#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ch0 n SER 2 N 0.00 -2.24 -4.84 1.61 3.41 -1.26 -5.11 113.62 105.20 2ch0 n SER 2 Ca 0.00 -0.02 -0.25 0.00 -0.26 0.00 0.00 58.87 58.34 2ch0 n SER 2 Cb 0.00 -0.95 0.08 0.00 -0.26 0.00 0.00 64.21 63.08 2ch0 n SER 2 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2ch0 s PRO 3 N -3.03 2.04 7.42 4.33 0.05 -1.26 -4.62 135.00 139.92 2ch0 s PRO 3 Ca 0.01 -0.43 0.00 0.00 0.05 0.00 0.00 61.00 60.63 2ch0 s PRO 3 Cb -0.00 -2.20 0.00 0.00 0.05 0.00 0.00 34.50 32.35 2ch0 s PRO 3 CO 0.03 -1.30 0.00 0.39 0.05 0.00 0.00 177.00 176.17 2ch0 n GLU 4 N -2.91 0.00 -0.23 4.56 1.02 -1.26 -2.63 120.64 119.18 2ch0 n GLU 4 Ca 0.09 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.32 2ch0 n GLU 4 Cb 0.60 0.00 0.16 0.00 -0.02 0.00 0.00 31.44 32.19 2ch0 n GLU 4 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2ch0 n PHE 5 N 9.70 0.02 -0.44 -0.32 3.72 -1.26 -4.67 117.46 124.20 2ch0 n PHE 5 Ca 0.00 -1.15 0.01 0.00 -0.05 0.00 0.00 57.45 56.26 2ch0 n PHE 5 Cb 0.00 -0.18 0.27 0.00 -0.94 0.00 0.00 39.48 38.63 2ch0 n PHE 5 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2ch0 n ARG 6 N -1.33 3.53 -3.91 -1.08 3.00 -1.08 -4.81 116.66 110.98 2ch0 n ARG 6 Ca 0.17 -2.31 -0.28 0.00 -0.01 0.00 0.00 57.85 55.42 2ch0 n ARG 6 Cb 0.66 -2.03 -0.03 0.00 0.00 0.00 0.00 32.46 31.05 2ch0 n ARG 6 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.63 179.30 2ch0 s TRP 7 N -2.33 3.50 0.18 -1.55 -2.14 -1.26 -4.85 118.94 110.49 2ch0 s TRP 7 Ca 0.41 0.19 0.34 0.00 2.66 0.00 0.00 56.10 59.69 2ch0 s TRP 7 Cb 0.32 -1.72 1.44 0.00 -3.10 0.00 0.00 33.47 30.40 2ch0 s TRP 7 CO 0.11 0.53 2.01 1.15 -2.66 0.00 0.00 176.95 178.09 2ch0 h THR 8 N 1.79 0.08 -0.54 0.66 2.02 -1.98 -3.13 112.91 111.81 2ch0 h THR 8 Ca -0.47 -0.52 0.16 0.00 0.77 0.00 0.00 66.41 66.34 2ch0 h THR 8 Cb 1.18 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 69.05 2ch0 h THR 8 CO 0.71 0.03 0.47 0.11 0.37 0.00 0.00 175.52 177.21 2ch0 h LYS 9 N 0.00 0.00 0.00 6.66 1.57 -1.96 -1.50 116.57 121.34 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 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2ch0 h LYS 9 CO 0.00 0.00 0.20 -1.91 -0.57 0.00 0.00 179.45 177.17 2ch0 n GLU 10 N -3.98 0.10 0.22 3.15 2.13 -1.18 -1.65 120.64 119.42 2ch0 n GLU 10 Ca 0.10 0.57 0.12 0.00 0.66 0.00 0.00 57.16 58.61 2ch0 n GLU 10 Cb 0.69 -2.02 0.71 0.00 0.27 0.00 0.00 31.44 31.09 2ch0 n GLU 10 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2ch0 h GLU 11 N 0.00 0.00 -0.31 5.31 4.39 -1.55 0.16 114.58 122.57 2ch0 h GLU 11 Ca 0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 2ch0 h GLU 11 Cb 0.40 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2ch0 h GLU 11 CO 0.00 0.00 -0.07 1.49 -1.16 0.00 0.00 179.01 179.27 2ch0 h GLU 12 N 0.00 0.59 -0.15 2.33 4.81 -1.58 0.16 114.58 120.73 2ch0 h GLU 12 Ca 0.05 -0.22 -0.06 0.00 -0.13 0.00 0.00 59.36 59.00 2ch0 h GLU 12 Cb 0.22 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 2ch0 h GLU 12 CO -0.00 0.77 -0.14 0.93 -0.73 0.00 0.00 179.01 179.84 2ch0 h GLU 13 N 0.36 0.36 0.00 1.92 5.08 -1.68 -3.40 114.58 117.23 2ch0 h GLU 13 Ca 0.08 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2ch0 h GLU 13 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2ch0 h GLU 13 CO 0.03 0.73 -0.00 1.79 -1.00 0.00 0.00 179.01 180.56 2ch0 h THR 14 N -0.01 1.61 -0.59 1.13 1.35 -0.78 -3.48 112.91 112.15 2ch0 h THR 14 Ca 0.03 -2.10 0.07 0.00 -0.55 0.00 0.00 66.41 63.85 2ch0 h THR 14 Cb 0.66 3.00 -0.02 0.00 -1.73 0.00 0.00 68.15 70.05 2ch0 h THR 14 CO 0.03 0.53 -0.14 0.54 -0.25 0.00 0.00 175.52 176.23 2ch0 n ARG 15 N -4.66 -0.54 -0.00 4.72 5.12 0.04 -4.67 116.66 116.66 2ch0 n ARG 15 Ca -0.09 0.39 0.00 0.00 -1.93 0.00 0.00 57.85 56.22 2ch0 n ARG 15 Cb 0.42 -0.65 0.00 0.00 -1.16 0.00 0.00 32.46 31.06 2ch0 n ARG 15 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2ch0 n GLN 16 N -2.41 0.19 0.07 5.56 3.00 -1.26 -4.32 117.38 118.21 2ch0 n GLN 16 Ca -0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.93 2ch0 n GLN 16 Cb 0.12 -1.40 0.13 0.00 0.00 0.00 0.00 30.24 29.08 2ch0 n GLN 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2ch0 h MET 17 N 1.70 0.30 0.00 -1.09 -0.00 -1.98 -3.42 114.93 110.44 2ch0 h MET 17 Ca 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 59.70 59.51 2ch0 h MET 17 Cb 0.19 0.02 0.00 0.00 -0.00 0.00 0.00 31.60 31.81 2ch0 h MET 17 CO 0.00 0.77 0.40 1.88 -0.00 0.00 0.00 176.91 179.96 2ch0 h TYR 18 