#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lo3 s ASN 0 N 0.00 5.23 -1.27 6.43 4.22 -1.26 -5.03 114.94 123.25 3lo3 s ASN 0 Ca 0.00 -0.63 -0.10 0.00 -2.14 0.00 0.00 52.86 49.99 3lo3 s ASN 0 Cb 0.00 -0.67 0.17 0.00 1.28 0.00 0.00 41.25 42.02 3lo3 s ASN 0 CO 0.00 -0.62 1.82 0.00 -2.04 0.00 0.00 177.10 176.27 3lo3 n ALA 1 N -1.58 5.17 -1.42 3.54 0.00 -1.26 -5.00 120.51 119.97 3lo3 n ALA 1 Ca 0.03 -4.30 -0.50 0.00 0.00 0.00 0.00 53.44 48.67 3lo3 n ALA 1 Cb 0.61 -3.00 -0.04 0.00 0.00 0.00 0.00 19.45 17.02 3lo3 n ALA 1 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3lo3 n THR 2 N 3.52 1.61 -4.40 0.00 -1.04 -1.26 -4.13 114.28 108.59 3lo3 n THR 2 Ca 0.40 -0.40 -0.27 0.00 -2.04 0.00 0.00 64.05 61.73 3lo3 n THR 2 Cb 0.37 -0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.76 3lo3 n THR 2 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3lo3 s ALA 3 N -0.81 2.40 0.12 2.41 0.00 -0.19 -4.85 121.76 120.83 3lo3 s ALA 3 Ca 0.69 -1.55 0.05 0.00 0.00 0.00 0.00 51.96 51.15 3lo3 s ALA 3 Cb -0.99 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 21.76 3lo3 s ALA 3 CO 0.56 0.44 -0.13 0.71 0.00 0.00 0.00 175.76 177.34 3lo3 s TYR 4 N -1.49 1.34 -0.17 0.00 2.02 -0.24 -0.57 117.35 118.24 3lo3 s TYR 4 Ca 0.17 -0.58 0.01 0.00 -0.37 0.00 0.00 57.07 56.30 3lo3 s TYR 4 Cb -0.08 -0.70 0.03 0.00 -0.40 0.00 0.00 41.96 40.80 3lo3 s TYR 4 CO 0.08 0.12 -0.14 0.42 -1.57 0.00 0.00 175.55 174.46 3lo3 s ILE 5 N -2.21 1.68 -0.11 2.71 1.01 0.73 -0.94 121.20 124.07 3lo3 s ILE 5 Ca 0.08 -0.81 -0.13 0.00 0.00 0.00 0.00 60.65 59.79 3lo3 s ILE 5 Cb -0.04 -1.62 -0.05 0.00 0.01 0.00 0.00 42.46 40.76 3lo3 s ILE 5 CO 0.02 0.38 0.31 -0.63 0.00 0.00 0.00 174.94 175.02 3lo3 s ILE 6 N 1.42 5.26 -0.12 2.92 1.01 0.13 -1.11 121.20 130.72 3lo3 s ILE 6 Ca 0.03 0.59 0.02 0.00 0.00 0.00 0.00 60.65 61.29 3lo3 s ILE 6 Cb -0.14 -3.63 -0.00 0.00 0.01 0.00 0.00 42.46 38.70 3lo3 s ILE 6 CO -0.10 0.46 -0.19 -0.69 0.00 0.00 0.00 174.94 174.42 3lo3 s VAL 7 N -0.10 2.46 -0.12 2.92 1.01 -0.09 -0.57 120.40 125.92 3lo3 s VAL 7 Ca 0.19 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.31 3lo3 s VAL 7 Cb -0.14 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 3lo3 s VAL 7 CO 0.06 0.54 -0.16 -0.83 0.00 0.00 0.00 175.10 174.71 3lo3 s GLY 8 N 0.44 1.48 0.02 4.51 0.00 -0.34 -1.66 107.32 111.77 3lo3 s GLY 8 Ca -0.14 -0.92 -0.02 0.00 0.00 0.00 0.00 44.72 43.65 3lo3 s GLY 8 CO 0.06 -0.27 0.01 0.48 0.00 0.00 0.00 173.10 173.38 3lo3 s LEU 9 N 0.28 2.10 -0.11 0.66 0.05 0.08 -0.55 118.68 121.19 3lo3 s LEU 9 Ca -0.12 -0.48 -0.01 0.00 0.05 0.00 0.00 54.13 53.57 3lo3 s LEU 9 Cb -0.16 0.25 0.03 0.00 -2.05 0.00 0.00 46.19 44.26 3lo3 s LEU 9 CO 0.06 -0.35 -0.02 0.42 -0.55 0.00 0.00 176.35 175.92 3lo3 s THR 10 N -1.69 0.62 0.23 5.48 -4.23 0.12 -1.31 115.64 114.86 3lo3 s THR 10 Ca -0.13 -0.15 -0.32 0.00 -1.18 0.00 0.00 61.69 59.91 3lo3 s THR 10 Cb -0.08 -0.80 -0.13 0.00 1.34 0.00 0.00 72.50 72.83 3lo3 s THR 10 CO -0.01 0.20 1.53 -2.65 -0.54 0.00 0.00 174.62 173.14 3lo3 n PRO 11 N 5.06 2.30 0.00 3.99 -0.02 -1.26 -1.01 135.00 144.06 3lo3 n PRO 11 Ca -0.09 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3lo3 