#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 4.94 -1.14 6.43 4.22 -1.26 -5.04 114.94 123.09 3lo3 s ASN 0 Ca 0.00 -0.89 -0.03 0.00 -2.14 0.00 0.00 52.86 49.80 3lo3 s ASN 0 Cb 0.00 -0.20 0.24 0.00 1.28 0.00 0.00 41.25 42.57 3lo3 s ASN 0 CO 0.00 -0.86 2.05 0.00 -2.04 0.00 0.00 177.10 176.25 3lo3 n ALA 1 N -1.69 6.37 -1.47 3.54 0.00 -1.26 -5.00 120.51 120.99 3lo3 n ALA 1 Ca 0.04 -4.40 -0.53 0.00 0.00 0.00 0.00 53.44 48.55 3lo3 n ALA 1 Cb 0.62 -2.41 -0.05 0.00 0.00 0.00 0.00 19.45 17.61 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 0.62 1.03 -4.47 0.00 -1.04 -1.26 -4.21 114.28 104.95 3lo3 n THR 2 Ca 0.53 -0.26 -0.28 0.00 -2.04 0.00 0.00 64.05 62.00 3lo3 n THR 2 Cb 0.26 -0.12 -0.09 0.00 -1.82 0.00 0.00 70.33 68.56 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 -0.48 3.53 -0.03 2.41 0.00 0.54 -4.88 121.76 122.85 3lo3 s ALA 3 Ca 0.76 -1.83 -0.04 0.00 0.00 0.00 0.00 51.96 50.85 3lo3 s ALA 3 Cb -1.06 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 22.01 3lo3 s ALA 3 CO 0.56 -0.13 0.10 0.71 0.00 0.00 0.00 175.76 177.00 3lo3 s TYR 4 N -2.71 -0.07 -0.14 0.00 2.02 0.89 -1.97 117.35 115.36 3lo3 s TYR 4 Ca 0.31 0.18 0.00 0.00 -0.37 0.00 0.00 57.07 57.20 3lo3 s TYR 4 Cb 0.06 0.01 -0.01 0.00 -0.40 0.00 0.00 41.96 41.63 3lo3 s TYR 4 CO 0.17 -0.09 -0.14 0.42 -1.57 0.00 0.00 175.55 174.33 3lo3 s ILE 5 N -0.22 2.89 -0.11 2.71 1.01 -0.82 -0.04 121.20 126.61 3lo3 s ILE 5 Ca -0.03 -0.71 -0.00 0.00 0.00 0.00 0.00 60.65 59.91 3lo3 s ILE 5 Cb -0.02 -2.22 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 3lo3 s ILE 5 CO 0.00 0.52 -0.10 -0.63 0.00 0.00 0.00 174.94 174.73 3lo3 s ILE 6 N 0.55 3.36 -0.00 2.92 1.01 0.70 -1.29 121.20 128.44 3lo3 s ILE 6 Ca -0.09 -0.57 0.06 0.00 0.00 0.00 0.00 60.65 60.05 3lo3 s ILE 6 Cb -0.16 -2.41 -0.02 0.00 0.01 0.00 0.00 42.46 39.89 3lo3 s ILE 6 CO 0.04 0.54 -0.20 0.54 0.00 0.00 0.00 174.94 175.86 3lo3 s VAL 7 N 0.01 1.55 -0.06 2.92 0.11 -0.31 -0.04 120.40 124.58 3lo3 s VAL 7 Ca -0.02 -0.90 0.04 0.00 -2.93 0.00 0.00 61.98 58.17 3lo3 s VAL 7 Cb -0.14 -1.30 -0.02 0.00 -1.53 0.00 0.00 36.38 33.39 3lo3 s VAL 7 CO 0.04 0.39 -0.19 -0.83 -3.33 0.00 0.00 175.10 171.17 3lo3 s GLY 8 N -0.59 1.42 0.04 6.54 0.00 -0.67 -2.02 107.32 112.05 3lo3 s GLY 8 Ca 0.07 -1.00 -0.14 0.00 0.00 0.00 0.00 44.72 43.65 3lo3 s GLY 8 CO -0.00 -0.64 0.32 0.48 0.00 0.00 0.00 173.10 173.25 3lo3 s LEU 9 N -0.32 0.82 -0.12 0.66 -0.00 -0.87 -0.72 118.68 118.13 3lo3 s LEU 9 Ca 0.02 -0.17 -0.01 0.00 -0.00 0.00 0.00 54.13 53.97 3lo3 s LEU 9 Cb -0.13 1.40 0.03 0.00 -0.00 0.00 0.00 46.19 47.50 3lo3 s LEU 9 CO 0.02 -0.63 -0.05 -0.89 -0.00 0.00 0.00 176.35 174.80 3lo3 s THR 10 N -2.57 0.91 0.47 5.48 2.01 -0.15 -2.40 115.64 119.38 3lo3 s THR 10 Ca -0.05 -0.28 -0.24 0.00 0.31 0.00 0.00 61.69 61.42 3lo3 s THR 10 Cb -0.01 -1.00 -0.07 0.00 0.01 0.00 0.00 72.50 71.43 3lo3 s THR 10 CO -0.03 0.29 1.36 -2.84 -0.69 0.00 0.00 174.62 172.71 3lo3 s PRO 11 N 1.75 3.60 0.00 4.92 0.02 -1.26 -1.30 135.00 142.73 3lo3 s PRO 11 Ca 0.04 2.27 0.00 0.00 0.02 0.00 0.00 61.00 63.33 3lo3 s PRO 11 Cb -0.13 -2.55 0.00 0.00 0.02 0.00 