#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 5.53 -0.95 6.43 4.22 -1.26 -5.04 114.94 123.87 3lo3 s ASN 0 Ca 0.00 -0.51 -0.01 0.00 -2.14 0.00 0.00 52.86 50.20 3lo3 s ASN 0 Cb 0.00 -0.54 0.30 0.00 1.28 0.00 0.00 41.25 42.28 3lo3 s ASN 0 CO 0.00 -0.81 1.33 0.00 -2.04 0.00 0.00 177.10 175.58 3lo3 n ALA 1 N -1.85 5.00 -1.34 3.54 0.00 -1.26 -5.02 120.51 119.57 3lo3 n ALA 1 Ca 0.08 -4.78 -0.51 0.00 0.00 0.00 0.00 53.44 48.24 3lo3 n ALA 1 Cb 0.60 -1.93 -0.06 0.00 0.00 0.00 0.00 19.45 18.06 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 1.00 0.64 -4.20 0.00 -1.04 -1.23 -4.28 114.28 105.18 3lo3 n THR 2 Ca 0.29 -0.16 -0.25 0.00 -2.04 0.00 0.00 64.05 61.89 3lo3 n THR 2 Cb 0.34 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.78 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 -0.32 3.55 -0.01 2.41 0.00 -0.69 -4.78 121.76 121.91 3lo3 s ALA 3 Ca 0.75 -2.11 -0.08 0.00 0.00 0.00 0.00 51.96 50.51 3lo3 s ALA 3 Cb -1.06 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 21.76 3lo3 s ALA 3 CO 0.52 -0.16 0.17 0.71 0.00 0.00 0.00 175.76 177.00 3lo3 s TYR 4 N -2.62 -0.03 -0.16 0.00 2.02 0.41 -2.00 117.35 114.97 3lo3 s TYR 4 Ca 0.40 0.03 0.01 0.00 -0.37 0.00 0.00 57.07 57.14 3lo3 s TYR 4 Cb 0.05 -0.01 0.02 0.00 -0.40 0.00 0.00 41.96 41.62 3lo3 s TYR 4 CO 0.22 -0.27 -0.17 0.42 -1.57 0.00 0.00 175.55 174.18 3lo3 s ILE 5 N -1.12 1.78 -0.19 2.71 1.01 -0.12 -0.39 121.20 124.86 3lo3 s ILE 5 Ca -0.12 -0.76 -0.08 0.00 0.00 0.00 0.00 60.65 59.68 3lo3 s ILE 5 Cb -0.06 -1.64 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 3lo3 s ILE 5 CO 0.02 0.49 0.09 0.27 0.00 0.00 0.00 174.94 175.81 3lo3 s ILE 6 N 1.40 5.01 -0.12 2.92 -4.36 -0.78 -0.55 121.20 124.73 3lo3 s ILE 6 Ca 0.05 0.05 -0.04 0.00 -0.26 0.00 0.00 60.65 60.45 3lo3 s ILE 6 Cb -0.13 -3.27 -0.03 0.00 1.25 0.00 0.00 42.46 40.27 3lo3 s ILE 6 CO -0.12 0.44 0.02 0.68 0.24 0.00 0.00 174.94 176.21 3lo3 s VAL 7 N 0.45 4.46 -0.22 8.37 -7.23 0.90 -2.24 120.40 124.89 3lo3 s VAL 7 Ca 0.05 -0.18 -0.06 0.00 -1.81 0.00 0.00 61.98 59.98 3lo3 s VAL 7 Cb -0.12 -2.92 -0.02 0.00 0.56 0.00 0.00 36.38 33.88 3lo3 s VAL 7 CO -0.00 0.56 0.02 -0.83 -0.31 0.00 0.00 175.10 174.54 3lo3 s GLY 8 N -0.46 1.72 0.03 2.32 0.00 -0.52 -0.89 107.32 109.51 3lo3 s GLY 8 Ca 0.09 -1.07 0.02 0.00 0.00 0.00 0.00 44.72 43.76 3lo3 s GLY 8 CO 0.02 0.38 -0.07 0.48 0.00 0.00 0.00 173.10 173.91 3lo3 s LEU 9 N 1.31 2.17 -0.15 0.66 -0.00 -0.41 -0.96 118.68 121.30 3lo3 s LEU 9 Ca 0.04 -0.39 0.01 0.00 -0.00 0.00 0.00 54.13 53.79 3lo3 s LEU 9 Cb -0.15 -0.22 0.02 0.00 -0.00 0.00 0.00 46.19 45.84 3lo3 s LEU 9 CO 0.02 -0.10 -0.16 0.42 -0.00 0.00 0.00 176.35 176.52 3lo3 s THR 10 N -0.92 1.71 0.19 5.48 -4.23 0.64 -1.36 115.64 117.14 3lo3 s THR 10 Ca -0.05 -0.73 -0.32 0.00 -1.18 0.00 0.00 61.69 59.41 3lo3 s THR 10 Cb -0.07 -1.57 -0.12 0.00 1.34 0.00 0.00 72.50 72.08 3lo3 s THR 10 CO 0.00 0.48 1.75 -2.84 -0.54 0.00 0.00 174.62 173.47 3lo3 s PRO 11 N 1.31 4.13 0.00 3.99 0.02 -1.26 -1.43 135.00 141.75 3lo3 s PRO 11 Ca 0.02 2.61 0.00 0.00 0.02 0.00 0.00 61.00 63.65 3lo3 s PRO 11 Cb -0.13 