#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 5.52 0.06 1.61 0.15 -1.26 -5.04 113.70 114.75 2ch0 s SER 2 Ca 0.00 -1.05 -0.27 0.00 0.70 0.00 0.00 55.95 55.34 2ch0 s SER 2 Cb 0.00 -1.95 -0.17 0.00 -1.71 0.00 0.00 66.02 62.19 2ch0 s SER 2 CO 0.00 -0.35 1.55 -0.65 1.20 0.00 0.00 173.24 174.99 2ch0 h PRO 3 N 8.33 -0.34 0.00 5.44 0.11 -2.08 -3.50 132.00 139.96 2ch0 h PRO 3 Ca -0.25 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2ch0 h PRO 3 Cb 1.09 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2ch0 h PRO 3 CO 0.64 -0.14 0.00 0.39 -0.21 0.00 0.00 178.00 178.68 2ch0 n GLU 4 N -5.19 0.00 -0.31 1.05 1.02 -1.26 -4.34 120.64 111.61 2ch0 n GLU 4 Ca -0.10 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.16 2ch0 n GLU 4 Cb 0.20 0.00 0.28 0.00 -0.02 0.00 0.00 31.44 31.90 2ch0 n GLU 4 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 2ch0 n PHE 5 N -0.20 0.83 -1.49 -0.32 3.72 -1.26 -4.53 117.46 114.21 2ch0 n PHE 5 Ca 0.00 -0.44 -0.34 0.00 -0.05 0.00 0.00 57.45 56.62 2ch0 n PHE 5 Cb 0.00 -0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.59 2ch0 n PHE 5 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2ch0 n ARG 6 N 1.53 2.60 -3.52 -1.08 3.00 -1.26 -4.76 116.66 113.17 2ch0 n ARG 6 Ca 0.22 -3.12 -0.22 0.00 -0.01 0.00 0.00 57.85 54.73 2ch0 n ARG 6 Cb 0.60 -2.20 -0.01 0.00 0.00 0.00 0.00 32.46 30.85 2ch0 n ARG 6 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.63 179.30 2ch0 s TRP 7 N -3.55 2.24 0.31 -1.55 -2.14 -1.26 -5.06 118.94 107.94 2ch0 s TRP 7 Ca 0.57 -0.61 0.24 0.00 2.66 0.00 0.00 56.10 58.96 2ch0 s TRP 7 Cb 0.45 -2.13 1.17 0.00 -3.10 0.00 0.00 33.47 29.86 2ch0 s TRP 7 CO -0.16 -0.39 1.95 0.00 -2.66 0.00 0.00 176.95 175.69 2ch0 h THR 8 N 0.80 0.66 0.00 0.66 1.03 -1.98 -3.04 112.91 111.05 2ch0 h THR 8 Ca -0.38 -0.85 -0.08 0.00 -0.01 0.00 0.00 66.41 65.08 2ch0 h THR 8 Cb 1.28 1.54 -0.01 0.00 -1.07 0.00 0.00 68.15 69.89 2ch0 h THR 8 CO 0.54 0.19 -0.39 0.11 -0.01 0.00 0.00 175.52 175.95 2ch0 h LYS 9 N 0.00 0.00 0.00 0.00 1.57 -1.97 -3.22 116.57 112.96 2ch0 h LYS 9 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ch0 h LYS 9 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2ch0 h LYS 9 CO 0.03 0.39 0.18 1.49 -0.57 0.00 0.00 179.45 180.97 2ch0 h GLU 10 N 0.00 0.00 0.01 3.15 4.81 -1.83 0.19 114.58 120.92 2ch0 h GLU 10 Ca -0.00 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.02 2ch0 h GLU 10 Cb 0.85 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 2ch0 h GLU 10 CO 0.05 0.00 -0.90 0.93 -0.73 0.00 0.00 179.01 178.36 2ch0 h GLU 11 N 0.00 0.20 -0.08 1.92 4.39 -1.77 -3.13 114.58 116.11 2ch0 h GLU 11 Ca 0.00 -0.23 -0.24 0.00 0.34 0.00 0.00 59.36 59.24 2ch0 h GLU 11 Cb 0.36 0.07 0.01 0.00 -0.10 0.00 0.00 28.75 29.09 2ch0 h GLU 11 CO 0.00 0.97 -0.89 0.93 -1.16 0.00 0.00 179.01 178.87 2ch0 h GLU 12 N 0.11 0.68 -0.27 2.33 4.39 -1.16 -3.38 114.58 117.29 2ch0 h GLU 12 Ca -0.05 -0.63 -0.02 0.00 0.34 0.00 0.00 59.36 59.00 2ch0 h GLU 12 Cb 1.53 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 30.33 2ch0 h GLU 12 CO 0.14 1.24 0.10 1.49 -1.16 0.00 0.00 179.01 180.81 2ch0 h GLU 13 N 0.43 0.41 -0.36 2.33 4.57 -1.63 -3.39 114.58 116.93 2ch0 h GLU 13 Ca -0.08 -0.08 -0.09 0.00 -1.18 0.00 0.00 59.36 57.93 2ch0 h GLU 13 Cb 1.52 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 30.04 2ch0 h GLU 13 CO 0.17 0.46 -0.13 0.00 -1.18 0.00 0.00 179.01 178.33 2ch0 h THR 14 N 0.28 1.28 0.00 0.32 1.03 -1.71 -3.44 112.91 110.67 2ch0 h THR 14 Ca 0.09 -1.22 0.00 0.00 -0.01 0.00 0.00 66.41 65.27 2ch0 h THR 14 Cb 0.21 1.32 0.00 0.00 -1.07 0.00 0.00 68.15 68.61 2ch0 h THR 14 CO -0.01 0.40 0.00 0.54 -0.01 0.00 0.00 175.52 176.45 2ch0 n ARG 15 N -4.35 0.00 0.00 0.00 5.12 -1.26 -0.62 116.66 115.54 2ch0 n ARG 15 Ca -0.02 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.90 2ch0 n ARG 15 Cb 0.37 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.67 2ch0 n ARG 15 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2ch0 n GLN 16 N 0.00 0.27 0.04 5.56 6.02 -1.26 -4.93 117.38 123.08 2ch0 n GLN 16 Ca 0.00 -0.45 -0.07 0.00 -0.01 0.00 0.00 57.00 56.47 2ch0 n GLN 16 Cb 0.00 -0.60 0.10 0.00 1.02 0.00 0.00 30.24 30.76 2ch0 n GLN 16 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 2ch0 h MET 17 N 0.00 0.41 0.00 -1.09 2.86 -1.18 -3.31 114.93 112.62 2ch0 h MET 17 Ca 0.00 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 2ch0 h MET 17 Cb 0.69 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.38 