#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 -0.15 0.78 1.61 0.01 -1.26 -5.19 113.70 109.50 2ch0 s SER 2 Ca 0.00 0.05 -0.11 0.00 1.31 0.00 0.00 55.95 57.20 2ch0 s SER 2 Cb 0.00 0.15 0.07 0.00 0.21 0.00 0.00 66.02 66.45 2ch0 s SER 2 CO 0.00 -0.23 1.14 -2.84 0.41 0.00 0.00 173.24 171.72 2ch0 s PRO 3 N -2.08 2.06 -0.08 12.44 0.02 -1.26 -5.04 135.00 141.06 2ch0 s PRO 3 Ca 0.08 0.05 -0.02 0.00 0.02 0.00 0.00 61.00 61.13 2ch0 s PRO 3 Cb -0.01 -2.00 -0.26 0.00 0.02 0.00 0.00 34.50 32.25 2ch0 s PRO 3 CO -0.05 -1.49 0.54 0.93 -0.33 0.00 0.00 177.00 176.60 2ch0 h GLU 4 N -0.94 0.21 -2.18 5.54 5.08 -2.09 -3.49 114.58 116.70 2ch0 h GLU 4 Ca -0.46 -0.35 -0.08 0.00 -1.00 0.00 0.00 59.36 57.47 2ch0 h GLU 4 Cb 1.32 0.13 0.03 0.00 0.50 0.00 0.00 28.75 30.73 2ch0 h GLU 4 CO 0.65 1.02 -0.15 0.34 -1.00 0.00 0.00 179.01 179.87 2ch0 n PHE 5 N -3.37 -0.59 -2.78 4.33 7.35 -1.26 -5.01 117.46 116.13 2ch0 n PHE 5 Ca -0.25 0.21 -0.43 0.00 -0.76 0.00 0.00 57.45 56.22 2ch0 n PHE 5 Cb 1.05 -2.02 0.01 0.00 0.35 0.00 0.00 39.48 38.86 2ch0 n PHE 5 CO 0.00 0.00 0.00 2.89 -0.76 0.00 0.00 176.76 178.89 2ch0 n ARG 6 N -1.50 4.04 0.00 -4.13 1.85 -1.26 -4.78 116.66 110.88 2ch0 n ARG 6 Ca -0.01 -4.14 0.00 0.00 -1.00 0.00 0.00 57.85 52.70 2ch0 n ARG 6 Cb 0.52 -2.69 0.00 0.00 -1.05 0.00 0.00 32.46 29.23 2ch0 n ARG 6 CO 0.00 0.00 0.00 -2.67 -0.01 0.00 0.00 177.63 174.95 2ch0 n TRP 7 N 2.58 0.00 -0.13 2.89 4.27 -1.26 -5.07 117.44 120.72 2ch0 n TRP 7 Ca 0.31 0.00 -0.21 0.00 -3.89 0.00 0.00 57.50 53.71 2ch0 n TRP 7 Cb 0.35 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 30.19 2ch0 n TRP 7 CO 0.00 0.00 0.00 -2.37 -2.29 0.00 0.00 177.69 173.03 2ch0 n THR 8 N 0.00 1.50 0.17 -1.67 5.66 -1.26 -4.71 114.28 113.97 2ch0 n THR 8 Ca 0.00 -0.52 0.02 0.00 -3.05 0.00 0.00 64.05 60.50 2ch0 n THR 8 Cb 0.00 -1.55 0.28 0.00 -1.55 0.00 0.00 70.33 67.51 2ch0 n THR 8 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2ch0 h LYS 9 N -0.28 0.00 0.00 1.09 1.57 -1.97 -3.31 116.57 113.66 2ch0 h LYS 9 Ca -0.61 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.17 2ch0 h LYS 9 Cb 1.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.13 2ch0 h LYS 9 CO -0.18 0.47 0.17 1.49 -0.57 0.00 0.00 179.45 180.83 2ch0 h GLU 10 N 0.00 0.00 0.00 3.15 4.81 -1.86 0.13 114.58 120.81 2ch0 h GLU 10 Ca -0.00 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.05 2ch0 h GLU 10 Cb 0.92 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.28 2ch0 h GLU 10 CO 0.06 0.00 -0.84 0.93 -0.73 0.00 0.00 179.01 178.43 2ch0 h GLU 11 N 0.00 0.00 -0.24 1.92 3.07 -1.90 -3.35 114.58 114.08 2ch0 h GLU 11 Ca 0.00 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.68 2ch0 h GLU 11 Cb 0.34 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.25 2ch0 h GLU 11 CO 0.00 0.84 -0.58 0.93 -1.40 0.00 0.00 179.01 178.80 2ch0 h GLU 12 N 0.00 0.78 -0.39 2.33 5.08 -0.94 -3.18 114.58 118.26 2ch0 h GLU 12 Ca -0.01 -0.51 0.03 0.00 -1.00 0.00 0.00 59.36 57.87 2ch0 h GLU 12 Cb 1.58 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.87 2ch0 h GLU 12 CO 0.11 1.14 0.20 1.49 -1.00 0.00 0.00 179.01 180.94 2ch0 h GLU 13 N 0.59 0.39 0.00 2.33 4.57 -1.69 -3.09 114.58 117.68 2ch0 h GLU 13 Ca 0.00 -0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.07 2ch0 h GLU 13 Cb 1.18 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.67 2ch0 h GLU 13 CO 0.12 0.26 -0.43 0.00 -1.18 0.00 0.00 179.01 177.78 2ch0 h THR 14 N 0.40 1.20 -3.33 0.32 1.03 -1.70 -3.44 112.91 107.40 2ch0 h THR 14 Ca 0.16 -1.51 -0.56 0.00 -0.01 0.00 0.00 66.41 64.49 2ch0 h THR 14 Cb 0.06 1.84 -0.05 0.00 -1.07 0.00 0.00 68.15 68.94 2ch0 h THR 14 CO -0.11 0.42 0.03 -0.60 -0.01 0.00 0.00 175.52 175.25 2ch0 s ARG 15 N -3.92 4.34 0.00 0.00 6.06 -1.17 -3.96 118.95 120.31 2ch0 s ARG 15 Ca -0.02 0.84 0.00 0.00 -2.50 0.00 0.00 55.73 54.05 2ch0 s ARG 15 Cb 0.13 -3.31 0.00 0.00 0.06 0.00 0.00 34.95 31.84 2ch0 s ARG 15 CO 0.72 0.46 0.00 0.94 -2.50 0.00 0.00 175.30 174.92 2ch0 n GLN 16 N 2.31 0.00 -0.06 5.12 -0.06 -1.26 -4.90 117.38 118.52 2ch0 n GLN 16 Ca -0.07 0.00 -0.03 0.00 -2.00 0.00 0.00 57.00 54.90 2ch0 n GLN 16 Cb 0.51 0.00 0.19 0.00 -4.06 0.00 0.00 30.24 26.88 2ch0 n GLN 16 CO 0.00 0.00 0.00 1.98 -0.20 0.00 0.00 177.06 178.84 2ch0 h MET 17 N 0.00 0.68 0.00 3.69 4.05 -1.84 -3.36 114.93 118.15 2ch0 h MET 17 Ca 0.00 -0.19 0.00 0.00 -0.28 0.00 0.00 59.70 59.23 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 