n PRO 11 Cb 0.49 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 3lo3 n PRO 11 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3lo3 n LYS 12 N 2.63 0.00 -3.39 -0.52 5.02 0.13 -4.86 118.16 117.17 3lo3 n LYS 12 Ca 0.13 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 56.03 3lo3 n LYS 12 Cb 0.32 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.24 3lo3 n LYS 12 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3lo3 s ASP 13 N 0.10 6.25 0.40 4.39 2.15 -1.10 -4.98 116.67 123.88 3lo3 s ASP 13 Ca 0.00 0.29 0.15 0.00 0.43 0.00 0.00 52.55 53.42 3lo3 s ASP 13 Cb 0.00 -2.21 0.83 0.00 -0.30 0.00 0.00 42.92 41.24 3lo3 s ASP 13 CO 0.00 -0.18 1.87 0.00 -0.17 0.00 0.00 175.17 176.69 3lo3 h ALA 14 N 8.16 1.40 -0.08 3.66 0.00 -1.93 -1.09 119.26 129.38 3lo3 h ALA 14 Ca -0.32 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 3lo3 h ALA 14 Cb 1.16 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3lo3 h ALA 14 CO 0.64 0.40 -0.09 0.93 0.00 0.00 0.00 179.25 181.13 3lo3 h GLU 15 N 0.00 0.21 -0.09 0.00 5.08 -1.96 -1.03 114.58 116.78 3lo3 h GLU 15 Ca -0.00 -0.11 -0.16 0.00 -1.00 0.00 0.00 59.36 58.08 3lo3 h GLU 15 Cb 0.59 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 3lo3 h GLU 15 CO 0.04 0.65 -0.65 0.87 -1.00 0.00 0.00 179.01 178.92 3lo3 h LYS 16 N -0.23 0.35 -0.76 2.33 6.56 -1.88 -2.56 116.57 120.39 3lo3 h LYS 16 Ca 0.01 -0.26 -0.01 0.00 -1.06 0.00 0.00 60.65 59.33 3lo3 h LYS 16 Cb 0.62 0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 32.28 3lo3 h LYS 16 CO 0.02 0.88 0.42 1.25 -2.06 0.00 0.00 179.45 179.96 3lo3 h LEU 17 N 0.25 0.94 -0.61 2.94 7.12 -1.21 -0.49 115.31 124.25 3lo3 h LEU 17 Ca -0.01 -0.09 -0.15 0.00 0.13 0.00 0.00 57.88 57.75 3lo3 h LEU 17 Cb 1.18 -0.24 -0.01 0.00 -0.53 0.00 0.00 40.66 41.07 3lo3 h LEU 17 CO 0.11 0.76 -0.56 -0.61 -0.13 0.00 0.00 178.44 178.01 3lo3 h GLN 18 N 1.04 0.40 0.02 1.25 -0.00 -1.04 -2.29 115.11 114.49 3lo3 h GLN 18 Ca 0.27 -0.25 -0.21 0.00 -0.00 0.00 0.00 58.65 58.46 3lo3 h GLN 18 Cb 0.03 0.03 -0.02 0.00 0.00 0.00 0.00 27.48 27.52 3lo3 h GLN 18 CO -0.04 0.85 -0.96 0.37 0.00 0.00 0.00 178.83 179.05 3lo3 h GLN 19 N 0.30 0.09 0.31 1.69 4.15 -1.33 -1.63 115.11 118.70 3lo3 h GLN 19 Ca 0.00 -0.13 -0.00 0.00 0.77 0.00 0.00 58.65 59.29 3lo3 h GLN 19 Cb 1.07 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.79 3lo3 h GLN 19 CO 0.10 0.98 -0.26 -0.92 -1.93 0.00 0.00 178.83 176.79 3lo3 h TYR 20 N 0.04 -0.69 -0.43 3.99 3.20 -1.05 -3.19 116.97 118.84 3lo3 h TYR 20 Ca -0.04 0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.89 3lo3 h TYR 20 Cb 1.65 0.26 -0.05 0.00 1.54 0.00 0.00 36.73 40.13 3lo3 h TYR 20 CO 0.02 -0.39 0.15 0.78 -1.64 0.00 0.00 178.16 177.08 3lo3 h GLY 21 N -0.58 0.56 -0.26 1.82 0.00 -1.29 -2.19 103.07 101.12 3lo3 h GLY 21 Ca -0.02 -0.08 0.26 0.00 0.00 0.00 0.00 47.33 47.48 3lo3 h GLY 21 CO -0.02 0.02 0.51 0.00 0.00 0.00 0.00 176.54 177.05 3lo3 h ALA 22 N 1.28 1.70 0.00 3.60 0.00 -1.32 -2.66 119.26 121.86 3lo3 h ALA 22 Ca 0.20 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3lo3 h ALA 22 Cb 0.20 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3lo3 