#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 3.73 0.32 1.61 0.15 -1.26 -5.16 113.70 113.09 1x40 s SER 2 Ca 0.00 -1.30 0.09 0.00 0.70 0.00 0.00 55.95 55.44 1x40 s SER 2 Cb 0.00 -0.36 -0.05 0.00 -1.71 0.00 0.00 66.02 63.90 1x40 s SER 2 CO 0.00 -0.36 0.06 -0.55 1.20 0.00 0.00 173.24 173.60 1x40 s SER 3 N -3.65 4.51 0.00 5.45 0.15 -1.26 -5.12 113.70 113.78 1x40 s SER 3 Ca 0.34 -0.79 0.00 0.00 0.70 0.00 0.00 55.95 56.20 1x40 s SER 3 Cb 0.07 -0.72 0.00 0.00 -1.71 0.00 0.00 66.02 63.66 1x40 s SER 3 CO 0.17 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.03 1x40 n GLY 4 N -1.02 -1.08 3.76 9.45 0.00 -1.26 -5.15 105.19 109.89 1x40 n GLY 4 Ca -0.04 -0.83 -0.36 0.00 0.00 0.00 0.00 46.02 44.79 1x40 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x40 s SER 5 N -4.00 5.86 0.00 1.61 0.15 -1.26 -4.99 113.70 111.07 1x40 s SER 5 Ca 0.00 0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.93 1x40 s SER 5 Cb 0.00 -1.85 0.00 0.00 -1.71 0.00 0.00 66.02 62.46 1x40 s SER 5 CO 0.00 0.35 0.00 -1.20 1.20 0.00 0.00 173.24 173.59 1x40 n SER 6 N 2.39 0.33 -4.75 5.45 7.64 -1.26 -5.04 113.62 118.38 1x40 n SER 6 Ca -0.19 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.30 1x40 n SER 6 Cb 0.54 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.69 1x40 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x40 s GLY 7 N -4.90 2.76 0.45 0.23 0.00 -1.26 -5.07 107.32 99.53 1x40 s GLY 7 Ca 0.00 0.24 0.07 0.00 0.00 0.00 0.00 44.72 45.03 1x40 s GLY 7 CO 0.00 1.02 0.36 -3.16 0.00 0.00 0.00 173.10 171.32 1x40 s MET 8 N -0.13 2.41 0.45 2.90 0.00 -1.26 -5.15 119.30 118.52 1x40 s MET 8 Ca 0.37 -1.71 0.07 0.00 0.00 0.00 0.00 55.69 54.42 1x40 s MET 8 Cb -0.20 -2.25 -0.02 0.00 0.00 0.00 0.00 34.83 32.36 1x40 s MET 8 CO 0.22 -0.30 0.28 0.45 0.00 0.00 0.00 175.02 175.67 1x40 s SER 9 N -4.14 4.62 -1.35 -1.18 0.15 -1.26 -4.70 113.70 105.85 1x40 s SER 9 Ca 0.44 -1.06 -0.07 0.00 0.70 0.00 0.00 55.95 55.96 1x40 s SER 9 Cb -0.02 -0.24 0.02 0.00 -1.71 0.00 0.00 66.02 64.07 1x40 s SER 9 CO 0.26 -0.72 1.10 -0.24 1.20 0.00 0.00 173.24 174.83 1x40 n SER 10 N -1.45 -4.98 -0.76 5.45 2.88 -1.26 -4.89 113.62 108.61 1x40 n SER 10 Ca -0.01 -0.60 0.12 0.00 -1.33 0.00 0.00 58.87 57.05 1x40 n SER 10 Cb 0.64 -4.86 0.18 0.00 -0.75 0.00 0.00 64.21 59.42 1x40 n SER 10 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1x40 n VAL 11 N -4.75 0.00 0.00 2.46 0.24 -1.26 -4.56 118.33 110.46 1x40 n VAL 11 Ca -0.07 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.84 1x40 n VAL 11 Cb 0.59 1.22 0.00 0.00 -1.47 0.00 0.00 33.84 34.17 1x40 n VAL 11 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1x40 n SER 12 N 0.82 0.45 -4.34 -1.34 7.64 -1.26 -5.12 113.62 110.48 1x40 n SER 12 Ca 0.14 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.84 1x40 n SER 12 Cb 0.52 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.62 1x40 n SER 12 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1x40 s GLU 13 N -1.86 1.31 0.34 1.43 0.41 -1.26 -5.04 118.70 114.02 1x40 s GLU 13 Ca 0.00 -1.60 0.16 0.00 -0.41 0.00 0.00 54.97 53.12 1x40 s GLU 13 Cb 0.00 -0.98 0.53 0.00 -1.78 0.00 0.00 34.13 31.90 1x40 s GLU 13 CO 0.00 0.11 1.67 0.28 -0.49 0.00 0.00 175.26 176.83 1x40 h VAL 14 N 2.55 1.02 -4.04 2.63 2.07 -2.00 -3.40 116.25 115.09 1x40 h VAL 14 Ca -0.38 -1.77 -0.56 0.00 0.82 0.00 0.00 66.70 64.81 1x40 h VAL 14 Cb 1.22 2.05 0.16 0.00 -1.52 0.00 0.00 31.29 33.19 1x40 h VAL 14 CO 0.63 0.45 0.50 -3.20 0.02 0.00 0.00 177.57 175.97 1x40 n ASN 15 N -3.55 2.08 -3.97 0.57 2.85 -1.26 -4.97 115.26 107.01 1x40 n ASN 15 Ca -0.00 0.86 -0.13 0.00 -0.11 0.00 0.00 54.58 55.19 1x40 n ASN 15 Cb 0.57 -1.55 -0.13 0.00 1.24 0.00 0.00 39.78 39.91 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 -1.37 0.31 0.17 3.44 -7.23 -1.26 -4.66 120.40 109.79 1x40 s VAL 16 Ca 0.80 -0.48 -0.32 0.00 -1.81 0.00 0.00 61.98 60.18 1x40 s VAL 16 Cb -0.39 -0.32 -0.11 0.00 0.56 0.00 0.00 36.38 36.12 1x40 s VAL 16 CO 0.43 -0.12 1.72 -0.62 -0.31 0.00 0.00 175.10 176.20 1x40 s ASP 17 N -0.63 6.43 0.62 4.85 -1.08 -1.26 -2.40 116.67 123.20 1x40 s ASP 17 Ca -0.04 2.78 0.22 0.00 -0.52 0.00 0.00 52.55 54.99 1x40 s ASP 17 Cb -0.05 -2.59 0.82 0.00 -1.46 0.00 0.00 42.92 39.64 1x40 s ASP 17 CO -0.00 -0.95 1.31 -0.29 0.52 0.00 0.00 175.17 175.76 1x40 h ILE 18 N 4.13 0.03 0.36 4.11 6.09 -1.01 0.38 117.51 131.60 1x40 h ILE 18 Ca -0.44 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.04 1x40 h ILE 18 Cb 1.21 0.07 0.00 0.00 0.47 0.00 0.00 36.82 38.57 1x40 h ILE 18 CO 0.95 0.00 -0.17 0.50 -3.07 0.00 0.00 178.15 176.35 1x40 h LYS 19 N 0.00 -0.46 -1.02 2.19 3.64 -1.87 -2.14 116.57 116.90 1x40 h LYS 19 Ca 0.37 0.03 0.27 0.00 -1.27 0.00 0.00 60.65 60.05 1x40 h LYS 19 Cb 2.56 0.11 -0.07 0.00 -0.41 0.00 0.00 32.23 34.41 1x40 h LYS 19 CO -0.00 -0.31 0.69 0.22 -2.27 0.00 0.00 179.45 177.77 1x40 h ASP 20 N -0.65 0.30 -0.15 4.20 1.82 -1.29 0.49 116.42 121.14 1x40 h ASP 20 Ca -0.05 0.05 -0.10 0.00 -0.39 0.00 0.00 57.03 56.54 1x40 h ASP 20 Cb 0.37 -0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.37 1x40 h ASP 20 CO 0.08 0.07 -0.24 0.15 -1.61 0.00 0.00 179.24 177.70 1x40 h PHE 21 N 0.27 0.68 0.07 0.28 3.57 -1.44 -1.84 116.94 118.52 1x40 h PHE 21 Ca 0.54 -0.15 -0.10 0.00 3.53 0.00 0.00 57.97 61.80 1x40 h PHE 21 Cb 1.61 -0.16 0.01 0.00 2.79 0.00 0.00 35.95 40.20 1x40 h PHE 21 CO -0.00 0.79 -0.42 -0.07 -2.23 0.00 0.00 178.31 176.37 1x40 h LEU 22 N 0.53 0.26 -1.10 0.59 3.38 0.53 -3.32 115.31 116.18 1x40 h LEU 22 Ca 0.08 -0.94 0.09 0.00 0.09 0.00 0.00 57.88 57.19 1x40 h LEU 22 Cb 0.69 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.29 1x40 h LEU 22 CO 0.05 1.18 0.61 0.24 0.09 0.00 0.00 178.44 180.62 1x40 h MET 23 N -0.62 0.97 -0.94 1.13 2.86 -0.74 0.54 114.93 118.13 1x40 h MET 23 Ca -0.07 -0.06 0.12 0.00 -2.06 0.00 0.00 59.70 57.63 1x40 h MET 23 Cb 1.31 -0.22 -0.07 0.00 0.06 0.00 0.00 31.60 32.67 1x40 h MET 23 CO 0.08 0.64 