#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 5.38 -1.18 6.43 4.22 -1.26 -5.07 114.94 123.46 3lo3 s ASN 0 Ca 0.00 -0.40 -0.12 0.00 -2.14 0.00 0.00 52.86 50.20 3lo3 s ASN 0 Cb 0.00 -1.13 0.21 0.00 1.28 0.00 0.00 41.25 41.61 3lo3 s ASN 0 CO 0.00 -0.25 1.37 0.00 -2.04 0.00 0.00 177.10 176.18 3lo3 n ALA 1 N -1.31 4.11 -1.68 3.54 0.00 -1.26 -5.00 120.51 118.90 3lo3 n ALA 1 Ca -0.04 -4.39 -0.42 0.00 0.00 0.00 0.00 53.44 48.58 3lo3 n ALA 1 Cb 0.59 -2.85 -0.03 0.00 0.00 0.00 0.00 19.45 17.16 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 3.85 0.53 -4.00 0.00 -1.04 -1.26 -4.23 114.28 108.13 3lo3 n THR 2 Ca 0.33 -0.09 -0.25 0.00 -2.04 0.00 0.00 64.05 61.99 3lo3 n THR 2 Cb 0.41 -2.19 -0.04 0.00 -1.82 0.00 0.00 70.33 66.69 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 3.43 3.81 -0.02 2.41 0.00 -0.87 -4.81 121.76 125.72 3lo3 s ALA 3 Ca 0.85 -1.14 -0.01 0.00 0.00 0.00 0.00 51.96 51.65 3lo3 s ALA 3 Cb -0.47 -1.61 0.01 0.00 0.00 0.00 0.00 23.12 21.05 3lo3 s ALA 3 CO 0.40 0.47 0.05 0.71 0.00 0.00 0.00 175.76 177.38 3lo3 s TYR 4 N -1.81 -0.04 -0.26 0.00 2.02 -0.94 -0.36 117.35 115.95 3lo3 s TYR 4 Ca 0.33 0.16 -0.03 0.00 -0.37 0.00 0.00 57.07 57.17 3lo3 s TYR 4 Cb -0.10 -0.05 0.03 0.00 -0.40 0.00 0.00 41.96 41.44 3lo3 s TYR 4 CO 0.27 -0.05 -0.02 0.42 -1.57 0.00 0.00 175.55 174.59 3lo3 s ILE 5 N 0.36 3.10 -0.20 2.71 1.01 -0.10 -0.45 121.20 127.64 3lo3 s ILE 5 Ca -0.03 -1.01 -0.15 0.00 0.00 0.00 0.00 60.65 59.46 3lo3 s ILE 5 Cb -0.04 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 3lo3 s ILE 5 CO -0.01 0.13 0.36 -0.63 0.00 0.00 0.00 174.94 174.79 3lo3 s ILE 6 N 1.35 5.23 -0.14 2.92 1.01 0.12 -1.30 121.20 130.39 3lo3 s ILE 6 Ca -0.00 0.63 -0.02 0.00 0.00 0.00 0.00 60.65 61.26 3lo3 s ILE 6 Cb -0.17 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.59 3lo3 s ILE 6 CO -0.03 0.28 -0.09 -0.69 0.00 0.00 0.00 174.94 174.41 3lo3 s VAL 7 N 1.15 3.37 -0.17 2.92 1.01 0.74 -0.22 120.40 129.20 3lo3 s VAL 7 Ca 0.17 -0.55 -0.06 0.00 0.00 0.00 0.00 61.98 61.55 3lo3 s VAL 7 Cb -0.14 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 3lo3 s VAL 7 CO 0.07 0.51 0.02 -0.83 0.00 0.00 0.00 175.10 174.87 3lo3 s GLY 8 N 0.40 1.83 0.03 4.51 0.00 0.81 -1.31 107.32 113.59 3lo3 s GLY 8 Ca -0.08 -0.78 -0.00 0.00 0.00 0.00 0.00 44.72 43.86 3lo3 s GLY 8 CO 0.04 0.02 -0.03 0.48 0.00 0.00 0.00 173.10 173.61 3lo3 s LEU 9 N 0.39 2.33 -0.12 0.66 -0.00 -0.32 -0.21 118.68 121.42 3lo3 s LEU 9 Ca 0.00 -0.68 -0.00 0.00 -0.00 0.00 0.00 54.13 53.45 3lo3 s LEU 9 Cb -0.13 0.11 0.03 0.00 -0.00 0.00 0.00 46.19 46.20 3lo3 s LEU 9 CO 0.01 -0.40 -0.08 0.42 -0.00 0.00 0.00 176.35 176.31 3lo3 s THR 10 N -2.32 1.04 0.63 5.48 -4.23 0.13 -1.01 115.64 115.35 3lo3 s THR 10 Ca -0.07 -0.31 -0.18 0.00 -1.18 0.00 0.00 61.69 59.95 3lo3 s THR 10 Cb -0.04 -1.06 -0.03 0.00 1.34 0.00 0.00 72.50 72.71 3lo3 s THR 10 CO -0.04 0.36 1.09 -2.65 -0.54 0.00 0.00 174.62 172.84 3lo3 n PRO 11 N 4.94 0.97 0.00 3.99 -0.02 -1.26 -2.32 135.00 141.29 3lo3 n PRO 11 Ca -0.12 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 3lo3 n PRO 11 Cb 0.50 