#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 6.31 0.19 1.61 0.01 -1.26 -5.11 113.70 115.45 1x40 s SER 2 Ca 0.00 0.44 0.07 0.00 1.31 0.00 0.00 55.95 57.77 1x40 s SER 2 Cb 0.00 -2.03 -0.05 0.00 0.21 0.00 0.00 66.02 64.15 1x40 s SER 2 CO 0.00 0.40 -0.14 -0.44 0.41 0.00 0.00 173.24 173.47 1x40 s SER 3 N -0.96 2.40 0.00 2.44 0.01 -1.26 -5.10 113.70 111.22 1x40 s SER 3 Ca 0.15 -1.00 0.00 0.00 1.31 0.00 0.00 55.95 56.41 1x40 s SER 3 Cb -0.12 -0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.00 1x40 s SER 3 CO 0.04 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.11 1x40 n GLY 4 N -0.25 0.80 4.25 3.44 0.00 -1.26 -5.01 105.19 107.16 1x40 n GLY 4 Ca -0.09 0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 1x40 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x40 n SER 5 N 0.00 -3.19 -4.07 1.61 2.88 -1.26 -4.91 113.62 104.69 1x40 n SER 5 Ca 0.00 -1.02 -0.33 0.00 -1.33 0.00 0.00 58.87 56.19 1x40 n SER 5 Cb 0.00 -2.62 -0.14 0.00 -0.75 0.00 0.00 64.21 60.70 1x40 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x40 s SER 6 N -3.26 4.84 0.00 -3.46 0.15 -1.26 -4.72 113.70 105.99 1x40 s SER 6 Ca 0.76 -1.92 0.00 0.00 0.70 0.00 0.00 55.95 55.49 1x40 s SER 6 Cb -0.42 -1.67 0.00 0.00 -1.71 0.00 0.00 66.02 62.22 1x40 s SER 6 CO 0.93 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 175.61 1x40 n GLY 7 N 4.39 0.73 0.27 9.45 0.00 -1.26 -4.91 105.19 113.86 1x40 n GLY 7 Ca -0.02 -0.33 0.01 0.00 0.00 0.00 0.00 46.02 45.68 1x40 n GLY 7 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1x40 h MET 8 N 0.00 -0.01 -1.88 1.61 1.85 -2.03 0.19 114.93 114.67 1x40 h MET 8 Ca 0.00 0.00 -0.18 0.00 -0.61 0.00 0.00 59.70 58.91 1x40 h MET 8 Cb 0.00 0.00 -0.07 0.00 0.43 0.00 0.00 31.60 31.96 1x40 h MET 8 CO 0.00 -0.00 0.06 0.45 -0.40 0.00 0.00 176.91 177.01 1x40 n SER 9 N -5.48 5.73 -4.53 1.39 2.88 -1.26 -4.92 113.62 107.44 1x40 n SER 9 Ca 0.09 -2.68 -0.44 0.00 -1.33 0.00 0.00 58.87 54.51 1x40 n SER 9 Cb 0.37 -1.19 -0.05 0.00 -0.75 0.00 0.00 64.21 62.59 1x40 n SER 9 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1x40 n SER 10 N 1.37 2.49 -4.40 -3.46 3.41 0.67 -4.88 113.62 108.83 1x40 n SER 10 Ca 0.23 0.12 -0.33 0.00 -0.26 0.00 0.00 58.87 58.63 1x40 n SER 10 Cb 0.62 -1.42 -0.14 0.00 -0.26 0.00 0.00 64.21 63.01 1x40 n SER 10 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1x40 s VAL 11 N 8.86 2.83 0.27 -3.33 0.11 -1.26 -5.06 120.40 122.82 1x40 s VAL 11 Ca 1.05 -0.78 -0.30 0.00 -2.93 0.00 0.00 61.98 59.02 1x40 s VAL 11 Cb -0.54 -2.12 -0.13 0.00 -1.53 0.00 0.00 36.38 32.06 1x40 s VAL 11 CO 0.39 0.56 1.39 -1.20 -3.33 0.00 0.00 175.10 172.92 1x40 n SER 12 N 2.84 2.86 -3.21 3.54 7.64 -1.26 -4.83 113.62 121.21 1x40 n SER 12 Ca -0.18 1.16 -0.33 0.00 1.01 0.00 0.00 58.87 60.54 1x40 n SER 12 Cb 0.52 -1.46 -0.01 0.00 -1.01 0.00 0.00 64.21 62.25 1x40 n SER 12 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1x40 n GLU 13 N 1.62 0.00 -0.05 1.43 0.28 -1.26 -4.90 120.64 117.76 1x40 n GLU 13 