0.60 0.66 1.06 0.00 0.00 176.91 179.95 1x40 h SER 24 N 1.00 0.81 -0.18 1.22 4.64 -1.43 -0.41 113.55 119.21 1x40 h SER 24 Ca 0.44 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 1x40 h SER 24 Cb 0.34 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1x40 h SER 24 CO -0.19 0.43 0.00 2.30 -0.87 0.00 0.00 176.83 178.50 1x40 n ILE 25 N -4.58 0.25 -3.09 0.95 -5.35 -0.45 -4.99 119.36 102.11 1x40 n ILE 25 Ca 0.17 -0.62 -0.13 0.00 -0.27 0.00 0.00 62.75 61.90 1x40 n ILE 25 Cb 0.38 1.20 0.07 0.00 -1.74 0.00 0.00 39.64 39.55 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 1.21 -3.99 -0.08 7.28 4.13 0.16 -4.95 115.26 119.02 1x40 n ASN 26 Ca 0.14 -0.56 0.02 0.00 1.68 0.00 0.00 54.58 55.86 1x40 n ASN 26 Cb 0.53 -4.44 0.03 0.00 -1.54 0.00 0.00 39.78 34.35 1x40 n ASN 26 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1x40 n LEU 27 N -3.30 1.19 -0.16 3.41 7.99 0.36 -4.79 117.00 121.69 1x40 n LEU 27 Ca -0.15 -1.46 0.29 0.00 -0.01 0.00 0.00 56.01 54.68 1x40 n LEU 27 Cb 0.62 -0.08 0.70 0.00 -0.11 0.00 0.00 43.42 44.55 1x40 n LEU 27 CO 0.51 0.35 1.27 1.05 -1.51 0.00 0.00 177.39 179.05 1x40 h GLU 28 N 0.00 0.00 -0.26 3.23 4.11 -1.91 0.19 114.58 119.94 1x40 h GLU 28 Ca 0.00 0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.51 1x40 h GLU 28 Cb 0.86 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 1x40 h GLU 28 CO 0.00 0.00 0.58 -0.56 0.07 0.00 0.00 179.01 179.10 1x40 h GLN 29 N 0.00 0.00 0.00 1.06 3.07 -1.94 1.05 115.11 118.35 1x40 h GLN 29 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.17 1x40 h GLN 29 Cb 1.98 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.54 1x40 h GLN 29 CO -0.00 0.00 -1.77 0.66 0.09 0.00 0.00 178.83 177.81 1x40 n TYR 30 N -3.15 0.08 -0.29 0.06 4.01 0.67 -4.54 117.16 114.01 1x40 n TYR 30 Ca 0.04 0.02 -0.04 0.00 -0.16 0.00 0.00 57.90 57.76 1x40 n TYR 30 Cb 0.69 -0.47 -0.02 0.00 -0.31 0.00 0.00 39.34 39.22 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 -2.19 -0.62 -0.28 7.72 7.94 0.36 0.19 117.00 130.13 1x40 n LEU 31 Ca -0.03 1.26 0.09 0.00 -1.11 0.00 0.00 56.01 56.23 1x40 n LEU 31 Cb 0.53 -0.22 0.24 0.00 0.53 0.00 0.00 43.42 44.50 1x40 n LEU 31 CO 0.45 -1.08 0.98 0.25 -1.11 0.00 0.00 177.39 176.88 1x40 h LEU 32 N 0.00 0.14 -1.13 -1.96 7.12 -1.80 0.35 115.31 118.03 1x40 h LEU 32 Ca 0.18 0.15 -0.02 0.00 0.13 0.00 0.00 57.88 58.32 1x40 h LEU 32 Cb 0.36 0.18 -0.03 0.00 -0.53 0.00 0.00 40.66 40.63 1x40 h LEU 32 CO -0.69 -0.03 0.35 0.45 -0.13 0.00 0.00 178.44 178.39 1x40 h HIS 33 N 0.32 0.94 -0.09 1.25 3.86 0.19 -1.48 115.15 120.14 1x40 h HIS 33 Ca 0.49 -0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.63 1x40 h HIS 33 Cb 0.88 -0.30 -0.00 0.00 1.06 0.00 0.00 27.41 29.05 1x40 h HIS 33 CO -0.21 0.67 -0.11 0.74 0.86 0.00 0.00 177.93 179.88 1x40 h PHE 34 N 0.96 0.28 0.42 2.45 -1.00 0.64 -2.63 116.94 118.06 1x40 h PHE 34 Ca 0.24 -0.09 -0.02 0.00 2.81 0.00 0.00 57.97 60.91 1x40 h PHE 34 Cb 0.06 -0.06 -0.00 0.00 3.61 