#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 1.01 1.61 0.01 -1.26 -5.20 113.70 109.71 2ch0 s SER 2 Ca 0.00 -0.03 -0.03 0.00 1.31 0.00 0.00 55.95 57.20 2ch0 s SER 2 Cb 0.00 0.18 0.05 0.00 0.21 0.00 0.00 66.02 66.46 2ch0 s SER 2 CO 0.00 -0.30 0.25 -2.65 0.41 0.00 0.00 173.24 170.95 2ch0 n PRO 3 N -0.17 -0.44 0.00 12.44 -0.02 -1.26 -5.05 135.00 140.50 2ch0 n PRO 3 Ca -0.02 -0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.07 2ch0 n PRO 3 Cb 0.59 -0.27 0.00 0.00 -0.02 0.00 0.00 33.50 33.80 2ch0 n PRO 3 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2ch0 n GLU 4 N -1.64 0.00 -1.57 -0.52 1.02 -1.26 -4.77 120.64 111.90 2ch0 n GLU 4 Ca 0.03 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.83 2ch0 n GLU 4 Cb 0.11 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.49 2ch0 n GLU 4 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2ch0 n PHE 5 N 0.43 2.10 0.10 -0.32 7.35 -1.26 -4.49 117.46 121.37 2ch0 n PHE 5 Ca 0.00 -2.65 0.10 0.00 -0.76 0.00 0.00 57.45 54.15 2ch0 n PHE 5 Cb 0.00 -1.98 0.00 0.00 0.35 0.00 0.00 39.48 37.85 2ch0 n PHE 5 CO 0.00 0.00 0.00 0.07 -0.76 0.00 0.00 176.76 176.07 2ch0 h ARG 6 N 4.34 0.00 -6.36 -4.13 0.11 -1.97 -3.47 114.38 102.90 2ch0 h ARG 6 Ca 0.66 0.00 -0.50 0.00 0.10 0.00 0.00 59.98 60.24 2ch0 h ARG 6 Cb 0.49 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.57 2ch0 h ARG 6 CO 1.36 0.03 -0.21 1.67 0.10 0.00 0.00 179.97 182.92 2ch0 s TRP 7 N -3.31 1.85 -0.66 4.08 -2.14 -1.26 -5.08 118.94 112.42 2ch0 s TRP 7 Ca -0.00 -0.68 0.22 0.00 2.66 0.00 0.00 56.10 58.30 2ch0 s TRP 7 Cb 0.09 -2.15 -0.23 0.00 -3.10 0.00 0.00 33.47 28.08 2ch0 s TRP 7 CO 0.79 -0.73 0.79 -2.37 -2.66 0.00 0.00 176.95 172.77 2ch0 n THR 8 N -1.96 0.02 0.13 0.66 5.66 -1.26 -4.67 114.28 112.85 2ch0 n THR 8 Ca 0.08 -0.18 0.17 0.00 -3.05 0.00 0.00 64.05 61.07 2ch0 n THR 8 Cb 0.62 0.60 0.74 0.00 -1.55 0.00 0.00 70.33 70.74 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 -2.00 -2.08 116.57 115.36 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 0.68 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 2ch0 h LYS 9 CO 0.00 0.00 0.15 0.39 -1.08 0.00 0.00 179.45 178.91 2ch0 n GLU 10 N -4.17 0.11 0.25 3.15 1.02 -1.26 -0.99 120.64 118.75 2ch0 n GLU 10 Ca 0.04 0.60 0.08 0.00 -0.02 0.00 0.00 57.16 57.86 2ch0 n GLU 10 Cb 0.40 -2.02 0.61 0.00 -0.02 0.00 0.00 31.44 30.40 2ch0 n GLU 10 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2ch0 h GLU 11 N 0.00 0.00 -0.37 3.49 5.08 -1.75 -3.19 114.58 117.85 2ch0 h GLU 11 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2ch0 h GLU 11 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2ch0 h GLU 11 CO 0.00 0.11 -0.33 1.05 -1.00 0.00 0.00 179.01 178.84 2ch0 h GLU 12 N 0.00 0.83 -1.00 2.33 4.11 -1.31 -2.56 114.58 116.98 2ch0 h GLU 12 Ca -0.00 -0.40 0.02 0.00 0.07 0.00 0.00 59.36 59.05 2ch0 h GLU 12 Cb 0.21 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 2ch0 h GLU 12 CO 0.01 1.03 0.66 0.93 0.07 0.00 0.00 179.01 181.72 2ch0 h GLU 13 N 0.69 1.29 0.00 1.06 4.39 -1.73 -3.12 114.58 117.16 2ch0 h GLU 13 Ca 0.07 -0.08 -0.10 0.00 0.34 0.00 0.00 59.36 59.59 2ch0 h GLU 13 Cb 0.89 -0.29 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 2ch0 h GLU 13 CO 0.08 0.85 -0.48 1.79 -1.16 0.00 0.00 179.01 180.09 2ch0 h THR 14 N 1.33 0.93 0.00 1.13 1.35 -1.61 -2.94 112.91 113.10 2ch0 h THR 14 Ca 0.38 -2.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.22 2ch0 h THR 14 Cb -0.11 2.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.56 2ch0 h THR 14 CO -0.09 0.48 0.00 0.03 -0.25 0.00 0.00 175.52 175.68 2ch0 h ARG 15 N 0.00 0.00 -5.40 4.72 3.08 -1.39 -3.43 114.38 111.96 2ch0 h ARG 15 Ca -0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.41 2ch0 h ARG 15 Cb 1.21 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 31.08 2ch0 h ARG 15 CO 0.06 0.00 -0.61 -0.65 -1.07 0.00 0.00 179.97 177.71 2ch0 s GLN 16 N -3.49 3.71 0.29 0.04 -1.52 -1.11 -5.07 119.66 112.51 2ch0 s GLN 16 Ca 0.02 -0.41 0.09 0.00 -1.95 0.00 0.00 55.36 53.10 2ch0 s GLN 16 Cb 0.09 -3.04 0.44 0.00 -0.22 0.00 0.00 33.01 30.27 2ch0 s GLN 16 CO 0.38 0.34 1.67 0.52 -0.25 0.00 0.00 175.29 177.95 2ch0 h MET 17 N 6.42 0.11 0.00 2.91 2.86 -1.83 -3.45 114.93 121.95 2ch0 h MET 17 Ca -0.37 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 2ch0 h MET 17 Cb 1.