#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 5.41 -1.28 6.43 4.22 -1.26 -5.04 114.94 123.42 3lo3 s ASN 0 Ca 0.00 -0.34 -0.09 0.00 -2.14 0.00 0.00 52.86 50.28 3lo3 s ASN 0 Cb 0.00 -1.25 0.17 0.00 1.28 0.00 0.00 41.25 41.45 3lo3 s ASN 0 CO 0.00 -0.13 1.86 0.00 -2.04 0.00 0.00 177.10 176.79 3lo3 n ALA 1 N -1.22 5.33 -1.64 3.54 0.00 -1.26 -5.00 120.51 120.26 3lo3 n ALA 1 Ca -0.06 -4.32 -0.39 0.00 0.00 0.00 0.00 53.44 48.67 3lo3 n ALA 1 Cb 0.58 -2.98 0.04 0.00 0.00 0.00 0.00 19.45 17.10 3lo3 n ALA 1 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3lo3 n THR 2 N 3.34 3.34 -4.34 0.00 5.66 -1.26 -4.34 114.28 116.68 3lo3 n THR 2 Ca 0.39 -0.50 -0.29 0.00 -3.05 0.00 0.00 64.05 60.60 3lo3 n THR 2 Cb 0.36 -1.26 -0.11 0.00 -1.55 0.00 0.00 70.33 67.77 3lo3 n THR 2 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3lo3 s ALA 3 N -1.41 2.67 0.11 1.79 0.00 0.81 -4.80 121.76 120.94 3lo3 s ALA 3 Ca 0.71 -1.34 0.07 0.00 0.00 0.00 0.00 51.96 51.41 3lo3 s ALA 3 Cb -0.45 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.98 3lo3 s ALA 3 CO 0.50 0.59 -0.18 0.71 0.00 0.00 0.00 175.76 177.38 3lo3 s TYR 4 N -1.12 1.65 -0.07 0.00 2.02 0.04 -0.50 117.35 119.37 3lo3 s TYR 4 Ca 0.18 -0.45 0.02 0.00 -0.37 0.00 0.00 57.07 56.45 3lo3 s TYR 4 Cb -0.11 -0.88 0.01 0.00 -0.40 0.00 0.00 41.96 40.58 3lo3 s TYR 4 CO 0.10 0.20 -0.14 0.42 -1.57 0.00 0.00 175.55 174.55 3lo3 s ILE 5 N -1.49 1.31 -0.14 2.71 1.01 -0.25 -0.65 121.20 123.69 3lo3 s ILE 5 Ca 0.07 -0.57 0.01 0.00 0.00 0.00 0.00 60.65 60.16 3lo3 s ILE 5 Cb -0.08 -1.18 -0.00 0.00 0.01 0.00 0.00 42.46 41.20 3lo3 s ILE 5 CO 0.04 0.39 -0.17 -0.63 0.00 0.00 0.00 174.94 174.58 3lo3 s ILE 6 N 0.64 2.60 -0.12 2.92 1.01 -0.46 -0.57 121.20 127.23 3lo3 s ILE 6 Ca -0.15 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 59.73 3lo3 s ILE 6 Cb -0.16 -2.08 0.01 0.00 0.01 0.00 0.00 42.46 40.23 3lo3 s ILE 6 CO 0.04 0.52 -0.22 0.54 0.00 0.00 0.00 174.94 175.83 3lo3 s VAL 7 N 0.67 1.96 -0.13 2.92 0.11 -0.37 -1.12 120.40 124.45 3lo3 s VAL 7 Ca -0.08 -0.94 -0.07 0.00 -2.93 0.00 0.00 61.98 57.96 3lo3 s VAL 7 Cb -0.16 -1.72 -0.04 0.00 -1.53 0.00 0.00 36.38 32.93 3lo3 s VAL 7 CO 0.02 0.53 0.12 -0.83 -3.33 0.00 0.00 175.10 171.61 3lo3 s GLY 8 N 0.61 2.09 0.24 6.54 0.00 -0.64 -1.48 107.32 114.68 3lo3 s GLY 8 Ca -0.13 -0.67 -0.11 0.00 0.00 0.00 0.00 44.72 43.81 3lo3 s GLY 8 CO 0.03 -0.31 0.42 0.48 0.00 0.00 0.00 173.10 173.72 3lo3 s LEU 9 N -0.75 0.46 -0.25 0.66 -0.00 -0.92 -0.51 118.68 117.38 3lo3 s LEU 9 Ca 0.13 -0.99 -0.02 0.00 -0.00 0.00 0.00 54.13 53.26 3lo3 s LEU 9 Cb -0.12 1.55 0.12 0.00 -0.00 0.00 0.00 46.19 47.74 3lo3 s LEU 9 CO 0.03 -1.08 0.31 -0.89 -0.00 0.00 0.00 176.35 174.72 3lo3 s THR 10 N -4.03 -0.47 0.25 5.48 2.01 0.80 -1.12 115.64 118.55 3lo3 s THR 10 Ca 0.24 -0.21 -0.30 0.00 0.31 0.00 0.00 61.69 61.73 3lo3 s THR 10 Cb 0.01 -0.84 -0.14 0.00 0.01 0.00 0.00 72.50 71.54 3lo3 s THR 10 CO 0.09 -0.25 1.14 -2.65 -0.69 0.00 0.00 174.62 172.25 3lo3 n PRO 11 N 5.34 1.45 0.00 4.92 -0.02 -1.26 -1.85 135.00 143.57 3lo3 n PRO 11 Ca -0.03 