#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 5.39 0.90 1.61 0.15 -1.26 -5.12 113.70 115.38 2ch0 s SER 2 Ca 0.00 -1.68 -0.11 0.00 0.70 0.00 0.00 55.95 54.86 2ch0 s SER 2 Cb 0.00 -1.89 0.19 0.00 -1.71 0.00 0.00 66.02 62.61 2ch0 s SER 2 CO 0.00 -0.51 1.23 -2.16 1.20 0.00 0.00 173.24 173.01 2ch0 s PRO 3 N 1.29 0.80 0.00 5.44 0.05 -1.26 -5.14 135.00 136.19 2ch0 s PRO 3 Ca 0.04 -0.77 0.00 0.00 0.05 0.00 0.00 61.00 60.32 2ch0 s PRO 3 Cb -0.23 -2.00 0.00 0.00 0.05 0.00 0.00 34.50 32.32 2ch0 s PRO 3 CO -0.01 -2.21 0.00 0.39 0.05 0.00 0.00 177.00 175.22 2ch0 n GLU 4 N -3.51 3.87 -1.88 4.56 1.02 -1.26 -5.00 120.64 118.45 2ch0 n GLU 4 Ca 0.17 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.89 2ch0 n GLU 4 Cb 0.60 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 32.01 2ch0 n GLU 4 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28 2ch0 n PHE 5 N 0.00 3.03 0.67 -0.32 -1.74 -1.26 -4.66 117.46 113.19 2ch0 n PHE 5 Ca 0.00 -2.92 0.12 0.00 -0.56 0.00 0.00 57.45 54.09 2ch0 n PHE 5 Cb 0.00 -2.27 0.22 0.00 1.52 0.00 0.00 39.48 38.95 2ch0 n PHE 5 CO 0.00 0.00 0.00 -2.13 -0.56 0.00 0.00 176.76 174.07 2ch0 n ARG 6 N 4.40 2.34 0.00 3.97 3.00 -1.26 -4.76 116.66 124.35 2ch0 n ARG 6 Ca 0.54 -1.99 0.00 0.00 -0.00 0.00 0.00 57.85 56.40 2ch0 n ARG 6 Cb 0.34 -1.49 0.00 0.00 0.00 0.00 0.00 32.46 31.31 2ch0 n ARG 6 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.63 174.96 2ch0 n TRP 7 N 1.26 0.00 0.67 -0.14 4.27 -1.26 -4.01 117.44 118.23 2ch0 n TRP 7 Ca 0.17 0.00 0.10 0.00 -3.89 0.00 0.00 57.50 53.89 2ch0 n TRP 7 Cb 0.56 0.00 -0.14 0.00 -1.36 0.00 0.00 31.31 30.38 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 -0.66 0.00 -0.18 -1.67 5.66 -1.26 -4.66 114.28 111.50 2ch0 n THR 8 Ca 0.00 -0.17 0.30 0.00 -3.05 0.00 0.00 64.05 61.13 2ch0 n THR 8 Cb 0.00 0.67 0.72 0.00 -1.55 0.00 0.00 70.33 70.17 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 0.00 0.00 0.00 1.09 1.79 -1.86 -0.45 116.57 117.14 2ch0 h LYS 9 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2ch0 h LYS 9 Cb 0.67 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 2ch0 h LYS 9 CO 0.00 0.00 0.12 0.39 -1.08 0.00 0.00 179.45 178.88 2ch0 n GLU 10 N -4.03 0.05 -0.34 3.15 1.02 -1.26 -4.46 120.64 114.76 2ch0 n GLU 10 Ca 0.19 0.49 0.37 0.00 -0.02 0.00 0.00 57.16 58.19 2ch0 n GLU 10 Cb 1.05 -1.78 0.75 0.00 -0.02 0.00 0.00 31.44 31.43 2ch0 n GLU 10 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2ch0 h GLU 11 N 0.00 0.00 -0.48 3.49 4.81 -1.45 -1.13 114.58 119.82 2ch0 h GLU 11 Ca 0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 2ch0 h GLU 11 Cb 0.23 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 2ch0 h GLU 11 CO 0.00 0.00 0.06 1.49 -0.73 0.00 0.00 179.01 179.83 2ch0 h GLU 12 N 0.00 0.75 -0.24 1.92 4.57 -1.87 -0.17 114.58 119.55 2ch0 h GLU 12 Ca 0.59 -0.17 -0.03 0.00 -1.18 0.00 0.00 59.36 58.57 2ch0 h GLU 12 Cb 2.44 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 30.92 2ch0 h GLU 12 CO -0.01 0.72 0.02 0.93 -1.18 0.00 0.00 179.01 179.50 2ch0 h GLU 13 N 0.72 0.40 0.03 1.92 4.39 -1.57 -3.35 114.58 117.12 2ch0 h GLU 13 Ca 0.15 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 2ch0 h GLU 13 Cb 0.35 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2ch0 h GLU 13 CO 0.01 0.55 -0.01 0.00 -1.16 0.00 0.00 179.01 178.40 2ch0 h THR 14 N 0.19 1.28 0.00 1.13 1.03 -1.68 -3.37 112.91 111.49 2ch0 h THR 14 Ca 0.07 -1.78 0.00 0.00 -0.01 0.00 0.00 66.41 64.69 2ch0 h THR 14 Cb 0.36 2.34 0.00 0.00 -1.07 0.00 0.00 68.15 69.78 2ch0 h THR 14 CO 0.01 0.40 0.00 0.54 -0.01 0.00 0.00 175.52 176.46 2ch0 n ARG 15 N -4.72 0.00 -0.01 0.00 5.12 -0.08 -0.58 116.66 116.39 2ch0 n ARG 15 Ca -0.08 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 55.88 2ch0 n ARG 15 Cb 0.34 0.00 0.04 0.00 -1.16 0.00 0.00 32.46 31.67 2ch0 n ARG 15 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2ch0 n GLN 16 N 0.00 0.31 -0.15 5.56 0.00 -1.26 -4.71 117.38 117.12 2ch0 n GLN 16 Ca 0.00 -1.03 0.18 0.00 -0.00 0.00 0.00 57.00 56.15 2ch0 n GLN 16 Cb 0.00 -1.14 0.55 0.00 0.00 0.00 0.00 30.24 29.65 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 1.39 0.31 0.00 3.69 -0.00 -1.17 -3.06 114.93 116.10 2ch0 h MET 17 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.68 2ch0 h MET 17 Cb 0.34 -0.07 0.00 0.00 -0.00 0.00 0.00 31.60 31.87 2ch0 h MET 17 CO 0.00 0.21 0.38 1.88 -0.00 0.00 0.00 176.91 179.37 2ch0 h TYR 18 N 0.32 0.00 