0.00 34.50 31.84 3lo3 s PRO 11 CO -0.08 -0.83 0.00 1.63 -0.33 0.00 0.00 177.00 177.39 3lo3 n LYS 12 N -0.37 0.00 -2.37 5.54 5.02 0.49 -4.85 118.16 121.62 3lo3 n LYS 12 Ca 0.06 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.92 3lo3 n LYS 12 Cb 0.43 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.42 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 1.00 6.62 0.47 4.39 -1.08 -1.18 -4.91 116.67 121.98 3lo3 s ASP 13 Ca 0.00 1.26 0.21 0.00 -0.52 0.00 0.00 52.55 53.50 3lo3 s ASP 13 Cb 0.00 -2.54 1.17 0.00 -1.46 0.00 0.00 42.92 40.09 3lo3 s ASP 13 CO 0.00 -1.11 2.00 0.00 0.52 0.00 0.00 175.17 176.58 3lo3 h ALA 14 N 9.53 1.43 0.06 3.66 0.00 -1.92 -1.79 119.26 130.23 3lo3 h ALA 14 Ca -0.27 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 3lo3 h ALA 14 Cb 1.11 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.88 3lo3 h ALA 14 CO 1.03 0.23 -0.43 1.49 0.00 0.00 0.00 179.25 181.56 3lo3 h GLU 15 N 0.00 0.18 -0.79 0.00 4.81 -1.96 -2.77 114.58 114.05 3lo3 h GLU 15 Ca -0.00 -0.28 0.05 0.00 -0.13 0.00 0.00 59.36 59.00 3lo3 h GLU 15 Cb 0.39 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.81 3lo3 h GLU 15 CO 0.02 1.10 0.48 0.87 -0.73 0.00 0.00 179.01 180.75 3lo3 h LYS 16 N -0.59 0.86 -0.07 1.92 1.79 -1.88 -1.62 116.57 116.99 3lo3 h LYS 16 Ca -0.07 -0.05 0.03 0.00 -2.18 0.00 0.00 60.65 58.37 3lo3 h LYS 16 Cb 1.30 -0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 31.73 3lo3 h LYS 16 CO 0.08 0.57 -0.09 1.25 -1.08 0.00 0.00 179.45 180.19 3lo3 h LEU 17 N 0.89 -0.27 -0.18 2.94 6.46 -1.37 0.11 115.31 123.88 3lo3 h LEU 17 Ca 0.34 0.05 0.04 0.00 -0.12 0.00 0.00 57.88 58.19 3lo3 h LEU 17 Cb 0.14 0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.16 3lo3 h LEU 17 CO -0.16 -0.12 -0.08 -0.61 -0.62 0.00 0.00 178.44 176.85 3lo3 h GLN 18 N -0.12 -0.05 -0.26 1.25 4.15 -1.35 0.23 115.11 118.95 3lo3 h GLN 18 Ca 0.06 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.53 3lo3 h GLN 18 Cb 0.20 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 27.83 3lo3 h GLN 18 CO -0.14 -0.04 -0.46 1.96 -1.93 0.00 0.00 178.83 178.23 3lo3 h GLN 19 N -0.05 -0.42 -0.21 1.69 4.20 -0.65 0.23 115.11 119.90 3lo3 h GLN 19 Ca 0.10 0.03 0.06 0.00 0.06 0.00 0.00 58.65 58.89 3lo3 h GLN 19 Cb 0.20 0.10 -0.07 0.00 0.30 0.00 0.00 27.48 28.01 3lo3 h GLN 19 CO -0.22 -0.28 -0.24 -0.92 -0.67 0.00 0.00 178.83 176.50 3lo3 h TYR 20 N -0.44 -0.63 -0.29 2.96 3.20 -0.64 -2.46 116.97 118.67 3lo3 h TYR 20 Ca 0.09 0.04 0.08 0.00 3.14 0.00 0.00 58.73 62.08 3lo3 h TYR 20 Cb 0.62 0.31 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 3lo3 h TYR 20 CO -0.58 -0.32 0.21 0.78 -1.64 0.00 0.00 178.16 176.62 3lo3 h GLY 21 N -0.26 0.00 2.00 1.82 0.00 0.82 -0.61 103.07 106.84 3lo3 h GLY 21 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.37 3lo3 h GLY 21 CO -0.36 0.00 -0.39 0.00 0.00 0.00 0.00 176.54 175.78 3lo3 h ALA 22 N 1.85 0.81 0.00 3.60 0.00 -0.12 -3.34 119.26 122.06 3lo3 h ALA 22 Ca 0.14 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.55 3lo3 h ALA 22 Cb 0.56 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3lo3 h ALA 22 CO -0.00 0.49 -1.39 0.54 0.00 0.00 0.00 179.25 178.90 3lo3 n ARG 23 N -3.30 0.62 -0.09 0.00 5.12 -0.25 -4.61 116.66 114.15 3lo3 n ARG 23 Ca 0.01 0.18 -0.09 0.00 -1.93 0.00 0.00 57.85 56.03 3lo3 n ARG 23 Cb 0.62 -1.79 -0.01 0.00 -1.16 0.00 0.00 32.46 30.12 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 1.07 -0.54 1.55 2.07 -1.63 -3.27 116.25 115.50 3lo3 h VAL 24 Ca -0.14 -0.14 0.11 0.00 0.82 0.00 0.00 66.70 67.34 3lo3 h VAL 24 Cb 1.47 0.61 -0.09 0.00 -1.52 0.00 0.00 31.29 31.77 3lo3 h VAL 24 CO 0.03 0.08 0.01 0.00 0.02 0.00 0.00 177.57 177.71 3lo3 h ALA 25 N 1.12 0.52 -0.31 1.67 0.00 -1.82 -0.54 119.26 119.90 3lo3 h ALA 25 Ca 0.12 0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.22 3lo3 h ALA 25 Cb -0.04 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3lo3 h ALA 25 CO -0.03 -0.38 0.21 0.66 0.00 0.00 0.00 179.25 179.71 3lo3 h SER 26 N 0.12 0.24 0.77 0.00 4.64 -1.89 -1.54 113.55 115.90 3lo3 h SER 26 Ca 0.28 -0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.51 3lo3 h SER 26 Cb 0.42 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 3lo3 h SER 26 CO -0.45 0.16 -0.40 0.71 -0.87 0.00 0.00 176.83 175.98 3lo3 h THR 27 N 0.28 0.97 0.05 2.95 1.35 -1.23 -3.24 112.91 114.04 3lo3 h THR 27 Ca 0.13 -1.56 -0.12 0.00 -0.55 0.00 0.00 66.41 64.32 3lo3 h THR 27 Cb 0.18 1.93 0.01 0.00 -1.73 0.00 0.00 68.15 68.53 3lo3 h THR 27 CO -0.03 0.39 -0.49 -0.07 -0.25 0.00 0.00 175.52 175.07 3lo3 h LEU 28 N 0.00 0.35 -0.97 3.87 3.38 -1.05 -3.32 115.31 117.57 3lo3 h LEU 28 Ca -0.00 -0.87 0.17 0.00 0.09 0.00 0.00 57.88 57.27 3lo3 h LEU 28 Cb 0.89 -0.11 -0.17 0.00 0.09 0.00 0.00 40.66 41.37 3lo3 h LEU 28 CO 0.05 1.18 -0.34 0.00 0.09 0.00 0.00 178.44 179.42 3lo3 h ALA 29 N 0.18 0.31 -0.01 1.53 0.00 -1.49 0.66 119.26 120.44 3lo3 h ALA 29 Ca -0.08 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3lo3 h ALA 29 Cb 1.30 0.92 -0.00 0.00 0.00 0.00 0.00 17.79 20.00 3lo3 h ALA 29 CO 0.09 -0.55 0.36 -0.22 0.00 0.00 0.00 179.25 178.94 3lo3 h LYS 30 N -0.01 0.00 0.00 0.00 3.64 -1.66 -0.01 116.57 118.53 3lo3 h LYS 30 Ca 0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 3lo3 h LYS 30 Cb 0.63 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3lo3 h LYS 30 CO -0.98 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 176.86 3lo3 n TYR 31 N -2.88 0.00 -2.20 1.91 4.01 0.21 -4.99 117.16 113.21 3lo3 n TYR 31 Ca -0.02 -0.38 -0.15 0.00 -0.16 0.00 0.00 57.90 57.20 3lo3 n TYR 31 Cb 0.41 -0.04 -0.01 0.00 -0.31 0.00 0.00 39.34 39.39 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 -0.38 -4.49 -4.76 7.72 7.64 -0.02 -4.74 113.62 114.58 3lo3 n SER 32 Ca 0.00 0.02 -0.29 0.00 1.01 0.00 0.00 58.87 59.60 3lo3 n SER 32 Cb 0.30 -3.61 0.12 0.00 -1.01 0.00 0.00 64.21 60.01 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 -2.38 1.61 -0.27 0.23 0.00 -0.69 -4.51 107.32 101.30 3lo3 s GLY 33 Ca 0.00 -0.25 -0.25 0.00 0.00 0.00 0.00 44.72 44.22 3lo3 s GLY 33 CO 0.00 0.24 0.76 -0.54 0.00 0.00 0.00 173.10 173.56 3lo3 s GLU 34 N -5.10 0.80 -0.55 2.90 2.02 -0.68 -4.60 118.70 113.49 3lo3 s GLU 34 Ca 0.63 0.92 -0.25 0.00 0.02 0.00 0.00 54.97 