#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ch0 s SER 2 N 0.00 -0.66 1.01 1.61 0.01 -1.26 -5.20 113.70 109.21 2ch0 s SER 2 Ca 0.00 0.96 -0.12 0.00 1.31 0.00 0.00 55.95 58.10 2ch0 s SER 2 Cb 0.00 1.59 0.17 0.00 0.21 0.00 0.00 66.02 67.99 2ch0 s SER 2 CO 0.00 -0.14 0.97 -2.65 0.41 0.00 0.00 173.24 171.83 2ch0 n PRO 3 N 4.61 -1.07 0.22 12.44 -0.02 -1.26 -5.02 135.00 144.90 2ch0 n PRO 3 Ca -0.13 -1.50 0.10 0.00 -2.02 0.00 0.00 63.50 59.96 2ch0 n PRO 3 Cb 0.54 -1.02 0.37 0.00 -0.02 0.00 0.00 33.50 33.37 2ch0 n PRO 3 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2ch0 h GLU 4 N 0.00 0.00 0.00 -0.52 5.08 -2.03 -3.47 114.58 113.64 2ch0 h GLU 4 Ca -0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2ch0 h GLU 4 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2ch0 h GLU 4 CO 0.22 0.19 0.00 0.34 -1.00 0.00 0.00 179.01 178.76 2ch0 n PHE 5 N -3.25 0.00 0.17 4.33 7.35 -1.26 -4.97 117.46 119.84 2ch0 n PHE 5 Ca 0.01 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.63 2ch0 n PHE 5 Cb 0.48 0.00 0.08 0.00 0.35 0.00 0.00 39.48 40.39 2ch0 n PHE 5 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2ch0 n ARG 6 N -2.04 1.62 -2.59 -4.13 5.12 -1.26 -4.72 116.66 108.65 2ch0 n ARG 6 Ca 0.00 -1.15 -0.22 0.00 -1.93 0.00 0.00 57.85 54.55 2ch0 n ARG 6 Cb 0.00 -1.50 0.06 0.00 -1.16 0.00 0.00 32.46 29.87 2ch0 n ARG 6 CO 0.00 0.00 0.00 1.67 -1.93 0.00 0.00 177.63 177.37 2ch0 s TRP 7 N -1.31 2.40 -0.75 -1.55 -2.14 -1.26 -5.04 118.94 109.29 2ch0 s TRP 7 Ca 0.22 -0.08 0.26 0.00 2.66 0.00 0.00 56.10 59.16 2ch0 s TRP 7 Cb 0.18 -2.86 0.83 0.00 -3.10 0.00 0.00 33.47 28.52 2ch0 s TRP 7 CO 0.04 -1.21 1.78 2.41 -2.66 0.00 0.00 176.95 177.32 2ch0 n THR 8 N -2.56 0.56 0.23 0.66 -1.04 -1.26 -3.74 114.28 107.14 2ch0 n THR 8 Ca 0.11 -0.27 0.09 0.00 -2.04 0.00 0.00 64.05 61.93 2ch0 n THR 8 Cb 0.60 -0.58 0.55 0.00 -1.82 0.00 0.00 70.33 69.08 2ch0 n THR 8 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2ch0 h LYS 9 N 0.00 0.00 0.00 -2.82 1.57 -1.96 -2.98 116.57 110.38 2ch0 h LYS 9 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ch0 h LYS 9 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 2ch0 h LYS 9 CO 0.00 0.22 0.15 -0.85 -0.57 0.00 0.00 179.45 178.40 2ch0 n GLU 10 N -3.73 0.11 0.14 3.15 0.28 -1.25 -0.59 120.64 118.76 2ch0 n GLU 10 Ca -0.01 0.60 -0.00 0.00 -0.16 0.00 0.00 57.16 57.58 2ch0 n GLU 10 Cb 0.33 -2.01 0.16 0.00 1.43 0.00 0.00 31.44 31.36 2ch0 n GLU 10 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2ch0 h GLU 11 N 0.00 0.00 -0.04 3.44 5.08 -1.81 -3.31 114.58 117.94 2ch0 h GLU 11 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 2ch0 h GLU 11 Cb 0.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2ch0 h GLU 11 CO 0.00 0.60 -0.49 0.93 -1.00 0.00 0.00 179.01 179.05 2ch0 h GLU 12 N 0.00 0.10 -0.48 2.33 5.08 -1.07 -3.32 114.58 117.23 2ch0 h GLU 12 Ca -0.01 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 2ch0 h GLU 12 Cb 1.16 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.36 2ch0 h GLU 12 CO 0.08 0.58 0.23 1.49 -1.00 0.00 0.00 179.01 180.39 2ch0 h GLU 13 N 0.08 0.44 0.00 2.33 4.57 -1.66 -3.27 114.58 117.08 2ch0 h GLU 13 Ca 0.00 -0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 58.04 2ch0 h GLU 13 Cb 0.90 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.38 2ch0 h GLU 13 CO 0.07 0.29 -0.54 0.00 -1.18 0.00 0.00 179.01 177.65 2ch0 h THR 14 N 0.46 1.27 0.00 0.32 1.03 -1.72 -3.22 112.91 111.04 2ch0 h THR 14 Ca 0.21 -1.92 0.00 0.00 -0.01 0.00 0.00 66.41 64.70 2ch0 h THR 14 Cb 0.14 2.07 0.00 0.00 -1.07 0.00 0.00 68.15 69.28 2ch0 h THR 14 CO -0.16 0.53 0.00 0.54 -0.01 0.00 0.00 175.52 176.42 2ch0 n ARG 15 N -3.73 0.18 0.00 0.00 1.74 -1.23 -1.79 116.66 111.82 2ch0 n ARG 15 Ca -0.01 0.53 0.11 0.00 -0.77 0.00 0.00 57.85 57.72 2ch0 n ARG 15 Cb 0.58 -1.94 0.13 0.00 -1.02 0.00 0.00 32.46 30.21 2ch0 n ARG 15 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2ch0 n GLN 16 N -2.29 0.31 0.03 5.56 6.02 -1.22 -4.58 117.38 121.23 2ch0 n GLN 16 Ca 0.00 -0.22 -0.13 0.00 -0.01 0.00 0.00 57.00 56.64 2ch0 n GLN 16 Cb 0.14 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 29.82 2ch0 n GLN 16 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.06 178.03 2ch0 h MET 17 N 0.54 -0.06 0.00 -1.09 4.05 -1.53 -3.39 114.93 113.46 2ch0 h MET 17 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2ch0 h MET 17 Cb 0.53 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.35 2ch0 h MET 17 CO 0.00 0.22 0.30 0.66 0.23 0.00 0.00 176.91 178.32 2ch0 