h ALA 22 CO -0.21 -0.37 -0.70 0.54 0.00 0.00 0.00 179.25 178.51 3lo3 n ARG 23 N -4.99 0.04 0.03 0.00 1.74 -0.84 -4.53 116.66 108.12 3lo3 n ARG 23 Ca 0.26 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.22 3lo3 n ARG 23 Cb 0.77 -1.52 -0.09 0.00 -1.02 0.00 0.00 32.46 30.60 3lo3 n ARG 23 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3lo3 h VAL 24 N 0.00 1.19 -1.07 1.55 2.07 -1.29 -3.27 116.25 115.43 3lo3 h VAL 24 Ca 0.00 -0.95 0.30 0.00 0.82 0.00 0.00 66.70 66.87 3lo3 h VAL 24 Cb 0.54 1.80 -0.12 0.00 -1.52 0.00 0.00 31.29 31.99 3lo3 h VAL 24 CO 0.00 0.23 0.66 0.00 0.02 0.00 0.00 177.57 178.49 3lo3 h ALA 25 N 0.35 2.16 0.00 1.67 0.00 -1.80 0.79 119.26 122.44 3lo3 h ALA 25 Ca -0.01 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3lo3 h ALA 25 Cb 0.45 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3lo3 h ALA 25 CO 0.02 -0.66 -0.28 0.66 0.00 0.00 0.00 179.25 178.99 3lo3 h SER 26 N 0.37 0.00 0.91 0.00 4.64 -1.87 -2.73 113.55 114.87 3lo3 h SER 26 Ca 0.67 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.85 3lo3 h SER 26 Cb 1.64 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.71 3lo3 h SER 26 CO -0.41 0.28 -0.63 0.71 -0.87 0.00 0.00 176.83 175.90 3lo3 h THR 27 N 0.00 1.28 -0.39 2.95 1.35 0.49 -3.28 112.91 115.31 3lo3 h THR 27 Ca -0.00 -2.31 -0.09 0.00 -0.55 0.00 0.00 66.41 63.46 3lo3 h THR 27 Cb 0.64 2.31 -0.01 0.00 -1.73 0.00 0.00 68.15 69.36 3lo3 h THR 27 CO 0.04 0.62 -0.09 -0.07 -0.25 0.00 0.00 175.52 175.77 3lo3 h LEU 28 N 0.00 0.76 -0.57 3.87 3.38 -1.33 -3.36 115.31 118.06 3lo3 h LEU 28 Ca -0.01 -0.36 0.11 0.00 0.09 0.00 0.00 57.88 57.72 3lo3 h LEU 28 Cb 1.26 -0.21 -0.11 0.00 0.09 0.00 0.00 40.66 41.69 3lo3 h LEU 28 CO 0.08 0.94 -0.21 0.00 0.09 0.00 0.00 178.44 179.35 3lo3 h ALA 29 N 0.84 0.24 -0.54 1.53 0.00 -1.60 -0.12 119.26 119.61 3lo3 h ALA 29 Ca 0.10 0.21 0.11 0.00 0.00 0.00 0.00 54.91 55.32 3lo3 h ALA 29 Cb 0.61 0.56 -0.11 0.00 0.00 0.00 0.00 17.79 18.85 3lo3 h ALA 29 CO 0.04 -0.52 -0.20 -0.22 0.00 0.00 0.00 179.25 178.35 3lo3 h LYS 30 N -0.07 -0.07 -0.52 0.00 3.64 -1.75 -0.09 116.57 117.71 3lo3 h LYS 30 Ca 0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3lo3 h LYS 30 Cb 0.48 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 3lo3 h LYS 30 CO -0.63 -0.05 0.00 0.66 -2.27 0.00 0.00 179.45 177.17 3lo3 n TYR 31 N -5.41 0.74 -3.89 1.91 4.01 -0.24 -4.91 117.16 109.37 3lo3 n TYR 31 Ca 0.05 -0.32 -0.27 0.00 -0.16 0.00 0.00 57.90 57.21 3lo3 n TYR 31 Cb 0.32 -0.10 0.01 0.00 -0.31 0.00 0.00 39.34 39.26 3lo3 n TYR 31 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3lo3 n SER 32 N 0.62 -2.09 -4.89 7.72 7.64 -0.05 -4.65 113.62 117.93 3lo3 n SER 32 Ca 0.14 -0.89 -0.30 0.00 1.01 0.00 0.00 58.87 58.84 3lo3 n SER 32 Cb 0.48 -3.56 -0.03 0.00 -1.01 0.00 0.00 64.21 60.08 3lo3 n SER 32 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3lo3 s GLY 33 N -3.97 1.90 -0.13 0.23 0.00 -0.50 -4.28 107.32 100.57 3lo3 s GLY 33 Ca 0.26 -0.32 -0.06 0.00 0.00 0.00 0.00 44.72 44.60 3lo3 s GLY 33 CO 0.85 -0.16 0.29 1.85 0.00 0.00 0.00 173.10 175.93 3lo3 s GLU 34 N -3.78 0.21 -0.03 2.90 2.12 -0.40 -4.53 118.70 