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 31.21 3lo3 s PRO 11 CO -0.09 -0.77 0.00 1.63 -0.33 0.00 0.00 177.00 177.44 3lo3 n LYS 12 N 4.33 0.00 -3.32 5.54 5.02 0.16 -4.89 118.16 125.00 3lo3 n LYS 12 Ca 0.16 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.02 3lo3 n LYS 12 Cb 0.36 -0.05 -0.09 0.00 -0.02 0.00 0.00 35.03 35.23 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 -1.29 6.19 0.12 4.39 -1.08 -1.01 -4.96 116.67 119.03 3lo3 s ASP 13 Ca 0.00 -0.71 -0.21 0.00 -0.52 0.00 0.00 52.55 51.11 3lo3 s ASP 13 Cb 0.00 -2.22 -0.06 0.00 -1.46 0.00 0.00 42.92 39.18 3lo3 s ASP 13 CO 0.00 -0.59 1.72 0.00 0.52 0.00 0.00 175.17 176.81 3lo3 h ALA 14 N 8.74 0.11 -0.30 3.66 0.00 -1.91 -0.53 119.26 129.03 3lo3 h ALA 14 Ca -0.26 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.74 3lo3 h ALA 14 Cb 1.11 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 3lo3 h ALA 14 CO 0.80 -0.47 0.08 1.49 0.00 0.00 0.00 179.25 181.15 3lo3 h GLU 15 N 0.02 0.19 0.00 0.00 4.81 -1.97 -1.20 114.58 116.43 3lo3 h GLU 15 Ca 0.07 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.16 3lo3 h GLU 15 Cb 0.10 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3lo3 h GLU 15 CO -0.14 0.12 -0.63 0.87 -0.73 0.00 0.00 179.01 178.51 3lo3 h LYS 16 N 0.19 0.00 -0.58 1.92 1.57 -1.87 -1.07 116.57 116.74 3lo3 h LYS 16 Ca 0.14 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 3lo3 h LYS 16 Cb 0.13 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 3lo3 h LYS 16 CO -0.17 0.63 0.38 1.25 -0.57 0.00 0.00 179.45 180.97 3lo3 h LEU 17 N 0.00 0.65 -0.51 2.94 6.46 -0.42 0.25 115.31 124.69 3lo3 h LEU 17 Ca -0.01 -0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.69 3lo3 h LEU 17 Cb 1.25 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 41.00 3lo3 h LEU 17 CO 0.08 0.47 0.12 -0.61 -0.62 0.00 0.00 178.44 177.88 3lo3 h GLN 18 N 0.77 0.82 -0.67 1.25 4.15 -0.99 0.55 115.11 121.00 3lo3 h GLN 18 Ca 0.22 -0.20 0.09 0.00 0.77 0.00 0.00 58.65 59.53 3lo3 h GLN 18 Cb -0.07 -0.11 -0.07 0.00 0.21 0.00 0.00 27.48 27.44 3lo3 h GLN 18 CO -0.05 0.78 0.31 1.96 -1.93 0.00 0.00 178.83 179.90 3lo3 h GLN 19 N 0.70 0.53 0.45 1.69 4.20 -0.38 -2.36 115.11 119.94 3lo3 h GLN 19 Ca 0.16 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 3lo3 h GLN 19 Cb 0.34 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.00 3lo3 h GLN 19 CO 0.00 0.35 -0.22 -0.92 -0.67 0.00 0.00 178.83 177.37 3lo3 h TYR 20 N 0.54 -0.56 -0.51 2.96 3.20 -0.09 -3.32 116.97 119.19 3lo3 h TYR 20 Ca 0.33 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.26 3lo3 h TYR 20 Cb 0.35 0.19 -0.07 0.00 1.54 0.00 0.00 36.73 38.74 3lo3 h TYR 20 CO -0.12 -0.25 0.15 0.78 -1.64 0.00 0.00 178.16 177.08 3lo3 h GLY 21 N -0.86 0.67 -0.49 1.82 0.00 -0.79 -0.73 103.07 102.69 3lo3 h GLY 21 Ca -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3lo3 h GLY 21 CO 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 176.54 176.61 3lo3 n ALA 22 N -2.48 1.79 0.00 3.60 0.00 -0.90 -2.73 120.51 119.80 3lo3 n ALA 22 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3lo3 n ALA 22 Cb 0.23 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.68 