#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 3.98 -1.24 6.43 4.22 -1.26 -5.06 114.94 122.01 3lo3 s ASN 0 Ca 0.00 -0.72 -0.15 0.00 -2.14 0.00 0.00 52.86 49.85 3lo3 s ASN 0 Cb 0.00 -0.55 0.14 0.00 1.28 0.00 0.00 41.25 42.11 3lo3 s ASN 0 CO 0.00 0.09 1.55 0.00 -2.04 0.00 0.00 177.10 176.70 3lo3 n ALA 1 N -0.08 3.81 -1.98 3.54 0.00 -1.26 -4.98 120.51 119.55 3lo3 n ALA 1 Ca -0.10 -4.12 -0.41 0.00 0.00 0.00 0.00 53.44 48.81 3lo3 n ALA 1 Cb 0.57 -3.24 -0.03 0.00 0.00 0.00 0.00 19.45 16.75 3lo3 n ALA 1 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3lo3 s THR 2 N 2.41 3.07 0.30 0.00 -1.32 -1.26 -4.37 115.64 114.48 3lo3 s THR 2 Ca 0.46 0.87 0.07 0.00 -1.21 0.00 0.00 61.69 61.89 3lo3 s THR 2 Cb -0.00 -3.56 -0.03 0.00 -1.51 0.00 0.00 72.50 67.40 3lo3 s THR 2 CO 0.03 0.13 0.23 0.00 -2.21 0.00 0.00 174.62 172.79 3lo3 s ALA 3 N 0.17 3.68 0.00 11.08 0.00 -0.71 -4.91 121.76 131.08 3lo3 s ALA 3 Ca 0.58 -1.58 -0.02 0.00 0.00 0.00 0.00 51.96 50.95 3lo3 s ALA 3 Cb -0.38 -1.17 -0.01 0.00 0.00 0.00 0.00 23.12 21.57 3lo3 s ALA 3 CO 0.39 0.12 0.03 0.71 0.00 0.00 0.00 175.76 177.00 3lo3 s TYR 4 N -2.25 0.08 -0.18 0.00 2.02 -0.18 -1.28 117.35 115.57 3lo3 s TYR 4 Ca 0.37 -0.17 0.01 0.00 -0.37 0.00 0.00 57.07 56.91 3lo3 s TYR 4 Cb -0.06 -0.07 0.03 0.00 -0.40 0.00 0.00 41.96 41.46 3lo3 s TYR 4 CO 0.25 -0.12 -0.14 0.42 -1.57 0.00 0.00 175.55 174.39 3lo3 s ILE 5 N -0.72 1.74 -0.16 2.71 1.01 -0.65 0.42 121.20 125.53 3lo3 s ILE 5 Ca -0.08 -0.89 -0.13 0.00 0.00 0.00 0.00 60.65 59.55 3lo3 s ILE 5 Cb -0.05 -1.69 -0.05 0.00 0.01 0.00 0.00 42.46 40.68 3lo3 s ILE 5 CO -0.00 0.35 0.26 -0.63 0.00 0.00 0.00 174.94 174.92 3lo3 s ILE 6 N 1.39 5.32 -0.04 2.92 1.01 0.80 -0.92 121.20 131.68 3lo3 s ILE 6 Ca 0.02 0.49 0.05 0.00 0.00 0.00 0.00 60.65 61.21 3lo3 s ILE 6 Cb -0.14 -3.60 -0.01 0.00 0.01 0.00 0.00 42.46 38.72 3lo3 s ILE 6 CO -0.10 0.41 -0.19 0.54 0.00 0.00 0.00 174.94 175.59 3lo3 s VAL 7 N 0.37 1.58 -0.15 2.92 0.11 -0.45 -0.58 120.40 124.21 3lo3 s VAL 7 Ca 0.15 -0.82 -0.02 0.00 -2.93 0.00 0.00 61.98 58.36 3lo3 s VAL 7 Cb -0.13 -1.34 -0.02 0.00 -1.53 0.00 0.00 36.38 33.36 3lo3 s VAL 7 CO 0.03 0.45 -0.07 -0.83 -3.33 0.00 0.00 175.10 171.35 3lo3 s GLY 8 N -0.16 1.64 0.08 6.54 0.00 -0.92 -1.51 107.32 113.00 3lo3 s GLY 8 Ca -0.00 -0.86 0.01 0.00 0.00 0.00 0.00 44.72 43.87 3lo3 s GLY 8 CO 0.01 -0.10 -0.05 0.48 0.00 0.00 0.00 173.10 173.45 3lo3 s LEU 9 N 0.40 2.50 -0.20 0.66 -0.00 -0.41 -1.62 118.68 120.01 3lo3 s LEU 9 Ca -0.06 -0.99 -0.05 0.00 -0.00 0.00 0.00 54.13 53.03 3lo3 s LEU 9 Cb -0.15 0.02 0.07 0.00 -0.00 0.00 0.00 46.19 46.13 3lo3 s LEU 9 CO 0.04 -0.50 0.12 -0.89 -0.00 0.00 0.00 176.35 175.11 3lo3 s THR 10 N -3.65 -0.12 0.03 5.48 2.01 -0.33 -1.39 115.64 117.67 3lo3 s THR 10 Ca 0.09 -0.27 -0.36 0.00 0.31 0.00 0.00 61.69 61.46 3lo3 s THR 10 Cb 0.06 -0.66 -0.15 0.00 0.01 0.00 0.00 72.50 71.75 3lo3 s THR 10 CO -0.06 -0.36 1.52 -2.65 -0.69 0.00 0.00 174.62 172.38 3lo3 n PRO 11 N 5.28 1.53 0.00 4.92 -0.02 -1.26 -2.67 135.00 142.77 3lo3 n PRO 11 Ca -0.07 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3lo3 