#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 -0.24 0.67 1.61 0.01 -1.26 -5.19 113.70 109.31 2ch0 s SER 2 Ca 0.00 0.16 -0.11 0.00 1.31 0.00 0.00 55.95 57.31 2ch0 s SER 2 Cb 0.00 0.21 -0.01 0.00 0.21 0.00 0.00 66.02 66.44 2ch0 s SER 2 CO 0.00 -0.29 1.06 -2.84 0.41 0.00 0.00 173.24 171.58 2ch0 s PRO 3 N -1.73 3.16 0.00 12.44 0.02 -1.26 -4.55 135.00 143.08 2ch0 s PRO 3 Ca 0.04 0.71 0.00 0.00 0.02 0.00 0.00 61.00 61.77 2ch0 s PRO 3 Cb -0.01 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.48 2ch0 s PRO 3 CO -0.04 -0.87 0.00 0.39 -0.33 0.00 0.00 177.00 176.15 2ch0 n GLU 4 N -2.94 0.00 -1.58 5.54 -0.58 -1.26 -4.45 120.64 115.37 2ch0 n GLU 4 Ca 0.07 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.80 2ch0 n GLU 4 Cb 0.55 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.42 2ch0 n GLU 4 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2ch0 n PHE 5 N 0.00 -0.14 -0.35 -0.32 7.35 -1.26 -5.01 117.46 117.73 2ch0 n PHE 5 Ca 0.00 0.05 -0.14 0.00 -0.76 0.00 0.00 57.45 56.60 2ch0 n PHE 5 Cb 0.00 -1.94 0.12 0.00 0.35 0.00 0.00 39.48 38.00 2ch0 n PHE 5 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2ch0 n ARG 6 N -1.22 1.84 0.00 -4.13 3.00 -1.26 -4.75 116.66 110.13 2ch0 n ARG 6 Ca -0.00 -1.83 0.00 0.00 -0.00 0.00 0.00 57.85 56.02 2ch0 n ARG 6 Cb 0.50 -1.73 0.00 0.00 0.00 0.00 0.00 32.46 31.23 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 -0.46 0.00 0.73 -0.14 4.27 -1.26 -4.17 117.44 116.41 2ch0 n TRP 7 Ca 0.36 0.00 0.10 0.00 -3.89 0.00 0.00 57.50 54.07 2ch0 n TRP 7 Cb 1.20 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 31.03 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 -0.70 0.01 -0.11 -1.67 5.66 -1.26 -4.70 114.28 111.50 2ch0 n THR 8 Ca 0.00 -0.13 0.27 0.00 -3.05 0.00 0.00 64.05 61.14 2ch0 n THR 8 Cb 0.00 0.71 0.70 0.00 -1.55 0.00 0.00 70.33 70.19 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 1.57 -1.86 -0.96 116.57 116.41 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 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 2ch0 h LYS 9 CO 0.00 0.00 0.15 0.39 -0.57 0.00 0.00 179.45 179.42 2ch0 n GLU 10 N -3.83 0.11 0.21 3.15 1.02 -1.26 -0.59 120.64 119.45 2ch0 n GLU 10 Ca 0.16 0.60 0.05 0.00 -0.02 0.00 0.00 57.16 57.95 2ch0 n GLU 10 Cb 0.99 -2.02 0.45 0.00 -0.02 0.00 0.00 31.44 30.84 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 -0.15 3.49 3.07 -1.56 -2.93 114.58 116.50 2ch0 h GLU 11 Ca 0.00 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.72 2ch0 h GLU 11 Cb 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 2ch0 h GLU 11 CO 0.00 0.29 -0.44 1.49 -1.40 0.00 0.00 179.01 178.95 2ch0 h GLU 12 N 0.00 0.57 -0.75 2.33 4.81 -1.07 -1.01 114.58 119.45 2ch0 h GLU 12 Ca -0.00 -0.41 -0.01 0.00 -0.13 0.00 0.00 59.36 58.81 2ch0 h GLU 12 Cb 0.56 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.97 2ch0 h GLU 12 CO 0.04 1.03 0.42 0.93 -0.73 0.00 0.00 179.01 180.70 2ch0 h GLU 13 N 0.21 1.03 0.00 1.92 4.39 -1.67 -3.13 114.58 117.33 2ch0 h GLU 13 Ca -0.01 -0.11 -0.18 0.00 0.34 0.00 0.00 59.36 59.40 2ch0 h GLU 13 Cb 1.06 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 29.48 2ch0 h GLU 13 CO 0.10 0.75 -0.87 1.79 -1.16 0.00 0.00 179.01 179.61 2ch0 h THR 14 N 1.05 1.54 -1.07 1.13 1.35 -1.57 -3.47 112.91 111.86 2ch0 h THR 14 Ca 0.27 -3.07 -0.80 0.00 -0.55 0.00 0.00 66.41 62.25 2ch0 h THR 14 Cb 0.01 2.70 0.04 0.00 -1.73 0.00 0.00 68.15 69.16 2ch0 h THR 14 CO -0.05 0.85 0.27 -1.14 -0.25 0.00 0.00 175.52 175.21 2ch0 n ARG 15 N -3.37 0.12 0.00 4.72 0.63 -0.39 -3.05 116.66 115.32 2ch0 n ARG 15 Ca 0.00 0.04 0.00 0.00 -0.92 0.00 0.00 57.85 56.98 2ch0 n ARG 15 Cb 0.87 -1.56 0.00 0.00 0.45 0.00 0.00 32.46 32.22 2ch0 n ARG 15 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 2ch0 n GLN 16 N 2.32 0.00 -0.29 -0.14 0.00 -1.26 -4.94 117.38 113.07 2ch0 n GLN 16 Ca 0.23 0.00 0.10 0.00 -0.00 0.00 0.00 57.00 57.33 2ch0 n GLN 16 Cb 0.05 0.00 0.26 0.00 0.00 0.00 0.00 30.24 30.55 2ch0 n GLN 16 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.06 179.04 2ch0 h MET 17 N 0.00 0.47 0.00 3.69 4.05 -1.87 -0.98 114.93 120.29 2ch0 h MET 17 Ca 0.00 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 2ch0 h MET 17 Cb 0.00 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 30.69 2ch0 h MET 17 CO 0.00 0.31 0.00 1.88 0.23 0.00 0.00 176.91 179.33 2ch0 h TYR 18 N 0.48 0.00 0.00 1.39 0.05 -1.92 -2.96 116.97 114.01 2ch0 h TYR 18 Ca 0.50 