#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 4.93 -1.15 6.43 4.22 -1.26 -5.04 114.94 123.07 3lo3 s ASN 0 Ca 0.00 -0.74 -0.04 0.00 -2.14 0.00 0.00 52.86 49.95 3lo3 s ASN 0 Cb 0.00 -0.70 0.24 0.00 1.28 0.00 0.00 41.25 42.07 3lo3 s ASN 0 CO 0.00 -0.48 1.96 0.00 -2.04 0.00 0.00 177.10 176.54 3lo3 n ALA 1 N -1.37 6.11 -1.36 3.54 0.00 -1.26 -4.99 120.51 121.18 3lo3 n ALA 1 Ca -0.00 -4.45 -0.53 0.00 0.00 0.00 0.00 53.44 48.46 3lo3 n ALA 1 Cb 0.62 -2.47 -0.07 0.00 0.00 0.00 0.00 19.45 17.52 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 1.04 0.00 -4.25 0.00 -1.04 -1.26 -4.13 114.28 104.63 3lo3 n THR 2 Ca 0.48 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 62.26 3lo3 n THR 2 Cb 0.28 -0.13 -0.07 0.00 -1.82 0.00 0.00 70.33 68.59 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 0.76 3.24 0.02 2.41 0.00 0.17 -4.80 121.76 123.56 3lo3 s ALA 3 Ca 0.82 -1.69 0.02 0.00 0.00 0.00 0.00 51.96 51.11 3lo3 s ALA 3 Cb -1.16 -0.77 -0.01 0.00 0.00 0.00 0.00 23.12 21.18 3lo3 s ALA 3 CO 0.56 0.21 -0.07 0.71 0.00 0.00 0.00 175.76 177.17 3lo3 s TYR 4 N -2.35 0.62 -0.16 0.00 2.02 0.20 -1.21 117.35 116.47 3lo3 s TYR 4 Ca 0.33 -0.30 -0.01 0.00 -0.37 0.00 0.00 57.07 56.73 3lo3 s TYR 4 Cb -0.05 -0.38 -0.01 0.00 -0.40 0.00 0.00 41.96 41.12 3lo3 s TYR 4 CO 0.21 -0.04 -0.13 0.42 -1.57 0.00 0.00 175.55 174.44 3lo3 s ILE 5 N -0.75 2.88 -0.21 2.71 1.01 -0.45 -1.28 121.20 125.11 3lo3 s ILE 5 Ca -0.04 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 59.88 3lo3 s ILE 5 Cb -0.06 -2.23 -0.01 0.00 0.01 0.00 0.00 42.46 40.16 3lo3 s ILE 5 CO 0.00 0.50 -0.03 -0.63 0.00 0.00 0.00 174.94 174.79 3lo3 s ILE 6 N 0.79 3.58 -0.09 2.92 1.01 0.41 -0.62 121.20 129.20 3lo3 s ILE 6 Ca -0.05 -0.43 0.01 0.00 0.00 0.00 0.00 60.65 60.18 3lo3 s ILE 6 Cb -0.15 -2.62 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 3lo3 s ILE 6 CO 0.01 0.43 -0.10 0.54 0.00 0.00 0.00 174.94 175.81 3lo3 s VAL 7 N 1.27 3.34 -0.12 2.92 0.11 0.72 -0.59 120.40 128.06 3lo3 s VAL 7 Ca 0.03 -0.59 -0.02 0.00 -2.93 0.00 0.00 61.98 58.47 3lo3 s VAL 7 Cb -0.14 -2.38 -0.03 0.00 -1.53 0.00 0.00 36.38 32.30 3lo3 s VAL 7 CO -0.01 0.56 -0.02 -0.83 -3.33 0.00 0.00 175.10 171.47 3lo3 s GLY 8 N -0.26 1.77 0.07 6.54 0.00 -0.36 -0.72 107.32 114.36 3lo3 s GLY 8 Ca 0.02 -0.82 -0.05 0.00 0.00 0.00 0.00 44.72 43.88 3lo3 s GLY 8 CO 0.03 -0.34 0.08 0.48 0.00 0.00 0.00 173.10 173.35 3lo3 s LEU 9 N -0.28 1.95 -0.17 0.66 -0.00 -0.50 -0.76 118.68 119.59 3lo3 s LEU 9 Ca 0.05 -0.85 -0.01 0.00 -0.00 0.00 0.00 54.13 53.32 3lo3 s LEU 9 Cb -0.12 0.60 0.05 0.00 -0.00 0.00 0.00 46.19 46.72 3lo3 s LEU 9 CO 0.02 -0.67 -0.01 -0.89 -0.00 0.00 0.00 176.35 174.80 3lo3 s THR 10 N -3.90 0.86 0.18 5.48 2.01 0.19 -2.00 115.64 118.45 3lo3 s THR 10 Ca 0.07 -0.58 -0.32 0.00 0.31 0.00 0.00 61.69 61.17 3lo3 s THR 10 Cb 0.06 -1.16 -0.12 0.00 0.01 0.00 0.00 72.50 71.30 3lo3 s THR 10 CO -0.10 -0.01 1.77 -2.65 -0.69 0.00 0.00 174.62 172.94 3lo3 n PRO 11 N 4.95 2.78 0.00 4.92 -0.02 -1.26 -1.95 135.00 144.42 3lo3 n PRO 11 Ca -0.10 1.01 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 3lo3 n PRO 11 Cb 