.07 0.00 5.45 2.88 -1.26 -5.05 113.62 113.56 1x40 n SER 6 Ca -0.02 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 1x40 n SER 6 Cb 0.60 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 1x40 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x40 n GLY 7 N 0.96 3.23 3.16 0.46 0.00 -1.26 -5.05 105.19 106.68 1x40 n GLY 7 Ca 0.07 -1.13 -0.35 0.00 0.00 0.00 0.00 46.02 44.61 1x40 n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x40 n MET 8 N 0.00 -0.81 0.34 1.61 2.00 -1.26 -4.92 117.12 114.08 1x40 n MET 8 Ca 0.00 -0.23 -0.14 0.00 0.00 0.00 0.00 57.70 57.33 1x40 n MET 8 Cb 0.00 -1.39 -0.07 0.00 0.00 0.00 0.00 33.22 31.76 1x40 n MET 8 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1x40 h SER 9 N -1.56 -0.76 -3.27 7.83 0.87 -2.07 -3.44 113.55 111.15 1x40 h SER 9 Ca -0.47 0.02 -0.48 0.00 -1.23 0.00 0.00 61.79 59.63 1x40 h SER 9 Cb 1.37 0.20 -0.36 0.00 -0.44 0.00 0.00 62.40 63.16 1x40 h SER 9 CO 0.30 -0.38 -0.79 -0.44 -0.53 0.00 0.00 176.83 174.99 1x40 s SER 10 N -4.52 1.79 -0.21 6.23 0.01 -1.26 -5.10 113.70 110.63 1x40 s SER 10 Ca -0.13 -0.22 -0.29 0.00 1.31 0.00 0.00 55.95 56.62 1x40 s SER 10 Cb 0.01 -0.67 -0.02 0.00 0.21 0.00 0.00 66.02 65.55 1x40 s SER 10 CO 0.41 -0.11 1.56 0.54 0.41 0.00 0.00 173.24 176.05 1x40 s VAL 11 N 1.54 3.77 -0.12 3.43 0.11 -1.26 -4.90 120.40 122.96 1x40 s VAL 11 Ca 0.00 0.88 -0.21 0.00 -2.93 0.00 0.00 61.98 59.72 1x40 s VAL 11 Cb -0.13 -3.76 -0.19 0.00 -1.53 0.00 0.00 36.38 30.77 1x40 s VAL 11 CO -0.05 -0.29 0.59 0.77 -3.33 0.00 0.00 175.10 172.79 1x40 h SER 12 N 10.33 -0.01 -5.21 3.54 4.64 -1.97 -3.49 113.55 121.38 1x40 h SER 12 Ca -0.33 -0.72 -0.09 0.00 -0.47 0.00 0.00 61.79 60.18 1x40 h SER 12 Cb 1.15 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.11 1x40 h SER 12 CO 1.00 0.84 -0.32 -1.61 -0.87 0.00 0.00 176.83 175.87 1x40 s GLU 13 N -2.13 1.04 0.55 4.77 2.02 -1.26 -4.86 118.70 118.83 1x40 s GLU 13 Ca -0.14 -1.07 0.30 0.00 0.02 0.00 0.00 54.97 54.07 1x40 s GLU 13 Cb -0.02 0.37 1.46 0.00 0.10 0.00 0.00 34.13 36.04 1x40 s GLU 13 CO 0.51 -0.37 1.91 -0.24 0.02 0.00 0.00 175.26 177.09 1x40 h VAL 14 N 2.61 0.54 -2.45 2.63 3.04 -1.99 -3.42 116.25 117.20 1x40 h VAL 14 Ca -0.33 0.00 -0.60 0.00 -1.01 0.00 0.00 66.70 64.76 1x40 h VAL 14 Cb 1.22 0.61 0.15 0.00 -2.01 0.00 0.00 31.29 31.26 1x40 h VAL 14 CO 0.51 0.00 -0.42 -3.20 -1.01 0.00 0.00 177.57 173.45 1x40 n ASN 15 N -4.14 -0.97 -4.08 3.17 2.85 -1.26 -5.00 115.26 105.83 1x40 n ASN 15 Ca 0.14 0.87 -0.14 0.00 -0.11 0.00 0.00 54.58 55.34 1x40 n ASN 15 Cb 0.81 -1.12 -0.12 0.00 1.24 0.00 0.00 39.78 40.60 1x40 n ASN 15 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 1x40 s VAL 16 N -1.53 0.67 0.75 3.44 -7.23 -1.26 -5.00 120.40 110.25 1x40 s VAL 16 Ca 0.64 -1.11 -0.15 0.00 -1.81 0.00 0.00 61.98 59.55 1x40 s VAL 16 Cb -0.57 -0.71 0.05 0.00 0.56 0.00 0.00 36.38 35.71 1x40 