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3lo3 n PRO 11 Cb 0.49 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 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 1.26 0.00 -2.00 -0.52 5.02 -0.06 -4.84 118.16 117.03 3lo3 n LYS 12 Ca 0.11 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.98 3lo3 n LYS 12 Cb 0.30 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.28 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 0.50 6.41 -0.03 4.39 -1.08 -1.22 -4.92 116.67 120.72 3lo3 s ASP 13 Ca 0.00 1.94 -0.23 0.00 -0.52 0.00 0.00 52.55 53.74 3lo3 s ASP 13 Cb 0.00 -2.53 -0.22 0.00 -1.46 0.00 0.00 42.92 38.71 3lo3 s ASP 13 CO 0.00 -1.19 1.09 0.00 0.52 0.00 0.00 175.17 175.60 3lo3 h ALA 14 N 10.68 0.07 -0.19 3.66 0.00 -1.92 0.57 119.26 132.12 3lo3 h ALA 14 Ca -0.37 -0.47 0.05 0.00 0.00 0.00 0.00 54.91 54.12 3lo3 h ALA 14 Cb 1.18 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 3lo3 h ALA 14 CO 0.98 0.14 -0.34 1.49 0.00 0.00 0.00 179.25 181.52 3lo3 h GLU 15 N -0.34 -0.36 -0.93 0.00 4.81 -1.96 0.48 114.58 116.27 3lo3 h GLU 15 Ca -0.03 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.33 3lo3 h GLU 15 Cb 1.02 0.08 -0.07 0.00 0.63 0.00 0.00 28.75 30.41 3lo3 h GLU 15 CO 0.06 -0.24 0.60 0.87 -0.73 0.00 0.00 179.01 179.57 3lo3 h LYS 16 N -0.38 0.87 0.00 1.92 1.79 -1.90 0.41 116.57 119.29 3lo3 h LYS 16 Ca 0.11 -0.05 -0.08 0.00 -2.18 0.00 0.00 60.65 58.45 3lo3 h LYS 16 Cb 0.56 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 3lo3 h LYS 16 CO -0.40 0.58 -0.36 1.25 -1.08 0.00 0.00 179.45 179.44 3lo3 h LEU 17 N 0.90 0.00 -0.01 2.94 7.12 0.58 -3.06 115.31 123.78 3lo3 h LEU 17 Ca 0.45 0.00 -0.07 0.00 0.13 0.00 0.00 57.88 58.39 3lo3 h LEU 17 Cb 0.48 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.61 3lo3 h LEU 17 CO -0.21 0.36 -0.25 -0.61 -0.13 0.00 0.00 178.44 177.60 3lo3 h GLN 18 N 0.00 0.19 -0.83 1.25 4.15 0.19 -2.46 115.11 117.61 3lo3 h GLN 18 Ca -0.00 -0.19 0.19 0.00 0.77 0.00 0.00 58.65 59.42 3lo3 h GLN 18 Cb 1.03 0.05 -0.12 0.00 0.21 0.00 0.00 27.48 28.65 3lo3 h GLN 18 CO 0.05 0.90 0.29 1.96 -1.93 0.00 0.00 178.83 180.10 3lo3 h GLN 19 N -0.44 0.33 0.33 1.69 4.20 -1.07 -2.47 115.11 117.68 3lo3 h GLN 19 Ca -0.03 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 3lo3 h GLN 19 Cb 0.98 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.69 3lo3 h GLN 19 CO 0.05 0.22 -0.16 -0.92 -0.67 0.00 0.00 178.83 177.35 3lo3 h TYR 20 N 0.34 -0.41 -0.84 2.96 3.20 -1.56 -3.24 116.97 117.42 3lo3 h TYR 20 Ca 0.50 -0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.52 3lo3 h TYR 20 Cb 0.91 0.14 -0.16 0.00 1.54 0.00 0.00 36.73 39.16 3lo3 h TYR 20 CO -0.20 -0.07 -0.24 0.78 -1.64 0.00 0.00 178.16 176.79 3lo3 h GLY 21 N -0.92 0.51 2.00 1.82 0.00 -1.14 -2.05 103.07 103.30 3lo3 h GLY 21 Ca -0.05 0.31 -0.04 0.00 0.00 0.00 0.00 47.33 47.56 3lo3 h GLY 21 CO 0.07 -0.30 -0.18 0.00 0.00 0.00 0.00 176.54 176.13 3lo3 h ALA 22 N 1.74 1.04 -0.50 3.60 0.00 -1.51 -2.64 119.26 120.99 3lo3 h ALA 22 Ca 0.39 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3lo3 h ALA 22 Cb 0.61 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3lo3 