#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 -0.20 0.90 1.61 0.01 -1.26 -5.20 113.70 109.57 2ch0 s SER 2 Ca 0.00 0.26 -0.11 0.00 1.31 0.00 0.00 55.95 57.41 2ch0 s SER 2 Cb 0.00 0.22 0.19 0.00 0.21 0.00 0.00 66.02 66.64 2ch0 s SER 2 CO 0.00 -0.15 1.24 -2.84 0.41 0.00 0.00 173.24 171.90 2ch0 s PRO 3 N -0.78 0.82 0.00 12.44 0.02 -1.26 -5.07 135.00 141.17 2ch0 s PRO 3 Ca 0.04 -0.70 0.00 0.00 0.02 0.00 0.00 61.00 60.36 2ch0 s PRO 3 Cb -0.02 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.52 2ch0 s PRO 3 CO -0.05 -2.21 0.00 -0.85 -0.33 0.00 0.00 177.00 173.56 2ch0 n GLU 4 N -3.53 0.00 -2.42 5.54 0.28 -1.26 -5.14 120.64 114.12 2ch0 n GLU 4 Ca 0.16 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 57.13 2ch0 n GLU 4 Cb 0.60 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.47 2ch0 n GLU 4 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2ch0 n PHE 5 N -1.05 -2.15 -0.00 -1.84 3.72 -1.26 -5.03 117.46 109.85 2ch0 n PHE 5 Ca 0.00 0.85 0.00 0.00 -0.05 0.00 0.00 57.45 58.25 2ch0 n PHE 5 Cb 0.00 -3.19 0.00 0.00 -0.94 0.00 0.00 39.48 35.35 2ch0 n PHE 5 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 2ch0 n ARG 6 N -0.76 -0.96 -4.42 -1.08 1.85 -1.26 -5.03 116.66 105.00 2ch0 n ARG 6 Ca 0.05 -0.51 -0.21 0.00 -1.00 0.00 0.00 57.85 56.19 2ch0 n ARG 6 Cb 0.37 -1.00 -0.10 0.00 -1.05 0.00 0.00 32.46 30.68 2ch0 n ARG 6 CO 0.00 0.00 0.00 1.67 -0.01 0.00 0.00 177.63 179.29 2ch0 s TRP 7 N -0.01 1.88 -0.10 2.89 -2.14 -1.26 -5.15 118.94 115.05 2ch0 s TRP 7 Ca 0.00 -0.89 -0.11 0.00 2.66 0.00 0.00 56.10 57.76 2ch0 s TRP 7 Cb 0.00 -1.17 -0.04 0.00 -3.10 0.00 0.00 33.47 29.17 2ch0 s TRP 7 CO 0.00 0.06 -0.21 0.25 -2.66 0.00 0.00 176.95 174.39 2ch0 n THR 8 N -0.61 1.02 0.12 0.66 -2.24 -1.26 -4.86 114.28 107.12 2ch0 n THR 8 Ca -0.04 0.25 -0.02 0.00 -2.27 0.00 0.00 64.05 61.98 2ch0 n THR 8 Cb 0.65 -2.00 0.13 0.00 -2.10 0.00 0.00 70.33 67.01 2ch0 n THR 8 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2ch0 h LYS 9 N -0.61 0.01 0.00 -0.78 1.57 -2.04 -3.30 116.57 111.42 2ch0 h LYS 9 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2ch0 h LYS 9 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2ch0 h LYS 9 CO 0.00 0.67 0.00 0.39 -0.57 0.00 0.00 179.45 179.94 2ch0 n GLU 10 N -3.75 0.08 0.23 3.15 1.02 -1.26 -1.33 120.64 118.78 2ch0 n GLU 10 Ca -0.01 0.55 0.07 0.00 -0.02 0.00 0.00 57.16 57.75 2ch0 n GLU 10 Cb 0.66 -1.76 0.55 0.00 -0.02 0.00 0.00 31.44 30.87 2ch0 n GLU 10 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2ch0 h GLU 11 N 0.00 0.00 -0.03 3.49 5.08 -1.91 -2.98 114.58 118.24 2ch0 h GLU 11 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 2ch0 h GLU 11 Cb 0.04 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.30 2ch0 h GLU 11 CO 0.00 0.16 -0.47 0.93 -1.00 0.00 0.00 179.01 178.63 2ch0 h GLU 12 N 0.00 0.37 -0.30 2.33 5.08 -1.47 -3.38 114.58 117.20 2ch0 h GLU 12 Ca -0.00 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 2ch0 h GLU 12 Cb 0.31 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 2ch0 h GLU 12 CO 0.02 1.03 0.16 1.49 -1.00 0.00 0.00 179.01 180.71 2ch0 h GLU 13 N -0.16 0.42 0.00 2.33 4.57 -1.69 -3.34 114.58 116.71 2ch0 h GLU 13 Ca -0.05 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.05 2ch0 h GLU 13 Cb 1.17 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.67 2ch0 h GLU 13 CO 0.09 0.37 -0.15 0.00 -1.18 0.00 0.00 179.01 178.14 2ch0 h THR 14 N 0.36 1.04 -3.92 0.32 1.03 -1.71 -3.44 112.91 106.59 2ch0 h THR 14 Ca 0.10 -0.51 -0.46 0.00 -0.01 0.00 0.00 66.41 65.53 2ch0 h THR 14 Cb 0.07 1.28 -0.02 0.00 -1.07 0.00 0.00 68.15 68.41 2ch0 h THR 14 CO -0.02 0.14 0.35 0.00 -0.01 0.00 0.00 175.52 175.98 2ch0 s ARG 15 N -4.66 4.51 0.00 0.00 1.70 -1.25 -4.02 118.95 115.22 2ch0 s ARG 15 Ca -0.04 1.29 0.00 0.00 -0.47 0.00 0.00 55.73 56.51 2ch0 s ARG 15 Cb 0.16 -2.68 0.00 0.00 -0.57 0.00 0.00 34.95 31.86 2ch0 s ARG 15 CO 0.68 0.21 0.00 1.04 -1.08 0.00 0.00 175.30 176.15 2ch0 n GLN 16 N 0.32 0.00 -0.30 3.89 1.13 -1.26 -4.82 117.38 116.35 2ch0 n GLN 16 Ca 0.03 0.00 0.23 0.00 -1.94 0.00 0.00 57.00 55.32 2ch0 n GLN 16 Cb 0.51 -0.18 0.54 0.00 0.11 0.00 0.00 30.24 31.22 2ch0 n GLN 16 CO 0.00 0.00 0.00 1.98 -1.44 0.00 0.00 177.06 177.60 2ch0 h MET 17 N 0.25 0.34 0.00 -1.09 4.05 -1.87 -2.87 114.93 113.75 2ch0 h MET 17 Ca 0.00 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 2ch0 h MET 17 Cb 0.00 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 30.72 