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.28 2ch0 h TYR 18 Cb 0.85 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.59 2ch0 h TYR 18 CO -0.13 0.00 0.00 -0.25 -1.05 0.00 0.00 178.16 176.73 2ch0 n ASP 19 N -2.66 0.00 0.14 3.88 8.00 -0.38 -4.77 116.55 120.77 2ch0 n ASP 19 Ca 0.00 0.00 0.19 0.00 0.71 0.00 0.00 54.79 55.69 2ch0 n ASP 19 Cb 0.20 0.00 0.78 0.00 -0.02 0.00 0.00 41.12 42.08 2ch0 n ASP 19 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 2ch0 h MET 20 N 0.00 0.00 -0.09 -1.24 1.85 -1.72 -3.02 114.93 110.70 2ch0 h MET 20 Ca 0.00 0.00 -0.14 0.00 -0.61 0.00 0.00 59.70 58.95 2ch0 h MET 20 Cb 0.00 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.02 2ch0 h MET 20 CO 0.00 0.00 -0.54 0.28 -0.40 0.00 0.00 176.91 176.25 2ch0 h VAL 21 N 0.00 1.36 -0.91 -5.77 2.07 -1.70 -3.32 116.25 107.98 2ch0 h VAL 21 Ca 0.14 -1.83 0.17 0.00 0.82 0.00 0.00 66.70 66.00 2ch0 h VAL 21 Cb 0.78 1.88 -0.07 0.00 -1.52 0.00 0.00 31.29 32.36 2ch0 h VAL 21 CO -0.00 0.54 0.58 0.58 0.02 0.00 0.00 177.57 179.30 2ch0 h VAL 22 N 0.21 0.77 -0.05 2.57 2.07 -1.57 -2.24 116.25 118.02 2ch0 h VAL 22 Ca 0.00 -0.21 -0.20 0.00 0.82 0.00 0.00 66.70 67.12 2ch0 h VAL 22 Cb 1.02 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2ch0 h VAL 22 CO 0.09 0.11 -0.80 0.11 0.02 0.00 0.00 177.57 177.10 2ch0 h LYS 23 N 0.61 0.38 0.02 1.57 6.56 -1.79 -3.37 116.57 120.56 2ch0 h LYS 23 Ca 0.47 -0.34 -0.23 0.00 -1.06 0.00 0.00 60.65 59.49 2ch0 h LYS 23 Cb 0.87 0.08 -0.00 0.00 -0.57 0.00 0.00 32.23 32.61 2ch0 h LYS 23 CO -0.22 1.00 -0.97 0.82 -2.06 0.00 0.00 179.45 178.02 2ch0 h ILE 24 N 0.25 1.44 -0.65 1.86 2.04 -1.55 -3.27 117.51 117.62 2ch0 h ILE 24 Ca -0.04 -2.58 0.19 0.00 1.00 0.00 0.00 64.86 63.42 2ch0 h ILE 24 Cb 1.39 2.51 -0.03 0.00 -0.74 0.00 0.00 36.82 39.95 2ch0 h ILE 24 CO 0.14 0.76 0.48 0.16 0.00 0.00 0.00 178.15 179.68 2ch0 h ILE 25 N 0.18 0.65 -0.48 -0.67 3.07 -1.58 -1.28 117.51 117.40 2ch0 h ILE 25 Ca -0.08 0.00 -0.03 0.00 1.55 0.00 0.00 64.86 66.30 2ch0 h ILE 25 Cb 1.62 0.67 -0.02 0.00 -0.27 0.00 0.00 36.82 38.81 2ch0 h ILE 25 CO 0.16 0.00 0.17 0.44 -1.05 0.00 0.00 178.15 177.87 2ch0 h ASP 26 N 0.00 0.63 -0.28 2.16 3.32 -1.73 -0.22 116.42 120.30 2ch0 h ASP 26 Ca 0.31 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 2ch0 h ASP 26 Cb 1.26 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.63 2ch0 h ASP 26 CO -0.00 0.59 0.08 -0.37 -1.72 0.00 0.00 179.24 177.82 2ch0 h VAL 27 N 0.69 1.21 0.13 -1.35 -1.51 -1.39 -3.15 116.25 110.88 2ch0 h VAL 27 Ca 0.16 -0.67 -0.01 0.00 -1.23 0.00 0.00 66.70 64.95 2ch0 h VAL 27 Cb 0.17 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.45 2ch0 h VAL 27 CO -0.01 0.22 -0.06 -0.07 -1.23 0.00 0.00 177.57 176.42 2ch0 h LEU 28 N 0.29 -0.14 -2.05 4.19 4.07 -1.49 -3.27 115.31 116.91 2ch0 h LEU 28 Ca 0.09 -0.15 0.12 0.00 0.08 0.00 0.00 57.88 58.02 2ch0 h LEU 28 Cb 0.26 0.04 -0.02 0.00 1.08 0.00 0.00 40.66 42.02 2ch0 h LEU 28 CO -0.00 0.07 0.37 0.03 -1.08 0.00 0.00 178.44 177.82 2ch0 h ARG 29 N -0.35 0.00 0.02 1.13 3.08 -1.13 -3.10 114.38 114.02 2ch0 h ARG 29 Ca -0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.03 2ch0 h ARG 29 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2ch0 h ARG 29 CO 0.03 0.00 -0.01 1.03 -1.07 0.00 0.00 179.97 179.95 2ch0 h SER 30 N 0.00 -0.03 -0.45 7.04 0.87 -1.60 -3.08 113.55 116.30 2ch0 h SER 30 Ca 0.19 -0.71 0.10 0.00 -1.23 0.00 0.00 61.79 60.14 2ch0 h SER 30 Cb 0.92 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.87 2ch0 h SER 30 CO -0.00 0.75 0.31 0.45 -0.53 0.00 0.00 176.83 177.81 2ch0 h HIS 31 N -0.87 0.16 -0.03 2.24 3.86 -1.60 -2.71 115.15 116.20 2ch0 h HIS 31 Ca -0.00 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.08 2ch0 h HIS 31 Cb 0.74 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.14 2ch0 h HIS 31 CO 0.19 0.08 -0.58 -0.91 0.86 0.00 0.00 177.93 177.56 2ch0 h ASN 32 N 0.15 0.12 -0.27 2.45 -0.26 -1.59 0.29 115.58 116.48 2ch0 h ASN 32 Ca 0.21 -0.07 -0.19 0.00 -0.56 0.00 0.00 56.30 55.69 2ch0 h ASN 32 Cb 0.64 -0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.87 2ch0 h ASN 32 CO -0.03 0.67 -0.59 -0.33 -1.06 0.00 0.00 177.43 176.09 2ch0 h GLU 33 N 0.08 0.87 0.00 0.81 4.39 -1.39 -3.08 114.58 116.26 2ch0 h GLU 33 Ca -0.00 -0.58 -0.07 0.00 0.34 0.00 0.00 59.36 59.04 2ch0 h GLU 33 Cb 1.05 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 2ch0 h GLU 33 CO 0.08 1.21 -0.33 0.00 -1.16 