n PRO 11 Cb 0.48 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 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 3.62 0.00 -3.42 -0.52 5.02 -0.04 -4.91 118.16 117.91 3lo3 n LYS 12 Ca 0.20 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.07 3lo3 n LYS 12 Cb 0.22 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.13 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 -0.82 6.14 0.33 4.39 -1.08 -1.19 -4.99 116.67 119.45 3lo3 s ASP 13 Ca 0.00 -0.58 0.00 0.00 -0.52 0.00 0.00 52.55 51.45 3lo3 s ASP 13 Cb 0.00 -2.18 0.56 0.00 -1.46 0.00 0.00 42.92 39.83 3lo3 s ASP 13 CO 0.00 -0.42 1.99 0.00 0.52 0.00 0.00 175.17 177.26 3lo3 h ALA 14 N 8.59 1.49 0.47 3.66 0.00 -1.92 -1.07 119.26 130.48 3lo3 h ALA 14 Ca -0.28 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 3lo3 h ALA 14 Cb 1.13 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3lo3 h ALA 14 CO 0.72 0.47 -0.23 0.93 0.00 0.00 0.00 179.25 181.15 3lo3 h GLU 15 N 0.96 -0.61 -0.84 0.00 5.08 -1.96 -1.62 114.58 115.58 3lo3 h GLU 15 Ca 0.26 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.77 3lo3 h GLU 15 Cb -0.10 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.20 3lo3 h GLU 15 CO -0.05 -0.35 0.47 0.87 -1.00 0.00 0.00 179.01 178.95 3lo3 h LYS 16 N -0.76 0.72 -0.60 2.33 6.56 -1.87 -2.34 116.57 120.61 3lo3 h LYS 16 Ca -0.06 -0.04 0.06 0.00 -1.06 0.00 0.00 60.65 59.54 3lo3 h LYS 16 Cb 0.55 -0.16 -0.05 0.00 -0.57 0.00 0.00 32.23 31.99 3lo3 h LYS 16 CO 0.11 0.48 0.32 1.25 -2.06 0.00 0.00 179.45 179.54 3lo3 h LEU 17 N 0.74 0.45 -0.59 2.94 6.46 -0.93 -1.51 115.31 122.88 3lo3 h LEU 17 Ca 0.43 0.03 -0.02 0.00 -0.12 0.00 0.00 57.88 58.20 3lo3 h LEU 17 Cb 0.48 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.33 3lo3 h LEU 17 CO -0.29 0.30 0.28 -0.61 -0.62 0.00 0.00 178.44 177.50 3lo3 h GLN 18 N 0.59 0.85 0.27 1.25 4.15 -0.79 -0.76 115.11 120.67 3lo3 h GLN 18 Ca 0.27 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.55 3lo3 h GLN 18 Cb 0.19 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.73 3lo3 h GLN 18 CO -0.18 0.69 -0.13 1.96 -1.93 0.00 0.00 178.83 179.24 3lo3 h GLN 19 N 0.80 -0.35 -0.02 1.69 4.20 -0.96 -1.89 115.11 118.58 3lo3 h GLN 19 Ca 0.20 0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.95 3lo3 h GLN 19 Cb 0.12 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.94 3lo3 h GLN 19 CO -0.02 -0.12 -0.42 -0.92 -0.67 0.00 0.00 178.83 176.68 3lo3 h TYR 20 N -0.53 -1.23 -1.04 2.96 3.20 -1.26 -2.53 116.97 116.54 3lo3 h TYR 20 Ca -0.04 0.04 0.27 0.00 3.14 0.00 0.00 58.73 62.14 3lo3 h TYR 20 Cb 0.39 0.54 -0.10 0.00 1.54 0.00 0.00 36.73 39.10 3lo3 h TYR 20 CO -0.01 -0.44 0.67 0.78 -1.64 0.00 0.00 178.16 177.51 3lo3 h GLY 21 N -0.51 1.26 1.97 1.82 0.00 -0.99 0.42 103.07 107.03 3lo3 h GLY 21 Ca 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.13 3lo3 h GLY 21 CO -0.29 -0.15 -0.02 0.00 0.00 0.00 0.00 176.54 176.08 3lo3 n ALA 22 N -2.46 2.30 0.10 3.60 0.00 -0.72 -3.34 120.51 119.98 3lo3 n ALA 22 Ca 0.26 -0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.76 3lo3 n ALA 22 Cb 0.88 -1.46 -0.15 0.00 