#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ch0 n SER 2 N 0.00 0.00 -3.58 1.61 7.64 -1.26 -5.20 113.62 112.84 2ch0 n SER 2 Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.64 2ch0 n SER 2 Cb 0.00 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 63.36 2ch0 n SER 2 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 2ch0 n PRO 3 N 0.00 -0.99 0.00 1.43 -0.02 -1.26 -5.05 135.00 129.11 2ch0 n PRO 3 Ca 0.00 -1.70 0.00 0.00 -2.02 0.00 0.00 63.50 59.78 2ch0 n PRO 3 Cb 0.00 -1.08 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 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 -3.24 0.00 -3.16 -0.52 1.02 -1.26 -4.94 120.64 108.53 2ch0 n GLU 4 Ca 0.14 0.00 -0.23 0.00 -0.02 0.00 0.00 57.16 57.05 2ch0 n GLU 4 Cb 0.47 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.84 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 -1.61 1.50 -1.17 -0.32 3.72 -1.26 -4.97 117.46 113.35 2ch0 n PHE 5 Ca 0.00 -3.85 -0.18 0.00 -0.05 0.00 0.00 57.45 53.37 2ch0 n PHE 5 Cb 0.00 -0.44 -0.09 0.00 -0.94 0.00 0.00 39.48 38.01 2ch0 n PHE 5 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 2ch0 n ARG 6 N 0.49 2.08 -3.81 -1.08 3.00 -1.26 -4.71 116.66 111.37 2ch0 n ARG 6 Ca 0.26 -1.58 -0.22 0.00 -0.00 0.00 0.00 57.85 56.32 2ch0 n ARG 6 Cb 0.53 -1.95 -0.04 0.00 0.00 0.00 0.00 32.46 31.00 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 -0.55 2.79 0.43 -0.14 -2.14 -1.26 -5.06 118.94 113.02 2ch0 s TRP 7 Ca 0.55 -0.39 0.40 0.00 2.66 0.00 0.00 56.10 59.32 2ch0 s TRP 7 Cb 0.32 -1.88 1.98 0.00 -3.10 0.00 0.00 33.47 30.78 2ch0 s TRP 7 CO -0.10 0.13 2.21 1.15 -2.66 0.00 0.00 176.95 177.68 2ch0 h THR 8 N 1.25 0.02 0.00 0.66 2.02 -2.06 -2.75 112.91 112.05 2ch0 h THR 8 Ca -0.43 -0.22 -0.06 0.00 0.77 0.00 0.00 66.41 66.46 2ch0 h THR 8 Cb 1.26 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 2ch0 h THR 8 CO 0.60 0.00 -0.28 0.11 0.37 0.00 0.00 175.52 176.32 2ch0 h LYS 9 N 0.00 0.00 0.00 6.66 6.56 -1.97 -3.26 116.57 124.56 2ch0 h LYS 9 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2ch0 h LYS 9 Cb 0.22 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.88 2ch0 h LYS 9 CO 0.00 0.28 0.18 -0.85 -2.06 0.00 0.00 179.45 177.01 2ch0 n GLU 10 N -3.54 0.11 0.21 3.15 0.28 -1.04 -1.15 120.64 118.66 2ch0 n GLU 10 Ca -0.00 0.59 0.06 0.00 -0.16 0.00 0.00 57.16 57.64 2ch0 n GLU 10 Cb 0.43 -2.03 0.54 0.00 1.43 0.00 0.00 31.44 31.81 2ch0 n GLU 10 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2ch0 h GLU 11 N 0.00 0.07 -0.27 3.44 5.08 -1.82 0.93 114.58 122.02 2ch0 h GLU 11 Ca 0.00 -0.01 -0.17 0.00 -1.00 0.00 0.00 59.36 58.18 2ch0 h GLU 11 Cb 0.37 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 2ch0 h GLU 11 CO 0.00 0.14 -0.51 1.49 -1.00 0.00 0.00 179.01 179.14 2ch0 h GLU 12 N 0.07 0.75 -0.12 2.33 4.57 -1.43 -1.97 114.58 118.77 2ch0 h GLU 12 Ca 0.02 -0.45 -0.07 0.00 -1.18 0.00 0.00 59.36 57.68 2ch0 h GLU 12 Cb 0.16 0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 28.79 2ch0 h GLU 12 CO 0.01 1.07 -0.21 0.93 -1.18 0.00 0.00 179.01 179.63 2ch0 h GLU 13 N 0.58 0.36 0.02 1.92 4.39 -1.65 -3.41 114.58 116.79 2ch0 h GLU 13 Ca 0.02 -0.22 -0.00 0.00 0.34 0.00 0.00 59.36 59.50 2ch0 h GLU 13 Cb 1.08 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 2ch0 h GLU 13 CO 0.11 0.81 -0.01 1.79 -1.16 0.00 0.00 179.01 180.54 2ch0 h THR 14 N -0.06 1.23 0.00 1.13 1.35 -0.88 -3.44 112.91 112.25 2ch0 h THR 14 Ca 0.01 -1.81 -0.40 0.00 -0.55 0.00 0.00 66.41 63.66 2ch0 h THR 14 Cb 0.78 2.28 0.02 0.00 -1.73 0.00 0.00 68.15 69.51 2ch0 h THR 14 CO 0.05 0.40 2.37 0.54 -0.25 0.00 0.00 175.52 178.63 2ch0 n ARG 15 N -4.71 1.72 0.00 4.72 3.00 -0.74 -1.75 116.66 118.91 2ch0 n ARG 15 Ca -0.07 -1.44 0.00 0.00 -0.01 0.00 0.00 57.85 56.33 2ch0 n ARG 15 Cb 0.33 -2.51 0.00 0.00 0.00 0.00 0.00 32.46 30.28 2ch0 n ARG 15 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.63 178.57 2ch0 n GLN 16 N 4.94 0.00 -0.09 5.56 -0.06 -1.26 -4.99 117.38 121.48 2ch0 n GLN 16 Ca 0.41 0.00 0.05 0.00 -2.00 0.00 0.00 57.00 55.47 2ch0 n GLN 16 Cb 0.18 0.00 0.39 0.00 -4.06 0.00 0.00 30.24 26.75 2ch0 n GLN 16 CO 0.00 0.00 0.00 0.52 -0.20 0.00 0.00 177.06 177.38 2ch0 h MET 17 N 0.00 0.63 0.00 3.69 2.86 -1.62 -2.79 114.93 117.70 2ch0 h MET 17 Ca 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2ch0 h MET 17 Cb 0.00 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.52 2ch0 h MET 17 CO 0.00 0.42 0.00 1.88 1.06 0.00 0.00 176.91 