2ch0 h MET 17 CO 0.00 0.84 0.00 0.10 1.06 0.00 0.00 176.91 178.91 2ch0 h TYR 18 N 0.32 0.00 -0.09 -0.22 -0.00 -1.91 -3.33 116.97 111.74 2ch0 h TYR 18 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.70 2ch0 h TYR 18 Cb 1.05 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.78 2ch0 h TYR 18 CO 0.03 0.00 -0.07 -0.44 -0.00 0.00 0.00 178.16 177.68 2ch0 h ASP 19 N 0.00 0.22 1.27 0.10 3.32 -1.93 -3.34 116.42 116.06 2ch0 h ASP 19 Ca 0.00 -0.46 -0.12 0.00 0.02 0.00 0.00 57.03 56.48 2ch0 h ASP 19 Cb 0.30 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 2ch0 h ASP 19 CO 0.00 0.63 -0.55 0.00 -1.72 0.00 0.00 179.24 177.60 2ch0 h MET 20 N -0.19 0.00 -0.08 3.56 -0.00 -1.82 -3.38 114.93 113.03 2ch0 h MET 20 Ca 0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.62 2ch0 h MET 20 Cb 0.56 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.15 2ch0 h MET 20 CO 0.02 0.55 -0.40 -0.39 -0.00 0.00 0.00 176.91 176.69 2ch0 h VAL 21 N 0.00 1.30 -0.90 -0.10 -1.51 -1.70 -3.33 116.25 110.02 2ch0 h VAL 21 Ca -0.01 -1.47 0.19 0.00 -1.23 0.00 0.00 66.70 64.19 2ch0 h VAL 21 Cb 1.33 1.69 -0.07 0.00 -2.13 0.00 0.00 31.29 32.12 2ch0 h VAL 21 CO 0.07 0.43 0.59 1.62 -1.23 0.00 0.00 177.57 179.05 2ch0 h VAL 22 N 0.14 0.70 -0.04 7.19 3.04 -1.74 0.28 116.25 125.82 2ch0 h VAL 22 Ca 0.01 -0.15 -0.18 0.00 -1.01 0.00 0.00 66.70 65.37 2ch0 h VAL 22 Cb 0.77 0.21 -0.01 0.00 -2.01 0.00 0.00 31.29 30.26 2ch0 h VAL 22 CO 0.06 0.08 -0.75 0.11 -1.01 0.00 0.00 177.57 176.06 2ch0 h LYS 23 N 0.45 0.26 0.03 4.17 6.56 -1.87 -3.36 116.57 122.81 2ch0 h LYS 23 Ca 0.47 -0.23 -0.27 0.00 -1.06 0.00 0.00 60.65 59.56 2ch0 h LYS 23 Cb 1.09 0.05 0.02 0.00 -0.57 0.00 0.00 32.23 32.83 2ch0 h LYS 23 CO -0.19 0.89 -1.09 0.82 -2.06 0.00 0.00 179.45 177.83 2ch0 h ILE 24 N 0.17 1.29 -0.62 1.86 2.04 -1.27 -3.33 117.51 117.66 2ch0 h ILE 24 Ca -0.03 -2.33 0.18 0.00 1.00 0.00 0.00 64.86 63.68 2ch0 h ILE 24 Cb 1.32 2.46 -0.02 0.00 -0.74 0.00 0.00 36.82 39.83 2ch0 h ILE 24 CO 0.12 0.71 0.45 0.16 0.00 0.00 0.00 178.15 179.59 2ch0 h ILE 25 N 0.35 0.67 0.00 -0.67 3.07 -0.67 0.59 117.51 120.85 2ch0 h ILE 25 Ca -0.14 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.26 2ch0 h ILE 25 Cb 1.74 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 -0.06 0.44 -1.05 0.00 0.00 178.15 177.69 2ch0 h ASP 26 N 0.00 0.00 0.07 2.16 3.32 -1.74 -3.23 116.42 116.99 2ch0 h ASP 26 Ca 0.29 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.34 2ch0 h ASP 26 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2ch0 h ASP 26 CO -0.00 0.06 -0.03 -0.37 -1.72 0.00 0.00 179.24 177.17 2ch0 h VAL 27 N 0.00 1.17 0.08 -1.35 -1.51 -1.07 -2.79 116.25 110.78 2ch0 h VAL 27 Ca -0.00 -0.88 -0.00 0.00 -1.23 0.00 0.00 66.70 64.59 2ch0 h VAL 27 Cb 0.35 1.73 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 2ch0 h VAL 27 CO 0.01 0.22 -0.04 -0.07 -1.23 0.00 0.00 177.57 176.45 2ch0 h LEU 28 N -0.50 -0.09 -1.97 4.19 -0.00 -1.71 -3.06 115.31 112.17 2ch0 h LEU 28 Ca -0.01 -0.42 0.19 0.00 -0.00 0.00 0.00 57.88 57.64 2ch0 h LEU 28 Cb 0.43 0.02 -0.03 0.00 -0.00 0.00 0.00 40.66 41.08 2ch0 h LEU 28 CO 0.02 0.40 0.54 0.03 -0.00 0.00 0.00 178.44 179.42 2ch0 h ARG 29 N -0.61 0.00 0.00 1.13 3.08 -1.70 0.40 114.38 116.68 2ch0 h ARG 29 Ca -0.01 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 2ch0 h ARG 29 Cb 0.51 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.56 2ch0 h ARG 29 CO 0.02 0.00 -0.36 0.77 -1.07 0.00 0.00 179.97 179.33 2ch0 h SER 30 N 0.00 0.31 -0.25 7.04 0.02 -1.54 -2.38 113.55 116.75 2ch0 h SER 30 Ca 0.31 -0.79 -0.13 0.00 -0.84 0.00 0.00 61.79 60.35 2ch0 h SER 30 Cb 1.38 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 2ch0 h SER 30 CO -0.00 1.06 -0.32 0.45 -1.14 0.00 0.00 176.83 176.88 2ch0 h HIS 31 N -0.40 0.89 -0.15 3.45 3.86 -1.38 -3.30 115.15 118.11 2ch0 h HIS 31 Ca -0.05 -0.23 -0.07 0.00 -1.16 0.00 0.00 60.37 58.86 2ch0 h HIS 31 Cb 1.12 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.37 2ch0 h HIS 31 CO 0.17 0.98 -0.23 -0.91 0.86 0.00 0.00 177.93 178.80 2ch0 h ASN 32 N 0.64 0.26 0.06 2.45 2.35 -0.98 -2.85 115.58 117.52 2ch0 h ASN 32 Ca 0.07 -0.07 -0.13 0.00 -0.55 0.00 0.00 56.30 55.62 2ch0 h ASN 32 Cb 0.85 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.14 2ch0 h ASN 32 CO 0.07 0.50 -0.42 1.05 -1.65 0.00 0.00 177.43 176.99 2ch0 h GLU 33 N 0.25 0.45 0.00 0.81 -0.00 -1.50 -2.99 114.58 111.59 2ch0 h GLU 33 Ca 0.04 -0.23 -0.16 0.00 -0.00 0.00 0.00 59.36 59.02 2ch0 h GLU 33 Cb 0.54 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.28 2ch0 h GLU 33 CO 0.04 0.79 -0.76 0.00 -0.00 0.00 0.00 179.01 179.07 2ch0 h ALA 34 N 1.19 0.72 -0.24 1.06 0.00 -1.73 -3.39 119.26 116.86 2ch0 h ALA 34 Ca 0.03 -0.69 0.07 0.00 0.00 0.00 0.00 54.91 54.32 2ch0 h ALA 34 Cb 0.89 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2ch0 h ALA 34 CO 0.07 0.95 0.20 0.00 0.00 0.00 0.00 179.25 180.47 2ch0 n GLN 36 N -4.20 0.06 0.00 0.00 -0.00 -1.23 -2.94 117.38 109.08 2ch0 n GLN 36 Ca 0.03 0.49 0.00 0.00 -0.00 0.00 0.00 57.00 57.52 2ch0 n GLN 36 Cb 0.35 -1.98 0.00 0.00 -0.00 0.00 0.00 30.24 28.60 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 -1.84 0.00 -3.52 2.61 2.13 -0.96 -3.44 120.64 115.62 2ch0 n GLU 37 Ca -0.01 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.40 2ch0 n GLU 37 Cb 0.28 -0.52 -0.07 0.00 0.27 0.00 0.00 31.44 31.41 2ch0 n GLU 37 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 2ch0 s ASN 38 N -4.67 5.90 0.11 4.31 0.01 -1.13 -4.91 114.94 114.57 2ch0 s ASN 38 Ca 0.00 -2.36 -0.01 0.00 -0.71 0.00 0.00 52.86 49.78 2ch0 s ASN 38 Cb 0.00 -2.04 0.25 0.00 0.41 0.00 0.00 41.25 39.88 2ch0 s ASN 38 CO 0.00 -0.59 0.60 2.29 -1.51 0.00 0.00 177.10 177.89 2ch0 n LYS 39 N 4.31 -0.03 -3.16 -0.60 -0.00 -1.23 -2.54 118.16 114.90 2ch0 n LYS 39 Ca 0.02 0.58 -0.11 0.00 -0.00 0.00 0.00 58.31 58.80 2ch0 n LYS 39 Cb 0.42 -0.90 -0.04 0.00 -0.00 0.00 0.00 35.03 34.51 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 -5.03 -0.15 0.18 -5.58 1.47 -1.26 -3.25 116.67 103.04 2ch0 s ASP 40 Ca -0.05 -1.69 0.18 0.00 1.18 0.00 0.00 52.55 52.17 2ch0 s ASP 40 Cb 0.11 1.10 0.81 0.00 -0.34 0.00 0.00 42.92 44.60 2ch0 s ASP 40 CO 0.30 -0.16 1.56 0.00 0.68 0.00 0.00 175.17 177.54 2ch0 n LEU 41 N 3.68 0.40 -2.24 2.11 -0.00 -1.05 -2.69 117.00 117.22 2ch0 n LEU 41 Ca 0.16 0.62 -0.30 0.00 -0.00 0.00 0.00 56.01 56.50 2ch0 n LEU 41 Cb 0.51 -0.60 0.12 0.00 -0.00 0.00 0.00 43.42 43.45 2ch0 n LEU 41 CO 0.04 -0.55 1.31 1.67 -0.00 0.00 0.00 177.39 179.86 2ch0 n GLN 42 N -1.97 2.55 -0.07 1.47 0.00 -1.26 -5.05 117.38 113.05 2ch0 n GLN 42 Ca 0.01 -3.23 0.20 0.00 -0.00 0.00 0.00 57.00 53.98 2ch0 n GLN 42 Cb 0.15 -2.23 0.31 0.00 0.00 0.00 0.00 30.24 28.47 2ch0 n GLN 42 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.06 174.76 2ch0 n PRO 43 N -0.99 0.02 -3.66 3.69 -0.02 -1.09 -4.01 135.00 128.92 2ch0 n PRO 43 Ca 0.60 0.99 -0.12 0.00 -2.02 0.00 0.00 63.50 62.95 2ch0 n PRO 43 Cb 1.03 -2.53 -0.08 0.00 -0.02 0.00 0.00 33.50 31.90 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 -4.30 -0.74 -0.05 6.00 1.51 -1.26 -4.60 117.35 113.90 2ch0 s TYR 44 Ca -0.02 1.72 0.05 0.00 -1.01 0.00 0.00 57.07 57.81 2ch0 s TYR 44 Cb 0.10 0.31 -0.01 0.00 -0.11 0.00 0.00 41.96 42.25 2ch0 s TYR 44 CO 0.34 -0.37 -0.21 -1.64 -1.11 0.00 0.00 175.55 172.56 2ch0 s MET 45 N 0.66 2.16 0.88 -0.62 -1.94 0.18 -5.01 119.30 115.61 2ch0 s MET 45 Ca -0.03 -0.76 -0.12 0.00 -1.71 0.00 0.00 55.69 53.07 2ch0 s MET 45 Cb -0.05 -1.86 0.12 0.00 2.01 0.00 0.00 34.83 35.05 2ch0 s MET 45 CO -0.04 0.32 1.13 -1.25 -0.01 0.00 0.00 175.02 175.17 2ch0 s PRO 46 N -0.09 1.44 0.17 2.03 0.04 -1.26 -0.98 135.00 136.34 2ch0 s PRO 46 Ca -0.03 0.38 -0.15 0.00 0.04 0.00 0.00 61.00 61.24 2ch0 s PRO 46 Cb -0.12 -1.87 0.11 0.00 0.04 0.00 0.00 34.50 32.66 2ch0 s PRO 46 CO 0.03 -2.01 1.73 0.82 0.04 0.00 0.00 177.00 177.60 2ch0 h ILE 47 N -1.37 0.79 0.00 0.56 2.04 -1.95 0.18 117.51 117.76 2ch0 h ILE 47 Ca -0.49 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.29 2ch0 h ILE 47 Cb 1.31 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 2ch0 h ILE 47 CO 0.61 0.04 0.33 -2.65 0.00 0.00 0.00 178.15 176.48 2ch0 n PRO 48 N -5.10 0.06 -0.32 2.37 -0.02 -1.26 -4.00 135.00 126.73 2ch0 n PRO 48 Ca 0.03 0.47 0.14 0.00 -2.02 0.00 0.00 63.50 62.12 2ch0 n PRO 48 Cb 0.18 -2.01 0.37 0.00 -0.02 0.00 0.00 33.50 32.03 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 0.90 -0.16 6.00 -0.00 -0.98 0.31 115.15 121.23 2ch0 h HIS 49 Ca 0.00 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.31 2ch0 h HIS 49 Cb 0.66 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.78 2ch0 h HIS 49 CO 0.00 0.23 -0.31 0.28 -0.00 0.00 0.00 177.93 178.14 2ch0 h VAL 50 N 0.68 1.27 -0.57 5.26 2.07 -1.77 -2.34 116.25 120.84 2ch0 h VAL 50 Ca 0.53 -1.30 0.15 0.00 0.82 0.00 0.00 66.70 66.90 2ch0 h VAL 50 Cb 0.94 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 