0.00 0.00 0.00 19.45 18.73 3lo3 n ALA 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3lo3 n ARG 23 N -2.26 0.60 -0.24 0.00 1.74 0.09 -4.61 116.66 112.00 3lo3 n ARG 23 Ca 0.05 -0.16 -0.07 0.00 -0.77 0.00 0.00 57.85 56.90 3lo3 n ARG 23 Cb 0.43 -1.46 0.06 0.00 -1.02 0.00 0.00 32.46 30.47 3lo3 n ARG 23 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 3lo3 h VAL 24 N 0.00 1.26 -0.65 1.55 3.04 -1.44 -3.16 116.25 116.85 3lo3 h VAL 24 Ca 0.00 -1.00 0.07 0.00 -1.01 0.00 0.00 66.70 64.77 3lo3 h VAL 24 Cb 0.85 0.59 -0.06 0.00 -2.01 0.00 0.00 31.29 30.66 3lo3 h VAL 24 CO 0.00 0.38 0.33 0.00 -1.01 0.00 0.00 177.57 177.26 3lo3 h ALA 25 N 1.10 0.87 0.00 3.17 0.00 -1.82 0.13 119.26 122.72 3lo3 h ALA 25 Ca 0.21 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3lo3 h ALA 25 Cb 0.40 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3lo3 h ALA 25 CO 0.01 -0.04 -0.03 0.66 0.00 0.00 0.00 179.25 179.84 3lo3 h SER 26 N 0.58 0.00 1.13 0.00 4.64 -1.86 -2.25 113.55 115.79 3lo3 h SER 26 Ca 0.31 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.45 3lo3 h SER 26 Cb 0.27 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 3lo3 h SER 26 CO -0.23 0.03 -0.87 0.71 -0.87 0.00 0.00 176.83 175.61 3lo3 h THR 27 N 0.00 1.44 0.00 2.95 1.35 -1.07 -3.21 112.91 114.38 3lo3 h THR 27 Ca -0.00 -3.05 -0.04 0.00 -0.55 0.00 0.00 66.41 62.77 3lo3 h THR 27 Cb 0.10 2.71 -0.01 0.00 -1.73 0.00 0.00 68.15 69.23 3lo3 h THR 27 CO 0.00 0.82 -0.21 -0.07 -0.25 0.00 0.00 175.52 175.81 3lo3 h LEU 28 N 0.00 0.00 -0.94 3.87 3.38 -1.27 -3.34 115.31 117.00 3lo3 h LEU 28 Ca -0.01 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.04 3lo3 h LEU 28 Cb 1.66 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.29 3lo3 h LEU 28 CO 0.11 0.21 -0.58 0.00 0.09 0.00 0.00 178.44 178.27 3lo3 h ALA 29 N 1.79 -0.56 0.00 1.53 0.00 -1.59 -1.10 119.26 119.32 3lo3 h ALA 29 Ca -0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3lo3 h ALA 29 Cb 0.40 1.36 0.00 0.00 0.00 0.00 0.00 17.79 19.55 3lo3 h ALA 29 CO 0.03 -0.97 0.00 -0.22 0.00 0.00 0.00 179.25 178.09 3lo3 h LYS 30 N -0.03 0.00 -0.20 0.00 3.64 -1.80 -1.86 116.57 116.31 3lo3 h LYS 30 Ca 0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3lo3 h LYS 30 Cb 0.42 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3lo3 h LYS 30 CO -0.90 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 176.94 3lo3 n TYR 31 N -3.02 0.34 -3.35 1.91 4.01 -0.52 -4.96 117.16 111.56 3lo3 n TYR 31 Ca -0.01 -0.58 -0.24 0.00 -0.16 0.00 0.00 57.90 56.92 3lo3 n TYR 31 Cb 0.21 -0.07 0.02 0.00 -0.31 0.00 0.00 39.34 39.19 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 -0.06 -5.06 -4.81 7.72 7.64 -0.66 -4.58 113.62 113.82 3lo3 n SER 32 Ca 0.09 -0.43 -0.33 0.00 1.01 0.00 0.00 58.87 59.21 3lo3 n SER 32 Cb 0.44 -4.09 -0.04 0.00 -1.01 0.00 0.00 64.21 59.50 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 -2.87 2.33 0.02 0.23 0.00 -0.58 -4.42 107.32 102.04 3lo3 s GLY 33 Ca 0.43 0.43 -0.16 0.00 0.00 0.00 0.00 44.72 45.42 3lo3 s GLY 33 CO 0.53 0.72 0.35 1.85 0.00 0.00 0.00 173.10 176.55 3lo3 s GLU 34 N -3.48 