h ALA 22 CO -0.87 0.22 0.00 0.54 0.00 0.00 0.00 179.25 179.14 3lo3 n ARG 23 N -3.36 3.85 -0.00 0.00 1.74 -0.78 -4.49 116.66 113.62 3lo3 n ARG 23 Ca 0.00 -2.90 -0.21 0.00 -0.77 0.00 0.00 57.85 53.97 3lo3 n ARG 23 Cb 0.39 -1.96 -0.14 0.00 -1.02 0.00 0.00 32.46 29.74 3lo3 n ARG 23 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3lo3 n VAL 24 N 0.49 1.76 -0.13 1.55 0.31 -1.00 -4.22 118.33 117.09 3lo3 n VAL 24 Ca 0.24 -0.66 -0.11 0.00 -0.01 0.00 0.00 64.34 63.80 3lo3 n VAL 24 Cb 0.96 -1.69 -0.06 0.00 -0.91 0.00 0.00 33.84 32.14 3lo3 n VAL 24 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3lo3 h ALA 25 N 0.10 -0.55 -0.66 3.52 0.00 -1.79 -0.59 119.26 119.30 3lo3 h ALA 25 Ca -0.43 0.04 0.20 0.00 0.00 0.00 0.00 54.91 54.73 3lo3 h ALA 25 Cb 2.03 0.98 -0.12 0.00 0.00 0.00 0.00 17.79 20.67 3lo3 h ALA 25 CO 0.08 -0.93 0.10 0.45 0.00 0.00 0.00 179.25 178.95 3lo3 n SER 26 N -5.40 -0.00 0.25 0.00 2.88 -1.26 0.59 113.62 110.68 3lo3 n SER 26 Ca -0.01 1.11 0.17 0.00 -1.33 0.00 0.00 58.87 58.80 3lo3 n SER 26 Cb 0.35 -0.44 0.72 0.00 -0.75 0.00 0.00 64.21 64.10 3lo3 n SER 26 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 3lo3 h THR 27 N 0.00 0.00 -0.32 2.46 1.35 -1.29 -3.09 112.91 112.02 3lo3 h THR 27 Ca 0.44 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.97 3lo3 h THR 27 Cb 0.98 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 3lo3 h THR 27 CO -0.59 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 174.86 3lo3 n LEU 28 N -2.84 2.17 0.11 3.87 4.77 0.20 -4.17 117.00 121.11 3lo3 n LEU 28 Ca 0.00 -1.00 -0.10 0.00 -0.03 0.00 0.00 56.01 54.88 3lo3 n LEU 28 Cb 0.23 -0.21 -0.07 0.00 -2.33 0.00 0.00 43.42 41.05 3lo3 n LEU 28 CO 0.23 0.50 0.37 0.00 -1.33 0.00 0.00 177.39 177.16 3lo3 h ALA 29 N 3.98 -0.36 0.00 -1.18 0.00 -1.67 -2.38 119.26 117.64 3lo3 h ALA 29 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3lo3 h ALA 29 Cb 0.58 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3lo3 h ALA 29 CO 0.00 -0.41 0.00 1.17 0.00 0.00 0.00 179.25 180.01 3lo3 n LYS 30 N -5.03 0.54 0.00 0.00 4.81 -1.26 -1.91 118.16 115.31 3lo3 n LYS 30 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 3lo3 n LYS 30 Cb 0.25 -1.46 0.00 0.00 0.02 0.00 0.00 35.03 33.84 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 -0.96 0.00 -2.46 5.64 4.01 -1.24 -5.02 117.16 117.12 3lo3 n TYR 31 Ca 0.12 -0.15 -0.08 0.00 -0.16 0.00 0.00 57.90 57.63 3lo3 n TYR 31 Cb 0.05 -0.02 -0.00 0.00 -0.31 0.00 0.00 39.34 39.07 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 -0.15 -2.84 -4.90 7.72 7.64 -0.80 -4.65 113.62 115.63 3lo3 n SER 32 Ca 0.00 0.31 -0.28 0.00 1.01 0.00 0.00 58.87 59.90 3lo3 n SER 32 Cb 0.39 -2.47 -0.02 0.00 -1.01 0.00 0.00 64.21 61.10 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 -2.02 1.70 -0.02 0.23 0.00 -1.03 -4.58 107.32 101.60 3lo3 s GLY 33 Ca 0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 44.72 44.17 3lo3 s GLY 33 CO 0.00 -0.25 0.30 -0.54 0.00 0.00 0.00 173.10 172.62 3lo3 s GLU 34 N -4.26 0.65 -0.21 2.90 2.02 -0.87 -4.81 118.70 114.12 3lo3 s