n TYR 18 N -4.99 0.42 0.00 1.39 4.01 -1.26 -2.36 117.16 114.37 2ch0 n TYR 18 Ca -0.08 0.22 0.00 0.00 -0.16 0.00 0.00 57.90 57.88 2ch0 n TYR 18 Cb 0.17 -0.64 0.00 0.00 -0.31 0.00 0.00 39.34 38.55 2ch0 n TYR 18 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2ch0 n ASP 19 N -2.01 0.00 0.24 7.72 2.03 -1.26 -4.28 116.55 118.99 2ch0 n ASP 19 Ca -0.01 0.00 0.17 0.00 0.52 0.00 0.00 54.79 55.47 2ch0 n ASP 19 Cb 0.32 0.00 0.88 0.00 -0.72 0.00 0.00 41.12 41.59 2ch0 n ASP 19 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 2ch0 h MET 20 N 0.00 0.00 -0.03 -0.67 2.86 -1.87 -2.10 114.93 113.13 2ch0 h MET 20 Ca 0.00 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.44 2ch0 h MET 20 Cb 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 2ch0 h MET 20 CO 0.00 0.00 -0.85 0.28 1.06 0.00 0.00 176.91 177.40 2ch0 h VAL 21 N 0.00 1.41 -0.91 -2.22 2.07 -1.78 -3.40 116.25 111.43 2ch0 h VAL 21 Ca 0.05 -2.37 0.17 0.00 0.82 0.00 0.00 66.70 65.37 2ch0 h VAL 21 Cb 0.32 2.31 -0.08 0.00 -1.52 0.00 0.00 31.29 32.33 2ch0 h VAL 21 CO -0.00 0.70 0.59 1.62 0.02 0.00 0.00 177.57 180.50 2ch0 h VAL 22 N 0.22 0.77 -0.03 2.57 3.04 -1.51 -0.53 116.25 120.78 2ch0 h VAL 22 Ca -0.05 -0.22 -0.17 0.00 -1.01 0.00 0.00 66.70 65.25 2ch0 h VAL 22 Cb 1.46 0.08 -0.01 0.00 -2.01 0.00 0.00 31.29 30.81 2ch0 h VAL 22 CO 0.14 0.12 -0.75 0.07 -1.01 0.00 0.00 177.57 176.13 2ch0 h LYS 23 N 0.63 0.21 -0.15 4.17 -0.00 -1.77 -3.34 116.57 116.31 2ch0 h LYS 23 Ca 0.48 -0.18 -0.15 0.00 -0.00 0.00 0.00 60.65 60.79 2ch0 h LYS 23 Cb 0.86 0.04 -0.01 0.00 -0.00 0.00 0.00 32.23 33.13 2ch0 h LYS 23 CO -0.23 0.86 -0.55 0.82 -0.00 0.00 0.00 179.45 180.36 2ch0 h ILE 24 N 0.13 1.34 -0.12 0.07 2.04 -1.36 -3.24 117.51 116.37 2ch0 h ILE 24 Ca -0.03 -1.81 0.02 0.00 1.00 0.00 0.00 64.86 64.04 2ch0 h ILE 24 Cb 1.32 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 39.21 2ch0 h ILE 24 CO 0.11 0.55 0.08 0.16 0.00 0.00 0.00 178.15 179.06 2ch0 h ILE 25 N 0.35 0.97 -0.76 -0.67 3.07 -1.31 -2.37 117.51 116.79 2ch0 h ILE 25 Ca 0.01 -0.02 0.00 0.00 1.55 0.00 0.00 64.86 66.40 2ch0 h ILE 25 Cb 1.07 0.91 -0.04 0.00 -0.27 0.00 0.00 36.82 38.49 2ch0 h ILE 25 CO 0.10 0.01 0.48 0.44 -1.05 0.00 0.00 178.15 178.13 2ch0 h ASP 26 N 0.06 0.89 -0.21 2.16 3.32 -1.74 -0.60 116.42 120.30 2ch0 h ASP 26 Ca 0.05 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.06 2ch0 h ASP 26 Cb 0.13 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 2ch0 h ASP 26 CO -0.01 0.66 0.12 0.58 -1.72 0.00 0.00 179.24 178.88 2ch0 h VAL 27 N 1.04 1.10 0.10 -1.35 2.07 -1.55 -2.68 116.25 114.98 2ch0 h VAL 27 Ca 0.28 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 2ch0 h VAL 27 Cb -0.08 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 2ch0 h VAL 27 CO -0.06 0.10 -0.05 -0.07 0.02 0.00 0.00 177.57 177.51 2ch0 h LEU 28 N 0.24 -0.12 -2.34 2.57 -0.00 -1.49 -3.35 115.31 110.82 2ch0 h LEU 28 Ca 0.07 -0.44 0.01 0.00 -0.00 0.00 0.00 57.88 57.52 2ch0 h LEU 28 Cb 0.05 0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 40.74 2ch0 h LEU 28 CO -0.01 0.44 0.03 0.08 -0.00 0.00 0.00 178.44 178.97 2ch0 h ARG 29 N -0.74 0.00 -0.00 1.13 0.11 -1.22 -3.22 114.38 110.44 2ch0 h ARG 29 Ca -0.01 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.06 2ch0 h ARG 29 Cb 0.55 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.63 2ch0 h ARG 29 CO 0.02 0.00 -0.00 0.77 0.10 0.00 0.00 179.97 180.86 2ch0 h SER 30 N 0.00 0.00 0.17 0.08 0.02 -1.62 -3.20 113.55 109.01 2ch0 h SER 30 Ca 0.01 -0.61 -0.10 0.00 -0.84 0.00 0.00 61.79 60.25 2ch0 h SER 30 Cb 0.07 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 2ch0 h SER 30 CO -0.00 0.62 -0.35 1.12 -1.14 0.00 0.00 176.83 177.07 2ch0 h HIS 31 N -0.61 0.30 -0.46 3.45 2.07 -1.69 -3.27 115.15 114.95 2ch0 h HIS 31 Ca -0.00 -0.07 0.13 0.00 -2.85 0.00 0.00 60.37 57.58 2ch0 h HIS 31 Cb 0.62 -0.07 -0.02 0.00 2.57 0.00 0.00 27.41 30.51 2ch0 h HIS 31 CO 0.14 0.59 0.33 -0.91 -3.07 0.00 0.00 177.93 175.01 2ch0 h ASN 32 N 0.23 0.01 -0.25 3.10 2.35 -1.60 0.23 115.58 119.65 2ch0 h ASN 32 Ca 0.03 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 2ch0 h ASN 32 Cb 0.74 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 2ch0 h ASN 32 CO 0.06 0.01 -0.11 -0.33 -1.65 0.00 0.00 177.43 175.40 2ch0 h GLU 33 N 0.01 0.52 0.00 0.81 4.39 -1.60 -1.96 114.58 116.76 2ch0 h GLU 33 Ca 0.22 -0.22 -0.10 0.00 0.34 0.00 0.00 59.36 59.59 2ch0 h GLU 33 Cb 0.86 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.48 2ch0 h GLU 33 CO -0.01 0.77 -0.49 0.00 -1.16 0.00 