N 0.23 0.00 0.08 -0.10 0.05 -1.96 -1.73 116.97 113.55 2ch0 h TYR 18 Ca 0.00 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.56 2ch0 h TYR 18 Cb 1.04 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.77 2ch0 h TYR 18 CO 0.02 0.00 -1.12 -0.44 -1.05 0.00 0.00 178.16 175.58 2ch0 h ASP 19 N 0.00 0.28 0.02 3.88 3.32 -1.97 -3.38 116.42 118.56 2ch0 h ASP 19 Ca 0.00 -0.83 -0.01 0.00 0.02 0.00 0.00 57.03 56.21 2ch0 h ASP 19 Cb 0.79 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.25 2ch0 h ASP 19 CO 0.00 1.49 -0.02 0.00 -1.72 0.00 0.00 179.24 178.98 2ch0 h MET 20 N -0.52 0.01 -0.01 3.56 -0.00 -1.64 -2.68 114.93 113.64 2ch0 h MET 20 Ca -0.25 -0.00 -0.16 0.00 -0.00 0.00 0.00 59.70 59.29 2ch0 h MET 20 Cb 1.57 -0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 33.15 2ch0 h MET 20 CO 0.02 0.03 -0.75 -0.39 -0.00 0.00 0.00 176.91 175.83 2ch0 h VAL 21 N 0.01 1.49 -0.93 -0.10 -1.51 -1.73 -3.35 116.25 110.12 2ch0 h VAL 21 Ca 0.00 -2.42 0.18 0.00 -1.23 0.00 0.00 66.70 63.22 2ch0 h VAL 21 Cb 0.05 2.31 -0.08 0.00 -2.13 0.00 0.00 31.29 31.44 2ch0 h VAL 21 CO 0.00 0.70 0.60 0.58 -1.23 0.00 0.00 177.57 178.22 2ch0 h VAL 22 N 0.07 0.75 0.00 7.19 2.07 -1.65 0.33 116.25 125.01 2ch0 h VAL 22 Ca -0.02 -0.21 -0.15 0.00 0.82 0.00 0.00 66.70 67.15 2ch0 h VAL 22 Cb 1.31 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 2ch0 h VAL 22 CO 0.11 0.11 -0.70 0.07 0.02 0.00 0.00 177.57 177.17 2ch0 h LYS 23 N 0.61 0.00 0.04 1.57 -0.00 -1.74 -3.35 116.57 113.69 2ch0 h LYS 23 Ca 0.49 0.00 -0.27 0.00 -0.00 0.00 0.00 60.65 60.87 2ch0 h LYS 23 Cb 0.93 0.00 0.02 0.00 -0.00 0.00 0.00 32.23 33.19 2ch0 h LYS 23 CO -0.24 0.70 -1.09 0.82 -0.00 0.00 0.00 179.45 179.65 2ch0 h ILE 24 N 0.00 1.28 -0.70 0.07 2.04 -1.28 -3.35 117.51 115.57 2ch0 h ILE 24 Ca -0.01 -2.30 0.20 0.00 1.00 0.00 0.00 64.86 63.75 2ch0 h ILE 24 Cb 1.27 2.49 -0.03 0.00 -0.74 0.00 0.00 36.82 39.81 2ch0 h ILE 24 CO 0.09 0.71 0.50 0.16 0.00 0.00 0.00 178.15 179.61 2ch0 h ILE 25 N 0.34 0.66 0.00 -0.67 3.07 -0.54 0.23 117.51 120.59 2ch0 h ILE 25 Ca -0.15 -0.01 -0.01 0.00 1.55 0.00 0.00 64.86 66.24 2ch0 h ILE 25 Cb 1.75 0.64 -0.00 0.00 -0.27 0.00 0.00 36.82 38.94 2ch0 h ILE 25 CO 0.21 0.00 -0.05 0.44 -1.05 0.00 0.00 178.15 177.70 2ch0 h ASP 26 N 0.02 0.00 0.15 2.16 3.32 -1.75 -2.93 116.42 117.39 2ch0 h ASP 26 Ca 0.33 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 2ch0 h ASP 26 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 2ch0 h ASP 26 CO -0.01 0.05 -0.07 -0.37 -1.72 0.00 0.00 179.24 177.12 2ch0 h VAL 27 N 0.00 0.94 0.15 -1.35 -1.51 -0.74 -3.20 116.25 110.53 2ch0 h VAL 27 Ca -0.00 -1.09 -0.01 0.00 -1.23 0.00 0.00 66.70 64.38 2ch0 h VAL 27 Cb 0.24 1.54 0.00 0.00 -2.13 0.00 0.00 31.29 30.94 2ch0 h VAL 27 CO 0.01 0.23 -0.07 -0.07 -1.23 0.00 0.00 177.57 176.44 2ch0 h LEU 28 N -0.79 -0.17 -2.00 4.19 4.07 -1.65 -3.28 115.31 115.69 2ch0 h LEU 28 Ca -0.02 -0.19 0.14 0.00 0.08 0.00 0.00 57.88 57.90 2ch0 h LEU 28 Cb 0.53 0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.29 2ch0 h LEU 28 CO 0.03 0.10 0.45 -0.09 -1.08 0.00 0.00 178.44 177.85 2ch0 h ARG 29 N -0.43 0.00 0.01 1.13 2.43 -1.69 -3.19 114.38 112.64 2ch0 h ARG 29 Ca -0.02 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2ch0 h ARG 29 Cb 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2ch0 h ARG 29 CO 0.03 0.00 -0.01 0.77 -1.51 0.00 0.00 179.97 179.26 2ch0 h SER 30 N 0.00 -0.01 -0.39 -3.80 0.02 -1.61 -3.30 113.55 104.46 2ch0 h SER 30 Ca 0.24 -0.77 0.10 0.00 -0.84 0.00 0.00 61.79 60.51 2ch0 h SER 30 Cb 1.13 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.65 2ch0 h SER 30 CO -0.00 0.78 0.27 0.45 -1.14 0.00 0.00 176.83 177.20 2ch0 h HIS 31 N -0.83 0.09 -0.01 3.45 3.86 -1.66 -3.03 115.15 117.02 2ch0 h HIS 31 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2ch0 h HIS 31 Cb 0.78 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 29.22 2ch0 h HIS 31 CO 0.20 0.04 0.01 -0.91 0.86 0.00 0.00 177.93 178.13 2ch0 h ASN 32 N 0.08 0.00 -0.24 2.45 -0.26 -1.63 -0.46 115.58 115.52 2ch0 h ASN 32 Ca 0.18 0.00 -0.19 0.00 -0.56 0.00 0.00 56.30 55.74 2ch0 h ASN 32 Cb 0.62 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.88 2ch0 h ASN 32 CO -0.02 0.00 -0.57 -0.33 -1.06 0.00 0.00 177.43 175.45 2ch0 h GLU 33 N 0.00 0.81 0.00 0.81 5.08 -1.65 -3.18 114.58 116.46 2ch0 h GLU 33 Ca 0.01 -0.55 -0.08 0.00 -1.00 0.00 0.00 59.36 57.73 2ch0 h GLU 33 Cb 0.02 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2ch0 h