#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 4.22 -1.11 6.43 2.47 -1.26 -5.06 114.94 120.64 3lo3 s ASN 0 Ca 0.00 -0.78 -0.05 0.00 0.42 0.00 0.00 52.86 52.46 3lo3 s ASN 0 Cb 0.00 -0.66 0.29 0.00 -1.45 0.00 0.00 41.25 39.43 3lo3 s ASN 0 CO 0.00 0.01 1.57 0.00 -3.72 0.00 0.00 177.10 174.96 3lo3 n ALA 1 N -0.80 5.29 -1.90 1.71 0.00 -1.26 -5.02 120.51 118.52 3lo3 n ALA 1 Ca -0.06 -4.73 -0.42 0.00 0.00 0.00 0.00 53.44 48.24 3lo3 n ALA 1 Cb 0.59 -2.43 -0.03 0.00 0.00 0.00 0.00 19.45 17.59 3lo3 n ALA 1 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3lo3 s THR 2 N -2.47 2.64 0.58 0.00 -4.23 -1.26 -4.12 115.64 106.78 3lo3 s THR 2 Ca 0.33 0.51 0.08 0.00 -1.18 0.00 0.00 61.69 61.42 3lo3 s THR 2 Cb 0.07 -3.32 0.08 0.00 1.34 0.00 0.00 72.50 70.66 3lo3 s THR 2 CO 0.08 0.07 0.79 0.00 -0.54 0.00 0.00 174.62 175.02 3lo3 s ALA 3 N 0.43 4.52 -0.20 3.99 0.00 0.06 -4.86 121.76 125.69 3lo3 s ALA 3 Ca 0.63 -2.01 -0.13 0.00 0.00 0.00 0.00 51.96 50.46 3lo3 s ALA 3 Cb -0.43 -1.58 0.06 0.00 0.00 0.00 0.00 23.12 21.18 3lo3 s ALA 3 CO 0.39 -0.88 0.51 0.71 0.00 0.00 0.00 175.76 176.49 3lo3 s TYR 4 N -2.70 -0.72 -0.22 0.00 2.02 -0.30 -2.10 117.35 113.33 3lo3 s TYR 4 Ca 0.62 1.54 -0.07 0.00 -0.37 0.00 0.00 57.07 58.79 3lo3 s TYR 4 Cb -0.06 0.35 -0.03 0.00 -0.40 0.00 0.00 41.96 41.82 3lo3 s TYR 4 CO 0.39 -0.38 0.06 0.42 -1.57 0.00 0.00 175.55 174.47 3lo3 s ILE 5 N 1.24 4.45 -0.17 2.71 1.01 0.53 -1.20 121.20 129.78 3lo3 s ILE 5 Ca -0.08 -0.14 -0.08 0.00 0.00 0.00 0.00 60.65 60.35 3lo3 s ILE 5 Cb -0.07 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 3lo3 s ILE 5 CO -0.12 0.39 0.10 -0.63 0.00 0.00 0.00 174.94 174.69 3lo3 s ILE 6 N 1.06 5.17 -0.12 2.92 1.01 -0.49 0.20 121.20 130.95 3lo3 s ILE 6 Ca 0.04 0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.81 3lo3 s ILE 6 Cb -0.14 -3.31 -0.00 0.00 0.01 0.00 0.00 42.46 39.01 3lo3 s ILE 6 CO 0.03 0.50 -0.20 -0.69 0.00 0.00 0.00 174.94 174.58 3lo3 s VAL 7 N -0.07 2.33 -0.17 2.92 1.01 -0.00 -1.24 120.40 125.18 3lo3 s VAL 7 Ca 0.09 -0.91 -0.05 0.00 0.00 0.00 0.00 61.98 61.11 3lo3 s VAL 7 Cb -0.12 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 3lo3 s VAL 7 CO 0.00 0.54 -0.00 -0.83 0.00 0.00 0.00 175.10 174.82 3lo3 s GLY 8 N 0.55 1.77 0.04 4.51 0.00 -0.49 -1.20 107.32 112.50 3lo3 s GLY 8 Ca -0.12 -0.85 -0.01 0.00 0.00 0.00 0.00 44.72 43.74 3lo3 s GLY 8 CO 0.04 0.05 -0.02 0.48 0.00 0.00 0.00 173.10 173.65 3lo3 s LEU 9 N 0.54 2.35 -0.11 0.66 -0.00 0.11 -0.73 118.68 121.51 3lo3 s LEU 9 Ca -0.01 -0.79 -0.02 0.00 -0.00 0.00 0.00 54.13 53.30 3lo3 s LEU 9 Cb -0.14 0.20 0.04 0.00 -0.00 0.00 0.00 46.19 46.29 3lo3 s LEU 9 CO 0.02 -0.49 0.03 -0.89 -0.00 0.00 0.00 176.35 175.02 3lo3 s THR 10 N -2.98 0.28 0.56 5.48 2.01 0.14 -1.19 115.64 119.93 3lo3 s THR 10 Ca -0.02 -0.03 -0.21 0.00 0.31 0.00 0.00 61.69 61.74 3lo3 s THR 10 Cb 0.01 -0.60 -0.04 0.00 0.01 0.00 0.00 72.50 71.88 3lo3 s THR 10 CO -0.07 0.07 1.36 -2.84 -0.69 0.00 0.00 174.62 172.45 3lo3 s PRO 11 N 2.00 3.06 0.00 4.92 0.02 -1.26 -0.49 135.00 143.24 3lo3 s PRO 11 Ca 0.03 