0.00 0.00 179.01 178.82 2ch0 h ALA 34 N 0.66 0.97 -0.37 3.43 0.00 -1.50 -3.38 119.26 119.06 2ch0 h ALA 34 Ca 0.00 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.45 2ch0 h ALA 34 Cb 1.21 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2ch0 h ALA 34 CO 0.13 0.41 -0.41 0.00 0.00 0.00 0.00 179.25 179.38 2ch0 n GLN 36 N -4.05 0.04 -0.01 0.00 -0.00 -1.22 -1.80 117.38 110.34 2ch0 n GLN 36 Ca -0.02 0.47 0.08 0.00 -0.00 0.00 0.00 57.00 57.52 2ch0 n GLN 36 Cb 0.56 -1.61 -0.12 0.00 -0.00 0.00 0.00 30.24 29.07 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 -1.69 0.71 -4.23 2.61 4.07 -1.20 -4.96 120.64 115.94 2ch0 n GLU 37 Ca 0.01 -0.12 -0.14 0.00 -0.06 0.00 0.00 57.16 56.84 2ch0 n GLU 37 Cb 0.06 -1.35 -0.10 0.00 -0.06 0.00 0.00 31.44 30.00 2ch0 n GLU 37 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 2ch0 s ASN 38 N -3.58 0.65 -0.10 4.31 3.84 -0.75 -4.77 114.94 114.55 2ch0 s ASN 38 Ca -0.04 -1.49 -0.26 0.00 0.21 0.00 0.00 52.86 51.29 2ch0 s ASN 38 Cb 0.10 0.41 -0.29 0.00 -0.55 0.00 0.00 41.25 40.93 2ch0 s ASN 38 CO 0.64 -0.89 0.82 0.07 -2.79 0.00 0.00 177.10 174.96 2ch0 h LYS 39 N 2.47 0.14 -1.46 0.43 5.09 -1.81 -3.43 116.57 118.01 2ch0 h LYS 39 Ca -0.33 -0.24 -0.22 0.00 0.09 0.00 0.00 60.65 59.95 2ch0 h LYS 39 Cb 1.25 0.09 -0.25 0.00 0.10 0.00 0.00 32.23 33.42 2ch0 h LYS 39 CO 0.50 1.12 -0.57 0.16 -2.09 0.00 0.00 179.45 178.56 2ch0 s ASP 40 N -6.58 -0.25 0.49 7.07 1.47 -1.26 -4.20 116.67 113.40 2ch0 s ASP 40 Ca -0.17 -1.27 0.20 0.00 1.18 0.00 0.00 52.55 52.49 2ch0 s ASP 40 Cb -0.01 1.27 1.26 0.00 -0.34 0.00 0.00 42.92 45.10 2ch0 s ASP 40 CO 0.76 -0.20 2.07 0.17 0.68 0.00 0.00 175.17 178.65 2ch0 h LEU 41 N 6.85 0.00 -3.94 2.11 -0.00 -1.87 -3.09 115.31 115.37 2ch0 h LEU 41 Ca 0.06 0.00 -0.63 0.00 -0.00 0.00 0.00 57.88 57.31 2ch0 h LEU 41 Cb 1.11 0.00 -0.28 0.00 -0.00 0.00 0.00 40.66 41.50 2ch0 h LEU 41 CO 0.14 0.12 0.81 1.67 -0.00 0.00 0.00 178.44 181.19 2ch0 n GLN 42 N -4.13 2.56 -0.55 0.17 -0.06 -1.26 -4.76 117.38 109.35 2ch0 n GLN 42 Ca -0.02 -3.09 0.45 0.00 -2.00 0.00 0.00 57.00 52.34 2ch0 n GLN 42 Cb 0.20 -2.21 0.77 0.00 -4.06 0.00 0.00 30.24 24.94 2ch0 n GLN 42 CO 0.00 0.00 0.00 -1.00 -0.20 0.00 0.00 177.06 175.86 2ch0 h PRO 43 N 1.85 0.02 -3.26 3.69 0.13 -1.84 -2.62 132.00 129.98 2ch0 h PRO 43 Ca 0.58 -0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.65 2ch0 h PRO 43 Cb 1.01 -0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.99 2ch0 h PRO 43 CO 1.47 0.01 -0.07 0.71 -0.23 0.00 0.00 178.00 179.89 2ch0 s TYR 44 N -4.96 -0.24 -0.24 1.56 2.02 -1.26 -4.65 117.35 109.58 2ch0 s TYR 44 Ca -0.05 0.01 -0.13 0.00 -0.37 0.00 0.00 57.07 56.53 2ch0 s TYR 44 Cb 0.26 0.26 0.08 0.00 -0.40 0.00 0.00 41.96 42.16 2ch0 s TYR 44 CO 0.86 -0.67 0.58 1.41 -1.57 0.00 0.00 175.55 176.16 2ch0 s MET 45 N -3.40 0.57 0.91 -0.62 0.00 -0.09 -4.90 119.30 111.77 2ch0 s MET 45 Ca 0.00 1.11 -0.12 0.00 0.00 0.00 0.00 55.69 56.69 2ch0 s MET 45 Cb 0.01 0.19 0.14 0.00 0.00 0.00 0.00 34.83 35.17 2ch0 s MET 45 CO -0.09 -0.17 1.10 -1.25 0.00 0.00 0.00 175.02 174.61 2ch0 s PRO 46 N 1.79 1.13 0.09 4.11 0.04 -1.26 -0.85 135.00 140.04 2ch0 s PRO 46 Ca -0.09 0.60 -0.21 0.00 0.04 0.00 0.00 61.00 61.34 2ch0 s PRO 46 Cb -0.07 -1.81 -0.10 0.00 0.04 0.00 0.00 34.50 32.55 2ch0 s PRO 46 CO -0.17 -2.27 1.63 0.82 0.04 0.00 0.00 177.00 177.04 2ch0 h ILE 47 N -1.56 1.15 0.00 0.56 2.04 -1.94 -1.69 117.51 116.07 2ch0 h ILE 47 Ca -0.51 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 64.90 2ch0 h ILE 47 Cb 1.30 1.16 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 2ch0 h ILE 47 CO 0.58 0.14 0.36 -0.81 0.00 0.00 0.00 178.15 178.42 2ch0 n PRO 48 N -4.87 0.06 -0.10 2.37 -0.05 -1.26 -1.12 135.00 130.02 2ch0 n PRO 48 Ca -0.05 0.47 -0.07 0.00 -0.05 0.00 0.00 63.50 63.81 2ch0 n PRO 48 Cb 0.12 -2.04 0.01 0.00 -0.05 0.00 0.00 33.50 31.54 2ch0 n PRO 48 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 175.50 176.70 2ch0 h HIS 49 N 0.00 0.18 0.02 0.54 2.76 -1.66 0.98 115.15 117.97 2ch0 h HIS 49 Ca 0.00 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2ch0 h HIS 49 Cb 0.72 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.65 2ch0 h HIS 49 CO 0.00 0.07 -0.01 -0.24 -1.30 0.00 0.00 177.93 176.45 2ch0 h VAL 50 N 0.24 1.41 0.00 5.26 3.04 -1.71 -3.37 116.25 121.12 2ch0 h VAL 50 Ca 0.15 -1.88 0.00 0.00 -1.01 0.00 0.00 66.70 63.96 2ch0 h VAL 50 Cb 0.14 2.58 0.00 0.00 -2.01 0.00 0.00 31.29 32.00 