GLU 33 CO -0.00 1.18 -0.40 0.00 -1.00 0.00 0.00 179.01 178.79 2ch0 h ALA 34 N 0.63 0.93 -0.08 3.43 0.00 -1.70 -3.36 119.26 119.11 2ch0 h ALA 34 Ca -0.00 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 2ch0 h ALA 34 Cb 1.19 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2ch0 h ALA 34 CO 0.12 0.50 -0.30 0.00 0.00 0.00 0.00 179.25 179.57 2ch0 n GLN 36 N -4.13 0.00 -0.02 0.00 -0.00 -1.24 -3.30 117.38 108.69 2ch0 n GLN 36 Ca -0.01 0.37 -0.04 0.00 -0.00 0.00 0.00 57.00 57.32 2ch0 n GLN 36 Cb 0.38 -1.51 -0.01 0.00 -0.00 0.00 0.00 30.24 29.10 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 -1.51 0.08 -4.81 2.61 4.07 -1.12 -4.97 120.64 114.99 2ch0 n GLU 37 Ca 0.02 0.03 -0.26 0.00 -0.06 0.00 0.00 57.16 56.89 2ch0 n GLU 37 Cb 0.09 -0.75 -0.16 0.00 -0.06 0.00 0.00 31.44 30.56 2ch0 n GLU 37 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 2ch0 s ASN 38 N -5.06 2.14 0.21 4.31 2.47 -0.54 -4.83 114.94 113.64 2ch0 s ASN 38 Ca -0.05 -0.36 -0.10 0.00 0.42 0.00 0.00 52.86 52.78 2ch0 s ASN 38 Cb 0.02 -0.71 0.29 0.00 -1.45 0.00 0.00 41.25 39.39 2ch0 s ASN 38 CO 0.07 0.13 1.72 0.50 -3.72 0.00 0.00 177.10 175.80 2ch0 h LYS 39 N 6.45 0.31 -2.00 0.43 3.11 -1.75 -3.35 116.57 119.78 2ch0 h LYS 39 Ca -0.31 -0.02 -0.44 0.00 -2.81 0.00 0.00 60.65 57.08 2ch0 h LYS 39 Cb 1.18 -0.07 -0.32 0.00 -1.00 0.00 0.00 32.23 32.02 2ch0 h LYS 39 CO 0.48 0.21 -0.78 0.16 -2.81 0.00 0.00 179.45 176.70 2ch0 s ASP 40 N -5.33 0.97 0.46 4.20 -4.77 -1.25 -0.18 116.67 110.75 2ch0 s ASP 40 Ca -0.13 -2.25 0.16 0.00 -3.30 0.00 0.00 52.55 47.03 2ch0 s ASP 40 Cb 0.17 0.32 1.06 0.00 -1.09 0.00 0.00 42.92 43.39 2ch0 s ASP 40 CO 0.74 -0.19 2.00 0.17 0.70 0.00 0.00 175.17 178.59 2ch0 h LEU 41 N 6.14 0.00 -4.00 2.11 -0.00 -1.81 -3.06 115.31 114.68 2ch0 h LEU 41 Ca 0.14 0.00 -0.68 0.00 -0.00 0.00 0.00 57.88 57.34 2ch0 h LEU 41 Cb 1.00 0.00 -0.29 0.00 -0.00 0.00 0.00 40.66 41.37 2ch0 h LEU 41 CO 0.24 0.18 0.88 1.67 -0.00 0.00 0.00 178.44 181.40 2ch0 n GLN 42 N -4.22 2.68 0.17 0.17 -0.06 -1.26 -4.96 117.38 109.90 2ch0 n GLN 42 Ca -0.02 -3.28 0.10 0.00 -2.00 0.00 0.00 57.00 51.80 2ch0 n GLN 42 Cb 0.25 -2.28 0.21 0.00 -4.06 0.00 0.00 30.24 24.35 2ch0 n GLN 42 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 2ch0 h PRO 43 N 2.00 0.00 -2.63 3.69 0.13 -1.79 -2.49 132.00 130.90 2ch0 h PRO 43 Ca 0.61 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.73 2ch0 h PRO 43 Cb 0.81 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.80 2ch0 h PRO 43 CO 1.59 0.00 0.26 0.71 -0.23 0.00 0.00 178.00 180.34 2ch0 s TYR 44 N -4.15 -0.53 -0.15 1.56 2.02 -1.26 -4.69 117.35 110.16 2ch0 s TYR 44 Ca -0.01 0.49 -0.26 0.00 -0.37 0.00 0.00 57.07 56.91 2ch0 s TYR 44 Cb 0.05 0.52 0.06 0.00 -0.40 0.00 0.00 41.96 42.20 2ch0 s TYR 44 CO 0.17 -0.73 0.65 -1.64 -1.57 0.00 0.00 175.55 172.43 2ch0 s MET 45 N -3.03 0.90 0.74 -0.62 -1.94 0.09 -4.89 119.30 110.55 2ch0 s MET 45 Ca -0.01 0.56 -0.11 0.00 -1.71 0.00 0.00 55.69 54.42 2ch0 s MET 45 Cb -0.01 0.43 0.04 0.00 2.01 0.00 0.00 34.83 37.30 2ch0 s MET 45 CO -0.07 -0.21 1.08 -1.25 -0.01 0.00 0.00 175.02 174.56 2ch0 s PRO 46 N -0.45 2.55 0.12 2.03 0.04 -1.26 -1.22 135.00 136.81 2ch0 s PRO 46 Ca -0.06 0.96 -0.23 0.00 0.04 0.00 0.00 61.00 61.71 2ch0 s PRO 46 Cb -0.03 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 2ch0 s PRO 46 CO 0.05 -1.38 1.68 0.82 0.04 0.00 0.00 177.00 178.22 2ch0 h ILE 47 N -0.92 0.67 0.00 0.56 2.04 -1.93 0.11 117.51 118.03 2ch0 h ILE 47 Ca -0.44 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.42 2ch0 h ILE 47 Cb 1.23 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 2ch0 h ILE 47 CO 0.56 0.00 0.38 1.55 0.00 0.00 0.00 178.15 180.63 2ch0 h PRO 48 N -0.20 0.00 -0.38 2.37 0.14 -1.95 -3.33 132.00 128.65 2ch0 h PRO 48 Ca 0.06 0.00 0.06 0.00 0.14 0.00 0.00 66.00 66.26 2ch0 h PRO 48 Cb 0.27 0.00 -0.05 0.00 0.14 0.00 0.00 31.00 31.36 2ch0 h PRO 48 CO -0.16 0.00 0.05 1.25 0.14 0.00 0.00 178.00 179.29 2ch0 h HIS 49 N 0.00 0.08 -0.07 1.56 -0.00 -1.33 0.13 115.15 115.52 2ch0 h HIS 49 Ca 0.00 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.30 2ch0 h HIS 49 Cb 0.75 0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 28.17 2ch0 h HIS 49 CO 0.00 -0.01 -0.37 -0.39 -0.00 0.00 0.00 177.93 177.16 2ch0 h VAL 50 N 0.17 1.29 -0.82 5.26 -1.51 -1.74 -1.75 116.25 117.14 2ch0 h VAL 50 Ca 0.18 -1.37 -0.03 0.00 -1.23 0.00 0.00 66.70 64.25 2ch0 h VAL 50 Cb 0.23 1.65 -0.04 0.00 -2.13 0.00 0.00 31.29 31.00 2ch0 h VAL 50 