2ch0 h MET 17 CO 0.00 0.23 0.27 1.88 0.23 0.00 0.00 176.91 179.52 2ch0 h TYR 18 N 0.35 0.00 0.00 1.39 0.05 -1.88 0.72 116.97 117.60 2ch0 h TYR 18 Ca 0.55 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.33 2ch0 h TYR 18 Cb 1.48 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.22 2ch0 h TYR 18 CO -0.00 0.00 -0.43 -3.47 -1.05 0.00 0.00 178.16 173.21 2ch0 n ASP 19 N -2.37 0.96 -0.28 3.88 2.03 -1.08 -4.59 116.55 115.10 2ch0 n ASP 19 Ca -0.01 0.25 0.08 0.00 0.52 0.00 0.00 54.79 55.63 2ch0 n ASP 19 Cb 0.31 -0.64 0.32 0.00 -0.72 0.00 0.00 41.12 40.38 2ch0 n ASP 19 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 2ch0 h MET 20 N -0.50 0.82 -0.01 -0.67 1.85 -1.68 -2.77 114.93 111.96 2ch0 h MET 20 Ca 0.00 -0.05 -0.15 0.00 -0.61 0.00 0.00 59.70 58.89 2ch0 h MET 20 Cb 0.43 -0.18 -0.02 0.00 0.43 0.00 0.00 31.60 32.26 2ch0 h MET 20 CO 0.00 0.54 -0.70 -0.39 -0.40 0.00 0.00 176.91 175.96 2ch0 h VAL 21 N 0.84 1.48 -0.94 -5.77 -1.51 -1.16 -3.35 116.25 105.84 2ch0 h VAL 21 Ca 0.41 -2.32 0.19 0.00 -1.23 0.00 0.00 66.70 63.75 2ch0 h VAL 21 Cb 0.46 2.25 -0.08 0.00 -2.13 0.00 0.00 31.29 31.79 2ch0 h VAL 21 CO -0.18 0.67 0.60 0.58 -1.23 0.00 0.00 177.57 178.01 2ch0 h VAL 22 N 0.04 0.71 -0.02 7.19 2.07 -1.69 0.43 116.25 124.97 2ch0 h VAL 22 Ca -0.01 -0.19 -0.17 0.00 0.82 0.00 0.00 66.70 67.15 2ch0 h VAL 22 Cb 1.23 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2ch0 h VAL 22 CO 0.10 0.10 -0.75 0.07 0.02 0.00 0.00 177.57 177.11 2ch0 h LYS 23 N 0.55 0.15 0.05 1.57 2.10 -1.73 -3.35 116.57 115.91 2ch0 h LYS 23 Ca 0.50 -0.13 -0.25 0.00 -2.00 0.00 0.00 60.65 58.76 2ch0 h LYS 23 Cb 1.03 0.03 0.01 0.00 -0.90 0.00 0.00 32.23 32.40 2ch0 h LYS 23 CO -0.24 0.83 -1.06 0.82 -2.00 0.00 0.00 179.45 177.80 2ch0 h ILE 24 N 0.09 1.39 -0.65 0.07 2.04 -1.33 -3.36 117.51 115.76 2ch0 h ILE 24 Ca -0.02 -2.55 0.19 0.00 1.00 0.00 0.00 64.86 63.48 2ch0 h ILE 24 Cb 1.32 2.56 -0.03 0.00 -0.74 0.00 0.00 36.82 39.94 2ch0 h ILE 24 CO 0.11 0.76 0.47 0.16 0.00 0.00 0.00 178.15 179.65 2ch0 h ILE 25 N 0.22 0.68 0.00 -0.67 3.07 -0.35 0.10 117.51 120.57 2ch0 h ILE 25 Ca -0.11 -0.00 -0.06 0.00 1.55 0.00 0.00 64.86 66.24 2ch0 h ILE 25 Cb 1.72 0.67 -0.01 0.00 -0.27 0.00 0.00 36.82 38.93 2ch0 h ILE 25 CO 0.19 0.00 -0.27 0.44 -1.05 0.00 0.00 178.15 177.46 2ch0 h ASP 26 N 0.01 0.00 -0.16 2.16 3.32 -1.75 -3.35 116.42 116.66 2ch0 h ASP 26 Ca 0.31 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.35 2ch0 h ASP 26 Cb 1.23 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 2ch0 h ASP 26 CO -0.01 0.27 0.06 1.62 -1.72 0.00 0.00 179.24 179.46 2ch0 h VAL 27 N 0.00 1.17 0.09 -1.35 3.04 -0.96 -2.94 116.25 115.31 2ch0 h VAL 27 Ca -0.00 -0.52 -0.00 0.00 -1.01 0.00 0.00 66.70 65.16 2ch0 h VAL 27 Cb 0.78 1.23 0.00 0.00 -2.01 0.00 0.00 31.29 31.28 2ch0 h VAL 27 CO 0.03 0.16 -0.05 -0.07 -1.01 0.00 0.00 177.57 176.64 2ch0 h LEU 28 N 0.08 -0.11 -2.05 3.16 4.07 -1.71 -3.31 115.31 115.45 2ch0 h LEU 28 Ca 0.05 -0.45 0.12 0.00 0.08 0.00 0.00 57.88 57.68 2ch0 h LEU 28 Cb 0.20 0.03 -0.02 0.00 1.08 0.00 0.00 40.66 41.95 2ch0 h LEU 28 CO -0.00 0.44 0.33 0.08 -1.08 0.00 0.00 178.44 178.20 2ch0 h ARG 29 N -0.70 0.00 -0.19 1.13 0.11 -1.69 -1.75 114.38 111.29 2ch0 h ARG 29 Ca -0.01 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.99 2ch0 h ARG 29 Cb 0.55 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.62 2ch0 h ARG 29 CO 0.02 0.00 -0.17 1.03 0.10 0.00 0.00 179.97 180.95 2ch0 h SER 30 N 0.00 0.48 0.15 0.08 0.87 -1.65 0.26 113.55 113.75 2ch0 h SER 30 Ca 0.19 -0.47 -0.16 0.00 -1.23 0.00 0.00 61.79 60.12 2ch0 h SER 30 Cb 0.84 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.66 2ch0 h SER 30 CO -0.00 0.85 -0.61 1.12 -0.53 0.00 0.00 176.83 177.66 2ch0 h HIS 31 N 0.12 0.58 -0.10 2.24 2.07 -1.58 -3.33 115.15 115.16 2ch0 h HIS 31 Ca 0.03 -0.22 -0.02 0.00 -2.85 0.00 0.00 60.37 57.31 2ch0 h HIS 31 Cb 0.70 -0.10 -0.00 0.00 2.57 0.00 0.00 27.41 30.58 2ch0 h HIS 31 CO 0.08 0.94 -0.01 -0.91 -3.07 0.00 0.00 177.93 174.96 2ch0 h ASN 32 N 0.34 0.18 -0.58 3.10 2.35 -1.10 0.37 115.58 120.24 2ch0 h ASN 32 Ca -0.01 -0.35 0.06 0.00 -0.55 0.00 0.00 56.30 55.46 2ch0 h ASN 32 Cb 1.15 -0.05 -0.03 0.00 0.05 0.00 0.00 38.32 39.44 2ch0 h ASN 32 CO 0.11 0.48 0.39 1.05 -1.65 0.00 0.00 177.43 177.81 2ch0 h GLU 33 N -0.13 0.53 -0.07 0.81 -0.00 -0.62 0.35 114.58 115.45 2ch0 h GLU 33 Ca 0.03 -0.03 -0.22 0.00 -0.00 0.00 0.00 59.36 59.14 2ch0 h GLU 33 Cb 0.40 -0.12 0.01 