Ca 0.09 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 57.05 1x40 n GLU 13 Cb 0.33 -0.74 -0.08 0.00 1.43 0.00 0.00 31.44 32.38 1x40 n GLU 13 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 1x40 n VAL 14 N -0.49 0.65 -1.88 3.84 3.14 -1.26 -4.99 118.33 117.34 1x40 n VAL 14 Ca 0.10 -0.43 -0.42 0.00 -2.96 0.00 0.00 64.34 60.63 1x40 n VAL 14 Cb 0.26 -0.64 -0.03 0.00 -1.06 0.00 0.00 33.84 32.37 1x40 n VAL 14 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 1x40 s ASN 15 N -4.19 6.54 0.06 6.55 3.84 -1.26 -5.00 114.94 121.47 1x40 s ASN 15 Ca -0.05 2.67 0.03 0.00 0.21 0.00 0.00 52.86 55.72 1x40 s ASN 15 Cb 0.03 -2.59 -0.04 0.00 -0.55 0.00 0.00 41.25 38.10 1x40 s ASN 15 CO 0.43 -0.87 0.03 -0.69 -2.79 0.00 0.00 177.10 173.21 1x40 s VAL 16 N 1.31 4.25 0.05 -5.21 1.01 -1.26 -5.04 120.40 115.51 1x40 s VAL 16 Ca 0.72 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 61.59 1x40 s VAL 16 Cb -0.45 -3.00 -0.05 0.00 0.00 0.00 0.00 36.38 32.88 1x40 s VAL 16 CO 0.32 0.19 1.19 -0.62 0.00 0.00 0.00 175.10 176.17 1x40 s ASP 17 N -2.15 7.09 0.57 3.32 2.15 -1.26 -2.37 116.67 124.02 1x40 s ASP 17 Ca 0.25 1.98 0.41 0.00 0.43 0.00 0.00 52.55 55.63 1x40 s ASP 17 Cb -0.12 -2.58 1.47 0.00 -0.30 0.00 0.00 42.92 41.40 1x40 s ASP 17 CO 0.18 -0.47 1.53 -0.29 -0.17 0.00 0.00 175.17 175.95 1x40 h ILE 18 N 4.57 0.06 0.27 4.11 6.09 -0.61 0.46 117.51 132.47 1x40 h ILE 18 Ca -0.41 0.00 -0.01 0.00 -1.37 0.00 0.00 64.86 63.07 1x40 h ILE 18 Cb 1.21 0.08 0.00 0.00 0.47 0.00 0.00 36.82 38.58 1x40 h ILE 18 CO 0.81 0.00 -0.13 0.50 -3.07 0.00 0.00 178.15 176.26 1x40 h LYS 19 N 0.00 -0.35 -0.56 2.19 3.64 -1.90 -2.14 116.57 117.45 1x40 h LYS 19 Ca 0.74 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 60.14 1x40 h LYS 19 Cb 3.27 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 35.14 1x40 h LYS 19 CO -0.01 -0.07 0.33 0.22 -2.27 0.00 0.00 179.45 177.66 1x40 h ASP 20 N -0.63 0.67 -0.76 4.20 3.58 -0.47 0.14 116.42 123.15 1x40 h ASP 20 Ca -0.04 -0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.34 1x40 h ASP 20 Cb 0.45 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.30 1x40 h ASP 20 CO 0.06 0.52 0.31 0.15 -2.88 0.00 0.00 179.24 177.40 1x40 h PHE 21 N 0.77 1.15 0.01 0.28 3.57 -1.30 -1.53 116.94 119.89 1x40 h PHE 21 Ca 0.20 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 1x40 h PHE 21 Cb -0.02 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.37 1x40 h PHE 21 CO 0.00 0.87 -0.12 -0.07 -2.23 0.00 0.00 178.31 176.76 1x40 h LEU 22 N 1.11 0.09 -1.30 0.59 3.38 -0.70 -3.30 115.31 115.17 1x40 h LEU 22 Ca 0.26 -0.90 0.18 0.00 0.09 0.00 0.00 57.88 57.51 1x40 h LEU 22 Cb 0.20 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 40.85 1x40 h LEU 22 CO -0.02 0.98 0.60 0.24 0.09 0.00 0.00 178.44 180.33 1x40 h MET 23 N -0.79 0.58 -0.77 1.13 2.86 -0.72 0.53 114.93 117.74 1x40 h MET 23 Ca -0.02 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.62 1x40 h MET 23 Cb 1.01 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.50 