56.29 3lo3 s GLU 34 Cb -0.16 0.39 0.04 0.00 0.10 0.00 0.00 34.13 34.50 3lo3 s GLU 34 CO 0.55 -0.10 1.00 0.08 0.02 0.00 0.00 175.26 176.81 3lo3 s VAL 35 N 0.31 4.31 0.11 2.63 1.01 -1.26 -0.28 120.40 127.23 3lo3 s VAL 35 Ca 0.00 0.49 -0.06 0.00 0.00 0.00 0.00 61.98 62.41 3lo3 s VAL 35 Cb -0.05 -4.57 -0.21 0.00 0.00 0.00 0.00 36.38 31.55 3lo3 s VAL 35 CO 0.00 -1.13 1.25 0.25 0.00 0.00 0.00 175.10 175.47 3lo3 h LEU 36 N 11.15 0.57 -7.15 3.92 5.85 -1.32 -3.47 115.31 124.86 3lo3 h LEU 36 Ca -0.26 -0.49 -0.07 0.00 0.84 0.00 0.00 57.88 57.91 3lo3 h LEU 36 Cb 1.07 -0.18 -0.23 0.00 0.37 0.00 0.00 40.66 41.69 3lo3 h LEU 36 CO 1.10 1.31 -0.10 -0.69 -0.34 0.00 0.00 178.44 179.72 3lo3 s VAL 37 N -3.13 -0.01 0.01 1.05 1.01 -1.13 -4.98 120.40 113.23 3lo3 s VAL 37 Ca -0.06 0.02 0.04 0.00 0.00 0.00 0.00 61.98 61.98 3lo3 s VAL 37 Cb 0.08 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 3lo3 s VAL 37 CO 0.88 0.01 -0.12 -0.54 0.00 0.00 0.00 175.10 175.33 3lo3 s LYS 38 N 0.82 0.89 0.00 2.72 1.02 -1.26 -1.04 119.74 122.89 3lo3 s LYS 38 Ca -0.04 -0.55 0.00 0.00 0.02 0.00 0.00 55.97 55.39 3lo3 s LYS 38 Cb -0.05 -0.87 0.00 0.00 -0.52 0.00 0.00 37.83 36.39 3lo3 s LYS 38 CO -0.07 0.23 0.00 0.41 -0.92 0.00 0.00 175.35 175.00 3lo3 n GLY 39 N 2.39 2.46 3.77 -3.33 0.00 -0.28 -5.00 105.19 105.21 3lo3 n GLY 39 Ca -0.16 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 44.85 3lo3 n GLY 39 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3lo3 s SER 40 N 0.00 6.00 -0.13 1.61 0.01 -1.26 -0.32 113.70 119.60 3lo3 s SER 40 Ca 0.00 2.23 -0.15 0.00 1.31 0.00 0.00 55.95 59.34 3lo3 s SER 40 Cb 0.00 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.59 3lo3 s SER 40 CO 0.00 -1.03 0.37 -0.69 0.41 0.00 0.00 173.24 172.30 3lo3 s VAL 41 N -1.66 5.24 -0.22 3.43 1.01 0.81 -4.87 120.40 124.15 3lo3 s VAL 41 Ca 0.67 0.71 -0.04 0.00 0.00 0.00 0.00 61.98 63.33 3lo3 s VAL 41 Cb -0.26 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 3lo3 s VAL 41 CO 0.31 0.38 -0.04 -0.70 0.00 0.00 0.00 175.10 175.05 3lo3 s GLU 42 N 0.39 3.40 -0.11 2.72 2.12 -1.26 -4.94 118.70 121.02 3lo3 s GLU 42 Ca 0.20 -0.62 -0.30 0.00 0.36 0.00 0.00 54.97 54.62 3lo3 s GLU 42 Cb -0.14 -3.01 -0.01 0.00 0.26 0.00 0.00 34.13 31.22 3lo3 s GLU 42 CO 0.07 -0.17 1.08 -1.14 -0.54 0.00 0.00 175.26 174.55 3lo3 s GLN 43 N 1.43 4.37 -0.10 4.30 2.00 -1.26 -4.92 119.66 125.48 3lo3 s GLN 43 Ca 0.05 1.48 -0.12 0.00 -2.00 0.00 0.00 55.36 54.77 3lo3 s GLN 43 Cb -0.14 -3.57 -0.27 0.00 0.80 0.00 0.00 33.01 29.82 3lo3 s GLN 43 CO -0.03 -0.41 0.51 -0.07 -0.50 0.00 0.00 175.29 174.79 3lo3 h LEU 44 N 8.34 0.44 -7.33 3.68 3.38 -2.04 -3.49 115.31 118.30 3lo3 h LEU 44 Ca -0.30 -0.89 -0.11 0.00 0.09 0.00 0.00 57.88 56.67 3lo3 h LEU 44 Cb 1.14 -0.14 -0.22 0.00 0.09 0.00 0.00 40.66 41.52 3lo3 h LEU 44 CO 0.88 1.74 -0.18 -2.28 0.09 0.00 0.00 178.44 178.70 3lo3 s HIS 45 N -2.53 -0.40 0.22 1.13 5.04 -1.26 -5.15 115.29 112.35 3lo3 s HIS 45 Ca -0.20 0.86 0.00 0.00 -1.54 0.00 0.00 55.06 54.18 3lo3 s HIS 45 Cb 0.05 0.17 0.00 0.00 0.04 0.00 0.00 32.58 32.84 3lo3 s HIS 45 CO 0.78 -0.33 0.00 0.41 -2.34 