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 3lo3 n PRO 11 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3lo3 n LYS 12 N -1.39 0.00 -2.92 -0.52 4.81 -0.66 -4.80 118.16 112.68 3lo3 n LYS 12 Ca 0.15 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.15 3lo3 n LYS 12 Cb 0.48 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.49 3lo3 n LYS 12 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3lo3 s ASP 13 N 1.00 6.19 0.51 3.14 -1.08 -1.18 -4.92 116.67 120.33 3lo3 s ASP 13 Ca 0.00 -1.13 0.37 0.00 -0.52 0.00 0.00 52.55 51.27 3lo3 s ASP 13 Cb 0.00 -2.39 1.53 0.00 -1.46 0.00 0.00 42.92 40.59 3lo3 s ASP 13 CO 0.00 -1.36 1.69 0.00 0.52 0.00 0.00 175.17 176.02 3lo3 h ALA 14 N 9.46 3.15 0.10 3.66 0.00 -1.93 -1.03 119.26 132.67 3lo3 h ALA 14 Ca -0.28 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.44 3lo3 h ALA 14 Cb 1.07 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3lo3 h ALA 14 CO 1.16 -1.63 -0.96 1.49 0.00 0.00 0.00 179.25 179.31 3lo3 h GLU 15 N 0.07 0.21 -0.93 0.00 4.81 -1.95 -2.78 114.58 114.00 3lo3 h GLU 15 Ca 0.74 -0.35 0.01 0.00 -0.13 0.00 0.00 59.36 59.63 3lo3 h GLU 15 Cb 2.70 0.13 -0.05 0.00 0.63 0.00 0.00 28.75 32.17 3lo3 h GLU 15 CO -0.14 1.17 0.61 0.87 -0.73 0.00 0.00 179.01 180.79 3lo3 h LYS 16 N -0.50 1.23 -0.44 1.92 6.56 -1.68 -1.35 116.57 122.32 3lo3 h LYS 16 Ca -0.20 -0.08 0.00 0.00 -1.06 0.00 0.00 60.65 59.31 3lo3 h LYS 16 Cb 1.56 -0.28 -0.02 0.00 -0.57 0.00 0.00 32.23 32.92 3lo3 h LYS 16 CO 0.06 0.82 0.28 1.25 -2.06 0.00 0.00 179.45 179.80 3lo3 h LEU 17 N 1.27 0.52 -1.12 2.94 6.46 -1.32 -0.72 115.31 123.33 3lo3 h LEU 17 Ca 0.34 -0.04 -0.05 0.00 -0.12 0.00 0.00 57.88 58.02 3lo3 h LEU 17 Cb -0.14 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 39.64 3lo3 h LEU 17 CO -0.07 0.40 0.11 -0.61 -0.62 0.00 0.00 178.44 177.65 3lo3 h GLN 18 N 0.59 0.73 -0.04 1.25 4.15 -1.16 0.26 115.11 120.89 3lo3 h GLN 18 Ca 0.16 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.43 3lo3 h GLN 18 Cb -0.03 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.54 3lo3 h GLN 18 CO -0.03 0.67 -0.01 1.96 -1.93 0.00 0.00 178.83 179.48 3lo3 h GLN 19 N 0.70 0.08 -0.64 1.69 4.20 -0.50 -2.68 115.11 117.96 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 0.28 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.02 3lo3 h GLN 19 CO -0.00 0.44 0.34 -0.92 -0.67 0.00 0.00 178.83 178.02 3lo3 h TYR 20 N -0.28 0.90 -0.05 2.96 3.20 -1.05 -2.31 116.97 120.33 3lo3 h TYR 20 Ca 0.01 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.86 3lo3 h TYR 20 Cb 0.42 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 3lo3 h TYR 20 CO 0.06 0.65 0.13 0.78 -1.64 0.00 0.00 178.16 178.14 3lo3 h GLY 21 N 0.88 0.00 0.92 1.82 0.00 -0.84 -2.01 103.07 103.85 3lo3 h GLY 21 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.28 3lo3 h GLY 21 CO -0.03 0.00 -1.69 0.00 0.00 0.00 0.00 176.54 174.82 3lo3 n ALA 22 N -2.12 1.59 1.12 3.60 0.00 -0.88 -4.03 120.51 119.78 3lo3 n ALA 22 Ca -0.02 -0.75 0.13 0.00 0.00 0.00 0.00 53.44 52.80 3lo3 n ALA 22 Cb 0.21 -0.84 0.32 0.00 0.00 0.00 0.00 19.45 19.15 