2ch0 h VAL 50 CO -0.17 0.45 0.00 0.03 -1.01 0.00 0.00 177.57 176.87 2ch0 h ARG 51 N -0.92 0.00 0.00 4.17 3.08 -1.08 -1.22 114.38 118.41 2ch0 h ARG 51 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2ch0 h ARG 51 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.80 2ch0 h ARG 51 CO 0.00 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.65 2ch0 n ASP 52 N -2.54 0.73 0.04 7.04 8.00 0.34 -4.36 116.55 125.81 2ch0 n ASP 52 Ca -0.02 0.60 0.12 0.00 0.71 0.00 0.00 54.79 56.19 2ch0 n ASP 52 Cb 0.05 -0.78 0.09 0.00 -0.02 0.00 0.00 41.12 40.46 2ch0 n ASP 52 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2ch0 n SER 53 N -2.21 0.65 0.25 -2.24 2.88 -0.46 -4.23 113.62 108.25 2ch0 n SER 53 Ca 0.05 -0.04 0.10 0.00 -1.33 0.00 0.00 58.87 57.65 2ch0 n SER 53 Cb 0.37 0.50 0.63 0.00 -0.75 0.00 0.00 64.21 64.97 2ch0 n SER 53 CO 0.00 0.00 0.00 0.17 -1.23 0.00 0.00 175.04 173.98 2ch0 h LEU 54 N 0.00 0.00 -7.12 2.46 -0.00 -1.76 -3.40 115.31 105.49 2ch0 h LEU 54 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.82 2ch0 h LEU 54 Cb 0.75 0.00 -0.24 0.00 -0.00 0.00 0.00 40.66 41.17 2ch0 h LEU 54 CO 0.00 0.17 -0.18 -0.63 -0.00 0.00 0.00 178.44 177.80 2ch0 s ILE 55 N -4.17 -0.09 0.04 0.15 1.09 -1.26 -4.99 121.20 111.97 2ch0 s ILE 55 Ca -0.03 0.06 -0.26 0.00 -1.10 0.00 0.00 60.65 59.33 2ch0 s ILE 55 Cb 0.13 -0.77 -0.17 0.00 -1.06 0.00 0.00 42.46 40.59 2ch0 s ILE 55 CO 0.62 0.02 1.45 1.56 -0.10 0.00 0.00 174.94 178.49 2ch0 h GLN 56 N 7.18 -0.28 0.00 2.79 4.20 -1.78 -3.36 115.11 123.87 2ch0 h GLN 56 Ca -0.32 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.41 2ch0 h GLN 56 Cb 1.19 0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.04 2ch0 h GLN 56 CO 0.23 -0.03 0.00 -0.35 -0.67 0.00 0.00 178.83 178.01 2ch0 n PRO 57 N -5.12 0.00 0.15 1.46 -0.04 -1.26 -4.80 135.00 125.39 2ch0 n PRO 57 Ca -0.09 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.39 2ch0 n PRO 57 Cb 0.21 0.00 0.14 0.00 -0.04 0.00 0.00 33.50 33.81 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 -0.14 0.54 2.07 -2.00 -3.28 115.15 112.34 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 0.53 0.00 -0.25 -3.07 0.00 0.00 177.93 175.14 2ch0 n ASP 59 N -3.40 1.02 -0.35 3.10 8.00 -1.26 -4.35 116.55 119.30 2ch0 n ASP 59 Ca 0.01 -1.77 -0.03 0.00 0.71 0.00 0.00 54.79 53.71 2ch0 n ASP 59 Cb 0.66 -0.09 0.10 0.00 -0.02 0.00 0.00 41.12 41.76 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 1.25 1.28 0.00 -1.24 -0.00 -1.71 -2.98 114.38 110.97 2ch0 h ARG 60 Ca 0.00 -0.11 -0.02 0.00 -0.00 0.00 0.00 59.98 59.84 2ch0 h ARG 60 Cb 0.28 -0.27 -0.00 0.00 -0.00 0.00 0.00 29.97 29.98 2ch0 h ARG 60 CO 0.00 0.89 -0.11 -0.22 -0.00 0.00 0.00 179.97 180.53 2ch0 h LYS 61 N 1.30 0.00 -0.24 0.08 3.11 -1.87 -2.37 116.57 116.58 2ch0 h LYS 61 Ca 0.34 0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 58.15 2ch0 h LYS 61 Cb -0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.15 2ch0 h LYS 61 CO -0.06 0.11 0.00 -0.22 -2.81 0.00 0.00 179.45 176.47 2ch0 h LYS 62 N 0.00 0.36 -0.17 1.90 3.11 -1.84 -2.89 116.57 117.04 2ch0 h LYS 62 Ca -0.00 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 2ch0 h LYS 62 Cb 0.27 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.44 2ch0 h LYS 62 CO 0.01 0.38 0.00 -1.33 -2.81 0.00 0.00 179.45 175.71 2ch0 n MET 63 N -4.34 1.69 0.00 1.90 2.81 -1.13 -4.40 117.12 113.65 2ch0 n MET 63 Ca 0.00 -1.58 -0.13 0.00 -1.81 0.00 0.00 57.70 54.19 2ch0 n MET 63 Cb 0.20 -1.23 -0.01 0.00 -0.71 0.00 0.00 33.22 31.47 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 1.99 0.62 -0.39 0.03 1.63 -1.23 -1.94 116.57 117.29 2ch0 h LYS 64 Ca 0.00 -0.47 -0.09 0.00 -0.85 0.00 0.00 60.65 59.24 2ch0 h LYS 64 Cb 0.58 0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.28 2ch0 h LYS 64 CO 0.00 1.09 -0.12 -0.22 -3.45 0.00 0.00 179.45 176.75 2ch0 h LYS 65 N 0.44 0.69 0.00 1.90 3.64 -1.72 -2.97 116.57 118.55 2ch0 h LYS 65 Ca -0.02 -0.22 -0.19 0.00 -1.27 0.00 0.00 60.65 58.95 2ch0 h LYS 65 Cb 1.28 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 2ch0 h LYS 65 CO 0.13 0.79 -0.85 -0.24 -2.27 0.00 0.00 179.45 177.01 2ch0 h VAL 66 N 0.63 1.52 -0.87 2.00 3.04 -1.77 -3.28 116.25 117.52 2ch0 h VAL 66 Ca 0.11 -2.65 0.15 0.00 -1.01 0.00 0.00 66.70 63.30 2ch0 h VAL 66 Cb 0.57 2.46 -0.07 0.00 -2.01 0.00 0.00 31.29 32.24 2ch0 h VAL 66 CO 0.04 0.77 0.57 -0.25 -1.01 0.00 0.00 177.57 177.68 2ch0 h TRP 67 N 0.07 0.72 -0.80 3.17 