0.00 0.00 174.74 173.26 3lo3 n GLY 46 N 2.08 -1.71 3.78 1.59 0.00 -1.26 -4.80 105.19 104.87 3lo3 n GLY 46 Ca -0.17 -1.29 -0.37 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.85 4.08 -0.04 1.61 1.02 -1.26 -5.03 119.74 118.26 3lo3 s LYS 47 Ca 0.00 0.29 0.02 0.00 0.02 0.00 0.00 55.97 56.30 3lo3 s LYS 47 Cb 0.00 -3.33 0.01 0.00 -0.52 0.00 0.00 37.83 33.99 3lo3 s LYS 47 CO 0.00 0.44 -0.10 0.12 -0.92 0.00 0.00 175.35 174.90 3lo3 s PHE 48 N -0.24 1.12 -0.19 3.18 5.36 -1.26 -5.07 117.98 120.87 3lo3 s PHE 48 Ca 0.21 -0.33 0.28 0.00 -0.96 0.00 0.00 56.93 56.14 3lo3 s PHE 48 Cb -0.15 -0.82 0.89 0.00 -0.34 0.00 0.00 43.02 42.60 3lo3 s PHE 48 CO 0.09 -0.16 1.80 1.49 -1.46 0.00 0.00 175.22 176.98 3lo3 h GLU 49 N 6.65 0.00 -5.97 10.12 4.81 -2.01 -3.47 114.58 124.71 3lo3 h GLU 49 Ca -0.33 0.00 -0.61 0.00 -0.13 0.00 0.00 59.36 58.29 3lo3 h GLU 49 Cb 1.17 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.42 3lo3 h GLU 49 CO 0.48 0.00 -0.67 -1.01 -0.73 0.00 0.00 179.01 177.09 3lo3 s HIS 50 N -3.43 2.44 -0.24 0.92 3.76 -1.26 -4.98 115.29 112.50 3lo3 s HIS 50 Ca 0.04 -0.47 0.19 0.00 -0.15 0.00 0.00 55.06 54.67 3lo3 s HIS 50 Cb 0.07 -1.40 0.07 0.00 1.11 0.00 0.00 32.58 32.43 3lo3 s HIS 50 CO 0.59 0.56 1.23 0.87 -0.85 0.00 0.00 174.74 177.14 3lo3 h LYS 51 N 1.97 0.00 -3.98 1.40 1.79 -1.82 -3.45 116.57 112.47 3lo3 h LYS 51 Ca -0.42 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 57.91 3lo3 h LYS 51 Cb 1.25 0.00 -0.11 0.00 -1.58 0.00 0.00 32.23 31.79 3lo3 h LYS 51 CO 0.69 0.19 -0.27 0.00 -1.08 0.00 0.00 179.45 178.97 3lo3 s ALA 52 N -3.13 0.29 -0.02 3.86 0.00 -1.01 -0.13 121.76 121.62 3lo3 s ALA 52 Ca 0.02 -1.19 -0.07 0.00 0.00 0.00 0.00 51.96 50.71 3lo3 s ALA 52 Cb 0.08 1.17 0.01 0.00 0.00 0.00 0.00 23.12 24.38 3lo3 s ALA 52 CO 0.76 -0.77 0.16 -0.65 0.00 0.00 0.00 175.76 175.25 3lo3 s GLN 53 N -3.95 0.40 -0.01 0.00 -1.52 0.56 -2.05 119.66 113.09 3lo3 s GLN 53 Ca 0.28 -0.19 0.03 0.00 -1.95 0.00 0.00 55.36 53.53 3lo3 s GLN 53 Cb 0.02 0.17 -0.01 0.00 -0.22 0.00 0.00 33.01 32.97 3lo3 s GLN 53 CO 0.11 -0.09 -0.11 0.08 -0.25 0.00 0.00 175.29 175.04 3lo3 s VAL 54 N -0.92 0.86 -0.12 1.09 1.01 -0.85 -1.12 120.40 120.34 3lo3 s VAL 54 Ca -0.10 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.44 3lo3 s VAL 54 Cb -0.06 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.59 3lo3 s VAL 54 CO 0.01 0.25 -0.19 -0.63 0.00 0.00 0.00 175.10 174.54 3lo3 s ILE 55 N -0.18 2.51 -0.09 2.22 1.01 -0.21 -1.16 121.20 125.31 3lo3 s ILE 55 Ca 0.03 -0.85 -0.01 0.00 0.00 0.00 0.00 60.65 59.82 3lo3 s ILE 55 Cb -0.05 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.38 3lo3 s ILE 55 CO -0.00 0.54 -0.04 -0.76 0.00 0.00 0.00 174.94 174.68 3lo3 s LEU 56 N 0.39 3.33 -0.11 2.97 1.02 -0.41 -0.80 118.68 125.06 3lo3 s LEU 56 Ca -0.14 0.02 0.01 0.00 0.02 0.00 0.00 54.13 54.04 3lo3 s LEU 56 Cb -0.17 -1.75 -0.01 0.00 0.02 0.00 0.00 46.19 44.28 3lo3 s LEU 56 CO 0.07 0.34 -0.16 -0.70 0.02 0.00 0.00 176.35 175.92 3lo3 s GLU 57 N -0.64 3.19 0.12 1.70 2.12 0.62 -1.95 118.70 123.85 3lo3 s GLU 57 Ca 0.10 -0.73 0.06 0.00 0.36 0.00 0.00 54.97 54.76 3lo3 