0.00 179.01 178.12 2ch0 h ALA 34 N 0.74 0.88 -0.03 3.43 0.00 -1.72 -3.35 119.26 119.22 2ch0 h ALA 34 Ca 0.06 -0.45 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 2ch0 h ALA 34 Cb 0.61 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2ch0 h ALA 34 CO 0.03 0.62 -0.62 0.00 0.00 0.00 0.00 179.25 179.29 2ch0 n GLN 36 N -3.83 0.00 0.00 0.00 -0.00 -0.75 -3.05 117.38 109.75 2ch0 n GLN 36 Ca -0.02 0.45 0.00 0.00 -0.00 0.00 0.00 57.00 57.43 2ch0 n GLN 36 Cb 0.62 -1.54 0.00 0.00 -0.00 0.00 0.00 30.24 29.31 2ch0 n GLN 36 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 2ch0 n GLU 37 N -1.45 0.00 -3.88 2.61 4.07 -1.17 -4.56 120.64 116.26 2ch0 n GLU 37 Ca 0.00 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 56.75 2ch0 n GLU 37 Cb 0.04 -0.62 -0.13 0.00 -0.06 0.00 0.00 31.44 30.67 2ch0 n GLU 37 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 2ch0 s ASN 38 N -4.48 4.99 0.11 4.31 0.01 -0.35 -4.46 114.94 115.08 2ch0 s ASN 38 Ca 0.00 -1.70 -0.04 0.00 -0.71 0.00 0.00 52.86 50.41 2ch0 s ASN 38 Cb 0.00 -1.74 0.16 0.00 0.41 0.00 0.00 41.25 40.09 2ch0 s ASN 38 CO 0.00 -0.38 0.61 1.17 -1.51 0.00 0.00 177.10 176.98 2ch0 n LYS 39 N 4.55 -0.04 -3.13 -0.60 0.00 -1.25 -1.98 118.16 115.71 2ch0 n LYS 39 Ca -0.06 0.61 -0.13 0.00 0.00 0.00 0.00 58.31 58.72 2ch0 n LYS 39 Cb 0.42 -0.91 -0.04 0.00 0.00 0.00 0.00 35.03 34.50 2ch0 n LYS 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2ch0 s ASP 40 N -5.11 -0.05 0.33 3.14 1.11 -1.26 -0.09 116.67 114.75 2ch0 s ASP 40 Ca -0.06 -1.97 0.26 0.00 0.18 0.00 0.00 52.55 50.96 2ch0 s ASP 40 Cb 0.10 0.94 0.99 0.00 1.07 0.00 0.00 42.92 46.02 2ch0 s ASP 40 CO 0.30 -0.15 1.78 0.17 1.18 0.00 0.00 175.17 178.45 2ch0 h LEU 41 N 5.87 0.00 -3.69 1.23 8.10 -1.70 -2.89 115.31 122.23 2ch0 h LEU 41 Ca 0.12 0.00 -0.48 0.00 0.11 0.00 0.00 57.88 57.62 2ch0 h LEU 41 Cb 1.05 0.00 -0.23 0.00 -0.44 0.00 0.00 40.66 41.04 2ch0 h LEU 41 CO 0.16 0.00 0.62 1.67 -4.11 0.00 0.00 178.44 176.78 2ch0 n GLN 42 N -2.50 2.18 0.16 0.17 0.00 -1.26 -4.93 117.38 111.20 2ch0 n GLN 42 Ca 0.03 -2.44 0.19 0.00 -0.00 0.00 0.00 57.00 54.77 2ch0 n GLN 42 Cb 0.31 -1.96 0.79 0.00 0.00 0.00 0.00 30.24 29.38 2ch0 n GLN 42 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 2ch0 h PRO 43 N 1.45 0.00 -1.81 3.69 0.13 -1.74 -3.27 132.00 130.45 2ch0 h PRO 43 Ca 0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.60 2ch0 h PRO 43 Cb 1.35 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.27 2ch0 h PRO 43 CO 1.10 0.00 0.32 0.71 -0.23 0.00 0.00 178.00 179.91 2ch0 s TYR 44 N -4.59 -0.57 -0.00 1.56 2.02 -1.26 -4.58 117.35 109.93 2ch0 s TYR 44 Ca -0.04 1.09 -0.10 0.00 -0.37 0.00 0.00 57.07 57.65 2ch0 s TYR 44 Cb 0.15 0.40 0.01 0.00 -0.40 0.00 0.00 41.96 42.11 2ch0 s TYR 44 CO 0.53 -0.45 0.19 -1.64 -1.57 0.00 0.00 175.55 172.62 2ch0 s MET 45 N -0.76 0.55 0.86 -0.62 -1.94 -0.62 -5.00 119.30 111.77 2ch0 s MET 45 Ca -0.05 -0.34 -0.12 0.00 -1.71 0.00 0.00 55.69 53.47 2ch0 s MET 45 Cb -0.01 0.23 0.11 0.00 2.01 0.00 0.00 34.83 37.17 2ch0 s MET 45 CO 0.04 -0.14 1.15 -1.25 -0.01 0.00 0.00 175.02 174.81 2ch0 s PRO 46 N -1.39 1.56 0.13 2.03 0.04 -1.26 -1.48 135.00 134.63 2ch0 s PRO 46 Ca -0.14 0.27 -0.17 0.00 0.04 0.00 0.00 61.00 61.00 2ch0 s PRO 46 Cb -0.07 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 2ch0 s PRO 46 CO 0.02 -1.90 1.72 0.82 0.04 0.00 0.00 177.00 177.70 2ch0 h ILE 47 N -1.28 1.15 0.00 0.56 2.04 -1.94 -1.61 117.51 116.42 2ch0 h ILE 47 Ca -0.49 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 64.98 2ch0 h ILE 47 Cb 1.32 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 2ch0 h ILE 47 CO 0.63 0.15 0.39 -0.81 0.00 0.00 0.00 178.15 178.51 2ch0 n PRO 48 N -4.77 0.07 -0.17 2.37 -0.05 -1.26 -0.89 135.00 130.30 2ch0 n PRO 48 Ca -0.01 0.54 -0.06 0.00 -0.05 0.00 0.00 63.50 63.93 2ch0 n PRO 48 Cb 0.09 -2.13 0.04 0.00 -0.05 0.00 0.00 33.50 31.45 2ch0 n PRO 48 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 175.50 176.70 2ch0 h HIS 49 N 0.00 0.54 0.02 0.54 -0.00 -1.65 1.04 115.15 115.64 2ch0 h HIS 49 Ca 0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.39 2ch0 h HIS 49 Cb 0.79 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 28.03 2ch0 h HIS 49 CO 0.00 0.30 -0.01 -0.39 -0.00 0.00 0.00 177.93 177.83 2ch0 h VAL 50 N 0.57 1.46 0.00 5.26 -1.51 -1.71 -3.33 116.25 117.00 2ch0 h VAL 50 Ca 0.20 -1.80 -0.02 0.00 -1.23 0.00 0.00 66.70 63.85 2ch0 h VAL 50 Cb 0.04 2.63 -0.00 0.00 -2.13 0.00 0.00 31.29 31.83 2ch0 h VAL 50 CO -0.10 0.44 -0.12 0.03 -1.23 0.00 0.00 177.57 176.59 2ch0 h ARG 51 N -0.85 0.00 0.00 5.19 3.08 -1.01 -3.11 114.38 117.68 2ch0 h ARG 51 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2ch0 h ARG 51 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.80 2ch0 h ARG 51 CO 0.00 0.12 0.00 0.22 -1.07 0.00 0.00 179.97 179.24 2ch0 h ASP 52 N 0.00 0.00 0.76 7.04 3.58 0.98 -3.39 116.42 125.38 2ch0 h ASP 52 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ch0 h ASP 52 Cb 0.