#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2za4 s LYS 1 N 0.00 3.66 -0.02 2.12 2.47 -0.66 -4.92 119.74 122.39 2za4 s LYS 1 Ca 0.00 1.13 0.02 0.00 -1.56 0.00 0.00 55.97 55.56 2za4 s LYS 1 Cb 0.00 -2.09 0.01 0.00 -1.46 0.00 0.00 37.83 34.29 2za4 s LYS 1 CO 0.00 -0.52 -0.06 0.21 0.16 0.00 0.00 175.35 175.14 2za4 s LYS 2 N -3.91 0.68 -0.07 4.03 2.20 -1.26 -0.74 119.74 120.66 2za4 s LYS 2 Ca 0.62 -0.19 0.04 0.00 -0.36 0.00 0.00 55.97 56.08 2za4 s LYS 2 Cb -0.13 -0.67 0.00 0.00 -1.51 0.00 0.00 37.83 35.51 2za4 s LYS 2 CO 0.31 0.06 -0.20 0.00 -0.36 0.00 0.00 175.35 175.17 2za4 s ALA 3 N 0.27 1.80 -0.09 3.13 0.00 0.26 -4.94 121.76 122.19 2za4 s ALA 3 Ca -0.03 -0.78 0.05 0.00 0.00 0.00 0.00 51.96 51.20 2za4 s ALA 3 Cb -0.08 -0.67 -0.00 0.00 0.00 0.00 0.00 23.12 22.37 2za4 s ALA 3 CO -0.00 0.26 -0.24 0.08 0.00 0.00 0.00 175.76 175.86 2za4 s VAL 4 N 0.30 2.11 -0.21 0.00 1.01 -1.26 -0.47 120.40 121.88 2za4 s VAL 4 Ca -0.13 -1.02 -0.00 0.00 0.00 0.00 0.00 61.98 60.84 2za4 s VAL 4 Cb -0.16 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.46 2za4 s VAL 4 CO 0.06 0.56 -0.13 -0.63 0.00 0.00 0.00 175.10 174.96 2za4 s ILE 5 N 0.17 2.46 -0.89 2.22 -1.09 0.32 -4.95 121.20 119.43 2za4 s ILE 5 Ca -0.13 -1.00 -0.19 0.00 -2.23 0.00 0.00 60.65 57.10 2za4 s ILE 5 Cb -0.16 -2.16 0.13 0.00 -1.58 0.00 0.00 42.46 38.69 2za4 s ILE 5 CO 0.07 0.36 1.07 0.20 -1.23 0.00 0.00 174.94 175.41 2za4 s ASN 6 N 1.30 6.59 0.48 3.58 -0.87 -1.26 -0.92 114.94 123.83 2za4 s ASN 6 Ca 0.02 -1.99 0.32 0.00 -1.57 0.00 0.00 52.86 49.64 2za4 s ASN 6 Cb -0.15 -2.38 1.42 0.00 -0.02 0.00 0.00 41.25 40.12 2za4 s ASN 6 CO -0.08 -1.06 1.72 1.23 -2.57 0.00 0.00 177.10 176.34 2za4 h GLY 7 N 10.27 0.69 1.15 0.66 0.00 -0.82 0.82 103.07 115.83 2za4 h GLY 7 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2za4 h GLY 7 CO 1.09 -0.15 0.00 -1.84 0.00 0.00 0.00 176.54 175.64 2za4 n GLU 8 N -4.41 0.63 0.00 4.80 0.00 -1.26 -2.48 120.64 117.92 2za4 n GLU 8 Ca 0.31 0.02 0.06 0.00 0.00 0.00 0.00 57.16 57.55 2za4 n GLU 8 Cb 1.30 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 31.21 2za4 n GLU 8 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 2za4 n GLN 9 N -1.07 2.29 -2.86 3.44 6.02 0.28 -4.93 117.38 120.55 2za4 n GLN 9 Ca 0.16 -0.45 -0.42 0.00 -0.01 0.00 0.00 57.00 56.28 2za4 n GLN 9 Cb 0.11 -1.14 -0.04 0.00 1.02 0.00 0.00 30.24 30.19 2za4 n GLN 9 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2za4 s ILE 10 N -1.81 4.75 -1.17 5.09 1.01 -1.03 -4.91 121.20 123.12 2za4 s ILE 10 Ca 0.08 1.42 0.10 0.00 0.00 0.00 0.00 60.65 62.26 2za4 s ILE 10 Cb 0.10 -4.20 0.05 0.00 0.01 0.00 0.00 42.46 38.42 2za4 s ILE 10 CO 0.39 -0.25 0.76 -2.11 0.00 0.00 0.00 174.94 173.73 2za4 n ARG 11 N 6.29 1.13 -3.70 2.79 1.85 -1.26 -4.75 116.66 119.00 2za4 n ARG 11 Ca 0.06 -0.92 -0.02 0.00 -1.00 0.00 0.00 57.85 55.97 2za4 n ARG 11 Cb 0.48 -1.16 -0.01 0.00 -1.05 0.00 0.00 32.46 30.72 