s VAL 16 CO 0.58 -0.33 1.23 -0.62 -0.31 0.00 0.00 175.10 175.65 1x40 s ASP 17 N -1.57 3.97 0.31 4.85 -1.08 -1.26 -2.31 116.67 119.57 1x40 s ASP 17 Ca -0.08 2.44 0.00 0.00 -0.52 0.00 0.00 52.55 54.39 1x40 s ASP 17 Cb -0.10 -2.60 0.49 0.00 -1.46 0.00 0.00 42.92 39.26 1x40 s ASP 17 CO 0.01 -2.42 1.90 -0.29 0.52 0.00 0.00 175.17 174.88 1x40 h ILE 18 N -0.41 1.20 0.32 4.11 6.09 -0.53 -2.90 117.51 125.40 1x40 h ILE 18 Ca -0.48 -0.63 -0.00 0.00 -1.37 0.00 0.00 64.86 62.39 1x40 h ILE 18 Cb 1.31 0.52 -0.02 0.00 0.47 0.00 0.00 36.82 39.09 1x40 h ILE 18 CO 0.49 0.25 -0.31 0.50 -3.07 0.00 0.00 178.15 176.00 1x40 h LYS 19 N 0.81 -0.63 -0.91 2.19 1.63 -1.91 -1.03 116.57 116.72 1x40 h LYS 19 Ca 0.20 0.04 0.17 0.00 -0.85 0.00 0.00 60.65 60.21 1x40 h LYS 19 Cb 0.15 0.14 -0.07 0.00 -0.60 0.00 0.00 32.23 31.85 1x40 h LYS 19 CO -0.02 -0.42 0.58 0.22 -3.45 0.00 0.00 179.45 176.36 1x40 h ASP 20 N -0.66 0.59 0.07 4.20 1.82 -1.90 0.41 116.42 120.95 1x40 h ASP 20 Ca -0.02 0.05 -0.10 0.00 -0.39 0.00 0.00 57.03 56.57 1x40 h ASP 20 Cb 0.60 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 40.53 1x40 h ASP 20 CO -0.06 0.27 -0.32 0.15 -1.61 0.00 0.00 179.24 177.67 1x40 h PHE 21 N 0.61 0.42 0.00 0.28 3.57 -1.18 -2.65 116.94 117.99 1x40 h PHE 21 Ca 0.47 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.87 1x40 h PHE 21 Cb 0.88 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.52 1x40 h PHE 21 CO -0.00 0.65 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.58 1x40 h LEU 22 N 0.32 0.00 -1.16 0.59 3.38 0.55 -3.35 115.31 115.64 1x40 h LEU 22 Ca 0.04 0.00 0.38 0.00 0.09 0.00 0.00 57.88 58.39 1x40 h LEU 22 Cb 0.72 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.33 1x40 h LEU 22 CO 0.06 0.53 0.66 0.24 0.09 0.00 0.00 178.44 180.02 1x40 h MET 23 N -0.98 0.16 -0.95 1.13 2.86 -0.43 0.85 114.93 117.57 1x40 h MET 23 Ca 0.00 -0.01 0.13 0.00 -2.06 0.00 0.00 59.70 57.76 1x40 h MET 23 Cb 0.08 -0.04 -0.09 0.00 0.06 0.00 0.00 31.60 31.62 1x40 h MET 23 CO 0.00 0.11 0.58 0.77 1.06 0.00 0.00 176.91 179.42 1x40 h SER 24 N 0.17 0.81 -0.28 1.22 0.02 -1.60 0.12 113.55 114.01 1x40 h SER 24 Ca 0.79 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.80 1x40 h SER 24 Cb 2.12 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 64.56 1x40 h SER 24 CO -0.57 0.41 0.00 2.30 -1.14 0.00 0.00 176.83 177.83 1x40 n ILE 25 N -4.69 0.34 -3.03 3.27 -5.35 0.27 -4.95 119.36 105.21 1x40 n ILE 25 Ca 0.18 -0.67 -0.15 0.00 -0.27 0.00 0.00 62.75 61.84 1x40 n ILE 25 Cb 0.38 1.16 0.04 0.00 -1.74 0.00 0.00 39.64 39.48 1x40 n ILE 25 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1x40 n ASN 26 N 1.46 -4.70 -0.31 7.28 2.85 0.31 -4.92 115.26 117.23 1x40 n ASN 26 Ca 0.18 -0.29 0.06 0.00 -0.11 0.00 0.00 54.58 54.42 1x40 n ASN 26 Cb 0.61 -3.39 0.12 0.00 1.24 0.00 0.00 39.78 38.36 1x40 n ASN 26 