115.19 3lo3 s GLU 34 Ca 0.49 0.70 -0.30 0.00 0.36 0.00 0.00 54.97 56.22 3lo3 s GLU 34 Cb -0.10 -0.03 -0.05 0.00 0.26 0.00 0.00 34.13 34.20 3lo3 s GLU 34 CO 0.31 -0.22 1.52 0.08 -0.54 0.00 0.00 175.26 176.40 3lo3 s VAL 35 N 1.90 3.64 -0.19 3.70 1.01 -1.26 -1.47 120.40 127.74 3lo3 s VAL 35 Ca -0.04 0.92 -0.03 0.00 0.00 0.00 0.00 61.98 62.82 3lo3 s VAL 35 Cb -0.11 -3.59 -0.22 0.00 0.00 0.00 0.00 36.38 32.46 3lo3 s VAL 35 CO -0.09 -0.04 0.08 -0.11 0.00 0.00 0.00 175.10 174.94 3lo3 n LEU 36 N 6.25 2.76 -3.48 3.92 7.94 0.08 -4.97 117.00 129.50 3lo3 n LEU 36 Ca 0.15 0.06 -0.14 0.00 -1.11 0.00 0.00 56.01 54.97 3lo3 n LEU 36 Cb 0.43 -1.02 -0.04 0.00 0.53 0.00 0.00 43.42 43.32 3lo3 n LEU 36 CO 0.60 0.88 0.48 0.54 -1.11 0.00 0.00 177.39 178.78 3lo3 s VAL 37 N -2.54 0.00 -0.01 1.96 0.11 -1.22 -4.99 120.40 113.71 3lo3 s VAL 37 Ca -0.28 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 58.70 3lo3 s VAL 37 Cb 0.08 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.93 3lo3 s VAL 37 CO 0.69 0.00 0.13 -1.59 -3.33 0.00 0.00 175.10 170.99 3lo3 s LYS 38 N -2.43 0.39 0.00 1.54 -2.85 -1.26 -0.88 119.74 114.25 3lo3 s LYS 38 Ca -0.04 -0.25 0.00 0.00 -1.00 0.00 0.00 55.97 54.68 3lo3 s LYS 38 Cb -0.01 0.16 0.00 0.00 -2.06 0.00 0.00 37.83 35.93 3lo3 s LYS 38 CO -0.02 -0.08 0.00 0.41 0.10 0.00 0.00 175.35 175.75 3lo3 n GLY 39 N 1.88 1.12 3.78 0.59 0.00 -0.80 -5.00 105.19 106.76 3lo3 n GLY 39 Ca -0.20 -0.70 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 3lo3 n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3lo3 s SER 40 N 0.00 6.45 -0.02 1.61 0.01 -1.26 -1.43 113.70 119.06 3lo3 s SER 40 Ca 0.00 2.15 -0.26 0.00 1.31 0.00 0.00 55.95 59.15 3lo3 s SER 40 Cb 0.00 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 3lo3 s SER 40 CO 0.00 -0.71 0.81 -0.69 0.41 0.00 0.00 173.24 173.06 3lo3 s VAL 41 N -1.63 4.93 -0.18 3.43 1.01 -0.43 -4.89 120.40 122.63 3lo3 s VAL 41 Ca 0.61 1.69 -0.07 0.00 0.00 0.00 0.00 61.98 64.21 3lo3 s VAL 41 Cb -0.25 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 3lo3 s VAL 41 CO 0.30 0.24 0.04 -0.70 0.00 0.00 0.00 175.10 174.99 3lo3 s GLU 42 N 0.71 3.88 0.03 2.72 2.12 -1.26 -4.96 118.70 121.94 3lo3 s GLU 42 Ca 0.43 -0.39 -0.30 0.00 0.36 0.00 0.00 54.97 55.06 3lo3 s GLU 42 Cb -0.19 -3.17 -0.05 0.00 0.26 0.00 0.00 34.13 30.98 3lo3 s GLU 42 CO 0.22 0.21 1.14 -1.14 -0.54 0.00 0.00 175.26 175.15 3lo3 s GLN 43 N 0.51 4.46 -0.18 4.30 2.00 -1.26 -4.92 119.66 124.57 3lo3 s GLN 43 Ca 0.02 1.66 0.17 0.00 -2.00 0.00 0.00 55.36 55.21 3lo3 s GLN 43 Cb -0.13 -3.39 -0.23 0.00 0.80 0.00 0.00 33.01 30.05 3lo3 s GLN 43 CO 0.01 -0.21 0.07 1.28 -0.50 0.00 0.00 175.29 175.94 3lo3 n LEU 44 N 4.02 0.00 -3.62 3.68 4.77 -1.26 -5.02 117.00 119.57 3lo3 n LEU 44 Ca 0.08 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.93 3lo3 n LEU 44 Cb 0.48 0.46 -0.07 0.00 -2.33 0.00 0.00 43.42 41.95 3lo3 n LEU 44 CO 0.54 0.46 0.48 -2.28 -1.33 0.00 0.00 177.39 175.27 3lo3 s HIS 45 N -2.46 -0.72 0.00 -1.77 5.04 -1.26 -5.14 115.29 108.98 3lo3 s HIS 45 Ca -0.09 1.72 0.00 0.00 -1.54 0.00 0.00 55.06 55.14 3lo3 s HIS 45 Cb 0.06 0.30 0.00 0.00 0.04 0.00 0.00 32.58 32.98 