2.91 -1.19 0.28 115.95 121.12 2ch0 h TRP 67 Ca -0.03 0.02 0.10 0.00 1.13 0.00 0.00 58.89 60.11 2ch0 h TRP 67 Cb 1.47 -0.23 -0.08 0.00 -0.51 0.00 0.00 29.16 29.82 2ch0 h TRP 67 CO 0.02 0.25 0.44 -0.44 -1.03 0.00 0.00 178.44 177.68 2ch0 h ASP 68 N 0.60 0.60 0.00 2.65 3.32 -1.60 -0.72 116.42 121.28 2ch0 h ASP 68 Ca 0.44 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.54 2ch0 h ASP 68 Cb 0.82 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.31 2ch0 h ASP 68 CO -0.19 0.33 -0.04 -0.09 -1.72 0.00 0.00 179.24 177.53 2ch0 h ARG 69 N 0.72 0.02 -0.76 3.56 1.12 -1.49 -3.39 114.38 114.16 2ch0 h ARG 69 Ca 0.39 -0.03 0.18 0.00 -1.11 0.00 0.00 59.98 59.42 2ch0 h ARG 69 Cb 0.40 0.01 -0.05 0.00 -0.01 0.00 0.00 29.97 30.33 2ch0 h ARG 69 CO -0.27 0.88 0.52 0.00 -3.11 0.00 0.00 179.97 178.00 2ch0 h ALA 70 N 0.14 2.34 -0.43 2.80 0.00 -0.29 -0.62 119.26 123.21 2ch0 h ALA 70 Ca -0.01 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.95 2ch0 h ALA 70 Cb 0.90 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 2ch0 h ALA 70 CO 0.01 -0.56 0.29 0.28 0.00 0.00 0.00 179.25 179.26 2ch0 h VAL 71 N 0.25 0.97 -0.66 0.00 2.07 -1.32 -0.83 116.25 116.74 2ch0 h VAL 71 Ca 0.38 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.78 2ch0 h VAL 71 Cb 1.10 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.42 2ch0 h VAL 71 CO -0.09 0.07 0.43 -0.78 0.02 0.00 0.00 177.57 177.22 2ch0 h ASP 72 N 0.36 0.76 0.11 0.57 3.58 -1.30 0.23 116.42 120.73 2ch0 h ASP 72 Ca 0.18 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.60 2ch0 h ASP 72 Cb 0.28 -0.19 0.00 0.00 1.72 0.00 0.00 39.33 41.14 2ch0 h ASP 72 CO -0.04 0.56 -0.05 -0.26 -2.88 0.00 0.00 179.24 176.56 2ch0 h PHE 73 N 0.90 -0.14 -0.94 0.28 0.04 -1.64 -3.37 116.94 112.08 2ch0 h PHE 73 Ca 0.24 -0.00 0.04 0.00 2.80 0.00 0.00 57.97 61.05 2ch0 h PHE 73 Cb -0.09 0.04 -0.06 0.00 2.20 0.00 0.00 35.95 38.04 2ch0 h PHE 73 CO 0.00 0.25 0.60 1.25 -0.60 0.00 0.00 178.31 179.82 2ch0 h LEU 74 N -0.96 0.99 -0.31 1.54 5.85 -1.03 -3.08 115.31 118.32 2ch0 h LEU 74 Ca -0.01 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2ch0 h LEU 74 Cb 0.45 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.26 2ch0 h LEU 74 CO 0.02 0.67 0.00 0.00 -0.34 0.00 0.00 178.44 178.79 2ch0 n ALA 75 N -2.36 1.55 1.56 1.25 0.00 0.79 -3.86 120.51 119.43 2ch0 n ALA 75 Ca 0.13 0.01 0.03 0.00 0.00 0.00 0.00 53.44 53.61 2ch0 n ALA 75 Cb 0.12 -1.26 0.15 0.00 0.00 0.00 0.00 19.45 18.46 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 -1.60 2.31 -2.40 0.00 0.00 -1.16 -4.79 120.51 112.87 2ch0 n ALA 76 Ca 0.02 -0.03 -0.21 0.00 0.00 0.00 0.00 53.44 53.22 2ch0 n ALA 76 Cb 0.16 -1.08 -0.09 0.00 0.00 0.00 0.00 19.45 18.44 2ch0 n ALA 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ch0 s ASN 77 N -1.38 1.97 -0.11 0.00 2.20 -1.25 -5.15 114.94 111.22 2ch0 s ASN 77 Ca 0.08 -1.56 -0.01 0.00 -0.94 0.00 0.00 52.86 50.43 2ch0 s ASN 77 Cb 0.03 0.35 -0.02 0.00 -2.00 0.00 0.00 41.25 39.61 2ch0 s ASN 77 CO 0.06 -0.86 -0.08 -0.70 -2.94 0.00 0.00 177.10 172.58 2ch0 s GLU 78 N -3.80 3.19 0.00 3.55 2.56 -1.26 -5.11 118.70 117.83 2ch0 s GLU 78 Ca 0.33 -0.59 0.00 0.00 0.00 0.00 0.00 54.97 54.71 2ch0 s GLU 78 Cb 0.05 -2.68 0.00 0.00 2.00 0.00 0.00 34.13 33.50 2ch0 s GLU 78 CO 0.16 0.40 0.00 0.45 -0.56 0.00 0.00 175.26 175.72 2ch0 n SER 79 N 3.00 0.00 -0.93 -1.70 2.88 -1.26 -5.08 113.62 110.52 2ch0 n SER 79 Ca -0.18 -0.35 0.11 0.00 -1.33 0.00 0.00 58.87 57.12 2ch0 n SER 79 Cb 0.53 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 64.26 2ch0 n SER 79 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2ch0 n ARG 80 N 0.00 2.21 -4.56 -1.46 5.12 -1.26 -4.91 116.66 111.81 2ch0 n ARG 80 Ca 0.00 -1.84 -0.34 0.00 -1.93 0.00 0.00 57.85 53.74 2ch0 n ARG 80 Cb 0.00 -1.46 -0.11 0.00 -1.16 0.00 0.00 32.46 29.73 2ch0 n ARG 80 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2ch0 s VAL 81 N -1.57 3.86 -0.03 1.55 0.11 -1.26 -3.14 120.40 119.92 2ch0 s VAL 81 Ca 0.36 -0.42 0.07 0.00 -2.93 0.00 0.00 61.98 59.06 2ch0 s VAL 81 Cb 0.20 -2.59 -0.02 0.00 -1.53 0.00 0.00 36.38 32.44 2ch0 s VAL 81 CO 0.29 0.60 -0.25 -0.60 -3.33 0.00 0.00 175.10 171.81 2ch0 s ARG 82 N -0.79 2.21 -0.10 1.54 3.00 -1.09 -5.01 118.95 118.71 2ch0 s ARG 82 Ca 0.12 -0.89 -0.03 0.00 -1.00 0.00 0.00 55.73 53.94 2ch0 s ARG 82 Cb -0.11 -2.02 -0.03 0.00 0.00 0.00 0.00 34.95 32.79 2ch0 s ARG 82 CO 0.02 0.47 0.01 0.99 0.00 0.00 0.00 175.30 176.79 