180.27 2ch0 h TYR 18 N 0.65 0.00 0.01 -0.22 -1.99 -1.92 0.19 116.97 113.68 2ch0 h TYR 18 Ca 0.23 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.96 2ch0 h TYR 18 Cb 0.11 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.84 2ch0 h TYR 18 CO -0.00 0.00 -0.00 -0.44 -0.00 0.00 0.00 178.16 177.72 2ch0 h ASP 19 N 0.00 -0.01 0.55 3.88 3.32 -1.86 -2.06 116.42 120.24 2ch0 h ASP 19 Ca 0.00 -0.64 -0.14 0.00 0.02 0.00 0.00 57.03 56.28 2ch0 h ASP 19 Cb 0.17 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 2ch0 h ASP 19 CO 0.00 0.64 -0.62 0.00 -1.72 0.00 0.00 179.24 177.54 2ch0 h MET 20 N -0.65 0.07 -0.01 3.56 -0.00 -1.65 -3.19 114.93 113.05 2ch0 h MET 20 Ca -0.00 -0.05 -0.17 0.00 -0.00 0.00 0.00 59.70 59.48 2ch0 h MET 20 Cb 0.64 0.01 -0.02 0.00 -0.00 0.00 0.00 31.60 32.24 2ch0 h MET 20 CO 0.00 0.67 -0.75 -0.24 -0.00 0.00 0.00 176.91 176.59 2ch0 h VAL 21 N 0.05 1.48 -0.88 -0.10 3.04 -1.08 -3.35 116.25 115.42 2ch0 h VAL 21 Ca -0.01 -2.43 0.21 0.00 -1.01 0.00 0.00 66.70 63.46 2ch0 h VAL 21 Cb 1.11 2.32 -0.06 0.00 -2.01 0.00 0.00 31.29 32.65 2ch0 h VAL 21 CO 0.09 0.70 0.59 1.62 -1.01 0.00 0.00 177.57 179.56 2ch0 h VAL 22 N 0.08 0.66 -0.04 1.51 3.04 -1.35 0.34 116.25 120.48 2ch0 h VAL 22 Ca -0.02 -0.11 -0.17 0.00 -1.01 0.00 0.00 66.70 65.40 2ch0 h VAL 22 Cb 1.33 0.33 -0.01 0.00 -2.01 0.00 0.00 31.29 30.92 2ch0 h VAL 22 CO 0.11 0.06 -0.71 0.07 -1.01 0.00 0.00 177.57 176.08 2ch0 h LYS 23 N 0.31 0.22 0.01 4.17 2.10 -1.76 -2.89 116.57 118.73 2ch0 h LYS 23 Ca 0.45 -0.18 -0.20 0.00 -2.00 0.00 0.00 60.65 58.71 2ch0 h LYS 23 Cb 1.25 0.04 0.02 0.00 -0.90 0.00 0.00 32.23 32.64 2ch0 h LYS 23 CO -0.13 0.84 -0.81 0.82 -2.00 0.00 0.00 179.45 178.17 2ch0 h ILE 24 N 0.15 1.37 -0.01 0.07 2.04 -1.06 -0.49 117.51 119.58 2ch0 h ILE 24 Ca -0.02 -2.18 -0.06 0.00 1.00 0.00 0.00 64.86 63.60 2ch0 h ILE 24 Cb 1.27 2.56 -0.01 0.00 -0.74 0.00 0.00 36.82 39.90 2ch0 h ILE 24 CO 0.11 0.65 -0.26 0.16 0.00 0.00 0.00 178.15 178.81 2ch0 h ILE 25 N 0.08 1.19 -0.12 -0.67 3.07 -0.58 0.65 117.51 121.13 2ch0 h ILE 25 Ca -0.10 -0.91 -0.07 0.00 1.55 0.00 0.00 64.86 65.32 2ch0 h ILE 25 Cb 1.50 1.48 -0.00 0.00 -0.27 0.00 0.00 36.82 39.53 2ch0 h ILE 25 CO 0.16 0.26 -0.20 -0.78 -1.05 0.00 0.00 178.15 176.54 2ch0 h ASP 26 N 0.01 0.39 0.33 2.16 3.58 -1.55 -1.81 116.42 119.54 2ch0 h ASP 26 Ca -0.00 -0.54 -0.01 0.00 0.42 0.00 0.00 57.03 56.91 2ch0 h ASP 26 Cb 0.47 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.40 2ch0 h ASP 26 CO 0.03 0.85 -0.26 0.58 -2.88 0.00 0.00 179.24 177.56 2ch0 h VAL 27 N -0.07 0.46 -0.05 2.25 2.07 -0.60 -3.20 116.25 117.11 2ch0 h VAL 27 Ca 0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 2ch0 h VAL 27 Cb 0.77 0.46 -0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2ch0 h VAL 27 CO 0.05 0.00 -0.05 0.25 0.02 0.00 0.00 177.57 177.84 2ch0 h LEU 28 N -0.60 0.12 -1.22 2.57 6.46 0.17 -3.26 115.31 119.55 2ch0 h LEU 28 Ca -0.03 -0.48 -0.07 0.00 -0.12 0.00 0.00 57.88 57.18 2ch0 h LEU 28 Cb 0.52 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.40 2ch0 h LEU 28 CO -0.01 0.58 -0.33 0.03 -0.62 0.00 0.00 178.44 178.09 2ch0 h ARG 29 N -0.33 0.00 0.03 1.25 3.08 -1.48 -3.33 114.38 113.60 2ch0 h ARG 29 Ca 0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2ch0 h ARG 29 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.60 2ch0 h ARG 29 CO 0.01 0.33 -0.02 1.03 -1.07 0.00 0.00 179.97 180.26 2ch0 h SER 30 N 0.00 -0.04 -0.01 7.04 0.87 -1.64 0.10 113.55 119.86 2ch0 h SER 30 Ca -0.00 -0.64 -0.04 0.00 -1.23 0.00 0.00 61.79 59.88 2ch0 h SER 30 Cb 0.72 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.68 2ch0 h SER 30 CO 0.04 0.66 -0.08 1.12 -0.53 0.00 0.00 176.83 178.04 2ch0 h HIS 31 N -0.78 0.24 -0.23 2.24 2.07 -1.73 -0.68 115.15 116.28 2ch0 h HIS 31 Ca -0.00 -0.02 -0.17 0.00 -2.85 0.00 0.00 60.37 57.33 2ch0 h HIS 31 Cb 0.68 -0.07 -0.00 0.00 2.57 0.00 0.00 27.41 30.58 2ch0 h HIS 31 CO 0.16 0.32 -0.53 -0.97 -3.07 0.00 0.00 177.93 173.85 2ch0 h ASN 32 N 0.23 0.74 -0.29 3.10 -1.24 -1.67 -1.97 115.58 114.48 2ch0 h ASN 32 Ca 0.05 -0.39 -0.19 0.00 0.71 0.00 0.00 56.30 56.48 2ch0 h ASN 32 Cb 0.30 -0.21 0.00 0.00 0.73 0.00 0.00 38.32 39.14 2ch0 h ASN 32 CO 0.02 1.13 -0.55 -0.33 -1.29 0.00 0.00 177.43 176.40 2ch0 h GLU 33 N 0.52 0.88 0.00 6.67 4.39 -0.36 -3.09 114.58 123.59 2ch0 h GLU 33 Ca 0.02 -0.57 -0.04 0.00 0.34 0.00 0.00 59.36 59.11 2ch0 h GLU 33 Cb 1.09 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.81 