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1x40 n LEU 27 N -3.13 2.65 0.30 1.20 7.99 -0.84 -4.69 117.00 120.48 1x40 n LEU 27 Ca -0.02 -2.56 0.11 0.00 -0.01 0.00 0.00 56.01 53.53 1x40 n LEU 27 Cb 0.55 -0.29 0.58 0.00 -0.11 0.00 0.00 43.42 44.15 1x40 n LEU 27 CO 0.37 0.64 1.04 1.05 -1.51 0.00 0.00 177.39 178.98 1x40 h GLU 28 N 0.70 0.00 -0.23 3.23 -0.00 -1.90 0.13 114.58 116.52 1x40 h GLU 28 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 59.36 59.43 1x40 h GLU 28 Cb 0.89 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.63 1x40 h GLU 28 CO 0.04 0.00 0.21 -0.56 -0.00 0.00 0.00 179.01 178.71 1x40 h GLN 29 N 0.00 0.00 -0.00 1.06 3.07 -1.95 0.32 115.11 117.60 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 0.90 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.46 1x40 h GLN 29 CO 0.00 0.00 -0.55 0.66 0.09 0.00 0.00 178.83 179.03 1x40 n TYR 30 N -4.00 0.00 -0.38 0.06 4.01 0.46 -4.38 117.16 112.93 1x40 n TYR 30 Ca 0.03 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.76 1x40 n TYR 30 Cb 0.35 -0.19 0.04 0.00 -0.31 0.00 0.00 39.34 39.23 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 -1.38 -0.64 -0.14 7.72 7.94 0.11 0.30 117.00 130.91 1x40 n LEU 31 Ca 0.06 1.71 -0.04 0.00 -1.11 0.00 0.00 56.01 56.63 1x40 n LEU 31 Cb 0.34 -0.39 0.04 0.00 0.53 0.00 0.00 43.42 43.94 1x40 n LEU 31 CO 0.35 -1.53 0.82 0.25 -1.11 0.00 0.00 177.39 176.17 1x40 h LEU 32 N 0.00 -0.26 -0.41 -1.96 7.12 -1.76 -0.94 115.31 117.10 1x40 h LEU 32 Ca 0.34 0.11 0.07 0.00 0.13 0.00 0.00 57.88 58.53 1x40 h LEU 32 Cb 0.58 0.22 -0.06 0.00 -0.53 0.00 0.00 40.66 40.87 1x40 h LEU 32 CO -0.97 -0.09 0.04 0.45 -0.13 0.00 0.00 178.44 177.74 1x40 h HIS 33 N 0.07 0.06 0.54 1.25 3.86 -0.44 -0.30 115.15 120.19 1x40 h HIS 33 Ca 0.22 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.44 1x40 h HIS 33 Cb 0.33 0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 1x40 h HIS 33 CO -0.32 -0.03 -0.38 0.74 0.86 0.00 0.00 177.93 178.80 1x40 h PHE 34 N 0.16 -1.01 0.10 2.45 -1.00 -0.27 -1.57 116.94 115.80 1x40 h PHE 34 Ca 0.20 -0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.98 1x40 h PHE 34 Cb 0.26 0.37 -0.03 0.00 3.61 0.00 0.00 35.95 40.16 1x40 h PHE 34 CO -0.23 -0.56 -0.40 0.45 -1.61 0.00 0.00 178.31 175.96 1x40 h HIS 35 N -0.88 -1.15 -0.97 -0.55 3.86 -0.93 -0.57 115.15 113.95 1x40 h HIS 35 Ca -0.06 0.03 0.30 0.00 -1.16 0.00 0.00 60.37 59.48 1x40 h HIS 35 Cb 0.74 0.49 -0.15 0.00 1.06 0.00 0.00 27.41 29.55 1x40 h HIS 35 CO -0.14 -0.45 0.44 0.93 0.86 0.00 0.00 177.93 179.57 1x40 h GLU 36 N -0.58 0.24 -0.02 2.45 4.39 -1.04 1.30 114.58 121.32 1x40 h GLU 36 Ca -0.01 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.60 1x40 h GLU 36 Cb 0.58 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 1x40 h GLU 36 CO -0.21 0.16 -0.34 1.03 -1.16 0.00 0.00 179.01 178.48 1x40 h SER 37 N 0.24 0.04 0.00 1.42 0.87 -0.22 -3.46 113.55 112.43 1x40 h SER 37 Ca 0.69 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 61.24 1x40 h SER 37 Cb 1.55 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.50 1x40 h SER 37 CO -0.65 0.38 0.00 0.61 -0.53 0.00 0.00 176.83 176.64 1x40 n GLY 38 N -0.51 1.11 2.92 5.77 0.00 0.45 -5.10 105.19 109.83 1x40 n GLY 38 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 2.93 -0.13 1.61 0.08 -0.55 -4.97 117.98 114.96 1x40 s PHE 39 Ca 0.00 -2.43 -0.17 0.00 0.12 0.00 0.00 56.93 54.45 1x40 s PHE 39 Cb 0.00 -2.35 -0.25 0.00 -0.57 0.00 0.00 43.02 39.85 1x40 s PHE 39 CO 0.00 -0.90 0.49 1.79 -0.10 0.00 0.00 175.22 176.50 1x40 h THR 40 N 6.59 1.03 -0.60 0.64 1.35 -1.89 -3.28 112.91 116.75 1x40 h THR 40 Ca -0.09 -2.35 -0.67 0.00 -0.55 0.00 0.00 66.41 62.75 1x40 h THR 40 Cb 1.03 2.65 -0.13 0.00 -1.73 0.00 0.00 68.15 69.97 1x40 h THR 40 CO 0.49 0.64 -0.52 0.42 -0.25 0.00 0.00 175.52 176.29 1x40 s THR 41 N -2.44 1.33 0.23 6.82 -4.23 -1.26 0.17 115.64 116.26 1x40 s THR 41 Ca -0.22 -1.98 -0.02 0.00 -1.18 0.00 0.00 61.69 58.29 1x40 s THR 41 Cb 0.04 -2.31 0.04 0.00 1.34 0.00 0.00 72.50 71.61 1x40 s THR 41 CO 0.73 0.00 1.65 0.58 -0.54 0.00 0.00 174.62 177.04 1x40 h VAL 42 N 1.40 1.27 -0.16 2.29 2.07 -1.70 -2.66 116.25 118.76 1x40 h VAL 42 Ca -0.44 -1.33 0.05 0.00 0.82 0.00 0.00 66.70 65.80 1x40 h VAL 42 Cb 1.30 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 1x40 h VAL 42 CO 0.75 0.44 0.17 0.50 0.02 0.00 0.00 177.57 179.44 1x40 h LYS 43 N 0.59 0.00 0.00 1.57 1.63 -1.97 0.33 116.57 118.72 1x40 h LYS 43 Ca 0.08 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 1x40 h LYS 43 Cb 0.72 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.35 1x40 h LYS 43 CO 0.06 0.00 0.00 -0.25 -3.45 0.00 0.00 179.45 175.81 1x40 n ASP 44 N -3.91 0.37 -1.60 4.20 8.00 -1.00 -2.82 116.55 119.79 1x40 n ASP 44 Ca 0.01 0.56 -0.08 0.00 0.71 0.00 0.00 54.79 55.99 1x40 n ASP 44 Cb 0.29 -0.65 0.23 0.00 -0.02 0.00 0.00 41.12 40.97 1x40 n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x40 h ALA 46 N 1.47 0.98 0.00 0.00 0.00 -1.58 -3.17 119.26 116.96 1x40 h ALA 46 Ca 0.32 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 1x40 h ALA 46 Cb 2.11 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.87 1x40 h ALA 46 CO 0.64 0.12 -1.91 0.00 0.00 0.00 0.00 179.25 178.09 1x40 n ALA 47 N -2.14 2.32 -1.73 0.00 0.00 -1.26 -4.99 120.51 112.72 1x40 n ALA 47 Ca 0.01 -0.63 -0.42 0.00 0.00 0.00 0.00 53.44 52.40 1x40 n ALA 47 Cb 0.42 -0.44 -0.01 0.00 0.00 0.00 0.00 19.45 19.42 1x40 n ALA 47 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1x40 n ILE 48 N -2.27 1.54 -4.22 0.00 5.41 -1.20 -5.01 119.36 113.61 1x40 n ILE 48 Ca -0.11 -0.39 -0.13 0.00 1.00 0.00 0.00 62.75 63.13 1x40 n ILE 48 Cb 0.64 -1.76 -0.10 0.00 -0.71 0.00 0.00 39.64 37.71 1x40 n ILE 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1x40 