CO -0.26 0.40 0.38 0.08 -1.23 0.00 0.00 177.57 176.94 2ch0 h ARG 51 N 0.12 1.19 0.00 5.19 -0.00 -1.53 -3.33 114.38 116.02 2ch0 h ARG 51 Ca 0.01 -0.18 0.00 0.00 -0.00 0.00 0.00 59.98 59.81 2ch0 h ARG 51 Cb 0.72 -0.21 0.00 0.00 -0.00 0.00 0.00 29.97 30.48 2ch0 h ARG 51 CO 0.05 0.93 0.19 -3.47 -0.00 0.00 0.00 179.97 177.67 2ch0 n ASP 52 N -4.30 0.22 0.08 0.08 2.03 0.39 -0.41 116.55 114.65 2ch0 n ASP 52 Ca 0.08 0.49 0.12 0.00 0.52 0.00 0.00 54.79 56.00 2ch0 n ASP 52 Cb 0.15 -0.48 0.05 0.00 -0.72 0.00 0.00 41.12 40.13 2ch0 n ASP 52 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2ch0 h SER 53 N 0.00 0.00 -0.42 1.67 0.02 -1.69 -3.43 113.55 109.70 2ch0 h SER 53 Ca 0.00 -0.10 -0.13 0.00 -0.84 0.00 0.00 61.79 60.71 2ch0 h SER 53 Cb 0.38 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 2ch0 h SER 53 CO 0.00 0.05 -0.26 -0.07 -1.14 0.00 0.00 176.83 175.41 2ch0 h LEU 54 N 0.00 0.95 -7.29 5.07 -0.00 -0.92 -3.46 115.31 109.66 2ch0 h LEU 54 Ca 0.00 -0.42 -0.07 0.00 -0.00 0.00 0.00 57.88 57.38 2ch0 h LEU 54 Cb 0.90 -0.26 -0.17 0.00 -0.00 0.00 0.00 40.66 41.12 2ch0 h LEU 54 CO 0.00 1.17 -0.04 -0.63 -0.00 0.00 0.00 178.44 178.94 2ch0 s ILE 55 N -4.56 0.04 -0.21 1.22 1.01 -1.26 -4.99 121.20 112.45 2ch0 s ILE 55 Ca -0.12 -0.34 -0.20 0.00 0.00 0.00 0.00 60.65 60.00 2ch0 s ILE 55 Cb 0.11 -0.94 -0.19 0.00 0.01 0.00 0.00 42.46 41.45 2ch0 s ILE 55 CO 0.86 -0.19 0.16 0.00 0.00 0.00 0.00 174.94 175.78 2ch0 n GLN 56 N 0.55 0.58 0.00 2.79 1.13 -1.26 -4.54 117.38 116.62 2ch0 n GLN 56 Ca -0.19 0.52 0.00 0.00 -1.94 0.00 0.00 57.00 55.40 2ch0 n GLN 56 Cb 0.59 -1.72 0.00 0.00 0.11 0.00 0.00 30.24 29.23 2ch0 n GLN 56 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2ch0 n PRO 57 N -4.35 2.69 0.24 -1.09 -0.04 -1.26 -4.75 135.00 126.45 2ch0 n PRO 57 Ca -0.35 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.21 2ch0 n PRO 57 Cb 0.73 0.00 0.59 0.00 -0.04 0.00 0.00 33.50 34.77 2ch0 n PRO 57 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 2ch0 h HIS 58 N 0.00 0.00 -0.18 0.54 2.07 -2.06 -2.81 115.15 112.71 2ch0 h HIS 58 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2ch0 h HIS 58 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 2ch0 h HIS 58 CO 0.00 0.20 0.00 -0.25 -3.07 0.00 0.00 177.93 174.81 2ch0 n ASP 59 N -3.80 1.25 -0.30 3.10 8.00 -1.26 -4.62 116.55 118.92 2ch0 n ASP 59 Ca -0.02 -1.80 0.13 0.00 0.71 0.00 0.00 54.79 53.82 2ch0 n ASP 59 Cb 0.30 -0.12 0.31 0.00 -0.02 0.00 0.00 41.12 41.59 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 1.51 0.30 0.00 -1.24 -0.00 -1.73 0.16 114.38 113.37 2ch0 h ARG 60 Ca 0.00 -0.02 -0.06 0.00 -0.00 0.00 0.00 59.98 59.90 2ch0 h ARG 60 Cb 0.34 -0.07 -0.01 0.00 -0.00 0.00 0.00 29.97 30.23 2ch0 h ARG 60 CO 0.00 0.20 -0.28 -0.22 -0.00 0.00 0.00 179.97 179.67 2ch0 h LYS 61 N 0.31 0.00 -0.42 0.08 3.11 -1.87 -3.38 116.57 114.40 2ch0 h LYS 61 Ca 0.56 0.00 0.12 0.00 -2.81 0.00 0.00 60.65 58.52 2ch0 h LYS 61 Cb 1.11 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.32 2ch0 h LYS 61 CO -0.58 0.28 0.33 -0.22 -2.81 0.00 0.00 179.45 176.45 2ch0 h LYS 62 N 0.00 0.00 -0.19 1.90 3.11 -1.29 0.46 116.57 120.55 2ch0 h LYS 62 Ca -0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2ch0 h LYS 62 Cb 0.72 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.95 2ch0 h LYS 62 CO 0.04 0.00 0.00 -1.33 -2.81 0.00 0.00 179.45 175.35 2ch0 n MET 63 N -4.19 2.22 -0.21 1.90 2.81 -1.26 -4.40 117.12 113.99 2ch0 n MET 63 Ca 0.07 -2.00 -0.07 0.00 -1.81 0.00 0.00 57.70 53.89 2ch0 n MET 63 Cb 0.53 -1.45 0.03 0.00 -0.71 0.00 0.00 33.22 31.62 2ch0 n MET 63 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 2ch0 h LYS 64 N 4.22 0.87 -1.00 0.03 2.10 -0.29 -0.81 116.57 121.69 2ch0 h LYS 64 Ca 0.00 -0.15 0.21 0.00 -2.00 0.00 0.00 60.65 58.71 2ch0 h LYS 64 Cb 0.92 -0.15 -0.10 0.00 -0.90 0.00 0.00 32.23 32.01 2ch0 h LYS 64 CO 0.00 0.73 0.62 -0.22 -2.00 0.00 0.00 179.45 178.58 2ch0 h LYS 65 N 0.81 0.62 0.03 0.07 3.64 -1.74 -0.31 116.57 119.69 2ch0 h LYS 65 Ca 0.20 -0.04 -0.25 0.00 -1.27 0.00 0.00 60.65 59.29 2ch0 h LYS 65 Cb 0.18 -0.14 0.02 0.00 -0.41 0.00 0.00 32.23 31.88 2ch0 h LYS 65 CO -0.02 0.41 -0.98 0.28 -2.27 0.00 0.00 179.45 176.87 2ch0 h VAL 66 N 0.64 1.32 -0.77 2.00 2.07 -1.71 -3.34 116.25 116.46 2ch0 h VAL 66 Ca 0.57 -2.26 0.12 0.00 0.82 0.00 0.00 66.70 65.95 2ch0 h VAL 66 Cb 1.06 2.52 -0.05 0.00 -1.52 0.00 0.00 31.29 33.30 2ch0 h VAL 66 CO -0.35 0.69 0.51 -0.25 0.02 0.00 0.00 177.57 178.19 2ch0 h