1x40 h MET 23 CO 0.02 0.38 0.51 1.03 1.06 0.00 0.00 176.91 179.92 1x40 h SER 24 N 0.59 0.81 -0.03 1.22 0.87 -1.35 -1.49 113.55 114.18 1x40 h SER 24 Ca 0.50 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 61.05 1x40 h SER 24 Cb 0.98 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1x40 h SER 24 CO -0.25 0.56 -0.11 2.30 -0.53 0.00 0.00 176.83 178.81 1x40 n ILE 25 N -4.45 0.00 -2.63 2.23 -5.35 0.34 -4.96 119.36 104.54 1x40 n ILE 25 Ca 0.10 -0.45 -0.08 0.00 -0.27 0.00 0.00 62.75 62.06 1x40 n ILE 25 Cb 0.12 1.44 0.02 0.00 -1.74 0.00 0.00 39.64 39.48 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 1.04 -3.21 -0.39 7.28 3.02 0.15 -4.94 115.26 118.21 1x40 n ASN 26 Ca 0.13 -0.12 0.09 0.00 -0.03 0.00 0.00 54.58 54.65 1x40 n ASN 26 Cb 0.57 -2.01 0.19 0.00 -0.61 0.00 0.00 39.78 37.92 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 -1.68 2.94 0.09 3.41 7.99 0.56 -4.67 117.00 125.63 1x40 n LEU 27 Ca -0.02 -3.08 0.06 0.00 -0.01 0.00 0.00 56.01 52.95 1x40 n LEU 27 Cb 0.53 -0.48 0.30 0.00 -0.11 0.00 0.00 43.42 43.67 1x40 n LEU 27 CO 0.18 0.71 0.67 -1.84 -1.51 0.00 0.00 177.39 175.60 1x40 n GLU 28 N -1.09 0.07 0.26 3.23 0.28 -1.25 -1.29 120.64 120.86 1x40 n GLU 28 Ca 0.18 0.56 0.12 0.00 -0.16 0.00 0.00 57.16 57.86 1x40 n GLU 28 Cb 0.74 -1.75 0.71 0.00 1.43 0.00 0.00 31.44 32.56 1x40 n GLU 28 CO 0.00 0.00 0.00 -0.56 -0.16 0.00 0.00 177.13 176.41 1x40 h GLN 29 N 0.00 0.00 -0.62 3.44 -0.00 -1.94 -1.15 115.11 114.85 1x40 h GLN 29 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1x40 h GLN 29 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.52 1x40 h GLN 29 CO 0.00 0.12 0.00 0.66 -0.00 0.00 0.00 178.83 179.61 1x40 n TYR 30 N -3.72 1.09 -0.13 0.06 4.01 -0.41 -4.39 117.16 113.66 1x40 n TYR 30 Ca -0.02 -0.45 -0.06 0.00 -0.16 0.00 0.00 57.90 57.20 1x40 n TYR 30 Cb 0.23 -0.15 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 1.25 -0.46 0.00 0.00 176.86 177.65 1x40 h LEU 31 N 3.30 0.36 -0.18 7.72 5.85 -1.36 -1.88 115.31 129.12 1x40 h LEU 31 Ca 0.00 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.79 1x40 h LEU 31 Cb 1.10 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.00 1x40 h LEU 31 CO 0.14 0.26 -0.27 0.25 -0.34 0.00 0.00 178.44 178.47 1x40 h LEU 32 N 0.46 -0.86 0.49 2.25 7.12 -1.80 0.24 115.31 123.21 1x40 h LEU 32 Ca 0.17 0.14 -0.01 0.00 0.13 0.00 0.00 57.88 58.31 1x40 h LEU 32 Cb 0.05 0.38 -0.02 0.00 -0.53 0.00 0.00 40.66 40.54 1x40 h LEU 32 CO -0.10 -0.31 -0.44 0.45 -0.13 0.00 0.00 178.44 177.90 1x40 h HIS 33 N -0.32 -1.20 -0.89 1.25 -0.00 -1.82 0.37 115.15 112.54 1x40 h HIS 33 Ca 0.11 0.00 0.17 0.00 -0.00 0.00 0.00 60.37 60.66 1x40 h HIS 33 Cb 0.50 0.46 -0.10 0.00 -0.00 0.00 0.00 27.41 28.26 1x40 h HIS 33 CO -0.39 -0.61 0.47 0.74 -0.00 0.00 0.00 177.93 178.13 1x40 h PHE 34 N -0.93 0.81 0.12 2.45 0.04 -1.06 0.34 116.94 118.71 1x40 h PHE 34 Ca -0.05 0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1x40 h PHE 34 Cb 0.80 -0.22 0.00 0.00 2.20 0.00 