s GLU 57 Cb -0.12 -2.52 -0.04 0.00 0.26 0.00 0.00 34.13 31.72 3lo3 s GLU 57 CO 0.02 0.26 -0.15 -0.06 -0.54 0.00 0.00 175.26 174.79 3lo3 s PHE 58 N 0.21 1.43 -0.23 5.30 0.08 -0.83 -1.69 117.98 122.24 3lo3 s PHE 58 Ca -0.10 -0.54 0.28 0.00 0.12 0.00 0.00 56.93 56.69 3lo3 s PHE 58 Cb -0.16 -0.75 1.15 0.00 -0.57 0.00 0.00 43.02 42.70 3lo3 s PHE 58 CO 0.06 0.15 1.83 -1.00 -0.10 0.00 0.00 175.22 176.16 3lo3 h PRO 59 N 3.57 0.00 -3.35 0.24 0.13 -1.85 0.15 132.00 130.89 3lo3 h PRO 59 Ca -0.40 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.70 3lo3 h PRO 59 Cb 1.20 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.23 3lo3 h PRO 59 CO 0.49 0.00 0.01 -1.54 -0.23 0.00 0.00 178.00 176.73 3lo3 s SER 60 N -4.85 -0.22 0.18 1.44 1.04 -1.26 -4.04 113.70 105.98 3lo3 s SER 60 Ca 0.03 -0.56 -0.08 0.00 0.48 0.00 0.00 55.95 55.82 3lo3 s SER 60 Cb 0.09 0.58 0.06 0.00 0.10 0.00 0.00 66.02 66.86 3lo3 s SER 60 CO 0.46 -1.08 1.55 -0.09 0.98 0.00 0.00 173.24 175.06 3lo3 h ARG 61 N 2.21 0.87 -0.23 4.02 2.43 -1.81 -3.02 114.38 118.86 3lo3 h ARG 61 Ca -0.28 -0.40 0.06 0.00 -0.81 0.00 0.00 59.98 58.55 3lo3 h ARG 61 Cb 1.26 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.73 3lo3 h ARG 61 CO 0.37 1.05 -0.17 0.93 -1.51 0.00 0.00 179.97 180.63 3lo3 h GLU 62 N 0.74 -0.17 -0.20 0.20 5.08 -1.96 -0.63 114.58 117.65 3lo3 h GLU 62 Ca 0.08 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3lo3 h GLU 62 Cb 0.85 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 3lo3 h GLU 62 CO 0.07 -0.11 0.07 -0.44 -1.00 0.00 0.00 179.01 177.60 3lo3 h ASP 63 N -0.17 0.07 -0.12 1.42 3.32 -1.91 0.33 116.42 119.36 3lo3 h ASP 63 Ca 0.13 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.24 3lo3 h ASP 63 Cb 0.37 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 3lo3 h ASP 63 CO -0.33 0.07 -0.16 0.00 -1.72 0.00 0.00 179.24 177.10 3lo3 h ALA 64 N 1.13 -0.10 0.65 3.45 0.00 -1.36 0.52 119.26 123.56 3lo3 h ALA 64 Ca 0.09 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3lo3 h ALA 64 Cb 0.06 0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.18 3lo3 h ALA 64 CO -0.09 -0.62 -0.31 -0.92 0.00 0.00 0.00 179.25 177.31 3lo3 h TYR 65 N -0.21 -0.81 -0.81 0.00 3.20 -0.76 -2.51 116.97 115.07 3lo3 h TYR 65 Ca 0.09 -0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.11 3lo3 h TYR 65 Cb 0.34 0.27 -0.11 0.00 1.54 0.00 0.00 36.73 38.77 3lo3 h TYR 65 CO -0.27 -0.49 0.33 -0.91 -1.64 0.00 0.00 178.16 175.18 3lo3 h ASN 66 N -0.94 0.29 -0.53 -2.11 2.35 -0.17 -0.64 115.58 113.84 3lo3 h ASN 66 Ca -0.09 0.13 0.10 0.00 -0.55 0.00 0.00 56.30 55.89 3lo3 h ASN 66 Cb 0.69 0.11 -0.08 0.00 0.05 0.00 0.00 38.32 39.08 3lo3 h ASN 66 CO 0.15 0.07 0.03 -0.25 -1.65 0.00 0.00 177.43 175.77 3lo3 h TRP 67 N 0.43 0.02 -0.46 1.19 7.01 0.35 0.21 115.95 124.70 3lo3 h TRP 67 Ca 0.47 0.04 -0.12 0.00 2.11 0.00 0.00 58.89 61.39 3lo3 h TRP 67 Cb 0.78 0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.89 3lo3 h TRP 67 CO -0.16 -0.10 -0.18 -0.92 -2.79 0.00 0.00 178.44 174.29 3lo3 h TYR 68 N 0.15 1.01 -0.17 2.65 3.20 -0.71 -2.31 116.97 120.79 3lo3 h TYR 68 Ca 0.27 -0.22 