0.00 0.00 35.95 39.56 1x40 h PHE 34 CO 0.01 0.68 -0.28 0.45 -1.61 0.00 0.00 178.31 177.57 1x40 h HIS 35 N -0.20 -0.74 -0.98 -0.55 3.86 -0.62 0.45 115.15 116.36 1x40 h HIS 35 Ca 0.01 -0.01 0.28 0.00 -1.16 0.00 0.00 60.37 59.49 1x40 h HIS 35 Cb 0.65 0.27 -0.14 0.00 1.06 0.00 0.00 27.41 29.25 1x40 h HIS 35 CO 0.10 -0.40 0.53 0.93 0.86 0.00 0.00 177.93 179.95 1x40 h GLU 36 N -0.66 0.40 -0.91 2.45 5.08 -1.40 0.45 114.58 119.99 1x40 h GLU 36 Ca -0.06 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1x40 h GLU 36 Cb 0.53 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 1x40 h GLU 36 CO 0.05 0.27 0.52 0.77 -1.00 0.00 0.00 179.01 179.61 1x40 h SER 37 N 0.41 1.12 0.00 1.42 0.02 -1.15 -3.46 113.55 111.92 1x40 h SER 37 Ca 0.67 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.53 1x40 h SER 37 Cb 1.41 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1x40 h SER 37 CO -0.56 0.89 0.00 0.61 -1.14 0.00 0.00 176.83 176.63 1x40 n GLY 38 N -1.17 1.40 3.21 -3.77 0.00 0.16 -5.10 105.19 99.91 1x40 n GLY 38 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.40 3.18 -0.25 1.61 0.08 0.05 -4.95 117.98 116.30 1x40 s PHE 39 Ca 0.00 -1.64 0.03 0.00 0.12 0.00 0.00 56.93 55.44 1x40 s PHE 39 Cb 0.00 -2.12 -0.17 0.00 -0.57 0.00 0.00 43.02 40.17 1x40 s PHE 39 CO 0.00 -0.75 -0.21 0.25 -0.10 0.00 0.00 175.22 174.41 1x40 n THR 40 N 4.68 1.43 -4.47 0.64 -2.24 -1.26 -3.70 114.28 109.35 1x40 n THR 40 Ca -0.14 -0.56 -0.24 0.00 -2.27 0.00 0.00 64.05 60.84 1x40 n THR 40 Cb 0.45 -1.35 -0.10 0.00 -2.10 0.00 0.00 70.33 67.23 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 -2.50 2.19 0.48 4.28 -4.23 -1.26 -0.43 115.64 114.17 1x40 s THR 41 Ca -0.33 -2.28 0.19 0.00 -1.18 0.00 0.00 61.69 58.10 1x40 s THR 41 Cb 0.09 -2.41 0.25 0.00 1.34 0.00 0.00 72.50 71.76 1x40 s THR 41 CO 0.58 -0.34 2.08 0.58 -0.54 0.00 0.00 174.62 176.98 1x40 h VAL 42 N 2.22 0.91 -0.27 2.29 2.07 -1.78 -2.65 116.25 119.05 1x40 h VAL 42 Ca -0.40 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 1x40 h VAL 42 Cb 1.25 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 1x40 h VAL 42 CO 0.65 0.10 0.17 0.11 0.02 0.00 0.00 177.57 178.62 1x40 h LYS 43 N 0.00 0.36 0.00 1.57 1.79 -1.96 -1.24 116.57 117.09 1x40 h LYS 43 Ca -0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1x40 h LYS 43 Cb 0.21 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1x40 h LYS 43 CO 0.01 0.28 0.16 -0.40 -1.08 0.00 0.00 179.45 178.42 1x40 n ASP 44 N -4.87 0.41 -1.14 0.86 5.68 -1.00 -0.01 116.55 116.46 1x40 n ASP 44 Ca -0.02 0.63 0.04 0.00 -0.50 0.00 0.00 54.79 54.94 1x40 n ASP 44 Cb 0.05 -0.63 0.21 0.00 -1.14 0.00 0.00 41.12 39.60 1x40 n ASP 44 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1x40 h ALA 46 N 3.23 1.33 0.00 0.00 0.00 -0.57 -2.82 119.26 120.43 1x40 h ALA 46 Ca 0.00 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 1x40 h ALA 46 Cb 1.14 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1x40 h ALA 46 CO 0.21 