0.47 -2.87 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 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 4.62 0.00 -2.25 -0.52 5.02 0.12 -4.90 118.16 120.24 3lo3 n LYS 12 Ca 0.17 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.03 3lo3 n LYS 12 Cb 0.36 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.34 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 -0.79 6.86 0.31 4.39 -1.08 -1.09 -4.95 116.67 120.31 3lo3 s ASP 13 Ca 0.00 2.00 0.16 0.00 -0.52 0.00 0.00 52.55 54.19 3lo3 s ASP 13 Cb 0.00 -2.55 0.39 0.00 -1.46 0.00 0.00 42.92 39.30 3lo3 s ASP 13 CO 0.00 -0.76 1.60 0.00 0.52 0.00 0.00 175.17 176.53 3lo3 h ALA 14 N 8.22 0.84 -0.10 3.66 0.00 -1.92 -0.73 119.26 129.23 3lo3 h ALA 14 Ca -0.35 -0.46 -0.10 0.00 0.00 0.00 0.00 54.91 54.00 3lo3 h ALA 14 Cb 1.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3lo3 h ALA 14 CO 0.93 0.63 -0.33 1.49 0.00 0.00 0.00 179.25 181.97 3lo3 h GLU 15 N 0.00 0.40 -0.32 0.00 4.81 -1.96 -2.56 114.58 114.94 3lo3 h GLU 15 Ca -0.01 -0.30 -0.13 0.00 -0.13 0.00 0.00 59.36 58.80 3lo3 h GLU 15 Cb 1.14 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 3lo3 h GLU 15 CO 0.07 0.92 -0.34 0.87 -0.73 0.00 0.00 179.01 179.80 3lo3 h LYS 16 N -0.05 0.71 -0.98 1.92 1.57 -1.91 -1.95 116.57 115.88 3lo3 h LYS 16 Ca -0.01 -0.33 0.02 0.00 -1.87 0.00 0.00 60.65 58.45 3lo3 h LYS 16 Cb 0.96 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 33.21 3lo3 h LYS 16 CO 0.07 0.94 0.65 1.25 -0.57 0.00 0.00 179.45 181.79 3lo3 h LEU 17 N 0.60 1.11 -0.42 2.94 5.85 -1.18 -0.45 115.31 123.76 3lo3 h LEU 17 Ca 0.06 -0.02 -0.18 0.00 0.84 0.00 0.00 57.88 58.58 3lo3 h LEU 17 Cb 0.86 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 3lo3 h LEU 17 CO 0.07 0.79 -0.73 -0.61 -0.34 0.00 0.00 178.44 177.63 3lo3 h GLN 18 N 1.30 0.38 0.40 1.25 4.15 -1.30 -0.80 115.11 120.49 3lo3 h GLN 18 Ca 0.36 -0.31 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 3lo3 h GLN 18 Cb -0.12 0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.64 3lo3 h GLN 18 CO -0.09 0.95 -0.20 1.96 -1.93 0.00 0.00 178.83 179.52 3lo3 h GLN 19 N 0.26 -0.53 -0.52 1.69 4.20 -0.77 -1.18 115.11 118.25 3lo3 h GLN 19 Ca -0.03 0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.74 3lo3 h GLN 19 Cb 1.30 0.12 -0.03 0.00 0.30 0.00 0.00 27.48 29.17 3lo3 h GLN 19 CO 0.12 -0.35 0.31 -0.92 -0.67 0.00 0.00 178.83 177.32 3lo3 h TYR 20 N -0.55 0.58 -0.42 2.96 3.20 -1.08 -2.39 116.97 119.26 3lo3 h TYR 20 Ca -0.05 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.88 3lo3 h TYR 20 Cb 0.43 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 3lo3 h TYR 20 CO -0.05 0.33 0.28 0.78 -1.64 0.00 0.00 178.16 177.86 3lo3 h GLY 21 N 0.62 0.47 2.00 1.82 0.00 -0.98 -1.94 103.07 105.06 3lo3 h GLY 21 Ca 0.21 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 3lo3 h GLY 21 CO -0.10 0.13 -0.18 0.00 0.00 0.00 0.00 176.54 176.40 3lo3 h ALA 22 N 1.77 0.96 0.00 3.60 0.00 -0.68 -3.30 119.26 121.60 3lo3 h ALA 22 Ca 0.18 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3lo3 h ALA 22 Cb 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3lo3 