3lo3 s HIS 45 CO 0.77 -0.37 0.00 0.41 -2.34 0.00 0.00 174.74 173.21 3lo3 n GLY 46 N 2.44 -0.34 3.18 1.59 0.00 -1.26 -4.86 105.19 105.94 3lo3 n GLY 46 Ca -0.14 -1.06 -0.21 0.00 0.00 0.00 0.00 46.02 44.61 3lo3 n GLY 46 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3lo3 s LYS 47 N 0.00 1.04 -0.13 1.61 0.00 -1.26 -5.05 119.74 115.96 3lo3 s LYS 47 Ca 0.00 -0.86 -0.06 0.00 0.00 0.00 0.00 55.97 55.05 3lo3 s LYS 47 Cb 0.00 -1.10 0.06 0.00 0.00 0.00 0.00 37.83 36.78 3lo3 s LYS 47 CO 0.00 0.27 0.29 0.12 0.00 0.00 0.00 175.35 176.03 3lo3 s PHE 48 N -0.91 -0.43 -0.82 1.78 5.36 -1.26 -5.05 117.98 116.65 3lo3 s PHE 48 Ca 0.03 0.96 0.23 0.00 -0.96 0.00 0.00 56.93 57.19 3lo3 s PHE 48 Cb -0.08 0.07 0.91 0.00 -0.34 0.00 0.00 43.02 43.58 3lo3 s PHE 48 CO 0.02 -0.30 1.71 0.39 -1.46 0.00 0.00 175.22 175.58 3lo3 n GLU 49 N 4.63 0.10 -3.91 10.12 -0.58 -1.26 -4.88 120.64 124.86 3lo3 n GLU 49 Ca -0.18 0.22 -0.22 0.00 -0.42 0.00 0.00 57.16 56.55 3lo3 n GLU 49 Cb 0.52 -1.65 -0.05 0.00 -0.57 0.00 0.00 31.44 29.69 3lo3 n GLU 49 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3lo3 s HIS 50 N -3.09 2.72 -0.13 -0.32 3.76 -1.26 -4.95 115.29 112.02 3lo3 s HIS 50 Ca 0.09 -0.44 0.18 0.00 -0.15 0.00 0.00 55.06 54.74 3lo3 s HIS 50 Cb 0.13 -1.88 -0.23 0.00 1.11 0.00 0.00 32.58 31.70 3lo3 s HIS 50 CO 0.43 0.15 0.42 1.63 -0.85 0.00 0.00 174.74 176.53 3lo3 n LYS 51 N -1.32 0.66 -3.86 1.40 5.02 -0.42 -4.85 118.16 114.79 3lo3 n LYS 51 Ca -0.01 0.05 -0.10 0.00 -2.02 0.00 0.00 58.31 56.24 3lo3 n LYS 51 Cb 0.62 -1.63 -0.06 0.00 -0.02 0.00 0.00 35.03 33.94 3lo3 n LYS 51 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3lo3 s ALA 52 N -2.83 -0.42 0.06 7.82 0.00 -0.75 -1.31 121.76 124.33 3lo3 s ALA 52 Ca -0.07 -0.58 0.04 0.00 0.00 0.00 0.00 51.96 51.35 3lo3 s ALA 52 Cb 0.09 0.84 -0.03 0.00 0.00 0.00 0.00 23.12 24.02 3lo3 s ALA 52 CO 0.84 -0.71 -0.12 -0.65 0.00 0.00 0.00 175.76 175.13 3lo3 s GLN 53 N -3.92 0.72 0.02 0.00 -0.21 -0.52 -0.74 119.66 115.01 3lo3 s GLN 53 Ca 0.13 -0.86 0.06 0.00 0.02 0.00 0.00 55.36 54.71 3lo3 s GLN 53 Cb 0.02 -0.64 -0.02 0.00 1.00 0.00 0.00 33.01 33.37 3lo3 s GLN 53 CO -0.02 0.14 -0.17 0.08 -2.12 0.00 0.00 175.29 173.19 3lo3 s VAL 54 N -1.27 1.39 -0.20 1.09 1.01 -0.66 -1.90 120.40 119.86 3lo3 s VAL 54 Ca -0.05 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 60.96 3lo3 s VAL 54 Cb -0.10 -1.21 0.02 0.00 0.00 0.00 0.00 36.38 35.10 3lo3 s VAL 54 CO 0.02 0.20 -0.16 -0.63 0.00 0.00 0.00 175.10 174.53 3lo3 s ILE 55 N -0.68 2.28 -0.21 2.22 1.01 -0.06 -0.91 121.20 124.86 3lo3 s ILE 55 Ca 0.05 -0.95 -0.10 0.00 0.00 0.00 0.00 60.65 59.66 3lo3 s ILE 55 Cb -0.08 -2.02 -0.05 0.00 0.01 0.00 0.00 42.46 40.33 3lo3 s ILE 55 CO 0.01 0.46 0.13 -0.76 0.00 0.00 0.00 174.94 174.77 3lo3 s LEU 56 N 1.30 4.12 -0.09 2.97 1.43 -0.27 -0.74 118.68 127.40 3lo3 s LEU 56 Ca 0.04 0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 53.30 3lo3 s LEU 56 Cb -0.14 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 3lo3 s LEU 56 CO -0.11 0.15 -0.03 -0.70 0.23 0.00 0.00 176.35 175.90 3lo3 s GLU 57 N 0.53 3.03 0.11 1.70 2.12 -0.54 -0.19 118.70 125.45 3lo3 s GLU 57 Ca 