0.00 35.95 38.73 1x40 h PHE 34 CO -0.21 0.14 -0.06 0.45 -0.60 0.00 0.00 178.31 178.04 1x40 h HIS 35 N 0.60 -0.15 -0.49 -0.55 3.86 -0.04 0.31 115.15 118.69 1x40 h HIS 35 Ca 0.51 -0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.86 1x40 h HIS 35 Cb 0.80 0.05 -0.02 0.00 1.06 0.00 0.00 27.41 29.30 1x40 h HIS 35 CO -0.08 -0.09 0.65 0.93 0.86 0.00 0.00 177.93 180.20 1x40 h GLU 36 N -0.24 0.00 -0.02 2.45 4.39 -0.12 0.77 114.58 121.82 1x40 h GLU 36 Ca -0.02 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.50 1x40 h GLU 36 Cb 0.12 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1x40 h GLU 36 CO 0.03 0.00 -0.81 0.77 -1.16 0.00 0.00 179.01 177.84 1x40 h SER 37 N 0.00 0.28 0.00 1.42 0.02 -0.27 -3.47 113.55 111.52 1x40 h SER 37 Ca 0.23 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1x40 h SER 37 Cb 1.53 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.99 1x40 h SER 37 CO -0.00 0.97 0.00 0.61 -1.14 0.00 0.00 176.83 177.27 1x40 n GLY 38 N 0.72 1.95 3.08 -3.77 0.00 0.27 -5.08 105.19 102.36 1x40 n GLY 38 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 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 3.65 -0.11 1.61 0.08 0.10 -4.92 117.98 116.39 1x40 s PHE 39 Ca 0.00 -2.63 0.06 0.00 0.12 0.00 0.00 56.93 54.48 1x40 s PHE 39 Cb 0.00 -3.07 -0.24 0.00 -0.57 0.00 0.00 43.02 39.14 1x40 s PHE 39 CO 0.00 -0.96 0.41 0.25 -0.10 0.00 0.00 175.22 174.82 1x40 n THR 40 N 4.46 1.62 -4.69 0.64 -2.24 -1.26 -3.93 114.28 108.88 1x40 n THR 40 Ca -0.00 -0.74 -0.31 0.00 -2.27 0.00 0.00 64.05 60.73 1x40 n THR 40 Cb 0.42 -1.21 -0.08 0.00 -2.10 0.00 0.00 70.33 67.36 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 -2.56 1.10 0.26 4.28 -4.23 -1.26 0.05 115.64 113.27 1x40 s THR 41 Ca -0.14 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.48 1x40 s THR 41 Cb 0.07 -2.29 -0.02 0.00 1.34 0.00 0.00 72.50 71.61 1x40 s THR 41 CO 0.79 0.00 1.61 0.58 -0.54 0.00 0.00 174.62 177.06 1x40 h VAL 42 N 1.50 1.41 -0.01 2.29 2.07 -1.78 -3.24 116.25 118.49 1x40 h VAL 42 Ca -0.42 -2.11 0.01 0.00 0.82 0.00 0.00 66.70 65.01 1x40 h VAL 42 Cb 1.30 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 33.20 1x40 h VAL 42 CO 0.71 0.60 -0.08 0.50 0.02 0.00 0.00 177.57 179.32 1x40 h LYS 43 N 0.00 -0.12 0.00 1.57 3.64 -1.97 -0.66 116.57 119.03 1x40 h LYS 43 Ca -0.01 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1x40 h LYS 43 Cb 1.10 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1x40 h LYS 43 CO 0.08 -0.08 0.31 0.22 -2.27 0.00 0.00 179.45 177.70 1x40 h ASP 44 N -0.13 0.00 -0.40 4.20 1.82 -1.94 0.41 116.42 120.39 1x40 h ASP 44 Ca 0.03 0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.60 1x40 h ASP 44 Cb 0.17 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.13 1x40 h ASP 44 CO -0.08 0.00 0.10 0.00 -1.61 0.00 0.00 179.24 177.64 1x40 h ALA 46 N 2.72 0.44 0.00 0.00 0.00 -0.27 -3.30 119.26 118.84 1x40 h ALA 46 Ca 0.10 -0.81 -0.15 0.00 0.00 0.00 0.00 54.91 54.04 1x40 h ALA 46 Cb 1.55 