GLU 34 Ca 0.48 -0.18 -0.24 0.00 0.02 0.00 0.00 54.97 55.06 3lo3 s GLU 34 Cb -0.10 0.29 -0.01 0.00 0.10 0.00 0.00 34.13 34.40 3lo3 s GLU 34 CO 0.38 -0.18 0.79 0.14 0.02 0.00 0.00 175.26 176.42 3lo3 s VAL 35 N -1.27 4.88 -0.02 2.63 -7.23 -1.26 -0.68 120.40 117.44 3lo3 s VAL 35 Ca -0.13 1.52 -0.21 0.00 -1.81 0.00 0.00 61.98 61.35 3lo3 s VAL 35 Cb -0.05 -4.09 -0.26 0.00 0.56 0.00 0.00 36.38 32.53 3lo3 s VAL 35 CO 0.04 -0.01 1.01 0.25 -0.31 0.00 0.00 175.10 176.09 3lo3 h LEU 36 N 8.72 0.46 -7.05 1.32 5.85 -1.39 -3.48 115.31 119.75 3lo3 h LEU 36 Ca -0.27 -0.84 -0.04 0.00 0.84 0.00 0.00 57.88 57.58 3lo3 h LEU 36 Cb 1.11 -0.15 -0.15 0.00 0.37 0.00 0.00 40.66 41.85 3lo3 h LEU 36 CO 0.84 1.25 0.16 0.54 -0.34 0.00 0.00 178.44 180.89 3lo3 s VAL 37 N -2.91 0.01 0.03 1.05 0.11 -1.22 -4.99 120.40 112.48 3lo3 s VAL 37 Ca -0.14 -0.07 0.01 0.00 -2.93 0.00 0.00 61.98 58.86 3lo3 s VAL 37 Cb 0.02 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.85 3lo3 s VAL 37 CO 0.81 -0.04 -0.05 -1.59 -3.33 0.00 0.00 175.10 170.90 3lo3 s LYS 38 N -2.75 0.42 0.00 1.54 -2.85 -1.26 -2.27 119.74 112.57 3lo3 s LYS 38 Ca -0.04 -0.64 0.00 0.00 -1.00 0.00 0.00 55.97 54.29 3lo3 s LYS 38 Cb -0.01 -0.13 0.00 0.00 -2.06 0.00 0.00 37.83 35.63 3lo3 s LYS 38 CO -0.04 0.01 0.00 0.41 0.10 0.00 0.00 175.35 175.83 3lo3 n GLY 39 N 1.66 0.71 3.84 0.59 0.00 -1.12 -5.02 105.19 105.84 3lo3 n GLY 39 Ca -0.22 -0.93 -0.31 0.00 0.00 0.00 0.00 46.02 44.55 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 5.74 -0.32 1.61 0.01 -1.26 -2.30 113.70 117.17 3lo3 s SER 40 Ca 0.00 1.55 -0.11 0.00 1.31 0.00 0.00 55.95 58.71 3lo3 s SER 40 Cb 0.00 -2.49 -0.01 0.00 0.21 0.00 0.00 66.02 63.73 3lo3 s SER 40 CO 0.00 -1.20 0.18 -0.69 0.41 0.00 0.00 173.24 171.94 3lo3 s VAL 41 N -3.06 4.81 -0.23 3.43 1.01 -0.71 -4.87 120.40 120.80 3lo3 s VAL 41 Ca 0.57 -0.39 -0.19 0.00 0.00 0.00 0.00 61.98 61.97 3lo3 s VAL 41 Cb -0.13 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 3lo3 s VAL 41 CO 0.53 0.02 0.56 -0.70 0.00 0.00 0.00 175.10 175.51 3lo3 s GLU 42 N 1.64 4.15 -0.31 2.72 2.12 -1.26 -5.00 118.70 122.76 3lo3 s GLU 42 Ca 0.05 0.46 -0.28 0.00 0.36 0.00 0.00 54.97 55.55 3lo3 s GLU 42 Cb -0.17 -3.61 0.01 0.00 0.26 0.00 0.00 34.13 30.63 3lo3 s GLU 42 CO 0.08 -0.27 1.04 -0.65 -0.54 0.00 0.00 175.26 174.91 3lo3 s GLN 43 N 2.04 4.08 -0.06 4.30 -1.52 -1.26 -4.91 119.66 122.33 3lo3 s GLN 43 Ca 0.25 1.06 -0.11 0.00 -1.95 0.00 0.00 55.36 54.61 3lo3 s GLN 43 Cb -0.16 -3.72 -0.30 0.00 -0.22 0.00 0.00 33.01 28.61 3lo3 s GLN 43 CO 0.09 -0.84 0.64 -0.07 -0.25 0.00 0.00 175.29 174.86 3lo3 h LEU 44 N 9.93 0.61 -7.26 2.90 3.38 -2.04 -3.49 115.31 119.34 3lo3 h LEU 44 Ca -0.21 -0.94 -0.09 0.00 0.09 0.00 0.00 57.88 56.73 3lo3 h LEU 44 Cb 1.06 -0.20 -0.20 0.00 0.09 0.00 0.00 40.66 41.42 3lo3 h LEU 44 CO 1.01 1.80 -0.05 -2.28 0.09 0.00 0.00 178.44 179.01 3lo3 s HIS 45 N -2.58 -0.42 0.00 1.13 5.04 -1.26 -5.14 115.29 112.06 3lo3 s HIS 45 Ca -0.17 0.72 0.00 0.00 -1.54 0.00 0.00 55.06 54.07 3lo3 s HIS 45 Cb 0.05 0.25 0.00 0.00 0.04 0.00 0.00 32.58 32.92 3lo3 s HIS 45 CO 0.85 -0.49 