32.17 2ch0 h VAL 50 CO -0.30 0.40 0.41 0.08 0.02 0.00 0.00 177.57 178.18 2ch0 h ARG 51 N 0.27 0.08 0.00 1.57 -0.00 -0.60 -1.21 114.38 114.49 2ch0 h ARG 51 Ca 0.04 -0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.01 2ch0 h ARG 51 Cb 0.68 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 30.64 2ch0 h ARG 51 CO 0.05 0.05 0.00 0.22 -0.00 0.00 0.00 179.97 180.29 2ch0 h ASP 52 N 0.08 0.00 0.04 0.08 3.58 -1.23 -3.33 116.42 115.64 2ch0 h ASP 52 Ca 0.27 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.40 2ch0 h ASP 52 Cb 0.98 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.99 2ch0 h ASP 52 CO -0.02 0.00 -1.82 -0.24 -2.88 0.00 0.00 179.24 174.27 2ch0 n SER 53 N -2.33 1.96 0.24 2.28 2.88 -0.50 -4.71 113.62 113.44 2ch0 n SER 53 Ca 0.03 0.29 0.09 0.00 -1.33 0.00 0.00 58.87 57.95 2ch0 n SER 53 Cb 0.29 -0.86 0.60 0.00 -0.75 0.00 0.00 64.21 63.49 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 -0.60 0.00 -7.56 2.46 -0.00 -1.54 -3.41 115.31 104.65 2ch0 h LEU 54 Ca -0.46 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.33 2ch0 h LEU 54 Cb 1.63 0.00 -0.16 0.00 -0.00 0.00 0.00 40.66 42.12 2ch0 h LEU 54 CO -0.16 0.19 -0.24 -0.63 -0.00 0.00 0.00 178.44 177.60 2ch0 s ILE 55 N -4.20 0.09 -0.17 0.15 -1.09 -1.26 -5.00 121.20 109.71 2ch0 s ILE 55 Ca -0.03 -0.72 -0.11 0.00 -2.23 0.00 0.00 60.65 57.56 2ch0 s ILE 55 Cb 0.13 -1.01 -0.23 0.00 -1.58 0.00 0.00 42.46 39.78 2ch0 s ILE 55 CO 0.63 -0.40 0.24 0.00 -1.23 0.00 0.00 174.94 174.18 2ch0 n GLN 56 N 0.42 0.68 0.00 2.79 1.13 -1.26 -4.59 117.38 116.55 2ch0 n GLN 56 Ca -0.18 0.35 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 2ch0 n GLN 56 Cb 0.60 -1.70 0.00 0.00 0.11 0.00 0.00 30.24 29.26 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 -3.80 0.92 0.18 -1.09 -0.04 -1.26 -4.77 135.00 125.15 2ch0 n PRO 57 Ca -0.34 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.16 2ch0 n PRO 57 Cb 0.92 0.00 0.32 0.00 -0.04 0.00 0.00 33.50 34.70 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 -0.06 0.54 3.86 -2.04 -3.15 115.15 114.30 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 0.40 0.00 -0.25 0.86 0.00 0.00 177.93 178.94 2ch0 n ASP 59 N -3.58 0.95 -0.30 2.45 8.00 -1.26 -4.51 116.55 118.30 2ch0 n ASP 59 Ca -0.00 -1.45 0.13 0.00 0.71 0.00 0.00 54.79 54.17 2ch0 n ASP 59 Cb 0.52 -0.03 0.29 0.00 -0.02 0.00 0.00 41.12 41.87 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 1.37 0.26 0.00 -1.24 -0.00 -1.80 -0.40 114.38 112.57 2ch0 h ARG 60 Ca 0.00 -0.02 -0.05 0.00 -0.00 0.00 0.00 59.98 59.91 2ch0 h ARG 60 Cb 0.30 -0.06 -0.01 0.00 -0.00 0.00 0.00 29.97 30.20 2ch0 h ARG 60 CO 0.00 0.17 -0.26 -0.22 -0.00 0.00 0.00 179.97 179.66 2ch0 h LYS 61 N 0.27 0.00 -0.76 0.08 3.11 -1.84 -3.35 116.57 114.07 2ch0 h LYS 61 Ca 0.54 0.00 0.21 0.00 -2.81 0.00 0.00 60.65 58.60 2ch0 h LYS 61 Cb 1.07 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.27 2ch0 h LYS 61 CO -0.60 0.26 0.54 -0.22 -2.81 0.00 0.00 179.45 176.62 2ch0 h LYS 62 N 0.00 0.06 -0.30 1.90 3.11 -1.38 -0.68 116.57 119.28 2ch0 h LYS 62 Ca -0.00 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 2ch0 h LYS 62 Cb 0.74 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.96 2ch0 h LYS 62 CO 0.03 0.04 0.00 -1.33 -2.81 0.00 0.00 179.45 175.38 2ch0 n MET 63 N -4.34 2.31 0.05 1.90 2.81 -1.26 -4.21 117.12 114.38 2ch0 n MET 63 Ca 0.15 -1.90 -0.07 0.00 -1.81 0.00 0.00 57.70 54.07 2ch0 n MET 63 Cb 0.79 -1.29 0.09 0.00 -0.71 0.00 0.00 33.22 32.10 2ch0 n MET 63 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2ch0 h LYS 64 N 2.36 0.37 -0.23 0.03 3.64 -1.26 -1.81 116.57 119.67 2ch0 h LYS 64 Ca 0.00 -0.25 0.03 0.00 -1.27 0.00 0.00 60.65 59.16 2ch0 h LYS 64 Cb 0.70 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.53 2ch0 h LYS 64 CO 0.00 0.86 0.06 -0.22 -2.27 0.00 0.00 179.45 177.88 2ch0 h LYS 65 N 0.28 0.16 0.00 1.90 1.63 -1.69 -0.90 116.57 117.95 2ch0 h LYS 65 Ca -0.00 -0.01 -0.19 0.00 -0.85 0.00 0.00 60.65 59.60 2ch0 h LYS 65 Cb 1.11 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.70 2ch0 h LYS 65 CO 0.10 0.11 -0.86 -0.24 -3.45 0.00 0.00 179.45 175.11 2ch0 h VAL 66 N 0.16 1.51 -0.64 2.00 3.04 -1.78 -3.24 116.25 117.31 2ch0 h VAL 66 Ca 0.10 -2.64 0.03 0.00 -1.01 0.00 0.00 66.70 63.18 2ch0 h VAL 66 Cb 0.09 2.47 -0.04 0.00 -2.01 0.00 0.00 31.29 31.80 2ch0 h VAL 66 CO -0.12 0.77 0.42 -0.25 -1.01 0.00 0.00 177.57 177.38 2ch0 h TRP 67 N 0.09 0.72 -0.92 3.17 2.91 -1.17 