0.07 -0.47 0.03 0.00 0.36 0.00 0.00 54.97 54.95 3lo3 s GLU 57 Cb -0.12 -2.75 -0.04 0.00 0.26 0.00 0.00 34.13 31.49 3lo3 s GLU 57 CO -0.00 0.61 -0.08 -0.06 -0.54 0.00 0.00 175.26 175.19 3lo3 s PHE 58 N -0.64 0.99 -1.17 5.30 0.08 0.27 -1.28 117.98 121.54 3lo3 s PHE 58 Ca 0.10 -0.81 0.18 0.00 0.12 0.00 0.00 56.93 56.51 3lo3 s PHE 58 Cb -0.12 -0.55 0.80 0.00 -0.57 0.00 0.00 43.02 42.59 3lo3 s PHE 58 CO 0.02 -0.07 1.55 -2.30 -0.10 0.00 0.00 175.22 174.32 3lo3 n PRO 59 N 0.10 0.10 -3.51 0.24 -0.02 -1.26 -1.02 135.00 129.62 3lo3 n PRO 59 Ca -0.13 0.17 -0.08 0.00 -2.02 0.00 0.00 63.50 61.44 3lo3 n PRO 59 Cb 0.60 -1.50 -0.02 0.00 -0.02 0.00 0.00 33.50 32.56 3lo3 n PRO 59 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3lo3 s SER 60 N -2.83 -0.37 0.12 2.55 1.04 -1.26 -4.15 113.70 108.80 3lo3 s SER 60 Ca 0.12 -0.03 -0.14 0.00 0.48 0.00 0.00 55.95 56.37 3lo3 s SER 60 Cb 0.12 0.42 -0.03 0.00 0.10 0.00 0.00 66.02 66.63 3lo3 s SER 60 CO 0.30 -0.69 1.53 -0.09 0.98 0.00 0.00 173.24 175.27 3lo3 h ARG 61 N 2.00 0.76 -0.75 4.02 2.43 -1.80 -2.53 114.38 118.50 3lo3 h ARG 61 Ca -0.24 -0.29 0.15 0.00 -0.81 0.00 0.00 59.98 58.79 3lo3 h ARG 61 Cb 1.25 -0.04 -0.10 0.00 -0.42 0.00 0.00 29.97 30.66 3lo3 h ARG 61 CO 0.31 0.90 0.28 0.93 -1.51 0.00 0.00 179.97 180.88 3lo3 h GLU 62 N 0.56 0.40 -0.52 0.20 5.08 -1.96 0.65 114.58 118.99 3lo3 h GLU 62 Ca 0.10 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 3lo3 h GLU 62 Cb 0.62 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 3lo3 h GLU 62 CO 0.04 0.26 0.08 -0.44 -1.00 0.00 0.00 179.01 177.95 3lo3 h ASP 63 N 0.41 0.83 -0.12 1.42 3.32 -1.86 0.20 116.42 120.62 3lo3 h ASP 63 Ca 0.42 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 3lo3 h ASP 63 Cb 0.66 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 3lo3 h ASP 63 CO -0.43 0.88 0.07 0.00 -1.72 0.00 0.00 179.24 178.05 3lo3 h ALA 64 N 0.98 0.16 0.39 3.45 0.00 -0.90 0.00 119.26 123.34 3lo3 h ALA 64 Ca 0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3lo3 h ALA 64 Cb 0.41 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3lo3 h ALA 64 CO 0.01 -0.32 -0.19 -0.92 0.00 0.00 0.00 179.25 177.83 3lo3 h TYR 65 N 0.11 -0.49 -0.56 0.00 3.20 -0.74 -2.44 116.97 116.06 3lo3 h TYR 65 Ca 0.04 -0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.04 3lo3 h TYR 65 Cb 0.05 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 3lo3 h TYR 65 CO -0.05 -0.20 0.39 -0.91 -1.64 0.00 0.00 178.16 175.75 3lo3 h ASN 66 N -0.72 0.14 0.21 -2.11 2.35 -0.62 -1.54 115.58 113.30 3lo3 h ASN 66 Ca -0.05 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 3lo3 h ASN 66 Cb 0.51 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.86 3lo3 h ASN 66 CO 0.09 0.08 -0.10 -0.25 -1.65 0.00 0.00 177.43 175.59 3lo3 h TRP 67 N 0.15 -0.27 0.00 1.19 7.01 -0.78 0.24 115.95 123.50 3lo3 h TRP 67 Ca 0.27 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.26 3lo3 h TRP 67 Cb 0.84 0.09 0.00 0.00 -2.10 0.00 0.00 29.16 27.99 3lo3 h TRP 67 CO -0.00 -0.02 0.00 -0.92 -2.79 0.00 0.00 178.44 174.71 3lo3 h TYR 68 N -0.49 0.00 -0.21 2.65 3.20 -0.82 -2.11 116.97 119.19 3lo3 h TYR 68 Ca -0.03 