0.00 0.41 -2.34 0.00 0.00 174.74 173.17 3lo3 n GLY 46 N 1.17 -0.61 3.31 1.59 0.00 -1.26 -4.88 105.19 104.52 3lo3 n GLY 46 Ca -0.20 -1.12 -0.29 0.00 0.00 0.00 0.00 46.02 44.41 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 1.77 -0.07 1.61 1.02 -1.26 -5.07 119.74 117.74 3lo3 s LYS 47 Ca 0.00 -1.02 -0.03 0.00 0.02 0.00 0.00 55.97 54.94 3lo3 s LYS 47 Cb 0.00 -1.87 0.04 0.00 -0.52 0.00 0.00 37.83 35.48 3lo3 s LYS 47 CO 0.00 0.49 0.13 0.12 -0.92 0.00 0.00 175.35 175.17 3lo3 s PHE 48 N -0.74 -0.12 0.13 3.18 5.36 -1.26 -5.05 117.98 119.47 3lo3 s PHE 48 Ca 0.10 0.49 0.31 0.00 -0.96 0.00 0.00 56.93 56.88 3lo3 s PHE 48 Cb -0.10 -0.27 1.27 0.00 -0.34 0.00 0.00 43.02 43.58 3lo3 s PHE 48 CO 0.01 -0.23 1.95 1.49 -1.46 0.00 0.00 175.22 176.99 3lo3 h GLU 49 N 8.11 0.00 -6.01 10.12 4.57 -2.00 -3.45 114.58 125.92 3lo3 h GLU 49 Ca -0.20 0.00 -0.56 0.00 -1.18 0.00 0.00 59.36 57.42 3lo3 h GLU 49 Cb 1.12 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.67 3lo3 h GLU 49 CO 0.22 0.07 -0.33 -1.01 -1.18 0.00 0.00 179.01 176.78 3lo3 s HIS 50 N -3.70 1.92 -0.09 0.92 3.76 -1.26 -4.99 115.29 111.85 3lo3 s HIS 50 Ca 0.01 -0.74 0.14 0.00 -0.15 0.00 0.00 55.06 54.31 3lo3 s HIS 50 Cb 0.10 -1.98 -0.20 0.00 1.11 0.00 0.00 32.58 31.60 3lo3 s HIS 50 CO 0.57 -0.38 0.16 1.63 -0.85 0.00 0.00 174.74 175.88 3lo3 n LYS 51 N -1.69 1.20 -4.26 1.40 5.02 -0.27 -4.93 118.16 114.61 3lo3 n LYS 51 Ca 0.00 -0.06 -0.14 0.00 -2.02 0.00 0.00 58.31 56.09 3lo3 n LYS 51 Cb 0.64 -1.36 -0.10 0.00 -0.02 0.00 0.00 35.03 34.18 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 -2.63 1.48 0.03 7.82 0.00 -1.02 -1.73 121.76 125.71 3lo3 s ALA 52 Ca -0.06 -1.79 -0.03 0.00 0.00 0.00 0.00 51.96 50.08 3lo3 s ALA 52 Cb 0.06 1.17 -0.02 0.00 0.00 0.00 0.00 23.12 24.34 3lo3 s ALA 52 CO 0.60 -0.51 0.04 -0.65 0.00 0.00 0.00 175.76 175.24 3lo3 s GLN 53 N -4.08 0.47 -0.03 0.00 -0.21 -0.97 -2.16 119.66 112.68 3lo3 s GLN 53 Ca 0.38 -0.72 0.01 0.00 0.02 0.00 0.00 55.36 55.04 3lo3 s GLN 53 Cb 0.07 0.18 0.02 0.00 1.00 0.00 0.00 33.01 34.28 3lo3 s GLN 53 CO 0.13 -0.10 -0.02 0.08 -2.12 0.00 0.00 175.29 173.26 3lo3 s VAL 54 N -2.21 0.28 -0.16 1.09 1.01 -0.55 -2.80 120.40 117.07 3lo3 s VAL 54 Ca -0.09 -0.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.82 3lo3 s VAL 54 Cb -0.04 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 3lo3 s VAL 54 CO -0.03 0.15 0.04 -0.63 0.00 0.00 0.00 175.10 174.63 3lo3 s ILE 55 N 0.74 4.60 -0.06 2.22 1.01 -0.96 -1.23 121.20 127.52 3lo3 s ILE 55 Ca -0.08 -0.11 0.04 0.00 0.00 0.00 0.00 60.65 60.50 3lo3 s ILE 55 Cb -0.11 -3.04 -0.02 0.00 0.01 0.00 0.00 42.46 39.30 3lo3 s ILE 55 CO -0.01 0.50 -0.18 -0.76 0.00 0.00 0.00 174.94 174.49 3lo3 s LEU 56 N 0.11 2.49 -0.14 2.97 2.01 0.26 -0.91 118.68 125.48 3lo3 s LEU 56 Ca 0.04 -0.33 0.01 0.00 0.01 0.00 0.00 54.13 53.86 3lo3 s LEU 56 Cb -0.12 -1.50 0.02 0.00 0.01 0.00 0.00 46.19 44.60 3lo3 s LEU 56 CO 0.01 0.29 -0.15 -0.70 1.01 0.00 0.00 176.35 176.80 3lo3 s GLU 57 N -0.39 2.38 0.20 1.70 2.12 0.14 -1.09 118.70 123.76 3lo3 s GLU 57 Ca 0.04 -0.60 0.11 0.00 0.36 0.00 0.00 54.97 