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 1x40 h ALA 46 CO 0.38 1.12 -1.87 0.00 0.00 0.00 0.00 179.25 178.88 1x40 n ALA 47 N -2.33 2.18 -1.62 0.00 0.00 -1.26 -4.97 120.51 112.51 1x40 n ALA 47 Ca 0.00 -0.73 -0.40 0.00 0.00 0.00 0.00 53.44 52.30 1x40 n ALA 47 Cb 0.89 -0.67 0.02 0.00 0.00 0.00 0.00 19.45 19.69 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 -2.60 2.70 -4.29 0.00 5.41 -1.25 -5.01 119.36 114.32 1x40 n ILE 48 Ca -0.13 -0.50 -0.16 0.00 1.00 0.00 0.00 62.75 62.96 1x40 n ILE 48 Cb 0.81 -1.20 -0.10 0.00 -0.71 0.00 0.00 39.64 38.44 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 -0.82 1.81 0.29 4.38 2.20 -1.26 -5.02 114.94 116.51 1x40 s ASN 49 Ca 0.66 -1.11 0.04 0.00 -0.94 0.00 0.00 52.86 51.50 1x40 s ASN 49 Cb -0.52 0.00 0.68 0.00 -2.00 0.00 0.00 41.25 39.41 1x40 s ASN 49 CO 0.55 -0.42 1.75 -2.24 -2.94 0.00 0.00 177.10 173.81 1x40 h ASP 50 N 2.63 0.62 0.09 3.54 3.04 -1.99 0.43 116.42 124.78 1x40 h ASP 50 Ca -0.37 0.11 -0.01 0.00 -3.24 0.00 0.00 57.03 53.51 1x40 h ASP 50 Cb 1.21 0.01 -0.00 0.00 -1.04 0.00 0.00 39.33 39.50 1x40 h ASP 50 CO 0.64 0.20 -0.05 0.28 -2.04 0.00 0.00 179.24 178.26 1x40 h SER 51 N 0.64 0.00 0.03 4.15 0.02 -2.00 -2.59 113.55 113.81 1x40 h SER 51 Ca 0.54 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.39 1x40 h SER 51 Cb 0.87 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.42 1x40 h SER 51 CO -0.41 0.05 -0.44 0.25 -1.14 0.00 0.00 176.83 175.15 1x40 h LEU 52 N 0.00 0.33 -0.61 5.07 5.85 -0.56 -3.05 115.31 122.35 1x40 h LEU 52 Ca -0.00 -0.83 0.12 0.00 0.84 0.00 0.00 57.88 58.01 1x40 h LEU 52 Cb 0.11 -0.10 -0.11 0.00 0.37 0.00 0.00 40.66 40.92 1x40 h LEU 52 CO 0.01 1.13 -0.11 -0.07 -0.34 0.00 0.00 178.44 179.05 1x40 h LEU 53 N -0.42 -0.49 -0.04 2.25 -0.00 -0.97 0.98 115.31 116.62 1x40 h LEU 53 Ca -0.06 0.18 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 1x40 h LEU 53 Cb 1.22 0.35 0.00 0.00 -0.00 0.00 0.00 40.66 42.23 1x40 h LEU 53 CO 0.08 -0.18 0.00 0.00 -0.00 0.00 0.00 178.44 178.34 1x40 n GLN 54 N -5.39 0.02 -0.00 1.13 10.64 -1.13 -2.56 117.38 120.09 1x40 n GLN 54 Ca 0.08 0.19 -0.04 0.00 -1.83 0.00 0.00 57.00 55.39 1x40 n GLN 54 Cb 0.33 -1.53 -0.12 0.00 -0.86 0.00 0.00 30.24 28.06 1x40 n GLN 54 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 1x40 n LYS 55 N -1.56 0.63 0.22 2.61 4.81 0.31 -3.97 118.16 121.21 1x40 n LYS 55 Ca 0.04 0.23 0.11 0.00 -0.87 0.00 0.00 58.31 57.83 1x40 n LYS 55 Cb 0.23 -1.78 0.30 0.00 0.02 0.00 0.00 35.03 33.80 1x40 n LYS 55 CO 0.00 0.00 0.00 -0.84 1.17 0.00 0.00 177.40 177.73 1x40 h ILE 56 N 0.00 0.22 0.00 3.15 3.07 -0.38 -3.47 117.51 120.11 1x40 h ILE 56 Ca -0.24 -1.12 0.00 0.00 1.55 0.00 0.00 64.86 65.05 1x40 h ILE 56 Cb 1.81 1.94 0.00 0.00 -0.27 0.00 0.00 36.82 40.30 1x40 h ILE 56 CO 0.06 0.11 0.00 0.61 -1.05 0.00 0.00 178.15 177.88 1x40 n GLY 57 N 0.76 3.43 3.48 0.16 0.00 -1.20 -4.90 105.19 106.93 1x40 n GLY 57 Ca 0.02 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 