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3lo3 h TYR 68 Cb 0.37 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.64 3lo3 h TYR 68 CO -0.01 0.00 0.00 0.72 -1.64 0.00 0.00 178.16 177.23 3lo3 n HIS 69 N -2.89 0.28 -2.21 -3.82 8.25 -0.77 -4.56 115.22 109.50 3lo3 n HIS 69 Ca -0.02 -0.39 -0.37 0.00 -0.26 0.00 0.00 57.72 56.69 3lo3 n HIS 69 Cb 0.12 -0.03 -0.00 0.00 1.12 0.00 0.00 29.99 31.20 3lo3 n HIS 69 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3lo3 s SER 70 N -0.94 5.96 0.22 0.41 1.04 0.82 -4.88 113.70 116.33 3lo3 s SER 70 Ca 0.16 2.31 -0.09 0.00 0.48 0.00 0.00 55.95 58.82 3lo3 s SER 70 Cb 0.09 -2.60 0.21 0.00 0.10 0.00 0.00 66.02 63.82 3lo3 s SER 70 CO 0.12 -1.06 1.87 -0.33 0.98 0.00 0.00 173.24 174.81 3lo3 h GLU 71 N 1.76 0.95 -0.20 4.02 5.08 -1.89 -0.93 114.58 123.36 3lo3 h GLU 71 Ca -0.50 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 57.86 3lo3 h GLU 71 Cb 1.26 -0.21 -0.06 0.00 0.50 0.00 0.00 28.75 30.23 3lo3 h GLU 71 CO 0.59 0.63 -0.22 0.93 -1.00 0.00 0.00 179.01 179.94 3lo3 h GLU 72 N 0.98 -0.23 -0.19 2.33 3.07 -1.93 -1.82 114.58 116.77 3lo3 h GLU 72 Ca 0.31 0.02 -0.18 0.00 -0.50 0.00 0.00 59.36 59.00 3lo3 h GLU 72 Cb -0.01 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 27.95 3lo3 h GLU 72 CO -0.10 -0.16 -0.62 -0.92 -1.40 0.00 0.00 179.01 175.81 3lo3 h TYR 73 N -0.24 0.86 -0.14 4.33 3.20 -1.73 -3.20 116.97 120.04 3lo3 h TYR 73 Ca 0.12 -0.33 -0.00 0.00 3.14 0.00 0.00 58.73 61.66 3lo3 h TYR 73 Cb 0.43 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 3lo3 h TYR 73 CO -0.36 1.11 0.07 1.96 -1.64 0.00 0.00 178.16 179.30 3lo3 h GLN 74 N 0.50 0.19 0.00 1.82 1.08 -0.92 -0.51 115.11 117.27 3lo3 h GLN 74 Ca -0.01 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 3lo3 h GLN 74 Cb 1.20 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.59 3lo3 h GLN 74 CO 0.12 0.16 0.00 0.00 -0.95 0.00 0.00 178.83 178.16 3lo3 h ALA 75 N 1.88 1.00 -0.02 3.87 0.00 -1.32 -2.90 119.26 121.77 3lo3 h ALA 75 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3lo3 h ALA 75 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3lo3 h ALA 75 CO -0.01 0.00 -0.31 1.28 0.00 0.00 0.00 179.25 180.21 3lo3 n LEU 76 N -2.51 1.83 0.07 0.00 4.77 -0.20 -4.60 117.00 116.36 3lo3 n LEU 76 Ca -0.01 -0.63 -0.21 0.00 -0.03 0.00 0.00 56.01 55.13 3lo3 n LEU 76 Cb 0.08 -0.03 -0.13 0.00 -2.33 0.00 0.00 43.42 41.00 3lo3 n LEU 76 CO 0.14 0.33 0.02 0.40 -1.33 0.00 0.00 177.39 176.95 3lo3 h ILE 77 N 2.39 1.36 -0.65 -0.08 2.04 -1.61 -2.05 117.51 118.91 3lo3 h ILE 77 Ca 0.00 -2.40 0.13 0.00 1.00 0.00 0.00 64.86 63.59 3lo3 h ILE 77 Cb 0.70 2.78 -0.12 0.00 -0.74 0.00 0.00 36.82 39.43 3lo3 h ILE 77 CO 0.00 0.71 -0.19 0.28 0.00 0.00 0.00 178.15 178.95 3lo3 h SER 78 N 0.07 -0.70 -0.16 1.72 0.02 -1.81 0.24 113.55 112.92 3lo3 h SER 78 Ca -0.16 0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3lo3 h SER 78 Cb 1.74 0.43 -0.01 0.00 0.14 0.00 0.00 62.40 64.71 3lo3 h SER 78 CO 0.20 -0.23 0.09 0.74 -1.14 0.00 0.00 176.83 176.49 3lo3 h THR 79 N -0.03 1.10 -0.41 -2.27 2.02 -1.84 -2.90 112.91 108.57 3lo3 h THR 79 Ca 0.30 -0.27 0.06 0.00 0.77 0.00 0.00 66.41 67.28 