2ch0 h GLU 33 CO 0.11 1.20 -0.21 0.00 -1.16 0.00 0.00 179.01 178.95 2ch0 h ALA 34 N 0.68 1.25 -0.63 3.43 0.00 -1.17 -3.17 119.26 119.64 2ch0 h ALA 34 Ca 0.01 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.78 2ch0 h ALA 34 Cb 1.16 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 2ch0 h ALA 34 CO 0.12 0.26 0.42 0.00 0.00 0.00 0.00 179.25 180.05 2ch0 n GLN 36 N -4.47 0.17 0.03 0.00 -0.00 -1.20 -2.53 117.38 109.38 2ch0 n GLN 36 Ca 0.08 0.29 0.10 0.00 -0.00 0.00 0.00 57.00 57.46 2ch0 n GLN 36 Cb 0.17 -1.76 -0.11 0.00 -0.00 0.00 0.00 30.24 28.55 2ch0 n GLN 36 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 2ch0 n GLU 37 N -2.06 0.64 -3.29 2.61 -0.00 -1.11 -4.80 120.64 112.63 2ch0 n GLU 37 Ca 0.04 -0.06 -0.18 0.00 -0.00 0.00 0.00 57.16 56.96 2ch0 n GLU 37 Cb 0.30 -1.64 -0.02 0.00 -0.00 0.00 0.00 31.44 30.08 2ch0 n GLU 37 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2ch0 n ASN 38 N -2.45 2.49 0.00 -1.84 3.02 -1.05 -5.12 115.26 110.31 2ch0 n ASN 38 Ca -0.04 -2.24 0.00 0.00 -0.03 0.00 0.00 54.58 52.26 2ch0 n ASN 38 Cb 0.60 0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.88 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 -0.98 0.00 -3.26 3.52 -0.00 -1.25 -4.85 118.16 111.33 2ch0 n LYS 39 Ca -0.08 0.22 -0.11 0.00 -0.00 0.00 0.00 58.31 58.34 2ch0 n LYS 39 Cb 0.38 -0.70 -0.05 0.00 -0.00 0.00 0.00 35.03 34.66 2ch0 n LYS 39 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2ch0 s ASP 40 N -3.31 0.17 0.61 -5.58 2.15 -1.26 -4.71 116.67 104.74 2ch0 s ASP 40 Ca 0.00 -1.49 0.30 0.00 0.43 0.00 0.00 52.55 51.79 2ch0 s ASP 40 Cb 0.00 1.02 1.68 0.00 -0.30 0.00 0.00 42.92 45.31 2ch0 s ASP 40 CO 0.00 -0.21 2.04 0.17 -0.17 0.00 0.00 175.17 177.01 2ch0 h LEU 41 N 6.73 0.00 -3.62 -1.34 -0.00 -1.88 -3.13 115.31 112.06 2ch0 h LEU 41 Ca 0.07 0.00 -0.45 0.00 -0.00 0.00 0.00 57.88 57.50 2ch0 h LEU 41 Cb 1.09 0.00 -0.23 0.00 -0.00 0.00 0.00 40.66 41.52 2ch0 h LEU 41 CO 0.16 0.00 0.58 0.00 -0.00 0.00 0.00 178.44 179.18 2ch0 n GLN 42 N -3.55 2.10 -0.46 0.17 10.64 -1.26 -5.03 117.38 119.99 2ch0 n GLN 42 Ca 0.02 -2.38 0.39 0.00 -1.83 0.00 0.00 57.00 53.21 2ch0 n GLN 42 Cb 0.39 -1.93 0.67 0.00 -0.86 0.00 0.00 30.24 28.50 2ch0 n GLN 42 CO 0.00 0.00 0.00 -2.30 -1.83 0.00 0.00 177.06 172.93 2ch0 n PRO 43 N -0.56 -0.04 -3.64 2.61 -0.02 -1.19 -3.66 135.00 128.51 2ch0 n PRO 43 Ca 0.46 1.26 -0.12 0.00 -2.02 0.00 0.00 63.50 63.08 2ch0 n PRO 43 Cb 1.04 -2.46 -0.07 0.00 -0.02 0.00 0.00 33.50 31.99 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 -5.26 -0.86 0.18 6.00 2.02 -1.26 -4.69 117.35 113.48 2ch0 s TYR 44 Ca -0.07 1.97 0.06 0.00 -0.37 0.00 0.00 57.07 58.65 2ch0 s TYR 44 Cb 0.31 0.37 -0.04 0.00 -0.40 0.00 0.00 41.96 42.20 2ch0 s TYR 44 CO 0.81 -0.42 0.12 -1.64 -1.57 0.00 0.00 175.55 172.85 2ch0 s MET 45 N 0.74 2.80 0.98 -0.62 -1.94 0.09 -4.94 119.30 116.42 2ch0 s MET 45 Ca -0.03 -0.94 -0.14 0.00 -1.71 0.00 0.00 55.69 52.87 2ch0 s MET 45 Cb -0.05 -2.58 0.18 0.00 2.01 0.00 0.00 34.83 34.39 2ch0 s MET 45 CO -0.05 0.47 1.15 -1.25 -0.01 0.00 0.00 175.02 175.33 2ch0 s PRO 46 N -3.15 0.54 0.08 2.03 0.04 -1.26 -0.85 135.00 132.43 2ch0 s PRO 46 Ca 0.30 0.14 -0.22 0.00 0.04 0.00 0.00 61.00 61.27 2ch0 s PRO 46 Cb -0.10 -1.78 -0.13 0.00 0.04 0.00 0.00 34.50 32.53 2ch0 s PRO 46 CO 0.23 -2.57 1.68 0.82 0.04 0.00 0.00 177.00 177.19 2ch0 h ILE 47 N -1.77 1.07 0.00 0.56 2.04 -1.94 -1.37 117.51 116.10 2ch0 h ILE 47 Ca -0.49 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.17 2ch0 h ILE 47 Cb 1.31 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 2ch0 h ILE 47 CO 0.53 0.06 0.39 -0.81 0.00 0.00 0.00 178.15 178.33 2ch0 n PRO 48 N -5.01 0.08 -0.06 2.37 -0.05 -1.26 -3.43 135.00 127.64 2ch0 n PRO 48 Ca -0.06 0.55 -0.08 0.00 -0.05 0.00 0.00 63.50 63.87 2ch0 n PRO 48 Cb 0.07 -2.14 -0.02 0.00 -0.05 0.00 0.00 33.50 31.36 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 -0.12 0.04 0.54 -0.00 -1.59 1.20 115.15 115.21 2ch0 h HIS 49 Ca 0.00 0.02 -0.26 0.00 -0.00 0.00 0.00 60.37 60.13 2ch0 h HIS 49 Cb 0.79 0.09 0.02 0.00 -0.00 0.00 0.00 27.41 28.31 2ch0 h HIS 49 CO 0.00 -0.10 -1.05 -0.39 -0.00 0.00 0.00 177.93 176.39 2ch0 h VAL 50 N 0.00 1.30 0.00 5.26 -1.51 -1.78 -3.33 116.25 116.20 2ch0 h VAL 50 Ca 0.12 -2.29 -0.03 0.00 -1.23 0.00 0.00 66.70 63.27 2ch0 h VAL 50 Cb 0.18 2.51 -0.00 0.00 -2.13 0.00 0.00 31.29 31.85 2ch0 h VAL 50 CO -0.25 0.70 -0.15 -0.09 -1.23 0.00 0.00 177.57 176.55 2ch0 