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.29 3lo3 s PRO 11 Cb -0.14 -2.21 0.00 0.00 0.02 0.00 0.00 34.50 32.17 3lo3 s PRO 11 CO -0.06 -1.25 0.00 1.63 -0.33 0.00 0.00 177.00 176.99 3lo3 n LYS 12 N -1.14 0.00 -2.36 5.54 5.02 0.19 -4.74 118.16 120.68 3lo3 n LYS 12 Ca 0.11 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.98 3lo3 n LYS 12 Cb 0.45 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.44 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 0.74 6.21 0.42 4.39 -1.08 -1.10 -4.91 116.67 121.34 3lo3 s ASP 13 Ca 0.00 0.57 0.16 0.00 -0.52 0.00 0.00 52.55 52.77 3lo3 s ASP 13 Cb 0.00 -2.54 1.05 0.00 -1.46 0.00 0.00 42.92 39.97 3lo3 s ASP 13 CO 0.00 -1.58 1.89 0.00 0.52 0.00 0.00 175.17 175.99 3lo3 h ALA 14 N 10.99 2.14 -0.03 3.66 0.00 -1.91 -0.97 119.26 133.13 3lo3 h ALA 14 Ca -0.27 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.49 3lo3 h ALA 14 Cb 1.10 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.85 3lo3 h ALA 14 CO 1.13 -0.39 -0.61 1.49 0.00 0.00 0.00 179.25 180.87 3lo3 h GLU 15 N 0.43 0.47 -0.50 0.00 4.81 -1.94 -0.95 114.58 116.90 3lo3 h GLU 15 Ca 0.42 -0.46 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 3lo3 h GLU 15 Cb 1.00 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 3lo3 h GLU 15 CO -0.15 1.11 0.05 0.87 -0.73 0.00 0.00 179.01 180.15 3lo3 h LYS 16 N 0.01 0.80 -0.71 1.92 6.56 -1.76 -1.10 116.57 122.30 3lo3 h LYS 16 Ca -0.07 -0.19 0.03 0.00 -1.06 0.00 0.00 60.65 59.36 3lo3 h LYS 16 Cb 1.30 -0.10 -0.04 0.00 -0.57 0.00 0.00 32.23 32.81 3lo3 h LYS 16 CO 0.12 0.77 0.47 1.25 -2.06 0.00 0.00 179.45 180.00 3lo3 h LEU 17 N 0.75 0.73 -0.07 2.94 6.46 -0.88 0.22 115.31 125.47 3lo3 h LEU 17 Ca 0.15 -0.01 -0.22 0.00 -0.12 0.00 0.00 57.88 57.69 3lo3 h LEU 17 Cb 0.39 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.14 3lo3 h LEU 17 CO 0.01 0.50 -1.00 -0.61 -0.62 0.00 0.00 178.44 176.72 3lo3 h GLN 18 N 0.85 0.09 -0.05 1.25 4.15 -0.58 -0.56 115.11 120.25 3lo3 h GLN 18 Ca 0.28 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 59.56 3lo3 h GLN 18 Cb 0.07 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 27.80 3lo3 h GLN 18 CO -0.08 1.01 -0.03 1.96 -1.93 0.00 0.00 178.83 179.76 3lo3 h GLN 19 N 0.03 0.10 0.23 1.69 4.20 -0.52 -1.76 115.11 119.08 3lo3 h GLN 19 Ca -0.04 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.63 3lo3 h GLN 19 Cb 1.72 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.47 3lo3 h GLN 19 CO 0.14 0.52 -0.33 -0.92 -0.67 0.00 0.00 178.83 177.57 3lo3 h TYR 20 N -0.31 -0.91 -0.99 2.96 3.20 -1.01 -2.94 116.97 116.96 3lo3 h TYR 20 Ca 0.01 0.01 0.21 0.00 3.14 0.00 0.00 58.73 62.10 3lo3 h TYR 20 Cb 0.49 0.37 -0.10 0.00 1.54 0.00 0.00 36.73 39.04 3lo3 h TYR 20 CO 0.08 -0.46 0.62 0.78 -1.64 0.00 0.00 178.16 177.54 3lo3 h GLY 21 N -0.63 1.46 2.00 1.82 0.00 -1.05 -0.39 103.07 106.28 3lo3 h GLY 21 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.05 3lo3 h GLY 21 CO -0.13 -0.07 0.00 0.00 0.00 0.00 0.00 176.54 176.34 3lo3 h ALA 22 N 1.64 1.00 -0.01 3.60 0.00 -1.13 -3.26 119.26 121.10 3lo3 h ALA 22 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.47 