TRP 67 N 0.23 0.67 -0.87 1.57 2.91 0.28 0.13 115.95 120.88 2ch0 h TRP 67 Ca -0.13 0.02 0.13 0.00 1.13 0.00 0.00 58.89 60.03 2ch0 h TRP 67 Cb 1.66 -0.21 -0.07 0.00 -0.51 0.00 0.00 29.16 30.03 2ch0 h TRP 67 CO 0.12 0.29 0.56 -0.44 -1.03 0.00 0.00 178.44 177.94 2ch0 h ASP 68 N 0.60 0.67 0.05 2.65 3.32 -1.24 0.27 116.42 122.75 2ch0 h ASP 68 Ca 0.37 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.45 2ch0 h ASP 68 Cb 0.61 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.05 2ch0 h ASP 68 CO -0.14 0.36 -0.03 -0.09 -1.72 0.00 0.00 179.24 177.63 2ch0 h ARG 69 N 0.73 -0.07 -0.59 3.56 1.12 -1.46 -3.38 114.38 114.28 2ch0 h ARG 69 Ca 0.42 0.00 0.13 0.00 -1.11 0.00 0.00 59.98 59.43 2ch0 h ARG 69 Cb 0.61 0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 30.56 2ch0 h ARG 69 CO -0.19 0.49 0.41 0.00 -3.11 0.00 0.00 179.97 177.58 2ch0 h ALA 70 N -0.30 2.26 -0.97 2.80 0.00 -0.39 -0.46 119.26 122.20 2ch0 h ALA 70 Ca -0.01 -0.01 0.20 0.00 0.00 0.00 0.00 54.91 55.10 2ch0 h ALA 70 Cb 0.59 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 2ch0 h ALA 70 CO 0.01 -0.42 0.62 0.28 0.00 0.00 0.00 179.25 179.74 2ch0 h VAL 71 N 0.21 0.68 -0.06 0.00 2.07 -0.66 -0.65 116.25 117.85 2ch0 h VAL 71 Ca 0.28 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 2ch0 h VAL 71 Cb 0.83 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2ch0 h VAL 71 CO -0.05 0.11 0.02 -0.78 0.02 0.00 0.00 177.57 176.89 2ch0 h ASP 72 N 0.59 0.08 0.43 0.57 3.58 -1.25 0.75 116.42 121.16 2ch0 h ASP 72 Ca 0.54 -0.15 -0.02 0.00 0.42 0.00 0.00 57.03 57.82 2ch0 h ASP 72 Cb 1.07 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.10 2ch0 h ASP 72 CO -0.29 0.20 -0.21 0.15 -2.88 0.00 0.00 179.24 176.21 2ch0 h PHE 73 N -0.05 -0.53 -0.72 0.28 3.57 -1.65 -2.89 116.94 114.93 2ch0 h PHE 73 Ca 0.02 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 2ch0 h PHE 73 Cb 0.15 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 2ch0 h PHE 73 CO -0.02 -0.22 0.34 1.25 -2.23 0.00 0.00 178.31 177.43 2ch0 h LEU 74 N -1.00 0.95 -0.39 0.59 5.85 -1.17 -0.72 115.31 119.42 2ch0 h LEU 74 Ca -0.06 -0.14 -0.18 0.00 0.84 0.00 0.00 57.88 58.35 2ch0 h LEU 74 Cb 0.56 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 2ch0 h LEU 74 CO 0.10 0.83 -0.57 0.00 -0.34 0.00 0.00 178.44 178.45 2ch0 h ALA 75 N 1.17 0.57 -0.01 1.25 0.00 -1.02 -3.07 119.26 118.14 2ch0 h ALA 75 Ca 0.25 -0.52 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 2ch0 h ALA 75 Cb 0.13 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2ch0 h ALA 75 CO -0.03 0.69 -0.70 0.00 0.00 0.00 0.00 179.25 179.21 2ch0 h ALA 76 N 0.82 0.82 -1.63 0.00 0.00 -1.48 -3.26 119.26 114.53 2ch0 h ALA 76 Ca 0.01 -0.63 -0.70 0.00 0.00 0.00 0.00 54.91 53.59 2ch0 h ALA 76 Cb 1.15 -0.10 -0.34 0.00 0.00 0.00 0.00 17.79 18.49 2ch0 h ALA 76 CO 0.12 0.85 0.22 0.09 0.00 0.00 0.00 179.25 180.53 2ch0 n ASN 77 N -3.74 6.03 0.00 0.00 4.13 -0.28 -4.87 115.26 116.54 2ch0 n ASN 77 Ca -0.01 -3.71 0.00 0.00 1.68 0.00 0.00 54.58 52.53 2ch0 n ASN 77 Cb 0.68 -0.85 0.00 0.00 -1.54 0.00 0.00 39.78 38.07 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 -0.24 0.00 -3.62 3.52 2.13 -1.16 -4.82 120.64 116.45 2ch0 n GLU 78 Ca 0.41 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.97 2ch0 n GLU 78 Cb 0.35 0.00 -0.17 0.00 0.27 0.00 0.00 31.44 31.89 2ch0 n GLU 78 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2ch0 s SER 79 N 0.00 2.35 0.00 4.31 1.04 -1.23 -4.36 113.70 115.81 2ch0 s SER 79 Ca 0.00 -0.61 0.14 0.00 0.48 0.00 0.00 55.95 55.96 2ch0 s SER 79 Cb 0.00 -0.26 0.07 0.00 0.10 0.00 0.00 66.02 65.93 2ch0 s SER 79 CO 0.00 -0.34 0.89 0.54 0.98 0.00 0.00 173.24 175.30 2ch0 n ARG 80 N 5.27 1.30 -3.60 4.02 3.00 -1.26 -4.93 116.66 120.45 2ch0 n ARG 80 Ca -0.07 -1.13 -0.37 0.00 -0.01 0.00 0.00 57.85 56.27 2ch0 n ARG 80 Cb 0.49 -1.25 -0.07 0.00 0.00 0.00 0.00 32.46 31.64 2ch0 n ARG 80 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2ch0 s VAL 81 N -1.37 5.29 0.16 1.55 1.01 -1.26 -3.92 120.40 121.87 2ch0 s VAL 81 Ca 0.15 0.53 0.03 0.00 0.00 0.00 0.00 61.98 62.69 2ch0 s VAL 81 Cb 0.12 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.86 2ch0 s VAL 81 CO 0.24 0.47 0.25 0.00 0.00 0.00 0.00 175.10 176.06 2ch0 s ARG 82 N -0.11 3.30 -0.18 2.72 1.70 -0.89 -4.85 118.95 120.64 2ch0 s ARG 82 Ca 0.17 -0.69 -0.03 0.00 -0.47 0.00 0.00 55.73 54.72 2ch0 s ARG 82 Cb -0.13 -2.87 -0.01 0.00 -0.57 0.00 0.00 34.95 31.36 2ch0 s ARG 82 CO 0.05 0.50 -0.07 -0.08 -1.08 