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.85 2ch0 h MET 17 CO 0.65 0.60 0.46 0.10 1.06 0.00 0.00 176.91 179.78 2ch0 h TYR 18 N 0.09 0.00 -0.02 -0.22 -0.00 -1.97 -3.38 116.97 111.47 2ch0 h TYR 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 2ch0 h TYR 18 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.66 2ch0 h TYR 18 CO 0.01 0.00 0.00 -0.25 -0.00 0.00 0.00 178.16 177.92 2ch0 n ASP 19 N -2.21 0.00 0.18 0.10 8.00 -1.26 -4.74 116.55 116.62 2ch0 n ASP 19 Ca -0.01 0.00 0.18 0.00 0.71 0.00 0.00 54.79 55.68 2ch0 n ASP 19 Cb 0.48 0.00 0.81 0.00 -0.02 0.00 0.00 41.12 42.39 2ch0 n ASP 19 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2ch0 h MET 20 N 0.00 0.00 -0.19 -1.24 -0.00 -1.99 -1.85 114.93 109.66 2ch0 h MET 20 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.62 2ch0 h MET 20 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.59 2ch0 h MET 20 CO 0.00 0.00 -0.23 -0.39 -0.00 0.00 0.00 176.91 176.29 2ch0 h VAL 21 N 0.00 1.25 -0.61 -0.10 -1.51 -1.91 -3.32 116.25 110.05 2ch0 h VAL 21 Ca 0.12 -1.15 0.13 0.00 -1.23 0.00 0.00 66.70 64.57 2ch0 h VAL 21 Cb 0.73 1.36 -0.03 0.00 -2.13 0.00 0.00 31.29 31.22 2ch0 h VAL 21 CO -0.00 0.36 0.42 1.62 -1.23 0.00 0.00 177.57 178.73 2ch0 h VAL 22 N 0.31 0.81 0.00 7.19 3.04 -1.51 -1.06 116.25 125.03 2ch0 h VAL 22 Ca 0.05 -0.09 -0.12 0.00 -1.01 0.00 0.00 66.70 65.53 2ch0 h VAL 22 Cb 0.59 0.53 -0.02 0.00 -2.01 0.00 0.00 31.29 30.39 2ch0 h VAL 22 CO 0.04 0.05 -0.58 0.11 -1.01 0.00 0.00 177.57 176.18 2ch0 h LYS 23 N 0.25 0.00 0.02 4.17 6.56 -1.80 -3.37 116.57 122.40 2ch0 h LYS 23 Ca 0.29 0.00 -0.22 0.00 -1.06 0.00 0.00 60.65 59.66 2ch0 h LYS 23 Cb 0.80 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.46 2ch0 h LYS 23 CO -0.06 0.58 -0.96 0.82 -2.06 0.00 0.00 179.45 177.77 2ch0 h ILE 24 N 0.00 1.45 -0.70 1.86 5.03 -1.35 -3.29 117.51 120.49 2ch0 h ILE 24 Ca -0.01 -2.59 0.20 0.00 -0.12 0.00 0.00 64.86 62.35 2ch0 h ILE 24 Cb 1.16 2.50 -0.03 0.00 -3.03 0.00 0.00 36.82 37.42 2ch0 h ILE 24 CO 0.08 0.76 0.51 0.16 -0.68 0.00 0.00 178.15 178.98 2ch0 h ILE 25 N 0.17 0.64 0.00 -0.67 3.07 -1.68 0.18 117.51 119.22 2ch0 h ILE 25 Ca -0.07 0.00 -0.05 0.00 1.55 0.00 0.00 64.86 66.29 2ch0 h ILE 25 Cb 1.60 0.64 -0.01 0.00 -0.27 0.00 0.00 36.82 38.79 2ch0 h ILE 25 CO 0.16 0.00 -0.22 -0.78 -1.05 0.00 0.00 178.15 176.26 2ch0 h ASP 26 N 0.00 0.00 -0.14 2.16 3.58 -1.80 -3.13 116.42 117.09 2ch0 h ASP 26 Ca 0.33 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.76 2ch0 h ASP 26 Cb 1.35 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.40 2ch0 h ASP 26 CO -0.00 0.22 0.01 1.62 -2.88 0.00 0.00 179.24 178.21 2ch0 h VAL 27 N 0.00 1.24 0.17 2.25 3.04 -0.80 -3.19 116.25 118.97 2ch0 h VAL 27 Ca -0.00 -0.79 -0.01 0.00 -1.01 0.00 0.00 66.70 64.89 2ch0 h VAL 27 Cb 0.58 1.49 0.00 0.00 -2.01 0.00 0.00 31.29 31.36 2ch0 h VAL 27 CO 0.03 0.23 -0.08 -0.07 -1.01 0.00 0.00 177.57 176.67 2ch0 h LEU 28 N -0.01 -0.20 -2.03 3.16 -0.00 -1.63 -3.36 115.31 111.25 2ch0 h LEU 28 Ca 0.04 -0.34 0.11 0.00 -0.00 0.00 0.00 57.88 57.69 2ch0 h LEU 28 Cb 0.35 0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.04 2ch0 h LEU 28 CO 0.01 0.34 0.39 -0.09 -0.00 0.00 0.00 178.44 179.09 2ch0 h ARG 29 N -0.85 0.00 0.03 1.13 9.65 -1.72 -3.12 114.38 119.50 2ch0 h ARG 29 Ca -0.02 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.86 2ch0 h ARG 29 Cb 0.52 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.10 2ch0 h ARG 29 CO 0.04 0.00 -0.01 0.77 2.80 0.00 0.00 179.97 183.57 2ch0 h SER 30 N 0.00 -0.03 -0.87 -3.80 0.02 -1.70 -3.28 113.55 103.89 2ch0 h SER 30 Ca 0.17 -0.69 0.01 0.00 -0.84 0.00 0.00 61.79 60.44 2ch0 h SER 30 Cb 0.95 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.46 2ch0 h SER 30 CO -0.00 0.73 0.56 -0.74 -1.14 0.00 0.00 176.83 176.24 2ch0 h HIS 31 N -0.85 1.11 -0.58 3.45 -0.00 -1.70 -3.28 115.15 113.30 2ch0 h HIS 31 Ca -0.00 0.02 0.15 0.00 -0.00 0.00 0.00 60.37 60.53 2ch0 h HIS 31 Cb 0.72 -0.37 -0.03 0.00 -0.00 0.00 0.00 27.41 27.73 2ch0 h HIS 31 CO 0.18 0.71 0.41 -0.97 -0.00 0.00 0.00 177.93 178.26 2ch0 h ASN 32 N 1.19 0.10 -0.10 3.26 -0.73 -1.65 0.38 115.58 118.02 2ch0 h ASN 32 Ca 0.32 0.00 -0.07 0.00 1.87 0.00 0.00 56.30 58.43 2ch0 h ASN 32 Cb -0.12 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.46 2ch0 h ASN 32 CO -0.07 0.05 -0.19 -0.33 -0.37 0.00 0.00 177.43 176.52 2ch0 h GLU 33 N 0.10 0.31 -0.11 6.67 5.08 -1.62 -2.46 114.58 122.56 2ch0 h GLU 33 Ca 0.28 -0.20 -0.17 0.00 -1.00 0.00 0.00 59.36 58.27 2ch0 h GLU 33 Cb 0.95 