s ASN 49 N 0.06 0.39 0.22 4.38 4.22 -1.26 -4.97 114.94 117.98 1x40 s ASN 49 Ca 0.59 -1.40 -0.00 0.00 -2.14 0.00 0.00 52.86 49.91 1x40 s ASN 49 Cb -0.54 0.35 0.50 0.00 1.28 0.00 0.00 41.25 42.84 1x40 s ASN 49 CO 0.57 -0.83 1.14 0.47 -2.04 0.00 0.00 177.10 176.40 1x40 n ASP 50 N -0.35 -0.13 -0.02 3.54 9.92 -1.26 0.16 116.55 128.42 1x40 n ASP 50 Ca 0.02 1.24 -0.10 0.00 -0.53 0.00 0.00 54.79 55.42 1x40 n ASP 50 Cb 0.66 -0.43 -0.04 0.00 -0.64 0.00 0.00 41.12 40.67 1x40 n ASP 50 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1x40 h SER 51 N 0.00 -0.01 -0.52 -2.24 0.02 -1.98 -1.86 113.55 106.96 1x40 h SER 51 Ca 0.42 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.41 1x40 h SER 51 Cb 0.82 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.36 1x40 h SER 51 CO -0.70 0.02 0.33 0.25 -1.14 0.00 0.00 176.83 175.58 1x40 h LEU 52 N 0.07 0.54 -0.53 5.07 7.12 0.12 0.23 115.31 127.94 1x40 h LEU 52 Ca 0.06 -0.00 0.07 0.00 0.13 0.00 0.00 57.88 58.14 1x40 h LEU 52 Cb 0.06 -0.12 -0.06 0.00 -0.53 0.00 0.00 40.66 40.01 1x40 h LEU 52 CO -0.09 0.39 0.20 -0.07 -0.13 0.00 0.00 178.44 178.73 1x40 h LEU 53 N 0.65 0.21 -0.01 2.25 -0.00 -0.74 0.16 115.31 117.83 1x40 h LEU 53 Ca 0.20 0.06 0.00 0.00 -0.00 0.00 0.00 57.88 58.14 1x40 h LEU 53 Cb -0.02 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 40.68 1x40 h LEU 53 CO -0.07 0.14 0.00 0.00 -0.00 0.00 0.00 178.44 178.51 1x40 n GLN 54 N -4.99 0.02 -0.01 1.13 10.64 -0.73 -2.80 117.38 120.64 1x40 n GLN 54 Ca 0.06 0.08 -0.08 0.00 -1.83 0.00 0.00 57.00 55.23 1x40 n GLN 54 Cb 0.21 -1.53 -0.13 0.00 -0.86 0.00 0.00 30.24 27.93 1x40 n GLN 54 CO 0.00 0.00 0.00 0.87 -1.83 0.00 0.00 177.06 176.10 1x40 h LYS 55 N 0.00 0.00 -0.02 2.61 1.57 0.13 -3.35 116.57 117.52 1x40 h LYS 55 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1x40 h LYS 55 Cb 0.46 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1x40 h LYS 55 CO 0.00 0.55 -0.66 -0.84 -0.57 0.00 0.00 179.45 177.93 1x40 h ILE 56 N 0.00 1.45 0.00 1.86 3.07 -0.80 -3.47 117.51 119.62 1x40 h ILE 56 Ca -0.24 -2.21 0.00 0.00 1.55 0.00 0.00 64.86 63.96 1x40 h ILE 56 Cb 1.96 2.18 0.00 0.00 -0.27 0.00 0.00 36.82 40.68 1x40 h ILE 56 CO 0.08 0.64 0.00 0.61 -1.05 0.00 0.00 178.15 178.43 1x40 n GLY 57 N 0.38 2.02 2.40 0.16 0.00 -1.22 -4.99 105.19 103.93 1x40 n GLY 57 Ca -0.02 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 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 0.14 -0.61 5.41 -1.12 -4.81 119.36 118.37 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 -0.35 -0.03 0.00 -0.71 0.00 0.00 39.64 38.54 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 7.52 -0.38 -3.97 4.38 0.02 -1.90 -3.39 113.55 115.83 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 0.96 0.10 0.06 0.00 0.14 0.00 0.00 62.40 63.66 1x40 h SER 59 CO 0.89 0.07 0.50 -2.16 -1.14 0.00 0.00 176.83 174.99 