54.88 3lo3 s GLU 57 Cb -0.12 -2.10 -0.04 0.00 0.26 0.00 0.00 34.13 32.13 3lo3 s GLU 57 CO 0.02 -0.16 -0.23 -0.06 -0.54 0.00 0.00 175.26 174.28 3lo3 s PHE 58 N 1.27 2.31 -1.12 5.30 0.08 0.35 -2.04 117.98 124.12 3lo3 s PHE 58 Ca 0.01 -0.35 0.22 0.00 0.12 0.00 0.00 56.93 56.92 3lo3 s PHE 58 Cb -0.14 -1.13 0.97 0.00 -0.57 0.00 0.00 43.02 42.16 3lo3 s PHE 58 CO -0.07 0.53 1.69 -0.35 -0.10 0.00 0.00 175.22 176.91 3lo3 n PRO 59 N 0.16 0.09 -3.83 0.24 -0.04 -1.26 -0.13 135.00 130.22 3lo3 n PRO 59 Ca -0.12 0.12 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 3lo3 n PRO 59 Cb 0.56 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.49 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 -2.88 -0.23 0.34 3.54 1.04 -1.26 -4.24 113.70 110.01 3lo3 s SER 60 Ca 0.13 -0.62 0.23 0.00 0.48 0.00 0.00 55.95 56.17 3lo3 s SER 60 Cb 0.14 0.63 0.19 0.00 0.10 0.00 0.00 66.02 67.08 3lo3 s SER 60 CO 0.37 -1.17 1.37 0.08 0.98 0.00 0.00 173.24 174.88 3lo3 h ARG 61 N 2.14 0.00 -0.14 4.02 0.11 -1.87 -3.19 114.38 115.46 3lo3 h ARG 61 Ca -0.25 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.81 3lo3 h ARG 61 Cb 1.26 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.33 3lo3 h ARG 61 CO 0.32 0.01 -0.00 0.93 0.10 0.00 0.00 179.97 181.33 3lo3 h GLU 62 N 0.00 0.24 -0.15 0.08 5.08 -1.96 -1.45 114.58 116.42 3lo3 h GLU 62 Ca -0.00 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3lo3 h GLU 62 Cb 1.01 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 3lo3 h GLU 62 CO 0.00 0.48 0.16 -0.44 -1.00 0.00 0.00 179.01 178.21 3lo3 h ASP 63 N -0.02 0.00 0.09 1.42 3.32 -1.90 0.46 116.42 119.79 3lo3 h ASP 63 Ca 0.04 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.92 3lo3 h ASP 63 Cb 0.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 3lo3 h ASP 63 CO 0.01 0.00 -0.84 0.00 -1.72 0.00 0.00 179.24 176.69 3lo3 h ALA 64 N 1.82 0.04 -0.40 3.45 0.00 -1.50 -2.82 119.26 119.85 3lo3 h ALA 64 Ca 0.07 -0.81 -0.04 0.00 0.00 0.00 0.00 54.91 54.13 3lo3 h ALA 64 Cb 0.39 0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3lo3 h ALA 64 CO -0.00 0.45 0.08 -0.92 0.00 0.00 0.00 179.25 178.86 3lo3 h TYR 65 N -0.56 0.69 -0.54 0.00 3.20 -0.49 -2.57 116.97 116.70 3lo3 h TYR 65 Ca -0.18 -0.09 -0.07 0.00 3.14 0.00 0.00 58.73 61.54 3lo3 h TYR 65 Cb 1.50 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.55 3lo3 h TYR 65 CO 0.19 0.67 0.07 -0.91 -1.64 0.00 0.00 178.16 176.54 3lo3 h ASN 66 N 0.51 0.83 0.80 -2.11 2.35 -0.26 -2.26 115.58 115.44 3lo3 h ASN 66 Ca 0.12 -0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 3lo3 h ASN 66 Cb 0.34 -0.22 0.01 0.00 0.05 0.00 0.00 38.32 38.50 3lo3 h ASN 66 CO 0.00 0.85 -0.38 -0.25 -1.65 0.00 0.00 177.43 176.01 3lo3 h TRP 67 N 0.83 -0.99 -0.93 1.19 7.01 -1.47 -1.18 115.95 120.40 3lo3 h TRP 67 Ca 0.17 -0.02 0.27 0.00 2.11 0.00 0.00 58.89 61.42 3lo3 h TRP 67 Cb 0.40 0.33 -0.04 0.00 -2.10 0.00 0.00 29.16 27.75 3lo3 h TRP 67 CO 0.02 -0.61 0.69 -0.92 -2.79 0.00 0.00 178.44 174.84 3lo3 h TYR 68 N -1.25 0.00 -0.59 2.65 3.20 -1.30 0.11 116.97 119.79 3lo3 h TYR 68 Ca -0.11 