2ch0 s THR 83 N -0.40 4.39 0.13 4.11 2.01 -1.26 -2.12 115.64 122.50 2ch0 s THR 83 Ca 0.04 -0.21 -0.10 0.00 0.31 0.00 0.00 61.69 61.73 2ch0 s THR 83 Cb -0.11 -2.87 -0.00 0.00 0.01 0.00 0.00 72.50 69.53 2ch0 s THR 83 CO 0.01 0.59 0.27 -1.83 -0.69 0.00 0.00 174.62 172.96 2ch0 s GLU 84 N -0.68 1.04 -0.40 4.92 -1.05 -1.09 -5.06 118.70 116.38 2ch0 s GLU 84 Ca 0.11 -1.03 -0.15 0.00 -0.15 0.00 0.00 54.97 53.75 2ch0 s GLU 84 Cb -0.12 0.38 0.01 0.00 -0.44 0.00 0.00 34.13 33.96 2ch0 s GLU 84 CO 0.02 -0.37 0.31 0.99 0.95 0.00 0.00 175.26 177.16 2ch0 s THR 85 N -3.91 5.24 0.02 1.83 2.01 -1.26 -2.53 115.64 117.03 2ch0 s THR 85 Ca 0.11 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 61.61 2ch0 s THR 85 Cb 0.04 -3.90 -0.01 0.00 0.01 0.00 0.00 72.50 68.63 2ch0 s THR 85 CO -0.06 -0.26 -0.03 -0.60 -0.69 0.00 0.00 174.62 172.98 2ch0 s ARG 86 N 1.77 0.27 -0.23 4.92 6.06 -0.92 -4.94 118.95 125.87 2ch0 s ARG 86 Ca 0.07 -0.43 -0.25 0.00 -2.50 0.00 0.00 55.73 52.62 2ch0 s ARG 86 Cb -0.18 -0.03 -0.00 0.00 0.06 0.00 0.00 34.95 34.79 2ch0 s ARG 86 CO 0.11 -0.01 0.85 0.50 -2.50 0.00 0.00 175.30 174.25 2ch0 s ARG 87 N -0.96 4.20 -0.08 5.12 3.52 -1.26 -2.33 118.95 127.16 2ch0 s ARG 87 Ca -0.09 0.99 -0.02 0.00 -0.13 0.00 0.00 55.73 56.47 2ch0 s ARG 87 Cb -0.07 -3.64 0.04 0.00 -1.56 0.00 0.00 34.95 29.72 2ch0 s ARG 87 CO -0.00 -0.51 0.04 0.96 -0.81 0.00 0.00 175.30 174.98 2ch0 s ILE 88 N 2.79 0.09 -0.94 4.11 -4.36 0.55 -4.78 121.20 118.67 2ch0 s ILE 88 Ca 0.36 0.17 0.00 0.00 -0.26 0.00 0.00 60.65 60.92 2ch0 s ILE 88 Cb -0.15 -0.40 0.00 0.00 1.25 0.00 0.00 42.46 43.16 2ch0 s ILE 88 CO 0.08 0.11 0.00 0.61 0.24 0.00 0.00 174.94 175.98 2ch0 n GLY 89 N 5.23 0.99 1.17 6.27 0.00 -1.26 -2.78 105.19 114.82 2ch0 n GLY 89 Ca -0.05 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.81 0.70 2.87 -0.02 0.00 -1.26 -5.08 105.19 100.58 2ch0 n GLY 90 Ca -0.09 -0.07 -0.14 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 0.16 -0.25 4.61 0.00 -1.12 -5.09 121.76 118.07 2ch0 s ALA 91 Ca 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 51.96 51.85 2ch0 s ALA 91 Cb 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.97 2ch0 s ALA 91 CO 0.00 0.00 0.24 0.16 0.00 0.00 0.00 175.76 176.16 2ch0 s ASP 92 N 0.27 6.16 0.40 0.00 -4.77 -1.26 -0.33 116.67 117.14 2ch0 s ASP 92 Ca -0.02 0.17 0.04 0.00 -3.30 0.00 0.00 52.55 49.44 2ch0 s ASP 92 Cb -0.04 -2.15 -0.05 0.00 -1.09 0.00 0.00 42.92 39.59 2ch0 s ASP 92 CO -0.01 -0.03 0.04 -0.36 0.70 0.00 0.00 175.17 175.52 2ch0 s PHE 93 N 1.44 2.09 -0.37 2.11 0.08 -0.98 -4.91 117.98 117.44 2ch0 s PHE 93 Ca 0.10 -0.92 -0.19 0.00 0.12 0.00 0.00 56.93 56.05 2ch0 s PHE 93 Cb -0.15 -1.48 0.00 0.00 -0.57 0.00 0.00 43.02 40.83 2ch0 s PHE 93 CO 0.08 0.14 0.56 -1.17 -0.10 0.00 0.00 175.22 174.73 2ch0 s LEU 94 N -3.64 4.37 0.07 -0.37 2.96 -1.26 -2.18 118.68 118.63 2ch0 s LEU 94 Ca 0.29 -0.06 0.04 0.00 -0.22 0.00 0.00 54.13 54.17 2ch0 s LEU 94 Cb 0.07 -2.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.08 2ch0 s LEU 94 CO 0.14 -0.56 -0.12 0.54 -1.32 0.00 0.00 176.35 175.03 2ch0 s VAL 95 N 2.53 0.95 0.41 1.68 0.11 -1.05 -4.44 120.40 120.59 2ch0 s VAL 95 Ca 0.20 -1.35 0.08 0.00 -2.93 0.00 0.00 61.98 57.99 2ch0 s VAL 95 Cb -0.15 -1.05 -0.01 0.00 -1.53 0.00 0.00 36.38 33.64 2ch0 s VAL 95 CO 0.15 -0.35 0.47 0.26 -3.33 0.00 0.00 175.10 172.29 2ch0 s TRP 96 N -1.60 2.77 0.03 1.54 0.51 -0.03 -2.66 118.94 119.50 2ch0 s TRP 96 Ca -0.02 -0.44 -0.25 0.00 -2.12 0.00 0.00 56.10 53.28 2ch0 s TRP 96 Cb -0.08 -2.25 0.06 0.00 -0.81 0.00 0.00 33.47 30.39 2ch0 s TRP 96 CO 0.01 -0.24 0.58 -0.98 -0.51 0.00 0.00 176.95 175.81 2ch0 s ARG 97 N -4.23 1.07 -0.30 4.98 1.70 -0.90 -0.91 118.95 120.37 2ch0 s ARG 97 Ca 0.51 -0.12 -0.18 0.00 -0.47 0.00 0.00 55.73 55.47 2ch0 s ARG 97 Cb -0.07 0.50 -0.02 0.00 -0.57 0.00 0.00 34.95 34.79 2ch0 s ARG 97 CO 0.30 -0.39 0.51 -0.46 -1.08 0.00 0.00 175.30 174.19 2ch0 s TRP 98 N -2.24 3.23 -0.17 5.89 -0.11 -0.99 -2.66 118.94 121.89 2ch0 s TRP 98 Ca -0.06 0.44 -0.05 0.00 1.22 0.00 0.00 56.10 57.65 2ch0 s TRP 98 Cb -0.01 -2.81 -0.03 0.00 -1.50 0.00 0.00 33.47 29.12 2ch0 s TRP 98 CO 0.00 -0.39 -0.00 0.96 -4.62 0.00 0.00 176.95 172.90 2ch0 s ILE 99 N 2.35 4.15 0.03 5.86 -4.36 -1.19 -4.62 121.20 123.42 2ch0 s ILE 99 Ca 0.20 -0.26 -0.10 0.00 -0.26 0.00 0.00 60.65 60.23 2ch0 s ILE 99 Cb -0.15 -2.84 0.01 0.00 1.25 0.00 0.00 42.46 40.72 2ch0 s ILE 99 CO 0.11 0.47 0.20 0.00 0.24 