h ARG 51 N 0.29 0.00 0.00 5.19 2.43 -1.55 -3.11 114.38 117.62 2ch0 h ARG 51 Ca -0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 2ch0 h ARG 51 Cb 1.72 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.27 2ch0 h ARG 51 CO 0.20 0.15 0.00 -0.25 -1.51 0.00 0.00 179.97 178.56 2ch0 n ASP 52 N -3.19 0.69 0.05 -3.80 8.00 0.41 -4.26 116.55 114.45 2ch0 n ASP 52 Ca 0.02 0.58 0.12 0.00 0.71 0.00 0.00 54.79 56.21 2ch0 n ASP 52 Cb 0.50 -0.76 0.07 0.00 -0.02 0.00 0.00 41.12 40.90 2ch0 n ASP 52 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2ch0 n SER 53 N -2.16 0.67 0.29 -2.24 7.64 -1.18 -4.33 113.62 112.32 2ch0 n SER 53 Ca 0.05 0.03 0.18 0.00 1.01 0.00 0.00 58.87 60.15 2ch0 n SER 53 Cb 0.39 0.53 0.84 0.00 -1.01 0.00 0.00 64.21 64.96 2ch0 n SER 53 CO 0.00 0.00 0.00 0.17 -3.01 0.00 0.00 175.04 172.20 2ch0 h LEU 54 N 0.00 0.00 -7.15 -3.43 -0.00 -1.77 -3.38 115.31 99.58 2ch0 h LEU 54 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.81 2ch0 h LEU 54 Cb 0.80 0.00 -0.23 0.00 -0.00 0.00 0.00 40.66 41.23 2ch0 h LEU 54 CO 0.00 0.02 -0.11 -0.63 -0.00 0.00 0.00 178.44 177.72 2ch0 s ILE 55 N -3.87 -0.01 -0.07 0.15 1.09 -1.26 -5.02 121.20 112.22 2ch0 s ILE 55 Ca -0.01 0.02 -0.07 0.00 -1.10 0.00 0.00 60.65 59.49 2ch0 s ILE 55 Cb 0.11 -0.77 -0.28 0.00 -1.06 0.00 0.00 42.46 40.45 2ch0 s ILE 55 CO 0.51 0.01 0.59 1.56 -0.10 0.00 0.00 174.94 177.51 2ch0 h GLN 56 N 6.13 0.31 0.00 2.79 7.50 -1.75 -3.38 115.11 126.71 2ch0 h GLN 56 Ca -0.31 -0.53 0.00 0.00 0.50 0.00 0.00 58.65 58.31 2ch0 h GLN 56 Cb 1.19 0.20 0.00 0.00 0.05 0.00 0.00 27.48 28.91 2ch0 h GLN 56 CO 0.20 1.21 0.00 -0.35 -1.50 0.00 0.00 178.83 178.39 2ch0 n PRO 57 N -3.50 0.00 0.14 1.46 -0.04 -1.26 -4.78 135.00 127.02 2ch0 n PRO 57 Ca -0.26 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.21 2ch0 n PRO 57 Cb 1.06 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 34.64 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 -0.20 0.54 3.86 -2.00 -3.24 115.15 114.11 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 0.58 0.00 -0.25 0.86 0.00 0.00 177.93 179.12 2ch0 n ASP 59 N -3.44 1.40 0.10 2.45 8.00 -1.26 -4.51 116.55 119.28 2ch0 n ASP 59 Ca 0.00 -1.82 -0.16 0.00 0.71 0.00 0.00 54.79 53.53 2ch0 n ASP 59 Cb 0.68 -0.13 -0.10 0.00 -0.02 0.00 0.00 41.12 41.55 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 1.68 -0.70 0.00 -1.24 -0.00 -1.73 -3.15 114.38 109.24 2ch0 h ARG 60 Ca 0.00 0.05 -0.00 0.00 -0.00 0.00 0.00 59.98 60.03 2ch0 h ARG 60 Cb 0.38 0.16 -0.00 0.00 -0.00 0.00 0.00 29.97 30.51 2ch0 h ARG 60 CO 0.00 -0.47 -0.00 -0.22 -0.00 0.00 0.00 179.97 179.28 2ch0 h LYS 61 N -0.73 0.00 -0.63 0.08 3.11 -1.86 -3.05 116.57 113.49 2ch0 h LYS 61 Ca 0.00 0.00 0.18 0.00 -2.81 0.00 0.00 60.65 58.03 2ch0 h LYS 61 Cb 0.75 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.95 2ch0 h LYS 61 CO -0.30 0.00 0.56 1.57 -2.81 0.00 0.00 179.45 178.47 2ch0 h LYS 62 N 0.00 0.00 -0.01 1.90 2.10 -1.88 -1.00 116.57 117.68 2ch0 h LYS 62 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2ch0 h LYS 62 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2ch0 h LYS 62 CO 0.00 0.00 -0.13 -1.33 -2.00 0.00 0.00 179.45 175.99 2ch0 n MET 63 N -3.92 1.43 0.02 0.07 2.81 -1.15 -4.40 117.12 111.98 2ch0 n MET 63 Ca 0.13 -0.85 -0.12 0.00 -1.81 0.00 0.00 57.70 55.05 2ch0 n MET 63 Cb 0.80 -1.15 0.01 0.00 -0.71 0.00 0.00 33.22 32.17 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 1.61 0.54 0.00 0.03 3.64 -1.28 -1.80 116.57 119.31 2ch0 h LYS 64 Ca 0.00 -0.42 -0.08 0.00 -1.27 0.00 0.00 60.65 58.88 2ch0 h LYS 64 Cb 0.41 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2ch0 h LYS 64 CO 0.00 1.04 -0.39 -0.22 -2.27 0.00 0.00 179.45 177.61 2ch0 h LYS 65 N 0.38 0.00 -0.01 1.90 3.64 -1.67 -2.93 116.57 117.88 2ch0 h LYS 65 Ca -0.03 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.18 2ch0 h LYS 65 Cb 1.29 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 2ch0 h LYS 65 CO 0.13 0.39 -0.77 0.28 -2.27 0.00 0.00 179.45 177.21 2ch0 h VAL 66 N 0.00 1.48 -1.00 2.00 2.07 -1.74 -3.33 116.25 115.74 2ch0 h VAL 66 Ca -0.00 -2.45 0.16 0.00 0.82 0.00 0.00 66.70 65.22 2ch0 h VAL 66 Cb 0.76 2.33 -0.09 0.00 -1.52 0.00 0.00 31.29 32.77 2ch0 h VAL 66 CO 0.05 0.71 0.62 -0.25 0.02 0.00 0.00 177.57 178.72 2ch0 h TRP 67 N 0.09 1.08 -0.92 1.57 2.91 -1.12 0.34 115.95 119.90 2ch0 h TRP 67 Ca -0.02 0.03 0.12 0.00 1.13 0.00 0.00 58.89 60.15 2ch0 h TRP 67 Cb 1.36 -0.33 -0.08 