3lo3 h THR 79 Cb 0.50 0.98 -0.05 0.00 -1.74 0.00 0.00 68.15 67.83 3lo3 h THR 79 CO -0.68 0.09 0.11 -0.09 0.37 0.00 0.00 175.52 175.33 3lo3 h ARG 80 N 0.17 0.25 0.00 6.66 2.43 -0.56 -1.59 114.38 121.73 3lo3 h ARG 80 Ca 0.06 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3lo3 h ARG 80 Cb 0.07 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3lo3 h ARG 80 CO -0.01 0.16 0.00 -0.25 -1.51 0.00 0.00 179.97 178.36 3lo3 n ASP 81 N -5.06 0.00 -0.05 -3.80 8.00 0.75 -0.94 116.55 115.46 3lo3 n ASP 81 Ca 0.03 0.31 -0.12 0.00 0.71 0.00 0.00 54.79 55.72 3lo3 n ASP 81 Cb 0.17 -0.42 -0.14 0.00 -0.02 0.00 0.00 41.12 40.71 3lo3 n ASP 81 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3lo3 n LEU 82 N -1.42 1.07 0.11 0.64 4.77 -0.87 -4.71 117.00 116.60 3lo3 n LEU 82 Ca 0.06 0.21 0.12 0.00 -0.03 0.00 0.00 56.01 56.36 3lo3 n LEU 82 Cb 0.18 -0.03 0.46 0.00 -2.33 0.00 0.00 43.42 41.71 3lo3 n LEU 82 CO 0.15 0.54 0.86 0.61 -1.33 0.00 0.00 177.39 178.23 3lo3 n GLY 83 N 1.75 -1.38 3.85 -0.72 0.00 -0.11 -3.39 105.19 105.19 3lo3 n GLY 83 Ca -0.27 0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.42 3lo3 n GLY 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3lo3 s ASP 85 N -4.17 6.36 0.15 1.61 -0.00 -0.18 0.21 116.67 120.66 3lo3 s ASP 85 Ca 0.07 0.43 -0.17 0.00 -0.00 0.00 0.00 52.55 52.87 3lo3 s ASP 85 Cb 0.11 -2.07 0.04 0.00 -0.00 0.00 0.00 42.92 40.99 3lo3 s ASP 85 CO 0.44 0.37 0.46 -0.94 -0.00 0.00 0.00 175.17 175.51 3lo3 s SER 86 N -0.79 -0.27 -0.04 0.27 1.04 -1.26 0.15 113.70 112.78 3lo3 s SER 86 Ca 0.14 -0.35 0.06 0.00 0.48 0.00 0.00 55.95 56.27 3lo3 s SER 86 Cb -0.12 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 3lo3 s SER 86 CO 0.03 -0.94 -0.22 0.00 0.98 0.00 0.00 173.24 173.09 3lo3 s GLN 87 N -3.83 2.18 -0.18 4.02 -2.07 0.29 -4.97 119.66 115.10 3lo3 s GLN 87 Ca 0.05 -0.80 0.01 0.00 -1.82 0.00 0.00 55.36 52.80 3lo3 s GLN 87 Cb 0.01 -1.91 0.01 0.00 -1.09 0.00 0.00 33.01 30.03 3lo3 s GLN 87 CO -0.09 0.37 -0.18 -0.06 -1.32 0.00 0.00 175.29 174.01 3lo3 s PHE 88 N -0.19 2.79 -0.11 9.60 2.99 -1.26 -1.20 117.98 130.61 3lo3 s PHE 88 Ca -0.01 -1.50 -0.02 0.00 0.00 0.00 0.00 56.93 55.40 3lo3 s PHE 88 Cb -0.12 -1.93 -0.03 0.00 0.00 0.00 0.00 43.02 40.94 3lo3 s PHE 88 CO 0.02 -0.74 -0.03 -0.65 -0.00 0.00 0.00 175.22 173.82 3lo3 s GLN 89 N 1.24 3.16 -0.13 0.44 1.11 0.26 -4.95 119.66 120.79 3lo3 s GLN 89 Ca 0.03 -0.48 -0.08 0.00 0.01 0.00 0.00 55.36 54.84 3lo3 s GLN 89 Cb -0.14 -2.79 -0.04 0.00 -1.01 0.00 0.00 33.01 29.03 3lo3 s GLN 89 CO -0.10 0.54 0.16 -1.17 0.01 0.00 0.00 175.29 174.73 3lo3 s LEU 90 N -0.45 4.36 -0.01 2.90 2.96 -1.26 -0.69 118.68 126.49 3lo3 s LEU 90 Ca 0.07 0.46 -0.00 0.00 -0.22 0.00 0.00 54.13 54.44 3lo3 s LEU 90 Cb -0.12 -2.12 0.01 0.00 0.50 0.00 0.00 46.19 44.47 3lo3 s LEU 90 CO 0.02 0.35 0.02 -0.63 -1.32 0.00 0.00 176.35 174.79 3lo3 s ILE 91 N -0.72 -0.03 0.00 6.68 1.01 -0.12 -5.01 121.20 123.01 3lo3 s ILE 91 Ca 0.14 0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.89 3lo3 s ILE 91 Cb -0.12 -0.05 0.00 0.00 0.01 0.00 0.00 42.46 42.30 3lo3 s ILE 91 CO 0.03 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.63