0.00 0.00 174.94 175.97 2ch0 s GLN 100 N 0.47 0.66 0.79 0.37 -2.07 -1.26 -4.69 119.66 113.93 2ch0 s GLN 100 Ca -0.01 -0.53 -0.12 0.00 -1.82 0.00 0.00 55.36 52.88 2ch0 s GLN 100 Cb -0.14 0.28 0.07 0.00 -1.09 0.00 0.00 33.01 32.13 2ch0 s GLN 100 CO 0.02 -0.19 1.12 -2.14 -1.32 0.00 0.00 175.29 172.79 2ch0 s PRO 101 N -2.21 1.98 1.00 9.60 0.02 -1.26 -4.90 135.00 139.22 2ch0 s PRO 101 Ca -0.08 1.38 0.00 0.00 0.02 0.00 0.00 61.00 62.32 2ch0 s PRO 101 Cb -0.03 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.64 2ch0 s PRO 101 CO -0.02 -1.88 0.00 0.45 -0.33 0.00 0.00 177.00 175.22 2ch0 n SER 102 N -3.47 0.00 -3.08 2.53 2.88 -1.26 -4.71 113.62 106.51 2ch0 n SER 102 Ca 0.11 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.44 2ch0 n SER 102 Cb 0.52 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.94 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 0.46 1.49 -1.77 -1.46 0.00 -1.26 -4.88 120.51 113.08 2ch0 n ALA 103 Ca 0.00 -2.91 0.00 0.00 0.00 0.00 0.00 53.44 50.53 2ch0 n ALA 103 Cb 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.51 2ch0 n ALA 103 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ch0 n SER 104 N 1.46 0.00 -3.44 0.00 7.64 -1.26 -4.99 113.62 113.03 2ch0 n SER 104 Ca 0.18 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.97 2ch0 n SER 104 Cb 0.56 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.74 2ch0 n SER 104 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ch0 s ASP 106 N -3.05 -0.16 0.00 0.00 2.15 -1.26 -4.21 116.67 110.14 2ch0 s ASP 106 Ca 0.18 0.23 0.07 0.00 0.43 0.00 0.00 52.55 53.46 2ch0 s ASP 106 Cb -0.04 0.37 0.06 0.00 -0.30 0.00 0.00 42.92 43.01 2ch0 s ASP 106 CO 0.11 -0.20 0.73 2.29 -0.17 0.00 0.00 175.17 177.93 2ch0 n LYS 107 N 2.37 0.02 -0.42 4.34 2.85 -1.26 -5.08 118.16 120.98 2ch0 n LYS 107 Ca -0.16 -0.93 0.00 0.00 -1.05 0.00 0.00 58.31 56.17 2ch0 n LYS 107 Cb 0.57 -1.14 0.00 0.00 -0.65 0.00 0.00 35.03 33.82 2ch0 n LYS 107 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 2ch0 n ILE 108 N 0.40 -1.36 0.03 0.58 5.41 -1.26 -5.08 119.36 118.08 2ch0 n ILE 108 Ca 0.04 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.74 2ch0 n ILE 108 Cb 0.18 -1.53 -0.03 0.00 -0.71 0.00 0.00 39.64 37.55 2ch0 n ILE 108 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 2ch0 h LEU 109 N 0.00 -0.15 -1.68 1.39 5.85 -1.98 -3.51 115.31 115.22 2ch0 h LEU 109 Ca 0.00 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.58 2ch0 h LEU 109 Cb 0.00 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2ch0 h LEU 109 CO 0.00 0.39 0.00 0.52 -0.34 0.00 0.00 178.44 179.01 2ch0 n VAL 110 N -4.88 -1.68 -1.95 1.05 0.31 -1.26 -5.04 118.33 104.88 2ch0 n VAL 110 Ca -0.04 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.87 2ch0 n VAL 110 Cb 0.14 -2.25 -0.03 0.00 -0.91 0.00 0.00 33.84 30.79 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 3.42 -1.39 2.52 1.09 -1.26 -4.97 121.20 120.61 2ch0 s ILE 111 Ca 0.00 0.57 -0.15 0.00 -1.10 0.00 0.00 60.65 59.97 2ch0 s ILE 111 Cb 0.00 -3.37 0.06 0.00 -1.06 0.00 0.00 42.46 38.09 2ch0 s ILE 111 CO 0.00 -0.04 2.02 -0.81 -0.10 0.00 0.00 174.94 176.01 2ch0 n PRO 112 N 6.95 3.02 -2.12 2.79 -0.04 -1.26 -4.84 135.00 139.49 2ch0 n PRO 112 Ca 0.17 -2.91 -0.04 0.00 -0.04 0.00 0.00 63.50 60.69 2ch0 n PRO 112 Cb 0.42 -3.34 0.01 0.00 -0.04 0.00 0.00 33.50 30.55 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 6.79 -0.78 -1.79 3.54 2.88 -1.26 -5.20 113.62 117.79 2ch0 n SER 113 Ca 0.50 -1.62 -0.06 0.00 -1.33 0.00 0.00 58.87 56.36 2ch0 n SER 113 Cb 0.41 1.32 -0.02 0.00 -0.75 0.00 0.00 64.21 65.18 2ch0 n SER 113 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2ch0 n LYS 114 N -0.20 0.35 -3.81 -1.46 5.02 -1.26 -5.20 118.16 111.60 2ch0 n LYS 114 Ca -0.03 -0.94 -0.05 0.00 -2.02 0.00 0.00 58.31 55.27 2ch0 n LYS 114 Cb 0.22 0.69 -0.02 0.00 -0.02 0.00 0.00 35.03 35.90 2ch0 n LYS 114 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2ch0 s VAL 115 N -2.24 0.00 0.00 -0.18 0.11 -1.26 -5.04 120.40 111.79 2ch0 s VAL 115 Ca 0.09 -0.85 0.00 0.00 -2.93 0.00 0.00 61.98 58.29 2ch0 s VAL 115 Cb 0.00 -2.00 0.00 0.00 -1.53 0.00 0.00 36.38 32.85 2ch0 s VAL 115 CO 0.07 0.00 0.00 1.87 -3.33 0.00 0.00 175.10 173.71 2ch0 n TRP 116 N -0.47 0.00 0.00 1.54 -0.00 -1.26 -5.05 117.44 112.21 2ch0 n TRP 116 Ca -0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 57.50 57.38 2ch0 n TRP 116 Cb 0.60 0.00 -0.13 0.00 -0.00 0.00 