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.76 3lo3 h TYR 68 Cb 0.83 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.10 3lo3 h TYR 68 CO -0.00 0.00 0.00 0.72 -1.64 0.00 0.00 178.16 177.24 3lo3 n HIS 69 N -4.18 0.78 -1.29 -3.82 8.25 -0.86 -4.52 115.22 109.57 3lo3 n HIS 69 Ca 0.19 -0.44 -0.29 0.00 -0.26 0.00 0.00 57.72 56.92 3lo3 n HIS 69 Cb 1.02 -0.01 0.18 0.00 1.12 0.00 0.00 29.99 32.30 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 -1.09 2.50 0.03 0.41 1.04 0.38 -4.85 113.70 112.12 3lo3 s SER 70 Ca 0.42 0.95 -0.16 0.00 0.48 0.00 0.00 55.95 57.63 3lo3 s SER 70 Cb 0.22 -1.47 -0.33 0.00 0.10 0.00 0.00 66.02 64.55 3lo3 s SER 70 CO 0.30 -3.18 1.03 1.05 0.98 0.00 0.00 173.24 173.42 3lo3 h GLU 71 N -1.93 0.56 0.04 4.02 4.11 -1.90 -0.84 114.58 118.64 3lo3 h GLU 71 Ca -0.51 -0.85 0.02 0.00 0.07 0.00 0.00 59.36 58.08 3lo3 h GLU 71 Cb 1.32 0.30 -0.03 0.00 0.50 0.00 0.00 28.75 30.85 3lo3 h GLU 71 CO 0.53 1.40 -0.16 0.93 0.07 0.00 0.00 179.01 181.78 3lo3 h GLU 72 N 0.15 -0.28 -0.25 1.06 3.07 -1.94 -0.40 114.58 115.99 3lo3 h GLU 72 Ca -0.22 0.02 -0.10 0.00 -0.50 0.00 0.00 59.36 58.56 3lo3 h GLU 72 Cb 2.02 0.06 -0.00 0.00 -0.84 0.00 0.00 28.75 29.98 3lo3 h GLU 72 CO 0.25 -0.18 -0.22 -0.92 -1.40 0.00 0.00 179.01 176.53 3lo3 h TYR 73 N -0.29 0.70 0.00 4.33 3.20 -1.84 -2.76 116.97 120.31 3lo3 h TYR 73 Ca 0.04 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 61.71 3lo3 h TYR 73 Cb 0.33 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.46 3lo3 h TYR 73 CO -0.20 0.90 0.00 1.04 -1.64 0.00 0.00 178.16 178.26 3lo3 n GLN 74 N -4.37 0.14 0.08 1.82 1.13 -0.32 0.94 117.38 116.80 3lo3 n GLN 74 Ca -0.04 0.60 0.13 0.00 -1.94 0.00 0.00 57.00 55.75 3lo3 n GLN 74 Cb 0.42 -1.92 0.37 0.00 0.11 0.00 0.00 30.24 29.22 3lo3 n GLN 74 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3lo3 n ALA 75 N -1.76 2.46 1.10 -1.58 0.00 -0.18 -3.58 120.51 116.96 3lo3 n ALA 75 Ca -0.01 -0.09 0.12 0.00 0.00 0.00 0.00 53.44 53.46 3lo3 n ALA 75 Cb 0.06 -1.40 0.15 0.00 0.00 0.00 0.00 19.45 18.26 3lo3 n ALA 75 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3lo3 n LEU 76 N -2.15 1.54 -0.07 0.00 4.77 0.27 -4.47 117.00 116.89 3lo3 n LEU 76 Ca 0.05 -0.53 -0.13 0.00 -0.03 0.00 0.00 56.01 55.37 3lo3 n LEU 76 Cb 0.42 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.45 3lo3 n LEU 76 CO 0.32 0.29 0.48 0.40 -1.33 0.00 0.00 177.39 177.55 3lo3 h ILE 77 N 1.75 1.28 -0.66 -0.08 2.04 -1.60 -2.19 117.51 118.05 3lo3 h ILE 77 Ca 0.00 -1.69 0.12 0.00 1.00 0.00 0.00 64.86 64.29 3lo3 h ILE 77 Cb 0.64 1.59 -0.12 0.00 -0.74 0.00 0.00 36.82 38.18 3lo3 h ILE 77 CO 0.00 0.55 -0.32 -1.28 0.00 0.00 0.00 178.15 177.10 3lo3 h SER 78 N 0.64 -1.11 0.94 1.72 0.87 -1.82 -2.69 113.55 112.09 3lo3 h SER 78 Ca 0.03 0.24 -0.17 0.00 -1.23 0.00 0.00 61.79 60.66 3lo3 h SER 78 Cb 1.08 0.58 -0.03 0.00 -0.44 0.00 0.00 62.40 63.59 3lo3 h SER 78 CO 0.11 -0.29 -1.14 0.00 -0.53 0.00 0.00 176.83 174.98 3lo3 h THR 79 N -0.12 0.75 0.30 2.23 1.03 -1.84 -3.29 112.91 111.98 3lo3 h THR 79 Ca 0.26 -2.26 -0.01 0.00 -0.01 0.00 0.00 66.41 64.39 3lo3 h THR 79 Cb 0.55 2.26 