0.25 -2.02 0.00 0.00 0.00 0.00 179.25 177.69 1x40 n ALA 47 N -2.35 2.35 -1.70 0.00 0.00 -1.26 -4.96 120.51 112.59 1x40 n ALA 47 Ca -0.02 -0.74 -0.43 0.00 0.00 0.00 0.00 53.44 52.25 1x40 n ALA 47 Cb 0.30 -0.62 -0.02 0.00 0.00 0.00 0.00 19.45 19.11 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 -2.47 1.25 -4.39 0.00 5.41 -1.06 -5.00 119.36 113.10 1x40 n ILE 48 Ca -0.13 -0.31 -0.21 0.00 1.00 0.00 0.00 62.75 63.10 1x40 n ILE 48 Cb 0.76 -1.65 -0.07 0.00 -0.71 0.00 0.00 39.64 37.97 1x40 n ILE 48 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1x40 n ASN 49 N 1.78 0.63 -0.27 4.38 0.23 -1.26 -4.99 115.26 115.75 1x40 n ASN 49 Ca 0.09 -2.94 0.03 0.00 -0.53 0.00 0.00 54.58 51.23 1x40 n ASN 49 Cb 0.34 1.09 0.17 0.00 -2.08 0.00 0.00 39.78 39.30 1x40 n ASN 49 CO 0.00 0.00 0.00 -2.24 -0.93 0.00 0.00 177.26 174.09 1x40 h ASP 50 N 1.56 0.57 0.26 0.53 3.04 -1.97 0.13 116.42 120.54 1x40 h ASP 50 Ca -0.26 0.06 -0.02 0.00 -3.24 0.00 0.00 57.03 53.57 1x40 h ASP 50 Cb 1.08 -0.04 -0.00 0.00 -1.04 0.00 0.00 39.33 39.32 1x40 h ASP 50 CO 0.40 0.31 -0.10 0.28 -2.04 0.00 0.00 179.24 178.09 1x40 h SER 51 N 0.69 0.00 0.03 4.15 0.02 -1.99 -2.82 113.55 113.64 1x40 h SER 51 Ca 0.39 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.34 1x40 h SER 51 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1x40 h SER 51 CO -0.27 0.10 -0.01 0.25 -1.14 0.00 0.00 176.83 175.75 1x40 h LEU 52 N 0.00 -0.03 -0.54 5.07 7.12 -1.17 -3.00 115.31 122.76 1x40 h LEU 52 Ca -0.00 -0.68 0.11 0.00 0.13 0.00 0.00 57.88 57.43 1x40 h LEU 52 Cb 0.26 0.01 -0.10 0.00 -0.53 0.00 0.00 40.66 40.30 1x40 h LEU 52 CO 0.01 0.73 -0.14 -0.07 -0.13 0.00 0.00 178.44 178.85 1x40 h LEU 53 N -0.86 -0.51 -0.17 2.25 -0.00 -1.13 0.83 115.31 115.71 1x40 h LEU 53 Ca -0.00 0.16 0.00 0.00 -0.00 0.00 0.00 57.88 58.04 1x40 h LEU 53 Cb 0.72 0.34 0.00 0.00 -0.00 0.00 0.00 40.66 41.71 1x40 h LEU 53 CO 0.01 -0.18 0.00 0.00 -0.00 0.00 0.00 178.44 178.27 1x40 n GLN 54 N -5.38 0.04 -0.07 1.13 -0.00 -1.08 -2.82 117.38 109.20 1x40 n GLN 54 Ca 0.05 0.31 -0.18 0.00 -0.00 0.00 0.00 57.00 57.19 1x40 n GLN 54 Cb 0.28 -1.59 -0.13 0.00 -0.00 0.00 0.00 30.24 28.81 1x40 n GLN 54 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.06 176.84 1x40 h LYS 55 N 0.00 0.04 -0.21 2.61 3.64 0.77 -3.33 116.57 120.09 1x40 h LYS 55 Ca 0.00 -0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.38 1x40 h LYS 55 Cb 0.25 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1x40 h LYS 55 CO 0.00 1.03 0.36 -0.84 -2.27 0.00 0.00 179.45 177.73 1x40 h ILE 56 N -0.90 0.23 0.00 2.00 3.07 -1.03 -3.44 117.51 117.44 1x40 h ILE 56 Ca -0.18 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.23 1x40 h ILE 56 Cb 1.23 0.69 0.00 0.00 -0.27 0.00 0.00 36.82 38.46 1x40 h ILE 56 CO -0.07 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.64 1x40 n GLY 57 N -1.36 1.60 2.63 0.16 0.00 -1.23 -4.96 105.19 102.03 1x40 n GLY 57 Ca 0.03 -0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.13 -4.79 119.36 118.39 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 -0.38 -0.04 0.00 -0.71 0.00 0.00 39.64 38.52 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 8.78 -0.38 -3.61 4.38 0.02 -1.89 -3.39 113.55 117.47 1x40 h SER 59 Ca -0.04 -0.01 -0.52 0.00 -0.84 0.00 0.00 61.79 60.38 1x40 h SER 59 Cb 1.00 0.10 0.04 0.00 0.14 0.00 0.00 62.40 63.68 1x40 h SER 59 CO 1.02 0.07 0.61 -2.16 -1.14 0.00 0.00 176.83 175.23 1x40 s PRO 60 N -3.06 4.43 -0.04 3.45 0.04 -1.26 -4.96 135.00 133.59 1x40 s PRO 60 Ca -0.07 2.05 -0.20 0.00 0.04 0.00 0.00 61.00 62.82 1x40 s PRO 60 Cb 0.01 -3.16 -0.32 0.00 0.04 0.00 0.00 34.50 31.07 1x40 s PRO 60 CO 0.22 -0.15 0.88 1.15 0.04 0.00 0.00 177.00 179.14 1x40 h THR 61 N 3.43 1.40 -1.28 1.26 2.02 -2.01 -3.30 112.91 114.43 1x40 h THR 61 Ca -0.46 -2.56 0.37 0.00 0.77 0.00 0.00 66.41 64.53 1x40 h THR 61 Cb 1.22 3.11 -0.05 0.00 -1.74 0.00 0.00 68.15 70.69 1x40 h THR 61 CO 0.72 0.74 1.23 1.23 0.37 0.00 0.00 175.52 179.81 1x40 h GLY 62 N -0.20 0.00 1.20 2.16 0.00 -2.01 1.60 103.07 105.82 1x40 h GLY 62 Ca -0.19 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.83 1x40 h GLY 62 CO 0.17 0.00 -1.56 0.45 0.00 0.00 0.00 176.54 175.60 1x40 h HIS 63 N 0.00 0.51 0.69 5.60 -0.00 -1.98 -3.30 115.15 116.66 1x40 h HIS 63 Ca 0.61 -0.37 -0.03 0.00 -0.00 0.00 0.00 60.37 60.58 1x40 h HIS 63 Cb 3.06 -0.02 -0.00 0.00 -0.00 0.00 0.00 27.41 30.45 1x40 h HIS 63 CO 0.00 1.43 -0.41 0.00 -0.00 0.00 0.00 177.93 178.95 1x40 h ARG 64 N 0.08 -0.99 -0.69 2.45 3.08 0.22 -1.44 114.38 117.09 1x40 h ARG 64 Ca -0.26 0.07 0.15 0.00 0.07 0.00 0.00 59.98 60.01 1x40 h ARG 64 Cb 2.03 0.23 -0.12 0.00 0.08 0.00 0.00 29.97 32.19 1x40 h ARG 64 CO 0.17 -0.66 -0.01 0.00 -1.07 0.00 0.00 179.97 178.40 1x40 h ARG 65 N -1.03 0.10 0.00 0.04 3.08 -1.64 0.69 114.38 115.62 1x40 h ARG 65 Ca -0.09 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1x40 h ARG 65 Cb 0.83 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.85 1x40 h ARG 65 CO 0.10 0.07 -0.07 -0.09 -1.07 0.00 0.00 179.97 178.90 1x40 h ARG 66 N 0.10 0.00 0.01 0.04 2.43 -1.59 0.23 114.38 115.61 1x40 h ARG 66 Ca 0.36 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.53 1x40 h ARG 66 Cb 0.61 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1x40 h ARG 66 CO -0.60 0.07 -0.00 0.82 -1.51 0.00 0.00 179.97 178.75 1x40 h ILE 67 N 0.00 1.30 0.19 1.20 2.04 0.13 -3.29 117.51 119.08 1x40 h ILE 67 Ca -0.00 -1.93 -0.01 0.00 1.00 0.00 0.00 64.86 63.92 1x40 h ILE 67 Cb 0.15 2.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 1x40 h ILE 67 CO 0.01 0.43 -0.09 -0.07 0.00 0.00 0.00 178.15 178.43 1x40 h LEU 68 N -0.98 -0.22 -0.99 1.44 3.38 -0.43 -1.76 115.31 115.75 1x40 h LEU 68 Ca -0.00 -0.15 0.25 0.00 0.09 0.00 0.00 57.88 58.08 1x40 h LEU 68 Cb 0.72 0.06 -0.19 0.00 0.09 0.00 0.00 40.66 41.34 1x40 h LEU 68 CO 0.00 0.02 -0.05 1.17 0.09 0.00 0.00 178.44 179.68 1x40 n LYS 69 N -5.11 -0.08 -0.03 1.13 0.00 0.81 -0.20 118.16 114.68 1x40 n LYS 69 Ca -0.09 1.50 -0.13 0.00 0.00 0.00 0.00 58.31 59.59 1x40 n LYS 69 Cb 0.20 -2.35 -0.10 0.00 0.00 0.00 0.00 35.03 32.78 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 0.10 -0.94 1.64 1.08 -1.60 -3.02 115.11 112.37 1x40 h GLN 70 Ca 0.57 -0.07 0.25 0.00 -1.45 0.00 0.00 58.65 57.96 1x40 h GLN 70 Cb 1.11 0.01 -0.13 0.00 -0.05 0.00 0.00 27.48 28.41 1x40 h GLN 70 CO -0.96 0.64 0.45 -0.07 -0.95 0.00 0.00 178.83 177.94 1x40 h LEU 71 N -0.42 0.39 0.60 1.46 3.38 0.34 0.18 115.31 121.25 1x40 h LEU 71 Ca 0.00 0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1x40 h LEU 71 Cb 0.63 0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.53 1x40 h LEU 71 CO 0.01 -0.04 -0.29 1.56 0.09 0.00 0.00 178.44 179.77 1x40 h GLN 72 N 0.38 -0.78 -0.35 1.13 1.08 -1.00 0.10 115.11 115.68 1x40 h GLN 72 Ca 0.62 0.05 0.07 0.00 -1.45 0.00 0.00 58.65 57.94 1x40 h GLN 72 Cb 1.26 0.18 -0.06 0.00 -0.05 0.00 0.00 27.48 28.80 1x40 h GLN 72 CO -0.56 -0.46 -0.07 0.82 -0.95 0.00 0.00 178.83 177.61 1x40 h ILE 73 N -1.01 0.67 0.73 2.54 2.04 -1.12 -0.28 117.51 121.08 1x40 h ILE 73 Ca -0.08 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 1x40 h ILE 73 Cb 0.67 0.64 0.01 0.00 -0.74 0.00 0.00 36.82 37.40 1x40 h ILE 73 CO 0.14 0.00 -0.35 0.40 0.00 0.00 0.00 178.15 178.34 1x40 h ILE 74 N 0.02 0.00 -1.25 -0.67 2.04 -0.70 -2.51 117.51 114.45 1x40 h ILE 74 Ca 0.17 -0.04 0.37 0.00 1.00 0.00 0.00 64.86 66.36 1x40 h ILE 74 Cb 0.26 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.24 1x40 h ILE 74 CO -0.35 0.00 0.84 -0.07 0.00 0.00 0.00 178.15 178.57 1x40 h LEU 75 N -1.02 0.24 -0.04 1.44 3.38 -0.67 0.25 115.31 118.90 1x40 h LEU 75 Ca -0.10 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1x40 h LEU 75 Cb 0.75 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1x40 h LEU 75 CO 0.16 -0.03 0.01 -1.28 0.09 0.00 0.00 178.44 177.39 1x40 h SER 76 N 0.17 0.05 -0.01 -0.43 0.87 -0.75 -2.64 113.55 110.81 1x40 h SER 76 Ca 0.69 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 61.05 1x40 h SER 76 Cb 2.24 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 64.18 1x40 h SER 76 CO -0.25 0.25 0.01 0.11 -0.53 0.00 0.00 176.83 176.42 1x40 h LYS 77 N -0.15 0.00 -6.48 2.24 1.79 -0.09 -3.44 116.57 110.44 1x40 h LYS 77 Ca 0.01 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 58.00 1x40 h LYS 77 Cb 0.22 0.00 0.24 0.00 -1.58 0.00 0.00 32.23 31.10 1x40 h LYS 77 CO -0.00 0.00 -1.49 -1.33 -1.08 0.00 0.00 179.45 175.55 1x40 n MET 78 N -4.24 -1.00 -1.17 3.15 2.81 -0.84 -4.82 117.12 111.02 1x40 n MET 78 Ca -0.03 -0.28 -0.37 0.00 -1.81 0.00 0.00 57.70 55.21 1x40 n MET 78 Cb 0.10 -1.51 0.03 0.00 -0.71 0.00 0.00 33.22 31.13 1x40 n MET 78 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1x40 n GLN 79 N -0.67 0.06 -0.81 0.03 3.00 -1.26 -4.73 117.38 112.99 1x40 n GLN 79 Ca 0.00 0.03 -0.08 0.00 -0.01 0.00 0.00 57.00 56.95 1x40 n GLN 79 Cb 0.65 -1.17 -0.11 0.00 0.00 0.00 0.00 