#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 4.23 -1.08 4.04 4.22 -1.26 -5.02 114.94 120.07 3lo3 s ASN 0 Ca 0.00 -0.17 -0.07 0.00 -2.14 0.00 0.00 52.86 50.48 3lo3 s ASN 0 Cb 0.00 -0.20 0.28 0.00 1.28 0.00 0.00 41.25 42.61 3lo3 s ASN 0 CO 0.00 -1.95 1.18 0.00 -2.04 0.00 0.00 177.10 174.29 3lo3 n ALA 1 N -2.97 4.44 -1.73 3.54 0.00 -1.26 -5.03 120.51 117.51 3lo3 n ALA 1 Ca 0.14 -4.70 -0.42 0.00 0.00 0.00 0.00 53.44 48.46 3lo3 n ALA 1 Cb 0.60 -2.33 -0.01 0.00 0.00 0.00 0.00 19.45 17.71 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 2.25 1.49 -4.29 0.00 -1.04 -1.26 -4.34 114.28 107.09 3lo3 n THR 2 Ca 0.24 -0.37 -0.29 0.00 -2.04 0.00 0.00 64.05 61.59 3lo3 n THR 2 Cb 0.37 -1.77 -0.11 0.00 -1.82 0.00 0.00 70.33 67.01 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 -0.55 2.79 0.05 2.41 0.00 0.21 -4.89 121.76 121.77 3lo3 s ALA 3 Ca 0.60 -1.36 0.03 0.00 0.00 0.00 0.00 51.96 51.24 3lo3 s ALA 3 Cb -0.54 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.84 3lo3 s ALA 3 CO 0.56 0.58 -0.10 0.71 0.00 0.00 0.00 175.76 177.51 3lo3 s TYR 4 N -1.27 0.87 -0.05 0.00 2.02 -0.82 0.19 117.35 118.29 3lo3 s TYR 4 Ca 0.20 -0.50 0.05 0.00 -0.37 0.00 0.00 57.07 56.45 3lo3 s TYR 4 Cb -0.10 -0.50 -0.01 0.00 -0.40 0.00 0.00 41.96 40.95 3lo3 s TYR 4 CO 0.12 -0.04 -0.21 0.42 -1.57 0.00 0.00 175.55 174.27 3lo3 s ILE 5 N -1.43 1.74 -0.14 2.71 1.01 -0.83 -2.09 121.20 122.16 3lo3 s ILE 5 Ca -0.06 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.70 3lo3 s ILE 5 Cb -0.09 -1.48 -0.01 0.00 0.01 0.00 0.00 42.46 40.89 3lo3 s ILE 5 CO 0.01 0.49 -0.14 -0.63 0.00 0.00 0.00 174.94 174.67 3lo3 s ILE 6 N -0.07 2.82 -0.07 2.92 1.01 0.75 -1.18 121.20 127.37 3lo3 s ILE 6 Ca -0.03 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 59.93 3lo3 s ILE 6 Cb -0.12 -2.19 -0.01 0.00 0.01 0.00 0.00 42.46 40.14 3lo3 s ILE 6 CO 0.03 0.52 -0.20 0.68 0.00 0.00 0.00 174.94 175.97 3lo3 s VAL 7 N 0.63 2.53 -0.25 2.92 -7.23 -0.48 -0.76 120.40 117.76 3lo3 s VAL 7 Ca -0.08 -0.89 -0.02 0.00 -1.81 0.00 0.00 61.98 59.19 3lo3 s VAL 7 Cb -0.16 -1.98 0.03 0.00 0.56 0.00 0.00 36.38 34.83 3lo3 s VAL 7 CO 0.03 0.56 -0.06 -0.83 -0.31 0.00 0.00 175.10 174.50 3lo3 s GLY 8 N -0.15 1.63 0.24 2.32 0.00 -0.97 -1.38 107.32 109.01 3lo3 s GLY 8 Ca -0.03 -1.47 0.11 0.00 0.00 0.00 0.00 44.72 43.34 3lo3 s GLY 8 CO 0.04 0.53 -0.21 0.48 0.00 0.00 0.00 173.10 173.94 3lo3 s LEU 9 N 1.33 2.52 -0.22 0.66 -0.00 -0.11 -2.37 118.68 120.50 3lo3 s LEU 9 Ca 0.00 -0.96 -0.04 0.00 -0.00 0.00 0.00 54.13 53.13 3lo3 s LEU 9 Cb -0.17 -1.07 0.08 0.00 -0.00 0.00 0.00 46.19 45.04 3lo3 s LEU 9 CO -0.04 0.04 0.14 -0.89 -0.00 0.00 0.00 176.35 175.60 3lo3 s THR 10 N -2.24 -0.14 0.23 5.48 2.01 0.75 -1.93 115.64 119.81 3lo3 s THR 10 Ca 0.25 -0.35 -0.32 0.00 0.31 0.00 0.00 61.69 61.58 3lo3 s THR 10 Cb -0.06 -0.73 -0.13 0.00 0.01 0.00 0.00 72.50 71.59 3lo3 s THR 10 CO 0.12 -0.41 1.51 -2.65 -0.69 0.00 0.00 174.62 172.49 3lo3 n PRO 11 N 5.28 2.25 0.00 4.92 -0.02 -1.26 -1.56 135.00 144.60 3lo3 n PRO 11 Ca -0.06 0.80 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3lo3 n PRO 11 Cb 0.47 