0.81 -0.22 2.90 2.12 -0.57 -4.68 118.70 115.57 3lo3 s GLU 34 Ca 0.63 -0.35 -0.16 0.00 0.36 0.00 0.00 54.97 55.45 3lo3 s GLU 34 Cb -0.13 0.36 -0.04 0.00 0.26 0.00 0.00 34.13 34.58 3lo3 s GLU 34 CO 0.22 -0.25 0.42 0.08 -0.54 0.00 0.00 175.26 175.19 3lo3 s VAL 35 N -2.13 5.17 -0.15 3.70 1.01 -1.26 -0.39 120.40 126.35 3lo3 s VAL 35 Ca -0.08 0.74 -0.23 0.00 0.00 0.00 0.00 61.98 62.40 3lo3 s VAL 35 Cb -0.02 -3.75 -0.25 0.00 0.00 0.00 0.00 36.38 32.36 3lo3 s VAL 35 CO -0.00 0.20 0.57 0.25 0.00 0.00 0.00 175.10 176.12 3lo3 h LEU 36 N 7.99 0.12 -7.31 3.92 5.85 -1.18 -3.48 115.31 121.22 3lo3 h LEU 36 Ca -0.34 -0.82 -0.05 0.00 0.84 0.00 0.00 57.88 57.51 3lo3 h LEU 36 Cb 1.16 -0.04 -0.14 0.00 0.37 0.00 0.00 40.66 42.01 3lo3 h LEU 36 CO 0.71 1.31 -0.02 0.68 -0.34 0.00 0.00 178.44 180.78 3lo3 s VAL 37 N -2.33 0.05 0.10 1.05 -7.23 -1.23 -4.98 120.40 105.83 3lo3 s VAL 37 Ca -0.22 -0.43 0.04 0.00 -1.81 0.00 0.00 61.98 59.56 3lo3 s VAL 37 Cb 0.02 -1.09 -0.04 0.00 0.56 0.00 0.00 36.38 35.83 3lo3 s VAL 37 CO 0.69 -0.24 -0.11 -0.54 -0.31 0.00 0.00 175.10 174.59 3lo3 s LYS 38 N -3.47 0.88 0.00 4.82 1.02 -1.26 -1.13 119.74 120.60 3lo3 s LYS 38 Ca 0.01 -1.17 0.00 0.00 0.02 0.00 0.00 55.97 54.83 3lo3 s LYS 38 Cb 0.01 -0.61 0.00 0.00 -0.52 0.00 0.00 37.83 36.71 3lo3 s LYS 38 CO -0.10 0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.84 3lo3 n GLY 39 N 0.57 2.26 3.85 -3.33 0.00 -0.30 -4.98 105.19 103.26 3lo3 n GLY 39 Ca -0.16 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.76 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 5.98 -0.19 1.61 0.01 -1.26 -1.02 113.70 118.83 3lo3 s SER 40 Ca 0.00 1.51 -0.03 0.00 1.31 0.00 0.00 55.95 58.74 3lo3 s SER 40 Cb 0.00 -2.48 -0.01 0.00 0.21 0.00 0.00 66.02 63.73 3lo3 s SER 40 CO 0.00 -1.04 -0.06 -0.69 0.41 0.00 0.00 173.24 171.86 3lo3 s VAL 41 N -3.06 3.38 -0.19 3.43 1.01 -0.95 -4.83 120.40 119.19 3lo3 s VAL 41 Ca 0.57 -0.51 -0.16 0.00 0.00 0.00 0.00 61.98 61.87 3lo3 s VAL 41 Cb -0.12 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 3lo3 s VAL 41 CO 0.52 0.46 0.42 -0.70 0.00 0.00 0.00 175.10 175.80 3lo3 s GLU 42 N 1.02 4.20 -0.29 2.72 2.12 -1.26 -4.97 118.70 122.23 3lo3 s GLU 42 Ca 0.00 0.26 -0.29 0.00 0.36 0.00 0.00 54.97 55.30 3lo3 s GLU 42 Cb -0.15 -3.52 0.01 0.00 0.26 0.00 0.00 34.13 30.73 3lo3 s GLU 42 CO -0.00 -0.01 1.16 -1.14 -0.54 0.00 0.00 175.26 174.73 3lo3 s GLN 43 N 1.20 4.05 -0.05 4.30 2.00 -1.26 -4.91 119.66 124.99 3lo3 s GLN 43 Ca 0.20 1.20 -0.05 0.00 -2.00 0.00 0.00 55.36 54.72 3lo3 s GLN 43 Cb -0.15 -3.78 -0.28 0.00 0.80 0.00 0.00 33.01 29.61 3lo3 s GLN 43 CO 0.08 -0.93 0.64 -0.07 -0.50 0.00 0.00 175.29 174.51 3lo3 h LEU 44 N 10.25 0.44 -7.08 3.68 3.38 -2.04 -3.48 115.31 120.46 3lo3 h LEU 44 Ca -0.23 -0.74 -0.06 0.00 0.09 0.00 0.00 57.88 56.94 3lo3 h LEU 44 Cb 1.08 -0.14 -0.22 0.00 0.09 0.00 0.00 40.66 41.47 3lo3 h LEU 44 CO 1.02 1.64 0.04 -2.28 0.09 0.00 0.00 178.44 178.95 3lo3 s HIS 45 N -2.59 -0.69 0.00 1.13 5.04 -1.26 -5.16 115.29 111.76 3lo3 s HIS 45 Ca -0.15 1.67 0.00 0.00 -1.54 0.00 0.00 55.06 55.05 3lo3 s HIS 45 Cb 0.06 0.25 