0.00 -0.51 0.00 0.00 29.16 29.59 2ch0 h TRP 67 CO 0.02 0.33 0.55 -0.44 -1.03 0.00 0.00 178.44 177.87 2ch0 h ASP 68 N 0.86 0.78 0.03 2.65 3.32 -1.67 0.25 116.42 122.64 2ch0 h ASP 68 Ca 0.54 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.64 2ch0 h ASP 68 Cb 0.72 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.17 2ch0 h ASP 68 CO -0.32 0.41 -0.02 -0.09 -1.72 0.00 0.00 179.24 177.51 2ch0 h ARG 69 N 0.87 -0.04 -0.77 3.56 9.65 -1.56 -3.39 114.38 122.68 2ch0 h ARG 69 Ca 0.46 0.00 0.20 0.00 -1.10 0.00 0.00 59.98 59.54 2ch0 h ARG 69 Cb 0.48 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.03 2ch0 h ARG 69 CO -0.28 0.61 0.54 0.00 2.80 0.00 0.00 179.97 183.64 2ch0 h ALA 70 N -0.20 2.45 -0.64 2.80 0.00 0.03 -0.95 119.26 122.76 2ch0 h ALA 70 Ca -0.00 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.00 2ch0 h ALA 70 Cb 0.68 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 2ch0 h ALA 70 CO 0.01 -0.68 0.43 0.28 0.00 0.00 0.00 179.25 179.29 2ch0 h VAL 71 N 0.18 0.90 -0.51 0.00 2.07 -0.70 -2.52 116.25 115.67 2ch0 h VAL 71 Ca 0.38 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.76 2ch0 h VAL 71 Cb 1.22 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.35 2ch0 h VAL 71 CO -0.07 0.09 0.31 -0.78 0.02 0.00 0.00 177.57 177.14 2ch0 h ASP 72 N 0.47 0.51 -0.05 0.57 3.58 -1.36 -0.54 116.42 119.60 2ch0 h ASP 72 Ca 0.30 -0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.64 2ch0 h ASP 72 Cb 0.54 -0.11 0.01 0.00 1.72 0.00 0.00 39.33 41.48 2ch0 h ASP 72 CO -0.09 0.36 -0.39 0.15 -2.88 0.00 0.00 179.24 176.39 2ch0 h PHE 73 N 0.62 0.49 -0.72 0.28 3.04 -1.70 -3.39 116.94 115.57 2ch0 h PHE 73 Ca 0.20 -0.23 0.10 0.00 3.98 0.00 0.00 57.97 62.02 2ch0 h PHE 73 Cb -0.00 -0.07 -0.07 0.00 2.56 0.00 0.00 35.95 38.36 2ch0 h PHE 73 CO -0.06 1.00 0.35 1.25 -2.02 0.00 0.00 178.31 178.83 2ch0 h LEU 74 N -0.16 0.46 -0.42 0.59 6.46 -1.31 -2.59 115.31 118.33 2ch0 h LEU 74 Ca -0.03 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 2ch0 h LEU 74 Cb 1.07 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.98 2ch0 h LEU 74 CO 0.08 0.26 0.00 0.00 -0.62 0.00 0.00 178.44 178.16 2ch0 n ALA 75 N -2.41 1.25 0.07 1.25 0.00 -0.23 -3.43 120.51 117.01 2ch0 n ALA 75 Ca 0.11 0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.61 2ch0 n ALA 75 Cb 0.28 -1.18 -0.05 0.00 0.00 0.00 0.00 19.45 18.51 2ch0 n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ch0 h ALA 76 N 2.15 0.65 -0.25 0.00 0.00 -1.64 -3.41 119.26 116.75 2ch0 h ALA 76 Ca 0.00 -0.70 -0.22 0.00 0.00 0.00 0.00 54.91 54.00 2ch0 h ALA 76 Cb 0.11 0.15 -0.39 0.00 0.00 0.00 0.00 17.79 17.66 2ch0 h ALA 76 CO 0.00 0.80 -1.07 -1.71 0.00 0.00 0.00 179.25 177.27 2ch0 n ASN 77 N -2.99 1.43 -3.53 0.00 5.15 -1.22 -5.09 115.26 109.01 2ch0 n ASN 77 Ca -0.06 -2.10 -0.12 0.00 -0.60 0.00 0.00 54.58 51.70 2ch0 n ASN 77 Cb 0.80 -0.40 -0.04 0.00 -0.53 0.00 0.00 39.78 39.61 2ch0 n ASN 77 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2ch0 s GLU 78 N -2.22 1.14 -0.47 1.20 2.12 -1.22 -5.10 118.70 114.14 2ch0 s GLU 78 Ca 0.31 -0.46 0.04 0.00 0.36 0.00 0.00 54.97 55.22 2ch0 s GLU 78 Cb 0.35 0.52 0.23 0.00 0.26 0.00 0.00 34.13 35.49 2ch0 s GLU 78 CO -0.09 -0.46 0.90 0.43 -0.54 0.00 0.00 175.26 175.50 2ch0 n SER 79 N -0.08 -2.79 0.00 -1.70 7.64 -1.26 -4.81 113.62 110.62 2ch0 n SER 79 Ca -0.17 -2.83 0.00 0.00 1.01 0.00 0.00 58.87 56.88 2ch0 n SER 79 Cb 0.63 1.60 0.00 0.00 -1.01 0.00 0.00 64.21 65.43 2ch0 n SER 79 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2ch0 n ARG 80 N 2.11 0.00 -2.09 1.43 3.00 -1.26 -5.08 116.66 114.77 2ch0 n ARG 80 Ca 0.11 0.00 -0.38 0.00 -0.01 0.00 0.00 57.85 57.57 2ch0 n ARG 80 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.08 2ch0 n ARG 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2ch0 s VAL 81 N 3.09 2.73 0.15 1.55 -7.23 -1.26 -5.03 120.40 114.39 2ch0 s VAL 81 Ca 0.00 0.57 0.04 0.00 -1.81 0.00 0.00 61.98 60.78 2ch0 s VAL 81 Cb 0.00 -3.30 -0.04 0.00 0.56 0.00 0.00 36.38 33.60 2ch0 s VAL 81 CO 0.00 0.02 0.18 0.00 -0.31 0.00 0.00 175.10 174.98 2ch0 s ARG 82 N -2.63 3.08 -0.23 4.82 1.70 -1.03 -4.88 118.95 119.78 2ch0 s ARG 82 Ca 0.64 -0.75 -0.09 0.00 -0.47 0.00 0.00 55.73 55.06 2ch0 s ARG 82 Cb -0.34 -2.77 -0.04 0.00 -0.57 0.00 0.00 34.95 31.23 2ch0 s ARG 82 CO 0.41 0.51 0.11 0.99 -1.08 0.00 0.00 175.30 176.25 2ch0 s THR 83 N -1.70 4.89 0.04 4.99 2.01 -1.26 -1.58 115.64 123.03 2ch0 s THR 83 Ca 0.32 