0.44 115.95 121.18 2ch0 h TRP 67 Ca -0.04 0.02 0.11 0.00 1.13 0.00 0.00 58.89 60.11 2ch0 h TRP 67 Cb 1.49 -0.24 -0.08 0.00 -0.51 0.00 0.00 29.16 29.81 2ch0 h TRP 67 CO 0.02 0.42 0.56 -0.44 -1.03 0.00 0.00 178.44 177.97 2ch0 h ASP 68 N 0.75 0.81 0.02 2.65 3.32 -1.19 0.35 116.42 123.13 2ch0 h ASP 68 Ca 0.25 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.28 2ch0 h ASP 68 Cb 0.08 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 39.52 2ch0 h ASP 68 CO -0.07 0.45 -0.28 -0.09 -1.72 0.00 0.00 179.24 177.52 2ch0 h ARG 69 N 0.90 0.16 -0.40 3.56 9.65 -1.61 -3.37 114.38 123.27 2ch0 h ARG 69 Ca 0.45 -0.19 0.09 0.00 -1.10 0.00 0.00 59.98 59.22 2ch0 h ARG 69 Cb 0.42 0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.04 2ch0 h ARG 69 CO -0.26 0.98 0.28 0.00 2.80 0.00 0.00 179.97 183.77 2ch0 h ALA 70 N 0.18 2.18 -0.86 2.80 0.00 0.20 -1.93 119.26 121.83 2ch0 h ALA 70 Ca -0.04 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.00 2ch0 h ALA 70 Cb 1.10 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.80 2ch0 h ALA 70 CO 0.05 -0.28 0.56 0.28 0.00 0.00 0.00 179.25 179.86 2ch0 h VAL 71 N 0.15 0.84 -0.45 0.00 2.07 -0.47 -2.50 116.25 115.89 2ch0 h VAL 71 Ca 0.19 -0.22 -0.12 0.00 0.82 0.00 0.00 66.70 67.36 2ch0 h VAL 71 Cb 0.54 0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2ch0 h VAL 71 CO -0.03 0.12 -0.18 -0.78 0.02 0.00 0.00 177.57 176.72 2ch0 h ASP 72 N 0.66 0.94 0.41 0.57 3.58 -1.52 -1.17 116.42 119.88 2ch0 h ASP 72 Ca 0.42 -0.39 -0.02 0.00 0.42 0.00 0.00 57.03 57.47 2ch0 h ASP 72 Cb 0.70 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.50 2ch0 h ASP 72 CO -0.18 1.12 -0.19 0.15 -2.88 0.00 0.00 179.24 177.25 2ch0 h PHE 73 N 0.76 -0.50 -0.96 0.28 3.57 -1.65 -3.33 116.94 115.10 2ch0 h PHE 73 Ca 0.11 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.77 2ch0 h PHE 73 Cb 0.74 0.17 -0.09 0.00 2.79 0.00 0.00 35.95 39.56 2ch0 h PHE 73 CO 0.05 -0.21 0.61 1.25 -2.23 0.00 0.00 178.31 177.78 2ch0 h LEU 74 N -0.74 0.69 -0.49 0.59 6.46 -1.41 -2.25 115.31 118.16 2ch0 h LEU 74 Ca -0.06 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 2ch0 h LEU 74 Cb 0.52 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.38 2ch0 h LEU 74 CO 0.09 0.29 0.00 0.00 -0.62 0.00 0.00 178.44 178.20 2ch0 n ALA 75 N -2.40 1.52 1.17 1.25 0.00 -0.45 -3.12 120.51 118.49 2ch0 n ALA 75 Ca 0.21 0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.82 2ch0 n ALA 75 Cb 0.55 -1.29 0.34 0.00 0.00 0.00 0.00 19.45 19.05 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 3.22 -0.15 0.00 0.00 -0.85 -3.91 120.51 117.17 2ch0 n ALA 76 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.07 2ch0 n ALA 76 Cb 0.16 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.92 1.73 -0.07 0.00 0.23 -1.18 -4.61 115.26 110.44 2ch0 n ASN 77 Ca 0.10 -1.87 0.00 0.00 -0.53 0.00 0.00 54.58 52.28 2ch0 n ASN 77 Cb 0.34 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.04 2ch0 n ASN 77 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2ch0 n GLU 78 N -0.44 -0.21 -4.49 -3.83 1.02 -1.22 -5.07 120.64 106.40 2ch0 n GLU 78 Ca 0.00 0.16 -0.34 0.00 -0.02 0.00 0.00 57.16 56.96 2ch0 n GLU 78 Cb 0.29 -0.17 -0.12 0.00 -0.02 0.00 0.00 31.44 31.42 2ch0 n GLU 78 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2ch0 s SER 79 N -1.70 4.76 -0.15 1.62 1.04 -1.26 -4.88 113.70 113.13 2ch0 s SER 79 Ca 0.00 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.36 2ch0 s SER 79 Cb 0.00 -1.55 0.16 0.00 0.10 0.00 0.00 66.02 64.73 2ch0 s SER 79 CO 0.00 0.25 1.58 0.54 0.98 0.00 0.00 173.24 176.60 2ch0 n ARG 80 N 2.97 1.40 -3.55 4.02 1.74 -1.26 -4.64 116.66 117.34 2ch0 n ARG 80 Ca -0.18 -0.87 -0.17 0.00 -0.77 0.00 0.00 57.85 55.87 2ch0 n ARG 80 Cb 0.53 -1.34 -0.06 0.00 -1.02 0.00 0.00 32.46 30.57 2ch0 n ARG 80 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2ch0 s VAL 81 N -1.10 0.01 0.11 1.55 -7.23 -1.26 -4.92 120.40 107.56 2ch0 s VAL 81 Ca 0.17 -0.08 0.10 0.00 -1.81 0.00 0.00 61.98 60.37 2ch0 s VAL 81 Cb 0.14 -0.95 -0.04 0.00 0.56 0.00 0.00 36.38 36.09 2ch0 s VAL 81 CO 0.02 -0.04 -0.26 0.00 -0.31 0.00 0.00 175.10 174.50 2ch0 s ARG 82 N -1.44 1.46 -0.44 4.82 1.70 -0.10 -4.91 118.95 120.04 2ch0 s ARG 82 Ca -0.10 -1.27 -0.23 0.00 -0.47 0.00 0.00 55.73 53.66 2ch0 s ARG 82 Cb -0.01 -1.86 0.02 0.00 -0.57 0.00 0.00 34.95 32.53 2ch0 s ARG 82 CO 0.07 0.45 0.76 0.99 -1.08 0.00 0.00 175.30 176.49 2ch0 s THR 83 N -1.01 4.68 0.11 4.99 2.01 -1.26 -1.34 115.64 