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 -2.99 0.40 -0.02 0.00 1.74 -0.79 -4.44 116.66 110.56 3lo3 n ARG 23 Ca -0.16 -0.23 -0.13 0.00 -0.77 0.00 0.00 57.85 56.56 3lo3 n ARG 23 Cb 1.01 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.86 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 0.56 1.41 -0.60 1.55 2.07 -1.60 -3.32 116.25 116.31 3lo3 h VAL 24 Ca 0.00 -1.30 0.11 0.00 0.82 0.00 0.00 66.70 66.33 3lo3 h VAL 24 Cb 0.50 2.28 -0.12 0.00 -1.52 0.00 0.00 31.29 32.43 3lo3 h VAL 24 CO 0.00 0.33 -0.30 0.00 0.02 0.00 0.00 177.57 177.62 3lo3 h ALA 25 N 0.39 0.05 -0.76 1.67 0.00 -1.80 0.26 119.26 119.07 3lo3 h ALA 25 Ca -0.00 0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.19 3lo3 h ALA 25 Cb 0.56 0.73 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 3lo3 h ALA 25 CO 0.00 -0.62 0.50 0.66 0.00 0.00 0.00 179.25 179.78 3lo3 h SER 26 N -0.13 0.59 0.64 0.00 4.64 -1.85 -1.15 113.55 116.29 3lo3 h SER 26 Ca 0.25 0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.56 3lo3 h SER 26 Cb 0.54 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3lo3 h SER 26 CO -0.68 0.35 -0.13 0.71 -0.87 0.00 0.00 176.83 176.21 3lo3 h THR 27 N 0.66 0.43 0.00 2.95 1.35 -0.59 -2.62 112.91 115.08 3lo3 h THR 27 Ca 0.35 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 3lo3 h THR 27 Cb 0.48 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 3lo3 h THR 27 CO -0.13 0.13 0.00 0.18 -0.25 0.00 0.00 175.52 175.45 3lo3 n LEU 28 N -3.42 0.40 0.07 3.87 4.77 -0.44 -3.88 117.00 118.38 3lo3 n LEU 28 Ca -0.01 0.54 -0.11 0.00 -0.03 0.00 0.00 56.01 56.40 3lo3 n LEU 28 Cb 0.30 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 40.96 3lo3 n LEU 28 CO 0.30 -0.12 0.25 0.00 -1.33 0.00 0.00 177.39 176.49 3lo3 h ALA 29 N 2.72 0.47 0.00 -1.18 0.00 -1.49 0.32 119.26 120.11 3lo3 h ALA 29 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3lo3 h ALA 29 Cb 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3lo3 h ALA 29 CO 0.00 0.82 0.00 1.17 0.00 0.00 0.00 179.25 181.24 3lo3 n LYS 30 N -3.76 0.21 -0.53 0.00 4.81 -1.25 -2.91 118.16 114.72 3lo3 n LYS 30 Ca -0.05 0.42 0.07 0.00 -0.87 0.00 0.00 58.31 57.87 3lo3 n LYS 30 Cb 0.79 -1.88 0.16 0.00 0.02 0.00 0.00 35.03 34.11 3lo3 n LYS 30 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3lo3 n TYR 31 N -2.27 0.00 -3.82 5.64 4.01 -1.14 -4.97 117.16 114.60 3lo3 n TYR 31 Ca 0.02 -1.18 -0.33 0.00 -0.16 0.00 0.00 57.90 56.26 3lo3 n TYR 31 Cb 0.24 -0.20 -0.06 0.00 -0.31 0.00 0.00 39.34 39.01 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 -0.99 -1.36 -4.84 7.72 7.64 -1.10 -4.64 113.62 116.05 3lo3 n SER 32 Ca 0.16 -0.95 -0.32 0.00 1.01 0.00 0.00 58.87 58.76 3lo3 n SER 32 Cb 0.72 -1.22 -0.06 0.00 -1.01 0.00 0.00 64.21 62.65 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 -2.74 2.27 0.07 0.23 0.00 0.11 -4.28 107.32 102.98 3lo3 s GLY 33 Ca 0.63 0.21 -0.08 0.00 0.00 0.00 0.00 44.72 45.48 3lo3 s GLY 33 CO 0.78 0.46 0.17 1.85 0.00 0.00 0.00 173.10 176.37 3lo3 s GLU 34 N -3.37 0.77 -0.19 2.90 2.12 -0.76 -4.63 118.70 115.55 3lo3 s GLU 34 Ca 0.58 -0.88 -0.16 0.00 0.36 0.00 0.00 54.97 54.88 