0.00 -0.00 0.00 0.00 28.75 29.04 2ch0 h GLU 33 CO 0.01 0.35 -0.80 0.00 -0.00 0.00 0.00 179.01 178.57 2ch0 h ALA 34 N 1.69 0.19 -0.02 1.06 0.00 -1.66 -3.40 119.26 117.12 2ch0 h ALA 34 Ca 0.25 -0.61 -0.14 0.00 0.00 0.00 0.00 54.91 54.41 2ch0 h ALA 34 Cb 0.29 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2ch0 h ALA 34 CO -0.07 0.59 -0.64 0.00 0.00 0.00 0.00 179.25 179.12 2ch0 n GLN 36 N -3.80 0.08 -0.00 0.00 -0.00 -0.05 -1.24 117.38 112.37 2ch0 n GLN 36 Ca -0.02 0.49 0.05 0.00 -0.00 0.00 0.00 57.00 57.52 2ch0 n GLN 36 Cb 0.64 -1.71 -0.06 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 -1.87 3.09 -3.95 2.61 4.07 -1.19 -0.90 120.64 122.49 2ch0 n GLU 37 Ca 0.00 -0.02 -0.20 0.00 -0.06 0.00 0.00 57.16 56.88 2ch0 n GLU 37 Cb 0.08 -1.01 -0.06 0.00 -0.06 0.00 0.00 31.44 30.38 2ch0 n GLU 37 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2ch0 n ASN 38 N -1.35 1.04 -1.07 4.31 2.85 -0.38 -5.03 115.26 115.63 2ch0 n ASN 38 Ca 0.01 -2.78 0.00 0.00 -0.11 0.00 0.00 54.58 51.70 2ch0 n ASN 38 Cb 0.17 0.89 0.00 0.00 1.24 0.00 0.00 39.78 42.08 2ch0 n ASN 38 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 2ch0 n LYS 39 N -0.73 0.14 0.00 1.20 -0.00 -1.26 -4.62 118.16 112.89 2ch0 n LYS 39 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.27 2ch0 n LYS 39 Cb 0.50 -1.43 0.00 0.00 -0.00 0.00 0.00 35.03 34.10 2ch0 n LYS 39 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2ch0 n ASP 40 N 1.00 0.00 0.00 -5.58 8.00 -1.25 -4.89 116.55 113.84 2ch0 n ASP 40 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2ch0 n ASP 40 Cb 0.07 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 2ch0 n ASP 40 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ch0 n LEU 41 N 0.00 0.00 -1.75 0.64 -0.00 -1.26 -3.74 117.00 110.89 2ch0 n LEU 41 Ca 0.00 0.03 -0.14 0.00 -0.00 0.00 0.00 56.01 55.90 2ch0 n LEU 41 Cb 0.00 -0.03 0.06 0.00 -0.00 0.00 0.00 43.42 43.45 2ch0 n LEU 41 CO 0.00 -0.03 1.05 1.67 -0.00 0.00 0.00 177.39 180.08 2ch0 n GLN 42 N -0.77 1.71 -0.42 1.47 0.00 -1.26 -4.90 117.38 113.22 2ch0 n GLN 42 Ca 0.00 -1.54 0.40 0.00 -0.00 0.00 0.00 57.00 55.86 2ch0 n GLN 42 Cb 0.15 -1.60 0.74 0.00 0.00 0.00 0.00 30.24 29.53 2ch0 n GLN 42 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.06 175.71 2ch0 h PRO 43 N 0.97 0.00 -1.94 3.69 0.11 -1.87 -2.61 132.00 130.35 2ch0 h PRO 43 Ca 0.31 0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.55 2ch0 h PRO 43 Cb 1.43 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.36 2ch0 h PRO 43 CO 0.66 0.00 0.58 0.71 -0.21 0.00 0.00 178.00 179.73 2ch0 s TYR 44 N -4.82 -0.30 -0.05 0.65 2.02 -1.26 -4.79 117.35 108.79 2ch0 s TYR 44 Ca -0.05 0.28 -0.21 0.00 -0.37 0.00 0.00 57.07 56.72 2ch0 s TYR 44 Cb 0.23 0.51 0.04 0.00 -0.40 0.00 0.00 41.96 42.34 2ch0 s TYR 44 CO 0.77 -0.42 0.47 -1.64 -1.57 0.00 0.00 175.55 173.16 2ch0 s MET 45 N -2.48 0.81 0.74 -0.62 -1.94 -0.52 -4.96 119.30 110.33 2ch0 s MET 45 Ca 0.04 0.08 -0.12 0.00 -1.71 0.00 0.00 55.69 53.98 2ch0 s MET 45 Cb -0.01 0.37 0.04 0.00 2.01 0.00 0.00 34.83 37.24 2ch0 s MET 45 CO -0.06 -0.23 1.12 -1.25 -0.01 0.00 0.00 175.02 174.59 2ch0 s PRO 46 N -1.10 2.54 0.09 2.03 0.04 -1.26 -1.70 135.00 135.64 2ch0 s PRO 46 Ca -0.11 0.40 -0.25 0.00 0.04 0.00 0.00 61.00 61.08 2ch0 s PRO 46 Cb -0.03 -1.99 -0.13 0.00 0.04 0.00 0.00 34.50 32.39 2ch0 s PRO 46 CO 0.06 -1.25 1.69 0.82 0.04 0.00 0.00 177.00 178.36 2ch0 h ILE 47 N -0.81 0.74 0.00 0.56 2.04 -1.94 -1.77 117.51 116.33 2ch0 h ILE 47 Ca -0.46 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.40 2ch0 h ILE 47 Cb 1.27 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 2ch0 h ILE 47 CO 0.64 0.00 0.31 1.55 0.00 0.00 0.00 178.15 180.65 2ch0 h PRO 48 N -0.27 0.00 -0.50 2.37 0.14 -1.96 -3.32 132.00 128.46 2ch0 h PRO 48 Ca -0.00 0.00 0.07 0.00 0.14 0.00 0.00 66.00 66.21 2ch0 h PRO 48 Cb 0.25 0.00 -0.06 0.00 0.14 0.00 0.00 31.00 31.34 2ch0 h PRO 48 CO -0.02 0.00 0.18 1.25 0.14 0.00 0.00 178.00 179.55 2ch0 h HIS 49 N 0.00 0.31 -0.24 1.56 -0.00 -1.69 0.17 115.15 115.25 2ch0 h HIS 49 Ca 0.00 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.35 2ch0 h HIS 49 Cb 0.62 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.95 2ch0 h HIS 49 CO 0.00 0.10 -0.03 -0.39 -0.00 0.00 0.00 177.93 177.61 2ch0 h VAL 50 N 0.35 1.17 0.00 5.26 -1.51 -1.74 -1.28 116.25 118.50 2ch0 h VAL 50 Ca 0.24 -0.68 -0.09 0.00 -1.23 0.00 0.00 66.70 64.93 2ch0 h VAL 50 Cb 0.25 1.02 -0.01 0.00 -2.13 