0.00 -0.10 0.05 -1.84 0.20 116.97 115.60 2ch0 h TYR 18 Ca 0.37 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.15 2ch0 h TYR 18 Cb 0.98 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.72 2ch0 h TYR 18 CO -0.00 0.00 0.00 -3.47 -1.05 0.00 0.00 178.16 173.64 2ch0 n ASP 19 N -2.34 0.00 0.15 3.88 2.03 -1.15 -4.65 116.55 114.47 2ch0 n ASP 19 Ca -0.01 0.00 0.18 0.00 0.52 0.00 0.00 54.79 55.48 2ch0 n ASP 19 Cb 0.40 0.00 0.78 0.00 -0.72 0.00 0.00 41.12 41.58 2ch0 n ASP 19 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 2ch0 h MET 20 N 0.00 0.00 -0.02 -0.67 2.86 -1.68 -2.53 114.93 112.89 2ch0 h MET 20 Ca 0.00 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.44 2ch0 h MET 20 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2ch0 h MET 20 CO 0.00 0.00 -0.84 0.28 1.06 0.00 0.00 176.91 177.41 2ch0 h VAL 21 N 0.00 1.44 -0.57 -2.22 2.07 -0.93 -3.32 116.25 112.71 2ch0 h VAL 21 Ca 0.13 -2.42 0.09 0.00 0.82 0.00 0.00 66.70 65.33 2ch0 h VAL 21 Cb 0.68 2.34 -0.07 0.00 -1.52 0.00 0.00 31.29 32.71 2ch0 h VAL 21 CO -0.00 0.71 0.18 0.58 0.02 0.00 0.00 177.57 179.06 2ch0 h VAL 22 N 0.18 0.75 0.00 2.57 2.07 -1.62 -0.95 116.25 119.24 2ch0 h VAL 22 Ca -0.05 -0.12 -0.11 0.00 0.82 0.00 0.00 66.70 67.25 2ch0 h VAL 22 Cb 1.45 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 2ch0 h VAL 22 CO 0.14 0.06 -0.51 0.07 0.02 0.00 0.00 177.57 177.35 2ch0 h LYS 23 N 0.34 0.00 0.03 1.57 -0.00 -1.74 -3.36 116.57 113.41 2ch0 h LYS 23 Ca 0.29 0.00 -0.27 0.00 -0.00 0.00 0.00 60.65 60.67 2ch0 h LYS 23 Cb 0.37 0.00 0.02 0.00 -0.00 0.00 0.00 32.23 32.62 2ch0 h LYS 23 CO -0.32 0.51 -1.09 0.82 -0.00 0.00 0.00 179.45 179.37 2ch0 h ILE 24 N 0.00 1.28 -0.63 0.07 2.04 -1.52 -3.32 117.51 115.43 2ch0 h ILE 24 Ca -0.01 -2.31 0.18 0.00 1.00 0.00 0.00 64.86 63.73 2ch0 h ILE 24 Cb 1.12 2.46 -0.03 0.00 -0.74 0.00 0.00 36.82 39.63 2ch0 h ILE 24 CO 0.07 0.71 0.46 0.16 0.00 0.00 0.00 178.15 179.55 2ch0 h ILE 25 N 0.36 0.65 0.00 -0.67 3.07 -1.34 0.27 117.51 119.85 2ch0 h ILE 25 Ca -0.14 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.27 2ch0 h ILE 25 Cb 1.75 0.68 0.00 0.00 -0.27 0.00 0.00 36.82 38.97 2ch0 h ILE 25 CO 0.21 0.00 0.00 0.44 -1.05 0.00 0.00 178.15 177.75 2ch0 h ASP 26 N 0.00 0.00 0.03 2.16 3.32 -1.75 -2.73 116.42 117.44 2ch0 h ASP 26 Ca 0.30 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.35 2ch0 h ASP 26 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2ch0 h ASP 26 CO -0.00 0.00 -0.01 -0.37 -1.72 0.00 0.00 179.24 177.13 2ch0 h VAL 27 N 0.00 1.30 0.15 -1.35 -1.51 -0.64 -3.21 116.25 110.99 2ch0 h VAL 27 Ca 0.00 -1.06 -0.01 0.00 -1.23 0.00 0.00 66.70 64.40 2ch0 h VAL 27 Cb 0.25 2.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.41 2ch0 h VAL 27 CO 0.00 0.27 -0.07 -0.07 -1.23 0.00 0.00 177.57 176.47 2ch0 h LEU 28 N -0.50 -0.17 -2.01 4.19 -0.00 -1.65 -2.92 115.31 112.25 2ch0 h LEU 28 Ca -0.00 -0.35 0.15 0.00 -0.00 0.00 0.00 57.88 57.67 2ch0 h LEU 28 Cb 0.47 0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 41.16 2ch0 h LEU 28 CO 0.01 0.32 0.37 -0.09 -0.00 0.00 0.00 178.44 179.05 2ch0 h ARG 29 N -0.73 0.00 0.03 1.13 2.43 -1.67 -1.87 114.38 113.71 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 0.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2ch0 h ARG 29 CO 0.03 0.00 -0.01 1.03 -1.51 0.00 0.00 179.97 179.51 2ch0 h SER 30 N 0.00 -0.04 -0.86 -3.80 0.87 -1.64 -3.33 113.55 104.75 2ch0 h SER 30 Ca 0.24 -0.61 0.09 0.00 -1.23 0.00 0.00 61.79 60.27 2ch0 h SER 30 Cb 0.98 0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 62.89 2ch0 h SER 30 CO -0.00 0.73 0.56 0.45 -0.53 0.00 0.00 176.83 178.04 2ch0 h HIS 31 N -0.95 0.93 -0.58 2.24 3.86 -1.42 -3.10 115.15 116.14 2ch0 h HIS 31 Ca -0.00 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.13 2ch0 h HIS 31 Cb 0.64 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.79 2ch0 h HIS 31 CO 0.17 0.45 -0.03 -0.91 0.86 0.00 0.00 177.93 178.47 2ch0 h ASN 32 N 0.88 1.00 0.12 2.45 2.35 -1.49 -0.54 115.58 120.36 2ch0 h ASN 32 Ca 0.39 -0.29 -0.15 0.00 -0.55 0.00 0.00 56.30 55.69 2ch0 h ASN 32 Cb 0.35 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 2ch0 h ASN 32 CO -0.16 1.07 -0.56 -0.33 -1.65 0.00 0.00 177.43 175.81 2ch0 h GLU 33 N 0.93 0.46 0.00 0.81 4.39 -1.64 -2.91 114.58 116.62 2ch0 h GLU 33 Ca 0.16 -0.29 -0.09 0.00 0.34 0.00 0.00 59.36 59.48 2ch0 h GLU 33 Cb 0.57 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 