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.27 2ch0 h ASP 52 CO 0.02 0.00 -0.92 -1.20 -2.88 0.00 0.00 179.24 174.26 2ch0 n SER 53 N -2.37 0.70 0.26 2.28 7.64 -1.17 -4.35 113.62 116.61 2ch0 n SER 53 Ca 0.05 0.10 0.13 0.00 1.01 0.00 0.00 58.87 60.16 2ch0 n SER 53 Cb 0.41 0.50 0.70 0.00 -1.01 0.00 0.00 64.21 64.82 2ch0 n SER 53 CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 2ch0 h LEU 54 N 0.00 0.00 -7.53 -3.43 -0.00 -1.76 -3.41 115.31 99.18 2ch0 h LEU 54 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.76 2ch0 h LEU 54 Cb 0.84 0.00 -0.20 0.00 -0.00 0.00 0.00 40.66 41.29 2ch0 h LEU 54 CO 0.00 0.12 -0.30 -0.63 -0.00 0.00 0.00 178.44 177.63 2ch0 s ILE 55 N -4.05 0.06 -0.15 0.15 -1.09 -1.26 -5.05 121.20 109.80 2ch0 s ILE 55 Ca -0.02 -0.47 -0.10 0.00 -2.23 0.00 0.00 60.65 57.83 2ch0 s ILE 55 Cb 0.12 -0.59 -0.24 0.00 -1.58 0.00 0.00 42.46 40.17 2ch0 s ILE 55 CO 0.58 -0.26 0.29 1.67 -1.23 0.00 0.00 174.94 176.00 2ch0 n GLN 56 N 1.38 0.71 0.00 2.79 7.27 -1.26 -4.54 117.38 123.73 2ch0 n GLN 56 Ca -0.21 0.32 0.00 0.00 0.07 0.00 0.00 57.00 57.18 2ch0 n GLN 56 Cb 0.56 -1.70 0.00 0.00 2.41 0.00 0.00 30.24 31.51 2ch0 n GLN 56 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 2ch0 n PRO 57 N -3.68 1.17 0.18 3.69 -0.04 -1.26 -4.78 135.00 130.28 2ch0 n PRO 57 Ca -0.33 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.17 2ch0 n PRO 57 Cb 0.97 0.00 0.31 0.00 -0.04 0.00 0.00 33.50 34.74 2ch0 n PRO 57 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2ch0 h HIS 58 N 0.00 0.00 -0.09 0.54 -0.00 -2.04 -3.13 115.15 110.43 2ch0 h HIS 58 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2ch0 h HIS 58 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2ch0 h HIS 58 CO 0.00 0.43 0.00 -0.25 -0.00 0.00 0.00 177.93 178.11 2ch0 n ASP 59 N -3.67 1.06 -0.27 3.26 8.00 -1.26 -4.51 116.55 119.16 2ch0 n ASP 59 Ca -0.01 -1.57 0.07 0.00 0.71 0.00 0.00 54.79 53.99 2ch0 n ASP 59 Cb 0.51 -0.06 0.19 0.00 -0.02 0.00 0.00 41.12 41.75 2ch0 n ASP 59 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 2ch0 h ARG 60 N 1.45 0.13 0.00 -1.24 -0.00 -1.78 -1.12 114.38 111.82 2ch0 h ARG 60 Ca 0.00 -0.01 -0.05 0.00 -0.00 0.00 0.00 59.98 59.92 2ch0 h ARG 60 Cb 0.32 -0.03 -0.01 0.00 -0.00 0.00 0.00 29.97 30.25 2ch0 h ARG 60 CO 0.00 0.09 -0.26 -0.22 -0.00 0.00 0.00 179.97 179.58 2ch0 h LYS 61 N 0.14 0.00 -0.85 0.08 3.11 -1.87 -3.37 116.57 113.80 2ch0 h LYS 61 Ca 0.45 0.00 0.23 0.00 -2.81 0.00 0.00 60.65 58.52 2ch0 h LYS 61 Cb 0.82 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 32.01 2ch0 h LYS 61 CO -0.66 0.26 0.60 -0.22 -2.81 0.00 0.00 179.45 176.62 2ch0 h LYS 62 N 0.00 0.11 -0.29 1.90 3.11 -1.52 -0.91 116.57 118.97 2ch0 h LYS 62 Ca -0.00 -0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 2ch0 h LYS 62 Cb 0.73 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.93 2ch0 h LYS 62 CO 0.03 0.07 0.00 -1.33 -2.81 0.00 0.00 179.45 175.42 2ch0 n MET 63 N -4.35 2.49 0.01 1.90 2.81 -1.26 -4.37 117.12 114.35 2ch0 n MET 63 Ca 0.18 -1.91 -0.12 0.00 -1.81 0.00 0.00 57.70 54.04 2ch0 n MET 63 Cb 0.85 -1.26 0.01 0.00 -0.71 0.00 0.00 33.22 32.11 2ch0 n MET 63 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2ch0 h LYS 64 N 2.06 0.59 -0.64 0.03 3.64 -1.32 -2.60 116.57 118.32 2ch0 h LYS 64 Ca 0.00 -0.42 -0.04 0.00 -1.27 0.00 0.00 60.65 58.92 2ch0 h LYS 64 Cb 0.69 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.55 2ch0 h LYS 64 CO 0.00 1.04 0.25 -0.22 -2.27 0.00 0.00 179.45 178.25 2ch0 h LYS 65 N 0.43 0.96 -0.02 1.90 3.64 -1.73 -2.95 116.57 118.79 2ch0 h LYS 65 Ca -0.01 -0.18 -0.13 0.00 -1.27 0.00 0.00 60.65 59.06 2ch0 h LYS 65 Cb 1.22 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 2ch0 h LYS 65 CO 0.12 0.81 -0.59 -0.24 -2.27 0.00 0.00 179.45 177.28 2ch0 h VAL 66 N 0.90 1.42 -0.94 2.00 3.04 -1.79 -3.27 116.25 117.61 2ch0 h VAL 66 Ca 0.21 -2.01 0.20 0.00 -1.01 0.00 0.00 66.70 64.09 2ch0 h VAL 66 Cb 0.22 2.07 -0.08 0.00 -2.01 0.00 0.00 31.29 31.49 2ch0 h VAL 66 CO -0.02 0.58 0.61 -0.25 -1.01 0.00 0.00 177.57 177.48 2ch0 h TRP 67 