0.00 0.00 -1.07 0.00 0.00 68.15 69.90 3lo3 h THR 79 CO -0.73 0.43 -0.15 -0.09 -0.01 0.00 0.00 175.52 174.98 3lo3 h ARG 80 N 0.00 -0.39 -0.28 0.00 2.43 -1.17 -0.21 114.38 114.76 3lo3 h ARG 80 Ca -0.11 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.14 3lo3 h ARG 80 Cb 1.58 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 31.21 3lo3 h ARG 80 CO 0.06 -0.21 0.19 -0.44 -1.51 0.00 0.00 179.97 178.06 3lo3 h ASP 81 N -0.48 0.12 -0.31 -3.80 3.45 -1.59 0.41 116.42 114.22 3lo3 h ASP 81 Ca -0.04 -0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.33 3lo3 h ASP 81 Cb 0.36 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 39.10 3lo3 h ASP 81 CO 0.07 0.08 -0.16 -0.07 -1.57 0.00 0.00 179.24 177.59 3lo3 h LEU 82 N 0.13 0.68 0.00 1.55 3.38 -1.58 -3.41 115.31 116.06 3lo3 h LEU 82 Ca 0.13 -0.41 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3lo3 h LEU 82 Cb 0.33 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3lo3 h LEU 82 CO -0.02 0.94 0.00 0.61 0.09 0.00 0.00 178.44 180.06 3lo3 n GLY 83 N -0.03 -0.93 3.77 0.83 0.00 0.15 -3.41 105.19 105.57 3lo3 n GLY 83 Ca -0.03 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.88 6.29 0.25 1.61 1.01 -0.77 -0.88 116.67 121.31 3lo3 s ASP 85 Ca 0.09 0.33 -0.13 0.00 0.71 0.00 0.00 52.55 53.56 3lo3 s ASP 85 Cb 0.09 -2.10 -0.00 0.00 1.01 0.00 0.00 42.92 41.92 3lo3 s ASP 85 CO 0.25 0.23 0.49 -0.94 0.21 0.00 0.00 175.17 175.41 3lo3 s SER 86 N -0.01 -0.05 0.01 0.27 1.04 -1.26 -0.14 113.70 113.56 3lo3 s SER 86 Ca 0.11 -0.95 0.04 0.00 0.48 0.00 0.00 55.95 55.62 3lo3 s SER 86 Cb -0.12 0.60 -0.01 0.00 0.10 0.00 0.00 66.02 66.59 3lo3 s SER 86 CO 0.00 -1.16 -0.12 0.00 0.98 0.00 0.00 173.24 172.95 3lo3 s GLN 87 N -3.95 0.87 -0.19 4.02 -2.07 0.33 -4.97 119.66 113.70 3lo3 s GLN 87 Ca 0.22 -0.51 0.01 0.00 -1.82 0.00 0.00 55.36 53.26 3lo3 s GLN 87 Cb -0.01 -0.84 0.04 0.00 -1.09 0.00 0.00 33.01 31.12 3lo3 s GLN 87 CO 0.10 0.22 -0.11 -0.06 -1.32 0.00 0.00 175.29 174.11 3lo3 s PHE 88 N -0.49 2.44 -0.15 9.60 2.99 -1.26 -1.62 117.98 129.49 3lo3 s PHE 88 Ca 0.03 -1.58 -0.04 0.00 0.00 0.00 0.00 56.93 55.34 3lo3 s PHE 88 Cb -0.06 -1.66 -0.03 0.00 0.00 0.00 0.00 43.02 41.28 3lo3 s PHE 88 CO 0.00 -0.74 -0.03 -0.65 -0.00 0.00 0.00 175.22 173.80 3lo3 s GLN 89 N 1.39 3.63 -0.09 0.44 1.11 -0.27 -4.95 119.66 120.91 3lo3 s GLN 89 Ca -0.01 -0.49 -0.14 0.00 0.01 0.00 0.00 55.36 54.72 3lo3 s GLN 89 Cb -0.16 -2.93 -0.05 0.00 -1.01 0.00 0.00 33.01 28.87 3lo3 s GLN 89 CO -0.09 0.29 0.36 -1.17 0.01 0.00 0.00 175.29 174.69 3lo3 s LEU 90 N 0.24 4.34 0.00 2.90 0.20 -1.26 -1.35 118.68 123.75 3lo3 s LEU 90 Ca -0.02 0.72 0.02 0.00 0.69 0.00 0.00 54.13 55.54 3lo3 s LEU 90 Cb -0.14 -2.49 -0.01 0.00 -0.43 0.00 0.00 46.19 43.13 3lo3 s LEU 90 CO 0.03 0.18 -0.06 -0.63 -0.29 0.00 0.00 176.35 175.58 3lo3 s ILE 91 N -0.15 0.48 0.00 6.68 1.01 0.18 -5.02 121.20 124.38 3lo3 s ILE 91 Ca 0.21 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.51 3lo3 s ILE 91 Cb -0.15 -0.42 0.00 0.00 0.01 0.00 0.00 42.46 41.90 3lo3 s ILE 91 CO 0.08 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.71