3lo3 s GLU 34 Cb -0.10 0.31 -0.04 0.00 0.26 0.00 0.00 34.13 34.57 3lo3 s GLU 34 CO 0.19 -0.23 0.39 0.08 -0.54 0.00 0.00 175.26 175.16 3lo3 s VAL 35 N -3.45 5.21 -0.14 3.70 1.01 -1.26 -1.57 120.40 123.89 3lo3 s VAL 35 Ca 0.02 0.71 -0.05 0.00 0.00 0.00 0.00 61.98 62.66 3lo3 s VAL 35 Cb 0.03 -3.73 -0.25 0.00 0.00 0.00 0.00 36.38 32.44 3lo3 s VAL 35 CO -0.09 0.27 0.28 -0.11 0.00 0.00 0.00 175.10 175.45 3lo3 n LEU 36 N 4.34 2.67 -3.54 3.92 0.00 -0.13 -4.94 117.00 119.32 3lo3 n LEU 36 Ca -0.09 0.16 -0.14 0.00 0.00 0.00 0.00 56.01 55.94 3lo3 n LEU 36 Cb 0.51 -1.08 -0.05 0.00 0.00 0.00 0.00 43.42 42.80 3lo3 n LEU 36 CO 0.40 0.86 0.59 0.68 0.00 0.00 0.00 177.39 179.93 3lo3 s VAL 37 N -2.55 0.00 -0.00 1.96 -7.23 -1.20 -4.98 120.40 106.40 3lo3 s VAL 37 Ca -0.24 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 59.93 3lo3 s VAL 37 Cb 0.07 -1.00 0.00 0.00 0.56 0.00 0.00 36.38 36.01 3lo3 s VAL 37 CO 0.75 0.00 -0.00 -1.59 -0.31 0.00 0.00 175.10 173.94 3lo3 s LYS 38 N -1.45 0.05 -0.24 4.82 -2.85 -1.26 -0.43 119.74 118.38 3lo3 s LYS 38 Ca -0.05 0.01 -0.28 0.00 -1.00 0.00 0.00 55.97 54.64 3lo3 s LYS 38 Cb -0.00 -0.09 0.15 0.00 -2.06 0.00 0.00 37.83 35.83 3lo3 s LYS 38 CO 0.04 -0.01 1.17 0.20 0.10 0.00 0.00 175.35 176.84 3lo3 s GLY 39 N 0.16 -0.05 0.49 0.59 0.00 -0.61 -5.01 107.32 102.88 3lo3 s GLY 39 Ca -0.01 2.59 -0.23 0.00 0.00 0.00 0.00 44.72 47.07 3lo3 s GLY 39 CO -0.00 1.33 1.25 -0.56 0.00 0.00 0.00 173.10 175.12 3lo3 s SER 40 N -0.67 5.85 -0.13 1.64 0.01 -1.26 -1.04 113.70 118.10 3lo3 s SER 40 Ca 0.03 2.52 -0.16 0.00 1.31 0.00 0.00 55.95 59.64 3lo3 s SER 40 Cb -0.02 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.55 3lo3 s SER 40 CO -0.05 -1.15 0.41 -0.69 0.41 0.00 0.00 173.24 172.17 3lo3 s VAL 41 N -1.42 5.22 -0.01 3.43 1.01 0.12 -4.87 120.40 123.88 3lo3 s VAL 41 Ca 0.66 0.81 -0.08 0.00 0.00 0.00 0.00 61.98 63.36 3lo3 s VAL 41 Cb -0.34 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 3lo3 s VAL 41 CO 0.41 0.36 0.27 -0.70 0.00 0.00 0.00 175.10 175.44 3lo3 s GLU 42 N 0.48 3.61 -0.41 2.72 2.12 -1.26 -4.94 118.70 121.03 3lo3 s GLU 42 Ca 0.23 -0.00 -0.15 0.00 0.36 0.00 0.00 54.97 55.40 3lo3 s GLU 42 Cb -0.14 -3.11 0.02 0.00 0.26 0.00 0.00 34.13 31.15 3lo3 s GLU 42 CO 0.08 0.67 0.33 -1.14 -0.54 0.00 0.00 175.26 174.67 3lo3 s GLN 43 N -1.55 3.05 0.11 4.30 2.00 -1.26 -4.92 119.66 121.39 3lo3 s GLN 43 Ca 0.25 -0.91 0.11 0.00 -2.00 0.00 0.00 55.36 52.81 3lo3 s GLN 43 Cb -0.13 -3.96 -0.15 0.00 0.80 0.00 0.00 33.01 29.56 3lo3 s GLN 43 CO 0.14 -0.75 1.14 -0.07 -0.50 0.00 0.00 175.29 175.24 3lo3 h LEU 44 N 8.74 0.00 -7.00 3.68 3.38 -2.03 -3.48 115.31 118.59 3lo3 h LEU 44 Ca -0.27 0.00 0.11 0.00 0.09 0.00 0.00 57.88 57.80 3lo3 h LEU 44 Cb 1.12 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.65 3lo3 h LEU 44 CO 0.74 0.85 0.58 -2.28 0.09 0.00 0.00 178.44 178.42 3lo3 s HIS 45 N -2.76 -0.33 0.00 1.13 5.04 -1.26 -5.16 115.29 111.94 3lo3 s HIS 45 Ca 0.00 0.50 0.00 0.00 -1.54 0.00 0.00 55.06 54.02 3lo3 s HIS 45 Cb 0.09 0.47 0.00 0.00 0.04 0.00 0.00 32.58 33.18 3lo3 s HIS 45 CO 0.80 -0.35 0.00 0.41 -2.34 0.00 