h ALA 22 CO -0.04 0.22 -1.74 -2.13 0.00 0.00 0.00 179.25 175.56 3lo3 n ARG 23 N -3.25 0.62 -0.19 0.00 3.00 -0.74 -4.64 116.66 111.46 3lo3 n ARG 23 Ca 0.01 -0.12 -0.09 0.00 -0.00 0.00 0.00 57.85 57.65 3lo3 n ARG 23 Cb 0.46 -1.58 0.02 0.00 0.00 0.00 0.00 32.46 31.36 3lo3 n ARG 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3lo3 h VAL 24 N 0.00 1.25 -0.52 5.15 2.07 -1.62 -3.24 116.25 119.33 3lo3 h VAL 24 Ca 0.00 -0.92 0.10 0.00 0.82 0.00 0.00 66.70 66.70 3lo3 h VAL 24 Cb 0.98 0.80 -0.09 0.00 -1.52 0.00 0.00 31.29 31.45 3lo3 h VAL 24 CO 0.00 0.34 -0.05 0.00 0.02 0.00 0.00 177.57 177.88 3lo3 h ALA 25 N 1.00 0.44 0.00 1.67 0.00 -1.82 0.27 119.26 120.82 3lo3 h ALA 25 Ca 0.17 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 3lo3 h ALA 25 Cb 0.38 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3lo3 h ALA 25 CO 0.01 -0.41 -0.04 0.66 0.00 0.00 0.00 179.25 179.46 3lo3 h SER 26 N 0.07 0.00 0.86 0.00 4.64 -1.88 0.99 113.55 118.23 3lo3 h SER 26 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3lo3 h SER 26 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3lo3 h SER 26 CO -0.48 0.04 -0.18 1.07 -0.87 0.00 0.00 176.83 176.41 3lo3 n THR 27 N -3.25 0.04 -0.08 2.95 5.66 0.85 -4.23 114.28 116.22 3lo3 n THR 27 Ca -0.01 -0.02 -0.08 0.00 -3.05 0.00 0.00 64.05 60.88 3lo3 n THR 27 Cb 0.22 -0.25 -0.03 0.00 -1.55 0.00 0.00 70.33 68.73 3lo3 n THR 27 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 3lo3 n LEU 28 N -1.56 1.87 0.19 1.09 4.77 0.32 -4.45 117.00 119.23 3lo3 n LEU 28 Ca 0.06 0.49 0.16 0.00 -0.03 0.00 0.00 56.01 56.69 3lo3 n LEU 28 Cb 0.35 -0.82 0.60 0.00 -2.33 0.00 0.00 43.42 41.22 3lo3 n LEU 28 CO 0.30 -0.32 1.14 0.00 -1.33 0.00 0.00 177.39 177.17 3lo3 h ALA 29 N -0.98 1.90 -0.67 -1.18 0.00 -1.69 0.42 119.26 117.06 3lo3 h ALA 29 Ca -0.04 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3lo3 h ALA 29 Cb 0.79 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 3lo3 h ALA 29 CO -0.02 -0.74 0.18 -0.22 0.00 0.00 0.00 179.25 178.45 3lo3 h LYS 30 N 0.00 1.05 -0.55 0.00 3.64 -1.78 -2.51 116.57 116.42 3lo3 h LYS 30 Ca 0.12 -0.23 -0.15 0.00 -1.27 0.00 0.00 60.65 59.12 3lo3 h LYS 30 Cb 1.33 -0.15 -0.09 0.00 -0.41 0.00 0.00 32.23 32.91 3lo3 h LYS 30 CO -0.00 0.92 0.14 0.66 -2.27 0.00 0.00 179.45 178.90 3lo3 n TYR 31 N -4.25 1.83 -2.54 1.91 4.01 0.14 -4.93 117.16 113.33 3lo3 n TYR 31 Ca 0.05 -1.17 -0.15 0.00 -0.16 0.00 0.00 57.90 56.46 3lo3 n TYR 31 Cb 0.24 -0.56 -0.00 0.00 -0.31 0.00 0.00 39.34 38.71 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 -0.39 -4.42 -3.71 7.72 7.64 -0.81 -4.75 113.62 114.90 3lo3 n SER 32 Ca 0.34 0.08 -0.30 0.00 1.01 0.00 0.00 58.87 60.00 3lo3 n SER 32 Cb 1.20 -3.71 0.25 0.00 -1.01 0.00 0.00 64.21 60.93 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 -2.13 1.60 0.00 0.23 0.00 -0.58 -4.46 107.32 101.98 3lo3 s GLY 33 Ca 0.05 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.73 3lo3 s GLY 33 CO 0.06 -0.12 0.00 -2.21 0.00 0.00 0.00 173.10 170.83 3lo3 n GLU 34 N -4.79 0.00 -3.18 2.90 2.13 -1.09 -4.42 120.64 112.19 3lo3 n GLU 34 Ca 0.14 