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 0.17 -0.61 5.41 -1.08 -4.76 119.36 118.48 1x40 n ILE 58 Ca 0.00 -0.22 -0.11 0.00 1.00 0.00 0.00 62.75 63.42 1x40 n ILE 58 Cb 0.00 -0.28 -0.06 0.00 -0.71 0.00 0.00 39.64 38.59 1x40 n ILE 58 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 1x40 h SER 59 N 11.50 -0.42 -2.99 4.38 0.87 -1.88 -3.36 113.55 121.66 1x40 h SER 59 Ca -0.01 -0.11 -0.53 0.00 -1.23 0.00 0.00 61.79 59.90 1x40 h SER 59 Cb 1.22 0.11 0.02 0.00 -0.44 0.00 0.00 62.40 63.31 1x40 h SER 59 CO 1.49 0.03 0.74 -2.16 -0.53 0.00 0.00 176.83 176.40 1x40 s PRO 60 N -3.77 4.32 0.02 2.24 0.04 -1.26 -4.95 135.00 131.65 1x40 s PRO 60 Ca -0.11 2.03 -0.20 0.00 0.04 0.00 0.00 61.00 62.76 1x40 s PRO 60 Cb 0.01 -3.34 -0.17 0.00 0.04 0.00 0.00 34.50 31.04 1x40 s PRO 60 CO 0.38 -0.46 1.24 1.15 0.04 0.00 0.00 177.00 179.35 1x40 h THR 61 N 4.44 1.40 -0.77 1.26 2.02 -2.01 -3.24 112.91 116.00 1x40 h THR 61 Ca -0.41 -1.61 0.32 0.00 0.77 0.00 0.00 66.41 65.47 1x40 h THR 61 Cb 1.20 2.17 -0.13 0.00 -1.74 0.00 0.00 68.15 69.65 1x40 h THR 61 CO 0.87 0.47 0.42 0.61 0.37 0.00 0.00 175.52 178.26 1x40 n GLY 62 N 0.54 -0.56 0.20 2.16 0.00 -1.26 0.24 105.19 106.51 1x40 n GLY 62 Ca -0.07 0.60 -0.14 0.00 0.00 0.00 0.00 46.02 46.40 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 0.81 0.14 1.61 -0.00 -1.98 -3.17 115.15 112.56 1x40 h HIS 63 Ca 0.63 -0.27 0.00 0.00 -0.00 0.00 0.00 60.37 60.74 1x40 h HIS 63 Cb 1.71 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 28.94 1x40 h HIS 63 CO -0.01 1.01 -0.27 0.00 -0.00 0.00 0.00 177.93 178.66 1x40 h ARG 64 N 0.37 -0.43 -0.99 2.45 3.08 0.30 0.19 114.38 119.35 1x40 h ARG 64 Ca 0.03 0.03 0.35 0.00 0.07 0.00 0.00 59.98 60.45 1x40 h ARG 64 Cb 0.92 0.10 -0.16 0.00 0.08 0.00 0.00 29.97 30.91 1x40 h ARG 64 CO 0.08 -0.29 0.52 0.00 -1.07 0.00 0.00 179.97 179.22 1x40 h ARG 65 N -0.44 0.20 -0.39 0.04 3.08 -1.57 0.86 114.38 116.15 1x40 h ARG 65 Ca -0.01 -0.01 -0.16 0.00 0.07 0.00 0.00 59.98 59.86 1x40 h ARG 65 Cb 0.42 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1x40 h ARG 65 CO -0.11 0.13 -0.38 -0.09 -1.07 0.00 0.00 179.97 178.46 1x40 h ARG 66 N 0.20 0.94 0.18 0.04 2.43 -1.31 -0.47 114.38 116.39 1x40 h ARG 66 Ca 0.76 -0.49 -0.01 0.00 -0.81 0.00 0.00 59.98 59.43 1x40 h ARG 66 Cb 1.81 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.38 1x40 h ARG 66 CO -0.67 1.15 -0.08 0.82 -1.51 0.00 0.00 179.97 179.67 1x40 h ILE 67 N 0.76 0.94 0.29 1.20 2.04 0.37 -3.15 117.51 119.96 1x40 h ILE 67 Ca 0.06 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 1x40 h ILE 67 Cb 0.97 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 38.41 1x40 h ILE 67 CO 0.09 0.16 -0.14 -0.07 0.00 0.00 0.00 178.15 178.19 1x40 h LEU 68 N -0.59 -0.33 -0.84 1.44 3.38 -0.66 -1.92 115.31 115.79 1x40 h LEU 68 Ca -0.02 -0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.05 1x40 h LEU 68 Cb 0.44 0.08 -0.15 0.00 0.09 0.00 0.00 40.66 41.12 1x40 h LEU 68 CO 0.04 -0.17 -0.27 1.17 0.09 0.00 0.00 178.44 179.30 1x40 n LYS 