0.00 174.74 173.26 3lo3 n GLY 46 N 0.50 -2.12 3.57 1.59 0.00 -1.26 -4.89 105.19 102.58 3lo3 n GLY 46 Ca -0.09 -1.44 -0.34 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.08 2.72 -0.18 1.61 1.02 -1.26 -5.07 119.74 118.49 3lo3 s LYS 47 Ca 0.00 -0.57 -0.05 0.00 0.02 0.00 0.00 55.97 55.38 3lo3 s LYS 47 Cb 0.00 -2.56 0.09 0.00 -0.52 0.00 0.00 37.83 34.84 3lo3 s LYS 47 CO 0.00 0.66 0.31 0.12 -0.92 0.00 0.00 175.35 175.52 3lo3 s PHE 48 N -0.80 -0.57 -2.01 3.18 5.36 -1.26 -5.05 117.98 116.82 3lo3 s PHE 48 Ca 0.12 0.91 0.18 0.00 -0.96 0.00 0.00 56.93 57.18 3lo3 s PHE 48 Cb -0.11 -0.02 1.02 0.00 -0.34 0.00 0.00 43.02 43.58 3lo3 s PHE 48 CO 0.01 -0.51 1.66 0.39 -1.46 0.00 0.00 175.22 175.31 3lo3 n GLU 49 N 5.36 1.04 -4.65 10.12 4.71 -1.26 -4.84 120.64 131.12 3lo3 n GLU 49 Ca -0.06 -0.06 -0.31 0.00 -0.01 0.00 0.00 57.16 56.72 3lo3 n GLU 49 Cb 0.50 -1.28 -0.08 0.00 -1.01 0.00 0.00 31.44 29.57 3lo3 n GLU 49 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 3lo3 s HIS 50 N -1.99 2.02 -0.03 -0.32 3.76 -1.26 -4.92 115.29 112.55 3lo3 s HIS 50 Ca 0.26 -0.87 0.13 0.00 -0.15 0.00 0.00 55.06 54.43 3lo3 s HIS 50 Cb 0.12 -1.68 -0.20 0.00 1.11 0.00 0.00 32.58 31.92 3lo3 s HIS 50 CO 0.20 0.23 0.30 1.63 -0.85 0.00 0.00 174.74 176.25 3lo3 n LYS 51 N -1.24 0.45 -3.93 1.40 5.02 -0.18 -4.91 118.16 114.78 3lo3 n LYS 51 Ca -0.14 -0.12 -0.09 0.00 -2.02 0.00 0.00 58.31 55.94 3lo3 n LYS 51 Cb 0.67 -1.31 -0.07 0.00 -0.02 0.00 0.00 35.03 34.29 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 -2.90 -0.02 0.04 7.82 0.00 -0.68 0.13 121.76 126.14 3lo3 s ALA 52 Ca -0.05 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.13 3lo3 s ALA 52 Cb 0.09 0.67 -0.02 0.00 0.00 0.00 0.00 23.12 23.85 3lo3 s ALA 52 CO 0.55 -0.56 -0.10 -0.65 0.00 0.00 0.00 175.76 174.99 3lo3 s GLN 53 N -3.92 0.69 -0.00 0.00 -1.52 -0.21 -1.17 119.66 113.52 3lo3 s GLN 53 Ca 0.12 -0.68 0.03 0.00 -1.95 0.00 0.00 55.36 52.88 3lo3 s GLN 53 Cb 0.04 -0.61 -0.01 0.00 -0.22 0.00 0.00 33.01 32.22 3lo3 s GLN 53 CO -0.05 0.14 -0.11 0.08 -0.25 0.00 0.00 175.29 175.10 3lo3 s VAL 54 N -0.97 0.88 -0.18 1.09 1.01 -0.43 -1.58 120.40 120.23 3lo3 s VAL 54 Ca -0.03 -0.53 -0.00 0.00 0.00 0.00 0.00 61.98 61.42 3lo3 s VAL 54 Cb -0.08 -0.75 0.01 0.00 0.00 0.00 0.00 36.38 35.56 3lo3 s VAL 54 CO 0.01 0.21 -0.15 -0.63 0.00 0.00 0.00 175.10 174.54 3lo3 s ILE 55 N -0.33 2.54 -0.13 2.22 1.01 0.43 -0.18 121.20 126.76 3lo3 s ILE 55 Ca 0.04 -0.79 -0.07 0.00 0.00 0.00 0.00 60.65 59.83 3lo3 s ILE 55 Cb -0.05 -2.09 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 3lo3 s ILE 55 CO -0.00 0.51 0.13 -0.76 0.00 0.00 0.00 174.94 174.82 3lo3 s LEU 56 N 1.18 4.34 -0.11 2.97 1.02 -0.42 -0.96 118.68 126.71 3lo3 s LEU 56 Ca 0.02 0.44 0.02 0.00 0.02 0.00 0.00 54.13 54.62 3lo3 s LEU 56 Cb -0.14 -2.06 -0.01 0.00 0.02 0.00 0.00 46.19 44.00 3lo3 s LEU 56 CO -0.06 0.39 -0.17 -0.70 0.02 0.00 0.00 176.35 175.82 3lo3 s GLU 57 N -0.91 3.14 0.21 1.70 2.12 -0.61 -0.92 118.70 123.43 3lo3 s GLU 57 Ca 0.14 -0.76 0.09 0.00 0.36 0.00 0.00 54.97 54.80 3lo3 s GLU 57 Cb -0.12 -2.47 -0.05 0.00 0.26 0.00 0.00 34.13 