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.34 2ch0 s THR 83 Cb -0.11 -3.27 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 2ch0 s THR 83 CO 0.25 0.36 -0.04 -0.70 -0.69 0.00 0.00 174.62 173.80 2ch0 s GLU 84 N 1.13 0.46 -0.43 4.92 2.12 -0.68 -4.93 118.70 121.30 2ch0 s GLU 84 Ca 0.06 -0.82 -0.23 0.00 0.36 0.00 0.00 54.97 54.33 2ch0 s GLU 84 Cb -0.14 0.01 0.02 0.00 0.26 0.00 0.00 34.13 34.28 2ch0 s GLU 84 CO 0.04 -0.03 0.80 0.95 -0.54 0.00 0.00 175.26 176.48 2ch0 s THR 85 N -2.08 4.65 0.03 -1.70 -4.23 -1.26 -0.99 115.64 110.06 2ch0 s THR 85 Ca -0.08 0.60 0.04 0.00 -1.18 0.00 0.00 61.69 61.07 2ch0 s THR 85 Cb -0.05 -4.30 -0.02 0.00 1.34 0.00 0.00 72.50 69.46 2ch0 s THR 85 CO -0.03 -0.65 -0.12 -0.60 -0.54 0.00 0.00 174.62 172.68 2ch0 s ARG 86 N 3.30 0.84 -0.29 3.99 6.06 -0.98 -4.94 118.95 126.93 2ch0 s ARG 86 Ca 0.31 -0.66 -0.21 0.00 -2.50 0.00 0.00 55.73 52.68 2ch0 s ARG 86 Cb -0.12 -0.81 -0.01 0.00 0.06 0.00 0.00 34.95 34.07 2ch0 s ARG 86 CO 0.22 0.20 0.65 0.50 -2.50 0.00 0.00 175.30 174.36 2ch0 s ARG 87 N -0.98 3.95 -0.07 5.12 3.52 -1.26 -2.35 118.95 126.88 2ch0 s ARG 87 Ca 0.01 0.38 -0.01 0.00 -0.13 0.00 0.00 55.73 55.98 2ch0 s ARG 87 Cb -0.07 -3.71 0.03 0.00 -1.56 0.00 0.00 34.95 29.63 2ch0 s ARG 87 CO 0.01 -0.55 -0.01 0.96 -0.81 0.00 0.00 175.30 174.90 2ch0 s ILE 88 N 2.62 0.43 -1.47 4.11 -0.00 0.95 -4.78 121.20 123.06 2ch0 s ILE 88 Ca 0.26 0.06 0.00 0.00 -0.00 0.00 0.00 60.65 60.97 2ch0 s ILE 88 Cb -0.15 -0.56 0.00 0.00 -0.00 0.00 0.00 42.46 41.75 2ch0 s ILE 88 CO 0.11 0.26 0.00 0.61 -0.00 0.00 0.00 174.94 175.92 2ch0 n GLY 89 N 4.95 1.06 1.39 6.27 0.00 -1.26 -1.85 105.19 115.75 2ch0 n GLY 89 Ca -0.10 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.15 0.66 3.14 -0.02 0.00 -1.26 -5.08 105.19 101.48 2ch0 n GLY 90 Ca -0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.01 1.39 -0.44 4.61 0.00 -0.77 -5.08 121.76 119.46 2ch0 s ALA 91 Ca 0.00 -0.69 -0.19 0.00 0.00 0.00 0.00 51.96 51.08 2ch0 s ALA 91 Cb 0.00 -0.39 0.03 0.00 0.00 0.00 0.00 23.12 22.76 2ch0 s ALA 91 CO 0.00 0.31 0.54 0.34 0.00 0.00 0.00 175.76 176.96 2ch0 s ASP 92 N -0.25 6.25 0.39 0.00 2.15 -1.26 -0.04 116.67 123.91 2ch0 s ASP 92 Ca 0.03 -0.61 0.08 0.00 0.43 0.00 0.00 52.55 52.48 2ch0 s ASP 92 Cb -0.08 -2.27 -0.07 0.00 -0.30 0.00 0.00 42.92 40.20 2ch0 s ASP 92 CO 0.00 -0.71 -0.02 -0.36 -0.17 0.00 0.00 175.17 173.91 2ch0 s PHE 93 N 2.46 2.49 -0.43 -5.34 0.08 -0.99 -4.89 117.98 111.37 2ch0 s PHE 93 Ca 0.16 -0.61 -0.20 0.00 0.12 0.00 0.00 56.93 56.41 2ch0 s PHE 93 Cb -0.16 -1.65 0.02 0.00 -0.57 0.00 0.00 43.02 40.65 2ch0 s PHE 93 CO 0.15 0.48 0.57 -0.51 -0.10 0.00 0.00 175.22 175.82 2ch0 s LEU 94 N -3.69 4.59 0.18 -0.37 1.02 -1.26 -2.32 118.68 116.84 2ch0 s LEU 94 Ca 0.34 -0.41 0.10 0.00 0.02 0.00 0.00 54.13 54.18 2ch0 s LEU 94 Cb 0.07 -2.62 -0.04 0.00 0.02 0.00 0.00 46.19 43.62 2ch0 s LEU 94 CO 0.18 -0.70 -0.14 0.68 0.02 0.00 0.00 176.35 176.39 2ch0 s VAL 95 N 2.59 2.92 -0.18 -1.59 -7.23 -0.16 -4.34 120.40 112.41 2ch0 s VAL 95 Ca 0.19 -1.77 -0.08 0.00 -1.81 0.00 0.00 61.98 58.51 2ch0 s VAL 95 Cb -0.15 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 2ch0 s VAL 95 CO 0.17 -0.11 0.11 0.26 -0.31 0.00 0.00 175.10 175.22 2ch0 s TRP 96 N -1.68 3.39 0.22 2.82 0.51 -0.03 -1.68 118.94 122.48 2ch0 s TRP 96 Ca 0.23 0.28 -0.09 0.00 -2.12 0.00 0.00 56.10 54.40 2ch0 s TRP 96 Cb -0.09 -2.08 -0.01 0.00 -0.81 0.00 0.00 33.47 30.48 2ch0 s TRP 96 CO 0.13 0.33 0.36 -0.98 -0.51 0.00 0.00 176.95 176.29 2ch0 s ARG 97 N 0.08 1.38 0.05 4.98 1.70 -0.62 -0.73 118.95 125.79 2ch0 s ARG 97 Ca 0.08 -1.31 0.09 0.00 -0.47 0.00 0.00 55.73 54.12 2ch0 s ARG 97 Cb -0.12 0.41 -0.03 0.00 -0.57 0.00 0.00 34.95 34.64 2ch0 s ARG 97 CO -0.00 -0.54 -0.25 -0.46 -1.08 0.00 0.00 175.30 172.97 2ch0 s TRP 98 N -4.03 2.21 -0.18 5.89 -0.00 -1.26 -2.47 118.94 119.09 2ch0 s TRP 98 Ca 0.24 -0.40 0.01 0.00 -0.00 0.00 0.00 56.10 55.95 2ch0 s TRP 98 Cb 0.02 -1.31 0.02 0.00 -0.00 0.00 0.00 33.47 32.19 2ch0 s TRP 98 CO 0.07 0.14 -0.19 0.96 -0.00 0.00 0.00 176.95 177.93 2ch0 s ILE 99 N -0.83 2.13 -0.27 5.86 -4.36 -1.26 -4.79 121.20 117.68 2ch0 s ILE 99 Ca 0.11 -0.92 -0.10 0.00 -0.26 0.00 0.00 60.65 59.48 2ch0 s ILE 99 Cb -0.10 -1.90 -0.05 0.00 1.25 0.00 0.00 42.46 41.67 2ch0 s ILE 99 CO 0.02 0.53 0.17 -1.10 0.24 0.00 0.00 174.94 174.80 2ch0 s GLN 100 N 1.28 3.90 0.62 0.37 1.11 -1.26 -5.02 119.66 120.66 2ch0 s GLN 100 Ca 0.04 -0.35 -0.18 0.00 0.01 0.00 0.00 55.36 