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.57 3lo3 n GLU 34 Cb 0.60 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.25 3lo3 n GLU 34 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3lo3 s VAL 35 N -0.92 5.08 -0.44 6.31 1.01 -1.26 -0.68 120.40 129.49 3lo3 s VAL 35 Ca 0.00 1.11 0.09 0.00 0.00 0.00 0.00 61.98 63.18 3lo3 s VAL 35 Cb 0.00 -3.91 -0.09 0.00 0.00 0.00 0.00 36.38 32.39 3lo3 s VAL 35 CO 0.00 0.18 0.39 0.00 0.00 0.00 0.00 175.10 175.67 3lo3 n LEU 36 N 4.58 0.47 -3.69 3.92 -0.00 -0.02 -4.95 117.00 117.30 3lo3 n LEU 36 Ca -0.03 -0.52 -0.14 0.00 -0.00 0.00 0.00 56.01 55.32 3lo3 n LEU 36 Cb 0.50 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.84 3lo3 n LEU 36 CO 0.44 0.11 0.18 -0.69 -0.00 0.00 0.00 177.39 177.42 3lo3 s VAL 37 N -1.78 0.02 -0.01 1.47 1.01 -1.18 -4.97 120.40 114.95 3lo3 s VAL 37 Ca 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 61.98 61.87 3lo3 s VAL 37 Cb 0.07 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.73 3lo3 s VAL 37 CO 0.35 -0.07 0.02 -0.54 0.00 0.00 0.00 175.10 174.86 3lo3 s LYS 38 N -0.45 0.02 0.00 2.72 1.02 -1.26 -1.97 119.74 119.82 3lo3 s LYS 38 Ca -0.06 0.05 0.00 0.00 0.02 0.00 0.00 55.97 55.98 3lo3 s LYS 38 Cb -0.03 -0.01 0.00 0.00 -0.52 0.00 0.00 37.83 37.26 3lo3 s LYS 38 CO 0.03 -0.02 0.00 0.41 -0.92 0.00 0.00 175.35 174.85 3lo3 n GLY 39 N 3.18 1.44 3.76 -3.33 0.00 -1.04 -5.02 105.19 104.19 3lo3 n GLY 39 Ca -0.14 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 4.60 -0.15 1.61 0.01 -1.26 -0.72 113.70 117.79 3lo3 s SER 40 Ca 0.00 1.91 -0.05 0.00 1.31 0.00 0.00 55.95 59.13 3lo3 s SER 40 Cb 0.00 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.66 3lo3 s SER 40 CO 0.00 -1.98 0.02 -0.69 0.41 0.00 0.00 173.24 171.01 3lo3 s VAL 41 N -2.69 4.44 -0.24 3.43 1.01 0.13 -4.82 120.40 121.66 3lo3 s VAL 41 Ca 0.64 -0.17 -0.05 0.00 0.00 0.00 0.00 61.98 62.39 3lo3 s VAL 41 Cb -0.19 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 3lo3 s VAL 41 CO 0.51 0.52 -0.00 -0.70 0.00 0.00 0.00 175.10 175.43 3lo3 s GLU 42 N -0.03 3.37 0.04 2.72 2.12 -1.26 -4.95 118.70 120.71 3lo3 s GLU 42 Ca 0.04 -0.64 -0.30 0.00 0.36 0.00 0.00 54.97 54.43 3lo3 s GLU 42 Cb -0.13 -3.13 -0.06 0.00 0.26 0.00 0.00 34.13 31.08 3lo3 s GLU 42 CO 0.02 -0.24 1.42 -1.14 -0.54 0.00 0.00 175.26 174.78 3lo3 s GLN 43 N 1.50 4.29 0.00 4.30 2.00 -1.26 -4.90 119.66 125.59 3lo3 s GLN 43 Ca 0.05 2.02 0.22 0.00 -2.00 0.00 0.00 55.36 55.65 3lo3 s GLN 43 Cb -0.15 -3.49 -0.21 0.00 0.80 0.00 0.00 33.01 29.96 3lo3 s GLN 43 CO -0.01 -0.55 0.77 1.28 -0.50 0.00 0.00 175.29 176.28 3lo3 n LEU 44 N 4.99 0.54 0.00 3.68 4.77 -1.26 -5.02 117.00 124.70 3lo3 n LEU 44 Ca 0.13 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3lo3 n LEU 44 Cb 0.43 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3lo3 n LEU 44 CO 0.59 0.11 0.00 1.57 -1.33 0.00 0.00 177.39 178.33 3lo3 n HIS 45 N -1.89 0.00 -0.03 -1.77 -0.00 -1.26 -5.18 115.22 105.09 3lo3 n HIS 45 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 3lo3 n HIS 45 Cb 0.44 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.43 3lo3 n HIS 