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 2ch0 h GLU 33 CO -0.03 0.79 -0.66 0.00 -1.00 0.00 0.00 179.01 178.10 2ch0 h ALA 34 N 0.52 0.65 -0.03 3.43 0.00 -1.69 -3.36 119.26 118.78 2ch0 h ALA 34 Ca 0.00 -0.57 -0.14 0.00 0.00 0.00 0.00 54.91 54.20 2ch0 h ALA 34 Cb 0.77 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2ch0 h ALA 34 CO 0.04 0.74 -0.62 0.00 0.00 0.00 0.00 179.25 179.40 2ch0 n GLN 36 N -3.83 0.11 0.07 0.00 -0.00 -0.93 -2.32 117.38 110.48 2ch0 n GLN 36 Ca -0.02 0.42 -0.07 0.00 -0.00 0.00 0.00 57.00 57.33 2ch0 n GLN 36 Cb 0.63 -1.74 -0.08 0.00 -0.00 0.00 0.00 30.24 29.05 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 0.02 0.00 2.61 -0.00 -1.75 -2.95 114.58 112.51 2ch0 h GLU 37 Ca 0.00 -0.03 -0.44 0.00 -0.00 0.00 0.00 59.36 58.90 2ch0 h GLU 37 Cb 0.23 0.01 -0.04 0.00 -0.00 0.00 0.00 28.75 28.95 2ch0 h GLU 37 CO 0.00 0.96 -0.21 0.09 -0.00 0.00 0.00 179.01 179.85 2ch0 n ASN 38 N -3.42 2.33 -0.00 3.06 3.02 -0.98 -4.86 115.26 114.40 2ch0 n ASN 38 Ca -0.01 -2.43 -0.17 0.00 -0.03 0.00 0.00 54.58 51.95 2ch0 n ASN 38 Cb 0.90 -0.03 -0.14 0.00 -0.61 0.00 0.00 39.78 39.90 2ch0 n ASN 38 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2ch0 n LYS 39 N -1.48 0.71 -3.26 3.52 -0.00 -1.25 -4.78 118.16 111.62 2ch0 n LYS 39 Ca -0.02 0.28 -0.05 0.00 -0.00 0.00 0.00 58.31 58.52 2ch0 n LYS 39 Cb 0.47 -1.74 -0.04 0.00 -0.00 0.00 0.00 35.03 33.72 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 -6.69 -0.17 0.31 -5.58 1.47 -1.26 0.19 116.67 104.94 2ch0 s ASP 40 Ca -0.15 -0.25 0.26 0.00 1.18 0.00 0.00 52.55 53.59 2ch0 s ASP 40 Cb 0.07 1.36 0.96 0.00 -0.34 0.00 0.00 42.92 44.97 2ch0 s ASP 40 CO 0.79 -0.34 1.77 0.17 0.68 0.00 0.00 175.17 178.24 2ch0 h LEU 41 N 8.09 0.00 -4.00 2.11 8.10 -1.89 -3.35 115.31 124.37 2ch0 h LEU 41 Ca -0.06 0.00 -0.64 0.00 0.11 0.00 0.00 57.88 57.29 2ch0 h LEU 41 Cb 1.14 0.00 -0.29 0.00 -0.44 0.00 0.00 40.66 41.06 2ch0 h LEU 41 CO 0.23 0.00 0.82 0.00 -4.11 0.00 0.00 178.44 175.38 2ch0 n GLN 42 N -2.46 2.60 -0.06 0.17 3.00 -1.26 -4.98 117.38 114.39 2ch0 n GLN 42 Ca 0.03 -3.23 0.21 0.00 -0.01 0.00 0.00 57.00 54.00 2ch0 n GLN 42 Cb 0.32 -2.26 0.39 0.00 0.00 0.00 0.00 30.24 28.68 2ch0 n GLN 42 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 2ch0 h PRO 43 N 1.78 0.00 -2.63 -1.09 0.13 -1.82 -1.41 132.00 126.96 2ch0 h PRO 43 Ca 0.61 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.66 2ch0 h PRO 43 Cb 1.27 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.21 2ch0 h PRO 43 CO 1.48 0.00 -0.06 0.71 -0.23 0.00 0.00 178.00 179.90 2ch0 s TYR 44 N -4.35 -0.38 -0.03 1.56 2.02 -1.26 -4.65 117.35 110.25 2ch0 s TYR 44 Ca -0.02 0.59 -0.17 0.00 -0.37 0.00 0.00 57.07 57.10 2ch0 s TYR 44 Cb 0.11 0.24 0.03 0.00 -0.40 0.00 0.00 41.96 41.95 2ch0 s TYR 44 CO 0.37 -0.51 0.37 -1.64 -1.57 0.00 0.00 175.55 172.58 2ch0 s MET 45 N -1.48 0.72 1.02 -0.62 -1.94 -0.17 -4.93 119.30 111.91 2ch0 s MET 45 Ca -0.11 -0.08 -0.17 0.00 -1.71 0.00 0.00 55.69 53.62 2ch0 s MET 45 Cb -0.02 0.32 0.23 0.00 2.01 0.00 0.00 34.83 37.37 2ch0 s MET 45 CO 0.05 -0.20 1.30 -1.25 -0.01 0.00 0.00 175.02 174.91 2ch0 s PRO 46 N -1.22 0.16 0.04 2.03 0.04 -1.26 -1.36 135.00 133.43 2ch0 s PRO 46 Ca -0.12 -0.41 -0.25 0.00 0.04 0.00 0.00 61.00 60.25 2ch0 s PRO 46 Cb -0.04 -1.79 -0.17 0.00 0.04 0.00 0.00 34.50 32.54 2ch0 s PRO 46 CO 0.05 -2.74 1.50 0.82 0.04 0.00 0.00 177.00 176.67 2ch0 h ILE 47 N -1.87 0.95 0.00 0.56 1.08 -1.93 -2.63 117.51 113.66 2ch0 h ILE 47 Ca -0.44 -0.42 0.00 0.00 -0.39 0.00 0.00 64.86 63.61 2ch0 h ILE 47 Cb 1.23 1.21 0.00 0.00 -3.07 0.00 0.00 36.82 36.19 2ch0 h ILE 47 CO 0.34 0.10 0.39 -0.81 -0.69 0.00 0.00 178.15 177.48 2ch0 n PRO 48 N -5.09 0.07 0.08 2.37 -0.04 -1.26 0.05 135.00 131.18 2ch0 n PRO 48 Ca -0.09 0.53 -0.12 0.00 -0.04 0.00 0.00 63.50 63.78 2ch0 n PRO 48 Cb 0.18 -2.11 -0.06 0.00 -0.04 0.00 0.00 33.50 31.47 2ch0 n PRO 48 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2ch0 h HIS 49 N 0.00 -0.26 0.13 0.54 -0.00 -1.83 0.95 115.15 114.68 2ch0 h HIS 49 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 60.37 60.12 2ch0 h HIS 49 Cb 0.78 0.11 0.03 0.00 -0.00 0.00 0.00 27.41 28.33 2ch0 h HIS 49 CO 0.00 -0.16 -1.06 -0.24 -0.00 0.00 0.00 177.93 176.47 2ch0 h VAL 50 N -0.21 1.37 0.00 5.26 3.04 -1.73 -3.11 116.25 120.88 2ch0 h VAL 50 Ca 0.02 -2.47 -0.03 0.00 -1.01 0.00 0.00 66.70 63.21 2ch0 h VAL 50 Cb 0.22 2.90 -0.00 0.00 -2.01 0.00 0.00 31.29 32.40 2ch0 h VAL 50 CO -0.06 0.73 -0.14 -0.09 -1.01 0.00 0.00 177.57 177.00 2ch0 h ARG 51 N -0.01 0.00 0.00 4.17 2.43 -0.42 -1.09 114.38 119.47 2ch0 h ARG 51 Ca -0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 2ch0 h ARG 51 Cb 1.79 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.34 2ch0 h ARG 51 CO 0.20 0.14 0.00 -0.44 -1.51 0.00 0.00 179.97 178.36 2ch0 h ASP 52 N 0.00 0.00 1.35 -3.80 3.32 0.80 -3.39 116.42 114.71 2ch0 h ASP 52 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2ch0 h ASP 52 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 2ch0 h ASP 52 CO 0.02 0.00 0.00 0.28 -1.72 0.00 0.00 179.24 177.82 2ch0 h SER 53 N 0.00 0.00 0.50 6.45 0.02 -1.11 -3.38 113.55 116.03 2ch0 h SER 53 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2ch0 h SER 53 Cb 0.76 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.30 2ch0 h SER 53 CO 0.00 0.00 0.00 0.17 -1.14 0.00 0.00 176.83 175.86 2ch0 h LEU 54 N 0.00 0.00 -8.11 5.07 -0.00 -1.81 -3.43 115.31 107.04 2ch0 h LEU 54 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.78 2ch0 h LEU 54 Cb 0.68 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 41.22 2ch0 h LEU 54 CO 0.00 0.00 -0.28 -0.63 -0.00 0.00 0.00 178.44 177.53 2ch0 s ILE 55 N -3.49 0.05 -0.22 0.15 -1.09 -1.26 -5.00 121.20 110.34 2ch0 s ILE 55 Ca 0.01 -1.38 -0.18 0.00 -2.23 0.00 0.00 60.65 56.87 2ch0 s ILE 55 Cb 0.09 -1.91 -0.18 0.00 -1.58 0.00 0.00 42.46 38.87 2ch0 s ILE 55 CO 0.35 -0.22 0.10 0.00 -1.23 0.00 0.00 174.94 173.94 2ch0 n GLN 56 N -0.25 0.59 0.00 2.79 1.13 -1.26 -4.81 117.38 115.56 2ch0 n GLN 56 Ca -0.06 0.48 0.00 0.00 -1.94 0.00 0.00 57.00 55.48 2ch0 n GLN 56 Cb 0.63 -1.69 0.00 0.00 0.11 0.00 0.00 30.24 29.29 2ch0 n GLN 56 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2ch0 n PRO 57 N -4.29 1.36 0.20 -1.09 -0.04 -1.26 -4.85 135.00 125.02 2ch0 n PRO 57 Ca -0.37 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.15 2ch0 n PRO 57 Cb 0.76 0.00 0.39 0.00 -0.04 0.00 0.00 33.50 34.61 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 -0.03 0.54 2.07 -2.01 -3.13 115.15 112.59 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 0.34 0.00 -0.25 -3.07 0.00 0.00 177.93 174.95 2ch0 n ASP 59 N -3.60 0.22 -0.04 3.10 8.00 -1.26 -4.41 116.55 118.56 2ch0 n ASP 59 Ca -0.01 -1.67 -0.08 0.00 0.71 0.00 0.00 54.79 53.74 2ch0 n ASP 59 Cb 0.46 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.53 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 0.27 -0.18 -0.04 -1.24 -0.00 -1.86 -2.88 114.38 108.45 2ch0 h ARG 60 Ca 0.00 0.01 0.01 0.00 -0.00 0.00 0.00 59.98 60.00 2ch0 h ARG 60 Cb 0.06 0.04 -0.00 0.00 -0.00 0.00 0.00 29.97 30.07 2ch0 h ARG 60 CO 0.00 -0.12 0.06 -0.22 -0.00 0.00 0.00 179.97 179.69 2ch0 h LYS 61 N -0.18 0.00 -0.88 0.08 3.11 -1.88 -3.08 116.57 113.74 2ch0 h LYS 61 Ca 0.13 0.00 0.24 0.00 -2.81 0.00 0.00 60.65 58.21 2ch0 h LYS 61 Cb 0.38 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.56 2ch0 h LYS 61 CO -0.33 0.00 0.62 -0.22 -2.81 0.00 0.00 179.45 176.70 2ch0 h LYS 62 N 0.00 0.13 -0.18 1.90 3.64 -1.83 -1.52 116.57 118.71 2ch0 h LYS 62 Ca 0.02 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2ch0 h LYS 62 Cb 0.14 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2ch0 h LYS 62 CO -0.00 0.08 0.00 -1.33 -2.27 0.00 0.00 179.45 175.93 2ch0 n MET 63 N -4.36 2.10 0.08 1.90 2.81 -1.16 -4.47 117.12 114.02 2ch0 n MET 63 Ca 0.18 -1.64 -0.06 0.00 -1.81 0.00 0.00 57.70 54.38 2ch0 n MET 63 Cb 0.86 -1.18 0.10 0.00 -0.71 0.00 0.00 33.22 32.29 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 1.51 0.27 -0.46 0.03 3.64 -1.34 -0.82 116.57 119.41 2ch0 h LYS 64 Ca 0.00 -0.19 -0.12 0.00 -1.27 0.00 0.00 60.65 59.07 2ch0 h LYS 64 Cb 0.57 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 2ch0 h LYS 64 CO 0.00 0.81 -0.20 -0.22 -2.27 0.00 0.00 179.45 177.57 2ch0 h LYS 65 N 0.20 0.91 0.00 1.90 3.64 -1.75 -3.05 116.57 118.42 2ch0 h LYS 65 Ca -0.01 -0.37 -0.17 0.00 -1.27 0.00 0.00 60.65 58.83 2ch0 h LYS 65 Cb 1.14 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 2ch0 h LYS 65 CO 0.10 1.02 -0.81 -0.24 -2.27 0.00 0.00 179.45 177.26 2ch0 h VAL 66 N 0.79 1.57 -0.94 2.00 3.04 -1.81 -3.32 116.25 117.59 2ch0 h VAL 66 Ca 0.11 -2.73 0.22 0.00 -1.01 0.00 0.00 66.70 63.29 2ch0 h VAL 66 Cb 0.74 2.48 -0.07 0.00 -2.01 0.00 0.00 31.29 32.43 2ch0 h VAL 66 CO 0.06 0.78 0.62 -0.25 -1.01 0.00 0.00 177.57 177.77 2ch0 h TRP 67 N 0.01 0.52 -0.75 3.17 2.91 -1.03 0.20 115.95 120.99 2ch0 