2ch0 h GLU 33 CO 0.03 0.89 -0.44 0.00 -1.16 0.00 0.00 179.01 178.34 2ch0 h ALA 34 N 1.05 0.99 -0.01 3.43 0.00 -1.56 -3.35 119.26 119.80 2ch0 h ALA 34 Ca 0.00 -0.40 -0.20 0.00 0.00 0.00 0.00 54.91 54.31 2ch0 h ALA 34 Cb 1.08 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2ch0 h ALA 34 CO 0.10 0.55 -0.87 0.00 0.00 0.00 0.00 179.25 179.03 2ch0 n GLN 36 N -3.73 0.13 0.09 0.00 -0.00 -1.22 -1.82 117.38 110.84 2ch0 n GLN 36 Ca -0.05 0.44 0.08 0.00 -0.00 0.00 0.00 57.00 57.47 2ch0 n GLN 36 Cb 0.80 -1.79 -0.01 0.00 -0.00 0.00 0.00 30.24 29.23 2ch0 n GLN 36 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.06 178.11 2ch0 h GLU 37 N 0.00 0.00 0.00 2.61 -0.00 -1.76 -3.42 114.58 112.01 2ch0 h GLU 37 Ca 0.00 0.00 -0.45 0.00 -0.00 0.00 0.00 59.36 58.91 2ch0 h GLU 37 Cb 0.24 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 28.95 2ch0 h GLU 37 CO 0.00 0.11 -0.21 0.09 -0.00 0.00 0.00 179.01 178.99 2ch0 n ASN 38 N -2.79 2.38 0.11 3.06 3.02 -0.76 -4.87 115.26 115.42 2ch0 n ASN 38 Ca -0.03 -2.48 -0.05 0.00 -0.03 0.00 0.00 54.58 51.99 2ch0 n ASN 38 Cb 0.65 -0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 39.76 2ch0 n ASN 38 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2ch0 h LYS 39 N 0.00 -0.31 -2.62 3.52 3.11 -1.92 -3.40 116.57 114.95 2ch0 h LYS 39 Ca -0.27 0.02 -0.13 0.00 -2.81 0.00 0.00 60.65 57.46 2ch0 h LYS 39 Cb 0.99 0.07 -0.28 0.00 -1.00 0.00 0.00 32.23 32.01 2ch0 h LYS 39 CO 0.43 -0.21 -0.38 0.16 -2.81 0.00 0.00 179.45 176.64 2ch0 s ASP 40 N -3.76 -0.21 0.45 4.20 1.47 -1.26 -4.79 116.67 112.77 2ch0 s ASP 40 Ca -0.05 0.88 0.21 0.00 1.18 0.00 0.00 52.55 54.78 2ch0 s ASP 40 Cb 0.00 1.06 1.09 0.00 -0.34 0.00 0.00 42.92 44.74 2ch0 s ASP 40 CO 0.14 -0.22 1.94 0.17 0.68 0.00 0.00 175.17 177.88 2ch0 h LEU 41 N 7.91 0.00 -3.98 2.11 8.10 -1.86 -3.37 115.31 124.22 2ch0 h LEU 41 Ca -0.21 0.00 -0.63 0.00 0.11 0.00 0.00 57.88 57.14 2ch0 h LEU 41 Cb 1.13 0.00 -0.30 0.00 -0.44 0.00 0.00 40.66 41.05 2ch0 h LEU 41 CO 0.17 0.23 0.74 1.67 -4.11 0.00 0.00 178.44 177.14 2ch0 n GLN 42 N -3.77 2.63 -0.20 0.17 -0.06 -1.26 -5.03 117.38 109.86 2ch0 n GLN 42 Ca -0.01 -3.28 0.27 0.00 -2.00 0.00 0.00 57.00 51.98 2ch0 n GLN 42 Cb 0.33 -2.26 0.41 0.00 -4.06 0.00 0.00 30.24 24.66 2ch0 n GLN 42 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 2ch0 n PRO 43 N -0.96 0.01 -3.58 3.69 -0.02 -1.26 -4.19 135.00 128.70 2ch0 n PRO 43 Ca 0.61 0.98 -0.13 0.00 -2.02 0.00 0.00 63.50 62.94 2ch0 n PRO 43 Cb 0.88 -2.44 -0.05 0.00 -0.02 0.00 0.00 33.50 31.87 2ch0 n PRO 43 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 2ch0 s TYR 44 N -4.34 -0.36 -0.11 6.00 2.02 -1.26 -4.74 117.35 114.55 2ch0 s TYR 44 Ca -0.02 0.29 -0.06 0.00 -0.37 0.00 0.00 57.07 56.90 2ch0 s TYR 44 Cb 0.13 0.33 0.04 0.00 -0.40 0.00 0.00 41.96 42.07 2ch0 s TYR 44 CO 0.44 -0.67 0.26 -1.64 -1.57 0.00 0.00 175.55 172.38 2ch0 s MET 45 N -2.92 0.25 0.95 -0.62 -1.94 0.01 -4.97 119.30 110.05 2ch0 s MET 45 Ca -0.03 0.51 -0.12 0.00 -1.71 0.00 0.00 55.69 54.35 2ch0 s MET 45 Cb -0.00 -0.05 0.16 0.00 2.01 0.00 0.00 34.83 36.95 2ch0 s MET 45 CO -0.06 -0.13 1.10 -1.25 -0.01 0.00 0.00 175.02 174.67 2ch0 s PRO 46 N 1.00 0.84 0.19 2.03 0.04 -1.26 -1.20 135.00 136.64 2ch0 s PRO 46 Ca -0.07 0.57 -0.12 0.00 0.04 0.00 0.00 61.00 61.43 2ch0 s PRO 46 Cb -0.08 -1.78 0.18 0.00 0.04 0.00 0.00 34.50 32.86 2ch0 s PRO 46 CO -0.07 -2.47 1.78 0.82 0.04 0.00 0.00 177.00 177.11 2ch0 h ILE 47 N -1.70 0.92 0.00 0.56 2.04 -1.93 0.36 117.51 117.75 2ch0 h ILE 47 Ca -0.52 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.16 2ch0 h ILE 47 Cb 1.31 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 2ch0 h ILE 47 CO 0.57 0.09 0.36 -2.65 0.00 0.00 0.00 178.15 176.52 2ch0 n PRO 48 N -4.89 0.06 -0.25 2.37 -0.02 -1.26 -3.90 135.00 127.11 2ch0 n PRO 48 Ca 0.06 0.49 0.14 0.00 -2.02 0.00 0.00 63.50 62.17 2ch0 n PRO 48 Cb 0.17 -2.05 0.42 0.00 -0.02 0.00 0.00 33.50 32.02 2ch0 n PRO 48 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2ch0 h HIS 49 N 0.00 0.72 -0.12 6.00 -0.00 -0.59 0.67 115.15 121.83 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 0.71 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.88 2ch0 h HIS 49 CO 0.00 0.25 -0.34 0.28 -0.00 0.00 0.00 177.93 178.12 2ch0 h VAL 50 N 0.59 1.28 -0.87 5.26 2.07 -1.77 -1.85 116.25 120.96 2ch0 h VAL 50 Ca 0.45 -1.34 0.20 0.00 0.82 0.00 0.00 66.70 66.83 2ch0 h VAL 50 Cb 0.85 1.57 -0.06 0.00 -1.52 