0.00 0.00 31.29 30.42 2ch0 h VAL 50 CO -0.24 0.23 -0.44 0.08 -1.23 0.00 0.00 177.57 175.97 2ch0 h ARG 51 N 0.36 0.00 0.00 5.19 -0.00 -1.51 -3.30 114.38 115.12 2ch0 h ARG 51 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.06 2ch0 h ARG 51 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.26 2ch0 h ARG 51 CO 0.01 0.44 0.16 -3.47 -0.00 0.00 0.00 179.97 177.11 2ch0 n ASP 52 N -3.95 0.42 0.00 0.08 2.03 0.51 -1.09 116.55 114.55 2ch0 n ASP 52 Ca -0.02 0.64 -0.01 0.00 0.52 0.00 0.00 54.79 55.92 2ch0 n ASP 52 Cb 0.47 -0.64 -0.11 0.00 -0.72 0.00 0.00 41.12 40.12 2ch0 n ASP 52 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2ch0 n SER 53 N -2.11 0.64 0.17 1.67 2.88 -1.24 -4.56 113.62 111.07 2ch0 n SER 53 Ca -0.01 0.28 0.01 0.00 -1.33 0.00 0.00 58.87 57.82 2ch0 n SER 53 Cb 0.19 0.47 0.29 0.00 -0.75 0.00 0.00 64.21 64.40 2ch0 n SER 53 CO 0.00 0.00 0.00 0.17 -1.23 0.00 0.00 175.04 173.98 2ch0 h LEU 54 N 0.00 0.00 -7.29 2.46 -0.00 -1.23 -3.43 115.31 105.82 2ch0 h LEU 54 Ca -0.21 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.58 2ch0 h LEU 54 Cb 1.64 0.00 -0.20 0.00 -0.00 0.00 0.00 40.66 42.11 2ch0 h LEU 54 CO 0.04 0.46 -0.08 -0.63 -0.00 0.00 0.00 178.44 178.24 2ch0 s ILE 55 N -3.95 0.03 -0.10 0.15 -1.09 -1.26 -5.00 121.20 109.98 2ch0 s ILE 55 Ca -0.02 -0.26 0.01 0.00 -2.23 0.00 0.00 60.65 58.14 2ch0 s ILE 55 Cb 0.14 -0.78 -0.25 0.00 -1.58 0.00 0.00 42.46 39.99 2ch0 s ILE 55 CO 0.74 -0.15 0.44 0.00 -1.23 0.00 0.00 174.94 174.74 2ch0 n GLN 56 N 1.17 0.71 0.00 2.79 1.13 -1.26 -4.43 117.38 117.49 2ch0 n GLN 56 Ca -0.20 0.26 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 2ch0 n GLN 56 Cb 0.56 -1.73 0.00 0.00 0.11 0.00 0.00 30.24 29.19 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 -3.31 0.78 0.18 -1.09 -0.04 -1.26 -4.78 135.00 125.48 2ch0 n PRO 57 Ca -0.27 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.23 2ch0 n PRO 57 Cb 1.05 0.00 0.29 0.00 -0.04 0.00 0.00 33.50 34.80 2ch0 n PRO 57 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ch0 h HIS 58 N 0.00 0.00 -0.11 0.54 3.86 -2.05 -3.17 115.15 114.21 2ch0 h HIS 58 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2ch0 h HIS 58 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2ch0 h HIS 58 CO 0.00 0.43 0.00 -0.25 0.86 0.00 0.00 177.93 178.97 2ch0 n ASP 59 N -3.59 1.10 -0.26 2.45 8.00 -1.26 -4.54 116.55 118.45 2ch0 n ASP 59 Ca -0.00 -1.61 0.05 0.00 0.71 0.00 0.00 54.79 53.94 2ch0 n ASP 59 Cb 0.54 -0.07 0.16 0.00 -0.02 0.00 0.00 41.12 41.73 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 1.46 0.09 0.00 -1.24 -0.00 -1.76 -0.86 114.38 112.07 2ch0 h ARG 60 Ca 0.00 -0.01 -0.05 0.00 -0.00 0.00 0.00 59.98 59.93 2ch0 h ARG 60 Cb 0.32 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.97 30.26 2ch0 h ARG 60 CO 0.00 0.06 -0.22 -0.22 -0.00 0.00 0.00 179.97 179.59 2ch0 h LYS 61 N 0.09 0.00 -0.14 0.08 3.11 -1.88 -3.35 116.57 114.48 2ch0 h LYS 61 Ca 0.42 0.00 0.04 0.00 -2.81 0.00 0.00 60.65 58.30 2ch0 h LYS 61 Cb 0.74 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.96 2ch0 h LYS 61 CO -0.69 0.22 0.28 -0.22 -2.81 0.00 0.00 179.45 176.24 2ch0 h LYS 62 N 0.00 0.00 -0.17 1.90 3.11 -1.47 0.73 116.57 120.68 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 0.67 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.90 2ch0 h LYS 62 CO 0.03 0.00 0.00 -1.33 -2.81 0.00 0.00 179.45 175.34 2ch0 n MET 63 N -3.32 2.04 -0.00 1.90 2.81 -1.26 -4.52 117.12 114.78 2ch0 n MET 63 Ca 0.01 -1.60 -0.12 0.00 -1.81 0.00 0.00 57.70 54.18 2ch0 n MET 63 Cb 0.38 -1.17 0.01 0.00 -0.71 0.00 0.00 33.22 31.73 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 1.44 0.61 -0.83 0.03 3.64 -1.00 -2.19 116.57 118.27 2ch0 h LYS 64 Ca 0.00 -0.43 0.03 0.00 -1.27 0.00 0.00 60.65 58.98 2ch0 h LYS 64 Cb 0.56 0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.39 2ch0 h LYS 64 CO 0.00 1.04 0.53 -0.22 -2.27 0.00 0.00 179.45 178.54 2ch0 h LYS 65 N 0.45 1.02 0.01 1.90 1.63 -1.77 -1.74 116.57 118.07 2ch0 h LYS 65 Ca -0.01 -0.06 -0.19 0.00 -0.85 0.00 0.00 60.65 59.54 2ch0 h LYS 65 Cb 1.20 -0.23 -0.01 0.00 -0.60 0.00 0.00 32.23 32.59 2ch0 h LYS 65 CO 0.12 0.67 -0.87 -0.24 -3.45 0.00 0.00 179.45 175.68 2ch0 h VAL 66 N 1.05 1.52 -0.77 2.00 3.04 -1.84 -3.30 116.25 117.95 2ch0 h VAL 66 Ca 0.33 -2.70 0.06 0.00 -1.01 0.00 0.00 66.70 63.38 2ch0 h VAL 66 Cb -0.01 2.50 -0.05 0.00 -2.01 0.00 0.00 31.29 31.72 2ch0 h VAL 66 CO -0.11 0.78 0.50 -0.25 -1.01 