h TRP 67 Ca -0.01 0.02 0.10 0.00 1.13 0.00 0.00 58.89 60.12 2ch0 h TRP 67 Cb 1.42 -0.16 -0.07 0.00 -0.51 0.00 0.00 29.16 29.84 2ch0 h TRP 67 CO 0.00 0.12 0.39 -0.44 -1.03 0.00 0.00 178.44 177.48 2ch0 h ASP 68 N 0.38 0.52 0.02 2.65 3.32 -1.65 0.98 116.42 122.64 2ch0 h ASP 68 Ca 0.49 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.55 2ch0 h ASP 68 Cb 1.29 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 40.81 2ch0 h ASP 68 CO -0.19 0.29 -0.24 -0.09 -1.72 0.00 0.00 179.24 177.29 2ch0 h ARG 69 N 0.65 0.13 -0.69 3.56 9.65 -1.45 -3.39 114.38 122.83 2ch0 h ARG 69 Ca 0.37 -0.17 0.13 0.00 -1.10 0.00 0.00 59.98 59.22 2ch0 h ARG 69 Cb 0.39 0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.98 2ch0 h ARG 69 CO -0.27 0.98 0.47 0.00 2.80 0.00 0.00 179.97 183.94 2ch0 h ALA 70 N 0.16 2.09 -0.28 2.80 0.00 -0.34 -2.18 119.26 121.51 2ch0 h ALA 70 Ca -0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2ch0 h ALA 70 Cb 1.08 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2ch0 h ALA 70 CO 0.05 -0.27 0.15 0.28 0.00 0.00 0.00 179.25 179.46 2ch0 h VAL 71 N 0.40 1.09 -0.35 0.00 2.07 -1.01 0.09 116.25 118.55 2ch0 h VAL 71 Ca 0.33 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.62 2ch0 h VAL 71 Cb 0.75 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 2ch0 h VAL 71 CO -0.10 0.10 0.22 -0.78 0.02 0.00 0.00 177.57 177.03 2ch0 h ASP 72 N 0.39 0.41 0.07 0.57 3.58 -1.59 -1.47 116.42 118.38 2ch0 h ASP 72 Ca 0.10 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.51 2ch0 h ASP 72 Cb 0.02 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 40.96 2ch0 h ASP 72 CO -0.02 0.33 -0.03 2.19 -2.88 0.00 0.00 179.24 178.83 2ch0 h PHE 73 N 0.46 -0.08 -0.70 0.28 -0.00 -1.68 -3.40 116.94 111.82 2ch0 h PHE 73 Ca 0.13 -0.00 0.09 0.00 -0.00 0.00 0.00 57.97 58.18 2ch0 h PHE 73 Cb -0.02 0.03 -0.07 0.00 -0.00 0.00 0.00 35.95 35.89 2ch0 h PHE 73 CO -0.04 0.45 0.35 1.25 -0.00 0.00 0.00 178.31 180.32 2ch0 h LEU 74 N -0.92 0.47 -0.58 2.10 7.12 -1.04 -2.94 115.31 119.52 2ch0 h LEU 74 Ca -0.01 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.06 2ch0 h LEU 74 Cb 0.57 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.68 2ch0 h LEU 74 CO 0.02 0.27 0.00 0.00 -0.13 0.00 0.00 178.44 178.60 2ch0 n ALA 75 N -2.40 1.21 0.90 1.25 0.00 -0.55 -3.17 120.51 117.74 2ch0 n ALA 75 Ca 0.11 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.75 2ch0 n ALA 75 Cb 0.26 -1.20 0.43 0.00 0.00 0.00 0.00 19.45 18.95 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 -1.63 2.73 0.07 0.00 0.00 -1.11 -4.77 120.51 115.80 2ch0 n ALA 76 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2ch0 n ALA 76 Cb 0.07 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 -1.68 -0.29 -4.47 0.00 0.23 -1.19 -5.03 115.26 102.82 2ch0 n ASN 77 Ca 0.06 0.24 -0.44 0.00 -0.53 0.00 0.00 54.58 53.91 2ch0 n ASN 77 Cb 0.36 0.40 -0.01 0.00 -2.08 0.00 0.00 39.78 38.45 2ch0 n ASN 77 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2ch0 s GLU 78 N -1.43 3.83 -0.28 -3.83 0.41 -1.19 -4.91 118.70 111.31 2ch0 s GLU 78 Ca 0.00 -2.07 -0.15 0.00 -0.41 0.00 0.00 54.97 52.34 2ch0 s GLU 78 Cb 0.00 -5.06 0.09 0.00 -1.78 0.00 0.00 34.13 27.38 2ch0 s GLU 78 CO 0.00 -1.84 0.68 -1.12 -0.49 0.00 0.00 175.26 172.49 2ch0 s SER 79 N 3.45 -0.96 -0.05 -0.19 0.01 -1.26 -4.72 113.70 109.97 2ch0 s SER 79 Ca 0.39 1.52 0.08 0.00 1.31 0.00 0.00 55.95 59.25 2ch0 s SER 79 Cb -0.03 1.48 0.12 0.00 0.21 0.00 0.00 66.02 67.80 2ch0 s SER 79 CO -0.04 -0.24 1.01 0.54 0.41 0.00 0.00 173.24 174.92 2ch0 n ARG 80 N 4.44 0.87 -4.31 12.44 1.74 -1.26 -5.04 116.66 125.54 2ch0 n ARG 80 Ca -0.19 -1.65 -0.32 0.00 -0.77 0.00 0.00 57.85 54.92 2ch0 n ARG 80 Cb 0.58 -0.96 -0.09 0.00 -1.02 0.00 0.00 32.46 30.96 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 -1.29 3.93 -0.17 1.55 -7.23 -1.26 -3.58 120.40 112.35 2ch0 s VAL 81 Ca 0.13 -0.75 -0.07 0.00 -1.81 0.00 0.00 61.98 59.48 2ch0 s VAL 81 Cb 0.11 -2.76 -0.04 0.00 0.56 0.00 0.00 36.38 34.25 2ch0 s VAL 81 CO 0.01 0.33 0.06 -0.60 -0.31 0.00 0.00 175.10 174.59 2ch0 s ARG 82 N -1.66 3.90 -0.28 4.82 3.00 -0.09 -4.85 118.95 123.79 2ch0 s ARG 82 Ca 0.20 -0.34 -0.07 0.00 -1.00 0.00 0.00 55.73 54.52 2ch0 s ARG 82 Cb -0.11 -3.19 -0.00 0.00 0.00 0.00 0.00 34.95 31.65 2ch0 s ARG 82 CO 0.11 0.32 0.08 -0.08 0.00 0.00 0.00 175.30 175.72 2ch0 s THR 83 N 0.24 4.06 0.03 4.11 -1.32 -1.26 -1.58 115.64 119.92 2ch0 s THR 83 Ca 0.04 -0.56 -0.07 0.00 -1.21 0.00 0.00 61.69 59.89 2ch0 s THR 83 Cb -0.12 -3.04 -0.00 0.00 -1.51 0.00 0.00 72.50 67.82 2ch0 s THR 83 CO 0.00 0.14 0.14 -1.83 -2.21 0.00 0.00 174.62 170.86 2ch0 s GLU 84 N 1.53 0.61 -0.46 7.08 1.03 -1.00 -4.92 118.70 122.57 2ch0 s GLU 84 Ca 0.04 -0.65 -0.25 0.00 0.03 0.00 0.00 54.97 54.13 2ch0 s GLU 84 Cb -0.17 0.25 0.03 0.00 -0.80 0.00 0.00 34.13 33.44 2ch0 s GLU 84 CO 0.03 -0.16 0.91 0.95 -1.33 0.00 0.00 175.26 175.66 2ch0 s THR 85 N -2.39 4.49 0.04 1.83 -4.23 -1.26 -0.90 115.64 113.22 2ch0 s THR 85 Ca -0.07 0.70 0.00 0.00 -1.18 0.00 0.00 61.69 61.15 2ch0 s THR 85 Cb -0.02 -4.42 -0.03 0.00 1.34 0.00 0.00 72.50 69.37 2ch0 s THR 85 CO -0.03 -0.82 -0.04 -0.13 -0.54 0.00 0.00 174.62 173.05 2ch0 s ARG 86 N 3.70 0.48 -0.27 3.99 1.81 -0.94 -4.93 118.95 122.79 2ch0 s ARG 86 Ca 0.36 -0.87 -0.17 0.00 -1.72 0.00 0.00 55.73 53.34 2ch0 s ARG 86 Cb -0.10 0.02 -0.03 0.00 -0.45 0.00 0.00 34.95 34.39 2ch0 s ARG 86 CO 0.26 -0.04 0.46 0.50 -0.68 0.00 0.00 175.30 175.79 2ch0 s ARG 87 N -2.34 4.00 -0.06 3.54 3.52 -1.26 -2.33 118.95 124.02 2ch0 s ARG 87 Ca -0.06 0.16 -0.00 0.00 -0.13 0.00 0.00 55.73 55.69 2ch0 s ARG 87 Cb -0.04 -3.67 0.02 0.00 -1.56 0.00 0.00 34.95 29.71 2ch0 s ARG 87 CO -0.03 -0.35 -0.03 0.96 -0.81 0.00 0.00 175.30 175.04 2ch0 s ILE 88 N 2.22 0.51 -1.08 4.11 -0.00 0.53 -4.77 121.20 122.72 2ch0 s ILE 88 Ca 0.18 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.81 2ch0 s ILE 88 Cb -0.16 -0.60 0.00 0.00 -0.00 0.00 0.00 42.46 41.71 2ch0 s ILE 88 CO 0.10 0.26 0.00 0.61 -0.00 0.00 0.00 174.94 175.90 2ch0 n GLY 89 N 4.66 1.11 1.44 6.27 0.00 -1.26 -2.51 105.19 114.90 2ch0 n GLY 89 Ca -0.15 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.69 0.60 2.83 -0.02 0.00 -1.26 -5.08 105.19 100.56 2ch0 n GLY 90 Ca -0.10 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 0.04 -0.23 4.61 0.00 -1.04 -5.09 121.76 118.04 2ch0 s ALA 91 Ca 0.00 0.13 -0.14 0.00 0.00 0.00 0.00 51.96 51.95 2ch0 s ALA 91 Cb 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 2ch0 s ALA 91 CO 0.00 -0.04 0.31 0.16 0.00 0.00 0.00 175.76 176.19 2ch0 s ASP 92 N 0.45 6.28 0.31 0.00 1.47 -1.26 -0.35 116.67 123.57 2ch0 s ASP 92 Ca -0.04 0.32 0.03 0.00 1.18 0.00 0.00 52.55 54.04 2ch0 s ASP 92 Cb -0.05 -2.19 -0.05 0.00 -0.34 0.00 0.00 42.92 40.29 2ch0 s ASP 92 CO -0.01 -0.06 0.10 -0.36 0.68 0.00 0.00 175.17 175.52 2ch0 s PHE 93 N 1.44 1.73 -0.45 2.11 0.08 -0.98 -4.90 117.98 117.00 2ch0 s PHE 93 Ca 0.14 -1.15 -0.25 0.00 0.12 0.00 0.00 56.93 55.79 2ch0 s PHE 93 Cb -0.15 -1.07 0.03 0.00 -0.57 0.00 0.00 43.02 41.26 2ch0 s PHE 93 CO 0.08 -0.24 0.89 -1.17 -0.10 0.00 0.00 175.22 174.67 2ch0 s LEU 94 N -3.43 4.07 -0.02 -0.37 2.96 -1.26 -2.22 118.68 118.40 2ch0 s LEU 94 Ca 0.35 0.09 0.01 0.00 -0.22 0.00 0.00 54.13 54.36 2ch0 s LEU 94 Cb 0.07 -3.14 -0.03 0.00 0.50 0.00 0.00 46.19 43.58 2ch0 s LEU 94 CO 0.15 -1.00 -0.01 0.54 -1.32 0.00 0.00 176.35 174.70 2ch0 s VAL 95 N 3.62 4.08 -0.19 1.68 0.11 -0.08 -4.29 120.40 125.33 2ch0 s VAL 95 Ca 0.35 -0.55 -0.09 0.00 -2.93 0.00 0.00 61.98 58.77 2ch0 s VAL 95 Cb -0.11 -2.78 -0.05 0.00 -1.53 0.00 0.00 36.38 31.91 2ch0 s VAL 95 CO 0.25 0.44 0.10 0.26 -3.33 0.00 0.00 175.10 172.82 2ch0 s TRP 96 N -1.01 3.35 0.10 1.54 0.51 -0.46 -2.38 118.94 120.58 2ch0 s TRP 96 Ca 0.17 0.24 0.06 0.00 -2.12 0.00 0.00 56.10 54.45 2ch0 s TRP 96 Cb -0.11 -2.12 -0.03 0.00 -0.81 0.00 0.00 33.47 30.39 2ch0 s TRP 96 CO 0.08 0.25 -0.16 -0.98 -0.51 0.00 0.00 176.95 175.63 2ch0 s ARG 97 N 0.31 0.96 0.06 4.98 1.70 -0.62 -1.00 118.95 125.35 2ch0 s ARG 97 Ca 0.06 -1.11 -0.25 0.00 -0.47 0.00 0.00 55.73 53.97 2ch0 s ARG 97 Cb -0.12 -0.98 -0.06 0.00 -0.57 0.00 0.00 34.95 33.22 2ch0 s ARG 97 CO -0.01 0.21 0.75 -0.46 -1.08 0.00 0.00 175.30 174.71 2ch0 s TRP 98 N -1.57 3.76 -0.17 5.89 -0.11 -0.53 -0.91 118.94 125.29 2ch0 s TRP 98 Ca 0.04 1.47 0.00 0.00 1.22 0.00 0.00 56.10 58.83 2ch0 s TRP 98 Cb -0.08 -2.79 0.04 0.00 -1.50 0.00 0.00 33.47 29.14 2ch0 s TRP 98 CO 0.03 0.32 -0.09 0.96 -4.62 0.00 0.00 176.95 173.55 2ch0 s ILE 99 N -0.25 1.39 -0.22 5.86 -4.36 -1.23 -4.57 121.20 117.82 2ch0 s ILE 99 Ca 0.37 -0.76 0.00 0.00 -0.26 0.00 0.00 60.65 60.01 2ch0 s ILE 99 Cb -0.21 -1.47 0.06 0.00 1.25 0.00 0.00 42.46 42.09 2ch0 s ILE 99 CO 0.23 0.22 -0.04 -1.10 0.24 0.00 0.00 174.94 174.48 2ch0 s GLN 100 N 1.52 1.45 0.86 0.37 -1.52 0.13 -4.84 119.66 117.63 2ch0 s GLN 100 Ca 0.01 -0.85 -0.11 0.00 -1.95 0.00 0.00 55.36 52.45 2ch0 