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3lo3 n GLY 46 N -0.03 -1.83 3.85 1.57 0.00 -1.26 -4.88 105.19 102.62 3lo3 n GLY 46 Ca 0.00 -1.50 -0.34 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.84 3.90 -0.17 1.61 0.00 -1.26 -5.04 119.74 116.94 3lo3 s LYS 47 Ca 0.00 0.38 -0.04 0.00 0.00 0.00 0.00 55.97 56.31 3lo3 s LYS 47 Cb 0.00 -2.89 0.08 0.00 0.00 0.00 0.00 37.83 35.01 3lo3 s LYS 47 CO 0.00 0.47 0.18 0.12 0.00 0.00 0.00 175.35 176.11 3lo3 s PHE 48 N -1.52 -0.15 0.38 1.78 5.36 -1.26 -5.05 117.98 117.52 3lo3 s PHE 48 Ca 0.39 0.18 0.16 0.00 -0.96 0.00 0.00 56.93 56.70 3lo3 s PHE 48 Cb -0.14 -0.42 1.06 0.00 -0.34 0.00 0.00 43.02 43.19 3lo3 s PHE 48 CO 0.19 -0.51 1.74 1.49 -1.46 0.00 0.00 175.22 176.67 3lo3 h GLU 49 N 8.35 0.41 -6.39 10.12 4.81 -2.01 -3.45 114.58 126.41 3lo3 h GLU 49 Ca -0.16 -0.02 -0.46 0.00 -0.13 0.00 0.00 59.36 58.59 3lo3 h GLU 49 Cb 1.14 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 30.44 3lo3 h GLU 49 CO 0.25 0.27 -0.26 -1.01 -0.73 0.00 0.00 179.01 177.54 3lo3 s HIS 50 N -5.57 2.49 -0.13 0.92 3.76 -1.26 -5.00 115.29 110.50 3lo3 s HIS 50 Ca -0.09 -0.50 0.07 0.00 -0.15 0.00 0.00 55.06 54.39 3lo3 s HIS 50 Cb 0.26 -2.28 -0.23 0.00 1.11 0.00 0.00 32.58 31.44 3lo3 s HIS 50 CO 0.80 -0.48 0.31 1.63 -0.85 0.00 0.00 174.74 176.15 3lo3 n LYS 51 N -1.85 0.68 -4.17 1.40 4.76 -0.85 -4.89 118.16 113.26 3lo3 n LYS 51 Ca 0.08 0.20 -0.11 0.00 -2.87 0.00 0.00 58.31 55.61 3lo3 n LYS 51 Cb 0.60 -1.67 -0.10 0.00 -1.84 0.00 0.00 35.03 32.02 3lo3 n LYS 51 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3lo3 s ALA 52 N -2.55 0.97 -0.01 7.82 0.00 -0.92 0.22 121.76 127.30 3lo3 s ALA 52 Ca -0.15 -1.52 0.01 0.00 0.00 0.00 0.00 51.96 50.30 3lo3 s ALA 52 Cb 0.07 0.89 -0.00 0.00 0.00 0.00 0.00 23.12 24.08 3lo3 s ALA 52 CO 0.78 -0.48 -0.05 -0.65 0.00 0.00 0.00 175.76 175.36 3lo3 s GLN 53 N -4.04 0.41 0.02 0.00 -1.52 0.10 -1.41 119.66 113.22 3lo3 s GLN 53 Ca 0.26 -0.16 0.09 0.00 -1.95 0.00 0.00 55.36 53.60 3lo3 s GLN 53 Cb 0.07 -0.41 -0.03 0.00 -0.22 0.00 0.00 33.01 32.43 3lo3 s GLN 53 CO 0.03 0.09 -0.26 0.08 -0.25 0.00 0.00 175.29 174.98 3lo3 s VAL 54 N -0.02 2.08 -0.19 1.09 1.01 0.10 -2.49 120.40 121.98 3lo3 s VAL 54 Ca 0.01 -1.28 -0.00 0.00 0.00 0.00 0.00 61.98 60.70 3lo3 s VAL 54 Cb -0.03 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.60 3lo3 s VAL 54 CO -0.00 0.43 -0.16 -0.63 0.00 0.00 0.00 175.10 174.74 3lo3 s ILE 55 N -0.73 2.39 -0.12 2.22 1.01 -0.83 -0.20 121.20 124.93 3lo3 s ILE 55 Ca 0.11 -0.83 -0.02 0.00 0.00 0.00 0.00 60.65 59.91 3lo3 s ILE 55 Cb -0.10 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.31 3lo3 s ILE 55 CO 0.01 0.51 -0.03 -0.76 0.00 0.00 0.00 174.94 174.67 3lo3 s LEU 56 N 1.34 3.36 -0.11 2.97 1.43 0.20 -0.85 118.68 127.03 3lo3 s LEU 56 Ca 0.05 -0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 53.11 3lo3 s LEU 56 Cb -0.13 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 3lo3 s LEU 56 CO -0.11 0.27 0.00 -0.70 0.23 0.00 0.00 176.35 176.04 3lo3 s GLU 57 N -0.23 3.22 0.04 1.70 2.12 0.15 -1.34 118.70 124.36 3lo3 s GLU 57 Ca 0.04 -0.42 0.02 0.00 0.36 0.00 