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 3lo3 n PRO 11 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3lo3 n LYS 12 N 2.49 0.00 -3.30 -0.52 5.02 0.31 -4.87 118.16 117.30 3lo3 n LYS 12 Ca 0.12 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.00 3lo3 n LYS 12 Cb 0.32 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.25 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 -0.46 6.25 0.14 4.39 3.68 -1.06 -4.98 116.67 124.63 3lo3 s ASP 13 Ca 0.00 -0.24 -0.19 0.00 2.13 0.00 0.00 52.55 54.25 3lo3 s ASP 13 Cb 0.00 -2.24 -0.00 0.00 -1.45 0.00 0.00 42.92 39.23 3lo3 s ASP 13 CO 0.00 -0.48 1.70 0.00 0.13 0.00 0.00 175.17 176.52 3lo3 h ALA 14 N 8.54 0.17 -0.21 3.66 0.00 -1.93 0.81 119.26 130.29 3lo3 h ALA 14 Ca -0.28 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 3lo3 h ALA 14 Cb 1.13 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3lo3 h ALA 14 CO 0.76 -0.46 0.09 1.49 0.00 0.00 0.00 179.25 181.13 3lo3 h GLU 15 N 0.01 0.32 -0.13 0.00 4.81 -1.97 0.12 114.58 117.74 3lo3 h GLU 15 Ca 0.12 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.32 3lo3 h GLU 15 Cb 0.17 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 3lo3 h GLU 15 CO -0.24 0.37 -0.06 0.87 -0.73 0.00 0.00 179.01 179.21 3lo3 h LYS 16 N 0.20 -0.05 -0.77 1.92 6.56 -1.81 -1.32 116.57 121.31 3lo3 h LYS 16 Ca 0.07 0.00 0.07 0.00 -1.06 0.00 0.00 60.65 59.73 3lo3 h LYS 16 Cb 0.16 0.01 -0.05 0.00 -0.57 0.00 0.00 32.23 31.79 3lo3 h LYS 16 CO -0.01 -0.03 0.50 1.25 -2.06 0.00 0.00 179.45 179.10 3lo3 h LEU 17 N -0.05 0.72 -0.53 2.94 7.12 0.11 -0.42 115.31 125.20 3lo3 h LEU 17 Ca 0.07 0.00 -0.16 0.00 0.13 0.00 0.00 57.88 57.92 3lo3 h LEU 17 Cb 0.16 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.13 3lo3 h LEU 17 CO -0.16 0.46 -0.70 0.06 -0.13 0.00 0.00 178.44 177.96 3lo3 h GLN 18 N 0.81 0.19 -0.05 1.25 3.07 -0.40 -1.55 115.11 118.44 3lo3 h GLN 18 Ca 0.33 -0.16 -0.00 0.00 0.09 0.00 0.00 58.65 58.91 3lo3 h GLN 18 Cb 0.25 0.03 -0.00 0.00 0.08 0.00 0.00 27.48 27.84 3lo3 h GLN 18 CO -0.11 0.82 0.03 1.96 0.09 0.00 0.00 178.83 181.61 3lo3 h GLN 19 N 0.13 0.06 0.49 0.06 4.20 0.06 -2.73 115.11 117.39 3lo3 h GLN 19 Ca -0.02 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.67 3lo3 h GLN 19 Cb 1.25 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.00 3lo3 h GLN 19 CO 0.11 0.08 -0.42 -0.92 -0.67 0.00 0.00 178.83 177.01 3lo3 h TYR 20 N 0.02 -1.14 -0.49 2.96 3.20 -1.37 -2.93 116.97 117.23 3lo3 h TYR 20 Ca 0.02 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.96 3lo3 h TYR 20 Cb 0.04 0.43 -0.07 0.00 1.54 0.00 0.00 36.73 38.67 3lo3 h TYR 20 CO -0.06 -0.59 -0.22 0.41 -1.64 0.00 0.00 178.16 176.06 3lo3 n GLY 21 N -1.52 -1.08 0.22 1.82 0.00 -0.59 -1.62 105.19 102.42 3lo3 n GLY 21 Ca -0.11 0.56 -0.14 0.00 0.00 0.00 0.00 46.02 46.32 3lo3 n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lo3 h ALA 22 N 0.56 0.41 0.00 4.61 0.00 -1.30 -3.08 119.26 120.46 3lo3 h ALA 22 Ca 0.14 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3lo3 h ALA 22 Cb 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3lo3 h ALA 22 CO -0.48 