0.00 0.00 177.57 177.49 2ch0 h TRP 67 N 0.08 0.85 -0.65 3.17 2.91 -0.86 0.29 115.95 121.74 2ch0 h TRP 67 Ca -0.04 0.02 0.07 0.00 1.13 0.00 0.00 58.89 60.07 2ch0 h TRP 67 Cb 1.51 -0.28 -0.04 0.00 -0.51 0.00 0.00 29.16 29.84 2ch0 h TRP 67 CO 0.02 0.46 0.43 -0.44 -1.03 0.00 0.00 178.44 177.89 2ch0 h ASP 68 N 0.86 0.56 0.05 2.65 3.32 -1.41 0.23 116.42 122.67 2ch0 h ASP 68 Ca 0.32 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.37 2ch0 h ASP 68 Cb 0.18 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2ch0 h ASP 68 CO -0.11 0.36 -0.02 -0.09 -1.72 0.00 0.00 179.24 177.66 2ch0 h ARG 69 N 0.63 -0.06 -0.46 3.56 1.12 -1.55 -3.40 114.38 114.23 2ch0 h ARG 69 Ca 0.29 0.00 0.06 0.00 -1.11 0.00 0.00 59.98 59.22 2ch0 h ARG 69 Cb 0.31 0.01 -0.03 0.00 -0.01 0.00 0.00 29.97 30.26 2ch0 h ARG 69 CO -0.09 0.45 0.31 0.00 -3.11 0.00 0.00 179.97 177.53 2ch0 h ALA 70 N -0.42 1.97 -0.40 2.80 0.00 -0.12 -1.74 119.26 121.35 2ch0 h ALA 70 Ca -0.01 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.96 2ch0 h ALA 70 Cb 0.54 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2ch0 h ALA 70 CO 0.01 -0.05 0.28 -0.24 0.00 0.00 0.00 179.25 179.24 2ch0 h VAL 71 N 0.36 0.91 -0.10 0.00 3.04 -0.77 -1.82 116.25 117.87 2ch0 h VAL 71 Ca 0.20 -0.08 -0.01 0.00 -1.01 0.00 0.00 66.70 65.80 2ch0 h VAL 71 Cb 0.34 0.67 -0.00 0.00 -2.01 0.00 0.00 31.29 30.28 2ch0 h VAL 71 CO -0.05 0.04 0.01 -0.78 -1.01 0.00 0.00 177.57 175.78 2ch0 h ASP 72 N 0.22 0.15 -0.24 3.17 3.58 -1.52 -1.47 116.42 120.31 2ch0 h ASP 72 Ca 0.18 -0.27 -0.05 0.00 0.42 0.00 0.00 57.03 57.31 2ch0 h ASP 72 Cb 0.44 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 2ch0 h ASP 72 CO -0.03 0.39 -0.04 0.15 -2.88 0.00 0.00 179.24 176.83 2ch0 h PHE 73 N -0.09 0.50 -0.88 0.28 3.57 -1.64 -3.32 116.94 115.37 2ch0 h PHE 73 Ca 0.03 -0.10 0.16 0.00 3.53 0.00 0.00 57.97 61.58 2ch0 h PHE 73 Cb 0.30 -0.12 -0.10 0.00 2.79 0.00 0.00 35.95 38.82 2ch0 h PHE 73 CO 0.02 0.66 0.47 1.25 -2.23 0.00 0.00 178.31 178.48 2ch0 h LEU 74 N 0.20 0.57 -0.72 0.59 6.46 -1.35 -1.86 115.31 119.19 2ch0 h LEU 74 Ca 0.06 0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.92 2ch0 h LEU 74 Cb 0.49 0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.43 2ch0 h LEU 74 CO 0.02 0.22 0.00 0.00 -0.62 0.00 0.00 178.44 178.06 2ch0 n ALA 75 N -2.41 1.15 0.07 1.25 0.00 -0.56 -0.04 120.51 119.97 2ch0 n ALA 75 Ca 0.19 0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.83 2ch0 n ALA 75 Cb 0.47 -1.20 -0.11 0.00 0.00 0.00 0.00 19.45 18.61 2ch0 n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ch0 n ALA 76 N -1.65 2.80 -0.10 0.00 0.00 -0.71 -4.03 120.51 116.81 2ch0 n ALA 76 Ca -0.00 -0.43 -0.16 0.00 0.00 0.00 0.00 53.44 52.85 2ch0 n ALA 76 Cb 0.05 -0.86 -0.06 0.00 0.00 0.00 0.00 19.45 18.58 2ch0 n ALA 76 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2ch0 n ASN 77 N -2.35 1.92 -3.37 0.00 5.15 -0.79 -4.82 115.26 110.99 2ch0 n ASN 77 Ca -0.02 0.39 -0.26 0.00 -0.60 0.00 0.00 54.58 54.09 2ch0 n ASN 77 Cb 0.55 -0.81 -0.08 0.00 -0.53 0.00 0.00 39.78 38.91 2ch0 n ASN 77 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2ch0 n GLU 78 N -4.42 1.55 -1.40 1.20 1.02 0.94 -5.03 120.64 114.50 2ch0 n GLU 78 Ca -0.27 -3.96 -0.39 0.00 -0.02 0.00 0.00 57.16 52.53 2ch0 n GLU 78 Cb 0.61 -1.80 -0.02 0.00 -0.02 0.00 0.00 31.44 30.21 2ch0 n GLU 78 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2ch0 n SER 79 N 1.35 5.89 0.00 1.62 2.88 -1.26 -4.62 113.62 119.47 2ch0 n SER 79 Ca 0.26 -2.66 0.00 0.00 -1.33 0.00 0.00 58.87 55.14 2ch0 n SER 79 Cb 0.46 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.41 2ch0 n SER 79 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2ch0 n ARG 80 N 4.94 0.00 -2.07 -1.46 1.74 -1.26 -4.97 116.66 113.58 2ch0 n ARG 80 Ca 0.62 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 57.29 2ch0 n ARG 80 Cb 0.30 -0.20 -0.02 0.00 -1.02 0.00 0.00 32.46 31.52 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 2.80 -0.09 1.55 1.01 -1.26 -4.94 120.40 119.46 2ch0 s VAL 81 Ca 0.00 0.68 -0.09 0.00 0.00 0.00 0.00 61.98 62.57 2ch0 s VAL 81 Cb 0.00 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 2ch0 s VAL 81 CO 0.00 0.11 0.20 -0.60 0.00 0.00 0.00 175.10 174.81 2ch0 s ARG 82 N -0.50 3.54 -0.23 2.72 3.00 -1.01 -4.90 118.95 121.58 2ch0 s ARG 82 Ca 0.57 -0.02 -0.14 0.00 -1.00 0.00 0.00 55.73 55.15 2ch0 s ARG 82 Cb -0.40 -3.19 -0.04 0.00 0.00 0.00 0.00 34.95 31.31 2ch0 s ARG 82 CO 