0.00 0.00 0.04 0.00 0.00 32.58 32.93 3lo3 s HIS 45 CO 0.83 -0.35 0.00 0.41 -2.34 0.00 0.00 174.74 173.29 3lo3 n GLY 46 N 2.63 -1.35 3.62 1.59 0.00 -1.26 -4.83 105.19 105.59 3lo3 n GLY 46 Ca -0.14 -1.27 -0.38 0.00 0.00 0.00 0.00 46.02 44.22 3lo3 n GLY 46 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3lo3 s LYS 47 N 0.00 4.03 -0.16 1.61 2.36 -1.26 -5.04 119.74 121.29 3lo3 s LYS 47 Ca 0.00 -0.13 -0.03 0.00 -2.55 0.00 0.00 55.97 53.26 3lo3 s LYS 47 Cb 0.00 -3.61 0.05 0.00 -1.05 0.00 0.00 37.83 33.22 3lo3 s LYS 47 CO 0.00 -0.13 0.05 0.12 1.55 0.00 0.00 175.35 176.94 3lo3 s PHE 48 N 1.61 0.62 -1.53 4.03 5.36 -1.26 -5.04 117.98 121.77 3lo3 s PHE 48 Ca 0.11 -0.50 0.27 0.00 -0.96 0.00 0.00 56.93 55.86 3lo3 s PHE 48 Cb -0.15 -0.84 0.96 0.00 -0.34 0.00 0.00 43.02 42.65 3lo3 s PHE 48 CO 0.09 -0.51 1.70 -0.85 -1.46 0.00 0.00 175.22 174.19 3lo3 n GLU 49 N 5.16 0.57 -2.71 10.12 0.00 -1.26 -4.87 120.64 127.65 3lo3 n GLU 49 Ca -0.08 -0.26 -0.17 0.00 0.00 0.00 0.00 57.16 56.66 3lo3 n GLU 49 Cb 0.48 -1.49 0.05 0.00 0.00 0.00 0.00 31.44 30.48 3lo3 n GLU 49 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3lo3 n HIS 50 N -0.98 -2.25 -0.02 -1.84 8.25 -1.26 -5.02 115.22 112.10 3lo3 n HIS 50 Ca 0.12 -1.77 0.02 0.00 -0.26 0.00 0.00 57.72 55.83 3lo3 n HIS 50 Cb 0.31 -0.45 -0.09 0.00 1.12 0.00 0.00 29.99 30.89 3lo3 n HIS 50 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3lo3 n LYS 51 N -2.00 0.94 -3.78 -0.41 5.02 -0.49 -4.96 118.16 112.49 3lo3 n LYS 51 Ca 0.12 -0.07 -0.10 0.00 -2.02 0.00 0.00 58.31 56.24 3lo3 n LYS 51 Cb 0.50 -1.27 -0.05 0.00 -0.02 0.00 0.00 35.03 34.19 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 -2.62 -0.62 0.07 7.82 0.00 -0.93 -2.25 121.76 123.24 3lo3 s ALA 52 Ca -0.04 -0.39 0.07 0.00 0.00 0.00 0.00 51.96 51.60 3lo3 s ALA 52 Cb 0.06 0.77 -0.03 0.00 0.00 0.00 0.00 23.12 23.92 3lo3 s ALA 52 CO 0.45 -0.69 -0.18 -0.65 0.00 0.00 0.00 175.76 174.70 3lo3 s GLN 53 N -3.88 1.04 -0.02 0.00 -1.52 -0.18 -1.29 119.66 113.81 3lo3 s GLN 53 Ca 0.09 -1.01 0.04 0.00 -1.95 0.00 0.00 55.36 52.54 3lo3 s GLN 53 Cb 0.02 -1.17 -0.01 0.00 -0.22 0.00 0.00 33.01 31.63 3lo3 s GLN 53 CO -0.05 0.28 -0.14 0.08 -0.25 0.00 0.00 175.29 175.20 3lo3 s VAL 54 N -1.09 1.14 -0.18 1.09 1.01 -0.57 -1.15 120.40 120.65 3lo3 s VAL 54 Ca 0.03 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 3lo3 s VAL 54 Cb -0.09 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 3lo3 s VAL 54 CO 0.03 0.33 -0.08 -0.63 0.00 0.00 0.00 175.10 174.75 3lo3 s ILE 55 N -0.16 3.26 -0.05 2.22 1.01 -0.28 -1.34 121.20 125.86 3lo3 s ILE 55 Ca 0.02 -0.56 -0.04 0.00 0.00 0.00 0.00 60.65 60.07 3lo3 s ILE 55 Cb -0.07 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 3lo3 s ILE 55 CO 0.00 0.47 0.16 -0.76 0.00 0.00 0.00 174.94 174.81 3lo3 s LEU 56 N 0.93 4.33 -0.12 2.97 2.01 -0.09 -0.57 118.68 128.14 3lo3 s LEU 56 Ca -0.01 0.37 0.03 0.00 0.01 0.00 0.00 54.13 54.53 3lo3 s LEU 56 Cb -0.15 -2.39 0.01 0.00 0.01 0.00 0.00 46.19 43.67 3lo3 s LEU 56 CO 0.00 0.32 -0.22 -0.70 1.01 0.00 0.00 176.35 176.75 3lo3 s GLU 57 N -1.59 2.97 0.25 1.70 