31.75 3lo3 s GLU 57 CO 0.03 0.25 -0.16 -0.06 -0.54 0.00 0.00 175.26 174.79 3lo3 s PHE 58 N 0.21 1.82 -0.45 5.30 0.08 0.51 -1.82 117.98 123.63 3lo3 s PHE 58 Ca -0.11 -0.52 0.26 0.00 0.12 0.00 0.00 56.93 56.68 3lo3 s PHE 58 Cb -0.16 -0.84 0.94 0.00 -0.57 0.00 0.00 43.02 42.39 3lo3 s PHE 58 CO 0.06 0.42 1.77 -1.00 -0.10 0.00 0.00 175.22 176.37 3lo3 h PRO 59 N 2.59 0.00 -2.64 0.24 0.14 -1.83 -2.30 132.00 128.20 3lo3 h PRO 59 Ca -0.39 0.00 -0.01 0.00 0.14 0.00 0.00 66.00 65.74 3lo3 h PRO 59 Cb 1.23 0.00 -0.14 0.00 0.14 0.00 0.00 31.00 32.22 3lo3 h PRO 59 CO 0.60 0.00 0.25 -1.54 0.14 0.00 0.00 178.00 177.45 3lo3 s SER 60 N -4.77 -0.56 0.25 1.44 1.04 -1.26 -4.18 113.70 105.65 3lo3 s SER 60 Ca 0.06 0.18 -0.03 0.00 0.48 0.00 0.00 55.95 56.64 3lo3 s SER 60 Cb 0.10 0.55 0.43 0.00 0.10 0.00 0.00 66.02 67.20 3lo3 s SER 60 CO 0.50 -0.83 1.80 -0.09 0.98 0.00 0.00 173.24 175.61 3lo3 h ARG 61 N 2.26 0.75 -0.23 4.02 2.43 -1.81 -2.22 114.38 119.58 3lo3 h ARG 61 Ca -0.31 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.82 3lo3 h ARG 61 Cb 1.26 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.63 3lo3 h ARG 61 CO 0.37 0.50 0.15 0.93 -1.51 0.00 0.00 179.97 180.41 3lo3 h GLU 62 N 0.77 0.29 -0.21 0.20 3.07 -1.96 0.14 114.58 116.89 3lo3 h GLU 62 Ca 0.42 -0.02 0.02 0.00 -0.50 0.00 0.00 59.36 59.28 3lo3 h GLU 62 Cb 0.43 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.25 3lo3 h GLU 62 CO -0.27 0.19 0.05 -0.44 -1.40 0.00 0.00 179.01 177.15 3lo3 h ASP 63 N 0.30 0.04 0.45 1.42 3.32 -1.83 0.31 116.42 120.44 3lo3 h ASP 63 Ca 0.08 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 3lo3 h ASP 63 Cb -0.03 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 3lo3 h ASP 63 CO -0.02 0.05 -0.46 0.00 -1.72 0.00 0.00 179.24 177.09 3lo3 h ALA 64 N 1.14 -1.02 -1.00 3.45 0.00 -1.11 0.29 119.26 121.01 3lo3 h ALA 64 Ca 0.09 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.94 3lo3 h ALA 64 Cb 0.08 0.67 -0.08 0.00 0.00 0.00 0.00 17.79 18.45 3lo3 h ALA 64 CO -0.11 -1.12 0.63 -0.92 0.00 0.00 0.00 179.25 177.74 3lo3 h TYR 65 N -0.93 1.14 -0.11 0.00 3.20 -0.58 -2.47 116.97 117.22 3lo3 h TYR 65 Ca -0.05 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.66 3lo3 h TYR 65 Cb 0.82 -0.36 0.01 0.00 1.54 0.00 0.00 36.73 38.73 3lo3 h TYR 65 CO -0.24 0.48 -0.68 -0.91 -1.64 0.00 0.00 178.16 175.17 3lo3 h ASN 66 N 1.02 0.79 -0.18 -2.11 2.35 -0.02 -2.82 115.58 114.61 3lo3 h ASN 66 Ca 0.48 -0.65 0.05 0.00 -0.55 0.00 0.00 56.30 55.63 3lo3 h ASN 66 Cb 0.43 -0.24 -0.07 0.00 0.05 0.00 0.00 38.32 38.50 3lo3 h ASN 66 CO -0.24 1.32 -0.33 -0.25 -1.65 0.00 0.00 177.43 176.27 3lo3 h TRP 67 N 0.32 -0.93 -0.50 1.19 7.01 -0.12 0.29 115.95 123.21 3lo3 h TRP 67 Ca -0.05 0.04 0.14 0.00 2.11 0.00 0.00 58.89 61.13 3lo3 h TRP 67 Cb 1.32 0.43 -0.02 0.00 -2.10 0.00 0.00 29.16 28.80 3lo3 h TRP 67 CO 0.10 -0.40 0.36 -0.92 -2.79 0.00 0.00 178.44 174.79 3lo3 h TYR 68 N -0.38 0.00 -0.44 2.65 3.20 -1.40 -0.47 116.97 120.13 3lo3 h TYR 68 Ca 0.11 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.98 3lo3 h TYR 68 Cb 0.55 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.82 