N 0.04 0.70 -0.88 3.17 2.91 -1.28 0.22 115.95 120.83 2ch0 h TRP 67 Ca -0.01 0.02 0.10 0.00 1.13 0.00 0.00 58.89 60.14 2ch0 h TRP 67 Cb 1.06 -0.21 -0.08 0.00 -0.51 0.00 0.00 29.16 29.42 2ch0 h TRP 67 CO 0.01 0.18 0.52 0.22 -1.03 0.00 0.00 178.44 178.33 2ch0 h ASP 68 N 0.52 0.75 0.01 2.65 3.58 -1.62 -0.15 116.42 122.15 2ch0 h ASP 68 Ca 0.50 0.05 -0.06 0.00 0.42 0.00 0.00 57.03 57.94 2ch0 h ASP 68 Cb 1.09 -0.10 0.01 0.00 1.72 0.00 0.00 39.33 42.05 2ch0 h ASP 68 CO -0.23 0.41 -0.25 -0.09 -2.88 0.00 0.00 179.24 176.20 2ch0 h ARG 69 N 0.85 0.14 -0.50 0.28 9.65 -1.52 -3.38 114.38 119.90 2ch0 h ARG 69 Ca 0.43 -0.17 0.09 0.00 -1.10 0.00 0.00 59.98 59.22 2ch0 h ARG 69 Cb 0.40 0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.01 2ch0 h ARG 69 CO -0.25 0.95 0.34 0.00 2.80 0.00 0.00 179.97 183.81 2ch0 h ALA 70 N 0.20 2.08 -0.38 2.80 0.00 -0.33 -2.29 119.26 121.33 2ch0 h ALA 70 Ca -0.03 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.91 2ch0 h ALA 70 Cb 1.05 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2ch0 h ALA 70 CO 0.05 -0.19 0.26 0.28 0.00 0.00 0.00 179.25 179.64 2ch0 h VAL 71 N 0.30 0.97 -0.68 0.00 2.07 -1.20 -2.85 116.25 114.87 2ch0 h VAL 71 Ca 0.23 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.68 2ch0 h VAL 71 Cb 0.52 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 2ch0 h VAL 71 CO -0.05 0.06 0.42 -0.78 0.02 0.00 0.00 177.57 177.23 2ch0 h ASP 72 N 0.31 0.67 -0.10 0.57 3.58 -1.60 0.26 116.42 120.12 2ch0 h ASP 72 Ca 0.16 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.59 2ch0 h ASP 72 Cb 0.25 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.16 2ch0 h ASP 72 CO -0.04 0.46 -0.03 -0.26 -2.88 0.00 0.00 179.24 176.49 2ch0 h PHE 73 N 0.81 0.22 0.29 0.28 0.04 -1.68 -2.98 116.94 113.92 2ch0 h PHE 73 Ca 0.28 -0.05 -0.01 0.00 2.80 0.00 0.00 57.97 60.98 2ch0 h PHE 73 Cb 0.05 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.15 2ch0 h PHE 73 CO -0.05 0.53 -0.14 1.25 -0.60 0.00 0.00 178.31 179.29 2ch0 h LEU 74 N -0.15 -0.33 -1.76 1.54 5.85 -1.37 -3.36 115.31 115.72 2ch0 h LEU 74 Ca 0.02 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 2ch0 h LEU 74 Cb 0.46 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 2ch0 h LEU 74 CO 0.01 -0.03 -0.02 0.00 -0.34 0.00 0.00 178.44 178.07 2ch0 h ALA 75 N -0.05 1.02 -0.06 1.25 0.00 -0.62 -1.03 119.26 119.76 2ch0 h ALA 75 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2ch0 h ALA 75 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2ch0 h ALA 75 CO 0.07 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.34 2ch0 n ALA 76 N -2.11 2.55 0.00 0.00 0.00 -1.13 -4.10 120.51 115.72 2ch0 n ALA 76 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2ch0 n ALA 76 Cb 0.26 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.57 2ch0 n ALA 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2ch0 n ASN 77 N -0.39 0.00 0.00 0.00 4.13 -1.18 -5.05 115.26 112.76 2ch0 n ASN 77 Ca 0.10 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.36 2ch0 n ASN 77 Cb 0.11 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.35 2ch0 n ASN 77 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 2ch0 n GLU 78 N -1.66 0.00 0.00 3.52 2.13 -0.40 -5.08 120.64 119.15 2ch0 n GLU 78 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2ch0 n GLU 78 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2ch0 n GLU 78 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 2ch0 n SER 79 N 0.00 0.00 0.00 4.31 3.41 -1.26 -4.83 113.62 115.25 2ch0 n SER 79 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2ch0 n SER 79 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2ch0 n SER 79 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2ch0 n ARG 80 N 0.00 0.00 -2.57 4.33 1.74 -1.26 -4.87 116.66 114.03 2ch0 n ARG 80 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 2ch0 n ARG 80 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.42 2ch0 n ARG 80 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2ch0 s VAL 81 N 0.00 4.51 -0.05 1.55 1.01 -1.26 -4.77 120.40 121.38 2ch0 s VAL 81 Ca 0.00 1.80 -0.16 0.00 0.00 0.00 0.00 61.98 63.63 2ch0 s VAL 81 Cb 0.00 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 2ch0 s VAL 81 CO 0.00 -0.23 0.41 -0.60 0.00 0.00 0.00 175.10 174.68 2ch0 s ARG 82 N 3.42 4.08 -0.39 2.72 3.52 -0.17 -4.77 118.95 127.36 2ch0 s ARG 82 Ca 0.48 0.39 -0.24 0.00 -0.13 0.00 0.00 55.73 56.23 2ch0 s ARG 82 Cb -0.17 -3.31 0.02 0.00 -1.56 0.00 0.00 34.95 29.93 2ch0 s ARG 82 CO 0.11 0.48 0.82 0.95 -0.81 