3lo3 n ALA 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3lo3 n ARG 23 N -0.12 2.44 -0.02 0.00 5.12 -0.30 -4.85 116.66 118.94 3lo3 n ARG 23 Ca 0.00 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.81 3lo3 n ARG 23 Cb 0.05 -0.81 -0.05 0.00 -1.16 0.00 0.00 32.46 30.49 3lo3 n ARG 23 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3lo3 h VAL 24 N 0.00 1.12 -0.97 1.55 2.07 -1.34 -3.20 116.25 115.48 3lo3 h VAL 24 Ca 0.00 -0.34 0.38 0.00 0.82 0.00 0.00 66.70 67.56 3lo3 h VAL 24 Cb 0.49 1.12 -0.18 0.00 -1.52 0.00 0.00 31.29 31.20 3lo3 h VAL 24 CO 0.00 0.11 0.43 0.00 0.02 0.00 0.00 177.57 178.13 3lo3 n ALA 25 N -2.19 0.91 0.88 1.67 0.00 -1.26 -0.69 120.51 119.83 3lo3 n ALA 25 Ca -0.05 1.00 0.13 0.00 0.00 0.00 0.00 53.44 54.52 3lo3 n ALA 25 Cb 0.09 -0.95 0.44 0.00 0.00 0.00 0.00 19.45 19.03 3lo3 n ALA 25 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3lo3 n SER 26 N -5.23 0.35 -0.49 0.00 3.41 -1.21 -2.55 113.62 107.90 3lo3 n SER 26 Ca 0.34 0.28 0.12 0.00 -0.26 0.00 0.00 58.87 59.36 3lo3 n SER 26 Cb 1.16 -0.29 0.46 0.00 -0.26 0.00 0.00 64.21 65.28 3lo3 n SER 26 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3lo3 n THR 27 N -1.71 0.11 -0.09 6.66 -2.24 0.14 -4.23 114.28 112.92 3lo3 n THR 27 Ca 0.06 -0.29 -0.23 0.00 -2.27 0.00 0.00 64.05 61.32 3lo3 n THR 27 Cb 0.37 0.38 -0.12 0.00 -2.10 0.00 0.00 70.33 68.86 3lo3 n THR 27 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3lo3 n LEU 28 N 0.19 2.11 -0.21 3.22 4.32 -1.06 -4.53 117.00 121.04 3lo3 n LEU 28 Ca 0.17 0.33 -0.00 0.00 -0.02 0.00 0.00 56.01 56.49 3lo3 n LEU 28 Cb 0.33 -0.97 0.07 0.00 -1.62 0.00 0.00 43.42 41.22 3lo3 n LEU 28 CO 0.14 0.49 0.74 0.00 -1.22 0.00 0.00 177.39 177.55 3lo3 h ALA 29 N -0.43 0.44 -0.80 -1.18 0.00 -1.74 0.57 119.26 116.12 3lo3 h ALA 29 Ca -0.44 0.24 0.15 0.00 0.00 0.00 0.00 54.91 54.87 3lo3 h ALA 29 Cb 1.55 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 19.76 3lo3 h ALA 29 CO -0.18 -0.42 0.53 -0.22 0.00 0.00 0.00 179.25 178.96 3lo3 h LYS 30 N 0.01 0.45 -0.58 0.00 3.64 -1.82 0.43 116.57 118.69 3lo3 h LYS 30 Ca 0.31 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3lo3 h LYS 30 Cb 0.47 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3lo3 h LYS 30 CO -0.65 0.30 0.00 0.66 -2.27 0.00 0.00 179.45 177.49 3lo3 n TYR 31 N -4.50 0.89 -3.85 1.91 4.01 0.16 -4.95 117.16 110.83 3lo3 n TYR 31 Ca 0.16 -0.53 -0.30 0.00 -0.16 0.00 0.00 57.90 57.06 3lo3 n TYR 31 Cb 0.54 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 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 1.14 -4.22 -4.79 7.72 7.64 0.11 -4.69 113.62 116.52 3lo3 n SER 32 Ca 0.21 -0.74 -0.29 0.00 1.01 0.00 0.00 58.87 59.06 3lo3 n SER 32 Cb 0.61 -3.41 0.13 0.00 -1.01 0.00 0.00 64.21 60.53 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 -3.14 1.58 -0.27 0.23 0.00 -0.35 -4.39 107.32 100.99 3lo3 s GLY 33 Ca 0.62 -0.50 -0.25 0.00 0.00 0.00 0.00 44.72 44.59 3lo3 s GLY 33 CO 0.76 0.04 1.04 1.85 0.00 0.00 0.00 173.10 176.80 3lo3 s GLU 34 N -5.28 0.50 -0.35 2.90 2.12 -0.44 -4.66 118.70 113.48 3lo3 s GLU 34 Ca 0.63 