0.43 0.76 0.30 0.99 0.00 0.00 0.00 175.30 177.78 2ch0 s THR 83 N -1.05 5.25 0.11 4.11 2.01 -1.26 -1.21 115.64 123.60 2ch0 s THR 83 Ca 0.17 0.49 0.07 0.00 0.31 0.00 0.00 61.69 62.73 2ch0 s THR 83 Cb -0.13 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 2ch0 s THR 83 CO 0.07 0.27 -0.17 -1.83 -0.69 0.00 0.00 174.62 172.26 2ch0 s GLU 84 N 1.35 1.05 -0.40 4.92 -1.05 -0.28 -4.93 118.70 119.36 2ch0 s GLU 84 Ca 0.14 -1.18 -0.16 0.00 -0.15 0.00 0.00 54.97 53.62 2ch0 s GLU 84 Cb -0.14 -1.12 0.01 0.00 -0.44 0.00 0.00 34.13 32.43 2ch0 s GLU 84 CO 0.07 0.24 0.40 0.99 0.95 0.00 0.00 175.26 177.91 2ch0 s THR 85 N -1.60 5.13 -0.05 1.83 2.01 -1.26 -1.02 115.64 120.69 2ch0 s THR 85 Ca 0.07 -0.27 -0.09 0.00 0.31 0.00 0.00 61.69 61.71 2ch0 s THR 85 Cb -0.08 -3.97 0.02 0.00 0.01 0.00 0.00 72.50 68.48 2ch0 s THR 85 CO 0.04 -0.32 0.22 -0.60 -0.69 0.00 0.00 174.62 173.27 2ch0 s ARG 86 N 2.05 0.40 -0.22 4.92 6.06 -0.95 -4.93 118.95 126.28 2ch0 s ARG 86 Ca 0.11 0.02 -0.23 0.00 -2.50 0.00 0.00 55.73 53.14 2ch0 s ARG 86 Cb -0.17 0.18 -0.01 0.00 0.06 0.00 0.00 34.95 35.01 2ch0 s ARG 86 CO 0.13 -0.08 0.75 0.50 -2.50 0.00 0.00 175.30 174.10 2ch0 s ARG 87 N -0.57 4.20 -0.07 5.12 3.52 -1.26 -2.28 118.95 127.62 2ch0 s ARG 87 Ca -0.07 0.82 -0.01 0.00 -0.13 0.00 0.00 55.73 56.35 2ch0 s ARG 87 Cb -0.04 -3.62 0.03 0.00 -1.56 0.00 0.00 34.95 29.76 2ch0 s ARG 87 CO 0.01 -0.40 -0.01 0.96 -0.81 0.00 0.00 175.30 175.06 2ch0 s ILE 88 N 2.42 0.42 -1.11 4.11 -0.00 0.69 -4.79 121.20 122.94 2ch0 s ILE 88 Ca 0.33 0.06 0.00 0.00 -0.00 0.00 0.00 60.65 61.04 2ch0 s ILE 88 Cb -0.16 -0.54 0.00 0.00 -0.00 0.00 0.00 42.46 41.76 2ch0 s ILE 88 CO 0.09 0.25 0.00 0.61 -0.00 0.00 0.00 174.94 175.89 2ch0 n GLY 89 N 4.86 1.02 1.35 6.27 0.00 -1.26 -2.51 105.19 114.93 2ch0 n GLY 89 Ca -0.12 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.56 0.63 2.83 -0.02 0.00 -1.26 -5.08 105.19 100.73 2ch0 n GLY 90 Ca -0.11 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 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 0.03 -0.24 4.61 0.00 -1.04 -5.09 121.76 118.03 2ch0 s ALA 91 Ca 0.00 0.14 -0.13 0.00 0.00 0.00 0.00 51.96 51.96 2ch0 s ALA 91 Cb 0.00 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 2ch0 s ALA 91 CO 0.00 -0.05 0.30 0.16 0.00 0.00 0.00 175.76 176.17 2ch0 s ASP 92 N 0.47 6.24 0.39 0.00 -4.77 -1.26 -0.23 116.67 117.52 2ch0 s ASP 92 Ca -0.04 0.27 0.04 0.00 -3.30 0.00 0.00 52.55 49.51 2ch0 s ASP 92 Cb -0.06 -2.18 -0.03 0.00 -1.09 0.00 0.00 42.92 39.57 2ch0 s ASP 92 CO -0.01 -0.06 0.12 -0.36 0.70 0.00 0.00 175.17 175.55 2ch0 s PHE 93 N 1.52 1.81 -0.43 2.11 0.08 -0.97 -4.86 117.98 117.23 2ch0 s PHE 93 Ca 0.13 -1.23 -0.20 0.00 0.12 0.00 0.00 56.93 55.75 2ch0 s PHE 93 Cb -0.15 -1.18 0.02 0.00 -0.57 0.00 0.00 43.02 41.15 2ch0 s PHE 93 CO 0.08 -0.24 0.60 -0.51 -0.10 0.00 0.00 175.22 175.05 2ch0 s LEU 94 N -3.59 4.57 0.08 -0.37 1.02 -1.26 -2.24 118.68 116.90 2ch0 s LEU 94 Ca 0.26 -0.40 0.08 0.00 0.02 0.00 0.00 54.13 54.08 2ch0 s LEU 94 Cb 0.04 -2.66 -0.04 0.00 0.02 0.00 0.00 46.19 43.55 2ch0 s LEU 94 CO 0.14 -0.73 -0.18 0.68 0.02 0.00 0.00 176.35 176.28 2ch0 s VAL 95 N 2.67 2.81 -0.19 -1.59 -7.23 -0.19 -4.41 120.40 112.28 2ch0 s VAL 95 Ca 0.20 -1.36 -0.09 0.00 -1.81 0.00 0.00 61.98 58.93 2ch0 s VAL 95 Cb -0.15 -2.24 -0.05 0.00 0.56 0.00 0.00 36.38 34.51 2ch0 s VAL 95 CO 0.18 0.21 0.10 0.26 -0.31 0.00 0.00 175.10 175.54 2ch0 s TRP 96 N -1.04 3.33 0.08 2.82 0.51 -0.69 -1.13 118.94 122.82 2ch0 s TRP 96 Ca 0.16 0.21 0.02 0.00 -2.12 0.00 0.00 56.10 54.37 2ch0 s TRP 96 Cb -0.11 -2.13 -0.04 0.00 -0.81 0.00 0.00 33.47 30.39 2ch0 s TRP 96 CO 0.08 0.22 -0.07 0.50 -0.51 0.00 0.00 176.95 177.17 2ch0 s ARG 97 N 0.39 0.75 0.04 4.98 3.00 -0.35 -1.43 118.95 126.32 2ch0 s ARG 97 Ca 0.06 -1.17 0.08 0.00 -1.00 0.00 0.00 55.73 53.71 2ch0 s ARG 97 Cb -0.12 -0.23 -0.03 0.00 0.00 0.00 0.00 34.95 34.57 2ch0 s ARG 97 CO -0.01 0.00 -0.24 -0.46 0.00 0.00 0.00 175.30 174.59 2ch0 s TRP 98 N -2.96 2.12 -0.28 5.12 -0.00 -0.99 -2.39 118.94 119.56 2ch0 s TRP 98 Ca 0.05 -0.40 0.02 0.00 -0.00 0.00 0.00 56.10 55.77 2ch0 s TRP 98 Cb 0.01 -1.28 0.08 0.00 -0.00 0.00 0.00 33.47 32.28 2ch0 s TRP 98 CO -0.03 0.10 -0.01 0.96 -0.00 0.00 0.00 176.95 177.97 2ch0 s ILE 99 N -0.77 1.67 -0.43 5.86 -4.36 -1.26 -4.76 121.20 117.14 2ch0 s ILE 99 Ca 0.10 -1.58 -0.06 0.00 -0.26 0.00 0.00 60.65 58.85 2ch0 s ILE 99 Cb -0.09 -2.05 0.11 0.00 1.25 0.00 0.00 42.46 41.68 2ch0 s ILE 99 