2.12 0.48 -1.64 118.70 122.99 3lo3 s GLU 57 Ca 0.22 -0.84 0.09 0.00 0.36 0.00 0.00 54.97 54.80 3lo3 s GLU 57 Cb -0.12 -2.33 -0.05 0.00 0.26 0.00 0.00 34.13 31.89 3lo3 s GLU 57 CO 0.13 0.07 -0.15 -0.06 -0.54 0.00 0.00 175.26 174.71 3lo3 s PHE 58 N 0.61 2.00 -0.57 5.30 0.08 -0.40 -1.50 117.98 123.50 3lo3 s PHE 58 Ca -0.12 -0.50 0.26 0.00 0.12 0.00 0.00 56.93 56.69 3lo3 s PHE 58 Cb -0.17 -0.95 0.86 0.00 -0.57 0.00 0.00 43.02 42.19 3lo3 s PHE 58 CO 0.03 0.49 1.75 -1.00 -0.10 0.00 0.00 175.22 176.40 3lo3 h PRO 59 N 2.38 0.00 -3.16 0.24 0.14 -1.81 -1.89 132.00 127.90 3lo3 h PRO 59 Ca -0.39 0.00 -0.04 0.00 0.14 0.00 0.00 66.00 65.71 3lo3 h PRO 59 Cb 1.24 0.00 -0.13 0.00 0.14 0.00 0.00 31.00 32.25 3lo3 h PRO 59 CO 0.63 0.00 0.07 -1.54 0.14 0.00 0.00 178.00 177.29 3lo3 s SER 60 N -4.69 -0.41 0.35 1.44 1.04 -1.26 -4.28 113.70 105.89 3lo3 s SER 60 Ca 0.08 -0.13 0.07 0.00 0.48 0.00 0.00 55.95 56.44 3lo3 s SER 60 Cb 0.10 0.53 0.65 0.00 0.10 0.00 0.00 66.02 67.41 3lo3 s SER 60 CO 0.54 -0.90 1.87 -0.09 0.98 0.00 0.00 173.24 175.63 3lo3 h ARG 61 N 2.22 0.37 -0.54 4.02 2.43 -1.88 -2.33 114.38 118.67 3lo3 h ARG 61 Ca -0.34 -0.09 -0.12 0.00 -0.81 0.00 0.00 59.98 58.62 3lo3 h ARG 61 Cb 1.28 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.76 3lo3 h ARG 61 CO 0.42 0.49 -0.12 1.05 -1.51 0.00 0.00 179.97 180.31 3lo3 h GLU 62 N 0.35 1.02 0.14 0.20 4.11 -1.96 -0.03 114.58 118.41 3lo3 h GLU 62 Ca 0.07 -0.38 -0.01 0.00 0.07 0.00 0.00 59.36 59.11 3lo3 h GLU 62 Cb 0.42 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3lo3 h GLU 62 CO 0.02 1.07 -0.07 -0.44 0.07 0.00 0.00 179.01 179.66 3lo3 h ASP 63 N 0.90 -0.15 -1.01 3.06 3.32 -1.87 0.74 116.42 121.41 3lo3 h ASP 63 Ca 0.14 -0.19 0.24 0.00 0.02 0.00 0.00 57.03 57.24 3lo3 h ASP 63 Cb 0.68 0.04 -0.12 0.00 0.22 0.00 0.00 39.33 40.15 3lo3 h ASP 63 CO 0.05 0.10 0.60 0.00 -1.72 0.00 0.00 179.24 178.27 3lo3 h ALA 64 N 0.41 1.79 0.15 3.45 0.00 -1.20 0.22 119.26 124.08 3lo3 h ALA 64 Ca -0.02 0.12 -0.22 0.00 0.00 0.00 0.00 54.91 54.79 3lo3 h ALA 64 Cb 0.33 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.14 3lo3 h ALA 64 CO 0.03 -0.25 -0.99 -0.92 0.00 0.00 0.00 179.25 177.12 3lo3 h TYR 65 N 0.60 0.58 -0.77 0.00 3.20 -0.69 -3.10 116.97 116.80 3lo3 h TYR 65 Ca 0.64 -0.43 0.08 0.00 3.14 0.00 0.00 58.73 62.16 3lo3 h TYR 65 Cb 1.19 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 39.39 3lo3 h TYR 65 CO -0.01 1.38 0.51 -0.91 -1.64 0.00 0.00 178.16 177.49 3lo3 h ASN 66 N -0.30 0.69 -0.15 -2.11 2.35 0.12 -2.45 115.58 113.72 3lo3 h ASN 66 Ca -0.18 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.58 3lo3 h ASN 66 Cb 1.73 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 39.95 3lo3 h ASN 66 CO 0.15 0.43 0.09 -0.25 -1.65 0.00 0.00 177.43 176.20 3lo3 h TRP 67 N 0.77 0.20 0.00 1.19 7.01 -0.63 0.26 115.95 124.74 3lo3 h TRP 67 Ca 0.34 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.33 3lo3 h TRP 67 Cb 0.33 -0.07 -0.00 0.00 -2.10 0.00 0.00 29.16 27.33 3lo3 h TRP 67 CO -0.00 0.16 -0.05 -0.92 -2.79 0.00 0.00 178.44 174.84 3lo3 h TYR 68 N 0.18 0.00 -0.08 2.65 