3lo3 h TYR 68 CO -0.44 0.00 0.00 0.72 -1.64 0.00 0.00 178.16 176.80 3lo3 n HIS 69 N -4.39 0.94 -2.18 -3.82 8.25 -0.45 -4.50 115.22 109.07 3lo3 n HIS 69 Ca 0.09 -0.63 -0.36 0.00 -0.26 0.00 0.00 57.72 56.56 3lo3 n HIS 69 Cb 0.58 -0.17 0.01 0.00 1.12 0.00 0.00 29.99 31.52 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 -1.21 5.74 0.18 0.41 1.04 0.89 -4.91 113.70 115.82 3lo3 s SER 70 Ca 0.38 2.30 -0.18 0.00 0.48 0.00 0.00 55.95 58.93 3lo3 s SER 70 Cb 0.25 -2.60 0.12 0.00 0.10 0.00 0.00 66.02 63.89 3lo3 s SER 70 CO 0.18 -1.22 1.63 -0.33 0.98 0.00 0.00 173.24 174.48 3lo3 h GLU 71 N 1.44 -0.11 -0.06 4.02 5.08 -1.89 -2.05 114.58 121.00 3lo3 h GLU 71 Ca -0.50 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 57.89 3lo3 h GLU 71 Cb 1.27 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.50 3lo3 h GLU 71 CO 0.58 -0.07 -0.38 0.93 -1.00 0.00 0.00 179.01 179.06 3lo3 h GLU 72 N -0.12 -0.42 -0.82 2.33 3.07 -1.92 -2.68 114.58 114.03 3lo3 h GLU 72 Ca 0.21 0.03 0.02 0.00 -0.50 0.00 0.00 59.36 59.12 3lo3 h GLU 72 Cb 0.45 0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.41 3lo3 h GLU 72 CO -0.52 -0.28 0.53 -0.92 -1.40 0.00 0.00 179.01 176.42 3lo3 h TYR 73 N -0.44 1.01 -0.16 4.33 3.20 -1.78 -2.85 116.97 120.28 3lo3 h TYR 73 Ca 0.02 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.96 3lo3 h TYR 73 Cb 0.49 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 3lo3 h TYR 73 CO -0.52 0.62 0.16 1.96 -1.64 0.00 0.00 178.16 178.74 3lo3 h GLN 74 N 1.07 0.00 0.00 1.82 1.08 -1.03 0.09 115.11 118.14 3lo3 h GLN 74 Ca 0.31 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.41 3lo3 h GLN 74 Cb -0.08 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 3lo3 h GLN 74 CO -0.08 0.00 -0.48 0.00 -0.95 0.00 0.00 178.83 177.31 3lo3 h ALA 75 N 1.84 0.95 0.00 3.87 0.00 -1.34 -2.55 119.26 122.03 3lo3 h ALA 75 Ca 0.08 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3lo3 h ALA 75 Cb 0.39 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3lo3 h ALA 75 CO -0.00 0.60 0.00 1.28 0.00 0.00 0.00 179.25 181.13 3lo3 n LEU 76 N -3.61 0.00 -0.04 0.00 4.77 0.01 -4.05 117.00 114.09 3lo3 n LEU 76 Ca -0.00 0.42 -0.13 0.00 -0.03 0.00 0.00 56.01 56.26 3lo3 n LEU 76 Cb 0.57 -0.42 -0.11 0.00 -2.33 0.00 0.00 43.42 41.13 3lo3 n LEU 76 CO 0.39 -0.11 0.53 0.40 -1.33 0.00 0.00 177.39 177.27 3lo3 h ILE 77 N 0.00 1.56 -0.90 -0.08 2.04 -1.45 0.13 117.51 118.81 3lo3 h ILE 77 Ca 0.00 -1.66 0.13 0.00 1.00 0.00 0.00 64.86 64.34 3lo3 h ILE 77 Cb 0.31 2.68 -0.14 0.00 -0.74 0.00 0.00 36.82 38.93 3lo3 h ILE 77 CO 0.00 0.43 -0.37 -1.54 0.00 0.00 0.00 178.15 176.67 3lo3 n SER 78 N -4.74 -0.62 0.12 1.72 3.41 -1.26 -0.55 113.62 111.70 3lo3 n SER 78 Ca -0.09 1.57 -0.02 0.00 -0.26 0.00 0.00 58.87 60.07 3lo3 n SER 78 Cb 0.35 -0.35 0.07 0.00 -0.26 0.00 0.00 64.21 64.03 3lo3 n SER 78 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3lo3 h THR 79 N 0.00 1.39 -0.15 6.66 1.03 -1.76 -3.23 112.91 116.84 3lo3 h THR 79 Ca 0.30 -2.52 0.00 0.00 -0.01 0.00 0.00 66.41 64.18 3lo3 h THR 79 Cb 0.52 2.40 -0.01 0.00 -1.07 0.00 0.00 68.15 