0.00 31.31 31.78 2ch0 n TRP 116 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 177.69 178.06 2ch0 h GLN 117 N 0.00 0.00 0.00 5.87 -0.00 -2.05 -3.51 115.11 115.43 2ch0 h GLN 117 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2ch0 h GLN 117 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.48 2ch0 h GLN 117 CO 0.00 0.60 0.00 0.41 0.00 0.00 0.00 178.83 179.84 2ch0 n GLY 118 N 1.49 0.44 3.04 2.39 0.00 -1.26 -5.08 105.19 106.21 2ch0 n GLY 118 Ca -0.12 -1.29 -0.18 0.00 0.00 0.00 0.00 46.02 44.43 2ch0 n GLY 118 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ch0 s GLN 119 N -2.00 0.70 0.49 1.61 0.74 -1.26 -5.01 119.66 114.94 2ch0 s GLN 119 Ca 0.00 -0.41 0.08 0.00 0.05 0.00 0.00 55.36 55.08 2ch0 s GLN 119 Cb 0.00 -0.66 0.03 0.00 1.10 0.00 0.00 33.01 33.47 2ch0 s GLN 119 CO 0.00 0.18 0.53 0.00 -0.55 0.00 0.00 175.29 175.45 2ch0 s ALA 120 N -0.41 4.41 -0.44 1.58 0.00 -1.26 -5.08 121.76 120.56 2ch0 s ALA 120 Ca 0.02 -1.77 0.05 0.00 0.00 0.00 0.00 51.96 50.25 2ch0 s ALA 120 Cb -0.05 -1.17 0.17 0.00 0.00 0.00 0.00 23.12 22.08 2ch0 s ALA 120 CO -0.00 -0.47 0.50 0.12 0.00 0.00 0.00 175.76 175.91 2ch0 s PHE 121 N -2.58 -0.32 -0.52 0.00 5.36 -1.26 -5.05 117.98 113.61 2ch0 s PHE 121 Ca 0.50 -1.25 0.07 0.00 -0.96 0.00 0.00 56.93 55.28 2ch0 s PHE 121 Cb -0.05 -0.30 0.24 0.00 -0.34 0.00 0.00 43.02 42.57 2ch0 s PHE 121 CO 0.30 -1.04 0.59 1.58 -1.46 0.00 0.00 175.22 175.19 2ch0 n HIS 122 N 3.25 1.47 -2.20 10.12 -0.00 -1.26 -5.03 115.22 121.58 2ch0 n HIS 122 Ca 0.21 -3.84 -0.39 0.00 0.46 0.00 0.00 57.72 54.16 2ch0 n HIS 122 Cb 0.51 -0.40 0.00 0.00 -0.12 0.00 0.00 29.99 29.98 2ch0 n HIS 122 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 2ch0 n LEU 123 N 1.36 7.55 -3.75 0.27 7.94 -1.26 -4.89 117.00 124.23 2ch0 n LEU 123 Ca 0.25 -5.00 -0.14 0.00 -1.11 0.00 0.00 56.01 50.00 2ch0 n LEU 123 Cb 0.46 -1.24 -0.15 0.00 0.53 0.00 0.00 43.42 43.03 2ch0 n LEU 123 CO 0.27 1.99 -0.27 -0.62 -1.11 0.00 0.00 177.39 177.65 2ch0 s ASP 124 N -0.50 0.04 -0.47 1.96 2.15 -1.26 -5.07 116.67 113.50 2ch0 s ASP 124 Ca 0.48 0.22 -0.06 0.00 0.43 0.00 0.00 52.55 53.63 2ch0 s ASP 124 Cb 0.24 0.11 -0.11 0.00 -0.30 0.00 0.00 42.92 42.85 2ch0 s ASP 124 CO -0.16 -0.15 3.18 0.54 -0.17 0.00 0.00 175.17 178.41 2ch0 n ARG 125 N 4.31 2.58 0.00 4.34 5.12 -1.26 -4.04 116.66 127.72 2ch0 n ARG 125 Ca -0.25 -1.77 0.00 0.00 -1.93 0.00 0.00 57.85 53.90 2ch0 n ARG 125 Cb 0.51 -2.21 0.00 0.00 -1.16 0.00 0.00 32.46 29.60 2ch0 n ARG 125 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2ch0 n ARG 126 N 2.11 0.00 -3.48 5.56 1.74 -1.26 -5.10 116.66 116.24 2ch0 n ARG 126 Ca 0.51 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 57.22 2ch0 n ARG 126 Cb 0.66 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 32.03 2ch0 n ARG 126 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2ch0 s LEU 127 N -2.17 4.21 0.19 0.55 2.96 -1.26 -5.09 118.68 118.08 2ch0 s LEU 127 Ca 0.00 0.50 -0.03 0.00 -0.22 0.00 0.00 54.13 54.39 2ch0 s LEU 127 Cb 0.00 -2.42 -0.04 0.00 0.50 0.00 0.00 46.19 44.23 2ch0 s LEU 127 CO 0.00 0.03 0.16 -1.83 -1.32 0.00 0.00 176.35 173.39 2ch0 s GLU 128 N 0.80 1.18 -0.15 1.98 -1.05 -1.26 -4.66 118.70 115.55 2ch0 s GLU 128 Ca 0.17 -1.54 -0.01 0.00 -0.15 0.00 0.00 54.97 53.45 2ch0 s GLU 128 Cb -0.14 0.29 0.00 0.00 -0.44 0.00 0.00 34.13 33.84 2ch0 s GLU 128 CO 0.06 -0.39 0.15 0.54 0.95 0.00 0.00 175.26 176.56 2ch0 n ARG 129 N -0.25 -0.35 -0.98 -4.83 5.12 -1.26 -4.48 116.66 109.63 2ch0 n ARG 129 Ca -0.00 0.76 -0.25 0.00 -1.93 0.00 0.00 57.85 56.43 2ch0 n ARG 129 Cb 0.65 -2.45 -0.06 0.00 -1.16 0.00 0.00 32.46 29.44 2ch0 n ARG 129 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2ch0 n PRO 130 N -1.00 2.58 0.00 5.56 -0.04 -1.26 -0.21 135.00 140.63 2ch0 n PRO 130 Ca 0.01 -1.55 0.00 0.00 -0.04 0.00 0.00 63.50 61.92 2ch0 n PRO 130 Cb 0.40 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 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 3.47 -0.83 -0.12 0.54 8.25 -1.26 -4.93 115.22 120.34 2ch0 n HIS 131 Ca 0.55 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.84 2ch0 n HIS 131 Cb 0.35 0.50 -0.11 0.00 1.12 0.00 0.00 29.99 31.85 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 -2.50 0.59 -0.69 -0.41 1.74 -0.79 -5.30 116.66 109.30 2ch0 n ARG 132 Ca 0.00 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 2ch0 n ARG 132 Cb 0.00 -1.47 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