0.00 54.97 54.98 3lo3 s GLU 57 Cb -0.13 -2.86 -0.02 0.00 0.26 0.00 0.00 34.13 31.38 3lo3 s GLU 57 CO 0.02 0.57 -0.08 -0.06 -0.54 0.00 0.00 175.26 175.17 3lo3 s PHE 58 N -0.52 0.70 -1.14 5.30 0.08 -0.35 -2.67 117.98 119.38 3lo3 s PHE 58 Ca 0.09 -0.44 0.06 0.00 0.12 0.00 0.00 56.93 56.76 3lo3 s PHE 58 Cb -0.12 -0.42 0.27 0.00 -0.57 0.00 0.00 43.02 42.19 3lo3 s PHE 58 CO 0.02 -0.06 1.14 -2.30 -0.10 0.00 0.00 175.22 173.92 3lo3 n PRO 59 N 1.67 0.03 -3.59 0.24 -0.02 -1.26 -0.65 135.00 131.41 3lo3 n PRO 59 Ca -0.21 0.34 -0.08 0.00 -2.02 0.00 0.00 63.50 61.53 3lo3 n PRO 59 Cb 0.55 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.49 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 -2.86 -0.26 0.54 2.55 1.04 -1.26 -4.25 113.70 109.19 3lo3 s SER 60 Ca 0.04 0.26 0.22 0.00 0.48 0.00 0.00 55.95 56.95 3lo3 s SER 60 Cb 0.04 0.22 1.40 0.00 0.10 0.00 0.00 66.02 67.78 3lo3 s SER 60 CO 0.10 -0.26 2.08 -0.09 0.98 0.00 0.00 173.24 176.06 3lo3 h ARG 61 N 2.36 0.00 0.13 4.02 2.43 -1.78 -1.88 114.38 119.66 3lo3 h ARG 61 Ca -0.15 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 3lo3 h ARG 61 Cb 1.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3lo3 h ARG 61 CO 0.28 0.00 -0.06 0.93 -1.51 0.00 0.00 179.97 179.61 3lo3 h GLU 62 N 0.00 -0.17 -0.52 0.20 5.08 -1.95 -1.94 114.58 115.29 3lo3 h GLU 62 Ca 0.11 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3lo3 h GLU 62 Cb 0.48 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 3lo3 h GLU 62 CO -0.00 -0.01 0.25 -0.44 -1.00 0.00 0.00 179.01 177.81 3lo3 h ASP 63 N -0.30 0.67 0.62 1.42 3.32 -1.70 -1.86 116.42 118.60 3lo3 h ASP 63 Ca -0.02 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 56.88 3lo3 h ASP 63 Cb 0.24 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 3lo3 h ASP 63 CO 0.03 0.61 -0.37 0.00 -1.72 0.00 0.00 179.24 177.79 3lo3 h ALA 64 N 1.09 -1.20 -0.63 3.45 0.00 -1.42 -0.93 119.26 119.62 3lo3 h ALA 64 Ca 0.18 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 55.02 3lo3 h ALA 64 Cb 0.11 0.47 -0.11 0.00 0.00 0.00 0.00 17.79 18.25 3lo3 h ALA 64 CO -0.02 -1.16 -0.07 -0.92 0.00 0.00 0.00 179.25 177.08 3lo3 h TYR 65 N -0.92 -0.18 -0.78 0.00 3.20 -1.28 0.22 116.97 117.23 3lo3 h TYR 65 Ca -0.08 0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.85 3lo3 h TYR 65 Cb 0.73 0.18 -0.04 0.00 1.54 0.00 0.00 36.73 39.14 3lo3 h TYR 65 CO -0.03 -0.22 0.52 -0.91 -1.64 0.00 0.00 178.16 175.88 3lo3 h ASN 66 N 0.06 0.90 -0.40 -2.11 2.35 -1.29 -2.27 115.58 112.82 3lo3 h ASN 66 Ca 0.32 -0.02 0.07 0.00 -0.55 0.00 0.00 56.30 56.12 3lo3 h ASN 66 Cb 0.51 -0.22 -0.07 0.00 0.05 0.00 0.00 38.32 38.59 3lo3 h ASN 66 CO -0.59 0.65 -0.01 -0.25 -1.65 0.00 0.00 177.43 175.58 3lo3 h TRP 67 N 1.06 -0.04 -0.27 1.19 7.01 0.85 0.18 115.95 125.93 3lo3 h TRP 67 Ca 0.29 0.03 -0.05 0.00 2.11 0.00 0.00 58.89 61.26 3lo3 h TRP 67 Cb -0.12 0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.00 3lo3 h TRP 67 CO -0.02 -0.09 -0.06 -0.92 -2.79 0.00 0.00 178.44 174.56 3lo3 h TYR 68 N 0.09 0.45 -0.45 2.65 3.20 -1.02 -2.95 116.97 118.95 3lo3 h TYR 68 Ca 0.19 