0.54 -0.29 0.00 0.36 0.00 0.00 54.97 56.21 3lo3 s GLU 34 Cb -0.15 0.24 0.02 0.00 0.26 0.00 0.00 34.13 34.50 3lo3 s GLU 34 CO 0.53 -0.07 1.16 0.08 -0.54 0.00 0.00 175.26 176.42 3lo3 s VAL 35 N 0.09 4.33 -0.06 3.70 1.01 -1.26 -0.06 120.40 128.15 3lo3 s VAL 35 Ca 0.03 1.48 -0.18 0.00 0.00 0.00 0.00 61.98 63.32 3lo3 s VAL 35 Cb -0.05 -4.39 -0.13 0.00 0.00 0.00 0.00 36.38 31.82 3lo3 s VAL 35 CO -0.06 -0.61 0.69 0.25 0.00 0.00 0.00 175.10 175.37 3lo3 h LEU 36 N 10.61 -0.19 -7.27 3.92 7.12 -0.90 -3.48 115.31 125.13 3lo3 h LEU 36 Ca -0.23 -0.30 -0.10 0.00 0.13 0.00 0.00 57.88 57.39 3lo3 h LEU 36 Cb 1.07 0.05 -0.21 0.00 -0.53 0.00 0.00 40.66 41.04 3lo3 h LEU 36 CO 1.06 0.38 -0.10 0.54 -0.13 0.00 0.00 178.44 180.18 3lo3 s VAL 37 N -3.02 0.02 0.12 1.05 0.11 -1.18 -4.98 120.40 112.52 3lo3 s VAL 37 Ca -0.11 -0.16 0.06 0.00 -2.93 0.00 0.00 61.98 58.85 3lo3 s VAL 37 Cb 0.00 -0.74 -0.04 0.00 -1.53 0.00 0.00 36.38 34.07 3lo3 s VAL 37 CO 0.38 -0.09 -0.15 -1.59 -3.33 0.00 0.00 175.10 170.32 3lo3 s LYS 38 N -0.63 1.03 0.00 1.54 -2.85 -1.26 0.00 119.74 117.57 3lo3 s LYS 38 Ca -0.07 -1.21 0.00 0.00 -1.00 0.00 0.00 55.97 53.69 3lo3 s LYS 38 Cb -0.03 -0.97 0.00 0.00 -2.06 0.00 0.00 37.83 34.77 3lo3 s LYS 38 CO 0.04 0.20 0.00 0.41 0.10 0.00 0.00 175.35 176.10 3lo3 n GLY 39 N 0.66 2.32 3.72 0.59 0.00 -1.00 -5.02 105.19 106.45 3lo3 n GLY 39 Ca -0.16 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 3lo3 n GLY 39 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3lo3 n SER 40 N 0.00 1.75 -4.78 1.61 2.88 -1.26 -1.60 113.62 112.22 3lo3 n SER 40 Ca 0.00 0.75 -0.36 0.00 -1.33 0.00 0.00 58.87 57.93 3lo3 n SER 40 Cb 0.00 -1.54 -0.08 0.00 -0.75 0.00 0.00 64.21 61.84 3lo3 n SER 40 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3lo3 s VAL 41 N -1.62 5.10 -0.03 2.46 1.01 -0.42 -4.86 120.40 122.04 3lo3 s VAL 41 Ca 0.80 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.86 3lo3 s VAL 41 Cb -0.35 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.77 3lo3 s VAL 41 CO 0.43 0.58 -0.09 -0.70 0.00 0.00 0.00 175.10 175.32 3lo3 s GLU 42 N -0.66 2.59 -0.24 2.72 2.12 -1.26 -4.97 118.70 118.99 3lo3 s GLU 42 Ca 0.12 -0.67 -0.17 0.00 0.36 0.00 0.00 54.97 54.61 3lo3 s GLU 42 Cb -0.12 -2.50 -0.03 0.00 0.26 0.00 0.00 34.13 31.74 3lo3 s GLU 42 CO 0.02 0.63 0.47 -1.14 -0.54 0.00 0.00 175.26 174.70 3lo3 s GLN 43 N -1.09 4.09 -0.08 4.30 2.00 -1.26 -4.92 119.66 122.69 3lo3 s GLN 43 Ca 0.14 0.26 0.16 0.00 -2.00 0.00 0.00 55.36 53.92 3lo3 s GLN 43 Cb -0.11 -3.62 -0.23 0.00 0.80 0.00 0.00 33.01 29.85 3lo3 s GLN 43 CO 0.04 -0.26 0.46 1.28 -0.50 0.00 0.00 175.29 176.31 3lo3 n LEU 44 N 5.22 0.51 -3.59 3.68 4.77 -1.26 -5.00 117.00 121.32 3lo3 n LEU 44 Ca -0.06 0.24 -0.12 0.00 -0.03 0.00 0.00 56.01 56.04 3lo3 n LEU 44 Cb 0.50 0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 41.80 3lo3 n LEU 44 CO 0.40 0.37 0.68 -2.28 -1.33 0.00 0.00 177.39 175.23 3lo3 s HIS 45 N -2.66 -0.49 0.00 -1.77 5.04 -1.26 -5.15 115.29 109.00 3lo3 s HIS 45 Ca -0.06 1.01 0.00 0.00 -1.54 0.00 0.00 55.06 54.46 3lo3 s HIS 45 Cb 0.08 0.40 0.00 0.00 0.04 0.00 0.00 32.58 