0.50 0.00 0.54 0.00 0.00 0.00 179.25 179.82 3lo3 n ARG 23 N -4.19 0.16 0.29 0.00 5.12 -0.64 -4.17 116.66 113.24 3lo3 n ARG 23 Ca -0.04 0.03 -0.14 0.00 -1.93 0.00 0.00 57.85 55.77 3lo3 n ARG 23 Cb 0.53 -1.50 -0.07 0.00 -1.16 0.00 0.00 32.46 30.26 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 0.23 -0.92 1.55 2.07 -1.41 -3.24 116.25 114.53 3lo3 h VAL 24 Ca 0.00 -0.40 0.31 0.00 0.82 0.00 0.00 66.70 67.43 3lo3 h VAL 24 Cb 0.38 0.32 -0.17 0.00 -1.52 0.00 0.00 31.29 30.30 3lo3 h VAL 24 CO 0.00 0.04 0.22 0.00 0.02 0.00 0.00 177.57 177.84 3lo3 n ALA 25 N -2.63 0.67 -0.35 1.67 0.00 -1.26 -0.11 120.51 118.50 3lo3 n ALA 25 Ca -0.11 0.97 0.02 0.00 0.00 0.00 0.00 53.44 54.32 3lo3 n ALA 25 Cb 0.33 -0.81 0.17 0.00 0.00 0.00 0.00 19.45 19.14 3lo3 n ALA 25 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3lo3 h SER 26 N 0.00 0.98 0.73 0.00 0.87 -1.81 -1.22 113.55 113.10 3lo3 h SER 26 Ca 0.65 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 61.22 3lo3 h SER 26 Cb 1.53 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 3lo3 h SER 26 CO -0.80 0.62 0.00 0.35 -0.53 0.00 0.00 176.83 176.47 3lo3 n THR 27 N -4.54 0.82 0.05 2.23 -2.24 0.85 -3.57 114.28 107.89 3lo3 n THR 27 Ca 0.15 0.24 -0.22 0.00 -2.27 0.00 0.00 64.05 61.95 3lo3 n THR 27 Cb 0.19 -1.18 -0.15 0.00 -2.10 0.00 0.00 70.33 67.09 3lo3 n THR 27 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3lo3 h LEU 28 N 0.00 0.52 -0.85 3.22 3.38 -1.20 -3.38 115.31 116.99 3lo3 h LEU 28 Ca 0.00 -0.91 0.11 0.00 0.09 0.00 0.00 57.88 57.17 3lo3 h LEU 28 Cb 0.36 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.86 3lo3 h LEU 28 CO 0.00 1.60 0.48 0.00 0.09 0.00 0.00 178.44 180.62 3lo3 h ALA 29 N 0.05 1.24 0.00 1.53 0.00 -1.60 0.84 119.26 121.32 3lo3 h ALA 29 Ca -0.26 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3lo3 h ALA 29 Cb 1.85 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.53 3lo3 h ALA 29 CO 0.14 0.07 0.00 -0.22 0.00 0.00 0.00 179.25 179.24 3lo3 h LYS 30 N 0.78 0.00 -0.16 0.00 3.64 -1.76 -0.50 116.57 118.57 3lo3 h LYS 30 Ca 0.43 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 3lo3 h LYS 30 Cb 0.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3lo3 h LYS 30 CO -0.28 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.56 3lo3 n TYR 31 N -2.93 0.21 -3.74 1.91 4.01 0.10 -4.98 117.16 111.74 3lo3 n TYR 31 Ca -0.02 -0.43 -0.30 0.00 -0.16 0.00 0.00 57.90 56.99 3lo3 n TYR 31 Cb 0.11 -0.03 0.03 0.00 -0.31 0.00 0.00 39.34 39.14 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 0.09 -4.18 -4.90 7.72 7.64 -0.20 -4.67 113.62 115.12 3lo3 n SER 32 Ca 0.06 -1.01 -0.32 0.00 1.01 0.00 0.00 58.87 58.61 3lo3 n SER 32 Cb 0.32 -3.33 -0.05 0.00 -1.01 0.00 0.00 64.21 60.14 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 -3.68 2.22 -0.04 0.23 0.00 -0.10 -4.09 107.32 101.86 3lo3 s GLY 33 Ca 0.37 -0.67 -0.09 0.00 0.00 0.00 0.00 44.72 44.33 3lo3 s GLY 33 CO 0.87 -0.60 0.21 1.85 0.00 0.00 0.00 173.10 175.43 3lo3 s GLU 34 N -2.42 0.41 -0.60 2.90 2.12 -0.86 -4.54 118.70 115.71 3lo3 s GLU 34 Ca 0.36 -0.02 -0.25 0.00 0.36 0.00 0.00 54.97 55.42 