3lo3 h ALA 22 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3lo3 h ALA 22 CO -0.32 0.00 -0.17 0.54 0.00 0.00 0.00 179.25 179.30 3lo3 n ARG 23 N -2.36 1.99 -0.04 0.00 1.74 -0.17 -4.65 116.66 113.17 3lo3 n ARG 23 Ca 0.03 -0.61 -0.14 0.00 -0.77 0.00 0.00 57.85 56.36 3lo3 n ARG 23 Cb 0.33 -1.06 -0.12 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 1.07 1.61 -0.87 1.55 2.07 -1.56 -3.31 116.25 116.81 3lo3 h VAL 24 Ca 0.00 -1.88 0.19 0.00 0.82 0.00 0.00 66.70 65.83 3lo3 h VAL 24 Cb 0.31 2.87 -0.16 0.00 -1.52 0.00 0.00 31.29 32.79 3lo3 h VAL 24 CO 0.00 0.50 -0.13 0.00 0.02 0.00 0.00 177.57 177.95 3lo3 h ALA 25 N 0.22 0.72 -0.93 1.67 0.00 -1.83 0.87 119.26 119.97 3lo3 h ALA 25 Ca -0.01 0.32 0.10 0.00 0.00 0.00 0.00 54.91 55.32 3lo3 h ALA 25 Cb 0.85 0.61 -0.08 0.00 0.00 0.00 0.00 17.79 19.17 3lo3 h ALA 25 CO 0.01 -0.43 0.57 1.03 0.00 0.00 0.00 179.25 180.43 3lo3 h SER 26 N 0.02 0.85 0.86 0.00 0.87 -1.88 -1.85 113.55 112.43 3lo3 h SER 26 Ca 0.45 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 61.03 3lo3 h SER 26 Cb 0.76 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.58 3lo3 h SER 26 CO -0.86 0.48 -0.08 0.71 -0.53 0.00 0.00 176.83 176.56 3lo3 h THR 27 N 0.95 0.22 0.00 2.23 1.35 0.67 -3.07 112.91 115.26 3lo3 h THR 27 Ca 0.45 -0.65 -0.19 0.00 -0.55 0.00 0.00 66.41 65.46 3lo3 h THR 27 Cb 0.38 1.53 -0.03 0.00 -1.73 0.00 0.00 68.15 68.30 3lo3 h THR 27 CO -0.24 0.08 -0.98 -0.07 -0.25 0.00 0.00 175.52 174.06 3lo3 h LEU 28 N 0.00 0.00 -1.50 3.87 3.38 -0.93 -3.37 115.31 116.76 3lo3 h LEU 28 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3lo3 h LEU 28 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3lo3 h LEU 28 CO 0.01 0.87 -0.05 0.00 0.09 0.00 0.00 178.44 179.36 3lo3 h ALA 29 N 1.13 1.59 0.00 1.53 0.00 -1.43 -1.13 119.26 120.96 3lo3 h ALA 29 Ca -0.04 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3lo3 h ALA 29 Cb 1.70 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3lo3 h ALA 29 CO 0.11 0.30 0.00 1.17 0.00 0.00 0.00 179.25 180.82 3lo3 n LYS 30 N -4.34 0.18 -0.04 0.00 4.81 -1.26 -2.90 118.16 114.61 3lo3 n LYS 30 Ca -0.00 0.36 0.02 0.00 -0.87 0.00 0.00 58.31 57.81 3lo3 n LYS 30 Cb 0.21 -1.81 0.04 0.00 0.02 0.00 0.00 35.03 33.50 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 -2.13 0.11 -1.33 5.64 4.01 -0.55 -4.97 117.16 117.92 3lo3 n TYR 31 Ca 0.03 -0.31 -0.11 0.00 -0.16 0.00 0.00 57.90 57.35 3lo3 n TYR 31 Cb 0.26 -0.03 -0.05 0.00 -0.31 0.00 0.00 39.34 39.21 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 0.01 -4.79 -4.74 7.72 7.64 -0.76 -4.65 113.62 114.06 3lo3 n SER 32 Ca 0.04 0.28 -0.37 0.00 1.01 0.00 0.00 58.87 59.83 3lo3 n SER 32 Cb 0.23 -3.30 0.06 0.00 -1.01 0.00 0.00 64.21 60.20 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 -2.68 2.87 -0.23 0.23 0.00 -0.54 -4.52 107.32 102.46 3lo3 s GLY 33 Ca 0.00 1.27 -0.13 0.00 0.00 0.00 0.00 44.72 45.85 3lo3 s GLY 33 CO 0.00 1.73 0.57 -1.83 0.00 0.00 0.00 173.10 173.57 3lo3 s GLU 34 N -3.23 0.58 -0.00 2.90 -1.05 -0.68 -4.65 118.70 112.57 3lo3 s GLU 34 Ca 0.79 1.02 -0.30 0.00 -0.15 