CO 0.02 -0.32 0.26 -1.58 0.24 0.00 0.00 174.94 173.55 2ch0 s GLN 100 N 1.28 2.30 0.14 0.37 -0.44 -1.26 -5.07 119.66 116.97 2ch0 s GLN 100 Ca 0.01 -1.72 -0.31 0.00 -2.50 0.00 0.00 55.36 50.83 2ch0 s GLN 100 Cb -0.19 -3.74 -0.09 0.00 -1.64 0.00 0.00 33.01 27.36 2ch0 s GLN 100 CO -0.10 -1.09 1.46 -2.14 0.50 0.00 0.00 175.29 173.92 2ch0 s PRO 101 N 1.28 4.28 0.00 1.67 0.02 -1.26 -4.80 135.00 136.19 2ch0 s PRO 101 Ca 0.06 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.26 2ch0 s PRO 101 Cb -0.24 -3.21 0.00 0.00 0.02 0.00 0.00 34.50 31.07 2ch0 s PRO 101 CO -0.02 -0.50 0.00 0.45 -0.33 0.00 0.00 177.00 176.60 2ch0 n SER 102 N 3.92 0.00 -3.23 2.53 2.88 -1.26 -4.90 113.62 113.56 2ch0 n SER 102 Ca 0.12 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.42 2ch0 n SER 102 Cb 0.41 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.80 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 0.77 2.74 -0.70 -1.46 0.00 -1.25 -4.78 120.51 115.82 2ch0 n ALA 103 Ca 0.00 -3.67 0.00 0.00 0.00 0.00 0.00 53.44 49.77 2ch0 n ALA 103 Cb 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 1.19 0.00 0.01 0.00 7.64 -0.08 -4.81 113.62 117.57 2ch0 n SER 104 Ca 0.23 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.11 2ch0 n SER 104 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2ch0 n SER 104 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ch0 s ASP 106 N -2.29 5.29 -0.06 0.00 1.01 -1.26 -4.89 116.67 114.47 2ch0 s ASP 106 Ca 0.00 -3.72 0.02 0.00 0.71 0.00 0.00 52.55 49.56 2ch0 s ASP 106 Cb 0.00 -1.76 -0.25 0.00 1.01 0.00 0.00 42.92 41.92 2ch0 s ASP 106 CO 0.00 -0.14 0.62 0.50 0.21 0.00 0.00 175.17 176.36 2ch0 h LYS 107 N 5.77 0.16 0.00 8.23 3.64 -1.94 -3.49 116.57 128.93 2ch0 h LYS 107 Ca 0.13 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 2ch0 h LYS 107 Cb 0.79 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 2ch0 h LYS 107 CO 0.77 0.92 0.00 1.51 -2.27 0.00 0.00 179.45 180.38 2ch0 n ILE 108 N -3.31 0.00 -3.56 2.00 3.06 -1.26 -4.42 119.36 111.87 2ch0 n ILE 108 Ca -0.22 0.00 -0.01 0.00 -2.50 0.00 0.00 62.75 60.03 2ch0 n ILE 108 Cb 1.05 0.00 -0.06 0.00 0.54 0.00 0.00 39.64 41.17 2ch0 n ILE 108 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 2ch0 s LEU 109 N 0.00 -0.48 -0.75 9.51 2.96 -1.26 -5.13 118.68 123.53 2ch0 s LEU 109 Ca 0.00 0.73 -0.11 0.00 -0.22 0.00 0.00 54.13 54.52 2ch0 s LEU 109 Cb 0.00 1.65 0.20 0.00 0.50 0.00 0.00 46.19 48.53 2ch0 s LEU 109 CO 0.00 -0.11 0.66 0.54 -1.32 0.00 0.00 176.35 176.12 2ch0 s VAL 110 N 1.66 5.12 -0.45 1.68 0.11 -1.26 -5.03 120.40 122.23 2ch0 s VAL 110 Ca -0.07 -2.50 -0.15 0.00 -2.93 0.00 0.00 61.98 56.33 2ch0 s VAL 110 Cb -0.04 -4.20 0.06 0.00 -1.53 0.00 0.00 36.38 30.66 2ch0 s VAL 110 CO -0.15 -0.98 0.36 0.27 -3.33 0.00 0.00 175.10 171.27 2ch0 s ILE 111 N 0.24 5.22 -0.22 7.04 -5.25 -1.26 -5.02 121.20 121.96 2ch0 s ILE 111 Ca 0.16 -0.93 -0.06 0.00 -0.99 0.00 0.00 60.65 58.83 2ch0 s ILE 111 Cb -0.14 -4.05 -0.24 0.00 2.95 0.00 0.00 42.46 40.98 2ch0 s ILE 111 CO -0.07 -0.49 3.52 -0.81 -1.79 0.00 0.00 174.94 175.31 2ch0 n PRO 112 N 5.18 2.23 -3.55 0.37 -0.04 -1.26 -4.68 135.00 133.25 2ch0 n PRO 112 Ca -0.12 -1.19 -0.40 0.00 -0.04 0.00 0.00 63.50 61.75 2ch0 n PRO 112 Cb 0.45 -2.10 -0.06 0.00 -0.04 0.00 0.00 33.50 31.74 2ch0 n PRO 112 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2ch0 s SER 113 N 1.98 6.02 0.00 3.54 1.04 -1.26 -4.23 113.70 120.79 2ch0 s SER 113 Ca 0.67 -3.02 0.00 0.00 0.48 0.00 0.00 55.95 54.08 2ch0 s SER 113 Cb 0.30 -2.01 0.00 0.00 0.10 0.00 0.00 66.02 64.42 2ch0 s SER 113 CO -0.01 -0.39 0.00 1.17 0.98 0.00 0.00 173.24 174.98 2ch0 n LYS 114 N 3.37 0.00 -2.46 4.02 4.81 -1.26 -4.88 118.16 121.75 2ch0 n LYS 114 Ca 0.13 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.16 2ch0 n LYS 114 Cb 0.41 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.46 2ch0 n LYS 114 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 2ch0 n VAL 115 N 0.00 5.35 -1.39 3.15 0.24 -1.26 -4.97 118.33 119.45 2ch0 n VAL 115 Ca 0.00 -5.17 -0.29 0.00 -2.04 0.00 0.00 64.34 56.84 2ch0 n VAL 115 Cb 0.00 -1.98 -0.10 0.00 -1.47 0.00 0.00 33.84 30.30 2ch0 n VAL 115 CO 0.00 0.00 0.00 0.79 -2.14 0.00 0.00 176.83 175.48 2ch0 n TRP 116 N 1.54 1.31 0.00 6.34 8.01 -1.26 -4.39 117.44 128.98 2ch0 n TRP 116 Ca 0.46 -0.83 0.00 0.00 -1.31 0.00 0.00 57.50 55.82 2ch0 n TRP 116 Cb 0.29 -2.04 0.00 0.00 -2.01 0.00 0.00 31.31 27.55 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 