3lo3 s GLU 34 Cb -0.13 0.18 0.04 0.00 0.26 0.00 0.00 34.13 34.49 3lo3 s GLU 34 CO 0.24 -0.09 1.04 0.08 -0.54 0.00 0.00 175.26 176.00 3lo3 s VAL 35 N -0.65 4.21 0.07 3.70 1.01 -1.26 -0.67 120.40 126.81 3lo3 s VAL 35 Ca -0.07 0.33 -0.19 0.00 0.00 0.00 0.00 61.98 62.05 3lo3 s VAL 35 Cb -0.04 -4.65 -0.11 0.00 0.00 0.00 0.00 36.38 31.58 3lo3 s VAL 35 CO 0.01 -1.31 1.43 0.25 0.00 0.00 0.00 175.10 175.49 3lo3 h LEU 36 N 11.50 0.44 -7.00 3.92 5.85 -0.70 -3.47 115.31 125.86 3lo3 h LEU 36 Ca -0.27 -0.40 0.00 0.00 0.84 0.00 0.00 57.88 58.06 3lo3 h LEU 36 Cb 1.07 -0.12 -0.21 0.00 0.37 0.00 0.00 40.66 41.76 3lo3 h LEU 36 CO 1.15 0.74 0.34 0.54 -0.34 0.00 0.00 178.44 180.87 3lo3 s VAL 37 N -4.63 0.00 0.07 1.05 0.11 -1.21 -4.97 120.40 110.81 3lo3 s VAL 37 Ca -0.14 0.00 0.09 0.00 -2.93 0.00 0.00 61.98 59.00 3lo3 s VAL 37 Cb 0.07 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.88 3lo3 s VAL 37 CO 0.76 0.00 -0.25 -0.54 -3.33 0.00 0.00 175.10 171.74 3lo3 s LYS 38 N -0.95 1.57 0.00 1.54 1.02 -1.26 -1.40 119.74 120.26 3lo3 s LYS 38 Ca -0.06 -1.13 0.00 0.00 0.02 0.00 0.00 55.97 54.80 3lo3 s LYS 38 Cb -0.01 -1.81 0.00 0.00 -0.52 0.00 0.00 37.83 35.49 3lo3 s LYS 38 CO 0.05 0.45 0.00 0.41 -0.92 0.00 0.00 175.35 175.35 3lo3 n GLY 39 N 1.55 2.80 3.75 -3.33 0.00 -0.77 -5.00 105.19 104.20 3lo3 n GLY 39 Ca -0.17 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 44.93 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 5.19 0.06 1.61 1.04 -1.26 -0.98 113.70 119.36 3lo3 s SER 40 Ca 0.00 2.40 0.00 0.00 0.48 0.00 0.00 55.95 58.84 3lo3 s SER 40 Cb 0.00 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.48 3lo3 s SER 40 CO 0.00 -1.59 0.19 0.68 0.98 0.00 0.00 173.24 173.50 3lo3 s VAL 41 N -1.58 5.28 -0.16 5.02 -7.23 -0.48 -4.88 120.40 116.38 3lo3 s VAL 41 Ca 0.77 -0.43 -0.00 0.00 -1.81 0.00 0.00 61.98 60.51 3lo3 s VAL 41 Cb -0.31 -3.57 -0.00 0.00 0.56 0.00 0.00 36.38 33.06 3lo3 s VAL 41 CO 0.33 0.14 -0.14 -0.70 -0.31 0.00 0.00 175.10 174.42 3lo3 s GLU 42 N -2.48 3.24 -0.05 4.82 2.12 -1.26 -4.96 118.70 120.13 3lo3 s GLU 42 Ca 0.34 -0.74 -0.30 0.00 0.36 0.00 0.00 54.97 54.63 3lo3 s GLU 42 Cb -0.13 -2.65 -0.04 0.00 0.26 0.00 0.00 34.13 31.58 3lo3 s GLU 42 CO 0.27 0.02 1.24 -1.14 -0.54 0.00 0.00 175.26 175.10 3lo3 s GLN 43 N 0.83 4.33 -0.19 4.30 2.00 -1.26 -4.91 119.66 124.75 3lo3 s GLN 43 Ca -0.05 1.72 0.12 0.00 -2.00 0.00 0.00 55.36 55.16 3lo3 s GLN 43 Cb -0.15 -3.57 -0.23 0.00 0.80 0.00 0.00 33.01 29.86 3lo3 s GLN 43 CO -0.00 -0.48 0.07 1.28 -0.50 0.00 0.00 175.29 175.66 3lo3 n LEU 44 N 5.29 0.94 -3.72 3.68 4.77 -1.26 -5.00 117.00 121.70 3lo3 n LEU 44 Ca 0.11 0.02 -0.14 0.00 -0.03 0.00 0.00 56.01 55.98 3lo3 n LEU 44 Cb 0.46 0.05 -0.09 0.00 -2.33 0.00 0.00 43.42 41.50 3lo3 n LEU 44 CO 0.56 0.61 0.10 -2.28 -1.33 0.00 0.00 177.39 175.05 3lo3 s HIS 45 N -2.51 -0.39 0.00 -1.77 5.04 -1.26 -5.14 115.29 109.26 3lo3 s HIS 45 Ca -0.16 0.85 0.00 0.00 -1.54 0.00 0.00 55.06 54.21 3lo3 s HIS 45 Cb 0.07 0.16 0.00 0.00 0.04 0.00 0.00 32.58 32.85 3lo3 s HIS 45 CO 0.77 -0.31 0.00 0.41 -2.34 0.00 0.00 174.74 173.27 3lo3 n GLY 46 N 2.17 -1.15 3.08 1.59 0.00 -1.26 -4.82 105.19 104.80 3lo3 n GLY 46 Ca -0.16 -1.24 -0.22 0.00 0.00 0.00 0.00 46.02 44.39 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 1.14 -0.13 1.61 1.02 -1.26 -5.04 119.74 117.08 3lo3 s LYS 47 Ca 0.00 -0.46 0.03 0.00 0.02 0.00 0.00 55.97 55.55 3lo3 s LYS 47 Cb 0.00 -1.08 0.01 0.00 -0.52 0.00 0.00 37.83 36.24 3lo3 s LYS 47 CO 0.00 0.25 -0.22 0.12 -0.92 0.00 0.00 175.35 174.58 3lo3 s PHE 48 N -0.18 2.66 -0.37 3.18 5.36 -1.26 -5.02 117.98 122.35 3lo3 s PHE 48 Ca 0.03 -1.25 0.26 0.00 -0.96 0.00 0.00 56.93 55.01 3lo3 s PHE 48 Cb -0.06 -1.80 1.05 0.00 -0.34 0.00 0.00 43.02 41.87 3lo3 s PHE 48 CO -0.00 -0.55 1.77 1.05 -1.46 0.00 0.00 175.22 176.02 3lo3 h GLU 49 N 7.18 0.00 -6.25 10.12 4.11 -2.01 -3.45 114.58 124.27 3lo3 h GLU 49 Ca -0.29 0.00 -0.54 0.00 0.07 0.00 0.00 59.36 58.60 3lo3 h GLU 49 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 3lo3 h GLU 49 CO 0.54 0.00 -0.21 -1.01 0.07 0.00 0.00 179.01 178.40 3lo3 s HIS 50 N -3.38 1.54 -0.15 2.06 3.76 -1.26 -5.02 115.29 112.83 3lo3 s HIS 50 Ca 0.04 -0.79 0.13 0.00 -0.15 0.00 0.00 55.06 54.30 3lo3 s HIS 50 Cb 0.09 -2.05 -0.19 0.00 1.11 0.00 0.00 32.58 31.55 3lo3 s HIS 50 CO 0.43 -0.78 0.05 1.63 -0.85 0.00 0.00 174.74 175.23 3lo3 n LYS 51 N -1.98 1.50 -3.96 1.40 5.02 -0.81 -4.95 118.16 114.39 3lo3 n LYS 51 Ca 0.06 -0.01 -0.09 0.00 -2.02 0.00 0.00 58.31 56.25 3lo3 n LYS 51 Cb 0.63 -1.39 -0.03 0.00 -0.02 0.00 0.00 35.03 34.21 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 -2.37 -0.38 0.00 7.82 0.00 -1.11 -1.38 121.76 124.34 3lo3 s ALA 52 Ca -0.08 -0.82 -0.03 0.00 0.00 0.00 0.00 51.96 51.03 3lo3 s ALA 52 Cb 0.05 0.99 -0.01 0.00 0.00 0.00 0.00 23.12 24.14 3lo3 s ALA 52 CO 0.62 -0.90 0.06 -0.65 0.00 0.00 0.00 175.76 174.89 3lo3 s GLN 53 N -3.66 0.34 0.01 0.00 -1.52 -0.15 -0.93 119.66 113.75 3lo3 s GLN 53 Ca 0.20 -0.40 0.03 0.00 -1.95 0.00 0.00 55.36 53.24 3lo3 s GLN 53 Cb -0.02 0.14 -0.01 0.00 -0.22 0.00 0.00 33.01 32.89 3lo3 s GLN 53 CO 0.10 -0.07 -0.10 0.08 -0.25 0.00 0.00 175.29 175.05 3lo3 s VAL 54 N -1.17 0.78 -0.18 1.09 1.01 -0.48 -1.84 120.40 119.61 3lo3 s VAL 54 Ca -0.13 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.22 3lo3 s VAL 54 Cb -0.07 -0.70 0.03 0.00 0.00 0.00 0.00 36.38 35.64 3lo3 s VAL 54 CO 0.00 0.06 -0.17 -0.63 0.00 0.00 0.00 175.10 174.36 3lo3 s ILE 55 N -0.55 1.92 0.29 2.22 1.01 -0.49 -1.38 121.20 124.22 3lo3 s ILE 55 Ca 0.01 -0.95 -0.06 0.00 0.00 0.00 0.00 60.65 59.65 3lo3 s ILE 55 Cb -0.06 -1.80 -0.05 0.00 0.01 0.00 0.00 42.46 40.56 3lo3 s ILE 55 CO 0.00 0.42 0.57 -0.76 0.00 0.00 0.00 174.94 175.18 3lo3 s LEU 56 N 1.33 4.05 -0.09 2.97 2.01 -0.32 0.06 118.68 128.68 3lo3 s LEU 56 Ca 0.03 0.76 -0.02 0.00 0.01 0.00 0.00 54.13 54.92 3lo3 s LEU 56 Cb -0.14 -3.58 0.03 0.00 0.01 0.00 0.00 46.19 42.51 3lo3 s LEU 56 CO -0.11 -0.20 0.01 -0.70 1.01 0.00 0.00 176.35 176.36 3lo3 s GLU 57 N -3.52 0.58 0.13 1.70 2.12 0.15 -1.96 118.70 117.90 3lo3 s GLU 57 Ca 0.45 0.03 0.09 0.00 0.36 0.00 0.00 54.97 55.90 3lo3 s GLU 57 Cb -0.11 -1.17 -0.04 0.00 0.26 0.00 0.00 34.13 33.08 3lo3 s GLU 57 CO 0.29 -0.37 -0.16 -0.06 -0.54 0.00 0.00 175.26 174.42 3lo3 s PHE 58 N 1.97 2.55 0.54 5.30 0.08 0.13 -2.03 117.98 126.51 3lo3 s PHE 58 Ca 0.04 -0.26 0.36 0.00 0.12 0.00 0.00 56.93 57.19 3lo3 s PHE 58 Cb -0.13 -1.32 1.96 0.00 -0.57 0.00 0.00 43.02 42.96 3lo3 s PHE 58 CO -0.06 0.42 2.24 -1.35 -0.10 0.00 0.00 175.22 176.38 3lo3 h PRO 59 N 3.53 0.00 -3.77 0.24 0.11 -1.83 0.62 132.00 130.89 3lo3 h PRO 59 Ca -0.49 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 3lo3 h PRO 59 Cb 1.18 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.15 3lo3 h PRO 59 CO 0.48 0.02 -0.36 -1.54 -0.21 0.00 0.00 178.00 176.39 3lo3 s SER 60 N -5.69 0.10 0.44 -2.05 1.04 -1.26 -4.15 113.70 102.13 3lo3 s SER 60 Ca -0.04 -0.62 0.21 0.00 0.48 0.00 0.00 55.95 55.99 3lo3 s SER 60 Cb 0.13 0.34 1.02 0.00 0.10 0.00 0.00 66.02 67.61 3lo3 s SER 60 CO 0.50 -0.72 1.90 -0.09 0.98 0.00 0.00 173.24 175.81 3lo3 h ARG 61 N 2.81 0.00 -0.05 4.02 2.43 -1.85 -2.24 114.38 119.49 3lo3 h ARG 61 Ca -0.34 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.81 3lo3 h ARG 61 Cb 1.20 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3lo3 h ARG 61 CO 0.55 0.25 -0.04 0.93 -1.51 0.00 0.00 179.97 180.15 3lo3 h GLU 62 N 0.00 0.12 -0.76 0.20 5.08 -1.95 -0.78 114.58 116.49 3lo3 h GLU 62 Ca -0.00 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.37 3lo3 h GLU 62 Cb 0.60 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.79 3lo3 h GLU 62 CO 0.03 0.55 0.43 -0.44 -1.00 0.00 0.00 179.01 178.59 3lo3 h ASP 63 N -0.31 0.65 -0.75 1.42 3.32 -1.86 0.77 116.42 119.65 3lo3 h ASP 63 Ca 0.01 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.03 3lo3 h ASP 63 Cb 0.53 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.95 3lo3 h ASP 63 CO 0.01 0.40 0.23 0.00 -1.72 0.00 0.00 179.24 178.17 3lo3 h ALA 64 N 1.39 0.99 0.03 3.45 0.00 -1.32 -1.15 119.26 122.65 3lo3 h ALA 64 Ca 0.35 -0.23 -0.26 0.00 0.00 0.00 0.00 54.91 54.77 3lo3 h ALA 64 Cb 0.24 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.75 3lo3 h ALA 64 CO -0.20 0.67 -1.06 -0.92 0.00 0.00 0.00 179.25 177.74 3lo3 h TYR 65 N 1.12 0.85 -0.78 0.00 3.20 0.02 -3.09 116.97 118.29 3lo3 h TYR 65 Ca 0.24 -0.48 -0.04 0.00 3.14 0.00 0.00 58.73 61.59 3lo3 h TYR 65 Cb 0.31 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 3lo3 h TYR 65 CO 0.03 1.32 0.34 -0.91 -1.64 0.00 0.00 178.16 177.30 3lo3 h ASN 66 N 0.30 1.04 0.28 -2.11 2.35 0.59 -2.80 115.58 115.23 3lo3 h ASN 66 Ca -0.12 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.46 3lo3 h ASN 66 Cb 1.71 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.80 3lo3 h ASN 66 CO 0.20 0.91 -0.26 -0.25 -1.65 0.00 0.00 177.43 176.38 3lo3 h TRP 67 N 1.11 -0.71 -1.06 1.19 7.01 -1.24 0.15 115.95 122.39 3lo3 h TRP 67 Ca 0.26 0.00 0.28 0.00 2.11 0.00 0.00 58.89 61.55 3lo3 h TRP 67 Cb 0.17 0.27 -0.08 0.00 -2.10 0.00 0.00 29.16 27.42 3lo3 h TRP 67 CO 0.02 -0.35 0.71 -0.92 -2.79 0.00 0.00 178.44 175.11 3lo3 h TYR 68 N -0.53 0.45 -0.63 2.65 3.20 -1.46 0.72 116.97 121.37 3lo3 h TYR 68 Ca -0.04 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 3lo3 h TYR 68 Cb 0.45 