s GLN 100 Cb -0.15 -2.46 0.11 0.00 -0.22 0.00 0.00 33.01 30.29 2ch0 s GLN 100 CO -0.08 -0.59 1.09 -2.14 -0.25 0.00 0.00 175.29 173.32 2ch0 s PRO 101 N 1.49 1.56 0.00 2.91 0.02 -1.26 -4.29 135.00 135.43 2ch0 s PRO 101 Ca -0.04 0.84 0.00 0.00 0.02 0.00 0.00 61.00 61.82 2ch0 s PRO 101 Cb -0.18 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.50 2ch0 s PRO 101 CO -0.07 -2.04 0.00 0.45 -0.33 0.00 0.00 177.00 175.02 2ch0 n SER 102 N -3.75 0.00 -4.51 2.53 2.88 -1.26 -4.82 113.62 104.69 2ch0 n SER 102 Ca 0.07 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.35 2ch0 n SER 102 Cb 0.55 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.84 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 0.00 0.78 -2.01 -1.46 0.00 -1.11 -4.67 120.51 112.03 2ch0 n ALA 103 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 53.44 52.66 2ch0 n ALA 103 Cb 0.00 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 16.89 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 9.52 0.29 -1.90 0.00 3.41 -1.26 -5.05 113.62 118.63 2ch0 n SER 104 Ca 0.62 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 59.03 2ch0 n SER 104 Cb 0.19 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.28 2ch0 n SER 104 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ch0 n ASP 106 N -1.05 4.17 -4.49 0.00 5.75 -1.26 -4.91 116.55 114.77 2ch0 n ASP 106 Ca 0.51 -2.13 -0.39 0.00 -0.01 0.00 0.00 54.79 52.76 2ch0 n ASP 106 Cb 1.18 -0.51 -0.02 0.00 -1.03 0.00 0.00 41.12 40.74 2ch0 n ASP 106 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2ch0 n LYS 107 N 1.46 2.70 0.00 0.11 5.02 -1.26 -4.30 118.16 121.89 2ch0 n LYS 107 Ca 0.25 -2.97 0.00 0.00 -2.02 0.00 0.00 58.31 53.57 2ch0 n LYS 107 Cb 0.70 -3.53 0.00 0.00 -0.02 0.00 0.00 35.03 32.18 2ch0 n LYS 107 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2ch0 n ILE 108 N 6.66 0.00 -3.71 -0.18 5.41 -1.26 -5.10 119.36 121.18 2ch0 n ILE 108 Ca 0.48 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.90 2ch0 n ILE 108 Cb 0.45 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 39.30 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 3.85 -4.45 1.39 0.00 -1.26 -5.04 117.00 111.48 2ch0 n LEU 109 Ca 0.00 -5.17 -0.38 0.00 0.00 0.00 0.00 56.01 50.46 2ch0 n LEU 109 Cb 0.00 -0.98 -0.12 0.00 0.00 0.00 0.00 43.42 42.32 2ch0 n LEU 109 CO 0.00 1.64 -0.21 -0.69 0.00 0.00 0.00 177.39 178.13 2ch0 s VAL 110 N -1.46 4.66 0.04 1.96 1.01 -1.26 -5.10 120.40 120.25 2ch0 s VAL 110 Ca 0.27 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.92 2ch0 s VAL 110 Cb -0.05 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 2ch0 s VAL 110 CO -0.14 0.10 0.05 0.27 0.00 0.00 0.00 175.10 175.38 2ch0 s ILE 111 N 1.63 4.44 -1.08 2.22 -0.00 -1.26 -5.04 121.20 122.11 2ch0 s ILE 111 Ca 0.05 -0.67 -0.08 0.00 -0.00 0.00 0.00 60.65 59.95 2ch0 s ILE 111 Cb -0.17 -3.08 -0.13 0.00 -0.00 0.00 0.00 42.46 39.09 2ch0 s ILE 111 CO 0.07 0.23 3.13 -0.81 -0.00 0.00 0.00 174.94 177.56 2ch0 n PRO 112 N 0.85 3.20 -2.17 0.37 -0.04 -1.26 -4.75 135.00 131.20 2ch0 n PRO 112 Ca -0.11 -1.91 0.00 0.00 -0.04 0.00 0.00 63.50 61.44 2ch0 n PRO 112 Cb 0.52 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 2ch0 n PRO 112 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2ch0 n SER 113 N 3.07 -0.17 0.00 3.54 2.88 -1.26 -5.04 113.62 116.64 2ch0 n SER 113 Ca 0.66 -1.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.17 2ch0 n SER 113 Cb 0.45 0.27 0.00 0.00 -0.75 0.00 0.00 64.21 64.18 2ch0 n SER 113 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2ch0 n LYS 114 N -0.14 0.00 0.07 -1.46 4.81 -1.26 -5.01 118.16 115.17 2ch0 n LYS 114 Ca 0.01 0.22 -0.13 0.00 -0.87 0.00 0.00 58.31 57.53 2ch0 n LYS 114 Cb 0.09 -2.93 -0.13 0.00 0.02 0.00 0.00 35.03 32.07 2ch0 n LYS 114 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 2ch0 h VAL 115 N 0.00 1.39 -0.26 3.15 -1.51 -1.96 -3.50 116.25 113.57 2ch0 h VAL 115 Ca 0.00 -3.05 -0.02 0.00 -1.23 0.00 0.00 66.70 62.40 2ch0 h VAL 115 Cb 0.35 2.81 0.00 0.00 -2.13 0.00 0.00 31.29 32.32 2ch0 h VAL 115 CO 0.00 0.85 -0.02 0.79 -1.23 0.00 0.00 177.57 177.96 2ch0 n TRP 116 N -3.41 -0.05 -1.85 5.19 8.01 -1.26 -5.01 117.44 119.06 2ch0 n TRP 116 Ca -0.09 0.01 -0.41 0.00 -1.31 0.00 0.00 57.50 55.70 2ch0 n TRP 116 Cb 1.01 -1.12 -0.01 0.00 -2.01 0.00 0.00 31.31 29.18 2ch0 n TRP 116 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 2ch0 n GLN 117 N -1.02 3.93 -2.72 -0.99 1.13 -1.26 -4.34 117.38 112.09 2ch0 n GLN 117 Ca -0.01 -3.03 -0.05 0.00 -1.94 0.00 0.00 57.00 51.97 2ch0 n GLN 117 Cb 0.51 -2.82 0.06 0.00 0.11 0.00 0.00 30.24 28.09 2ch0 n GLN 117 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2ch0 n GLY 118 N 2.75 1.63 0.18 1.08 0.00 -1.26 -4.91 105.19 104.66 2ch0 n GLY 118 Ca 0.60 -0.90 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 2ch0 n GLY 118 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ch0 n GLN 119 N -0.49 0.56 -4.20 1.61 0.00 -1.26 -5.08 117.38 108.51 2ch0 n GLN 119 Ca 0.03 0.24 -0.15 0.00 -0.00 0.00 0.00 57.00 57.13 2ch0 n GLN 119 Cb 0.83 -1.44 -0.08 0.00 0.00 0.00 0.00 30.24 29.54 2ch0 n GLN 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2ch0 s ALA 120 N -2.48 1.24 -1.31 1.69 0.00 -1.26 -5.08 121.76 114.56 2ch0 s ALA 120 Ca -0.37 -1.74 -0.11 0.00 0.00 0.00 0.00 51.96 49.75 2ch0 s ALA 120 Cb 0.14 1.37 -0.06 0.00 0.00 0.00 0.00 23.12 24.57 2ch0 s ALA 120 CO 0.47 -0.66 2.49 1.19 0.00 0.00 0.00 175.76 179.25 2ch0 n PHE 121 N -0.43 2.25 0.00 0.00 3.72 -1.26 -4.76 117.46 116.98 2ch0 n PHE 121 Ca 0.03 -2.62 0.00 0.00 -0.05 0.00 0.00 57.45 54.82 2ch0 n PHE 121 Cb 0.64 -2.19 0.00 0.00 -0.94 0.00 0.00 39.48 36.99 2ch0 n PHE 121 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 2ch0 n HIS 122 N 4.59 0.00 -1.86 1.38 8.25 -1.26 -4.32 115.22 122.00 2ch0 n HIS 122 Ca 0.61 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 58.07 2ch0 n HIS 122 Cb 0.25 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.36 2ch0 n HIS 122 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2ch0 n LEU 123 N 0.00 -1.79 -4.29 2.41 7.99 -1.26 -5.10 117.00 114.96 2ch0 n LEU 123 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 56.01 55.67 2ch0 n LEU 123 Cb 0.00 -0.45 -0.15 0.00 -0.11 0.00 0.00 43.42 42.72 2ch0 n LEU 123 CO 0.00 0.00 -0.46 -0.62 -1.51 0.00 0.00 177.39 174.80 2ch0 s ASP 124 N -2.80 3.84 0.00 -1.43 2.15 -1.26 -5.06 116.67 112.10 2ch0 s ASP 124 Ca 0.00 -0.43 0.00 0.00 0.43 0.00 0.00 52.55 52.55 2ch0 s ASP 124 Cb 0.00 -1.60 0.00 0.00 -0.30 0.00 0.00 42.92 41.02 2ch0 s ASP 124 CO 0.00 0.09 0.00 0.54 -0.17 0.00 0.00 175.17 175.63 2ch0 n ARG 125 N 4.06 0.00 -3.40 4.34 3.00 -1.26 -4.85 116.66 118.54 2ch0 n ARG 125 Ca -0.19 0.26 -0.26 0.00 -0.01 0.00 0.00 57.85 57.65 2ch0 n ARG 125 Cb 0.52 -0.75 -0.09 0.00 0.00 0.00 0.00 32.46 32.14 2ch0 n ARG 125 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2ch0 n ARG 126 N -2.23 1.27 0.00 5.56 0.63 -1.26 -5.04 116.66 115.59 2ch0 n ARG 126 Ca 0.00 -3.79 0.00 0.00 -0.92 0.00 0.00 57.85 53.14 2ch0 n ARG 126 Cb 0.00 -1.75 0.00 0.00 0.45 0.00 0.00 32.46 31.16 2ch0 n ARG 126 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2ch0 n LEU 127 N 1.63 0.00 -4.81 6.15 4.77 -1.26 -4.89 117.00 118.58 2ch0 n LEU 127 Ca 0.25 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.86 2ch0 n LEU 127 Cb 0.46 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.49 2ch0 n LEU 127 CO 0.23 0.00 -0.04 -1.61 -1.33 0.00 0.00 177.39 174.65 2ch0 s GLU 128 N 0.00 3.86 -0.19 3.23 0.41 -1.26 -5.07 118.70 119.69 2ch0 s GLU 128 Ca 0.00 0.10 -0.15 0.00 -0.41 0.00 0.00 54.97 54.51 2ch0 s GLU 128 Cb 0.00 -3.28 -0.07 0.00 -1.78 0.00 0.00 34.13 29.00 2ch0 s GLU 128 CO 0.00 0.57 -0.26 -2.13 -0.49 0.00 0.00 175.26 172.95 2ch0 n ARG 129 N 2.46 0.52 -1.06 1.61 0.63 -1.26 -4.71 116.66 114.86 2ch0 n ARG 129 Ca -0.16 0.33 -0.25 0.00 -0.92 0.00 0.00 57.85 56.86 2ch0 n ARG 129 Cb 0.53 -1.53 -0.08 0.00 0.45 0.00 0.00 32.46 31.82 2ch0 n ARG 129 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2ch0 n PRO 130 N -4.46 2.67 0.11 -0.14 -0.04 -1.26 -1.36 135.00 130.52 2ch0 n PRO 130 Ca -0.20 -1.54 0.00 0.00 -0.04 0.00 0.00 63.50 61.72 2ch0 n PRO 130 Cb 0.53 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 2ch0 n PRO 130 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2ch0 n HIS 131 N 3.20 -1.78 -0.09 0.54 -0.00 -1.26 -4.93 115.22 110.90 2ch0 n HIS 131 Ca 0.57 0.31 -0.10 0.00 -0.00 0.00 0.00 57.72 58.51 2ch0 n HIS 131 Cb 0.48 0.46 -0.15 0.00 -0.00 0.00 0.00 29.99 30.79 2ch0 n HIS 131 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 2ch0 n ARG 132 N -3.36 0.91 0.00 1.57 1.74 -1.13 -5.26 116.66 111.13 2ch0 n ARG 132 Ca 0.00 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 2ch0 n ARG 132 Cb 0.02 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 2ch0 n ARG 132 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64