0.00 0.00 31.29 32.12 2ch0 h VAL 50 CO -0.20 0.40 0.58 -0.09 0.02 0.00 0.00 177.57 178.29 2ch0 h ARG 51 N 0.20 0.36 0.00 1.57 2.43 -1.07 0.54 114.38 118.42 2ch0 h ARG 51 Ca 0.03 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2ch0 h ARG 51 Cb 0.70 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 2ch0 h ARG 51 CO 0.05 0.24 0.00 -3.47 -1.51 0.00 0.00 179.97 175.28 2ch0 n ASP 52 N -4.49 0.69 -0.07 -3.80 2.03 -0.70 -3.81 116.55 106.41 2ch0 n ASP 52 Ca 0.18 0.67 -0.22 0.00 0.52 0.00 0.00 54.79 55.94 2ch0 n ASP 52 Cb 0.69 -0.82 -0.12 0.00 -0.72 0.00 0.00 41.12 40.15 2ch0 n ASP 52 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2ch0 n SER 53 N -2.26 1.98 0.20 1.67 7.64 0.10 -4.69 113.62 118.25 2ch0 n SER 53 Ca 0.02 0.30 0.05 0.00 1.01 0.00 0.00 58.87 60.25 2ch0 n SER 53 Cb 0.24 -0.87 0.42 0.00 -1.01 0.00 0.00 64.21 62.98 2ch0 n SER 53 CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 2ch0 h LEU 54 N -0.54 0.00 -7.22 -3.43 -0.00 -1.42 -3.44 115.31 99.26 2ch0 h LEU 54 Ca -0.43 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.36 2ch0 h LEU 54 Cb 1.65 0.00 -0.20 0.00 -0.00 0.00 0.00 40.66 42.11 2ch0 h LEU 54 CO -0.12 0.33 -0.03 -0.63 -0.00 0.00 0.00 178.44 178.00 2ch0 s ILE 55 N -4.07 0.02 -0.21 0.15 1.09 -1.26 -4.96 121.20 111.97 2ch0 s ILE 55 Ca -0.02 -0.19 -0.21 0.00 -1.10 0.00 0.00 60.65 59.14 2ch0 s ILE 55 Cb 0.13 -0.82 -0.18 0.00 -1.06 0.00 0.00 42.46 40.54 2ch0 s ILE 55 CO 0.69 -0.10 0.16 0.00 -0.10 0.00 0.00 174.94 175.59 2ch0 n GLN 56 N 1.30 0.56 0.00 2.79 3.00 -1.26 -4.59 117.38 119.18 2ch0 n GLN 56 Ca -0.19 0.56 0.00 0.00 -0.01 0.00 0.00 57.00 57.36 2ch0 n GLN 56 Cb 0.56 -1.73 0.00 0.00 0.00 0.00 0.00 30.24 29.07 2ch0 n GLN 56 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 2ch0 n PRO 57 N -4.43 3.83 0.24 -1.09 -0.04 -1.26 -4.75 135.00 127.49 2ch0 n PRO 57 Ca -0.32 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.23 2ch0 n PRO 57 Cb 0.67 0.00 0.60 0.00 -0.04 0.00 0.00 33.50 34.73 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 -0.13 0.54 2.07 -2.04 -2.71 115.15 112.87 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 0.19 0.00 -0.25 -3.07 0.00 0.00 177.93 174.80 2ch0 n ASP 59 N -3.84 0.94 -0.32 3.10 8.00 -1.26 -4.60 116.55 118.58 2ch0 n ASP 59 Ca -0.02 -1.76 0.16 0.00 0.71 0.00 0.00 54.79 53.88 2ch0 n ASP 59 Cb 0.28 -0.09 0.35 0.00 -0.02 0.00 0.00 41.12 41.65 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 1.15 0.35 0.00 -1.24 -0.00 -1.73 -0.09 114.38 112.82 2ch0 h ARG 60 Ca 0.00 -0.02 -0.04 0.00 -0.00 0.00 0.00 59.98 59.92 2ch0 h ARG 60 Cb 0.26 -0.08 -0.01 0.00 -0.00 0.00 0.00 29.97 30.14 2ch0 h ARG 60 CO 0.00 0.23 -0.20 -0.22 -0.00 0.00 0.00 179.97 179.78 2ch0 h LYS 61 N 0.36 0.00 -0.25 0.08 3.11 -1.84 -3.38 116.57 114.65 2ch0 h LYS 61 Ca 0.61 0.00 0.07 0.00 -2.81 0.00 0.00 60.65 58.52 2ch0 h LYS 61 Cb 1.24 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.46 2ch0 h LYS 61 CO -0.57 0.20 0.40 -0.22 -2.81 0.00 0.00 179.45 176.45 2ch0 h LYS 62 N 0.00 0.00 -0.16 1.90 3.64 -1.35 0.83 116.57 121.42 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 0.64 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 2ch0 h LYS 62 CO 0.03 0.00 0.00 -1.33 -2.27 0.00 0.00 179.45 175.88 2ch0 n MET 63 N -3.40 2.48 0.01 1.90 2.81 -1.26 -4.51 117.12 115.16 2ch0 n MET 63 Ca 0.04 -1.66 -0.10 0.00 -1.81 0.00 0.00 57.70 54.16 2ch0 n MET 63 Cb 0.53 -1.14 0.04 0.00 -0.71 0.00 0.00 33.22 31.93 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 1.12 0.53 -0.27 0.03 3.64 -1.01 -1.38 116.57 119.22 2ch0 h LYS 64 Ca 0.00 -0.36 0.03 0.00 -1.27 0.00 0.00 60.65 59.05 2ch0 h LYS 64 Cb 0.57 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 2ch0 h LYS 64 CO 0.00 0.98 0.07 -0.22 -2.27 0.00 0.00 179.45 178.01 2ch0 h LYS 65 N 0.40 0.18 0.01 1.90 3.64 -1.76 -1.21 116.57 119.73 2ch0 h LYS 65 Ca -0.00 -0.01 -0.20 0.00 -1.27 0.00 0.00 60.65 59.17 2ch0 h LYS 65 Cb 1.16 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 2ch0 h LYS 65 CO 0.11 0.12 -0.90 -0.24 -2.27 0.00 0.00 179.45 176.27 2ch0 h VAL 66 N 0.18 1.52 -0.44 2.00 3.04 -1.82 -3.29 116.25 117.45 2ch0 h VAL 66 Ca 0.12 -2.73 0.00 0.00 -1.01 0.00 0.00 66.70 63.09 2ch0 h VAL 66 Cb 0.11 2.53 -0.02 0.00 -2.01 0.00 0.00 31.29 31.90 2ch0 h VAL 66 CO -0.15 0.79 0.29 -0.25 -1.01 0.00 0.00 177.57 177.25 2ch0 h TRP 67 N 0.08 0.55 -0.50 3.17 2.91 -1.06 0.25 115.95 121.36 2ch0 h TRP 67 Ca -0.04 