7.97 0.00 -2.29 -0.99 6.02 -1.26 -4.55 117.38 122.28 2ch0 n GLN 117 Ca 0.45 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 57.42 2ch0 n GLN 117 Cb 0.45 -0.01 0.00 0.00 1.02 0.00 0.00 30.24 31.70 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 0.59 2.39 1.08 0.00 -1.26 -4.99 105.19 102.99 2ch0 n GLY 118 Ca 0.00 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 2ch0 n GLY 118 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ch0 n GLN 119 N -0.95 4.04 -0.60 1.61 1.13 -1.26 -4.84 117.38 116.50 2ch0 n GLN 119 Ca -0.01 -2.76 0.00 0.00 -1.94 0.00 0.00 57.00 52.29 2ch0 n GLN 119 Cb 0.51 -2.67 0.00 0.00 0.11 0.00 0.00 30.24 28.18 2ch0 n GLN 119 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2ch0 n ALA 120 N 2.58 0.00 -3.54 -1.58 0.00 -1.26 -5.16 120.51 111.56 2ch0 n ALA 120 Ca 0.69 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 54.08 2ch0 n ALA 120 Cb 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.71 2ch0 n ALA 120 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2ch0 n PHE 121 N 0.00 -1.30 -3.61 0.00 -1.74 -1.26 -5.13 117.46 104.41 2ch0 n PHE 121 Ca 0.00 -1.23 -0.06 0.00 -0.56 0.00 0.00 57.45 55.60 2ch0 n PHE 121 Cb 0.00 0.39 -0.00 0.00 1.52 0.00 0.00 39.48 41.39 2ch0 n PHE 121 CO 0.00 0.00 0.00 1.58 -0.56 0.00 0.00 176.76 177.78 2ch0 n HIS 122 N -0.32 -1.26 -3.56 2.97 -0.00 -1.26 -5.20 115.22 106.59 2ch0 n HIS 122 Ca -0.02 -1.03 0.00 0.00 0.46 0.00 0.00 57.72 57.13 2ch0 n HIS 122 Cb 0.34 0.35 0.00 0.00 -0.12 0.00 0.00 29.99 30.55 2ch0 n HIS 122 CO 0.00 0.00 0.00 1.47 0.46 0.00 0.00 176.34 178.27 2ch0 n LEU 123 N 0.00 0.00 -4.15 0.27 -0.00 -1.26 -5.19 117.00 106.67 2ch0 n LEU 123 Ca -0.02 0.00 -0.16 0.00 -0.00 0.00 0.00 56.01 55.83 2ch0 n LEU 123 Cb 0.28 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.59 2ch0 n LEU 123 CO 0.14 0.00 -0.43 -1.81 -0.00 0.00 0.00 177.39 175.29 2ch0 s ASP 124 N -0.81 1.43 -1.46 1.45 1.01 -1.26 -5.08 116.67 111.96 2ch0 s ASP 124 Ca 0.00 -0.66 -0.09 0.00 0.71 0.00 0.00 52.55 52.50 2ch0 s ASP 124 Cb 0.00 -0.01 0.04 0.00 1.01 0.00 0.00 42.92 43.95 2ch0 s ASP 124 CO 0.00 -0.16 2.49 -1.14 0.21 0.00 0.00 175.17 176.56 2ch0 n ARG 125 N 1.09 3.77 -1.08 8.23 0.63 -1.26 -4.89 116.66 123.15 2ch0 n ARG 125 Ca -0.20 -2.84 -0.32 0.00 -0.92 0.00 0.00 57.85 53.57 2ch0 n ARG 125 Cb 0.55 -2.87 -0.02 0.00 0.45 0.00 0.00 32.46 30.57 2ch0 n ARG 125 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2ch0 n ARG 126 N 3.60 2.85 -1.28 -0.14 1.74 -1.26 -4.83 116.66 117.35 2ch0 n ARG 126 Ca 0.63 -1.89 -0.25 0.00 -0.77 0.00 0.00 57.85 55.57 2ch0 n ARG 126 Cb 0.29 -2.69 -0.10 0.00 -1.02 0.00 0.00 32.46 28.94 2ch0 n ARG 126 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2ch0 n LEU 127 N 4.21 6.69 -0.49 0.55 7.94 -1.26 -4.23 117.00 130.40 2ch0 n LEU 127 Ca 0.61 -3.83 0.09 0.00 -1.11 0.00 0.00 56.01 51.76 2ch0 n LEU 127 Cb 0.21 -1.42 0.02 0.00 0.53 0.00 0.00 43.42 42.76 2ch0 n LEU 127 CO 0.80 1.84 0.35 1.21 -1.11 0.00 0.00 177.39 180.49 2ch0 n GLU 128 N 2.40 1.58 -4.89 1.96 2.13 -1.26 -4.91 120.64 117.65 2ch0 n GLU 128 Ca 0.56 -1.07 -0.33 0.00 0.66 0.00 0.00 57.16 56.98 2ch0 n GLU 128 Cb 0.60 -1.32 -0.15 0.00 0.27 0.00 0.00 31.44 30.85 2ch0 n GLU 128 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2ch0 s ARG 129 N -1.84 3.17 -1.27 5.31 3.52 -1.26 -5.06 118.95 121.51 2ch0 s ARG 129 Ca 0.16 -0.73 -0.16 0.00 -0.13 0.00 0.00 55.73 54.88 2ch0 s ARG 129 Cb 0.14 -2.52 -0.02 0.00 -1.56 0.00 0.00 34.95 30.99 2ch0 s ARG 129 CO 0.37 0.27 2.17 -0.35 -0.81 0.00 0.00 175.30 176.96 2ch0 n PRO 130 N 3.33 2.51 0.06 5.12 -0.04 -1.26 -4.55 135.00 140.17 2ch0 n PRO 130 Ca -0.18 -2.37 0.01 0.00 -0.04 0.00 0.00 63.50 60.93 2ch0 n PRO 130 Cb 0.53 -3.16 -0.05 0.00 -0.04 0.00 0.00 33.50 30.78 2ch0 n PRO 130 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 2ch0 h HIS 131 N 6.47 0.00 0.00 0.54 2.07 -1.97 -3.48 115.15 118.78 2ch0 h HIS 131 Ca 0.54 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.06 2ch0 h HIS 131 Cb 0.63 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.61 2ch0 h HIS 131 CO 1.43 0.52 0.00 -2.13 -3.07 0.00 0.00 177.93 174.67 2ch0 n ARG 132 N -2.96 0.00 0.00 5.12 3.00 -1.26 -5.28 116.66 115.28 2ch0 n ARG 132 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 2ch0 n ARG 132 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.25 2ch0 n ARG 132 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23