123.82 2ch0 s THR 83 Ca 0.13 0.41 0.08 0.00 0.31 0.00 0.00 61.69 62.62 2ch0 s THR 83 Cb -0.10 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.08 2ch0 s THR 83 CO 0.05 -0.68 -0.16 -0.70 -0.69 0.00 0.00 174.62 172.45 2ch0 s GLU 84 N 3.20 1.91 -0.41 4.92 2.12 -0.63 -4.92 118.70 124.89 2ch0 s GLU 84 Ca 0.29 -1.11 -0.19 0.00 0.36 0.00 0.00 54.97 54.31 2ch0 s GLU 84 Cb -0.12 -2.18 0.02 0.00 0.26 0.00 0.00 34.13 32.10 2ch0 s GLU 84 CO 0.22 0.49 0.54 0.99 -0.54 0.00 0.00 175.26 176.96 2ch0 s THR 85 N -1.14 4.96 -0.01 -1.70 2.01 -1.26 -1.33 115.64 117.18 2ch0 s THR 85 Ca 0.19 -0.00 -0.06 0.00 0.31 0.00 0.00 61.69 62.12 2ch0 s THR 85 Cb -0.11 -4.09 0.00 0.00 0.01 0.00 0.00 72.50 68.32 2ch0 s THR 85 CO 0.11 -0.45 0.13 -0.60 -0.69 0.00 0.00 174.62 173.12 2ch0 s ARG 86 N 2.48 0.42 -0.30 4.92 6.06 -0.29 -4.90 118.95 127.35 2ch0 s ARG 86 Ca 0.18 -0.32 -0.29 0.00 -2.50 0.00 0.00 55.73 52.80 2ch0 s ARG 86 Cb -0.15 0.18 -0.00 0.00 0.06 0.00 0.00 34.95 35.03 2ch0 s ARG 86 CO 0.16 -0.10 1.38 0.50 -2.50 0.00 0.00 175.30 174.74 2ch0 s ARG 87 N -1.16 3.85 -0.30 5.12 3.52 -1.26 -1.12 118.95 127.60 2ch0 s ARG 87 Ca -0.13 1.30 0.03 0.00 -0.13 0.00 0.00 55.73 56.81 2ch0 s ARG 87 Cb -0.07 -3.93 0.08 0.00 -1.56 0.00 0.00 34.95 29.47 2ch0 s ARG 87 CO 0.01 -1.21 -0.02 0.42 -0.81 0.00 0.00 175.30 173.69 2ch0 s ILE 88 N 4.68 2.27 -1.06 4.11 -1.09 0.13 -4.71 121.20 125.52 2ch0 s ILE 88 Ca 0.60 -1.98 0.00 0.00 -2.23 0.00 0.00 60.65 57.04 2ch0 s ILE 88 Cb -0.18 -2.51 0.00 0.00 -1.58 0.00 0.00 42.46 38.19 2ch0 s ILE 88 CO 0.25 -0.32 0.00 0.61 -1.23 0.00 0.00 174.94 174.25 2ch0 n GLY 89 N 4.35 0.55 0.70 6.18 0.00 -1.26 -2.90 105.19 112.81 2ch0 n GLY 89 Ca -0.05 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.30 0.82 2.88 -0.02 0.00 -1.26 -5.09 105.19 101.22 2ch0 n GLY 90 Ca -0.12 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 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 0.24 -0.49 4.61 0.00 -1.14 -5.09 121.76 117.89 2ch0 s ALA 91 Ca 0.00 -0.02 -0.28 0.00 0.00 0.00 0.00 51.96 51.66 2ch0 s ALA 91 Cb 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 23.12 23.02 2ch0 s ALA 91 CO 0.00 0.02 1.08 0.16 0.00 0.00 0.00 175.76 177.01 2ch0 s ASP 92 N 0.26 6.56 0.39 0.00 -4.77 -1.26 0.21 116.67 118.06 2ch0 s ASP 92 Ca -0.02 0.29 0.07 0.00 -3.30 0.00 0.00 52.55 49.59 2ch0 s ASP 92 Cb -0.05 -2.52 -0.08 0.00 -1.09 0.00 0.00 42.92 39.19 2ch0 s ASP 92 CO -0.01 -1.22 -0.01 -0.36 0.70 0.00 0.00 175.17 174.27 2ch0 s PHE 93 N 4.29 2.47 -0.43 2.11 0.08 -0.27 -4.81 117.98 121.42 2ch0 s PHE 93 Ca 0.44 -0.64 -0.21 0.00 0.12 0.00 0.00 56.93 56.63 2ch0 s PHE 93 Cb -0.08 -1.67 0.02 0.00 -0.57 0.00 0.00 43.02 40.72 2ch0 s PHE 93 CO 0.29 0.46 0.65 -0.51 -0.10 0.00 0.00 175.22 176.02 2ch0 s LEU 94 N -3.68 4.45 0.11 -0.37 1.02 -1.26 -1.14 118.68 117.81 2ch0 s LEU 94 Ca 0.34 -0.26 0.10 0.00 0.02 0.00 0.00 54.13 54.33 2ch0 s LEU 94 Cb 0.08 -2.76 -0.04 0.00 0.02 0.00 0.00 46.19 43.50 2ch0 s LEU 94 CO 0.18 -0.77 -0.25 0.54 0.02 0.00 0.00 176.35 176.06 2ch0 s VAL 95 N 2.85 2.10 -0.20 -1.59 0.11 -0.44 -4.34 120.40 118.89 2ch0 s VAL 95 Ca 0.23 -1.64 -0.09 0.00 -2.93 0.00 0.00 61.98 57.56 2ch0 s VAL 95 Cb -0.14 -1.86 -0.05 0.00 -1.53 0.00 0.00 36.38 32.81 2ch0 s VAL 95 CO 0.19 0.11 0.10 0.26 -3.33 0.00 0.00 175.10 172.43 2ch0 s TRP 96 N -1.03 3.32 0.05 1.54 0.51 -0.15 -1.61 118.94 121.56 2ch0 s TRP 96 Ca 0.12 0.18 -0.02 0.00 -2.12 0.00 0.00 56.10 54.26 2ch0 s TRP 96 Cb -0.10 -2.14 -0.03 0.00 -0.81 0.00 0.00 33.47 30.38 2ch0 s TRP 96 CO 0.05 0.18 -0.01 -0.98 -0.51 0.00 0.00 176.95 175.68 2ch0 s ARG 97 N 0.51 0.59 0.08 4.98 1.70 -0.45 -0.65 118.95 125.70 2ch0 s ARG 97 Ca 0.06 -1.09 0.08 0.00 -0.47 0.00 0.00 55.73 54.31 2ch0 s ARG 97 Cb -0.12 0.21 -0.03 0.00 -0.57 0.00 0.00 34.95 34.44 2ch0 s ARG 97 CO 0.00 -0.12 -0.22 1.67 -1.08 0.00 0.00 175.30 175.55 2ch0 s TRP 98 N -3.52 1.92 -0.48 5.89 -0.00 -1.26 -0.93 118.94 120.56 2ch0 s TRP 98 Ca 0.03 -0.39 -0.16 0.00 -0.00 0.00 0.00 56.10 55.57 2ch0 s TRP 98 Cb 0.05 -1.10 0.07 0.00 -0.00 0.00 0.00 33.47 32.49 2ch0 s TRP 98 CO -0.09 0.17 0.46 0.96 -0.00 0.00 0.00 176.95 178.45 2ch0 s ILE 99 N -0.96 5.13 -0.27 0.66 -0.00 -1.26 -4.68 121.20 119.82 2ch0 s ILE 99 Ca 0.08 -0.91 -0.04 0.00 -0.00 0.00 0.00 60.65 59.79 2ch0 s ILE 99 Cb -0.09 -4.18 0.02 0.00 -0.00 0.00 0.00 42.46 38.21 2ch0 s ILE 99 CO 0.03 -0.64 0.00 -1.10 -0.00 0.00 0.00 174.94 173.23 2ch0 s GLN 100 N 1.92 2.90 0.82 0.37 -1.52 -1.20 -5.06 119.66 117.89 2ch0 s GLN 100 Ca 0.07 -0.96 -0.12 0.00 -1.95 0.00 0.00 55.36 52.41 2ch0 s GLN 100 Cb -0.23 -3.16 0.08 0.00 -0.22 0.00 0.00 33.01 29.48 2ch0 s GLN 100 CO 0.08 -0.44 1.10 -2.14 -0.25 0.00 0.00 175.29 173.64 2ch0 s PRO 101 N 1.39 1.90 0.00 2.91 0.02 -1.26 -4.87 135.00 135.09 2ch0 s PRO 101 Ca 0.01 0.63 0.00 0.00 0.02 0.00 0.00 61.00 61.66 2ch0 s PRO 101 Cb -0.17 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.45 2ch0 s PRO 101 CO -0.01 -1.74 0.01 0.43 -0.33 0.00 0.00 177.00 175.35 2ch0 n SER 102 N -3.51 0.00 -2.94 2.53 7.64 -1.26 -4.76 113.62 111.32 2ch0 n SER 102 Ca 0.07 -0.24 -0.23 0.00 1.01 0.00 0.00 58.87 59.48 2ch0 n SER 102 Cb 0.56 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.72 2ch0 n SER 102 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ch0 n ALA 103 N 1.29 5.43 1.05 -0.43 0.00 -1.22 -4.31 120.51 122.32 2ch0 n ALA 103 Ca 0.00 -2.18 0.11 0.00 0.00 0.00 0.00 53.44 51.37 2ch0 n ALA 103 Cb 0.00 -2.91 0.07 0.00 0.00 0.00 0.00 19.45 16.61 2ch0 n ALA 103 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ch0 n SER 104 N 3.64 1.35 -0.04 0.00 2.88 -1.26 -2.84 113.62 117.35 2ch0 n SER 104 Ca 0.49 -1.09 -0.03 0.00 -1.33 0.00 0.00 58.87 56.91 2ch0 n SER 104 Cb 0.29 0.53 -0.07 0.00 -0.75 0.00 0.00 64.21 64.21 2ch0 n SER 104 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ch0 n ASP 106 N -2.27 3.92 -4.78 0.00 8.00 -1.26 -5.09 116.55 115.07 2ch0 n ASP 106 Ca -0.13 -3.54 -0.29 0.00 0.71 0.00 0.00 54.79 51.54 2ch0 n ASP 106 Cb 0.73 -0.52 0.12 0.00 -0.02 0.00 0.00 41.12 41.43 2ch0 n ASP 106 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2ch0 s LYS 107 N -3.36 1.37 0.09 -1.24 0.00 -1.13 -4.86 119.74 110.60 2ch0 s LYS 107 Ca 0.46 0.19 -0.13 0.00 0.00 0.00 0.00 55.97 56.49 2ch0 s LYS 107 Cb 0.35 -1.87 -0.17 0.00 0.00 0.00 0.00 37.83 36.14 2ch0 s LYS 107 CO -0.14 -2.02 1.28 0.97 0.00 0.00 0.00 175.35 175.44 2ch0 h ILE 108 N -1.37 1.28 0.00 3.79 6.09 -1.85 -3.47 117.51 121.97 2ch0 h ILE 108 Ca -0.49 -2.02 0.00 0.00 -1.37 0.00 0.00 64.86 60.99 2ch0 h ILE 108 Cb 1.33 2.06 0.00 0.00 0.47 0.00 0.00 36.82 40.68 2ch0 h ILE 108 CO 0.62 0.64 0.00 0.00 -3.07 0.00 0.00 178.15 176.34 2ch0 n LEU 109 N -3.93 0.00 -0.49 2.19 -0.00 -1.26 -5.07 117.00 108.43 2ch0 n LEU 109 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.93 2ch0 n LEU 109 Cb 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.19 2ch0 n LEU 109 CO 0.53 0.00 0.00 0.52 -0.00 0.00 0.00 177.39 178.44 2ch0 n VAL 110 N 0.00 -0.99 -3.03 1.47 0.31 -1.26 -5.07 118.33 109.75 2ch0 n VAL 110 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.94 2ch0 n VAL 110 Cb 0.00 -1.36 -0.06 0.00 -0.91 0.00 0.00 33.84 31.51 2ch0 n VAL 110 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 2ch0 s ILE 111 N 0.00 4.53 0.95 2.52 1.01 -1.26 -5.07 121.20 123.88 2ch0 s ILE 111 Ca 0.00 1.60 -0.13 0.00 0.00 0.00 0.00 60.65 62.11 2ch0 s ILE 111 Cb 0.00 -4.09 0.16 0.00 0.01 0.00 0.00 42.46 38.54 2ch0 s ILE 111 CO 0.00 0.49 1.15 -2.16 0.00 0.00 0.00 174.94 174.42 2ch0 s PRO 112 N -0.86 0.80 0.00 2.79 0.04 -1.26 -4.54 135.00 131.97 2ch0 s PRO 112 Ca 0.35 0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.57 2ch0 s PRO 112 Cb -0.22 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2ch0 s PRO 112 CO 0.24 -2.41 0.00 -1.13 0.04 0.00 0.00 177.00 173.75 2ch0 n SER 113 N -3.89 -0.68 -3.65 6.66 3.41 -1.26 -5.02 113.62 109.19 2ch0 n SER 113 Ca 0.08 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.26 2ch0 n SER 113 Cb 0.59 -0.11 -0.05 0.00 -0.26 0.00 0.00 64.21 64.38 2ch0 n SER 113 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2ch0 n LYS 114 N -2.23 1.77 -0.66 4.33 4.76 -1.26 -4.56 118.16 120.31 2ch0 n LYS 114 Ca 0.00 -2.00 0.00 0.00 -2.87 0.00 0.00 58.31 53.44 2ch0 n LYS 114 Cb 0.00 -3.00 0.00 0.00 -1.84 0.00 0.00 35.03 30.19 2ch0 n LYS 114 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 2ch0 n VAL 115 N 5.84 -2.76 -0.02 -0.18 0.24 -1.26 -4.54 118.33 115.65 2ch0 n VAL 115 Ca 0.50 0.98 -0.02 0.00 -2.04 0.00 0.00 64.34 63.76 2ch0 n VAL 115 Cb 0.40 -1.54 -0.02 0.00 -1.47 0.00 0.00 33.84 31.21 2ch0 n VAL 115 CO 0.00 0.00 0.00 1.87 -2.14 0.00 0.00 176.83 176.56 2ch0 n TRP 116 N -0.66 0.00 0.00 6.34 -0.00 -1.26 -5.10 117.44 116.75 2ch0 n TRP 116 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 2ch0 n TRP 116 Cb 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 31.31 31.16 2ch0 n TRP 116 