3.20 -1.37 -2.67 116.97 118.88 3lo3 h TYR 68 Ca 0.05 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3lo3 h TYR 68 Cb 0.02 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.29 3lo3 h TYR 68 CO -0.06 0.05 0.00 0.72 -1.64 0.00 0.00 178.16 177.23 3lo3 n HIS 69 N -3.41 0.28 -3.46 -3.82 8.25 -0.81 -4.57 115.22 107.67 3lo3 n HIS 69 Ca -0.02 -0.96 -0.36 0.00 -0.26 0.00 0.00 57.72 56.12 3lo3 n HIS 69 Cb 0.17 -0.20 -0.06 0.00 1.12 0.00 0.00 29.99 31.03 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 -2.57 6.79 0.24 0.41 1.04 0.02 -4.95 113.70 114.68 3lo3 s SER 70 Ca 0.35 0.98 -0.12 0.00 0.48 0.00 0.00 55.95 57.63 3lo3 s SER 70 Cb 0.29 -2.25 0.34 0.00 0.10 0.00 0.00 66.02 64.50 3lo3 s SER 70 CO 0.05 0.21 1.49 -0.62 0.98 0.00 0.00 173.24 175.35 3lo3 n GLU 71 N 1.26 -0.16 -0.11 4.02 1.02 -1.26 -1.55 120.64 123.86 3lo3 n GLU 71 Ca -0.09 1.49 -0.08 0.00 -0.02 0.00 0.00 57.16 58.45 3lo3 n GLU 71 Cb 0.52 -2.21 0.08 0.00 -0.02 0.00 0.00 31.44 29.81 3lo3 n GLU 71 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 3lo3 h GLU 72 N 0.00 0.83 -0.04 3.49 9.09 -1.94 -2.64 114.58 123.36 3lo3 h GLU 72 Ca 0.40 -0.32 -0.19 0.00 0.05 0.00 0.00 59.36 59.30 3lo3 h GLU 72 Cb 0.64 -0.05 -0.00 0.00 -1.65 0.00 0.00 28.75 27.68 3lo3 h GLU 72 CO -0.97 0.95 -0.80 -0.92 0.05 0.00 0.00 179.01 177.32 3lo3 h TYR 73 N 0.74 0.50 -0.29 2.06 3.20 -1.53 -3.28 116.97 118.36 3lo3 h TYR 73 Ca 0.11 -0.24 -0.06 0.00 3.14 0.00 0.00 58.73 61.68 3lo3 h TYR 73 Cb 0.70 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.88 3lo3 h TYR 73 CO 0.04 1.01 -0.08 1.96 -1.64 0.00 0.00 178.16 179.45 3lo3 h GLN 74 N 0.23 0.48 0.00 1.82 1.08 -1.18 -1.63 115.11 115.91 3lo3 h GLN 74 Ca -0.04 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 3lo3 h GLN 74 Cb 1.39 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.76 3lo3 h GLN 74 CO 0.13 0.57 0.00 0.00 -0.95 0.00 0.00 178.83 178.58 3lo3 n ALA 75 N -2.48 1.72 0.24 3.87 0.00 -1.01 -1.89 120.51 120.97 3lo3 n ALA 75 Ca 0.01 0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.63 3lo3 n ALA 75 Cb 0.29 -1.39 0.09 0.00 0.00 0.00 0.00 19.45 18.44 3lo3 n ALA 75 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3lo3 h LEU 76 N 0.00 0.00 0.85 0.00 3.38 -1.38 -3.41 115.31 114.76 3lo3 h LEU 76 Ca 0.00 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3lo3 h LEU 76 Cb 0.40 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.16 3lo3 h LEU 76 CO 0.00 0.02 -0.41 0.40 0.09 0.00 0.00 178.44 178.54 3lo3 h ILE 77 N 0.00 0.12 -0.48 1.22 2.04 -1.35 0.34 117.51 119.40 3lo3 h ILE 77 Ca 0.00 -0.07 0.09 0.00 1.00 0.00 0.00 64.86 65.88 3lo3 h ILE 77 Cb 0.94 0.13 -0.09 0.00 -0.74 0.00 0.00 36.82 37.06 3lo3 h ILE 77 CO 0.00 0.00 -0.13 -0.24 0.00 0.00 0.00 178.15 177.78 3lo3 n SER 78 N -5.56 -0.19 0.08 1.72 2.88 -1.26 0.21 113.62 111.49 3lo3 n SER 78 Ca -0.15 0.83 0.12 0.00 -1.33 0.00 0.00 58.87 58.34 3lo3 n SER 78 Cb 0.46 -0.24 0.21 0.00 -0.75 0.00 0.00 64.21 63.88 3lo3 n SER 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3lo3 h THR 79 N 0.00 0.00 -0.04 2.46 1.03 -1.68 -3.27 112.91 111.41 3lo3 