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.01 3lo3 h TYR 68 Cb 0.28 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.42 3lo3 h TYR 68 CO -0.27 0.50 0.00 0.72 -1.64 0.00 0.00 178.16 177.46 3lo3 n HIS 69 N -4.26 0.60 -2.87 -3.82 8.25 -0.53 -4.48 115.22 108.10 3lo3 n HIS 69 Ca 0.01 -0.30 -0.40 0.00 -0.26 0.00 0.00 57.72 56.77 3lo3 n HIS 69 Cb 0.27 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.32 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 -1.24 7.41 0.27 0.41 1.04 0.53 -4.86 113.70 117.25 3lo3 s SER 70 Ca 0.38 1.68 -0.10 0.00 0.48 0.00 0.00 55.95 58.38 3lo3 s SER 70 Cb 0.21 -2.53 0.40 0.00 0.10 0.00 0.00 66.02 64.20 3lo3 s SER 70 CO 0.28 0.06 1.57 -0.08 0.98 0.00 0.00 173.24 176.04 3lo3 h GLU 71 N 5.11 -0.00 -0.38 4.02 4.81 -1.91 0.17 114.58 126.40 3lo3 h GLU 71 Ca -0.44 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 58.84 3lo3 h GLU 71 Cb 1.21 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.54 3lo3 h GLU 71 CO 0.70 -0.00 0.09 1.05 -0.73 0.00 0.00 179.01 180.12 3lo3 h GLU 72 N -0.00 0.22 -0.11 1.92 9.09 -1.94 -2.19 114.58 121.56 3lo3 h GLU 72 Ca 0.44 -0.01 -0.23 0.00 0.05 0.00 0.00 59.36 59.61 3lo3 h GLU 72 Cb 0.68 -0.05 0.01 0.00 -1.65 0.00 0.00 28.75 27.75 3lo3 h GLU 72 CO -0.98 0.14 -0.84 -0.92 0.05 0.00 0.00 179.01 176.46 3lo3 h TYR 73 N 0.23 1.01 -0.49 2.06 3.20 -1.32 -3.26 116.97 118.39 3lo3 h TYR 73 Ca 0.18 -0.47 0.12 0.00 3.14 0.00 0.00 58.73 61.70 3lo3 h TYR 73 Cb 0.19 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.30 3lo3 h TYR 73 CO -0.18 1.30 0.34 1.96 -1.64 0.00 0.00 178.16 179.94 3lo3 h GLN 74 N 0.48 0.12 0.00 1.82 1.08 -0.35 0.33 115.11 118.59 3lo3 h GLN 74 Ca -0.07 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.12 3lo3 h GLN 74 Cb 1.47 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.88 3lo3 h GLN 74 CO 0.17 0.08 0.00 0.00 -0.95 0.00 0.00 178.83 178.12 3lo3 n ALA 75 N -2.59 1.98 0.70 3.87 0.00 -0.86 -2.46 120.51 121.14 3lo3 n ALA 75 Ca 0.08 0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.67 3lo3 n ALA 75 Cb 0.48 -1.42 0.41 0.00 0.00 0.00 0.00 19.45 18.92 3lo3 n ALA 75 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3lo3 n LEU 76 N -2.14 0.65 0.11 0.00 4.77 0.10 -4.43 117.00 116.07 3lo3 n LEU 76 Ca 0.04 0.50 -0.13 0.00 -0.03 0.00 0.00 56.01 56.39 3lo3 n LEU 76 Cb 0.32 -0.33 -0.08 0.00 -2.33 0.00 0.00 43.42 41.00 3lo3 n LEU 76 CO 0.24 -0.12 0.79 0.40 -1.33 0.00 0.00 177.39 177.36 3lo3 h ILE 77 N 0.00 0.87 -0.53 -0.08 2.04 -1.56 0.32 117.51 118.56 3lo3 h ILE 77 Ca 0.00 -0.12 0.11 0.00 1.00 0.00 0.00 64.86 65.84 3lo3 h ILE 77 Cb 0.69 0.94 -0.09 0.00 -0.74 0.00 0.00 36.82 37.62 3lo3 h ILE 77 CO 0.00 0.03 -0.02 0.77 0.00 0.00 0.00 178.15 178.93 3lo3 h SER 78 N -0.28 -0.27 0.51 1.72 4.64 -1.80 0.94 113.55 119.00 3lo3 h SER 78 Ca -0.02 0.13 -0.09 0.00 -0.47 0.00 0.00 61.79 61.35 3lo3 h SER 78 Cb 0.22 0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 3lo3 h SER 78 CO 0.04 -0.10 -0.41 0.00 -0.87 0.00 0.00 176.83 175.48 3lo3 h THR 79 N 0.10 1.19 -0.32 2.95 1.03 -1.75 -2.76 112.91 113.35 3lo3 h THR 79 Ca 0.27 -1.46 -0.01 0.00 -0.01 0.00 