33.09 3lo3 s HIS 45 CO 0.83 -0.35 0.00 0.41 -2.34 0.00 0.00 174.74 173.29 3lo3 n GLY 46 N 1.46 -1.61 3.18 1.59 0.00 -1.26 -4.88 105.19 103.67 3lo3 n GLY 46 Ca -0.13 -1.32 -0.31 0.00 0.00 0.00 0.00 46.02 44.26 3lo3 n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lo3 s LYS 47 N 0.00 2.82 -0.11 1.61 3.01 -1.26 -5.06 119.74 120.75 3lo3 s LYS 47 Ca 0.00 -0.80 0.00 0.00 -1.01 0.00 0.00 55.97 54.16 3lo3 s LYS 47 Cb 0.00 -2.17 0.02 0.00 -1.01 0.00 0.00 37.83 34.67 3lo3 s LYS 47 CO 0.00 0.13 -0.09 0.12 0.51 0.00 0.00 175.35 176.01 3lo3 s PHE 48 N 0.46 1.59 0.30 3.18 5.36 -1.26 -5.05 117.98 122.56 3lo3 s PHE 48 Ca -0.17 -0.78 0.06 0.00 -0.96 0.00 0.00 56.93 55.08 3lo3 s PHE 48 Cb -0.17 -1.27 0.46 0.00 -0.34 0.00 0.00 43.02 41.70 3lo3 s PHE 48 CO 0.07 -0.50 1.71 1.05 -1.46 0.00 0.00 175.22 176.09 3lo3 h GLU 49 N 7.95 0.29 -6.51 10.12 4.11 -2.01 -3.45 114.58 125.08 3lo3 h GLU 49 Ca -0.31 -0.13 -0.45 0.00 0.07 0.00 0.00 59.36 58.54 3lo3 h GLU 49 Cb 1.14 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 30.40 3lo3 h GLU 49 CO 0.44 0.62 -0.20 -1.01 0.07 0.00 0.00 179.01 178.93 3lo3 s HIS 50 N -4.24 2.22 -0.09 2.06 3.76 -1.26 -4.98 115.29 112.76 3lo3 s HIS 50 Ca -0.05 -0.54 0.18 0.00 -0.15 0.00 0.00 55.06 54.50 3lo3 s HIS 50 Cb 0.13 -2.30 -0.27 0.00 1.11 0.00 0.00 32.58 31.25 3lo3 s HIS 50 CO 0.77 -0.71 0.29 1.63 -0.85 0.00 0.00 174.74 175.87 3lo3 n LYS 51 N -2.00 0.76 -4.31 1.40 5.02 -0.87 -4.92 118.16 113.24 3lo3 n LYS 51 Ca 0.11 -0.11 -0.16 0.00 -2.02 0.00 0.00 58.31 56.12 3lo3 n LYS 51 Cb 0.60 -1.47 -0.10 0.00 -0.02 0.00 0.00 35.03 34.04 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 -3.01 1.69 0.04 7.82 0.00 -0.47 -1.30 121.76 126.54 3lo3 s ALA 52 Ca -0.08 -1.82 0.03 0.00 0.00 0.00 0.00 51.96 50.09 3lo3 s ALA 52 Cb 0.10 0.89 -0.02 0.00 0.00 0.00 0.00 23.12 24.08 3lo3 s ALA 52 CO 0.79 -0.41 -0.08 -0.65 0.00 0.00 0.00 175.76 175.41 3lo3 s GLN 53 N -3.99 0.56 0.05 0.00 -1.52 -0.63 -1.29 119.66 112.85 3lo3 s GLN 53 Ca 0.34 -0.71 0.04 0.00 -1.95 0.00 0.00 55.36 53.08 3lo3 s GLN 53 Cb 0.07 -0.39 -0.03 0.00 -0.22 0.00 0.00 33.01 32.45 3lo3 s GLN 53 CO 0.11 0.08 -0.12 0.08 -0.25 0.00 0.00 175.29 175.20 3lo3 s VAL 54 N -1.21 0.89 -0.15 1.09 1.01 -0.07 -2.38 120.40 119.58 3lo3 s VAL 54 Ca -0.07 -1.14 0.02 0.00 0.00 0.00 0.00 61.98 60.78 3lo3 s VAL 54 Cb -0.09 -0.87 0.02 0.00 0.00 0.00 0.00 36.38 35.43 3lo3 s VAL 54 CO 0.01 -0.23 -0.19 -0.63 0.00 0.00 0.00 175.10 174.05 3lo3 s ILE 55 N -1.21 1.88 -0.12 2.22 1.01 0.10 -0.07 121.20 125.01 3lo3 s ILE 55 Ca -0.04 -0.85 -0.05 0.00 0.00 0.00 0.00 60.65 59.71 3lo3 s ILE 55 Cb -0.09 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 3lo3 s ILE 55 CO 0.01 0.51 0.08 -0.76 0.00 0.00 0.00 174.94 174.78 3lo3 s LEU 56 N 1.07 4.01 -0.06 2.97 1.02 0.29 -0.16 118.68 127.82 3lo3 s LEU 56 Ca -0.02 0.29 0.03 0.00 0.02 0.00 0.00 54.13 54.45 3lo3 s LEU 56 Cb -0.14 -1.96 -0.02 0.00 0.02 0.00 0.00 46.19 44.08 3lo3 s LEU 56 CO -0.06 0.36 -0.15 -0.70 0.02 0.00 0.00 176.35 175.82 3lo3 s GLU 57 N -0.73 2.60 0.04 1.70 2.12 0.92 -0.95 118.70 124.40 3lo3 s GLU 57 Ca 0.12 -0.71 0.00 