0.73 0.30 1.88 0.23 0.00 0.00 176.91 180.05 2ch0 h TYR 18 N 0.63 0.00 0.00 1.39 0.05 -1.91 -1.43 116.97 115.70 2ch0 h TYR 18 Ca 0.12 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.90 2ch0 h TYR 18 Cb 0.47 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.21 2ch0 h TYR 18 CO 0.02 0.00 -0.53 -0.40 -1.05 0.00 0.00 178.16 176.20 2ch0 n ASP 19 N -2.47 1.23 -0.01 3.88 5.75 -1.26 -4.61 116.55 119.06 2ch0 n ASP 19 Ca -0.01 0.20 0.15 0.00 -0.01 0.00 0.00 54.79 55.12 2ch0 n ASP 19 Cb 0.33 -0.56 0.60 0.00 -1.03 0.00 0.00 41.12 40.45 2ch0 n ASP 19 CO 0.00 0.00 0.00 -0.03 -0.11 0.00 0.00 177.20 177.06 2ch0 h MET 20 N -0.53 0.19 -0.01 0.11 -1.53 -1.70 -1.90 114.93 109.55 2ch0 h MET 20 Ca 0.00 -0.01 -0.17 0.00 -3.44 0.00 0.00 59.70 56.08 2ch0 h MET 20 Cb 0.53 -0.04 -0.02 0.00 -0.55 0.00 0.00 31.60 31.52 2ch0 h MET 20 CO 0.00 0.12 -0.77 -0.39 0.14 0.00 0.00 176.91 176.01 2ch0 h VAL 21 N 0.19 1.49 -0.86 -5.77 -1.51 -1.57 -3.37 116.25 104.85 2ch0 h VAL 21 Ca 0.24 -2.48 0.18 0.00 -1.23 0.00 0.00 66.70 63.41 2ch0 h VAL 21 Cb 0.70 2.34 -0.06 0.00 -2.13 0.00 0.00 31.29 32.14 2ch0 h VAL 21 CO -0.04 0.72 0.56 0.58 -1.23 0.00 0.00 177.57 178.16 2ch0 h VAL 22 N 0.07 0.74 0.00 7.19 2.07 -1.56 0.22 116.25 124.99 2ch0 h VAL 22 Ca -0.02 -0.16 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 2ch0 h VAL 22 Cb 1.35 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2ch0 h VAL 22 CO 0.11 0.08 -0.32 0.07 0.02 0.00 0.00 177.57 177.54 2ch0 h LYS 23 N 0.45 0.00 0.03 1.57 2.10 -1.73 -3.34 116.57 115.65 2ch0 h LYS 23 Ca 0.44 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.81 2ch0 h LYS 23 Cb 1.00 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.36 2ch0 h LYS 23 CO -0.16 0.32 -1.09 0.82 -2.00 0.00 0.00 179.45 177.33 2ch0 h ILE 24 N 0.00 1.28 -0.69 0.07 2.04 -0.80 -3.36 117.51 116.06 2ch0 h ILE 24 Ca -0.00 -2.31 0.20 0.00 1.00 0.00 0.00 64.86 63.75 2ch0 h ILE 24 Cb 0.97 2.45 -0.03 0.00 -0.74 0.00 0.00 36.82 39.48 2ch0 h ILE 24 CO 0.04 0.71 0.50 0.16 0.00 0.00 0.00 178.15 179.56 2ch0 h ILE 25 N 0.36 0.64 -0.18 -0.67 3.07 -1.23 0.16 117.51 119.66 2ch0 h ILE 25 Ca -0.14 0.00 0.01 0.00 1.55 0.00 0.00 64.86 66.27 2ch0 h ILE 25 Cb 1.74 0.65 -0.01 0.00 -0.27 0.00 0.00 36.82 38.93 2ch0 h ILE 25 CO 0.21 0.00 0.12 0.44 -1.05 0.00 0.00 178.15 177.87 2ch0 h ASP 26 N 0.00 0.19 0.15 2.16 3.32 -1.76 -1.88 116.42 118.60 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 1.33 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.84 2ch0 h ASP 26 CO -0.00 0.13 -0.07 -0.37 -1.72 0.00 0.00 179.24 177.21 2ch0 h VAL 27 N 0.22 1.00 0.13 -1.35 -1.51 -0.90 -3.13 116.25 110.71 2ch0 h VAL 27 Ca 0.07 -0.83 -0.01 0.00 -1.23 0.00 0.00 66.70 64.70 2ch0 h VAL 27 Cb 0.00 1.49 0.00 0.00 -2.13 0.00 0.00 31.29 30.65 2ch0 h VAL 27 CO -0.01 0.19 -0.06 -0.07 -1.23 0.00 0.00 177.57 176.38 2ch0 h LEU 28 N -0.62 -0.15 -2.01 4.19 4.07 -1.65 -3.25 115.31 115.89 2ch0 h LEU 28 Ca -0.02 -0.25 0.16 0.00 0.08 0.00 0.00 57.88 57.84 2ch0 h LEU 28 Cb 0.46 0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.22 2ch0 h LEU 28 CO 0.03 0.18 0.42 -0.09 -1.08 0.00 0.00 178.44 177.91 2ch0 h ARG 29 N -0.50 0.00 0.03 1.13 2.43 -1.48 0.57 114.38 116.56 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 0.40 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2ch0 h ARG 29 CO 0.03 0.00 -0.02 1.03 -1.51 0.00 0.00 179.97 179.51 2ch0 h SER 30 N 0.00 -0.04 0.41 -3.80 0.87 -1.62 0.08 113.55 109.45 2ch0 h SER 30 Ca 0.26 -0.67 -0.11 0.00 -1.23 0.00 0.00 61.79 60.03 2ch0 h SER 30 Cb 1.10 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 2ch0 h SER 30 CO -0.00 0.71 -0.50 1.12 -0.53 0.00 0.00 176.83 177.63 2ch0 h HIS 31 N -0.84 0.13 -0.45 2.24 2.07 -1.57 -3.23 115.15 113.50 2ch0 h HIS 31 Ca -0.00 -0.04 -0.05 0.00 -2.85 0.00 0.00 60.37 57.43 2ch0 h HIS 31 Cb 0.71 -0.03 -0.02 0.00 2.57 0.00 0.00 27.41 30.64 2ch0 h HIS 31 CO 0.18 0.59 0.09 -0.91 -3.07 0.00 0.00 177.93 174.81 2ch0 h ASN 32 N 0.09 0.69 -0.23 3.10 2.35 -0.86 0.95 115.58 121.67 2ch0 h ASN 32 Ca 0.00 -0.25 -0.10 0.00 -0.55 0.00 0.00 56.30 55.41 2ch0 h ASN 32 Cb 0.92 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 39.09 2ch0 h ASN 32 CO 0.07 0.76 -0.19 1.05 -1.65 0.00 0.00 177.43 177.47 2ch0 h GLU 33 N 0.60 0.67 0.00 0.81 4.11 -1.05 -2.62 114.58 117.10 2ch0 h GLU 33 Ca 0.14 -0.24 -0.11 0.00 0.07 0.00 0.00 59.36 59.22 2ch0 h GLU 33 Cb 0.35 