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.59 3lo3 h TYR 68 CO -0.14 0.04 0.00 0.72 -1.64 0.00 0.00 178.16 177.14 3lo3 n HIS 69 N -4.49 1.54 -1.69 -3.82 8.25 -1.06 -4.32 115.22 109.63 3lo3 n HIS 69 Ca 0.25 -0.63 -0.30 0.00 -0.26 0.00 0.00 57.72 56.78 3lo3 n HIS 69 Cb 0.97 -0.28 0.08 0.00 1.12 0.00 0.00 29.99 31.88 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 -0.92 4.80 -0.05 0.41 1.04 0.25 -4.88 113.70 114.35 3lo3 s SER 70 Ca 0.51 1.20 -0.19 0.00 0.48 0.00 0.00 55.95 57.96 3lo3 s SER 70 Cb 0.34 -1.94 -0.31 0.00 0.10 0.00 0.00 66.02 64.21 3lo3 s SER 70 CO 0.23 -1.76 0.81 -0.33 0.98 0.00 0.00 173.24 173.17 3lo3 h GLU 71 N -0.95 0.33 -0.31 4.02 4.39 -1.89 -0.18 114.58 119.99 3lo3 h GLU 71 Ca -0.46 -0.57 0.09 0.00 0.34 0.00 0.00 59.36 58.76 3lo3 h GLU 71 Cb 1.27 0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 30.12 3lo3 h GLU 71 CO 0.61 1.27 0.24 1.05 -1.16 0.00 0.00 179.01 181.03 3lo3 h GLU 72 N -0.24 0.00 0.00 2.33 9.09 -1.94 -1.63 114.58 122.19 3lo3 h GLU 72 Ca -0.22 0.00 -0.08 0.00 0.05 0.00 0.00 59.36 59.11 3lo3 h GLU 72 Cb 1.79 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.88 3lo3 h GLU 72 CO 0.15 0.00 -0.56 -0.92 0.05 0.00 0.00 179.01 177.73 3lo3 h TYR 73 N 0.00 0.00 -0.63 2.06 3.20 -1.82 -3.35 116.97 116.43 3lo3 h TYR 73 Ca 0.15 0.00 0.18 0.00 3.14 0.00 0.00 58.73 62.20 3lo3 h TYR 73 Cb 0.63 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.87 3lo3 h TYR 73 CO 0.00 0.83 0.62 1.96 -1.64 0.00 0.00 178.16 179.92 3lo3 h GLN 74 N -1.00 0.00 -0.04 1.82 1.08 -0.92 0.58 115.11 116.63 3lo3 h GLN 74 Ca -0.13 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.03 3lo3 h GLN 74 Cb 0.86 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.28 3lo3 h GLN 74 CO -0.08 0.00 -0.16 0.00 -0.95 0.00 0.00 178.83 177.64 3lo3 h ALA 75 N 1.36 1.65 0.00 3.87 0.00 -1.43 -2.88 119.26 121.84 3lo3 h ALA 75 Ca 0.30 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3lo3 h ALA 75 Cb 1.53 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3lo3 h ALA 75 CO -0.00 0.26 -0.40 -0.07 0.00 0.00 0.00 179.25 179.03 3lo3 h LEU 76 N 0.06 0.00 -0.34 0.00 3.38 0.00 -3.39 115.31 115.02 3lo3 h LEU 76 Ca 0.01 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.02 3lo3 h LEU 76 Cb 0.33 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 3lo3 h LEU 76 CO 0.02 0.01 -0.01 -0.29 0.09 0.00 0.00 178.44 178.26 3lo3 h ILE 77 N 0.00 0.73 -1.00 1.22 2.10 -1.50 -1.54 117.51 117.53 3lo3 h ILE 77 Ca 0.00 -0.03 0.12 0.00 1.08 0.00 0.00 64.86 66.03 3lo3 h ILE 77 Cb 0.94 0.64 -0.08 0.00 -1.09 0.00 0.00 36.82 37.23 3lo3 h ILE 77 CO 0.00 0.01 0.63 0.77 -1.08 0.00 0.00 178.15 178.48 3lo3 h SER 78 N 0.08 0.91 0.74 2.19 4.64 -1.79 0.10 113.55 120.42 3lo3 h SER 78 Ca 0.17 0.05 -0.20 0.00 -0.47 0.00 0.00 61.79 61.33 3lo3 h SER 78 Cb 0.23 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 3lo3 h SER 78 CO -0.29 0.49 -0.93 0.00 -0.87 0.00 0.00 176.83 175.22 3lo3 h THR 79 N 0.98 1.57 -0.12 2.95 1.03 -1.75 -3.06 112.91 114.51 3lo3 h THR 79 Ca 0.49 -2.88 -0.01 0.00 -0.01 0.00 0.00 66.41 64.01 3lo3 h THR 79 Cb 0.50 2.61 -0.01 0.00 -1.07 0.00 