0.00 0.36 0.00 0.00 54.97 54.74 3lo3 s GLU 57 Cb -0.12 -2.39 -0.03 0.00 0.26 0.00 0.00 34.13 31.86 3lo3 s GLU 57 CO 0.03 0.56 -0.04 -0.06 -0.54 0.00 0.00 175.26 175.20 3lo3 s PHE 58 N -0.56 0.44 0.35 5.30 0.08 -0.85 -1.32 117.98 121.41 3lo3 s PHE 58 Ca 0.08 -0.73 0.09 0.00 0.12 0.00 0.00 56.93 56.50 3lo3 s PHE 58 Cb -0.11 -0.30 0.83 0.00 -0.57 0.00 0.00 43.02 42.86 3lo3 s PHE 58 CO 0.01 -0.24 1.85 -1.35 -0.10 0.00 0.00 175.22 175.39 3lo3 h PRO 59 N 4.04 0.66 -3.72 0.24 0.11 -1.84 -1.83 132.00 129.65 3lo3 h PRO 59 Ca -0.33 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.66 3lo3 h PRO 59 Cb 1.18 -0.15 -0.12 0.00 0.11 0.00 0.00 31.00 32.03 3lo3 h PRO 59 CO 0.51 0.44 -0.23 -1.54 -0.21 0.00 0.00 178.00 176.97 3lo3 s SER 60 N -5.68 -0.04 0.26 -2.05 1.04 -1.26 -3.50 113.70 102.47 3lo3 s SER 60 Ca -0.10 -0.75 -0.03 0.00 0.48 0.00 0.00 55.95 55.55 3lo3 s SER 60 Cb 0.23 0.47 0.32 0.00 0.10 0.00 0.00 66.02 67.14 3lo3 s SER 60 CO 0.79 -0.93 1.79 -0.09 0.98 0.00 0.00 173.24 175.79 3lo3 h ARG 61 N 2.46 0.91 0.59 4.02 2.43 -1.87 -2.68 114.38 120.24 3lo3 h ARG 61 Ca -0.31 -0.20 -0.02 0.00 -0.81 0.00 0.00 59.98 58.64 3lo3 h ARG 61 Cb 1.24 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.65 3lo3 h ARG 61 CO 0.46 0.82 -0.40 0.93 -1.51 0.00 0.00 179.97 180.26 3lo3 h GLU 62 N 0.87 -0.92 -0.20 0.20 5.08 -1.96 -0.91 114.58 116.74 3lo3 h GLU 62 Ca 0.19 0.06 0.05 0.00 -1.00 0.00 0.00 59.36 58.67 3lo3 h GLU 62 Cb 0.32 0.21 -0.06 0.00 0.50 0.00 0.00 28.75 29.72 3lo3 h GLU 62 CO 0.00 -0.61 -0.20 -0.44 -1.00 0.00 0.00 179.01 176.76 3lo3 h ASP 63 N -0.95 -0.63 -0.54 1.42 3.32 -1.88 0.61 116.42 117.76 3lo3 h ASP 63 Ca -0.07 0.12 0.11 0.00 0.02 0.00 0.00 57.03 57.20 3lo3 h ASP 63 Cb 0.79 0.30 -0.11 0.00 0.22 0.00 0.00 39.33 40.54 3lo3 h ASP 63 CO 0.04 -0.24 -0.22 0.00 -1.72 0.00 0.00 179.24 177.11 3lo3 h ALA 64 N 0.85 0.19 0.00 3.45 0.00 -1.41 0.14 119.26 122.48 3lo3 h ALA 64 Ca 0.12 0.19 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 3lo3 h ALA 64 Cb 0.40 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3lo3 h ALA 64 CO -0.33 -0.53 -0.46 -0.92 0.00 0.00 0.00 179.25 177.00 3lo3 h TYR 65 N -0.09 0.00 0.00 0.00 3.20 0.49 -2.34 116.97 118.24 3lo3 h TYR 65 Ca 0.25 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.03 3lo3 h TYR 65 Cb 0.48 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 3lo3 h TYR 65 CO -0.52 0.46 -0.42 -0.91 -1.64 0.00 0.00 178.16 175.13 3lo3 h ASN 66 N 0.00 0.00 -0.32 -2.11 2.35 0.10 -3.12 115.58 112.49 3lo3 h ASN 66 Ca -0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 3lo3 h ASN 66 Cb 0.85 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.21 3lo3 h ASN 66 CO 0.06 0.42 0.02 -0.25 -1.65 0.00 0.00 177.43 176.03 3lo3 h TRP 67 N 0.00 0.59 -0.66 1.19 7.01 -0.20 -1.77 115.95 122.12 3lo3 h TRP 67 Ca -0.00 -0.10 -0.03 0.00 2.11 0.00 0.00 58.89 60.87 3lo3 h TRP 67 Cb 1.21 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 28.08 3lo3 h TRP 67 CO 0.00 0.66 0.31 -0.92 -2.79 0.00 0.00 178.44 175.70 3lo3 h TYR 68 N 0.36 0.96 -0.52 2.65 3.20 -1.45 -2.74 116.97 119.42 3lo3 h TYR 68 Ca 0.09 