69 N -5.22 -0.13 -0.04 1.13 4.81 -0.18 0.28 118.16 118.80 1x40 n LYS 69 Ca -0.10 1.30 -0.13 0.00 -0.87 0.00 0.00 58.31 58.52 1x40 n LYS 69 Cb 0.20 -1.94 -0.08 0.00 0.02 0.00 0.00 35.03 33.23 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 0.20 -0.89 1.64 1.08 -1.48 -3.14 115.11 112.51 1x40 h GLN 70 Ca 0.35 -0.09 0.22 0.00 -1.45 0.00 0.00 58.65 57.68 1x40 h GLN 70 Cb 0.56 -0.01 -0.16 0.00 -0.05 0.00 0.00 27.48 27.82 1x40 h GLN 70 CO -0.85 0.56 -0.03 -0.07 -0.95 0.00 0.00 178.83 177.49 1x40 h LEU 71 N -0.17 -0.50 0.88 1.46 3.38 0.65 0.12 115.31 121.13 1x40 h LEU 71 Ca 0.02 0.25 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 1x40 h LEU 71 Cb 0.50 0.45 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1x40 h LEU 71 CO 0.01 -0.28 -0.47 1.56 0.09 0.00 0.00 178.44 179.35 1x40 h GLN 72 N 0.05 -1.20 -0.25 1.13 4.20 -1.17 0.35 115.11 118.21 1x40 h GLN 72 Ca 0.50 0.08 0.06 0.00 0.06 0.00 0.00 58.65 59.35 1x40 h GLN 72 Cb 0.94 0.27 -0.08 0.00 0.30 0.00 0.00 27.48 28.92 1x40 h GLN 72 CO -0.83 -0.80 -0.38 0.82 -0.67 0.00 0.00 178.83 176.96 1x40 h ILE 73 N -1.25 0.18 0.21 2.54 2.04 -1.13 -0.06 117.51 120.05 1x40 h ILE 73 Ca -0.12 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 1x40 h ILE 73 Cb 0.97 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1x40 h ILE 73 CO 0.17 0.00 -0.33 0.40 0.00 0.00 0.00 178.15 178.38 1x40 h ILE 74 N -0.39 0.00 -0.97 -0.67 2.04 -0.79 -2.08 117.51 114.65 1x40 h ILE 74 Ca 0.11 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.29 1x40 h ILE 74 Cb 0.58 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.51 1x40 h ILE 74 CO -0.46 0.00 0.45 -0.07 0.00 0.00 0.00 178.15 178.07 1x40 h LEU 75 N -0.57 0.29 -0.42 1.44 3.38 -0.68 0.22 115.31 118.97 1x40 h LEU 75 Ca -0.02 0.21 0.09 0.00 0.09 0.00 0.00 57.88 58.24 1x40 h LEU 75 Cb 0.53 0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.40 1x40 h LEU 75 CO -0.11 -0.20 -0.15 -1.28 0.09 0.00 0.00 178.44 176.79 1x40 h SER 76 N 0.22 -0.52 -0.83 -0.43 0.87 -0.29 -0.87 113.55 111.71 1x40 h SER 76 Ca 0.70 0.14 0.03 0.00 -1.23 0.00 0.00 61.79 61.43 1x40 h SER 76 Cb 1.60 0.31 -0.05 0.00 -0.44 0.00 0.00 62.40 63.82 1x40 h SER 76 CO -0.67 -0.18 0.53 0.11 -0.53 0.00 0.00 176.83 176.09 1x40 h LYS 77 N -0.06 1.01 -0.25 2.24 1.57 -0.38 -1.12 116.57 119.59 1x40 h LYS 77 Ca 0.20 -0.06 0.07 0.00 -1.87 0.00 0.00 60.65 59.00 1x40 h LYS 77 Cb 0.37 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1x40 h LYS 77 CO -0.46 0.67 0.60 0.52 -0.57 0.00 0.00 179.45 180.20 1x40 h MET 78 N 1.04 0.00 -6.15 3.15 2.86 -0.83 -3.39 114.93 111.62 1x40 h MET 78 Ca 0.33 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.41 1x40 h MET 78 Cb -0.01 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.61 1x40 h MET 78 CO -0.11 0.00 0.04 -0.65 1.06 0.00 0.00 176.91 177.25 1x40 s GLN 79 N -4.27 4.37 -0.42 1.72 -1.52 -0.42 -4.97 119.66 114.15 1x40 s GLN 79 Ca -0.03 0.83 -0.01 0.00 -1.95 0.00 0.00 55.36 54.20 1x40 s GLN 79 Cb 0.10 -3.35 0.29 