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2ch0 h GLU 33 CO 0.00 0.82 -0.51 0.00 0.07 0.00 0.00 179.01 179.39 2ch0 h ALA 34 N 1.20 0.87 0.01 1.06 0.00 -1.63 -3.38 119.26 117.40 2ch0 h ALA 34 Ca 0.09 -0.47 -0.19 0.00 0.00 0.00 0.00 54.91 54.34 2ch0 h ALA 34 Cb 0.65 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2ch0 h ALA 34 CO 0.05 0.64 -0.92 0.00 0.00 0.00 0.00 179.25 179.02 2ch0 n GLN 36 N -3.49 0.05 -0.05 0.00 -0.00 -1.11 -2.73 117.38 110.05 2ch0 n GLN 36 Ca -0.01 0.51 -0.09 0.00 -0.00 0.00 0.00 57.00 57.40 2ch0 n GLN 36 Cb 0.86 -1.65 -0.04 0.00 -0.00 0.00 0.00 30.24 29.41 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 -1.75 0.22 -3.81 2.61 4.07 -1.19 -4.63 120.64 116.16 2ch0 n GLU 37 Ca 0.00 0.08 -0.37 0.00 -0.06 0.00 0.00 57.16 56.82 2ch0 n GLU 37 Cb 0.04 -0.97 -0.13 0.00 -0.06 0.00 0.00 31.44 30.32 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 -5.57 5.09 0.14 4.31 3.84 -0.22 -4.87 114.94 117.66 2ch0 s ASN 38 Ca -0.14 -1.10 -0.02 0.00 0.21 0.00 0.00 52.86 51.82 2ch0 s ASN 38 Cb 0.05 -1.81 0.28 0.00 -0.55 0.00 0.00 41.25 39.22 2ch0 s ASN 38 CO 0.19 -0.27 0.74 2.29 -2.79 0.00 0.00 177.10 177.26 2ch0 n LYS 39 N 4.75 -0.04 -3.14 0.43 -0.00 -1.24 -2.46 118.16 116.46 2ch0 n LYS 39 Ca -0.13 0.73 -0.10 0.00 -0.00 0.00 0.00 58.31 58.81 2ch0 n LYS 39 Cb 0.45 -1.12 -0.04 0.00 -0.00 0.00 0.00 35.03 34.32 2ch0 n LYS 39 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 2ch0 s ASP 40 N -5.07 -0.28 0.66 -5.58 1.47 -1.26 -2.52 116.67 104.09 2ch0 s ASP 40 Ca -0.07 -1.69 0.43 0.00 1.18 0.00 0.00 52.55 52.41 2ch0 s ASP 40 Cb 0.13 1.17 2.33 0.00 -0.34 0.00 0.00 42.92 46.21 2ch0 s ASP 40 CO 0.37 -0.16 2.34 0.17 0.68 0.00 0.00 175.17 178.57 2ch0 h LEU 41 N 6.15 0.00 -4.00 2.11 -0.00 -1.75 -2.78 115.31 115.04 2ch0 h LEU 41 Ca 0.09 0.00 -0.63 0.00 -0.00 0.00 0.00 57.88 57.34 2ch0 h LEU 41 Cb 1.08 0.00 -0.30 0.00 -0.00 0.00 0.00 40.66 41.44 2ch0 h LEU 41 CO 0.14 0.00 0.81 1.67 -0.00 0.00 0.00 178.44 181.06 2ch0 n GLN 42 N -3.11 2.56 -0.02 0.17 -0.06 -1.26 -4.99 117.38 110.68 2ch0 n GLN 42 Ca -0.03 -3.21 0.23 0.00 -2.00 0.00 0.00 57.00 51.99 2ch0 n GLN 42 Cb 0.09 -2.26 0.63 0.00 -4.06 0.00 0.00 30.24 24.65 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 1.71 0.00 -2.54 3.69 0.13 -1.77 -3.30 132.00 129.91 2ch0 h PRO 43 Ca 0.62 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.73 2ch0 h PRO 43 Cb 1.42 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.40 2ch0 h PRO 43 CO 1.45 0.00 0.24 0.71 -0.23 0.00 0.00 178.00 180.17 2ch0 s TYR 44 N -4.53 -0.56 -0.01 1.56 2.02 -1.26 -4.72 117.35 109.84 2ch0 s TYR 44 Ca -0.04 0.61 -0.24 0.00 -0.37 0.00 0.00 57.07 57.04 2ch0 s TYR 44 Cb 0.15 0.50 0.05 0.00 -0.40 0.00 0.00 41.96 42.26 2ch0 s TYR 44 CO 0.51 -0.72 0.52 0.00 -1.57 0.00 0.00 175.55 174.29 2ch0 s MET 45 N -2.71 0.93 1.04 -0.62 0.23 -0.24 -4.95 119.30 112.97 2ch0 s MET 45 Ca -0.03 -0.01 -0.17 0.00 -1.03 0.00 0.00 55.69 54.45 2ch0 s MET 45 Cb -0.01 0.43 0.23 0.00 -1.53 0.00 0.00 34.83 33.95 2ch0 s MET 45 CO -0.04 -0.30 1.26 -1.25 -2.03 0.00 0.00 175.02 172.67 2ch0 s PRO 46 N -1.56 0.04 0.05 3.16 0.04 -1.26 -1.64 135.00 133.83 2ch0 s PRO 46 Ca -0.10 -0.32 -0.25 0.00 0.04 0.00 0.00 61.00 60.36 2ch0 s PRO 46 Cb -0.02 -1.77 -0.17 0.00 0.04 0.00 0.00 34.50 32.59 2ch0 s PRO 46 CO 0.05 -2.83 1.55 0.82 0.04 0.00 0.00 177.00 176.63 2ch0 h ILE 47 N -1.94 1.03 0.00 0.56 2.04 -1.94 -2.95 117.51 114.31 2ch0 h ILE 47 Ca -0.44 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.04 2ch0 h ILE 47 Cb 1.25 1.27 0.00 0.00 -0.74 0.00 0.00 36.82 38.60 2ch0 h ILE 47 CO 0.36 0.09 0.39 1.55 0.00 0.00 0.00 178.15 180.55 2ch0 h PRO 48 N -0.28 0.00 -0.28 2.37 0.14 -1.95 -0.03 132.00 131.97 2ch0 h PRO 48 Ca -0.01 0.00 0.03 0.00 0.14 0.00 0.00 66.00 66.15 2ch0 h PRO 48 Cb 0.23 0.00 -0.03 0.00 0.14 0.00 0.00 31.00 31.35 2ch0 h PRO 48 CO 0.02 0.00 0.12 1.25 0.14 0.00 0.00 178.00 179.52 2ch0 h HIS 49 N 0.00 0.21 0.03 1.56 -0.00 -1.88 0.92 115.15 115.99 2ch0 h HIS 49 Ca 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.38 2ch0 h HIS 49 Cb 0.79 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 28.14 2ch0 h HIS 49 CO 0.00 0.11 -0.01 -0.24 -0.00 0.00 0.00 177.93 177.78 2ch0 h VAL 50 N 0.25 1.38 0.00 5.26 3.04 -1.77 -3.36 116.25 121.05 2ch0 h VAL 50 Ca 0.12 -1.74 -0.01 0.00 -1.01 0.00 0.00 66.70 64.06 2ch0 h VAL 50 Cb 0.07 2.47 -0.00 0.00 -2.01 0.00 0.00 31.29 31.82 2ch0 h VAL 50 CO -0.11 