0.00 0.00 54.97 56.33 3lo3 s GLU 34 Cb -0.39 0.08 -0.06 0.00 -0.44 0.00 0.00 34.13 33.33 3lo3 s GLU 34 CO 0.43 -0.15 1.43 0.08 0.95 0.00 0.00 175.26 178.00 3lo3 s VAL 35 N 1.46 3.67 -0.20 1.83 1.01 -1.26 -1.31 120.40 125.61 3lo3 s VAL 35 Ca -0.09 1.04 -0.13 0.00 0.00 0.00 0.00 61.98 62.80 3lo3 s VAL 35 Cb -0.06 -3.67 -0.20 0.00 0.00 0.00 0.00 36.38 32.45 3lo3 s VAL 35 CO -0.16 -0.01 0.10 -0.11 0.00 0.00 0.00 175.10 174.92 3lo3 n LEU 36 N 5.55 2.24 -4.10 3.92 7.94 0.11 -4.95 117.00 127.71 3lo3 n LEU 36 Ca 0.14 0.28 -0.08 0.00 -1.11 0.00 0.00 56.01 55.24 3lo3 n LEU 36 Cb 0.43 -0.98 -0.10 0.00 0.53 0.00 0.00 43.42 43.30 3lo3 n LEU 36 CO 0.59 0.58 -0.37 -0.69 -1.11 0.00 0.00 177.39 176.39 3lo3 s VAL 37 N -2.47 0.31 -0.21 1.96 1.01 -1.23 -4.98 120.40 114.79 3lo3 s VAL 37 Ca -0.30 -1.76 -0.07 0.00 0.00 0.00 0.00 61.98 59.86 3lo3 s VAL 37 Cb 0.08 -1.45 0.10 0.00 0.00 0.00 0.00 36.38 35.11 3lo3 s VAL 37 CO 0.63 -0.93 0.43 -0.75 0.00 0.00 0.00 175.10 174.48 3lo3 s LYS 38 N -3.69 0.34 0.00 2.72 2.20 -1.26 -2.44 119.74 117.61 3lo3 s LYS 38 Ca 0.06 1.04 0.00 0.00 -0.36 0.00 0.00 55.97 56.71 3lo3 s LYS 38 Cb 0.06 0.34 0.00 0.00 -1.51 0.00 0.00 37.83 36.72 3lo3 s LYS 38 CO -0.08 -0.27 0.00 0.41 -0.36 0.00 0.00 175.35 175.05 3lo3 n GLY 39 N 5.39 -0.35 3.97 5.54 0.00 -1.15 -5.06 105.19 113.53 3lo3 n GLY 39 Ca -0.08 -0.92 -0.21 0.00 0.00 0.00 0.00 46.02 44.81 3lo3 n GLY 39 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3lo3 s SER 40 N 0.00 6.23 -0.11 1.61 1.04 -1.26 -2.02 113.70 119.19 3lo3 s SER 40 Ca 0.00 0.12 -0.17 0.00 0.48 0.00 0.00 55.95 56.37 3lo3 s SER 40 Cb 0.00 -1.77 -0.04 0.00 0.10 0.00 0.00 66.02 64.31 3lo3 s SER 40 CO 0.00 -0.22 0.45 -0.69 0.98 0.00 0.00 173.24 173.77 3lo3 s VAL 41 N -2.12 5.18 -0.20 5.02 1.01 -0.22 -4.91 120.40 124.17 3lo3 s VAL 41 Ca 0.38 0.90 -0.06 0.00 0.00 0.00 0.00 61.98 63.20 3lo3 s VAL 41 Cb -0.09 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 3lo3 s VAL 41 CO 0.31 0.36 0.04 -0.70 0.00 0.00 0.00 175.10 175.11 3lo3 s GLU 42 N 0.46 3.77 -0.16 2.72 2.12 -1.26 -4.99 118.70 121.36 3lo3 s GLU 42 Ca 0.25 -0.44 -0.29 0.00 0.36 0.00 0.00 54.97 54.85 3lo3 s GLU 42 Cb -0.15 -3.19 -0.00 0.00 0.26 0.00 0.00 34.13 31.05 3lo3 s GLU 42 CO 0.10 0.08 1.01 -1.14 -0.54 0.00 0.00 175.26 174.76 3lo3 s GLN 43 N 0.87 4.34 -0.21 4.30 2.00 -1.26 -4.89 119.66 124.81 3lo3 s GLN 43 Ca 0.03 1.35 0.12 0.00 -2.00 0.00 0.00 55.36 54.85 3lo3 s GLN 43 Cb -0.14 -3.59 -0.22 0.00 0.80 0.00 0.00 33.01 29.86 3lo3 s GLN 43 CO 0.02 -0.45 -0.01 1.28 -0.50 0.00 0.00 175.29 175.64 3lo3 n LEU 44 N 5.57 1.09 -3.69 3.68 4.77 -1.26 -5.00 117.00 122.17 3lo3 n LEU 44 Ca 0.10 -0.03 -0.11 0.00 -0.03 0.00 0.00 56.01 55.94 3lo3 n LEU 44 Cb 0.48 -0.02 -0.09 0.00 -2.33 0.00 0.00 43.42 41.45 3lo3 n LEU 44 CO 0.52 0.65 0.16 -2.28 -1.33 0.00 0.00 177.39 175.11 3lo3 s HIS 45 N -2.50 -0.68 0.00 -1.77 5.04 -1.26 -5.14 115.29 108.97 3lo3 s HIS 45 Ca -0.19 1.48 0.00 0.00 -1.54 0.00 0.00 55.06 54.82 3lo3 s HIS 45 Cb 0.07 0.32 0.00 0.00 0.04 0.00 0.00 32.58 33.01 3lo3 s HIS 45 CO 0.75 -0.36 0.00 0.41 -2.34 0.00 