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 177.69 178.63 2ch0 n GLN 117 N -2.41 0.00 -1.56 5.87 0.00 -1.26 -5.07 117.38 112.94 2ch0 n GLN 117 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.94 2ch0 n GLN 117 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.82 2ch0 n GLN 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2ch0 n GLY 118 N 1.77 0.56 3.37 1.69 0.00 -1.26 -5.11 105.19 106.22 2ch0 n GLY 118 Ca 0.00 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 2ch0 n GLY 118 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2ch0 s GLN 119 N -3.08 0.50 0.00 1.61 -2.07 -1.26 -5.02 119.66 110.33 2ch0 s GLN 119 Ca 0.00 0.85 0.26 0.00 -1.82 0.00 0.00 55.36 54.66 2ch0 s GLN 119 Cb 0.00 0.08 0.71 0.00 -1.09 0.00 0.00 33.01 32.71 2ch0 s GLN 119 CO 0.00 -0.14 1.54 0.00 -1.32 0.00 0.00 175.29 175.38 2ch0 n ALA 120 N 3.95 2.89 -3.66 2.60 0.00 -1.26 -4.66 120.51 120.37 2ch0 n ALA 120 Ca -0.20 -0.48 -0.35 0.00 0.00 0.00 0.00 53.44 52.41 2ch0 n ALA 120 Cb 0.56 -1.07 -0.14 0.00 0.00 0.00 0.00 19.45 18.80 2ch0 n ALA 120 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2ch0 s PHE 121 N -2.26 3.23 0.33 0.00 0.08 -1.26 -5.12 117.98 112.98 2ch0 s PHE 121 Ca 0.29 -1.83 0.07 0.00 0.12 0.00 0.00 56.93 55.58 2ch0 s PHE 121 Cb 0.20 -2.09 -0.01 0.00 -0.57 0.00 0.00 43.02 40.54 2ch0 s PHE 121 CO 0.44 -0.79 0.46 -1.01 -0.10 0.00 0.00 175.22 174.21 2ch0 s HIS 122 N 1.26 3.11 0.35 0.36 3.76 -1.26 -5.07 115.29 117.81 2ch0 s HIS 122 Ca -0.05 -0.22 0.04 0.00 -0.15 0.00 0.00 55.06 54.69 2ch0 s HIS 122 Cb -0.19 -1.98 -0.03 0.00 1.11 0.00 0.00 32.58 31.48 2ch0 s HIS 122 CO -0.02 0.00 0.17 -0.51 -0.85 0.00 0.00 174.74 173.54 2ch0 s LEU 123 N -4.17 1.83 0.24 0.89 1.02 -1.26 -5.08 118.68 112.15 2ch0 s LEU 123 Ca 0.45 -1.65 -0.17 0.00 0.02 0.00 0.00 54.13 52.77 2ch0 s LEU 123 Cb -0.09 0.15 -0.08 0.00 0.02 0.00 0.00 46.19 46.19 2ch0 s LEU 123 CO 0.31 -0.95 0.70 1.51 0.02 0.00 0.00 176.35 177.94 2ch0 s ASP 124 N -3.47 6.94 -1.28 2.29 -4.77 -1.26 -4.75 116.67 110.37 2ch0 s ASP 124 Ca 0.32 1.32 -0.07 0.00 -3.30 0.00 0.00 52.55 50.82 2ch0 s ASP 124 Cb 0.03 -2.38 0.16 0.00 -1.09 0.00 0.00 42.92 39.64 2ch0 s ASP 124 CO 0.19 -0.02 2.08 -2.11 0.70 0.00 0.00 175.17 176.01 2ch0 n ARG 125 N 0.45 4.20 -3.97 2.11 1.85 -1.26 -4.46 116.66 115.58 2ch0 n ARG 125 Ca -0.01 -3.61 -0.34 0.00 -1.00 0.00 0.00 57.85 52.88 2ch0 n ARG 125 Cb 0.52 -2.74 -0.14 0.00 -1.05 0.00 0.00 32.46 29.04 2ch0 n ARG 125 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2ch0 s ARG 126 N -0.73 2.69 -0.04 2.89 0.52 -1.26 -5.09 118.95 117.92 2ch0 s ARG 126 Ca 0.46 -1.08 0.01 0.00 -0.52 0.00 0.00 55.73 54.60 2ch0 s ARG 126 Cb 0.14 -3.00 0.02 0.00 0.52 0.00 0.00 34.95 32.62 2ch0 s ARG 126 CO -0.04 -0.46 -0.06 -0.51 0.02 0.00 0.00 175.30 174.26 2ch0 s LEU 127 N 1.28 1.40 -0.25 2.53 1.02 -1.26 -4.83 118.68 118.57 2ch0 s LEU 127 Ca -0.02 -0.15 -0.18 0.00 0.02 0.00 0.00 54.13 53.81 2ch0 s LEU 127 Cb -0.18 -0.49 -0.03 0.00 0.02 0.00 0.00 46.19 45.52 2ch0 s LEU 127 CO -0.04 -0.04 0.51 -1.61 0.02 0.00 0.00 176.35 175.19 2ch0 s GLU 128 N 0.83 4.08 -0.21 1.70 0.41 -1.26 -5.08 118.70 119.18 2ch0 s GLU 128 Ca -0.12 0.32 -0.14 0.00 -0.41 0.00 0.00 54.97 54.62 2ch0 s GLU 128 Cb -0.14 -3.64 -0.04 0.00 -1.78 0.00 0.00 34.13 28.52 2ch0 s GLU 128 CO 0.01 -0.32 0.30 1.03 -0.49 0.00 0.00 175.26 175.79 2ch0 s ARG 129 N 2.20 4.16 0.00 1.61 0.52 -1.26 -4.99 118.95 121.18 2ch0 s ARG 129 Ca 0.21 0.02 0.20 0.00 -0.52 0.00 0.00 55.73 55.65 2ch0 s ARG 129 Cb -0.16 -3.51 1.05 0.00 0.52 0.00 0.00 34.95 32.85 2ch0 s ARG 129 CO 0.09 0.05 1.70 -0.35 0.02 0.00 0.00 175.30 176.81 2ch0 n PRO 130 N 4.23 1.22 -2.27 3.54 -0.04 -1.26 -3.64 135.00 136.78 2ch0 n PRO 130 Ca -0.11 -0.34 -0.20 0.00 -0.04 0.00 0.00 63.50 62.82 2ch0 n PRO 130 Cb 0.52 -1.34 0.02 0.00 -0.04 0.00 0.00 33.50 32.66 2ch0 n PRO 130 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2ch0 n HIS 131 N -0.46 2.53 -2.74 0.54 8.25 -1.26 -5.06 115.22 117.02 2ch0 n HIS 131 Ca 0.15 -2.39 -0.43 0.00 -0.26 0.00 0.00 57.72 54.80 2ch0 n HIS 131 Cb 0.15 -0.28 -0.03 0.00 1.12 0.00 0.00 29.99 30.95 2ch0 n HIS 131 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2ch0 s ARG 132 N -3.60 3.40 0.00 -0.41 3.52 -1.24 -5.29 118.95 115.33 2ch0 s ARG 132 Ca 0.45 -0.07 0.00 0.00 -0.13 0.00 0.00 55.73 55.98 2ch0 s ARG 132 Cb 0.40 -4.04 0.00 0.00 -1.56 0.00 0.00 34.95 29.75 2ch0 s ARG 132 CO -0.01 -1.57 0.00 -3.47 -0.81 0.00 0.00 175.30 169.44