0.42 -0.03 -0.09 -1.01 0.00 0.00 177.57 176.75 2ch0 h ARG 51 N -0.86 0.00 0.00 4.17 2.43 -0.98 -2.87 114.38 116.27 2ch0 h ARG 51 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2ch0 h ARG 51 Cb 0.71 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 2ch0 h ARG 51 CO 0.01 0.03 0.00 -0.25 -1.51 0.00 0.00 179.97 178.25 2ch0 n ASP 52 N -3.12 0.68 0.11 -3.80 8.00 0.32 -4.41 116.55 114.33 2ch0 n ASP 52 Ca 0.02 0.58 0.12 0.00 0.71 0.00 0.00 54.79 56.22 2ch0 n ASP 52 Cb 0.39 -0.76 0.20 0.00 -0.02 0.00 0.00 41.12 40.94 2ch0 n ASP 52 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 2ch0 h SER 53 N 0.00 0.00 0.59 -2.24 0.87 -1.65 -3.38 113.55 107.74 2ch0 h SER 53 Ca 0.00 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 2ch0 h SER 53 Cb 0.63 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 2ch0 h SER 53 CO 0.00 0.04 0.00 0.17 -0.53 0.00 0.00 176.83 176.51 2ch0 h LEU 54 N 0.00 0.00 -7.55 2.23 -0.00 -1.79 -3.42 115.31 104.78 2ch0 h LEU 54 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.79 2ch0 h LEU 54 Cb 0.84 0.00 -0.16 0.00 -0.00 0.00 0.00 40.66 41.34 2ch0 h LEU 54 CO 0.00 0.00 -0.23 -0.63 -0.00 0.00 0.00 178.44 177.58 2ch0 s ILE 55 N -3.51 0.09 -0.18 0.15 -1.09 -1.26 -4.96 121.20 110.43 2ch0 s ILE 55 Ca 0.01 -0.71 -0.16 0.00 -2.23 0.00 0.00 60.65 57.57 2ch0 s ILE 55 Cb 0.09 -1.02 -0.21 0.00 -1.58 0.00 0.00 42.46 39.74 2ch0 s ILE 55 CO 0.39 -0.39 0.25 0.00 -1.23 0.00 0.00 174.94 173.96 2ch0 n GLN 56 N 0.38 0.64 0.00 2.79 6.02 -1.26 -4.59 117.38 121.36 2ch0 n GLN 56 Ca -0.18 0.45 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 2ch0 n GLN 56 Cb 0.60 -1.72 0.00 0.00 1.02 0.00 0.00 30.24 30.14 2ch0 n GLN 56 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 2ch0 n PRO 57 N -4.08 2.71 0.26 -1.09 -0.04 -1.26 -4.77 135.00 126.74 2ch0 n PRO 57 Ca -0.33 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.23 2ch0 n PRO 57 Cb 0.82 0.00 0.70 0.00 -0.04 0.00 0.00 33.50 34.98 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 -0.14 0.54 -0.00 -2.04 -2.75 115.15 110.76 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 0.06 0.00 -0.25 -0.00 0.00 0.00 177.93 177.74 2ch0 n ASP 59 N -4.14 1.59 -0.28 3.26 8.00 -1.26 -4.59 116.55 119.12 2ch0 n ASP 59 Ca -0.03 -1.67 0.10 0.00 0.71 0.00 0.00 54.79 53.90 2ch0 n ASP 59 Cb 0.15 -0.09 0.23 0.00 -0.02 0.00 0.00 41.12 41.40 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 2.16 0.16 0.00 -1.24 -0.00 -1.74 -0.51 114.38 113.21 2ch0 h ARG 60 Ca 0.00 -0.01 -0.06 0.00 -0.00 0.00 0.00 59.98 59.91 2ch0 h ARG 60 Cb 0.47 -0.04 -0.01 0.00 -0.00 0.00 0.00 29.97 30.40 2ch0 h ARG 60 CO 0.00 0.10 -0.28 -0.22 -0.00 0.00 0.00 179.97 179.57 2ch0 h LYS 61 N 0.16 0.00 0.00 0.08 3.11 -1.87 -3.36 116.57 114.69 2ch0 h LYS 61 Ca 0.50 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.34 2ch0 h LYS 61 Cb 0.95 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.18 2ch0 h LYS 61 CO -0.67 0.28 0.33 -0.22 -2.81 0.00 0.00 179.45 176.36 2ch0 h LYS 62 N 0.00 0.00 -0.07 1.90 3.64 -1.41 0.40 116.57 121.02 2ch0 h LYS 62 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2ch0 h LYS 62 Cb 0.74 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.56 2ch0 h LYS 62 CO 0.04 0.00 0.00 -1.33 -2.27 0.00 0.00 179.45 175.89 2ch0 n MET 63 N -2.83 0.96 -0.01 1.90 2.81 -1.26 -4.55 117.12 114.14 2ch0 n MET 63 Ca -0.02 -1.21 -0.12 0.00 -1.81 0.00 0.00 57.70 54.55 2ch0 n MET 63 Cb 0.37 -1.13 0.01 0.00 -0.71 0.00 0.00 33.22 31.76 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 1.19 0.64 -0.66 0.03 3.64 -1.08 -2.28 116.57 118.05 2ch0 h LYS 64 Ca 0.00 -0.43 -0.05 0.00 -1.27 0.00 0.00 60.65 58.90 2ch0 h LYS 64 Cb 0.39 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 2ch0 h LYS 64 CO 0.00 1.05 0.22 0.87 -2.27 0.00 0.00 179.45 179.32 2ch0 h LYS 65 N 0.48 1.02 -0.02 1.90 1.79 -1.78 -2.99 116.57 116.97 2ch0 h LYS 65 Ca -0.00 -0.21 -0.14 0.00 -2.18 0.00 0.00 60.65 58.11 2ch0 h LYS 65 Cb 1.18 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 31.66 2ch0 h LYS 65 CO 0.12 0.88 -0.66 -0.24 -1.08 0.00 0.00 179.45 178.47 2ch0 h VAL 66 N 0.95 1.45 -0.92 0.50 3.04 -1.82 -3.27 116.25 116.19 2ch0 h VAL 66 Ca 0.22 -2.21 0.21 0.00 -1.01 0.00 0.00 66.70 63.90 2ch0 h VAL 66 Cb 0.27 2.18 -0.07 0.00 -2.01 0.00 0.00 31.29 31.67 2ch0 h VAL 66 CO -0.01 0.64 0.60 -0.25 -1.01 0.00 0.00 177.57 177.54 2ch0 h TRP 67 N 0.05 0.57 -0.94 3.17 2.91 -1.25 0.64 115.95 