0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.03 2ch0 h TRP 67 Cb 1.54 -0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 29.98 2ch0 h TRP 67 CO 0.03 0.35 0.33 0.22 -1.03 0.00 0.00 178.44 178.34 2ch0 h ASP 68 N 0.60 0.47 0.04 2.65 3.58 -1.29 0.42 116.42 122.89 2ch0 h ASP 68 Ca 0.16 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.60 2ch0 h ASP 68 Cb -0.07 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 40.87 2ch0 h ASP 68 CO -0.03 0.32 -0.02 -0.09 -2.88 0.00 0.00 179.24 176.54 2ch0 h ARG 69 N 0.54 -0.05 -0.73 0.28 1.12 -1.57 -3.38 114.38 110.59 2ch0 h ARG 69 Ca 0.20 0.00 0.14 0.00 -1.11 0.00 0.00 59.98 59.22 2ch0 h ARG 69 Cb 0.13 0.01 -0.05 0.00 -0.01 0.00 0.00 29.97 30.06 2ch0 h ARG 69 CO -0.05 0.52 0.49 0.00 -3.11 0.00 0.00 179.97 177.82 2ch0 h ALA 70 N -0.35 2.11 -0.08 2.80 0.00 -0.17 -0.34 119.26 123.23 2ch0 h ALA 70 Ca -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2ch0 h ALA 70 Cb 0.59 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2ch0 h ALA 70 CO 0.01 -0.30 0.03 -0.24 0.00 0.00 0.00 179.25 178.75 2ch0 h VAL 71 N 0.41 1.03 -0.52 0.00 3.04 -0.38 -3.26 116.25 116.57 2ch0 h VAL 71 Ca 0.36 -0.11 0.07 0.00 -1.01 0.00 0.00 66.70 66.01 2ch0 h VAL 71 Cb 0.81 0.95 -0.06 0.00 -2.01 0.00 0.00 31.29 30.98 2ch0 h VAL 71 CO -0.11 0.04 0.19 -0.78 -1.01 0.00 0.00 177.57 175.89 2ch0 h ASP 72 N 0.10 0.19 0.11 3.17 1.82 -1.23 0.46 116.42 121.04 2ch0 h ASP 72 Ca 0.03 0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 56.73 2ch0 h ASP 72 Cb 0.03 0.05 0.00 0.00 0.68 0.00 0.00 39.33 40.08 2ch0 h ASP 72 CO -0.00 0.13 -0.05 0.15 -1.61 0.00 0.00 179.24 177.86 2ch0 h PHE 73 N 0.37 -0.13 -0.21 0.28 3.57 -1.73 -2.55 116.94 116.54 2ch0 h PHE 73 Ca 0.25 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.81 2ch0 h PHE 73 Cb 0.28 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.00 2ch0 h PHE 73 CO -0.16 0.14 -0.20 1.25 -2.23 0.00 0.00 178.31 177.11 2ch0 h LEU 74 N -0.41 -0.65 -1.04 0.59 6.46 -1.61 -2.96 115.31 115.69 2ch0 h LEU 74 Ca -0.01 0.12 -0.10 0.00 -0.12 0.00 0.00 57.88 57.77 2ch0 h LEU 74 Cb 0.34 0.31 -0.01 0.00 -0.73 0.00 0.00 40.66 40.56 2ch0 h LEU 74 CO 0.02 -0.24 -0.43 0.00 -0.62 0.00 0.00 178.44 177.17 2ch0 h ALA 75 N 0.85 1.20 0.00 1.25 0.00 -0.21 -3.29 119.26 119.06 2ch0 h ALA 75 Ca 0.13 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2ch0 h ALA 75 Cb 0.41 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2ch0 h ALA 75 CO -0.34 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.48 2ch0 n ALA 76 N -2.46 2.31 0.78 0.00 0.00 -0.96 -3.11 120.51 117.07 2ch0 n ALA 76 Ca -0.02 -0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.38 2ch0 n ALA 76 Cb 0.47 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.47 2ch0 n ALA 76 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2ch0 n ASN 77 N -1.24 1.35 -1.11 0.00 0.23 -1.19 -5.07 115.26 108.23 2ch0 n ASN 77 Ca 0.13 -1.18 0.00 0.00 -0.53 0.00 0.00 54.58 53.01 2ch0 n ASN 77 Cb 0.18 0.68 0.00 0.00 -2.08 0.00 0.00 39.78 38.56 2ch0 n ASN 77 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 2ch0 n GLU 78 N -0.60 0.00 -2.72 -3.83 4.07 -1.18 -5.13 120.64 111.25 2ch0 n GLU 78 Ca 0.06 0.39 -0.24 0.00 -0.06 0.00 0.00 57.16 57.31 2ch0 n GLU 78 Cb 0.32 -0.72 0.02 0.00 -0.06 0.00 0.00 31.44 31.01 2ch0 n GLU 78 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 2ch0 s SER 79 N 0.00 5.62 0.14 4.31 1.04 -1.26 -5.04 113.70 118.51 2ch0 s SER 79 Ca 0.00 0.37 0.26 0.00 0.48 0.00 0.00 55.95 57.06 2ch0 s SER 79 Cb 0.00 -1.45 0.82 0.00 0.10 0.00 0.00 66.02 65.49 2ch0 s SER 79 CO 0.00 -0.92 1.73 -1.14 0.98 0.00 0.00 173.24 173.88 2ch0 n ARG 80 N -2.31 0.20 -3.20 4.02 3.00 -1.26 -4.68 116.66 112.43 2ch0 n ARG 80 Ca 0.04 0.14 -0.39 0.00 -0.00 0.00 0.00 57.85 57.64 2ch0 n ARG 80 Cb 0.58 -1.71 -0.06 0.00 0.00 0.00 0.00 32.46 31.27 2ch0 n ARG 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2ch0 s VAL 81 N -3.08 5.09 0.17 5.15 -7.23 -1.26 -3.84 120.40 115.41 2ch0 s VAL 81 Ca 0.11 1.08 0.04 0.00 -1.81 0.00 0.00 61.98 61.39 2ch0 s VAL 81 Cb 0.14 -3.89 -0.03 0.00 0.56 0.00 0.00 36.38 33.16 2ch0 s VAL 81 CO 0.61 0.20 0.27 0.00 -0.31 0.00 0.00 175.10 175.87 2ch0 s ARG 82 N 1.37 3.32 -0.26 4.82 1.70 -0.11 -4.84 118.95 124.94 2ch0 s ARG 82 Ca 0.27 -0.70 -0.17 0.00 -0.47 0.00 0.00 55.73 54.66 2ch0 s ARG 82 Cb -0.16 -2.87 -0.03 0.00 -0.57 0.00 0.00 34.95 31.32 2ch0 s ARG 82 CO 0.11 0.49 0.46 0.95 -1.08 0.00 0.00 175.30 176.23 2ch0 s THR 83 N -1.81 5.11 0.02 4.99 -4.23 -1.26 -1.40 115.64 117.06 2ch0 s THR 83 Ca 0.34 0.76 0.08 0.00 -1.18 0.00 0.00 61.69 61.69 2ch0 s THR 83 Cb -0.10 -3.78 -0.02 0.00 1.34 0.00 0.00 72.50 69.94 2ch0 s THR 83 CO 0.27 0.12 -0.23 -0.70 -0.54 0.00 0.00 174.62 173.54 2ch0 s GLU 84 N 2.20 1.72 -0.41 3.99 2.56 -0.09 -4.92 118.70 123.76 2ch0 s GLU 84 Ca 0.19 -0.94 -0.16 0.00 0.00 0.00 0.00 54.97 54.06 2ch0 s GLU 84 Cb -0.16 -1.78 0.02 0.00 2.00 0.00 0.00 34.13 34.21 2ch0 s GLU 84 CO 0.09 0.47 0.37 0.99 -0.56 0.00 0.00 175.26 176.63 2ch0 s THR 85 N -0.68 5.17 0.00 -1.70 2.01 -1.26 -0.92 115.64 118.26 2ch0 s THR 85 Ca 0.09 -0.44 -0.02 0.00 0.31 0.00 0.00 61.69 61.64 2ch0 s THR 85 Cb -0.09 -3.97 -0.01 0.00 0.01 0.00 0.00 72.50 68.44 2ch0 s THR 85 CO 0.01 -0.34 0.03 -0.60 -0.69 0.00 0.00 174.62 173.02 2ch0 s ARG 86 N 1.94 0.27 -0.19 4.92 6.06 -0.97 -4.94 118.95 126.04 2ch0 s ARG 86 Ca 0.09 -0.36 -0.24 0.00 -2.50 0.00 0.00 55.73 52.73 2ch0 s ARG 86 Cb -0.18 0.10 -0.02 0.00 0.06 0.00 0.00 34.95 34.92 2ch0 s ARG 86 CO 0.12 -0.05 0.77 0.50 -2.50 0.00 0.00 175.30 174.14 2ch0 s ARG 87 N -0.98 4.26 -0.06 5.12 3.00 -1.26 -1.97 118.95 127.07 2ch0 s ARG 87 Ca -0.11 0.88 -0.01 0.00 -1.00 0.00 0.00 55.73 55.50 2ch0 s ARG 87 Cb -0.06 -3.58 0.03 0.00 0.00 0.00 0.00 34.95 31.33 2ch0 s ARG 87 CO -0.00 -0.32 0.01 0.96 0.00 0.00 0.00 175.30 175.94 2ch0 s ILE 88 N 2.15 0.28 -1.63 4.11 -0.00 0.73 -4.83 121.20 122.01 2ch0 s ILE 88 Ca 0.35 0.14 0.00 0.00 -0.00 0.00 0.00 60.65 61.13 2ch0 s ILE 88 Cb -0.16 -0.43 0.00 0.00 -0.00 0.00 0.00 42.46 41.87 2ch0 s ILE 88 CO 0.11 0.22 0.00 0.61 -0.00 0.00 0.00 174.94 175.88 2ch0 n GLY 89 N 4.86 0.68 0.95 6.27 0.00 -1.26 -2.01 105.19 114.68 2ch0 n GLY 89 Ca -0.12 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.95 0.69 2.98 -0.02 0.00 -1.26 -5.08 105.19 101.55 2ch0 n GLY 90 Ca -0.19 0.00 -0.19 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 -2.56 0.69 -0.31 4.61 0.00 -0.85 -5.09 121.76 118.25 2ch0 s ALA 91 Ca 0.00 -0.26 -0.17 0.00 0.00 0.00 0.00 51.96 51.53 2ch0 s ALA 91 Cb 0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 2ch0 s ALA 91 CO 0.00 0.12 0.46 0.16 0.00 0.00 0.00 175.76 176.49 2ch0 s ASP 92 N 0.15 6.31 0.38 0.00 -4.77 -1.26 -0.19 116.67 117.28 2ch0 s ASP 92 Ca -0.02 0.16 0.04 0.00 -3.30 0.00 0.00 52.55 49.43 2ch0 s ASP 92 Cb -0.07 -2.25 -0.06 0.00 -1.09 0.00 0.00 42.92 39.46 2ch0 s ASP 92 CO 0.00 -0.34 0.05 -0.36 0.70 0.00 0.00 175.17 175.23 2ch0 s PHE 93 N 2.24 2.04 -0.44 2.11 0.08 -0.83 -4.89 117.98 118.30 2ch0 s PHE 93 Ca 0.17 -0.95 -0.20 0.00 0.12 0.00 0.00 56.93 56.07 2ch0 s PHE 93 Cb -0.16 -1.40 0.02 0.00 -0.57 0.00 0.00 43.02 40.91 2ch0 s PHE 93 CO 0.11 0.08 0.63 -0.51 -0.10 0.00 0.00 175.22 175.43 2ch0 s LEU 94 N -3.59 4.54 0.17 -0.37 1.43 -1.26 -2.28 118.68 117.31 2ch0 s LEU 94 Ca 0.31 -0.37 0.04 0.00 -1.03 0.00 0.00 54.13 53.08 2ch0 s LEU 94 Cb 0.07 -2.70 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 2ch0 s LEU 94 CO 0.15 -0.77 0.24 -0.69 0.23 0.00 0.00 176.35 175.50 2ch0 s VAL 95 N 2.77 4.96 0.04 -1.59 1.01 -0.09 -4.46 120.40 123.04 2ch0 s VAL 95 Ca 0.22 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 2ch0 s VAL 95 Cb -0.14 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 2ch0 s VAL 95 CO 0.19 -0.14 0.18 0.26 0.00 0.00 0.00 175.10 175.59 2ch0 s TRP 96 N -1.80 3.48 0.04 5.22 0.51 -0.34 -0.91 118.94 125.14 2ch0 s TRP 96 Ca 0.33 0.26 -0.18 0.00 -2.12 0.00 0.00 56.10 54.39 2ch0 s TRP 96 Cb -0.10 -1.76 0.04 0.00 -0.81 0.00 0.00 33.47 30.83 2ch0 s TRP 96 CO 0.27 0.60 0.41 -0.98 -0.51 0.00 0.00 176.95 176.73 2ch0 s ARG 97 N -2.32 0.91 0.06 4.98 1.70 -0.49 -0.81 118.95 122.97 2ch0 s ARG 97 Ca 0.32 -0.35 0.08 0.00 -0.47 0.00 0.00 55.73 55.31 2ch0 s ARG 97 Cb -0.13 0.41 -0.03 0.00 -0.57 0.00 0.00 34.95 34.63 2ch0 s ARG 97 CO 0.24 -0.31 -0.22 1.67 -1.08 0.00 0.00 175.30 175.60 2ch0 s TRP 98 N -2.42 1.94 0.10 5.89 -2.14 -1.26 -0.93 118.94 120.11 2ch0 s TRP 98 Ca -0.06 -0.39 0.01 0.00 2.66 0.00 0.00 56.10 58.32 2ch0 s TRP 98 Cb -0.01 -1.13 -0.04 0.00 -3.10 0.00 0.00 33.47 29.19 2ch0 s TRP 98 CO -0.02 0.14 0.24 0.96 -2.66 0.00 0.00 176.95 175.62 2ch0 s ILE 99 N -0.89 5.36 0.06 0.66 -0.00 -1.25 -4.74 121.20 120.39 2ch0 s ILE 99 Ca 0.09 -0.47 0.01 0.00 -0.00 0.00 0.00 60.65 60.28 2ch0 s ILE 99 Cb -0.09 -3.67 -0.03 0.00 -0.00 0.00 0.00 42.46 38.67 2ch0 s ILE 99 CO 0.03 0.05 -0.06 