0.00 0.00 175.30 174.63 2ch0 s THR 83 N -1.78 3.33 0.11 4.99 -1.32 -1.26 -1.43 115.64 118.28 2ch0 s THR 83 Ca 0.34 -0.53 -0.06 0.00 -1.21 0.00 0.00 61.69 60.23 2ch0 s THR 83 Cb -0.11 -2.47 -0.02 0.00 -1.51 0.00 0.00 72.50 68.39 2ch0 s THR 83 CO 0.27 0.46 0.15 -1.83 -2.21 0.00 0.00 174.62 171.47 2ch0 s GLU 84 N 1.00 0.90 -0.45 7.08 -1.05 -1.01 -4.94 118.70 120.22 2ch0 s GLU 84 Ca -0.00 -1.16 -0.28 0.00 -0.15 0.00 0.00 54.97 53.38 2ch0 s GLU 84 Cb -0.15 0.31 0.03 0.00 -0.44 0.00 0.00 34.13 33.88 2ch0 s GLU 84 CO -0.00 -0.28 1.08 0.95 0.95 0.00 0.00 175.26 177.96 2ch0 s THR 85 N -3.94 4.31 -0.07 1.83 -4.23 -1.25 -1.68 115.64 110.61 2ch0 s THR 85 Ca 0.12 1.18 0.03 0.00 -1.18 0.00 0.00 61.69 61.84 2ch0 s THR 85 Cb 0.06 -4.54 0.01 0.00 1.34 0.00 0.00 72.50 69.36 2ch0 s THR 85 CO -0.05 -0.90 -0.15 -0.60 -0.54 0.00 0.00 174.62 172.38 2ch0 s ARG 86 N 4.19 1.89 -0.43 3.99 6.06 -1.00 -4.93 118.95 128.73 2ch0 s ARG 86 Ca 0.45 -0.51 -0.22 0.00 -2.50 0.00 0.00 55.73 52.95 2ch0 s ARG 86 Cb -0.08 -1.54 0.02 0.00 0.06 0.00 0.00 34.95 33.40 2ch0 s ARG 86 CO 0.28 0.08 0.73 0.50 -2.50 0.00 0.00 175.30 174.40 2ch0 s ARG 87 N 0.51 3.45 -0.12 5.12 3.52 -1.26 -2.25 118.95 127.92 2ch0 s ARG 87 Ca -0.13 -0.10 -0.02 0.00 -0.13 0.00 0.00 55.73 55.34 2ch0 s ARG 87 Cb -0.15 -3.91 0.04 0.00 -1.56 0.00 0.00 34.95 29.37 2ch0 s ARG 87 CO 0.04 -1.01 0.02 0.96 -0.81 0.00 0.00 175.30 174.50 2ch0 s ILE 88 N 3.09 0.38 -0.60 4.11 -4.36 0.55 -4.74 121.20 119.64 2ch0 s ILE 88 Ca 0.28 -0.13 0.00 0.00 -0.26 0.00 0.00 60.65 60.54 2ch0 s ILE 88 Cb -0.13 -0.70 0.00 0.00 1.25 0.00 0.00 42.46 42.88 2ch0 s ILE 88 CO 0.20 0.06 0.00 0.61 0.24 0.00 0.00 174.94 176.05 2ch0 n GLY 89 N 5.13 0.74 1.49 6.27 0.00 -1.26 -3.01 105.19 114.54 2ch0 n GLY 89 Ca -0.08 -0.78 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 -2.12 0.59 2.88 -0.02 0.00 -1.26 -5.07 105.19 100.18 2ch0 n GLY 90 Ca -0.06 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 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 0.16 -0.26 4.61 0.00 -1.16 -5.09 121.76 118.02 2ch0 s ALA 91 Ca 0.00 -0.00 -0.17 0.00 0.00 0.00 0.00 51.96 51.79 2ch0 s ALA 91 Cb 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.99 2ch0 s ALA 91 CO 0.00 0.01 0.48 0.16 0.00 0.00 0.00 175.76 176.41 2ch0 s ASP 92 N 0.22 6.39 0.45 0.00 -4.77 -1.26 -0.33 116.67 117.38 2ch0 s ASP 92 Ca -0.02 0.47 0.03 0.00 -3.30 0.00 0.00 52.55 49.73 2ch0 s ASP 92 Cb -0.04 -2.26 -0.03 0.00 -1.09 0.00 0.00 42.92 39.49 2ch0 s ASP 92 CO -0.01 -0.26 0.03 -0.36 0.70 0.00 0.00 175.17 175.28 2ch0 s PHE 93 N 2.21 2.00 -0.41 2.11 0.40 -0.96 -4.88 117.98 118.46 2ch0 s PHE 93 Ca 0.20 -0.96 -0.17 0.00 -0.60 0.00 0.00 56.93 55.40 2ch0 s PHE 93 Cb -0.16 -1.53 0.02 0.00 0.51 0.00 0.00 43.02 41.87 2ch0 s PHE 93 CO 0.09 0.15 0.41 -1.17 0.70 0.00 0.00 175.22 175.40 2ch0 s LEU 94 N -3.75 4.86 0.12 -0.37 2.96 -1.26 -2.38 118.68 118.87 2ch0 s LEU 94 Ca 0.19 -0.66 0.09 0.00 -0.22 0.00 0.00 54.13 53.53 2ch0 s LEU 94 Cb 0.04 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.35 2ch0 s LEU 94 CO 0.10 -0.53 -0.17 0.68 -1.32 0.00 0.00 176.35 175.10 2ch0 s VAL 95 N 2.05 2.87 -0.11 1.68 -7.23 -0.68 -4.35 120.40 114.63 2ch0 s VAL 95 Ca 0.11 -1.53 -0.06 0.00 -1.81 0.00 0.00 61.98 58.69 2ch0 s VAL 95 Cb -0.17 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 2ch0 s VAL 95 CO 0.13 0.07 0.10 0.26 -0.31 0.00 0.00 175.10 175.36 2ch0 s TRP 96 N -1.21 3.48 0.11 2.82 0.51 -0.35 -2.42 118.94 121.88 2ch0 s TRP 96 Ca 0.19 0.44 0.07 0.00 -2.12 0.00 0.00 56.10 54.67 2ch0 s TRP 96 Cb -0.10 -1.90 -0.04 0.00 -0.81 0.00 0.00 33.47 30.62 2ch0 s TRP 96 CO 0.11 0.66 -0.16 1.03 -0.51 0.00 0.00 176.95 178.08 2ch0 s ARG 97 N -0.97 1.02 -0.48 4.98 0.52 -0.51 -0.73 118.95 122.78 2ch0 s ARG 97 Ca 0.14 -1.17 -0.22 0.00 -0.52 0.00 0.00 55.73 53.97 2ch0 s ARG 97 Cb -0.12 -1.04 0.04 0.00 0.52 0.00 0.00 34.95 34.35 2ch0 s ARG 97 CO 0.03 0.22 0.74 -0.46 0.02 0.00 0.00 175.30 175.86 2ch0 s TRP 98 N -1.70 2.98 -0.29 -0.53 -0.11 -0.94 -2.09 118.94 116.26 2ch0 s TRP 98 Ca 0.06 -0.11 0.03 0.00 1.22 0.00 0.00 56.10 57.31 2ch0 s TRP 98 Cb -0.07 -3.64 0.07 0.00 -1.50 0.00 0.00 33.47 28.33 2ch0 s TRP 98 CO 0.04 -1.05 -0.04 0.96 -4.62 0.00 0.00 176.95 172.23 2ch0 s ILE 99 N 3.15 2.26 0.17 5.86 -4.36 -1.25 -3.92 121.20 123.12 2ch0 s ILE 99 Ca 0.24 -1.89 0.10 0.00 -0.26 0.00 0.00 60.65 58.84 2ch0 s ILE 99 Cb -0.14 -2.46 -0.04 0.00 1.25 0.00 0.00 42.46 41.06 2ch0 s ILE 99 CO 0.18 -0.25 -0.15 -1.10 0.24 