121.10 2ch0 h TRP 67 Ca -0.01 0.02 0.05 0.00 1.13 0.00 0.00 58.89 60.08 2ch0 h TRP 67 Cb 1.17 -0.17 -0.06 0.00 -0.51 0.00 0.00 29.16 29.59 2ch0 h TRP 67 CO 0.01 0.15 0.62 0.22 -1.03 0.00 0.00 178.44 178.40 2ch0 h ASP 68 N 0.43 0.99 0.03 2.65 3.58 -1.61 0.42 116.42 122.90 2ch0 h ASP 68 Ca 0.48 -0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.77 2ch0 h ASP 68 Cb 1.18 -0.21 0.01 0.00 1.72 0.00 0.00 39.33 42.03 2ch0 h ASP 68 CO -0.19 0.65 -0.65 -0.09 -2.88 0.00 0.00 179.24 176.08 2ch0 h ARG 69 N 1.13 0.39 -0.16 0.28 1.12 -1.51 -3.36 114.38 112.28 2ch0 h ARG 69 Ca 0.39 -0.46 -0.07 0.00 -1.11 0.00 0.00 59.98 58.74 2ch0 h ARG 69 Cb 0.11 0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 30.20 2ch0 h ARG 69 CO -0.14 1.13 -0.21 0.00 -3.11 0.00 0.00 179.97 177.64 2ch0 h ALA 70 N 0.28 1.36 -0.85 2.80 0.00 -0.64 -2.88 119.26 119.33 2ch0 h ALA 70 Ca -0.09 -0.27 0.15 0.00 0.00 0.00 0.00 54.91 54.70 2ch0 h ALA 70 Cb 1.38 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.98 2ch0 h ALA 70 CO 0.13 0.44 0.42 0.28 0.00 0.00 0.00 179.25 180.52 2ch0 h VAL 71 N 0.25 0.70 -0.16 0.00 2.07 -0.32 -0.12 116.25 118.67 2ch0 h VAL 71 Ca 0.04 -0.20 0.01 0.00 0.82 0.00 0.00 66.70 67.37 2ch0 h VAL 71 Cb 0.51 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2ch0 h VAL 71 CO 0.03 0.11 0.07 -0.78 0.02 0.00 0.00 177.57 177.02 2ch0 h ASP 72 N 0.59 0.09 -0.08 0.57 3.58 -1.64 0.33 116.42 119.85 2ch0 h ASP 72 Ca 0.47 0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.85 2ch0 h ASP 72 Cb 0.69 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.74 2ch0 h ASP 72 CO -0.38 0.08 -0.26 0.15 -2.88 0.00 0.00 179.24 175.94 2ch0 h PHE 73 N 0.15 0.42 -0.34 0.28 3.57 -1.64 -3.27 116.94 116.11 2ch0 h PHE 73 Ca 0.07 -0.17 -0.03 0.00 3.53 0.00 0.00 57.97 61.37 2ch0 h PHE 73 Cb 0.02 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 2ch0 h PHE 73 CO -0.10 0.88 0.10 1.25 -2.23 0.00 0.00 178.31 178.21 2ch0 h LEU 74 N -0.16 0.50 -0.57 0.59 5.85 -0.96 -3.08 115.31 117.47 2ch0 h LEU 74 Ca -0.01 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.50 2ch0 h LEU 74 Cb 0.89 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.79 2ch0 h LEU 74 CO 0.06 0.58 0.00 0.00 -0.34 0.00 0.00 178.44 178.73 2ch0 n ALA 75 N -2.31 1.40 0.31 1.25 0.00 0.11 0.32 120.51 121.60 2ch0 n ALA 75 Ca -0.01 0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.60 2ch0 n ALA 75 Cb 0.17 -1.26 0.27 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.66 2.43 0.00 0.00 0.00 -1.17 -3.50 120.51 116.61 2ch0 n ALA 76 Ca 0.01 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.48 2ch0 n ALA 76 Cb 0.13 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 1.24 0.49 -3.08 0.00 5.15 -0.74 -4.85 115.26 113.46 2ch0 n ASN 77 Ca 0.20 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.83 2ch0 n ASN 77 Cb 0.53 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.78 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 -2.55 3.87 -0.77 1.20 1.02 0.15 -4.93 120.64 118.64 2ch0 n GLU 78 Ca 0.00 -4.38 -0.07 0.00 -0.02 0.00 0.00 57.16 52.69 2ch0 n GLU 78 Cb 0.24 -2.32 -0.11 0.00 -0.02 0.00 0.00 31.44 29.23 2ch0 n GLU 78 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2ch0 n SER 79 N -0.31 4.79 -0.06 1.62 7.64 -1.23 -4.24 113.62 121.84 2ch0 n SER 79 Ca 0.44 -2.36 -0.06 0.00 1.01 0.00 0.00 58.87 57.90 2ch0 n SER 79 Cb 0.36 -1.21 -0.08 0.00 -1.01 0.00 0.00 64.21 62.27 2ch0 n SER 79 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2ch0 n ARG 80 N 2.23 1.96 -1.30 1.43 1.74 -1.26 -5.03 116.66 116.44 2ch0 n ARG 80 Ca 0.27 0.01 -0.29 0.00 -0.77 0.00 0.00 57.85 57.06 2ch0 n ARG 80 Cb 0.72 -1.27 0.14 0.00 -1.02 0.00 0.00 32.46 31.02 2ch0 n ARG 80 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2ch0 s VAL 81 N -2.26 2.48 0.04 1.55 0.11 -1.26 -4.79 120.40 116.26 2ch0 s VAL 81 Ca -0.07 0.15 0.05 0.00 -2.93 0.00 0.00 61.98 59.18 2ch0 s VAL 81 Cb 0.03 -2.72 -0.02 0.00 -1.53 0.00 0.00 36.38 32.14 2ch0 s VAL 81 CO 0.42 -0.20 -0.15 0.00 -3.33 0.00 0.00 175.10 171.84 2ch0 s ARG 82 N -5.02 0.98 -0.20 1.54 1.70 -1.13 -5.04 118.95 111.77 2ch0 s ARG 82 Ca 0.64 -0.78 -0.05 0.00 -0.47 0.00 0.00 55.73 55.07 2ch0 s ARG 82 Cb -0.17 -1.00 -0.02 0.00 -0.57 0.00 0.00 34.95 33.19 2ch0 s ARG 82 CO 0.56 0.25 -0.01 0.99 -1.08 0.00 0.00 175.30 176.01 2ch0 s THR 83 N -0.85 3.86 0.10 4.99 2.01 -1.26 -2.25 115.64 122.23 2ch0 s THR 83 Ca 0.02 -0.34 0.07 0.00 