0.00 -0.00 0.00 0.00 174.94 174.96 2ch0 s GLN 100 N -2.77 0.60 0.91 0.37 1.03 -1.26 -4.87 119.66 113.67 2ch0 s GLN 100 Ca 0.35 -0.96 -0.11 0.00 0.04 0.00 0.00 55.36 54.68 2ch0 s GLN 100 Cb -0.12 -0.14 0.14 0.00 0.03 0.00 0.00 33.01 32.92 2ch0 s GLN 100 CO 0.28 -0.00 1.11 -2.14 -2.54 0.00 0.00 175.29 172.00 2ch0 s PRO 101 N -2.51 1.05 0.31 9.60 0.02 -1.26 -4.93 135.00 137.28 2ch0 s PRO 101 Ca -0.02 1.31 0.00 0.00 0.02 0.00 0.00 61.00 62.30 2ch0 s PRO 101 Cb -0.03 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.74 2ch0 s PRO 101 CO -0.03 -2.53 0.00 0.45 -0.33 0.00 0.00 177.00 174.56 2ch0 n SER 102 N -4.14 0.00 -2.62 2.53 2.88 -1.26 -4.50 113.62 106.51 2ch0 n SER 102 Ca 0.10 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.44 2ch0 n SER 102 Cb 0.53 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.00 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 -0.67 4.22 -0.04 -1.46 0.00 -1.26 -4.92 120.51 116.38 2ch0 n ALA 103 Ca 0.00 -3.82 -0.13 0.00 0.00 0.00 0.00 53.44 49.48 2ch0 n ALA 103 Cb 0.00 -0.73 -0.11 0.00 0.00 0.00 0.00 19.45 18.60 2ch0 n ALA 103 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2ch0 h SER 104 N 2.80 0.02 -3.65 0.00 0.02 -1.87 -3.46 113.55 107.41 2ch0 h SER 104 Ca 0.12 -0.70 -0.61 0.00 -0.84 0.00 0.00 61.79 59.76 2ch0 h SER 104 Cb 1.00 -0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.34 2ch0 h SER 104 CO 0.69 0.71 -0.82 0.00 -1.14 0.00 0.00 176.83 176.27 2ch0 n ASP 106 N 0.59 5.14 0.03 0.00 2.03 -1.26 -4.49 116.55 118.59 2ch0 n ASP 106 Ca -0.15 -2.47 -0.05 0.00 0.52 0.00 0.00 54.79 52.64 2ch0 n ASP 106 Cb 0.55 -1.22 -0.10 0.00 -0.72 0.00 0.00 41.12 39.62 2ch0 n ASP 106 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2ch0 h LYS 107 N 6.33 0.00 0.00 -0.67 3.64 -1.91 -3.45 116.57 120.51 2ch0 h LYS 107 Ca 0.56 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.94 2ch0 h LYS 107 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2ch0 h LYS 107 CO 1.63 0.54 0.00 -0.89 -2.27 0.00 0.00 179.45 178.46 2ch0 n ILE 108 N -3.08 0.00 -1.39 2.00 5.41 -1.26 -4.37 119.36 116.67 2ch0 n ILE 108 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.66 2ch0 n ILE 108 Cb 0.94 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.87 2ch0 n ILE 108 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 2ch0 n LEU 109 N 0.00 -1.85 0.14 1.39 7.94 -1.26 -5.03 117.00 118.33 2ch0 n LEU 109 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2ch0 n LEU 109 Cb 0.00 -0.67 0.14 0.00 0.53 0.00 0.00 43.42 43.42 2ch0 n LEU 109 CO 0.00 0.00 0.47 0.58 -1.11 0.00 0.00 177.39 177.33 2ch0 h VAL 110 N 0.00 1.26 -0.87 1.96 2.07 -2.03 -3.50 116.25 115.14 2ch0 h VAL 110 Ca 0.00 -2.22 0.00 0.00 0.82 0.00 0.00 66.70 65.30 2ch0 h VAL 110 Cb 0.92 2.26 0.00 0.00 -1.52 0.00 0.00 31.29 32.95 2ch0 h VAL 110 CO 0.00 0.60 0.00 -0.38 0.02 0.00 0.00 177.57 177.81 2ch0 n ILE 111 N -3.55 -1.53 -1.71 4.57 2.08 -1.26 -4.90 119.36 113.05 2ch0 n ILE 111 Ca -0.00 0.00 -0.42 0.00 0.56 0.00 0.00 62.75 62.89 2ch0 n ILE 111 Cb 0.67 -1.64 -0.00 0.00 -0.75 0.00 0.00 39.64 37.91 2ch0 n ILE 111 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 2ch0 n PRO 112 N 0.70 2.78 -3.78 0.38 -0.04 -1.26 -4.77 135.00 129.01 2ch0 n PRO 112 Ca 0.00 -2.57 0.03 0.00 -0.04 0.00 0.00 63.50 60.92 2ch0 n PRO 112 Cb 0.00 -3.27 0.00 0.00 -0.04 0.00 0.00 33.50 30.19 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 3.31 -0.01 0.00 3.54 0.01 -1.26 -5.04 113.70 114.25 2ch0 s SER 113 Ca 0.48 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.63 2ch0 s SER 113 Cb 0.14 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.46 2ch0 s SER 113 CO -0.08 -0.18 0.00 0.29 0.41 0.00 0.00 173.24 173.69 2ch0 n LYS 114 N -0.69 0.00 -2.52 12.44 5.02 -1.26 -4.93 118.16 126.22 2ch0 n LYS 114 Ca -0.03 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.94 2ch0 n LYS 114 Cb 0.61 -0.10 -0.04 0.00 -0.02 0.00 0.00 35.03 35.49 2ch0 n LYS 114 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2ch0 s VAL 115 N 0.00 4.58 -0.27 -0.18 -7.23 -1.26 -5.07 120.40 110.96 2ch0 s VAL 115 Ca 0.00 1.11 -0.26 0.00 -1.81 0.00 0.00 61.98 61.02 2ch0 s VAL 115 Cb 0.00 -3.72 0.00 0.00 0.56 0.00 0.00 36.38 33.23 2ch0 s VAL 115 CO 0.00 -0.63 0.92 0.86 -0.31 0.00 0.00 175.10 175.94 2ch0 s TRP 116 N -2.54 3.25 0.05 2.82 -0.11 -1.26 -5.05 118.94 116.10 2ch0 s TRP 116 Ca 0.57 1.15 -0.06 0.00 1.22 0.00 0.00 56.10 58.98 2ch0 s TRP 116 Cb -0.10 -3.28 -0.01 0.00 -1.50 0.00 0.00 33.47 28.57 2ch0 s TRP 116 CO 0.30 -0.54 0.11 -0.65 -4.62 0.00 0.00 176.95 171.55 2ch0 s GLN 117 N 3.13 0.67 0.00 5.86 -1.52 -1.26 -4.96 119.66 121.58 2ch0 s GLN 117 Ca 0.39 -0.88 0.00 0.00 -1.95 0.00 0.00 55.36 52.92 2ch0 s GLN 117 Cb -0.14 0.26 0.00 0.00 -0.22 0.00 0.00 33.01 32.91 2ch0 s GLN 117 CO 0.10 -0.18 0.00 0.41 -0.25 0.00 0.00 175.29 175.37 2ch0 n GLY 118 N 0.43 2.06 2.57 3.09 0.00 -1.26 -4.80 105.19 107.28 2ch0 n GLY 118 Ca -0.17 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 2ch0 n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ch0 n GLN 119 N 0.00 3.49 0.00 1.61 10.64 -1.26 -3.38 117.38 128.48 2ch0 n GLN 119 Ca 0.00 -2.71 0.00 0.00 -1.83 0.00 0.00 57.00 52.46 2ch0 n GLN 119 Cb 0.00 -2.98 0.00 0.00 -0.86 0.00 0.00 30.24 26.40 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 4.33 0.00 0.00 2.61 0.00 -1.26 -5.14 120.51 121.05 2ch0 n ALA 120 Ca 0.61 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.05 2ch0 n ALA 120 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 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 -1.79 0.00 -1.51 0.00 3.72 -1.22 -4.97 117.46 111.69 2ch0 n PHE 121 Ca 0.00 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.17 2ch0 n PHE 121 Cb 0.00 -0.47 0.11 0.00 -0.94 0.00 0.00 39.48 38.18 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 1.43 2.55 -1.11 1.38 1.44 -1.26 -4.90 115.22 114.74 2ch0 n HIS 122 Ca 0.00 -2.30 -0.33 0.00 -2.01 0.00 0.00 57.72 53.08 2ch0 n HIS 122 Cb 0.00 -0.87 -0.02 0.00 0.12 0.00 0.00 29.99 29.21 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 -0.96 7.11 0.00 2.39 7.94 -1.26 -1.69 117.00 130.53 2ch0 n LEU 123 Ca 0.51 -3.76 0.00 0.00 -1.11 0.00 0.00 56.01 51.64 2ch0 n LEU 123 Cb 0.99 -1.38 0.00 0.00 0.53 0.00 0.00 43.42 43.56 2ch0 n LEU 123 CO 0.52 1.41 0.00 0.47 -1.11 0.00 0.00 177.39 178.68 2ch0 n ASP 124 N 4.06 0.00 -3.18 1.96 8.00 -1.26 -4.93 116.55 121.20 2ch0 n ASP 124 Ca 0.64 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.82 2ch0 n ASP 124 Cb 0.21 0.29 -0.02 0.00 -0.02 0.00 0.00 41.12 41.58 2ch0 n ASP 124 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2ch0 n ARG 125 N -2.23 3.91 -3.98 -1.24 3.00 -0.68 -4.68 116.66 110.76 2ch0 n ARG 125 Ca 0.00 -4.80 -0.31 0.00 -0.01 0.00 0.00 57.85 52.73 2ch0 n ARG 125 Cb 0.00 -2.31 -0.15 0.00 0.00 0.00 0.00 32.46 30.00 2ch0 n ARG 125 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2ch0 s ARG 126 N -3.70 1.37 0.00 5.56 3.52 -1.18 -4.63 118.95 119.88 2ch0 s ARG 126 Ca 0.46 -1.75 0.00 0.00 -0.13 0.00 0.00 55.73 54.30 2ch0 s ARG 126 Cb 0.25 -3.02 0.00 0.00 -1.56 0.00 0.00 34.95 30.61 2ch0 s ARG 126 CO -0.13 -0.94 0.00 1.28 -0.81 0.00 0.00 175.30 174.70 2ch0 n LEU 127 N 4.34 0.00 -2.70 -0.88 4.32 -1.26 -4.88 117.00 115.94 2ch0 n LEU 127 Ca 0.03 0.00 -0.25 0.00 -0.02 0.00 0.00 56.01 55.77 2ch0 n LEU 127 Cb 0.42 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.13 2ch0 n LEU 127 CO 0.20 0.00 2.46 -0.62 -1.22 0.00 0.00 177.39 178.22 2ch0 n GLU 128 N 0.00 2.72 -4.02 3.23 4.71 -1.26 -4.88 120.64 121.14 2ch0 n GLU 128 Ca 0.00 -1.55 -0.28 0.00 -0.01 0.00 0.00 57.16 55.32 2ch0 n GLU 128 Cb 0.00 -2.38 -0.05 0.00 -1.01 0.00 0.00 31.44 28.00 2ch0 n GLU 128 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 2ch0 s ARG 129 N 1.78 3.09 -0.73 3.49 0.52 -1.26 -4.57 118.95 121.27 2ch0 s ARG 129 Ca 0.64 -0.71 -0.26 0.00 -0.52 0.00 0.00 55.73 54.87 2ch0 s ARG 129 Cb 0.23 -2.79 0.01 0.00 0.52 0.00 0.00 34.95 32.92 2ch0 s ARG 129 CO -0.03 0.52 1.49 -1.25 0.02 0.00 0.00 175.30 176.06 2ch0 s PRO 130 N -2.92 3.03 0.00 3.54 0.04 -1.26 -4.96 135.00 132.46 2ch0 s PRO 130 Ca 0.32 -0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.31 2ch0 s PRO 130 Cb -0.11 -4.36 0.00 0.00 0.04 0.00 0.00 34.50 30.06 2ch0 s PRO 130 CO 0.25 -2.38 0.00 0.72 0.04 0.00 0.00 177.00 175.63 2ch0 n HIS 131 N 10.53 0.00 -3.06 0.56 8.25 -1.26 -4.82 115.22 125.43 2ch0 n HIS 131 Ca 0.12 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.26 2ch0 n HIS 131 Cb 0.50 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.57 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 0.00 3.54 0.00 -0.41 1.74 -1.26 -4.82 116.66 115.44 2ch0 n ARG 132 Ca 0.00 -4.73 0.10 0.00 -0.77 0.00 0.00 57.85 52.44 2ch0 n ARG 132 Cb 0.00 -2.32 0.08 0.00 -1.02 0.00 0.00 32.46 29.20 2ch0 n ARG 132 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64