0.00 0.00 174.94 173.86 2ch0 s GLN 100 N 1.03 1.85 0.77 0.37 -1.52 0.74 -4.90 119.66 118.01 2ch0 s GLN 100 Ca -0.01 -1.33 -0.12 0.00 -1.95 0.00 0.00 55.36 51.95 2ch0 s GLN 100 Cb -0.20 -2.06 0.06 0.00 -0.22 0.00 0.00 33.01 30.59 2ch0 s GLN 100 CO -0.06 0.43 1.13 -2.14 -0.25 0.00 0.00 175.29 174.40 2ch0 s PRO 101 N -2.66 2.11 0.00 2.91 0.02 -1.26 -4.29 135.00 131.83 2ch0 s PRO 101 Ca 0.22 1.41 0.00 0.00 0.02 0.00 0.00 61.00 62.66 2ch0 s PRO 101 Cb -0.09 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.57 2ch0 s PRO 101 CO 0.13 -1.79 0.00 0.45 -0.33 0.00 0.00 177.00 175.46 2ch0 n SER 102 N -3.25 -1.22 -2.48 2.53 2.88 -1.26 -4.69 113.62 106.12 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 0.52 -0.61 0.01 0.00 -0.75 0.00 0.00 64.21 63.38 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 -0.19 -1.84 -0.32 -1.46 0.00 -1.26 -4.35 120.51 111.10 2ch0 n ALA 103 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2ch0 n ALA 103 Cb 0.00 0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.63 2ch0 n ALA 103 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ch0 n SER 104 N -0.80 -0.97 -3.56 0.00 2.88 -1.26 -5.03 113.62 104.88 2ch0 n SER 104 Ca 0.01 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.16 2ch0 n SER 104 Cb 0.33 -0.16 -0.03 0.00 -0.75 0.00 0.00 64.21 63.60 2ch0 n SER 104 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ch0 s ASP 106 N 3.79 1.04 0.00 0.00 1.01 -1.26 -4.96 116.67 116.29 2ch0 s ASP 106 Ca 0.53 0.06 0.00 0.00 0.71 0.00 0.00 52.55 53.85 2ch0 s ASP 106 Cb 0.14 -0.16 0.00 0.00 1.01 0.00 0.00 42.92 43.91 2ch0 s ASP 106 CO 0.00 -0.23 0.00 1.17 0.21 0.00 0.00 175.17 176.32 2ch0 n LYS 107 N 5.14 0.00 0.00 8.23 0.00 -1.26 -4.78 118.16 125.49 2ch0 n LYS 107 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.24 2ch0 n LYS 107 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.53 2ch0 n LYS 107 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2ch0 n ILE 108 N 0.00 -0.55 -0.92 3.15 2.08 -1.26 -4.86 119.36 116.99 2ch0 n ILE 108 Ca 0.00 0.00 -0.23 0.00 0.56 0.00 0.00 62.75 63.08 2ch0 n ILE 108 Cb 0.00 -0.35 -0.06 0.00 -0.75 0.00 0.00 39.64 38.49 2ch0 n ILE 108 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 2ch0 n LEU 109 N -0.38 5.82 0.12 1.39 0.00 -1.26 -4.57 117.00 118.11 2ch0 n LEU 109 Ca 0.00 -3.23 -0.02 0.00 0.00 0.00 0.00 56.01 52.76 2ch0 n LEU 109 Cb 0.00 -1.23 0.08 0.00 0.00 0.00 0.00 43.42 42.27 2ch0 n LEU 109 CO 0.00 1.26 0.40 1.62 0.00 0.00 0.00 177.39 180.66 2ch0 h VAL 110 N 2.91 1.41 -3.50 1.96 3.04 -2.00 -3.41 116.25 116.64 2ch0 h VAL 110 Ca 0.50 -2.49 -0.67 0.00 -1.01 0.00 0.00 66.70 63.03 2ch0 h VAL 110 Cb 0.53 2.38 -0.29 0.00 -2.01 0.00 0.00 31.29 31.89 2ch0 h VAL 110 CO 1.17 0.69 -0.71 0.27 -1.01 0.00 0.00 177.57 177.98 2ch0 s ILE 111 N -3.25 3.30 -1.66 3.17 -4.36 -1.26 -5.02 121.20 112.12 2ch0 s ILE 111 Ca 0.00 -0.80 0.31 0.00 -0.26 0.00 0.00 60.65 59.90 2ch0 s ILE 111 Cb 0.11 -2.64 0.64 0.00 1.25 0.00 0.00 42.46 41.82 2ch0 s ILE 111 CO 0.77 0.23 2.08 -0.81 0.24 0.00 0.00 174.94 177.44 2ch0 n PRO 112 N 4.76 0.67 -3.60 0.37 -0.04 -1.26 -4.84 135.00 131.04 2ch0 n PRO 112 Ca -0.16 -0.05 -0.10 0.00 -0.04 0.00 0.00 63.50 63.15 2ch0 n PRO 112 Cb 0.48 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.39 2ch0 n PRO 112 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2ch0 s SER 113 N -2.37 -0.38 0.00 3.54 0.01 -1.26 -5.06 113.70 108.18 2ch0 s SER 113 Ca 0.35 0.54 0.00 0.00 1.31 0.00 0.00 55.95 58.15 2ch0 s SER 113 Cb 0.21 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.92 2ch0 s SER 113 CO 0.43 -0.26 0.00 1.17 0.41 0.00 0.00 173.24 174.99 2ch0 n LYS 114 N 1.25 0.00 -3.93 12.44 3.00 -1.26 -5.12 118.16 124.54 2ch0 n LYS 114 Ca -0.11 0.00 -0.09 0.00 -0.00 0.00 0.00 58.31 58.11 2ch0 n LYS 114 Cb 0.57 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.55 2ch0 n LYS 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2ch0 s VAL 115 N -1.67 0.03 0.29 3.15 0.11 -1.26 -5.19 120.40 115.86 2ch0 s VAL 115 Ca 0.00 -1.26 0.07 0.00 -2.93 0.00 0.00 61.98 57.85 2ch0 s VAL 115 Cb 0.00 -1.94 -0.03 0.00 -1.53 0.00 0.00 36.38 32.88 2ch0 s VAL 115 CO 0.00 -0.13 0.29 -1.66 -3.33 0.00 0.00 175.10 170.27 2ch0 s TRP 116 N -3.97 3.08 0.16 1.54 -2.14 -1.26 -5.13 118.94 111.22 2ch0 s TRP 116 Ca 0.18 -0.18 -0.19 0.00 2.66 0.00 0.00 56.10 58.57 2ch0 s TRP 116 Cb 0.01 -1.64 -0.08 0.00 -3.10 0.00 0.00 33.47 28.66 2ch0 s TRP 116 CO 0.03 0.32 0.65 -0.65 -2.66 0.00 