0.00 -0.22 0.00 0.00 33.01 29.83 1x40 s GLN 79 CO 0.33 0.34 2.01 -0.25 -0.25 0.00 0.00 175.29 177.47 1x40 n ASP 80 N 2.74 6.70 -4.72 5.90 9.92 -1.26 -4.92 116.55 130.91 1x40 n ASP 80 Ca -0.06 -3.28 -0.29 0.00 -0.53 0.00 0.00 54.79 50.64 1x40 n ASP 80 Cb 0.51 -1.02 -0.07 0.00 -0.64 0.00 0.00 41.12 39.90 1x40 n ASP 80 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 1x40 s ILE 81 N -3.03 4.17 0.85 0.53 -4.36 -1.26 -5.12 121.20 112.99 1x40 s ILE 81 Ca 0.41 -1.00 -0.11 0.00 -0.26 0.00 0.00 60.65 59.69 1x40 s ILE 81 Cb 0.32 -3.03 0.10 0.00 1.25 0.00 0.00 42.46 41.11 1x40 s ILE 81 CO -0.00 0.06 1.09 -2.16 0.24 0.00 0.00 174.94 174.17 1x40 s PRO 82 N -2.52 1.60 -0.52 0.37 0.04 -1.26 -4.97 135.00 127.74 1x40 s PRO 82 Ca 0.28 0.95 -0.25 0.00 0.04 0.00 0.00 61.00 62.01 1x40 s PRO 82 Cb -0.11 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.62 1x40 s PRO 82 CO 0.20 -2.04 0.97 0.42 0.04 0.00 0.00 177.00 176.59 1x40 s ILE 83 N -2.92 4.37 -1.09 0.56 1.09 -1.26 -4.97 121.20 116.98 1x40 s ILE 83 Ca 0.63 0.57 -0.18 0.00 -1.10 0.00 0.00 60.65 60.56 1x40 s ILE 83 Cb -0.18 -4.52 0.12 0.00 -1.06 0.00 0.00 42.46 36.82 1x40 s ILE 83 CO 0.57 -1.03 1.37 -0.31 -0.10 0.00 0.00 174.94 175.44 1x40 s TYR 84 N 4.01 3.07 0.74 3.97 2.02 -1.26 -5.01 117.35 124.89 1x40 s TYR 84 Ca 0.35 -1.54 -0.11 0.00 -0.37 0.00 0.00 57.07 55.39 1x40 s TYR 84 Cb -0.11 -4.44 0.04 0.00 -0.40 0.00 0.00 41.96 37.05 1x40 s TYR 84 CO 0.23 -1.60 1.09 0.00 -1.57 0.00 0.00 175.55 173.71 1x40 s ALA 85 N 3.03 2.35 -0.75 3.71 0.00 -1.26 -3.95 121.76 124.88 1x40 s ALA 85 Ca 0.41 0.30 -0.04 0.00 0.00 0.00 0.00 51.96 52.63 1x40 s ALA 85 Cb -0.02 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1x40 s ALA 85 CO -0.04 -1.60 0.65 0.45 0.00 0.00 0.00 175.76 175.22 1x40 n SER 86 N -3.25 -3.92 0.00 0.00 2.88 -1.26 -4.72 113.62 103.35 1x40 n SER 86 Ca 0.09 -0.32 0.00 0.00 -1.33 0.00 0.00 58.87 57.31 1x40 n SER 86 Cb 0.53 -3.10 0.00 0.00 -0.75 0.00 0.00 64.21 60.89 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 -1.30 0.69 3.57 0.46 0.00 -1.25 -3.76 105.19 103.60 1x40 n GLY 87 Ca -0.03 -0.82 -0.27 0.00 0.00 0.00 0.00 46.02 44.89 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 2.53 0.54 1.61 0.04 -1.26 -4.77 135.00 133.69 1x40 s PRO 88 Ca 0.00 -0.72 0.25 0.00 0.04 0.00 0.00 61.00 60.57 1x40 s PRO 88 Cb 0.00 -5.15 1.42 0.00 0.04 0.00 0.00 34.50 30.80 1x40 s PRO 88 CO 0.00 -3.66 2.02 0.66 0.04 0.00 0.00 177.00 176.05 1x40 h SER 89 N 10.51 0.00 0.00 6.66 4.64 -1.85 -3.34 113.55 130.17 1x40 h SER 89 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1x40 h SER 89 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1x40 h SER 89 CO 1.22 0.00 -0.42 -1.20 -0.87 0.00 0.00 176.83 175.56 1x40 n SER 90 N -4.29 0.16 -0.21 4.97 7.64 -1.26 -5.23 113.62 115.40 1x40 n SER 90 Ca 0.07 0.08 0.15 0.00 1.01 0.00 0.00 58.87 60.19 1x40 n SER 90 Cb 0.52 -0.01 0.76 0.00 -1.01 0.00 0.00 64.21 64.48 1x40 n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64