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 3lo3 h TYR 68 Cb 0.41 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.39 3lo3 h TYR 68 CO 0.03 0.72 0.00 0.72 -1.64 0.00 0.00 178.16 178.00 3lo3 n HIS 69 N -4.46 1.90 -2.15 -3.82 8.25 -1.19 -4.27 115.22 109.48 3lo3 n HIS 69 Ca 0.05 -0.66 -0.32 0.00 -0.26 0.00 0.00 57.72 56.52 3lo3 n HIS 69 Cb 0.14 -0.48 -0.00 0.00 1.12 0.00 0.00 29.99 30.76 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 -0.70 6.05 0.10 0.41 1.04 -0.67 -4.93 113.70 115.00 3lo3 s SER 70 Ca 0.50 1.73 -0.20 0.00 0.48 0.00 0.00 55.95 58.46 3lo3 s SER 70 Cb 0.38 -2.52 -0.08 0.00 0.10 0.00 0.00 66.02 63.90 3lo3 s SER 70 CO 0.14 -0.98 1.67 1.05 0.98 0.00 0.00 173.24 176.11 3lo3 h GLU 71 N 0.56 0.31 -0.88 4.02 9.09 -1.90 -1.14 114.58 124.65 3lo3 h GLU 71 Ca -0.47 -0.05 0.03 0.00 0.05 0.00 0.00 59.36 58.93 3lo3 h GLU 71 Cb 1.21 -0.06 -0.05 0.00 -1.65 0.00 0.00 28.75 28.20 3lo3 h GLU 71 CO 0.59 0.33 0.57 1.05 0.05 0.00 0.00 179.01 181.59 3lo3 h GLU 72 N 0.22 1.08 0.01 1.06 9.09 -1.94 -1.68 114.58 122.43 3lo3 h GLU 72 Ca 0.07 -0.07 -0.26 0.00 0.05 0.00 0.00 59.36 59.16 3lo3 h GLU 72 Cb 0.12 -0.24 0.01 0.00 -1.65 0.00 0.00 28.75 26.99 3lo3 h GLU 72 CO -0.01 0.72 -1.03 -0.92 0.05 0.00 0.00 179.01 177.82 3lo3 h TYR 73 N 1.12 0.88 -0.01 2.06 3.20 -1.80 -3.21 116.97 119.21 3lo3 h TYR 73 Ca 0.35 -0.49 0.00 0.00 3.14 0.00 0.00 58.73 61.73 3lo3 h TYR 73 Cb -0.02 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.16 3lo3 h TYR 73 CO -0.02 1.32 0.01 1.96 -1.64 0.00 0.00 178.16 179.79 3lo3 h GLN 74 N 0.32 0.00 0.00 1.82 1.08 -0.88 -0.38 115.11 117.07 3lo3 h GLN 74 Ca -0.12 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 3lo3 h GLN 74 Cb 1.68 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.11 3lo3 h GLN 74 CO 0.19 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 178.07 3lo3 n ALA 75 N -2.46 1.68 0.89 3.87 0.00 -0.66 -1.86 120.51 121.98 3lo3 n ALA 75 Ca -0.03 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.45 3lo3 n ALA 75 Cb 0.10 -1.22 -0.07 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.41 1.21 -0.03 0.00 4.77 -0.15 -4.46 117.00 116.93 3lo3 n LEU 76 Ca 0.05 -0.58 -0.07 0.00 -0.03 0.00 0.00 56.01 55.37 3lo3 n LEU 76 Cb 0.14 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.33 3lo3 n LEU 76 CO 0.12 0.27 0.64 0.40 -1.33 0.00 0.00 177.39 177.48 3lo3 h ILE 77 N 0.71 1.29 -0.78 -0.08 2.04 -1.43 -0.43 117.51 118.82 3lo3 h ILE 77 Ca 0.00 -1.47 0.07 0.00 1.00 0.00 0.00 64.86 64.46 3lo3 h ILE 77 Cb 0.52 1.42 -0.09 0.00 -0.74 0.00 0.00 36.82 37.93 3lo3 h ILE 77 CO 0.00 0.47 -0.46 -1.20 0.00 0.00 0.00 178.15 176.96 3lo3 n SER 78 N -4.06 -0.83 0.11 1.72 7.64 -1.26 -1.95 113.62 114.98 3lo3 n SER 78 Ca -0.01 1.54 0.12 0.00 1.01 0.00 0.00 58.87 61.53 3lo3 n SER 78 Cb 0.48 -0.25 0.14 0.00 -1.01 0.00 0.00 64.21 63.57 3lo3 n SER 78 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3lo3 h THR 79 N 0.00 0.00 -0.20 0.44 1.03 -1.77 -3.31 112.91 109.10 3lo3 h THR 79 Ca 0.13 -0.74 -0.05 0.00 -0.01 0.00 0.00 66.41 65.73 3lo3 h THR 79 Cb 0.32 1.40 -0.01 0.00 -1.07 0.00 0.00 