54.88 2ch0 s GLN 100 Cb -0.13 -3.59 -0.02 0.00 -1.01 0.00 0.00 33.01 28.25 2ch0 s GLN 100 CO -0.12 -0.17 1.25 -2.14 0.01 0.00 0.00 175.29 174.13 2ch0 s PRO 101 N 1.70 2.74 0.00 2.91 0.02 -1.26 -3.01 135.00 138.09 2ch0 s PRO 101 Ca 0.07 1.95 0.00 0.00 0.02 0.00 0.00 61.00 63.04 2ch0 s PRO 101 Cb -0.16 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.48 2ch0 s PRO 101 CO 0.09 -1.42 0.00 -1.13 -0.33 0.00 0.00 177.00 174.21 2ch0 n SER 102 N -1.77 0.00 0.17 2.53 3.41 -1.26 -4.65 113.62 112.05 2ch0 n SER 102 Ca 0.15 0.00 -0.07 0.00 -0.26 0.00 0.00 58.87 58.68 2ch0 n SER 102 Cb 0.49 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.40 2ch0 n SER 102 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ch0 h ALA 103 N 0.00 -0.66 -0.22 7.33 0.00 -1.87 -3.18 119.26 120.66 2ch0 h ALA 103 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2ch0 h ALA 103 Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2ch0 h ALA 103 CO 0.00 -0.62 0.00 0.43 0.00 0.00 0.00 179.25 179.06 2ch0 n SER 104 N -4.16 1.33 -0.95 0.00 7.64 -1.16 -3.38 113.62 112.95 2ch0 n SER 104 Ca -0.06 -1.89 0.01 0.00 1.01 0.00 0.00 58.87 57.94 2ch0 n SER 104 Cb 0.19 -0.14 0.21 0.00 -1.01 0.00 0.00 64.21 63.45 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 -2.51 3.94 0.00 0.00 2.15 -1.20 -4.59 116.67 114.45 2ch0 s ASP 106 Ca 0.42 -0.45 0.00 0.00 0.43 0.00 0.00 52.55 52.95 2ch0 s ASP 106 Cb 0.38 -1.65 0.00 0.00 -0.30 0.00 0.00 42.92 41.35 2ch0 s ASP 106 CO 0.01 0.02 0.00 1.17 -0.17 0.00 0.00 175.17 176.20 2ch0 n LYS 107 N 4.54 -0.02 -2.93 4.34 3.00 -1.26 -5.04 118.16 120.79 2ch0 n LYS 107 Ca -0.19 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 57.88 2ch0 n LYS 107 Cb 0.51 -2.77 0.01 0.00 0.00 0.00 0.00 35.03 32.78 2ch0 n LYS 107 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.40 175.90 2ch0 s ILE 108 N -3.04 4.21 -0.17 3.15 1.10 -1.26 -5.06 121.20 120.13 2ch0 s ILE 108 Ca 0.00 -0.35 -0.21 0.00 -0.51 0.00 0.00 60.65 59.58 2ch0 s ILE 108 Cb 0.00 -3.57 -0.18 0.00 0.15 0.00 0.00 42.46 38.86 2ch0 s ILE 108 CO 0.00 -0.44 0.35 0.25 -2.11 0.00 0.00 174.94 172.99 2ch0 h LEU 109 N 0.35 0.00 0.00 8.50 5.85 -1.96 -3.49 115.31 124.56 2ch0 h LEU 109 Ca -0.47 -0.58 0.00 0.00 0.84 0.00 0.00 57.88 57.67 2ch0 h LEU 109 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 2ch0 h LEU 109 CO 0.59 1.16 0.00 0.52 -0.34 0.00 0.00 178.44 180.36 2ch0 n VAL 110 N -4.54 0.00 -3.64 1.05 0.31 -1.26 -4.60 118.33 105.64 2ch0 n VAL 110 Ca -0.19 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.06 2ch0 n VAL 110 Cb 0.51 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.37 2ch0 n VAL 110 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 2ch0 s ILE 111 N 0.00 0.00 -2.06 2.52 2.07 -1.26 -5.08 121.20 117.39 2ch0 s ILE 111 Ca 0.00 0.00 0.30 0.00 -1.41 0.00 0.00 60.65 59.54 2ch0 s ILE 111 Cb 0.00 -1.00 0.69 0.00 0.13 0.00 0.00 42.46 42.28 2ch0 s ILE 111 CO 0.00 0.00 1.99 -0.81 -1.91 0.00 0.00 174.94 174.21 2ch0 n PRO 112 N 2.91 1.12 -1.90 3.50 -0.04 -1.26 -4.47 135.00 134.86 2ch0 n PRO 112 Ca -0.15 -0.35 -0.40 0.00 -0.04 0.00 0.00 63.50 62.56 2ch0 n PRO 112 Cb 0.57 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.52 2ch0 n PRO 112 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2ch0 n SER 113 N -0.64 7.26 -4.12 3.54 7.64 -1.26 -4.88 113.62 121.16 2ch0 n SER 113 Ca 0.20 -2.99 -0.37 0.00 1.01 0.00 0.00 58.87 56.72 2ch0 n SER 113 Cb 0.23 -1.45 -0.10 0.00 -1.01 0.00 0.00 64.21 61.87 2ch0 n SER 113 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2ch0 s LYS 114 N 0.22 2.34 -1.15 1.43 1.02 -1.26 -5.05 119.74 117.28 2ch0 s LYS 114 Ca 0.54 -2.14 -0.22 0.00 0.02 0.00 0.00 55.97 54.17 2ch0 s LYS 114 Cb 0.16 -3.71 -0.03 0.00 -0.52 0.00 0.00 37.83 33.73 2ch0 s LYS 114 CO -0.07 -1.14 1.85 0.14 -0.92 0.00 0.00 175.35 175.22 2ch0 s VAL 115 N 0.62 3.70 -1.36 3.17 -7.23 -1.26 -4.74 120.40 113.29 2ch0 s VAL 115 Ca 0.12 -1.06 0.25 0.00 -1.81 0.00 0.00 61.98 59.49 2ch0 s VAL 115 Cb -0.22 -4.67 0.12 0.00 0.56 0.00 0.00 36.38 32.17 2ch0 s VAL 115 CO -0.04 -1.31 1.46 -2.67 -0.31 0.00 0.00 175.10 172.23 2ch0 n TRP 116 N 12.44 0.00 -1.67 2.82 4.27 -1.26 -5.02 117.44 129.02 2ch0 n TRP 116 Ca 0.44 0.00 -0.48 0.00 -3.89 0.00 0.00 57.50 53.57 2ch0 n TRP 116 Cb 0.47 -0.18 -0.05 0.00 -1.36 0.00 0.00 31.31 30.20 2ch0 n TRP 116 CO 0.00 0.00 0.00 1.04 -2.29 0.00 0.00 177.69 176.44 2ch0 n GLN 117 N -1.08 2.05 0.00 -2.67 6.02 -1.26 -3.88 117.38 