0.00 0.00 175.30 176.85 2ch0 s THR 83 N -0.40 4.66 0.01 4.11 -4.23 -1.26 -1.54 115.64 117.00 2ch0 s THR 83 Ca 0.23 0.83 0.01 0.00 -1.18 0.00 0.00 61.69 61.58 2ch0 s THR 83 Cb -0.16 -4.28 -0.01 0.00 1.34 0.00 0.00 72.50 69.40 2ch0 s THR 83 CO 0.11 -0.55 -0.04 -0.70 -0.54 0.00 0.00 174.62 172.91 2ch0 s GLU 84 N 3.27 0.28 -0.44 3.99 2.12 -0.63 -4.92 118.70 122.37 2ch0 s GLU 84 Ca 0.33 -0.30 -0.22 0.00 0.36 0.00 0.00 54.97 55.14 2ch0 s GLU 84 Cb -0.12 -0.16 0.02 0.00 0.26 0.00 0.00 34.13 34.13 2ch0 s GLU 84 CO 0.19 0.04 0.74 0.95 -0.54 0.00 0.00 175.26 176.64 2ch0 s THR 85 N -0.53 4.71 0.07 -1.70 -4.23 -1.26 -1.07 115.64 111.63 2ch0 s THR 85 Ca -0.04 0.40 0.00 0.00 -1.18 0.00 0.00 61.69 60.87 2ch0 s THR 85 Cb -0.04 -4.27 -0.04 0.00 1.34 0.00 0.00 72.50 69.48 2ch0 s THR 85 CO -0.00 -0.65 -0.05 -0.13 -0.54 0.00 0.00 174.62 173.25 2ch0 s ARG 86 N 3.14 0.72 -0.37 3.99 1.81 -1.00 -4.92 118.95 122.32 2ch0 s ARG 86 Ca 0.28 -1.26 -0.21 0.00 -1.72 0.00 0.00 55.73 52.82 2ch0 s ARG 86 Cb -0.13 -0.01 0.01 0.00 -0.45 0.00 0.00 34.95 34.37 2ch0 s ARG 86 CO 0.21 -0.06 0.65 0.50 -0.68 0.00 0.00 175.30 175.92 2ch0 s ARG 87 N -3.81 3.65 -0.04 3.54 3.52 -1.26 -1.98 118.95 122.56 2ch0 s ARG 87 Ca 0.09 0.04 -0.01 0.00 -0.13 0.00 0.00 55.73 55.72 2ch0 s ARG 87 Cb 0.06 -3.82 0.03 0.00 -1.56 0.00 0.00 34.95 29.66 2ch0 s ARG 87 CO -0.07 -0.78 0.02 0.96 -0.81 0.00 0.00 175.30 174.62 2ch0 s ILE 88 N 2.77 0.10 -0.69 4.11 -0.00 0.82 -4.75 121.20 123.56 2ch0 s ILE 88 Ca 0.25 0.23 0.00 0.00 -0.00 0.00 0.00 60.65 61.13 2ch0 s ILE 88 Cb -0.14 -0.27 0.00 0.00 -0.00 0.00 0.00 42.46 42.05 2ch0 s ILE 88 CO 0.16 0.18 0.00 0.61 -0.00 0.00 0.00 174.94 175.88 2ch0 n GLY 89 N 4.77 0.88 1.74 6.27 0.00 -1.26 -2.71 105.19 114.88 2ch0 n GLY 89 Ca -0.14 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.16 2ch0 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ch0 n GLY 90 N -2.15 0.50 2.95 -0.02 0.00 -1.26 -5.07 105.19 100.13 2ch0 n GLY 90 Ca -0.06 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 2ch0 n GLY 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ch0 s ALA 91 N -2.00 0.19 -0.50 4.61 0.00 -1.10 -5.09 121.76 117.87 2ch0 s ALA 91 Ca 0.00 -0.34 -0.25 0.00 0.00 0.00 0.00 51.96 51.37 2ch0 s ALA 91 Cb 0.00 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.19 2ch0 s ALA 91 CO 0.00 -0.04 0.93 0.34 0.00 0.00 0.00 175.76 176.99 2ch0 s ASP 92 N -0.74 6.43 0.20 0.00 2.15 -1.26 -0.13 116.67 123.33 2ch0 s ASP 92 Ca -0.07 -0.07 0.10 0.00 0.43 0.00 0.00 52.55 52.94 2ch0 s ASP 92 Cb -0.05 -2.44 -0.04 0.00 -0.30 0.00 0.00 42.92 40.08 2ch0 s ASP 92 CO -0.00 -1.12 -0.20 -0.36 -0.17 0.00 0.00 175.17 173.31 2ch0 s PHE 93 N 3.84 2.06 -0.47 -5.34 0.08 -0.84 -4.90 117.98 112.40 2ch0 s PHE 93 Ca 0.34 -0.41 -0.24 0.00 0.12 0.00 0.00 56.93 56.74 2ch0 s PHE 93 Cb -0.11 -0.99 0.03 0.00 -0.57 0.00 0.00 43.02 41.38 2ch0 s PHE 93 CO 0.23 0.47 0.84 -1.17 -0.10 0.00 0.00 175.22 175.49 2ch0 s LEU 94 N -2.89 4.20 0.10 -0.37 2.96 -1.26 -2.38 118.68 119.03 2ch0 s LEU 94 Ca 0.21 -0.14 0.10 0.00 -0.22 0.00 0.00 54.13 54.07 2ch0 s LEU 94 Cb -0.06 -2.97 -0.04 0.00 0.50 0.00 0.00 46.19 43.63 2ch0 s LEU 94 CO 0.09 -1.01 -0.24 0.54 -1.32 0.00 0.00 176.35 174.42 2ch0 s VAL 95 N 3.49 2.40 -0.19 1.68 0.11 -0.23 -4.46 120.40 123.20 2ch0 s VAL 95 Ca 0.31 -1.56 -0.08 0.00 -2.93 0.00 0.00 61.98 57.72 2ch0 s VAL 95 Cb -0.12 -2.04 -0.04 0.00 -1.53 0.00 0.00 36.38 32.65 2ch0 s VAL 95 CO 0.22 0.19 0.09 0.86 -3.33 0.00 0.00 175.10 173.13 2ch0 s TRP 96 N -1.00 3.29 0.00 1.54 -0.11 -0.55 -1.61 118.94 120.51 2ch0 s TRP 96 Ca 0.14 0.14 -0.07 0.00 1.22 0.00 0.00 56.10 57.54 2ch0 s TRP 96 Cb -0.10 -2.12 -0.00 0.00 -1.50 0.00 0.00 33.47 29.75 2ch0 s TRP 96 CO 0.06 0.17 0.12 -0.98 -4.62 0.00 0.00 176.95 171.70 2ch0 s ARG 97 N 0.46 0.47 0.06 5.86 1.70 -0.59 -1.58 118.95 125.32 2ch0 s ARG 97 Ca 0.05 -0.42 0.08 0.00 -0.47 0.00 0.00 55.73 54.97 2ch0 s ARG 97 Cb -0.12 0.19 -0.03 0.00 -0.57 0.00 0.00 34.95 34.42 2ch0 s ARG 97 CO 0.00 -0.11 -0.23 -0.46 -1.08 0.00 0.00 175.30 173.42 2ch0 s TRP 98 N -1.39 1.97 -0.27 5.89 -0.11 -1.23 -1.00 118.94 122.80 2ch0 s TRP 98 Ca -0.15 -0.39 0.02 0.00 1.22 0.00 0.00 56.10 56.80 2ch0 s TRP 98 Cb -0.08 -1.16 0.07 0.00 -1.50 0.00 0.00 33.47 30.81 2ch0 s TRP 98 CO 0.01 0.13 -0.02 0.96 -4.62 0.00 0.00 176.95 173.41 2ch0 s ILE 99 N -0.85 1.73 -0.19 5.86 -4.36 -1.26 -4.50 121.20 117.63 2ch0 s ILE 99 Ca 0.09 -1.59 -0.20 0.00 -0.26 0.00 0.00 60.65 58.69 2ch0 s ILE 99 Cb -0.09 -2.08 -0.03 0.00 1.25 0.00 0.00 42.46 