0.00 174.74 173.20 3lo3 n GLY 46 N 3.80 -1.24 3.34 1.59 0.00 -1.26 -4.88 105.19 106.54 3lo3 n GLY 46 Ca -0.19 -1.53 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 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 1.92 -0.02 1.61 1.02 -1.26 -5.05 119.74 117.96 3lo3 s LYS 47 Ca 0.00 -1.04 0.03 0.00 0.02 0.00 0.00 55.97 54.97 3lo3 s LYS 47 Cb 0.00 -2.02 -0.00 0.00 -0.52 0.00 0.00 37.83 35.29 3lo3 s LYS 47 CO 0.00 0.53 -0.10 0.12 -0.92 0.00 0.00 175.35 174.98 3lo3 s PHE 48 N -0.76 0.94 0.06 3.18 5.36 -1.26 -5.08 117.98 120.42 3lo3 s PHE 48 Ca 0.11 -0.21 -0.17 0.00 -0.96 0.00 0.00 56.93 55.71 3lo3 s PHE 48 Cb -0.10 -0.64 -0.18 0.00 -0.34 0.00 0.00 43.02 41.76 3lo3 s PHE 48 CO 0.01 -0.06 1.23 0.93 -1.46 0.00 0.00 175.22 175.88 3lo3 h GLU 49 N 6.13 0.59 -6.93 10.12 5.08 -2.01 -3.47 114.58 124.08 3lo3 h GLU 49 Ca -0.32 -0.50 -0.47 0.00 -1.00 0.00 0.00 59.36 57.07 3lo3 h GLU 49 Cb 1.17 0.11 0.04 0.00 0.50 0.00 0.00 28.75 30.58 3lo3 h GLU 49 CO 0.49 1.12 0.06 -1.01 -1.00 0.00 0.00 179.01 178.68 3lo3 s HIS 50 N -3.63 3.27 -0.31 4.33 3.76 -1.26 -5.00 115.29 116.44 3lo3 s HIS 50 Ca -0.12 0.49 0.23 0.00 -0.15 0.00 0.00 55.06 55.51 3lo3 s HIS 50 Cb 0.06 -2.53 -0.00 0.00 1.11 0.00 0.00 32.58 31.22 3lo3 s HIS 50 CO 0.85 -0.59 1.00 1.63 -0.85 0.00 0.00 174.74 176.77 3lo3 n LYS 51 N -2.35 0.53 -3.71 1.40 4.76 -0.34 -4.87 118.16 113.58 3lo3 n LYS 51 Ca 0.03 0.06 -0.10 0.00 -2.87 0.00 0.00 58.31 55.43 3lo3 n LYS 51 Cb 0.57 -1.73 -0.04 0.00 -1.84 0.00 0.00 35.03 31.99 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 -3.34 -0.92 0.04 7.82 0.00 -0.73 -1.05 121.76 123.58 3lo3 s ALA 52 Ca -0.00 -0.19 0.02 0.00 0.00 0.00 0.00 51.96 51.79 3lo3 s ALA 52 Cb 0.11 0.83 -0.02 0.00 0.00 0.00 0.00 23.12 24.03 3lo3 s ALA 52 CO 0.80 -0.76 -0.07 -0.65 0.00 0.00 0.00 175.76 175.07 3lo3 s GLN 53 N -3.86 0.52 0.08 0.00 -0.21 -0.85 0.08 119.66 115.42 3lo3 s GLN 53 Ca 0.08 -0.78 0.03 0.00 0.02 0.00 0.00 55.36 54.71 3lo3 s GLN 53 Cb -0.00 -0.24 -0.03 0.00 1.00 0.00 0.00 33.01 33.73 3lo3 s GLN 53 CO -0.05 0.04 -0.10 0.08 -2.12 0.00 0.00 175.29 173.14 3lo3 s VAL 54 N -1.53 0.84 -0.21 1.09 1.01 -0.34 -2.94 120.40 118.32 3lo3 s VAL 54 Ca -0.09 -1.43 -0.01 0.00 0.00 0.00 0.00 61.98 60.45 3lo3 s VAL 54 Cb -0.09 -1.10 0.06 0.00 0.00 0.00 0.00 36.38 35.24 3lo3 s VAL 54 CO -0.00 -0.46 -0.03 -0.63 0.00 0.00 0.00 175.10 173.98 3lo3 s ILE 55 N -1.97 1.15 -0.11 2.22 1.01 -1.02 -0.82 121.20 121.66 3lo3 s ILE 55 Ca -0.00 -0.91 -0.12 0.00 0.00 0.00 0.00 60.65 59.62 3lo3 s ILE 55 Cb -0.06 -1.47 -0.05 0.00 0.01 0.00 0.00 42.46 40.90 3lo3 s ILE 55 CO 0.00 -0.08 0.29 -0.76 0.00 0.00 0.00 174.94 174.38 3lo3 s LEU 56 N 1.58 4.34 -0.15 2.97 1.02 0.13 0.05 118.68 128.61 3lo3 s LEU 56 Ca -0.03 0.62 0.01 0.00 0.02 0.00 0.00 54.13 54.75 3lo3 s LEU 56 Cb -0.18 -2.36 0.00 0.00 0.02 0.00 0.00 46.19 43.68 3lo3 s LEU 56 CO -0.07 0.23 -0.18 -0.70 0.02 0.00 0.00 176.35 175.65 3lo3 s GLU 57 N -0.29 3.13 0.20 1.70 2.12 -0.42 -0.35 118.70 124.79 3lo3 s GLU 57 Ca 0.18 -0.80 0.10 0.00 0.36 0.00 0.00 54.97 54.81 3lo3 s GLU 57 Cb -0.14 -2.55 -0.04 