116.55 2ch0 n GLN 117 Ca 0.09 0.74 0.00 0.00 -0.01 0.00 0.00 57.00 57.82 2ch0 n GLN 117 Cb 0.34 -2.53 0.00 0.00 1.02 0.00 0.00 30.24 29.08 2ch0 n GLN 117 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ch0 n GLY 118 N 3.71 3.61 3.05 1.08 0.00 -1.26 -5.08 105.19 110.30 2ch0 n GLY 118 Ca 0.19 -0.92 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 2ch0 n GLY 118 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ch0 s GLN 119 N 0.00 2.31 -0.90 1.61 -0.21 -1.25 -4.88 119.66 116.33 2ch0 s GLN 119 Ca 0.00 -1.02 0.01 0.00 0.02 0.00 0.00 55.36 54.36 2ch0 s GLN 119 Cb 0.00 -2.62 0.33 0.00 1.00 0.00 0.00 33.01 31.71 2ch0 s GLN 119 CO 0.00 -0.43 1.58 0.00 -2.12 0.00 0.00 175.29 174.31 2ch0 n ALA 120 N 4.58 5.69 -0.74 6.09 0.00 -1.26 -5.05 120.51 129.81 2ch0 n ALA 120 Ca -0.16 -4.63 0.00 0.00 0.00 0.00 0.00 53.44 48.65 2ch0 n ALA 120 Cb 0.46 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.14 2ch0 n ALA 120 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2ch0 n PHE 121 N -0.12 0.00 -2.66 0.00 3.72 -1.26 -3.43 117.46 113.71 2ch0 n PHE 121 Ca 0.42 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.82 2ch0 n PHE 121 Cb 0.30 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.90 2ch0 n PHE 121 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 2ch0 n HIS 122 N 0.00 -0.18 0.00 1.38 1.44 -1.26 -5.04 115.22 111.56 2ch0 n HIS 122 Ca 0.00 -1.65 0.00 0.00 -2.01 0.00 0.00 57.72 54.06 2ch0 n HIS 122 Cb 0.00 0.48 0.00 0.00 0.12 0.00 0.00 29.99 30.59 2ch0 n HIS 122 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 2ch0 n LEU 123 N -0.76 0.00 -4.27 2.39 7.94 -1.22 -5.08 117.00 116.00 2ch0 n LEU 123 Ca -0.05 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.51 2ch0 n LEU 123 Cb 0.86 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 44.66 2ch0 n LEU 123 CO -0.04 0.00 -0.46 -1.81 -1.11 0.00 0.00 177.39 173.96 2ch0 s ASP 124 N 0.52 3.75 0.19 1.96 1.01 -1.26 -4.76 116.67 118.08 2ch0 s ASP 124 Ca 0.00 -0.46 -0.06 0.00 0.71 0.00 0.00 52.55 52.74 2ch0 s ASP 124 Cb 0.00 -1.59 -0.02 0.00 1.01 0.00 0.00 42.92 42.32 2ch0 s ASP 124 CO 0.00 0.07 0.25 -0.13 0.21 0.00 0.00 175.17 175.57 2ch0 s ARG 125 N 0.90 1.24 3.68 8.23 0.52 -1.26 -4.69 118.95 127.57 2ch0 s ARG 125 Ca -0.03 -1.39 0.00 0.00 -0.52 0.00 0.00 55.73 53.79 2ch0 s ARG 125 Cb -0.15 0.34 0.00 0.00 0.52 0.00 0.00 34.95 35.66 2ch0 s ARG 125 CO -0.01 -0.44 0.00 0.54 0.02 0.00 0.00 175.30 175.41 2ch0 n ARG 126 N -0.26 0.00 -3.24 3.54 1.74 -1.26 -3.85 116.66 113.32 2ch0 n ARG 126 Ca -0.02 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.85 2ch0 n ARG 126 Cb 0.64 0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 32.01 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 0.00 0.47 0.00 0.55 1.98 -1.26 -5.00 118.68 115.42 2ch0 s LEU 127 Ca 0.00 -2.47 0.00 0.00 -2.89 0.00 0.00 54.13 48.77 2ch0 s LEU 127 Cb 0.00 0.28 0.00 0.00 0.66 0.00 0.00 46.19 47.13 2ch0 s LEU 127 CO 0.00 -0.16 0.00 -0.62 -1.89 0.00 0.00 176.35 173.68 2ch0 n GLU 128 N 3.16 0.00 -3.66 1.98 1.02 -1.26 -4.80 120.64 117.08 2ch0 n GLU 128 Ca 0.23 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 57.01 2ch0 n GLU 128 Cb 0.49 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.84 2ch0 n GLU 128 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2ch0 s ARG 129 N 0.00 4.09 0.00 3.49 3.52 -1.26 -4.66 118.95 124.12 2ch0 s ARG 129 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.56 2ch0 s ARG 129 Cb 0.00 -3.38 0.00 0.00 -1.56 0.00 0.00 34.95 30.01 2ch0 s ARG 129 CO 0.00 0.37 0.05 -0.35 -0.81 0.00 0.00 175.30 174.56 2ch0 n PRO 130 N 3.21 0.00 -3.83 5.12 -0.04 -1.25 -4.68 135.00 133.52 2ch0 n PRO 130 Ca -0.15 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.21 2ch0 n PRO 130 Cb 0.52 -0.36 -0.08 0.00 -0.04 0.00 0.00 33.50 33.55 2ch0 n PRO 130 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2ch0 s HIS 131 N -0.09 0.05 0.11 0.54 3.76 -1.26 -4.89 115.29 113.51 2ch0 s HIS 131 Ca 0.00 -0.30 -0.25 0.00 -0.15 0.00 0.00 55.06 54.36 2ch0 s HIS 131 Cb 0.00 -0.01 0.07 0.00 1.11 0.00 0.00 32.58 33.75 2ch0 s HIS 131 CO 0.00 -0.47 0.64 0.50 -0.85 0.00 0.00 174.74 174.56 2ch0 s ARG 132 N -2.84 1.21 0.00 1.40 3.52 -1.26 -5.20 118.95 115.78 2ch0 s ARG 132 Ca -0.03 -0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.23 2ch0 s ARG 132 Cb 0.00 0.56 0.00 0.00 -1.56 0.00 0.00 34.95 33.95 2ch0 s ARG 132 CO -0.05 -0.51 0.00 -0.40 -0.81 0.00 0.00 175.30 173.53