1x40 s PRO 60 N -3.02 3.92 -0.13 3.45 0.04 -1.26 -4.98 135.00 133.01 1x40 s PRO 60 Ca -0.07 1.84 -0.17 0.00 0.04 0.00 0.00 61.00 62.64 1x40 s PRO 60 Cb 0.01 -2.56 -0.25 0.00 0.04 0.00 0.00 34.50 31.73 1x40 s PRO 60 CO 0.20 -0.44 0.47 1.15 0.04 0.00 0.00 177.00 178.43 1x40 h THR 61 N 2.14 1.03 -1.35 1.26 2.02 -2.01 -3.34 112.91 112.65 1x40 h THR 61 Ca -0.49 -2.34 0.39 0.00 0.77 0.00 0.00 66.41 64.74 1x40 h THR 61 Cb 1.24 2.63 -0.05 0.00 -1.74 0.00 0.00 68.15 70.23 1x40 h THR 61 CO 0.61 0.62 1.29 1.23 0.37 0.00 0.00 175.52 179.64 1x40 h GLY 62 N -0.17 0.00 1.07 2.16 0.00 -2.01 1.64 103.07 105.75 1x40 h GLY 62 Ca -0.30 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.70 1x40 h GLY 62 CO -0.01 0.00 -1.65 0.45 0.00 0.00 0.00 176.54 175.33 1x40 h HIS 63 N 0.00 0.54 -0.05 5.60 -0.00 -1.99 -3.29 115.15 115.96 1x40 h HIS 63 Ca 0.64 -0.39 0.04 0.00 -0.00 0.00 0.00 60.37 60.65 1x40 h HIS 63 Cb 3.21 -0.02 -0.05 0.00 -0.00 0.00 0.00 27.41 30.55 1x40 h HIS 63 CO 0.00 1.50 -0.28 0.00 -0.00 0.00 0.00 177.93 179.15 1x40 h ARG 64 N 0.08 -0.39 0.47 2.45 3.08 0.23 -1.67 114.38 118.63 1x40 h ARG 64 Ca -0.29 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.77 1x40 h ARG 64 Cb 2.05 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 32.18 1x40 h ARG 64 CO 0.16 -0.26 -0.39 0.00 -1.07 0.00 0.00 179.97 178.42 1x40 h ARG 65 N -0.40 -0.80 -1.00 0.04 3.08 -1.66 -0.64 114.38 112.99 1x40 h ARG 65 Ca 0.08 0.05 0.40 0.00 0.07 0.00 0.00 59.98 60.58 1x40 h ARG 65 Cb 0.51 0.18 -0.17 0.00 0.08 0.00 0.00 29.97 30.57 1x40 h ARG 65 CO -0.27 -0.54 0.55 -0.09 -1.07 0.00 0.00 179.97 178.55 1x40 h ARG 66 N -0.83 0.05 0.19 0.04 2.43 -1.59 0.36 114.38 115.03 1x40 h ARG 66 Ca -0.06 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 1x40 h ARG 66 Cb 0.70 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1x40 h ARG 66 CO -0.00 0.04 -0.09 0.82 -1.51 0.00 0.00 179.97 179.22 1x40 h ILE 67 N 0.05 0.90 0.61 1.20 2.04 -0.72 -3.17 117.51 118.44 1x40 h ILE 67 Ca 0.83 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1x40 h ILE 67 Cb 2.16 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 39.62 1x40 h ILE 67 CO -0.74 0.19 -0.41 -0.07 0.00 0.00 0.00 178.15 177.12 1x40 h LEU 68 N -0.72 -1.04 -0.84 1.44 3.38 0.10 -1.63 115.31 116.01 1x40 h LEU 68 Ca -0.03 0.06 0.22 0.00 0.09 0.00 0.00 57.88 58.23 1x40 h LEU 68 Cb 0.50 0.31 -0.16 0.00 0.09 0.00 0.00 40.66 41.40 1x40 h LEU 68 CO 0.04 -0.62 -0.01 1.17 0.09 0.00 0.00 178.44 179.12 1x40 n LYS 69 N -5.54 -0.07 -0.10 1.13 3.00 0.92 0.16 118.16 117.66 1x40 n LYS 69 Ca -0.13 1.27 -0.13 0.00 -0.00 0.00 0.00 58.31 59.32 1x40 n LYS 69 Cb 0.42 -2.00 -0.04 0.00 0.00 0.00 0.00 35.03 33.42 1x40 n LYS 69 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1x40 h GLN 70 N 0.00 0.75 -0.74 1.64 1.08 -1.45 -2.86 115.11 113.53 1x40 h GLN 70 Ca 0.50 -0.38 0.09 0.00 -1.45 0.00 0.00 58.65 57.40 1x40 h GLN 70 Cb 1.01 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 28.37 1x40 h GLN 70 CO -0.80 1.00 0.40 -0.07 -0.95 0.00 0.00 178.83 178.41 1x40 h LEU 71 N 0.51 0.55 -0.15 1.46 3.38 0.25 0.11 115.31 121.43 1x40 h LEU 71 Ca 0.06 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1x40 h LEU 71 Cb 0.85 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1x40 h LEU 71 CO 0.07 0.33 0.07 1.56 0.09 0.00 0.00 178.44 180.56 1x40 h GLN 72 N 0.69 0.21 -0.50 1.13 1.08 -0.94 0.15 115.11 116.93 1x40 h GLN 72 Ca 0.35 -0.03 -0.00 0.00 -1.45 0.00 0.00 58.65 57.52 1x40 h GLN 72 Cb 0.32 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 1x40 h GLN 72 CO -0.24 0.27 0.29 0.82 -0.95 0.00 0.00 178.83 179.03 1x40 h ILE 73 N 0.10 1.16 0.25 2.54 2.04 -1.18 -0.86 117.51 121.57 1x40 h ILE 73 Ca 0.05 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1x40 h ILE 73 Cb 0.13 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1x40 h ILE 73 CO -0.01 0.16 -0.12 0.40 0.00 0.00 0.00 178.15 178.59 1x40 h ILE 74 N 0.67 0.00 -0.97 -0.67 2.04 -0.67 -2.94 117.51 114.97 1x40 h ILE 74 Ca 0.18 -0.12 0.30 0.00 1.00 0.00 0.00 64.86 66.22 1x40 h ILE 74 Cb 0.01 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 35.94 1x40 h ILE 74 CO -0.03 0.00 0.46 -0.07 0.00 0.00 0.00 178.15 178.51 1x40 h LEU 75 N -0.46 0.34 -1.42 1.44 3.38 -0.76 0.92 115.31 118.73 1x40 h LEU 75 Ca -0.03 0.20 0.07 0.00 0.09 0.00 0.00 57.88 58.20 1x40 h LEU 75 Cb 0.26 0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1x40 h LEU 75 CO 0.06 -0.17 0.46 0.28 0.09 0.00 0.00 178.44 179.16 1x40 h SER 76 N 0.26 0.61 -0.02 -0.43 0.02 -1.16 -2.44 113.55 110.40 1x40 h SER 76 Ca 0.69 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.63 1x40 h SER 76 Cb 1.55 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.96 1x40 h SER 76 CO -0.64 0.39 -0.05 0.11 -1.14 0.00 0.00 176.83 175.50 1x40 h LYS 77 N 0.70 0.07 -0.20 3.45 1.57 0.10 -3.04 116.57 119.22 1x40 h LYS 77 Ca 0.30 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 59.09 1x40 h LYS 77 Cb 0.29 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1x40 h LYS 77 CO -0.10 0.63 0.43 0.52 -0.57 0.00 0.00 179.45 180.36 1x40 h MET 78 N -0.47 0.00 0.00 3.15 2.86 -0.94 -3.42 114.93 116.11 1x40 h MET 78 Ca 0.00 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.37 1x40 h MET 78 Cb 0.63 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.29 1x40 h MET 78 CO 0.01 0.00 -0.06 0.00 1.06 0.00 0.00 176.91 177.92 1x40 n GLN 79 N -3.25 0.84 -4.14 1.72 10.64 -1.00 -4.63 117.38 117.56 1x40 n GLN 79 Ca 0.03 -1.73 -0.32 0.00 -1.83 0.00 0.00 57.00 53.14 1x40 n GLN 79 Cb 0.53 -0.06 -0.03 0.00 -0.86 0.00 0.00 30.24 29.82 1x40 n GLN 79 CO 0.00 0.00 0.00 -3.47 -1.83 0.00 0.00 177.06 171.76 1x40 n ASP 80 N -2.49 -2.10 -4.51 2.61 2.03 -1.26 -4.95 116.55 105.88 1x40 n