0.00 0.26 0.00 0.00 34.13 31.66 3lo3 s GLU 57 CO 0.06 -0.01 -0.19 -0.06 -0.54 0.00 0.00 175.26 174.53 3lo3 s PHE 58 N 0.84 1.97 -1.60 5.30 0.08 -0.89 -1.69 117.98 121.99 3lo3 s PHE 58 Ca -0.06 -0.44 0.13 0.00 0.12 0.00 0.00 56.93 56.68 3lo3 s PHE 58 Cb -0.15 -0.94 0.68 0.00 -0.57 0.00 0.00 43.02 42.04 3lo3 s PHE 58 CO -0.01 0.44 1.29 -0.35 -0.10 0.00 0.00 175.22 176.48 3lo3 n PRO 59 N -0.02 0.25 -3.63 0.24 -0.04 -1.26 -0.76 135.00 129.78 3lo3 n PRO 59 Ca -0.10 0.12 -0.06 0.00 -0.04 0.00 0.00 63.50 63.41 3lo3 n PRO 59 Cb 0.58 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.48 3lo3 n PRO 59 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3lo3 s SER 60 N -2.40 -0.22 0.34 3.54 1.04 -1.26 -4.38 113.70 110.36 3lo3 s SER 60 Ca 0.14 0.34 0.10 0.00 0.48 0.00 0.00 55.95 57.02 3lo3 s SER 60 Cb 0.09 0.32 0.87 0.00 0.10 0.00 0.00 66.02 67.40 3lo3 s SER 60 CO 0.18 -0.12 1.79 -0.09 0.98 0.00 0.00 173.24 175.97 3lo3 h ARG 61 N 3.03 0.61 -0.24 4.02 2.43 -1.82 0.77 114.38 123.18 3lo3 h ARG 61 Ca -0.21 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 58.75 3lo3 h ARG 61 Cb 1.18 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.59 3lo3 h ARG 61 CO 0.20 0.41 -0.52 1.05 -1.51 0.00 0.00 179.97 179.59 3lo3 h GLU 62 N 0.63 0.70 0.15 0.20 4.11 -1.96 -0.52 114.58 117.90 3lo3 h GLU 62 Ca 0.57 -0.43 -0.00 0.00 0.07 0.00 0.00 59.36 59.57 3lo3 h GLU 62 Cb 1.06 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 3lo3 h GLU 62 CO -0.34 1.05 -0.11 -0.44 0.07 0.00 0.00 179.01 179.24 3lo3 h ASP 63 N 0.55 -0.29 -0.76 3.06 3.32 -1.23 0.32 116.42 121.39 3lo3 h ASP 63 Ca 0.02 0.02 0.11 0.00 0.02 0.00 0.00 57.03 57.21 3lo3 h ASP 63 Cb 1.09 0.09 -0.08 0.00 0.22 0.00 0.00 39.33 40.65 3lo3 h ASP 63 CO 0.11 -0.18 0.37 0.00 -1.72 0.00 0.00 179.24 177.82 3lo3 h ALA 64 N 0.57 1.08 0.06 3.45 0.00 -1.32 -0.79 119.26 122.30 3lo3 h ALA 64 Ca -0.01 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3lo3 h ALA 64 Cb 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3lo3 h ALA 64 CO -0.00 -0.07 -0.03 -0.92 0.00 0.00 0.00 179.25 178.22 3lo3 h TYR 65 N 0.59 -0.07 -0.35 0.00 3.20 -0.51 -2.64 116.97 117.20 3lo3 h TYR 65 Ca 0.39 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.30 3lo3 h TYR 65 Cb 0.48 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 3lo3 h TYR 65 CO -0.11 0.29 0.24 -0.91 -1.64 0.00 0.00 178.16 176.03 3lo3 h ASN 66 N -0.45 0.27 0.78 -2.11 2.35 -0.27 -2.51 115.58 113.65 3lo3 h ASN 66 Ca -0.01 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 3lo3 h ASN 66 Cb 0.40 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.71 3lo3 h ASN 66 CO 0.01 0.19 -0.43 -0.25 -1.65 0.00 0.00 177.43 175.30 3lo3 h TRP 67 N 0.32 -1.13 -0.82 1.19 7.01 -0.92 -0.20 115.95 121.40 3lo3 h TRP 67 Ca 0.15 -0.02 0.18 0.00 2.11 0.00 0.00 58.89 61.30 3lo3 h TRP 67 Cb 0.19 0.39 -0.11 0.00 -2.10 0.00 0.00 29.16 27.53 3lo3 h TRP 67 CO -0.00 -0.67 0.34 -0.92 -2.79 0.00 0.00 178.44 174.40 3lo3 h TYR 68 N -1.12 0.57 -0.33 2.65 3.20 -1.10 -1.73 116.97 119.10 3lo3 h TYR 68 Ca -0.10 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.80 