0.31 0.00 0.00 61.69 61.75 2ch0 s THR 83 Cb -0.08 -2.74 -0.03 0.00 0.01 0.00 0.00 72.50 69.65 2ch0 s THR 83 CO 0.01 0.43 -0.18 -0.70 -0.69 0.00 0.00 174.62 173.50 2ch0 s GLU 84 N 1.02 1.02 -0.42 4.92 2.12 -0.45 -4.96 118.70 121.95 2ch0 s GLU 84 Ca 0.02 -1.12 -0.17 0.00 0.36 0.00 0.00 54.97 54.06 2ch0 s GLU 84 Cb -0.14 -1.13 0.02 0.00 0.26 0.00 0.00 34.13 33.13 2ch0 s GLU 84 CO 0.01 0.25 0.42 0.99 -0.54 0.00 0.00 175.26 176.40 2ch0 s THR 85 N -1.38 5.11 0.01 -1.70 2.01 -1.26 -1.03 115.64 117.40 2ch0 s THR 85 Ca 0.04 -0.39 0.00 0.00 0.31 0.00 0.00 61.69 61.66 2ch0 s THR 85 Cb -0.09 -4.03 -0.01 0.00 0.01 0.00 0.00 72.50 68.38 2ch0 s THR 85 CO 0.04 -0.41 -0.03 -0.60 -0.69 0.00 0.00 174.62 172.92 2ch0 s ARG 86 N 2.08 0.25 -0.24 4.92 3.00 -0.96 -4.93 118.95 123.07 2ch0 s ARG 86 Ca 0.11 -0.38 -0.24 0.00 -1.00 0.00 0.00 55.73 54.22 2ch0 s ARG 86 Cb -0.17 -0.04 -0.01 0.00 0.00 0.00 0.00 34.95 34.73 2ch0 s ARG 86 CO 0.13 -0.00 0.81 0.50 0.00 0.00 0.00 175.30 176.74 2ch0 s ARG 87 N -0.83 4.18 -0.07 5.12 3.00 -1.26 -2.37 118.95 126.72 2ch0 s ARG 87 Ca -0.08 0.91 -0.01 0.00 -1.00 0.00 0.00 55.73 55.55 2ch0 s ARG 87 Cb -0.06 -3.64 0.03 0.00 0.00 0.00 0.00 34.95 31.28 2ch0 s ARG 87 CO -0.00 -0.50 -0.01 0.96 0.00 0.00 0.00 175.30 175.74 2ch0 s ILE 88 N 2.78 0.48 -1.49 4.11 -0.00 0.88 -4.81 121.20 123.16 2ch0 s ILE 88 Ca 0.34 0.05 0.00 0.00 -0.00 0.00 0.00 60.65 61.04 2ch0 s ILE 88 Cb -0.15 -0.60 0.00 0.00 -0.00 0.00 0.00 42.46 41.71 2ch0 s ILE 88 CO 0.08 0.27 0.00 0.61 -0.00 0.00 0.00 174.94 175.90 2ch0 n GLY 89 N 5.01 0.73 0.96 6.27 0.00 -1.26 -2.16 105.19 114.73 2ch0 n GLY 89 Ca -0.10 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.06 0.71 3.02 -0.02 0.00 -1.26 -5.08 105.19 101.50 2ch0 n GLY 90 Ca -0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.53 0.85 -0.28 4.61 0.00 -0.92 -5.08 121.76 118.42 2ch0 s ALA 91 Ca 0.00 -0.37 -0.14 0.00 0.00 0.00 0.00 51.96 51.45 2ch0 s ALA 91 Cb 0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 2ch0 s ALA 91 CO 0.00 0.16 0.34 0.16 0.00 0.00 0.00 175.76 176.42 2ch0 s ASP 92 N 0.03 6.21 0.42 0.00 -4.77 -1.26 -0.08 116.67 117.21 2ch0 s ASP 92 Ca -0.00 0.20 0.03 0.00 -3.30 0.00 0.00 52.55 49.48 2ch0 s ASP 92 Cb -0.07 -2.19 -0.03 0.00 -1.09 0.00 0.00 42.92 39.54 2ch0 s ASP 92 CO 0.00 -0.17 0.09 -0.36 0.70 0.00 0.00 175.17 175.43 2ch0 s PHE 93 N 2.01 1.86 -0.48 2.11 0.08 -1.00 -4.88 117.98 117.68 2ch0 s PHE 93 Ca 0.13 -1.14 -0.23 0.00 0.12 0.00 0.00 56.93 55.82 2ch0 s PHE 93 Cb -0.16 -1.30 0.03 0.00 -0.57 0.00 0.00 43.02 41.02 2ch0 s PHE 93 CO 0.10 -0.10 0.79 -0.51 -0.10 0.00 0.00 175.22 175.40 2ch0 s LEU 94 N -3.65 4.33 -0.11 -0.37 1.02 -1.26 -2.27 118.68 116.35 2ch0 s LEU 94 Ca 0.22 -0.29 -0.05 0.00 0.02 0.00 0.00 54.13 54.03 2ch0 s LEU 94 Cb 0.04 -2.84 -0.04 0.00 0.02 0.00 0.00 46.19 43.36 2ch0 s LEU 94 CO 0.12 -0.98 0.08 0.54 0.02 0.00 0.00 176.35 176.13 2ch0 s VAL 95 N 3.33 5.00 0.22 -1.59 0.11 -0.20 -4.39 120.40 122.89 2ch0 s VAL 95 Ca 0.28 0.02 0.05 0.00 -2.93 0.00 0.00 61.98 59.39 2ch0 s VAL 95 Cb -0.13 -3.16 -0.03 0.00 -1.53 0.00 0.00 36.38 31.52 2ch0 s VAL 95 CO 0.20 0.60 0.29 0.26 -3.33 0.00 0.00 175.10 173.12 2ch0 s TRP 96 N -0.81 3.34 -0.21 1.54 0.51 -0.65 -1.34 118.94 121.32 2ch0 s TRP 96 Ca 0.13 -0.02 -0.20 0.00 -2.12 0.00 0.00 56.10 53.88 2ch0 s TRP 96 Cb -0.12 -1.53 0.06 0.00 -0.81 0.00 0.00 33.47 31.06 2ch0 s TRP 96 CO 0.03 0.48 0.58 -0.98 -0.51 0.00 0.00 176.95 176.54 2ch0 s ARG 97 N -3.77 0.69 -0.25 4.98 1.70 -0.96 -1.08 118.95 120.25 2ch0 s ARG 97 Ca 0.34 0.77 -0.08 0.00 -0.47 0.00 0.00 55.73 56.28 2ch0 s ARG 97 Cb -0.09 0.33 -0.03 0.00 -0.57 0.00 0.00 34.95 34.59 2ch0 s ARG 97 CO 0.27 -0.09 0.09 -0.46 -1.08 0.00 0.00 175.30 174.03 2ch0 s TRP 98 N 0.22 3.10 0.07 5.89 -0.11 -1.24 -2.83 118.94 124.04 2ch0 s TRP 98 Ca -0.01 -0.35 0.09 0.00 1.22 0.00 0.00 56.10 57.05 2ch0 s TRP 98 Cb -0.04 -2.26 -0.03 0.00 -1.50 0.00 0.00 33.47 29.64 2ch0 s TRP 98 CO 0.01 -0.33 -0.22 0.96 -4.62 0.00 0.00 176.95 172.76 2ch0 s ILE 99 N 1.62 2.55 -0.25 5.86 -4.36 -1.26 -4.47 121.20 120.89 2ch0 s ILE 99 Ca 0.06 -1.38 -0.04 0.00 -0.26 0.00 0.00 60.65 59.04 2ch0 s ILE 99 Cb -0.15 -2.08 0.08 0.00 1.25 0.00 0.00 42.46 41.56 2ch0 s ILE 99 CO 0.05 0.27 0.10 -1.10 0.24 0.00 0.00 174.94 174.50 2ch0 s GLN 100 N -1.60 0.30 0.44 0.37 -1.52 -1.05 -4.87 119.66 111.73 2ch0 s GLN 100 Ca 0.14 -0.48 -0.24 0.00 -1.95 0.00 0.00 55.36 52.83 2ch0 s GLN 