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3lo3 h TYR 68 Cb 0.40 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.43 3lo3 h TYR 68 CO -0.30 0.99 0.00 0.72 -1.64 0.00 0.00 178.16 177.93 3lo3 n HIS 69 N -4.12 0.21 -1.82 -3.82 8.25 -0.75 -4.09 115.22 109.08 3lo3 n HIS 69 Ca 0.01 -0.11 -0.40 0.00 -0.26 0.00 0.00 57.72 56.96 3lo3 n HIS 69 Cb 0.42 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.55 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 -1.51 5.88 0.49 0.41 1.04 0.67 -4.82 113.70 115.85 3lo3 s SER 70 Ca 0.31 2.89 0.18 0.00 0.48 0.00 0.00 55.95 59.80 3lo3 s SER 70 Cb 0.16 -2.65 1.20 0.00 0.10 0.00 0.00 66.02 64.83 3lo3 s SER 70 CO 0.25 -1.17 2.07 1.05 0.98 0.00 0.00 173.24 176.42 3lo3 h GLU 71 N 2.31 0.00 -0.34 4.02 4.11 -1.90 0.26 114.58 123.04 3lo3 h GLU 71 Ca -0.51 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 58.87 3lo3 h GLU 71 Cb 1.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 3lo3 h GLU 71 CO 0.61 0.11 -0.01 0.93 0.07 0.00 0.00 179.01 180.72 3lo3 h GLU 72 N 0.00 0.61 0.29 1.06 5.08 -1.93 -0.85 114.58 118.83 3lo3 h GLU 72 Ca -0.00 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 3lo3 h GLU 72 Cb 0.20 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3lo3 h GLU 72 CO 0.01 0.73 -0.14 -0.92 -1.00 0.00 0.00 179.01 177.70 3lo3 h TYR 73 N 0.41 -0.36 -1.25 4.33 3.20 -1.67 -3.28 116.97 118.36 3lo3 h TYR 73 Ca 0.10 -0.01 0.36 0.00 3.14 0.00 0.00 58.73 62.32 3lo3 h TYR 73 Cb 0.46 0.12 -0.08 0.00 1.54 0.00 0.00 36.73 38.77 3lo3 h TYR 73 CO 0.04 -0.00 0.86 1.96 -1.64 0.00 0.00 178.16 179.38 3lo3 h GLN 74 N -0.86 0.12 0.00 1.82 1.08 -0.97 0.46 115.11 116.75 3lo3 h GLN 74 Ca -0.04 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 3lo3 h GLN 74 Cb 0.52 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 3lo3 h GLN 74 CO 0.06 0.08 0.00 0.00 -0.95 0.00 0.00 178.83 178.02 3lo3 h ALA 75 N 1.45 1.00 0.00 3.87 0.00 -1.20 -1.92 119.26 122.46 3lo3 h ALA 75 Ca 0.65 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.50 3lo3 h ALA 75 Cb 2.26 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 20.04 3lo3 h ALA 75 CO -0.15 0.00 -1.28 1.28 0.00 0.00 0.00 179.25 179.10 3lo3 n LEU 76 N -2.30 0.73 -0.28 0.00 4.77 0.16 -4.45 117.00 115.63 3lo3 n LEU 76 Ca 0.00 0.30 0.03 0.00 -0.03 0.00 0.00 56.01 56.31 3lo3 n LEU 76 Cb 0.14 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.40 3lo3 n LEU 76 CO 0.15 -0.05 1.11 0.40 -1.33 0.00 0.00 177.39 177.67 3lo3 h ILE 77 N 0.00 0.85 -0.50 -0.08 2.04 -1.38 0.43 117.51 118.86 3lo3 h ILE 77 Ca -0.06 -0.24 0.08 0.00 1.00 0.00 0.00 64.86 65.64 3lo3 h ILE 77 Cb 1.21 0.10 -0.10 0.00 -0.74 0.00 0.00 36.82 37.29 3lo3 h ILE 77 CO 0.01 0.13 -0.43 0.28 0.00 0.00 0.00 178.15 178.14 3lo3 h SER 78 N 0.69 -1.46 0.62 1.72 0.02 -1.78 0.92 113.55 114.29 3lo3 h SER 78 Ca 0.39 0.23 -0.19 0.00 -0.84 0.00 0.00 61.79 61.38 3lo3 h SER 78 Cb 0.42 0.65 -0.01 0.00 0.14 0.00 0.00 62.40 63.60 3lo3 h SER 78 CO -0.28 -0.35 -0.86 0.00 -1.14 0.00 0.00 176.83 174.21 3lo3 h THR 79 N -0.27 1.51 -0.81 -2.27 1.03 -1.69 -3.11 112.91 107.30 3lo3 h THR 79 Ca 0.16 -2.64 