ASP 80 Ca 0.07 -1.02 -0.30 0.00 0.52 0.00 0.00 54.79 54.06 1x40 n ASP 80 Cb 0.33 -2.80 -0.11 0.00 -0.72 0.00 0.00 41.12 37.82 1x40 n ASP 80 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1x40 s ILE 81 N -3.57 2.99 0.76 5.18 -5.25 -1.26 -5.09 121.20 114.96 1x40 s ILE 81 Ca 0.46 -1.39 -0.11 0.00 -0.99 0.00 0.00 60.65 58.62 1x40 s ILE 81 Cb -0.25 -2.36 0.05 0.00 2.95 0.00 0.00 42.46 42.85 1x40 s ILE 81 CO 0.92 0.14 1.09 -2.16 -1.79 0.00 0.00 174.94 173.14 1x40 s PRO 82 N -2.06 2.29 -0.11 0.37 0.04 -1.26 -4.97 135.00 129.29 1x40 s PRO 82 Ca 0.18 1.19 -0.30 0.00 0.04 0.00 0.00 61.00 62.12 1x40 s PRO 82 Cb -0.11 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.51 1x40 s PRO 82 CO 0.10 -1.62 1.22 0.42 0.04 0.00 0.00 177.00 177.17 1x40 s ILE 83 N -2.85 4.28 -0.28 0.56 1.01 -1.26 -4.99 121.20 117.66 1x40 s ILE 83 Ca 0.62 1.58 -0.20 0.00 0.00 0.00 0.00 60.65 62.64 1x40 s ILE 83 Cb -0.17 -4.02 0.13 0.00 0.01 0.00 0.00 42.46 38.40 1x40 s ILE 83 CO 0.55 -0.07 0.97 -0.72 0.00 0.00 0.00 174.94 175.67 1x40 s TYR 84 N 2.82 -0.58 0.18 3.97 1.13 -1.26 -5.18 117.35 118.43 1x40 s TYR 84 Ca 0.55 1.27 0.08 0.00 -1.41 0.00 0.00 57.07 57.56 1x40 s TYR 84 Cb -0.23 0.38 -0.04 0.00 -1.10 0.00 0.00 41.96 40.97 1x40 s TYR 84 CO 0.18 -0.28 -0.07 0.00 -2.51 0.00 0.00 175.55 172.86 1x40 s ALA 85 N 0.84 3.00 0.06 9.51 0.00 -1.26 -5.05 121.76 128.86 1x40 s ALA 85 Ca -0.03 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 50.49 1x40 s ALA 85 Cb -0.04 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.28 1x40 s ALA 85 CO -0.11 0.48 0.00 0.45 0.00 0.00 0.00 175.76 176.58 1x40 n SER 86 N 0.03 0.44 0.00 0.00 2.88 -1.26 -5.05 113.62 110.67 1x40 n SER 86 Ca -0.11 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1x40 n SER 86 Cb 0.55 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 1x40 n SER 86 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x40 n GLY 87 N 3.01 1.20 3.77 0.46 0.00 -1.26 -4.57 105.19 107.81 1x40 n GLY 87 Ca 0.00 0.60 -0.38 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 4.00 1.00 1.61 0.04 -1.26 -4.99 135.00 135.40 1x40 s PRO 88 Ca 0.00 1.87 -0.16 0.00 0.04 0.00 0.00 61.00 62.76 1x40 s PRO 88 Cb 0.00 -2.65 0.01 0.00 0.04 0.00 0.00 34.50 31.90 1x40 s PRO 88 CO 0.00 -0.38 0.02 0.45 0.04 0.00 0.00 177.00 177.13 1x40 n SER 89 N 0.00 -2.79 0.00 6.66 2.88 -1.26 -4.98 113.62 114.13 1x40 n SER 89 Ca 0.05 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.76 1x40 n SER 89 Cb 0.46 -1.04 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 1x40 n SER 89 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x40 n SER 90 N -0.44 0.04 0.00 -3.46 2.88 -1.26 -5.18 113.62 106.21 1x40 n SER 90 Ca 0.03 0.01 0.03 0.00 -1.33 0.00 0.00 58.87 57.61 1x40 n SER 90 Cb 0.57 -0.01 0.15 0.00 -0.75 0.00 0.00 64.21 64.17 1x40 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42