3lo3 h TYR 68 Cb 0.88 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.03 3lo3 h TYR 68 CO -0.06 0.02 0.00 0.72 -1.64 0.00 0.00 178.16 177.20 3lo3 n HIS 69 N -5.02 0.43 -2.26 -3.82 8.25 -1.03 -4.28 115.22 107.48 3lo3 n HIS 69 Ca 0.18 -0.21 -0.38 0.00 -0.26 0.00 0.00 57.72 57.04 3lo3 n HIS 69 Cb 0.52 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.61 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 -1.39 6.47 0.39 0.41 1.04 -0.10 -4.85 113.70 115.67 3lo3 s SER 70 Ca 0.35 2.38 0.18 0.00 0.48 0.00 0.00 55.95 59.33 3lo3 s SER 70 Cb 0.19 -2.62 1.09 0.00 0.10 0.00 0.00 66.02 64.78 3lo3 s SER 70 CO 0.27 -0.71 1.76 -0.08 0.98 0.00 0.00 173.24 175.45 3lo3 h GLU 71 N 2.60 0.39 0.49 4.02 4.81 -1.89 -0.27 114.58 124.74 3lo3 h GLU 71 Ca -0.49 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.69 3lo3 h GLU 71 Cb 1.24 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.53 3lo3 h GLU 71 CO 0.62 0.26 -0.24 0.93 -0.73 0.00 0.00 179.01 179.86 3lo3 h GLU 72 N 0.41 -0.64 -0.94 1.92 3.07 -1.92 -2.28 114.58 114.20 3lo3 h GLU 72 Ca 0.61 0.04 0.01 0.00 -0.50 0.00 0.00 59.36 59.53 3lo3 h GLU 72 Cb 1.52 0.15 -0.05 0.00 -0.84 0.00 0.00 28.75 29.52 3lo3 h GLU 72 CO -0.33 -0.43 0.62 -0.92 -1.40 0.00 0.00 179.01 176.55 3lo3 h TYR 73 N -0.96 1.17 -0.99 4.33 3.20 -1.67 -1.71 116.97 120.34 3lo3 h TYR 73 Ca -0.07 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.86 3lo3 h TYR 73 Cb 0.51 -0.40 -0.06 0.00 1.54 0.00 0.00 36.73 38.33 3lo3 h TYR 73 CO 0.03 0.73 0.65 1.96 -1.64 0.00 0.00 178.16 179.89 3lo3 h GLN 74 N 1.25 1.23 -0.30 1.82 1.08 -1.09 0.14 115.11 119.24 3lo3 h GLN 74 Ca 0.35 -0.07 0.09 0.00 -1.45 0.00 0.00 58.65 57.56 3lo3 h GLN 74 Cb -0.12 -0.28 -0.01 0.00 -0.05 0.00 0.00 27.48 27.02 3lo3 h GLN 74 CO -0.08 0.81 0.27 0.00 -0.95 0.00 0.00 178.83 178.89 3lo3 h ALA 75 N 1.40 2.08 0.00 3.87 0.00 -0.69 0.16 119.26 126.07 3lo3 h ALA 75 Ca 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.29 3lo3 h ALA 75 Cb -0.02 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3lo3 h ALA 75 CO -0.12 -0.43 0.00 1.28 0.00 0.00 0.00 179.25 179.98 3lo3 n LEU 76 N -4.03 0.00 -0.12 0.00 4.77 0.48 -4.31 117.00 113.79 3lo3 n LEU 76 Ca 0.04 0.37 -0.12 0.00 -0.03 0.00 0.00 56.01 56.27 3lo3 n LEU 76 Cb 0.43 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 3lo3 n LEU 76 CO 0.31 -0.04 0.57 0.40 -1.33 0.00 0.00 177.39 177.31 3lo3 h ILE 77 N 0.00 1.27 -0.34 -0.08 2.04 -0.68 -2.03 117.51 117.70 3lo3 h ILE 77 Ca 0.00 -1.53 0.07 0.00 1.00 0.00 0.00 64.86 64.40 3lo3 h ILE 77 Cb 0.34 1.35 -0.07 0.00 -0.74 0.00 0.00 36.82 37.69 3lo3 h ILE 77 CO 0.00 0.51 -0.13 0.28 0.00 0.00 0.00 178.15 178.82 3lo3 h SER 78 N 0.76 -0.44 -0.19 1.72 0.02 -1.78 -1.50 113.55 112.13 3lo3 h SER 78 Ca 0.07 0.12 -0.19 0.00 -0.84 0.00 0.00 61.79 60.95 3lo3 h SER 78 Cb 0.94 0.26 0.01 0.00 0.14 0.00 0.00 62.40 63.75 3lo3 h SER 78 CO 0.09 -0.16 -0.62 0.71 -1.14 0.00 0.00 176.83 175.71 3lo3 h THR 79 N -0.06 1.29 -0.62 -2.27 1.35 -1.82 -2.91 112.91 107.88 3lo3 h THR 79 Ca 0.17 -1.83 0.12 0.00 -0.55 0.00 0.00 66.41 64.32 