0.00 68.15 70.18 3lo3 h THR 79 CO -0.26 0.83 0.05 -0.09 -0.01 0.00 0.00 175.52 176.04 3lo3 h ARG 80 N 0.05 0.18 -0.22 0.00 2.43 -0.20 0.21 114.38 116.84 3lo3 h ARG 80 Ca -0.04 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.17 3lo3 h ARG 80 Cb 1.60 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.11 3lo3 h ARG 80 CO 0.13 0.27 0.24 -0.44 -1.51 0.00 0.00 179.97 178.66 3lo3 h ASP 81 N 0.05 0.00 0.16 -3.80 3.45 -0.88 0.16 116.42 115.56 3lo3 h ASP 81 Ca 0.04 0.00 -0.24 0.00 0.43 0.00 0.00 57.03 57.26 3lo3 h ASP 81 Cb 0.15 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 38.94 3lo3 h ASP 81 CO -0.00 0.00 -1.09 -0.07 -1.57 0.00 0.00 179.24 176.50 3lo3 h LEU 82 N 0.00 0.54 -1.84 1.55 3.38 -1.31 -3.42 115.31 114.21 3lo3 h LEU 82 Ca 0.11 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.15 3lo3 h LEU 82 Cb 0.58 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3lo3 h LEU 82 CO -0.00 1.52 0.00 1.23 0.09 0.00 0.00 178.44 181.27 3lo3 h GLY 83 N -0.15 0.00 -5.15 0.83 0.00 0.24 -3.21 103.07 95.62 3lo3 h GLY 83 Ca -0.20 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.54 3lo3 h GLY 83 CO 0.16 0.00 -0.85 0.99 0.00 0.00 0.00 176.54 176.85 3lo3 s ASP 85 N -5.24 2.35 0.31 0.19 1.11 -0.60 0.11 116.67 114.90 3lo3 s ASP 85 Ca -0.01 -0.38 -0.09 0.00 0.18 0.00 0.00 52.55 52.25 3lo3 s ASP 85 Cb 0.10 -0.60 0.04 0.00 1.07 0.00 0.00 42.92 43.52 3lo3 s ASP 85 CO 0.46 0.18 0.57 -1.54 1.18 0.00 0.00 175.17 176.03 3lo3 n SER 86 N 3.04 -1.65 -3.78 0.27 3.41 -1.26 -0.18 113.62 113.47 3lo3 n SER 86 Ca -0.18 -2.39 -0.13 0.00 -0.26 0.00 0.00 58.87 55.92 3lo3 n SER 86 Cb 0.53 2.82 -0.12 0.00 -0.26 0.00 0.00 64.21 67.18 3lo3 n SER 86 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3lo3 s GLN 87 N -2.26 0.30 -0.27 4.33 -2.07 -1.00 -4.97 119.66 113.72 3lo3 s GLN 87 Ca 0.17 0.36 0.02 0.00 -1.82 0.00 0.00 55.36 54.09 3lo3 s GLN 87 Cb -0.03 0.14 0.07 0.00 -1.09 0.00 0.00 33.01 32.10 3lo3 s GLN 87 CO 0.12 -0.04 -0.05 -0.06 -1.32 0.00 0.00 175.29 173.94 3lo3 s PHE 88 N 0.17 2.94 -0.22 9.60 2.99 -1.26 -2.29 117.98 129.91 3lo3 s PHE 88 Ca -0.00 -2.20 -0.13 0.00 0.00 0.00 0.00 56.93 54.60 3lo3 s PHE 88 Cb -0.02 -1.96 -0.05 0.00 0.00 0.00 0.00 43.02 40.99 3lo3 s PHE 88 CO 0.00 -0.85 0.26 -0.65 -0.00 0.00 0.00 175.22 173.98 3lo3 s GLN 89 N 1.20 4.12 -0.37 0.44 1.11 0.06 -4.92 119.66 121.30 3lo3 s GLN 89 Ca -0.03 -0.07 -0.14 0.00 0.01 0.00 0.00 55.36 55.12 3lo3 s GLN 89 Cb -0.19 -3.53 -0.00 0.00 -1.01 0.00 0.00 33.01 28.27 3lo3 s GLN 89 CO -0.07 0.03 0.30 -1.17 0.01 0.00 0.00 175.29 174.39 3lo3 s LEU 90 N 1.14 4.70 -0.13 2.90 2.96 -1.26 -0.18 118.68 128.81 3lo3 s LEU 90 Ca 0.12 -0.54 -0.01 0.00 -0.22 0.00 0.00 54.13 53.48 3lo3 s LEU 90 Cb -0.14 -2.21 -0.02 0.00 0.50 0.00 0.00 46.19 44.32 3lo3 s LEU 90 CO 0.06 -0.35 -0.11 0.27 -1.32 0.00 0.00 176.35 174.90 3lo3 s ILE 91 N 1.81 3.27 0.00 6.68 -4.36 -0.89 -5.05 121.20 122.67 3lo3 s ILE 91 Ca 0.08 -0.58 0.00 0.00 -0.26 0.00 0.00 60.65 59.88 3lo3 s ILE 91 Cb -0.18 -2.39 0.00 0.00 1.25 0.00 0.00 42.46 41.14 3lo3 s ILE 91 CO 0.11 0.52 0.00 0.61 0.24 0.00 0.00 174.94 176.42