41.51 2ch0 s ILE 99 CO 0.02 -0.28 0.58 -1.58 0.24 0.00 0.00 174.94 173.92 2ch0 s GLN 100 N 1.25 4.22 0.07 0.37 -0.44 0.88 -5.03 119.66 120.98 2ch0 s GLN 100 Ca -0.00 0.54 -0.31 0.00 -2.50 0.00 0.00 55.36 53.09 2ch0 s GLN 100 Cb -0.19 -3.56 -0.07 0.00 -1.64 0.00 0.00 33.01 27.55 2ch0 s GLN 100 CO -0.09 -0.18 1.33 -2.14 0.50 0.00 0.00 175.29 174.71 2ch0 s PRO 101 N 1.71 4.35 0.00 1.67 0.02 -1.26 -4.34 135.00 137.15 2ch0 s PRO 101 Ca 0.27 1.95 0.00 0.00 0.02 0.00 0.00 61.00 63.24 2ch0 s PRO 101 Cb -0.16 -3.35 0.00 0.00 0.02 0.00 0.00 34.50 31.02 2ch0 s PRO 101 CO 0.10 -0.40 0.00 0.45 -0.33 0.00 0.00 177.00 176.82 2ch0 n SER 102 N 4.23 0.00 0.00 2.53 2.88 -1.26 -4.83 113.62 117.17 2ch0 n SER 102 Ca 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.65 2ch0 n SER 102 Cb 0.44 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.90 2ch0 n SER 102 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ch0 n ALA 103 N 0.00 0.00 0.04 -1.46 0.00 -1.26 -4.33 120.51 113.50 2ch0 n ALA 103 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 2ch0 n ALA 103 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.57 2ch0 n ALA 103 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ch0 n SER 104 N 1.47 3.28 0.06 0.00 7.64 -1.26 -3.94 113.62 120.86 2ch0 n SER 104 Ca 0.00 -2.62 -0.17 0.00 1.01 0.00 0.00 58.87 57.08 2ch0 n SER 104 Cb 0.00 -0.63 -0.14 0.00 -1.01 0.00 0.00 64.21 62.43 2ch0 n SER 104 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ch0 n ASP 106 N -3.44 -1.97 0.10 0.00 2.03 -1.26 -5.05 116.55 106.95 2ch0 n ASP 106 Ca -0.18 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 54.96 2ch0 n ASP 106 Cb 1.05 -0.65 -0.12 0.00 -0.72 0.00 0.00 41.12 40.68 2ch0 n ASP 106 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2ch0 h LYS 107 N 0.00 0.39 0.18 -0.67 3.64 -1.89 -3.41 116.57 114.81 2ch0 h LYS 107 Ca 0.00 -0.57 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 2ch0 h LYS 107 Cb 0.99 0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.97 2ch0 h LYS 107 CO 0.00 1.24 -0.45 0.97 -2.27 0.00 0.00 179.45 178.94 2ch0 h ILE 108 N 0.15 0.00 -1.37 2.00 6.09 -1.96 -3.46 117.51 118.96 2ch0 h ILE 108 Ca -0.14 0.00 0.14 0.00 -1.37 0.00 0.00 64.86 63.48 2ch0 h ILE 108 Cb 1.89 0.00 -0.28 0.00 0.47 0.00 0.00 36.82 38.90 2ch0 h ILE 108 CO 0.21 0.00 0.42 -0.22 -3.07 0.00 0.00 178.15 175.49 2ch0 s LEU 109 N -9.35 -0.44 0.00 2.19 0.20 -1.26 -5.06 118.68 104.95 2ch0 s LEU 109 Ca -0.14 0.68 0.30 0.00 0.69 0.00 0.00 54.13 55.66 2ch0 s LEU 109 Cb 0.05 1.62 1.41 0.00 -0.43 0.00 0.00 46.19 48.84 2ch0 s LEU 109 CO 0.51 -0.11 1.96 0.52 -0.29 0.00 0.00 176.35 178.95 2ch0 n VAL 110 N 3.78 0.00 -4.02 1.68 0.31 -1.26 -4.51 118.33 114.31 2ch0 n VAL 110 Ca -0.17 -0.08 -0.31 0.00 -0.01 0.00 0.00 64.34 63.77 2ch0 n VAL 110 Cb 0.57 -0.12 -0.15 0.00 -0.91 0.00 0.00 33.84 33.22 2ch0 n VAL 110 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2ch0 s ILE 111 N -2.25 2.14 -2.53 2.52 1.09 -1.26 -5.00 121.20 115.92 2ch0 s ILE 111 Ca 0.36 -1.99 0.28 0.00 -1.10 0.00 0.00 60.65 58.20 2ch0 s ILE 111 Cb 0.21 -2.45 0.53 0.00 -1.06 0.00 0.00 42.46 39.68 2ch0 s ILE 111 CO 0.42 -0.37 1.71 -0.81 -0.10 0.00 0.00 174.94 175.79 2ch0 n PRO 112 N 4.36 1.71 0.00 2.79 -0.04 -1.26 -4.99 135.00 137.57 2ch0 n PRO 112 Ca -0.04 -1.03 0.00 0.00 -0.04 0.00 0.00 63.50 62.39 2ch0 n PRO 112 Cb 0.42 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 2ch0 n PRO 112 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2ch0 n SER 113 N 0.25 0.00 -2.57 3.54 3.41 -1.26 -4.87 113.62 112.12 2ch0 n SER 113 Ca 0.19 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.71 2ch0 n SER 113 Cb 0.37 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.34 2ch0 n SER 113 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2ch0 n LYS 114 N 0.00 0.92 -3.97 4.33 2.85 -1.26 -5.16 118.16 115.88 2ch0 n LYS 114 Ca 0.00 -2.00 -0.34 0.00 -1.05 0.00 0.00 58.31 54.91 2ch0 n LYS 114 Cb 0.00 2.39 -0.14 0.00 -0.65 0.00 0.00 35.03 36.63 2ch0 n LYS 114 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 2ch0 s VAL 115 N -2.31 2.90 -1.61 0.58 -7.23 -1.26 -5.04 120.40 106.43 2ch0 s VAL 115 Ca 0.15 -0.87 -0.10 0.00 -1.81 0.00 0.00 61.98 59.35 2ch0 s VAL 115 Cb -0.04 -2.40 -0.07 0.00 0.56 0.00 0.00 36.38 34.43 2ch0 s VAL 115 CO 0.11 0.31 2.89 0.79 -0.31 0.00 0.00 175.10 178.89 2ch0 n TRP 116 N 4.70 2.53 0.00 2.82 8.01 -1.26 -4.71 117.44 129.52 2ch0 n TRP 116 Ca -0.18 -3.08 0.00 0.00 -1.31 0.00 0.00 57.50 52.93 2ch0 n TRP 116 Cb 0.48 -2.50 0.00 