0.00 66.41 65.20 3lo3 h THR 79 Cb 0.42 1.81 -0.02 0.00 -1.07 0.00 0.00 68.15 69.29 3lo3 h THR 79 CO -0.47 0.40 0.17 -0.09 -0.01 0.00 0.00 175.52 175.53 3lo3 h ARG 80 N 0.00 0.45 0.00 0.00 2.43 0.77 -2.54 114.38 115.49 3lo3 h ARG 80 Ca -0.00 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3lo3 h ARG 80 Cb 0.78 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.24 3lo3 h ARG 80 CO 0.05 0.39 -0.01 -0.44 -1.51 0.00 0.00 179.97 178.45 3lo3 h ASP 81 N 0.40 0.00 0.35 -3.80 5.19 -0.60 -1.55 116.42 116.41 3lo3 h ASP 81 Ca 0.11 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.20 3lo3 h ASP 81 Cb 0.07 0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.60 3lo3 h ASP 81 CO -0.02 0.01 -1.51 -0.07 -3.12 0.00 0.00 179.24 174.54 3lo3 h LEU 82 N 0.00 0.64 0.00 1.55 3.38 -1.48 -3.41 115.31 115.98 3lo3 h LEU 82 Ca -0.00 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 57.21 3lo3 h LEU 82 Cb 0.50 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3lo3 h LEU 82 CO 0.00 1.61 0.00 0.61 0.09 0.00 0.00 178.44 180.76 3lo3 n GLY 83 N 1.70 -0.97 3.74 0.83 0.00 -0.58 -2.67 105.19 107.24 3lo3 n GLY 83 Ca -0.17 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.88 5.86 0.19 1.61 -0.00 -0.82 0.15 116.67 120.78 3lo3 s ASP 85 Ca 0.10 0.25 -0.12 0.00 -0.00 0.00 0.00 52.55 52.77 3lo3 s ASP 85 Cb 0.10 -1.90 0.00 0.00 -0.00 0.00 0.00 42.92 41.13 3lo3 s ASP 85 CO 0.27 0.30 0.40 -0.94 -0.00 0.00 0.00 175.17 175.20 3lo3 s SER 86 N -0.41 -0.08 -0.04 0.27 1.04 -1.26 -0.64 113.70 112.59 3lo3 s SER 86 Ca 0.10 -0.77 0.03 0.00 0.48 0.00 0.00 55.95 55.79 3lo3 s SER 86 Cb -0.12 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.52 3lo3 s SER 86 CO 0.02 -0.99 -0.10 0.00 0.98 0.00 0.00 173.24 173.14 3lo3 s GLN 87 N -3.95 1.19 -0.18 4.02 -2.07 0.06 -4.98 119.66 113.76 3lo3 s GLN 87 Ca 0.16 -0.36 0.00 0.00 -1.82 0.00 0.00 55.36 53.34 3lo3 s GLN 87 Cb 0.01 -1.08 0.01 0.00 -1.09 0.00 0.00 33.01 30.87 3lo3 s GLN 87 CO 0.01 0.11 -0.16 -0.06 -1.32 0.00 0.00 175.29 173.87 3lo3 s PHE 88 N 0.29 2.81 -0.12 9.60 2.99 -1.26 -1.23 117.98 131.06 3lo3 s PHE 88 Ca -0.06 -1.37 0.02 0.00 0.00 0.00 0.00 56.93 55.52 3lo3 s PHE 88 Cb -0.11 -1.94 -0.01 0.00 0.00 0.00 0.00 43.02 40.96 3lo3 s PHE 88 CO 0.01 -0.68 -0.17 -0.65 -0.00 0.00 0.00 175.22 173.73 3lo3 s GLN 89 N 1.20 3.23 -0.20 0.44 1.11 0.24 -4.96 119.66 120.73 3lo3 s GLN 89 Ca 0.02 -0.76 -0.10 0.00 0.01 0.00 0.00 55.36 54.53 3lo3 s GLN 89 Cb -0.14 -2.50 -0.05 0.00 -1.01 0.00 0.00 33.01 29.31 3lo3 s GLN 89 CO -0.08 0.22 0.15 -1.17 0.01 0.00 0.00 175.29 174.42 3lo3 s LEU 90 N 0.30 4.20 0.07 2.90 0.20 -1.26 -0.44 118.68 124.65 3lo3 s LEU 90 Ca -0.13 0.25 0.01 0.00 0.69 0.00 0.00 54.13 54.95 3lo3 s LEU 90 Cb -0.16 -2.12 -0.03 0.00 -0.43 0.00 0.00 46.19 43.44 3lo3 s LEU 90 CO 0.07 0.16 -0.06 0.27 -0.29 0.00 0.00 176.35 176.49 3lo3 s ILE 91 N 0.46 0.54 0.00 6.68 -0.00 -0.40 -5.02 121.20 123.45 3lo3 s ILE 91 Ca 0.09 -1.54 0.00 0.00 -0.00 0.00 0.00 60.65 59.20 3lo3 s ILE 91 Cb -0.11 -1.17 0.00 0.00 -0.00 0.00 0.00 42.46 41.17 3lo3 s ILE 91 CO -0.01 -0.69 0.00 0.61 -0.00 0.00 0.00 174.94 174.86