0.00 176.95 174.64 2ch0 s GLN 117 N -3.96 4.20 0.00 3.25 1.11 -1.26 -4.62 119.66 118.38 2ch0 s GLN 117 Ca 0.37 0.77 0.00 0.00 0.01 0.00 0.00 55.36 56.51 2ch0 s GLN 117 Cb -0.07 -3.01 0.00 0.00 -1.01 0.00 0.00 33.01 28.91 2ch0 s GLN 117 CO 0.27 0.49 0.00 0.41 0.01 0.00 0.00 175.29 176.47 2ch0 n GLY 118 N 1.06 4.05 3.51 3.09 0.00 -1.26 -5.07 105.19 110.57 2ch0 n GLY 118 Ca -0.05 -0.75 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 2ch0 n GLY 118 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ch0 s GLN 119 N 0.00 3.89 0.00 1.61 2.00 -1.26 -4.11 119.66 121.79 2ch0 s GLN 119 Ca 0.00 -2.02 0.00 0.00 -2.00 0.00 0.00 55.36 51.34 2ch0 s GLN 119 Cb 0.00 -5.22 0.00 0.00 0.80 0.00 0.00 33.01 28.59 2ch0 s GLN 119 CO 0.00 -1.98 0.00 0.00 -0.50 0.00 0.00 175.29 172.81 2ch0 n ALA 120 N 7.14 0.00 -2.38 1.58 0.00 -1.26 -5.05 120.51 120.54 2ch0 n ALA 120 Ca 0.37 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.39 2ch0 n ALA 120 Cb 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.91 2ch0 n ALA 120 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2ch0 n PHE 121 N -0.92 4.33 -0.87 0.00 7.35 -1.26 -4.69 117.46 121.39 2ch0 n PHE 121 Ca 0.00 -2.79 0.08 0.00 -0.76 0.00 0.00 57.45 53.98 2ch0 n PHE 121 Cb 0.00 -2.61 0.23 0.00 0.35 0.00 0.00 39.48 37.44 2ch0 n PHE 121 CO 0.00 0.00 0.00 0.72 -0.76 0.00 0.00 176.76 176.72 2ch0 n HIS 122 N 8.24 0.75 -1.96 -5.13 8.25 -1.26 -4.81 115.22 119.30 2ch0 n HIS 122 Ca 0.49 -0.83 -0.01 0.00 -0.26 0.00 0.00 57.72 57.11 2ch0 n HIS 122 Cb 0.45 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.31 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 -0.47 -4.18 -3.34 2.41 7.99 -1.26 -4.95 117.00 113.20 2ch0 n LEU 123 Ca 0.19 0.38 -0.37 0.00 -0.01 0.00 0.00 56.01 56.20 2ch0 n LEU 123 Cb 0.79 -1.86 -0.03 0.00 -0.11 0.00 0.00 43.42 42.21 2ch0 n LEU 123 CO 0.12 -1.03 3.19 -0.67 -1.51 0.00 0.00 177.39 177.49 2ch0 n ASP 124 N -0.05 7.73 -0.35 -1.43 2.03 -1.26 -4.25 116.55 118.98 2ch0 n ASP 124 Ca 0.02 -2.56 0.04 0.00 0.52 0.00 0.00 54.79 52.80 2ch0 n ASP 124 Cb 0.07 -1.50 0.06 0.00 -0.72 0.00 0.00 41.12 39.03 2ch0 n ASP 124 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2ch0 n ARG 125 N 3.95 1.31 -1.70 -0.67 0.63 -1.26 -4.83 116.66 114.09 2ch0 n ARG 125 Ca 0.72 -1.35 -0.38 0.00 -0.92 0.00 0.00 57.85 55.92 2ch0 n ARG 125 Cb 0.23 -1.16 -0.05 0.00 0.45 0.00 0.00 32.46 31.94 2ch0 n ARG 125 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2ch0 n ARG 126 N 0.30 1.85 -1.60 -0.14 0.63 -1.26 -3.15 116.66 113.29 2ch0 n ARG 126 Ca 0.06 -2.30 0.00 0.00 -0.92 0.00 0.00 57.85 54.68 2ch0 n ARG 126 Cb 0.26 -3.32 0.00 0.00 0.45 0.00 0.00 32.46 29.86 2ch0 n ARG 126 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2ch0 n LEU 127 N 10.05 -1.56 -4.55 6.15 4.77 -1.26 -5.03 117.00 125.56 2ch0 n LEU 127 Ca 0.48 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 56.08 2ch0 n LEU 127 Cb 0.43 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 2ch0 n LEU 127 CO 0.86 0.00 1.37 -0.70 -1.33 0.00 0.00 177.39 177.59 2ch0 s GLU 128 N -2.99 3.10 -0.70 3.23 2.12 -1.19 -4.35 118.70 117.93 2ch0 s GLU 128 Ca 0.00 -0.34 -0.03 0.00 0.36 0.00 0.00 54.97 54.96 2ch0 s GLU 128 Cb 0.00 -4.69 -0.03 0.00 0.26 0.00 0.00 34.13 29.67 2ch0 s GLU 128 CO 0.00 -2.46 0.60 0.54 -0.54 0.00 0.00 175.26 173.40 2ch0 n ARG 129 N 9.13 -2.25 -1.55 4.30 5.12 -1.26 -4.98 116.66 125.16 2ch0 n ARG 129 Ca 0.20 0.55 -0.36 0.00 -1.93 0.00 0.00 57.85 56.32 2ch0 n ARG 129 Cb 0.50 -4.38 -0.04 0.00 -1.16 0.00 0.00 32.46 27.39 2ch0 n ARG 129 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2ch0 n PRO 130 N -2.72 3.77 0.00 5.56 -0.04 -1.26 -4.72 135.00 135.60 2ch0 n PRO 130 Ca -0.09 -2.56 0.00 0.00 -0.04 0.00 0.00 63.50 60.81 2ch0 n PRO 130 Cb 0.59 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 2ch0 n PRO 130 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2ch0 n HIS 131 N 2.57 0.00 -3.61 0.54 -0.00 -1.26 -4.93 115.22 108.53 2ch0 n HIS 131 Ca 0.67 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 58.65 2ch0 n HIS 131 Cb 0.33 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.19 2ch0 n HIS 131 CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 2ch0 s ARG 132 N 0.00 3.26 0.00 1.57 1.70 -1.26 -5.30 118.95 118.92 2ch0 s ARG 132 Ca 0.00 -0.83 0.20 0.00 -0.47 0.00 0.00 55.73 54.63 2ch0 s ARG 132 Cb 0.00 -2.81 1.19 0.00 -0.57 0.00 0.00 34.95 32.76 2ch0 s ARG 132 CO 0.00 0.18 1.58 -0.25 -1.08 0.00 0.00 175.30 175.73