0.00 -2.01 0.00 0.00 31.31 27.29 2ch0 n TRP 116 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 2ch0 n GLN 117 N 3.79 0.00 0.05 -0.99 6.02 -1.26 -4.11 117.38 120.88 2ch0 n GLN 117 Ca 0.76 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.75 2ch0 n GLN 117 Cb 0.25 -0.04 0.00 0.00 1.02 0.00 0.00 30.24 31.46 2ch0 n GLN 117 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ch0 n GLY 118 N 0.00 -0.87 0.00 1.08 0.00 -1.26 -5.17 105.19 98.97 2ch0 n GLY 118 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2ch0 n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ch0 n GLN 119 N -2.64 0.79 0.00 1.61 -0.00 -1.26 -5.14 117.38 110.74 2ch0 n GLN 119 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 2ch0 n GLN 119 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.24 2ch0 n GLN 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2ch0 n ALA 120 N -3.00 0.04 -2.66 2.61 0.00 -1.26 -4.71 120.51 111.52 2ch0 n ALA 120 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2ch0 n ALA 120 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2ch0 n ALA 120 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2ch0 s PHE 121 N 0.93 3.48 -0.28 0.00 0.08 -1.26 -5.03 117.98 115.89 2ch0 s PHE 121 Ca 0.00 0.57 0.21 0.00 0.12 0.00 0.00 56.93 57.83 2ch0 s PHE 121 Cb 0.00 -2.02 0.49 0.00 -0.57 0.00 0.00 43.02 40.92 2ch0 s PHE 121 CO 0.00 0.43 1.05 0.72 -0.10 0.00 0.00 175.22 177.32 2ch0 n HIS 122 N 0.11 1.22 0.00 0.36 8.25 -1.26 -4.88 115.22 119.02 2ch0 n HIS 122 Ca -0.02 -2.40 0.00 0.00 -0.26 0.00 0.00 57.72 55.04 2ch0 n HIS 122 Cb 0.52 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.34 2ch0 n HIS 122 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2ch0 n LEU 123 N -0.39 0.00 -2.63 2.41 4.77 -1.26 -4.77 117.00 115.12 2ch0 n LEU 123 Ca 0.08 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.73 2ch0 n LEU 123 Cb 0.81 -0.41 0.03 0.00 -2.33 0.00 0.00 43.42 41.52 2ch0 n LEU 123 CO 0.15 -0.45 0.89 0.47 -1.33 0.00 0.00 177.39 177.12 2ch0 n ASP 124 N -2.40 6.22 -3.81 -1.43 8.00 -1.26 -4.95 116.55 116.92 2ch0 n ASP 124 Ca 0.00 -3.78 -0.20 0.00 0.71 0.00 0.00 54.79 51.52 2ch0 n ASP 124 Cb 0.00 -0.76 -0.17 0.00 -0.02 0.00 0.00 41.12 40.17 2ch0 n ASP 124 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2ch0 s ARG 125 N -3.81 0.55 0.23 -1.24 3.52 -1.26 -5.14 118.95 111.80 2ch0 s ARG 125 Ca 0.51 0.05 -0.04 0.00 -0.13 0.00 0.00 55.73 56.12 2ch0 s ARG 125 Cb 0.43 -0.77 -0.03 0.00 -1.56 0.00 0.00 34.95 33.02 2ch0 s ARG 125 CO -0.26 -0.19 0.26 -0.98 -0.81 0.00 0.00 175.30 173.32 2ch0 s ARG 126 N 1.40 1.39 -0.95 5.12 1.70 -1.26 -4.92 118.95 121.42 2ch0 s ARG 126 Ca -0.04 -1.56 -0.03 0.00 -0.47 0.00 0.00 55.73 53.64 2ch0 s ARG 126 Cb -0.13 0.34 0.25 0.00 -0.57 0.00 0.00 34.95 34.84 2ch0 s ARG 126 CO -0.03 -0.51 2.12 -0.11 -1.08 0.00 0.00 175.30 175.70 2ch0 n LEU 127 N -0.35 7.42 -3.97 -1.89 7.94 -1.26 -4.83 117.00 120.07 2ch0 n LEU 127 Ca 0.01 -4.96 -0.09 0.00 -1.11 0.00 0.00 56.01 49.87 2ch0 n LEU 127 Cb 0.64 -1.19 -0.04 0.00 0.53 0.00 0.00 43.42 43.36 2ch0 n LEU 127 CO 0.30 1.93 0.26 -1.61 -1.11 0.00 0.00 177.39 177.15 2ch0 s GLU 128 N -3.30 1.67 0.12 1.96 2.02 -1.26 -5.19 118.70 114.72 2ch0 s GLU 128 Ca 0.48 -1.25 0.04 0.00 0.02 0.00 0.00 54.97 54.27 2ch0 s GLU 128 Cb 0.29 0.51 -0.04 0.00 0.10 0.00 0.00 34.13 34.98 2ch0 s GLU 128 CO -0.22 -0.71 0.07 1.03 0.02 0.00 0.00 175.26 175.45 2ch0 s ARG 129 N -3.83 2.77 -1.17 1.61 0.52 -1.26 -5.04 118.95 112.56 2ch0 s ARG 129 Ca 0.20 -0.81 -0.17 0.00 -0.52 0.00 0.00 55.73 54.43 2ch0 s ARG 129 Cb -0.02 -2.63 -0.05 0.00 0.52 0.00 0.00 34.95 32.78 2ch0 s ARG 129 CO 0.10 0.53 2.12 -0.35 0.02 0.00 0.00 175.30 177.71 2ch0 n PRO 130 N 0.18 2.30 -3.80 3.54 -0.04 -1.26 -4.79 135.00 131.14 2ch0 n PRO 130 Ca -0.09 -2.26 -0.05 0.00 -0.04 0.00 0.00 63.50 61.06 2ch0 n PRO 130 Cb 0.53 -3.11 -0.01 0.00 -0.04 0.00 0.00 33.50 30.87 2ch0 n PRO 130 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2ch0 s HIS 131 N 3.92 -0.10 -1.34 0.54 2.46 -1.26 -5.07 115.29 114.43 2ch0 s HIS 131 Ca 0.52 -0.29 -0.06 0.00 0.47 0.00 0.00 55.06 55.70 2ch0 s HIS 131 Cb 0.14 0.68 0.11 0.00 -0.13 0.00 0.00 32.58 33.39 2ch0 s HIS 131 CO -0.00 -1.02 2.41 -2.13 -2.47 0.00 0.00 174.74 171.53 2ch0 n ARG 132 N -0.50 4.55 0.00 2.88 0.63 -1.26 -5.17 116.66 117.78 2ch0 n ARG 132 Ca -0.05 -3.40 0.00 0.00 -0.92 0.00 0.00 57.85 53.48 2ch0 n ARG 132 Cb 0.60 -2.64 0.00 0.00 0.45 0.00 0.00 32.46 30.87 2ch0 n ARG 132 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65