68.15 68.80 3lo3 h THR 79 CO -0.74 0.00 -0.08 -0.09 -0.01 0.00 0.00 175.52 174.60 3lo3 h ARG 80 N 0.00 0.41 0.00 0.00 2.43 -0.62 -1.97 114.38 114.63 3lo3 h ARG 80 Ca 0.00 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3lo3 h ARG 80 Cb 0.87 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 3lo3 h ARG 80 CO 0.00 0.69 0.00 -0.44 -1.51 0.00 0.00 179.97 178.71 3lo3 h ASP 81 N 0.12 0.00 -0.04 -3.80 3.45 -1.48 -1.49 116.42 113.19 3lo3 h ASP 81 Ca 0.05 0.00 -0.24 0.00 0.43 0.00 0.00 57.03 57.26 3lo3 h ASP 81 Cb 0.56 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.35 3lo3 h ASP 81 CO 0.03 0.00 -0.93 -0.07 -1.57 0.00 0.00 179.24 176.70 3lo3 h LEU 82 N 0.00 0.88 -2.34 1.55 3.38 -1.63 -3.41 115.31 113.74 3lo3 h LEU 82 Ca 0.00 -0.71 -0.01 0.00 0.09 0.00 0.00 57.88 57.25 3lo3 h LEU 82 Cb 0.53 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 3lo3 h LEU 82 CO 0.00 1.47 -0.04 1.23 0.09 0.00 0.00 178.44 181.19 3lo3 h GLY 83 N 0.37 0.00 -5.09 0.83 0.00 -0.47 -2.98 103.07 95.72 3lo3 h GLY 83 Ca -0.11 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.60 3lo3 h GLY 83 CO 0.18 0.00 -0.36 0.99 0.00 0.00 0.00 176.54 177.36 3lo3 s ASP 85 N -5.90 6.55 0.30 0.19 -0.00 -0.51 0.36 116.67 117.65 3lo3 s ASP 85 Ca -0.04 0.64 -0.16 0.00 -0.00 0.00 0.00 52.55 52.99 3lo3 s ASP 85 Cb 0.14 -2.12 0.02 0.00 -0.00 0.00 0.00 42.92 40.95 3lo3 s ASP 85 CO 0.53 0.29 0.64 -0.94 -0.00 0.00 0.00 175.17 175.69 3lo3 s SER 86 N -1.46 -0.06 -0.02 0.27 1.04 -1.26 -0.26 113.70 111.95 3lo3 s SER 86 Ca 0.25 -0.88 -0.04 0.00 0.48 0.00 0.00 55.95 55.76 3lo3 s SER 86 Cb -0.14 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.69 3lo3 s SER 86 CO 0.13 -1.35 0.10 0.00 0.98 0.00 0.00 173.24 173.10 3lo3 s GLN 87 N -3.57 0.25 -0.03 4.02 -2.07 -0.14 -4.96 119.66 113.16 3lo3 s GLN 87 Ca 0.17 -0.10 0.04 0.00 -1.82 0.00 0.00 55.36 53.65 3lo3 s GLN 87 Cb -0.04 0.10 -0.00 0.00 -1.09 0.00 0.00 33.01 31.99 3lo3 s GLN 87 CO 0.10 -0.05 -0.13 -0.06 -1.32 0.00 0.00 175.29 173.83 3lo3 s PHE 88 N -0.53 1.31 -0.06 9.60 2.99 -1.26 -1.45 117.98 128.59 3lo3 s PHE 88 Ca -0.06 -0.33 0.01 0.00 0.00 0.00 0.00 56.93 56.54 3lo3 s PHE 88 Cb -0.04 -0.89 0.02 0.00 0.00 0.00 0.00 43.02 42.11 3lo3 s PHE 88 CO 0.00 -0.11 -0.05 -0.65 -0.00 0.00 0.00 175.22 174.41 3lo3 s GLN 89 N 0.03 0.98 -0.13 0.44 1.11 -0.95 -4.97 119.66 116.17 3lo3 s GLN 89 Ca -0.02 -0.13 -0.16 0.00 0.01 0.00 0.00 55.36 55.06 3lo3 s GLN 89 Cb -0.09 -1.00 -0.04 0.00 -1.01 0.00 0.00 33.01 30.86 3lo3 s GLN 89 CO 0.01 -0.11 0.39 -1.17 0.01 0.00 0.00 175.29 174.42 3lo3 s LEU 90 N 1.08 4.28 -0.11 2.90 2.96 -1.26 -1.86 118.68 126.67 3lo3 s LEU 90 Ca -0.08 0.68 -0.03 0.00 -0.22 0.00 0.00 54.13 54.48 3lo3 s LEU 90 Cb -0.14 -2.54 0.05 0.00 0.50 0.00 0.00 46.19 44.06 3lo3 s LEU 90 CO -0.01 0.07 0.14 -0.63 -1.32 0.00 0.00 176.35 174.60 3lo3 s ILE 91 N 0.43 -0.22 0.00 6.68 1.01 0.47 -5.00 121.20 124.57 3lo3 s ILE 91 Ca 0.21 0.23 0.00 0.00 0.00 0.00 0.00 60.65 61.09 3lo3 s ILE 91 Cb -0.14 -0.36 0.00 0.00 0.01 0.00 0.00 42.46 41.97 3lo3 s ILE 91 CO 0.08 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.67