30.24 29.60 1x40 n GLN 79 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1x40 n ASP 80 N 2.22 5.23 -4.79 1.08 9.92 -1.26 -4.91 116.55 124.04 1x40 n ASP 80 Ca 0.05 -2.44 -0.36 0.00 -0.53 0.00 0.00 54.79 51.51 1x40 n ASP 80 Cb 0.51 -1.30 -0.06 0.00 -0.64 0.00 0.00 41.12 39.63 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 0.66 4.08 0.59 0.53 -4.36 -1.26 -5.03 121.20 116.40 1x40 s ILE 81 Ca 0.42 1.54 -0.18 0.00 -0.26 0.00 0.00 60.65 62.18 1x40 s ILE 81 Cb 0.20 -3.77 -0.04 0.00 1.25 0.00 0.00 42.46 40.11 1x40 s ILE 81 CO 0.00 -0.04 1.12 -2.16 0.24 0.00 0.00 174.94 174.10 1x40 s PRO 82 N -2.55 3.13 0.18 0.37 0.04 -1.26 -4.97 135.00 129.93 1x40 s PRO 82 Ca 0.57 1.52 -0.31 0.00 0.04 0.00 0.00 61.00 62.82 1x40 s PRO 82 Cb -0.17 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 1x40 s PRO 82 CO 0.22 -1.01 1.41 0.42 0.04 0.00 0.00 177.00 178.08 1x40 s ILE 83 N -2.00 3.00 -0.93 0.56 -1.09 -1.26 -4.95 121.20 114.53 1x40 s ILE 83 Ca 0.70 0.78 -0.00 0.00 -2.23 0.00 0.00 60.65 59.90 1x40 s ILE 83 Cb -0.23 -3.50 0.31 0.00 -1.58 0.00 0.00 42.46 37.47 1x40 s ILE 83 CO 0.33 0.09 1.40 -1.22 -1.23 0.00 0.00 174.94 174.31 1x40 n TYR 84 N 3.21 2.85 -3.91 3.97 4.01 -1.26 -4.97 117.16 121.05 1x40 n TYR 84 Ca 0.09 -3.01 0.01 0.00 -0.16 0.00 0.00 57.90 54.83 1x40 n TYR 84 Cb 0.41 -1.03 0.01 0.00 -0.31 0.00 0.00 39.34 38.43 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 -3.30 -2.15 -0.65 -0.72 0.00 -1.26 -5.11 121.76 108.56 1x40 s ALA 85 Ca 0.37 -0.02 -0.13 0.00 0.00 0.00 0.00 51.96 52.18 1x40 s ALA 85 Cb 0.14 0.80 0.17 0.00 0.00 0.00 0.00 23.12 24.22 1x40 s ALA 85 CO -0.01 -1.11 0.58 0.45 0.00 0.00 0.00 175.76 175.67 1x40 s SER 86 N -3.59 6.28 0.00 0.00 0.15 -1.26 -4.80 113.70 110.48 1x40 s SER 86 Ca 0.25 -2.27 0.00 0.00 0.70 0.00 0.00 55.95 54.64 1x40 s SER 86 Cb -0.01 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 1x40 s SER 86 CO 0.01 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.38 1x40 n GLY 87 N 4.53 -1.03 3.72 9.45 0.00 -1.26 -5.13 105.19 115.48 1x40 n GLY 87 Ca 0.00 0.57 -0.30 0.00 0.00 0.00 0.00 46.02 46.29 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 0.38 1.41 -1.65 1.61 0.04 -1.26 -3.73 135.00 131.79 1x40 s PRO 88 Ca 0.00 0.87 -0.11 0.00 0.04 0.00 0.00 61.00 61.80 1x40 s PRO 88 Cb 0.00 -1.82 0.10 0.00 0.04 0.00 0.00 34.50 32.82 1x40 s PRO 88 CO 0.00 -2.15 0.45 0.43 0.04 0.00 0.00 177.00 175.77 1x40 n SER 89 N -3.83 -1.18 -4.84 6.66 7.64 -1.26 -4.93 113.62 111.88 1x40 n SER 89 Ca 0.07 -1.14 -0.28 0.00 1.01 0.00 0.00 58.87 58.53 1x40 n SER 89 Cb 0.55 -2.23 -0.04 0.00 -1.01 0.00 0.00 64.21 61.48 1x40 n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x40 s SER 90 N -3.80 4.45 0.00 6.43 0.15 -1.24 -5.13 113.70 114.55 1x40 s SER 90 Ca 0.41 -1.35 0.00 0.00 0.70 0.00 0.00 55.95 55.71 1x40 s SER 90 Cb -0.23 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.40 1x40 s SER 90 CO 0.96 -0.95 0.00 0.61 1.20 0.00 0.00 173.24 175.07