h THR 79 Ca 0.22 -0.54 -0.21 0.00 -0.01 0.00 0.00 66.41 65.88 3lo3 h THR 79 Cb 0.34 1.21 0.01 0.00 -1.07 0.00 0.00 68.15 68.65 3lo3 h THR 79 CO -0.49 0.00 -0.80 -0.09 -0.01 0.00 0.00 175.52 174.13 3lo3 h ARG 80 N 0.00 0.61 0.00 0.00 2.43 0.46 -3.15 114.38 114.73 3lo3 h ARG 80 Ca 0.00 -0.60 -0.03 0.00 -0.81 0.00 0.00 59.98 58.54 3lo3 h ARG 80 Cb 0.77 0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.47 3lo3 h ARG 80 CO 0.00 1.21 -0.13 -0.44 -1.51 0.00 0.00 179.97 179.10 3lo3 h ASP 81 N 0.24 0.00 1.08 -3.80 3.32 -0.65 -1.18 116.42 115.42 3lo3 h ASP 81 Ca -0.09 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.79 3lo3 h ASP 81 Cb 1.46 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.99 3lo3 h ASP 81 CO 0.16 0.13 -0.82 -0.07 -1.72 0.00 0.00 179.24 176.92 3lo3 h LEU 82 N 0.00 0.00 -0.24 1.55 3.38 -1.63 -3.41 115.31 114.96 3lo3 h LEU 82 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3lo3 h LEU 82 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3lo3 h LEU 82 CO 0.02 0.82 -0.06 0.61 0.09 0.00 0.00 178.44 179.92 3lo3 n GLY 83 N 1.18 -0.87 3.67 0.83 0.00 -0.45 -3.40 105.19 106.14 3lo3 n GLY 83 Ca 0.00 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.31 5.77 0.23 1.61 -0.00 -1.09 -0.86 116.67 120.02 3lo3 s ASP 85 Ca 0.34 0.13 0.02 0.00 -0.00 0.00 0.00 52.55 53.05 3lo3 s ASP 85 Cb 0.21 -1.98 -0.01 0.00 -0.00 0.00 0.00 42.92 41.14 3lo3 s ASP 85 CO 0.43 0.19 0.25 -1.54 -0.00 0.00 0.00 175.17 174.51 3lo3 n SER 86 N 3.42 -0.68 -3.75 0.27 3.41 -1.26 -1.19 113.62 113.84 3lo3 n SER 86 Ca -0.17 -2.40 -0.13 0.00 -0.26 0.00 0.00 58.87 55.92 3lo3 n SER 86 Cb 0.52 1.39 -0.13 0.00 -0.26 0.00 0.00 64.21 65.74 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 -2.76 0.22 -0.26 4.33 -2.07 -0.64 -4.96 119.66 113.53 3lo3 s GLN 87 Ca 0.24 0.46 0.01 0.00 -1.82 0.00 0.00 55.36 54.25 3lo3 s GLN 87 Cb 0.00 -0.05 0.05 0.00 -1.09 0.00 0.00 33.01 31.92 3lo3 s GLN 87 CO 0.17 -0.13 -0.09 -0.06 -1.32 0.00 0.00 175.29 173.86 3lo3 s PHE 88 N 0.93 3.19 -0.19 9.60 2.99 -1.26 -2.16 117.98 131.08 3lo3 s PHE 88 Ca -0.07 -2.07 -0.06 0.00 0.00 0.00 0.00 56.93 54.73 3lo3 s PHE 88 Cb -0.08 -1.98 -0.03 0.00 0.00 0.00 0.00 43.02 40.93 3lo3 s PHE 88 CO -0.06 -0.84 0.03 -0.65 -0.00 0.00 0.00 175.22 173.70 3lo3 s GLN 89 N 1.18 3.79 -0.22 0.44 1.11 0.25 -4.96 119.66 121.26 3lo3 s GLN 89 Ca -0.06 -0.44 -0.18 0.00 0.01 0.00 0.00 55.36 54.70 3lo3 s GLN 89 Cb -0.19 -3.13 -0.03 0.00 -1.01 0.00 0.00 33.01 28.65 3lo3 s GLN 89 CO -0.05 0.16 0.50 -1.17 0.01 0.00 0.00 175.29 174.73 3lo3 s LEU 90 N 0.65 4.11 -0.15 2.90 0.20 -1.26 -0.14 118.68 124.98 3lo3 s LEU 90 Ca 0.01 0.59 0.02 0.00 0.69 0.00 0.00 54.13 55.44 3lo3 s LEU 90 Cb -0.14 -2.66 0.01 0.00 -0.43 0.00 0.00 46.19 42.98 3lo3 s LEU 90 CO 0.02 -0.20 -0.21 -0.63 -0.29 0.00 0.00 176.35 175.04 3lo3 s ILE 91 N 1.84 2.09 0.00 6.68 1.01 0.17 -5.01 121.20 127.97 3lo3 s ILE 91 Ca 0.22 -0.95 0.00 0.00 0.00 0.00 0.00 60.65 59.92 3lo3 s ILE 91 Cb -0.15 -1.85 0.00 0.00 0.01 0.00 0.00 42.46 40.47 3lo3 s ILE 91 CO 0.09 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.19