100 Cb -0.10 -1.58 -0.08 0.00 -0.22 0.00 0.00 33.01 31.03 2ch0 s GLN 100 CO 0.05 -0.87 1.24 -2.14 -0.25 0.00 0.00 175.29 173.32 2ch0 s PRO 101 N 2.01 3.81 0.00 2.91 0.02 -1.26 -4.17 135.00 138.32 2ch0 s PRO 101 Ca 0.06 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.06 2ch0 s PRO 101 Cb -0.16 -2.57 0.00 0.00 0.02 0.00 0.00 34.50 31.79 2ch0 s PRO 101 CO -0.24 -0.57 0.00 -1.13 -0.33 0.00 0.00 177.00 174.73 2ch0 n SER 102 N -0.23 -2.14 -3.29 2.53 3.41 -1.26 -5.01 113.62 107.64 2ch0 n SER 102 Ca 0.06 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.38 2ch0 n SER 102 Cb 0.46 -0.48 -0.02 0.00 -0.26 0.00 0.00 64.21 63.90 2ch0 n SER 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ch0 n ALA 103 N 0.15 5.06 0.00 7.33 0.00 -1.26 -4.65 120.51 127.14 2ch0 n ALA 103 Ca 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 53.44 50.91 2ch0 n ALA 103 Cb 0.19 -3.18 0.00 0.00 0.00 0.00 0.00 19.45 16.46 2ch0 n ALA 103 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2ch0 n SER 104 N 4.64 0.00 -0.20 0.00 3.41 -1.26 -4.79 113.62 115.42 2ch0 n SER 104 Ca 0.52 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 59.01 2ch0 n SER 104 Cb 0.20 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.06 2ch0 n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ch0 s ASP 106 N -4.89 -0.17 0.00 0.00 1.01 -1.26 -5.10 116.67 106.27 2ch0 s ASP 106 Ca -0.12 0.02 0.00 0.00 0.71 0.00 0.00 52.55 53.16 2ch0 s ASP 106 Cb 0.08 0.31 0.00 0.00 1.01 0.00 0.00 42.92 44.32 2ch0 s ASP 106 CO 0.54 -0.47 0.00 1.17 0.21 0.00 0.00 175.17 176.62 2ch0 n LYS 107 N 1.17 0.00 -2.67 8.23 3.00 -1.26 -4.63 118.16 122.00 2ch0 n LYS 107 Ca -0.21 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.68 2ch0 n LYS 107 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.57 2ch0 n LYS 107 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2ch0 s ILE 108 N 0.00 4.16 -1.06 3.15 -1.09 -1.26 -4.96 121.20 120.15 2ch0 s ILE 108 Ca 0.00 -1.06 -0.22 0.00 -2.23 0.00 0.00 60.65 57.14 2ch0 s ILE 108 Cb 0.00 -4.99 0.04 0.00 -1.58 0.00 0.00 42.46 35.93 2ch0 s ILE 108 CO 0.00 -1.82 1.57 -0.76 -1.23 0.00 0.00 174.94 172.70 2ch0 s LEU 109 N 4.27 3.50 0.00 2.97 1.43 -1.26 -4.56 118.68 125.03 2ch0 s LEU 109 Ca 0.43 -1.53 0.12 0.00 -1.03 0.00 0.00 54.13 52.12 2ch0 s LEU 109 Cb -0.01 -2.57 0.26 0.00 0.03 0.00 0.00 46.19 43.90 2ch0 s LEU 109 CO -0.09 -1.64 1.15 0.55 0.23 0.00 0.00 176.35 176.55 2ch0 n VAL 110 N 6.95 0.65 -3.97 -1.59 3.14 -1.26 -4.90 118.33 117.35 2ch0 n VAL 110 Ca 0.37 -0.83 -0.35 0.00 -2.96 0.00 0.00 64.34 60.57 2ch0 n VAL 110 Cb 0.50 0.76 -0.14 0.00 -1.06 0.00 0.00 33.84 33.90 2ch0 n VAL 110 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2ch0 s ILE 111 N -1.02 3.42 0.66 1.55 -1.09 -1.26 -5.14 121.20 118.33 2ch0 s ILE 111 Ca 0.22 -0.48 -0.09 0.00 -2.23 0.00 0.00 60.65 58.07 2ch0 s ILE 111 Cb 0.13 -2.55 0.02 0.00 -1.58 0.00 0.00 42.46 38.47 2ch0 s ILE 111 CO 0.17 0.43 1.01 -2.16 -1.23 0.00 0.00 174.94 173.16 2ch0 s PRO 112 N 1.36 2.84 0.00 2.79 0.04 -1.26 -5.05 135.00 135.72 2ch0 s PRO 112 Ca 0.04 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.32 2ch0 s PRO 112 Cb -0.14 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.27 2ch0 s PRO 112 CO -0.02 -0.92 0.00 -1.13 0.04 0.00 0.00 177.00 174.97 2ch0 n SER 113 N -2.83 0.00 -4.06 6.66 3.41 -1.26 -5.13 113.62 110.41 2ch0 n SER 113 Ca 0.06 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.38 2ch0 n SER 113 Cb 0.58 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.36 2ch0 n SER 113 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2ch0 s LYS 114 N 0.00 2.31 -0.12 4.33 2.47 -1.26 -5.04 119.74 122.44 2ch0 s LYS 114 Ca 0.00 -0.59 0.16 0.00 -1.56 0.00 0.00 55.97 53.98 2ch0 s LYS 114 Cb 0.00 -1.99 -0.24 0.00 -1.46 0.00 0.00 37.83 34.14 2ch0 s LYS 114 CO 0.00 -0.10 0.38 1.33 0.16 0.00 0.00 175.35 177.11 2ch0 n VAL 115 N 4.33 1.45 -2.88 4.02 0.24 -1.26 -5.04 118.33 119.19 2ch0 n VAL 115 Ca -0.19 -0.82 -0.17 0.00 -2.04 0.00 0.00 64.34 61.13 2ch0 n VAL 115 Cb 0.51 -0.72 0.03 0.00 -1.47 0.00 0.00 33.84 32.19 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 -2.88 -1.55 0.00 6.34 7.02 -1.26 -3.22 117.44 121.89 2ch0 n TRP 116 Ca -0.24 0.44 0.00 0.00 -1.02 0.00 0.00 57.50 56.67 2ch0 n TRP 116 Cb 1.09 -3.68 0.00 0.00 -2.42 0.00 0.00 31.31 26.30 2ch0 n TRP 116 CO 0.00 0.00 0.00 0.94 -2.02 0.00 0.00 177.69 176.61 2ch0 n GLN 117 N -3.28 0.00 -3.61 -0.99 7.27 -1.26 -4.69 117.38 110.82 2ch0 n GLN 117 Ca -0.07 0.00 -0.03 0.00 0.07 0.00 0.00 57.00 56.96 2ch0 n GLN 117 Cb 0.59 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.22 2ch0 n GLN 117 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 2ch0 s GLY 118 N 0.00 -0.28 -0.31 1.69 0.00 -1.20 -5.01 107.32 102.21 2ch0 s GLY 118 Ca 0.00 1.62 -0.04 0.00 0.00 0.00 0.00 44.72 46.31 2ch0 s GLY 118 CO 0.00 0.53 2.79 0.61 0.00 0.00 0.00 173.10 177.03 2ch0 n GLN 119 N -0.10 2.14 -2.40 2.90 10.64 -1.25 -4.47 117.38 124.84 2ch0 n GLN 119 Ca 0.01 -1.81 -0.03 0.00 -1.83 0.00 0.00 57.00 53.34 2ch0 n GLN 119 Cb 0.58 -1.96 0.02 0.00 -0.86 0.00 0.00 30.24 28.01 2ch0 n GLN 119 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2ch0 n ALA 120 N 1.16 -0.32 -0.26 2.61 0.00 -1.26 -4.06 120.51 118.38 2ch0 n ALA 120 Ca 0.42 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2ch0 n ALA 120 Cb 0.63 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.05 2ch0 n ALA 120 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2ch0 n PHE 121 N -2.03 0.00 0.51 0.00 3.72 -1.26 -2.51 117.46 115.89 2ch0 n PHE 121 Ca -0.03 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.47 2ch0 n PHE 121 Cb 0.52 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.96 2ch0 n PHE 121 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 2ch0 n HIS 122 N 0.00 0.08 -0.35 1.38 1.44 -1.26 -4.90 115.22 111.61 2ch0 n HIS 122 Ca 0.00 0.02 0.00 0.00 -2.01 0.00 0.00 57.72 55.73 2ch0 n HIS 122 Cb 0.00 -0.31 0.00 0.00 0.12 0.00 0.00 29.99 29.80 2ch0 n HIS 122 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 2ch0 n LEU 123 N -1.91 -1.82 -4.80 2.39 0.00 -1.04 -5.06 117.00 104.77 2ch0 n LEU 123 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 56.01 55.66 2ch0 n LEU 123 Cb 0.45 -0.48 -0.07 0.00 0.00 0.00 0.00 43.42 43.31 2ch0 n LEU 123 CO 0.43 0.00 -0.17 -0.62 0.00 0.00 0.00 177.39 177.03 2ch0 s ASP 124 N -0.21 6.29 0.05 1.96 2.15 -1.26 -5.09 116.67 120.55 2ch0 s ASP 124 Ca 0.00 0.34 -0.12 0.00 0.43 0.00 0.00 52.55 53.20 2ch0 s ASP 124 Cb 0.00 -2.08 0.01 0.00 -0.30 0.00 0.00 42.92 40.55 2ch0 s ASP 124 CO 0.00 0.28 0.26 0.00 -0.17 0.00 0.00 175.17 175.53 2ch0 s ARG 125 N -0.25 0.77 0.01 4.34 3.03 -1.26 -5.08 118.95 120.50 2ch0 s ARG 125 Ca 0.11 -0.58 0.22 0.00 2.03 0.00 0.00 55.73 57.51 2ch0 s ARG 125 Cb -0.11 0.33 -0.18 0.00 -1.03 0.00 0.00 34.95 33.95 2ch0 s ARG 125 CO 0.01 -0.24 0.81 2.89 -1.13 0.00 0.00 175.30 177.63 2ch0 n ARG 126 N 0.58 0.29 0.00 3.89 1.85 -1.26 -5.02 116.66 116.99 2ch0 n ARG 126 Ca -0.18 -0.06 0.00 0.00 -1.00 0.00 0.00 57.85 56.60 2ch0 n ARG 126 Cb 0.59 -1.53 0.00 0.00 -1.05 0.00 0.00 32.46 30.47 2ch0 n ARG 126 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2ch0 n LEU 127 N -1.88 0.00 0.00 2.89 4.77 -1.26 -4.76 117.00 116.76 2ch0 n LEU 127 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2ch0 n LEU 127 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2ch0 n LEU 127 CO 0.43 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.70 2ch0 n GLU 128 N 0.00 0.00 -3.46 3.23 2.13 -1.26 -4.87 120.64 116.41 2ch0 n GLU 128 Ca 0.00 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.43 2ch0 n GLU 128 Cb 0.00 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.61 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 0.00 3.99 -0.33 5.31 6.06 -1.26 -5.04 118.95 127.68 2ch0 s ARG 129 Ca 0.00 -0.08 -0.29 0.00 -2.50 0.00 0.00 55.73 52.86 2ch0 s ARG 129 Cb 0.00 -3.66 -0.01 0.00 0.06 0.00 0.00 34.95 31.34 2ch0 s ARG 129 CO 0.00 -0.24 1.71 -1.25 -2.50 0.00 0.00 175.30 173.01 2ch0 s PRO 130 N 1.96 3.43 -0.43 5.12 0.04 -1.26 -4.86 135.00 139.00 2ch0 s PRO 130 Ca 0.12 1.36 0.10 0.00 0.04 0.00 0.00 61.00 62.63 2ch0 s PRO 130 Cb -0.16 -4.15 0.37 0.00 0.04 0.00 0.00 34.50 30.61 2ch0 s PRO 130 CO 0.10 -1.74 0.88 0.72 0.04 0.00 0.00 177.00 177.00 2ch0 n HIS 131 N 9.80 1.85 -1.48 0.56 8.25 -1.26 -5.04 115.22 127.90 2ch0 n HIS 131 Ca 0.21 -3.62 -0.40 0.00 -0.26 0.00 0.00 57.72 53.66 2ch0 n HIS 131 Cb 0.47 -0.39 -0.02 0.00 1.12 0.00 0.00 29.99 31.17 2ch0 n HIS 131 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2ch0 n ARG 132 N -0.02 3.11 -0.88 -0.41 5.12 -1.26 -5.12 116.66 117.19 2ch0 n ARG 132 Ca 0.26 -2.34 0.00 0.00 -1.93 0.00 0.00 57.85 53.84 2ch0 n ARG 132 Cb 0.61 -3.03 0.00 0.00 -1.16 0.00 0.00 32.46 28.88 2ch0 n ARG 132 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23