3lo3 h THR 79 Cb 0.32 1.89 -0.09 0.00 -1.73 0.00 0.00 68.15 68.53 3lo3 h THR 79 CO -0.38 0.58 0.11 -0.09 -0.25 0.00 0.00 175.52 175.48 3lo3 h ARG 80 N 0.49 0.22 0.00 4.72 2.43 -1.22 0.10 114.38 121.13 3lo3 h ARG 80 Ca -0.02 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3lo3 h ARG 80 Cb 1.25 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3lo3 h ARG 80 CO 0.13 0.15 0.00 -0.44 -1.51 0.00 0.00 179.97 178.30 3lo3 h ASP 81 N 0.23 0.00 0.51 -3.80 3.45 -1.20 -1.79 116.42 113.82 3lo3 h ASP 81 Ca 0.33 0.00 -0.30 0.00 0.43 0.00 0.00 57.03 57.49 3lo3 h ASP 81 Cb 0.50 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.29 3lo3 h ASP 81 CO -0.44 0.00 -1.32 -0.07 -1.57 0.00 0.00 179.24 175.84 3lo3 h LEU 82 N 0.00 0.57 0.00 1.55 3.38 -1.02 -3.44 115.31 116.35 3lo3 h LEU 82 Ca 0.00 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.37 3lo3 h LEU 82 Cb 0.57 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3lo3 h LEU 82 CO 0.00 1.47 0.00 0.61 0.09 0.00 0.00 178.44 180.61 3lo3 n GLY 83 N 1.59 -1.00 3.57 0.83 0.00 0.23 -2.72 105.19 107.69 3lo3 n GLY 83 Ca -0.11 -0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.66 5.07 0.34 1.61 -0.00 0.35 0.55 116.67 121.94 3lo3 s ASP 85 Ca 0.17 -0.02 -0.08 0.00 -0.00 0.00 0.00 52.55 52.62 3lo3 s ASP 85 Cb 0.13 -1.74 0.02 0.00 -0.00 0.00 0.00 42.92 41.33 3lo3 s ASP 85 CO 0.32 0.22 0.56 -0.94 -0.00 0.00 0.00 175.17 175.33 3lo3 s SER 86 N 0.06 0.50 -0.11 0.27 1.04 -1.26 0.24 113.70 114.44 3lo3 s SER 86 Ca 0.02 -1.30 -0.06 0.00 0.48 0.00 0.00 55.95 55.09 3lo3 s SER 86 Cb -0.13 0.70 0.05 0.00 0.10 0.00 0.00 66.02 66.74 3lo3 s SER 86 CO 0.02 -1.38 0.26 0.00 0.98 0.00 0.00 173.24 173.12 3lo3 s GLN 87 N -3.02 0.22 -0.16 4.02 -2.07 0.09 -4.98 119.66 113.76 3lo3 s GLN 87 Ca 0.25 0.56 0.02 0.00 -1.82 0.00 0.00 55.36 54.36 3lo3 s GLN 87 Cb -0.02 -0.11 0.01 0.00 -1.09 0.00 0.00 33.01 31.80 3lo3 s GLN 87 CO 0.16 -0.17 -0.20 -0.06 -1.32 0.00 0.00 175.29 173.70 3lo3 s PHE 88 N 1.30 2.73 -0.16 9.60 2.99 -1.26 -1.39 117.98 131.79 3lo3 s PHE 88 Ca -0.09 -1.44 -0.02 0.00 0.00 0.00 0.00 56.93 55.39 3lo3 s PHE 88 Cb -0.10 -1.87 -0.01 0.00 0.00 0.00 0.00 43.02 41.04 3lo3 s PHE 88 CO -0.09 -0.68 -0.10 -0.65 -0.00 0.00 0.00 175.22 173.70 3lo3 s GLN 89 N 1.01 3.41 -0.05 0.44 1.11 -0.37 -4.95 119.66 120.26 3lo3 s GLN 89 Ca -0.02 -0.65 -0.16 0.00 0.01 0.00 0.00 55.36 54.54 3lo3 s GLN 89 Cb -0.14 -2.76 -0.05 0.00 -1.01 0.00 0.00 33.01 29.04 3lo3 s GLN 89 CO -0.06 0.10 0.43 -1.17 0.01 0.00 0.00 175.29 174.59 3lo3 s LEU 90 N 0.67 4.39 -0.02 2.90 2.96 -1.26 -1.39 118.68 126.93 3lo3 s LEU 90 Ca -0.05 0.89 0.01 0.00 -0.22 0.00 0.00 54.13 54.75 3lo3 s LEU 90 Cb -0.15 -2.61 0.01 0.00 0.50 0.00 0.00 46.19 43.94 3lo3 s LEU 90 CO 0.02 0.20 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.61 3lo3 s ILE 91 N -0.40 0.18 0.00 6.68 1.01 -0.34 -5.02 121.20 123.30 3lo3 s ILE 91 Ca 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.88 3lo3 s ILE 91 Cb -0.16 -0.22 0.00 0.00 0.01 0.00 0.00 42.46 42.09 3lo3 s ILE 91 CO 0.12 0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.77