70.00 3lo3 h THR 79 CO -0.89 0.69 0.10 -0.09 -0.01 0.00 0.00 175.52 175.32 3lo3 h ARG 80 N 0.00 0.19 -0.61 0.00 2.43 0.18 -1.41 114.38 115.17 3lo3 h ARG 80 Ca -0.01 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3lo3 h ARG 80 Cb 1.35 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.82 3lo3 h ARG 80 CO 0.09 0.13 0.41 -0.44 -1.51 0.00 0.00 179.97 178.64 3lo3 h ASP 81 N 0.20 0.67 -0.40 -3.80 5.19 -1.03 0.12 116.42 117.37 3lo3 h ASP 81 Ca 0.06 -0.01 -0.14 0.00 -0.62 0.00 0.00 57.03 56.31 3lo3 h ASP 81 Cb -0.02 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.32 3lo3 h ASP 81 CO -0.02 0.48 -0.27 -0.07 -3.12 0.00 0.00 179.24 176.24 3lo3 h LEU 82 N 0.79 0.96 -2.11 1.55 3.38 -1.59 -3.40 115.31 114.89 3lo3 h LEU 82 Ca 0.23 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3lo3 h LEU 82 Cb -0.03 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.45 3lo3 h LEU 82 CO -0.06 1.17 0.00 1.23 0.09 0.00 0.00 178.44 180.87 3lo3 h GLY 83 N 0.87 0.00 -5.24 0.83 0.00 0.40 -3.22 103.07 96.71 3lo3 h GLY 83 Ca 0.09 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.85 3lo3 h GLY 83 CO 0.07 0.00 0.08 0.99 0.00 0.00 0.00 176.54 177.68 3lo3 s ASP 85 N -4.86 6.90 0.24 0.19 -0.00 -0.98 -1.65 116.67 116.51 3lo3 s ASP 85 Ca -0.02 1.09 -0.02 0.00 -0.00 0.00 0.00 52.55 53.59 3lo3 s ASP 85 Cb 0.10 -2.39 -0.03 0.00 -0.00 0.00 0.00 42.92 40.60 3lo3 s ASP 85 CO 0.37 -0.14 0.24 -0.94 -0.00 0.00 0.00 175.17 174.71 3lo3 s SER 86 N 0.85 0.40 -0.02 0.27 1.04 -1.26 -0.70 113.70 114.28 3lo3 s SER 86 Ca 0.35 -1.37 0.00 0.00 0.48 0.00 0.00 55.95 55.41 3lo3 s SER 86 Cb -0.17 0.47 0.02 0.00 0.10 0.00 0.00 66.02 66.44 3lo3 s SER 86 CO 0.16 -0.96 0.02 0.00 0.98 0.00 0.00 173.24 173.43 3lo3 s GLN 87 N -3.94 -0.01 -0.16 4.02 -2.07 0.71 -4.97 119.66 113.25 3lo3 s GLN 87 Ca 0.36 0.15 -0.01 0.00 -1.82 0.00 0.00 55.36 54.04 3lo3 s GLN 87 Cb 0.04 -0.22 -0.01 0.00 -1.09 0.00 0.00 33.01 31.73 3lo3 s GLN 87 CO 0.14 -0.14 -0.12 -0.06 -1.32 0.00 0.00 175.29 173.80 3lo3 s PHE 88 N 0.90 2.84 -0.14 9.60 2.99 -1.26 -0.14 117.98 132.77 3lo3 s PHE 88 Ca -0.08 -0.82 0.02 0.00 0.00 0.00 0.00 56.93 56.06 3lo3 s PHE 88 Cb -0.11 -1.92 0.01 0.00 0.00 0.00 0.00 43.02 41.00 3lo3 s PHE 88 CO -0.02 -0.36 -0.20 -0.65 -0.00 0.00 0.00 175.22 173.99 3lo3 s GLN 89 N 0.73 3.07 0.01 0.44 1.11 0.69 -4.95 119.66 120.76 3lo3 s GLN 89 Ca -0.05 -0.83 -0.20 0.00 0.01 0.00 0.00 55.36 54.29 3lo3 s GLN 89 Cb -0.15 -2.48 -0.06 0.00 -1.01 0.00 0.00 33.01 29.31 3lo3 s GLN 89 CO 0.02 -0.00 0.56 -1.17 0.01 0.00 0.00 175.29 174.71 3lo3 s LEU 90 N 0.81 4.44 0.06 2.90 2.96 -1.26 0.13 118.68 128.72 3lo3 s LEU 90 Ca -0.07 1.15 0.01 0.00 -0.22 0.00 0.00 54.13 55.00 3lo3 s LEU 90 Cb -0.15 -2.87 -0.03 0.00 0.50 0.00 0.00 46.19 43.63 3lo3 s LEU 90 CO -0.01 0.16 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.48 3lo3 s ILE 91 N -0.46 0.48 0.00 6.68 1.09 0.41 -4.98 121.20 124.42 3lo3 s ILE 91 Ca 0.29 -1.38 0.00 0.00 -1.10 0.00 0.00 60.65 58.47 3lo3 s ILE 91 Cb -0.18 -0.96 0.00 0.00 -1.06 0.00 0.00 42.46 40.26 3lo3 s ILE 91 CO 0.17 -0.61 0.00 0.61 -0.10 0.00 0.00 174.94 175.01