0.16 0.00 -0.01 0.00 0.00 66.41 64.09 3lo3 h THR 79 Cb 0.57 2.46 -0.10 0.00 -1.07 0.00 0.00 68.15 70.01 3lo3 h THR 79 CO -0.64 0.77 0.35 -0.09 -0.01 0.00 0.00 175.52 175.90 3lo3 h ARG 80 N 0.09 0.46 0.00 0.00 2.43 0.30 -1.82 114.38 115.84 3lo3 h ARG 80 Ca -0.04 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 58.97 3lo3 h ARG 80 Cb 1.49 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.91 3lo3 h ARG 80 CO 0.13 0.30 -0.63 -0.44 -1.51 0.00 0.00 179.97 177.82 3lo3 h ASP 81 N 0.47 0.00 0.12 -3.80 3.32 -0.81 -2.63 116.42 113.11 3lo3 h ASP 81 Ca 0.46 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.38 3lo3 h ASP 81 Cb 0.74 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 3lo3 h ASP 81 CO -0.43 0.63 -0.46 -0.07 -1.72 0.00 0.00 179.24 177.20 3lo3 h LEU 82 N 0.00 0.43 -0.09 1.55 4.07 -1.39 -3.42 115.31 116.45 3lo3 h LEU 82 Ca -0.01 -0.20 0.00 0.00 0.08 0.00 0.00 57.88 57.75 3lo3 h LEU 82 Cb 1.26 -0.12 0.00 0.00 1.08 0.00 0.00 40.66 42.88 3lo3 h LEU 82 CO 0.08 0.83 -0.06 0.61 -1.08 0.00 0.00 178.44 178.82 3lo3 n GLY 83 N 0.01 -1.15 3.33 0.83 0.00 -0.73 -3.13 105.19 104.34 3lo3 n GLY 83 Ca -0.02 -0.20 -0.32 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 -2.57 3.65 0.18 1.61 -0.00 -0.42 0.19 116.67 119.31 3lo3 s ASP 85 Ca 0.27 -0.39 -0.06 0.00 -0.00 0.00 0.00 52.55 52.37 3lo3 s ASP 85 Cb 0.20 -1.37 -0.02 0.00 -0.00 0.00 0.00 42.92 41.73 3lo3 s ASP 85 CO 0.48 0.20 0.23 -0.94 -0.00 0.00 0.00 175.17 175.14 3lo3 s SER 86 N 0.15 0.10 0.03 0.27 1.04 -1.26 -0.98 113.70 113.05 3lo3 s SER 86 Ca -0.09 -1.07 0.04 0.00 0.48 0.00 0.00 55.95 55.30 3lo3 s SER 86 Cb -0.16 0.42 -0.02 0.00 0.10 0.00 0.00 66.02 66.36 3lo3 s SER 86 CO 0.06 -0.89 -0.12 0.00 0.98 0.00 0.00 173.24 173.28 3lo3 s GLN 87 N -4.04 0.80 -0.23 4.02 -2.07 0.10 -4.96 119.66 113.29 3lo3 s GLN 87 Ca 0.25 -0.66 -0.02 0.00 -1.82 0.00 0.00 55.36 53.11 3lo3 s GLN 87 Cb 0.04 -0.76 0.07 0.00 -1.09 0.00 0.00 33.01 31.28 3lo3 s GLN 87 CO 0.05 0.19 0.04 -0.06 -1.32 0.00 0.00 175.29 174.18 3lo3 s PHE 88 N -0.80 1.30 -0.18 9.60 0.08 -1.26 -1.67 117.98 125.04 3lo3 s PHE 88 Ca -0.00 -1.14 -0.10 0.00 0.12 0.00 0.00 56.93 55.82 3lo3 s PHE 88 Cb -0.07 -1.22 -0.05 0.00 -0.57 0.00 0.00 43.02 41.11 3lo3 s PHE 88 CO 0.01 -0.69 0.14 -0.65 -0.10 0.00 0.00 175.22 173.93 3lo3 s GLN 89 N 1.76 4.07 -0.22 0.44 1.11 0.95 -4.89 119.66 122.88 3lo3 s GLN 89 Ca 0.01 -0.19 -0.16 0.00 0.01 0.00 0.00 55.36 55.03 3lo3 s GLN 89 Cb -0.17 -3.38 -0.04 0.00 -1.01 0.00 0.00 33.01 28.41 3lo3 s GLN 89 CO -0.12 0.38 0.40 -1.17 0.01 0.00 0.00 175.29 174.78 3lo3 s LEU 90 N 0.13 4.12 -0.14 2.90 0.20 -1.26 -0.21 118.68 124.41 3lo3 s LEU 90 Ca 0.10 0.46 0.01 0.00 0.69 0.00 0.00 54.13 55.39 3lo3 s LEU 90 Cb -0.11 -2.50 0.02 0.00 -0.43 0.00 0.00 46.19 43.17 3lo3 s LEU 90 CO -0.01 -0.11 -0.16 -0.63 -0.29 0.00 0.00 176.35 175.15 3lo3 s ILE 91 N 1.54 1.70 0.00 6.68 -1.09 0.94 -5.01 121.20 125.96 3lo3 s ILE 91 Ca 0.18 -0.73 0.00 0.00 -2.23 0.00 0.00 60.65 57.87 3lo3 s ILE 91 Cb -0.15 -1.56 0.00 0.00 -1.58 0.00 0.00 42.46 39.17 3lo3 s ILE 91 CO 0.08 0.48 0.00 0.61 -1.23 0.00 0.00 174.94 174.88