2za4 n ARG 11 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 2za4 s SER 12 N -1.08 -0.14 0.30 2.89 1.04 -1.26 -4.86 113.70 110.58 2za4 s SER 12 Ca 0.11 -0.31 0.05 0.00 0.48 0.00 0.00 55.95 56.28 2za4 s SER 12 Cb 0.09 0.37 0.46 0.00 0.10 0.00 0.00 66.02 67.04 2za4 s SER 12 CO 0.18 -0.69 1.73 -0.29 0.98 0.00 0.00 173.24 175.15 2za4 h ILE 13 N 2.00 1.28 -0.30 -1.02 6.09 -1.85 -1.33 117.51 122.38 2za4 h ILE 13 Ca -0.26 -1.35 -0.03 0.00 -1.37 0.00 0.00 64.86 61.85 2za4 h ILE 13 Cb 1.22 1.51 -0.01 0.00 0.47 0.00 0.00 36.82 40.01 2za4 h ILE 13 CO 0.26 0.41 0.07 -1.28 -3.07 0.00 0.00 178.15 174.55 2za4 h SER 14 N 0.29 0.46 -0.57 2.19 0.87 -1.94 -2.12 113.55 112.73 2za4 h SER 14 Ca 0.04 -0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.36 2za4 h SER 14 Cb 0.72 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.53 2za4 h SER 14 CO 0.05 0.58 0.34 -0.78 -0.53 0.00 0.00 176.83 176.49 2za4 h ASP 15 N 0.32 0.71 -0.44 6.23 3.58 -1.88 -0.96 116.42 123.98 2za4 h ASP 15 Ca 0.09 -0.04 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 2za4 h ASP 15 Cb 0.30 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 2za4 h ASP 15 CO 0.00 0.56 0.20 0.25 -2.88 0.00 0.00 179.24 177.37 2za4 h LEU 16 N 0.81 0.59 -0.81 2.28 5.85 -0.86 -1.44 115.31 121.74 2za4 h LEU 16 Ca 0.21 -0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 2za4 h LEU 16 Cb -0.00 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 2za4 h LEU 16 CO -0.04 0.58 -0.07 0.45 -0.34 0.00 0.00 178.44 179.02 2za4 h HIS 17 N 0.57 0.90 -0.76 1.25 3.86 -0.73 -1.53 115.15 118.71 2za4 h HIS 17 Ca 0.15 -0.15 -0.06 0.00 -1.16 0.00 0.00 60.37 59.15 2za4 h HIS 17 Cb 0.15 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.35 2za4 h HIS 17 CO -0.00 0.86 0.25 1.96 0.86 0.00 0.00 177.93 181.85 2za4 h GLN 18 N 0.75 1.17 -0.44 2.45 4.20 -0.94 -0.29 115.11 122.01 2za4 h GLN 18 Ca 0.13 -0.25 -0.07 0.00 0.06 0.00 0.00 58.65 58.52 2za4 h GLN 18 Cb 0.56 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 2za4 h GLN 18 CO 0.03 0.99 -0.01 1.15 -0.67 0.00 0.00 178.83 180.32 2za4 h THR 19 N 1.13 1.26 -0.71 -0.54 2.02 -1.01 -2.09 112.91 112.98 2za4 h THR 19 Ca 0.25 -1.06 -0.03 0.00 0.77 0.00 0.00 66.41 66.33 2za4 h THR 19 Cb 0.30 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 2za4 h THR 19 CO -0.01 0.36 0.31 -0.07 0.37 0.00 0.00 175.52 176.48 2za4 h LEU 20 N 0.63 0.95 -0.81 2.58 3.38 -1.01 0.11 115.31 121.14 2za4 h LEU 20 Ca 0.12 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 57.99 2za4 h LEU 20 Cb 0.51 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 2za4 h LEU 20 CO 0.02 0.85 0.50 0.50 0.09 0.00 0.00 178.44 180.40 2za4 h LYS 21 N 1.00 0.91 0.14 1.13 3.64 -0.83 0.02 116.57 122.58 2za4 h LYS 21 Ca 0.24 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 2za4 h LYS 21 Cb 0.17 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 2za4 h LYS 21 CO -0.02 0.60 -0.07 -0.22 -2.27 0.00 0.00 179.45 177.47 2za4 h LYS 22 N 0.94 -0.18 -0.94 1.90 1.63 -0.86 -0.39 116.57 118.68 2za4 h LYS 22 Ca 0.34 0.01 0.03 0.00 -0.85 0.00 0.00 60.65 60.19 2za4 h LYS 22 Cb 0.11 0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 31.73 2za4 h LYS 22 CO -0.15 0.29 0.61 0.93 -3.45 0.00 0.00 179.45 177.68 2za4 h GLU 23 N -0.80 1.15 -0.20 1.90 4.39 -0.70 -2.41 114.58 117.92 2za4 h GLU 23 Ca -0.02 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.61 2za4 h GLU 23 Cb 0.54 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2za4 h GLU 23 CO 0.03 0.76 0.00 1.28 -1.16 0.00 0.00 179.01 179.92 2za4 n LEU 24 N -4.44 2.43 -3.85 1.33 4.77 -0.02 -4.87 117.00 112.36 2za4 n LEU 24 Ca 0.12 -0.97 -0.25 0.00 -0.03 0.00 0.00 56.01 54.88 2za4 n LEU 24 Cb 0.09 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2za4 n LEU 24 CO 0.35 0.49 -0.17 0.00 -1.33 0.00 0.00 177.39 176.72 2za4 n ALA 25 N 0.84 -2.07 -1.45 -1.18 0.00 -0.77 -4.91 120.51 110.96 2za4 n ALA 25 Ca 0.17 -0.24 -0.30 0.00 0.00 0.00 0.00 53.44 53.07 2za4 n ALA 25 Cb 0.47 -1.89 0.09 0.00 0.00 0.00 0.00 19.45 18.11 2za4 n ALA 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2za4 s LEU 26 N -6.83 2.79 0.65 0.00 1.43 -0.23 -4.99 118.68 111.50 2za4 s LEU 26 Ca 0.05 1.52 -0.18 0.00 -1.03 0.00 0.00 54.13 54.50 2za4 s LEU 26 Cb -0.02 -4.20 -0.02 0.00 0.03 0.00 0.00 46.19 41.98 2za4 s LEU 26 CO 0.86 -1.92 1.15 -2.65 0.23 0.00 0.00 176.35 174.03 2za4 n PRO 27 N -3.43 0.93 -0.02 1.29 -0.02 -1.26 -4.88 135.00 127.62 2za4 n PRO 27 Ca 0.08 0.37 0.20 0.00 -2.02 0.00 0.00 63.50 62.12 2za4 n PRO 27 Cb 0.55 -2.39 0.67 0.00 -0.02 0.00 0.00 33.50 32.31 2za4 n PRO 27 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2za4 h GLU 28 N 0.35 0.05 -0.18 -0.52 4.11 -1.99 -1.23 114.58 115.17 2za4 h GLU 28 Ca -0.50 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 2za4 h GLU 28 Cb 1.35 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2za4 h GLU 28 CO 0.51 0.03 0.00 2.48 0.07 0.00 0.00 179.01 182.11 2za4 n TYR 29 N -4.39 0.24 -1.57 2.06 0.18 -1.26 -4.97 117.16 107.45 2za4 n TYR 29 Ca 0.10 -0.12 -0.61 0.00 1.88 0.00 0.00 57.90 59.15 2za4 n TYR 29 Cb 0.60 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.47 2za4 n TYR 29 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 2za4 n TYR 30 N 0.19 1.30 0.33 -3.48 9.36 -0.47 -4.81 117.16 119.58 2za4 n TYR 30 Ca 0.14 1.06 0.08 0.00 3.32 0.00 0.00 57.90 62.50 2za4 n TYR 30 Cb 0.27 -2.06 0.37 0.00 -0.63 0.00 0.00 39.34 37.29 2za4 n TYR 30 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2za4 n GLY 31 N 2.97 -1.00 3.73 2.98 0.00 -1.26 -4.92 105.19 107.69 2za4 n GLY 31 Ca 0.26 0.04 -0.23 0.00 0.00 0.00 0.00 46.02 46.09 2za4 n GLY 31 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2za4 n GLU 32 N -1.87 -5.18 -4.01 1.61 1.02 -1.26 -4.96 120.64 105.99 2za4 n GLU 32 Ca 0.02 0.63 -0.09 0.00 -0.02 0.00 0.00 57.16 57.70 2za4 n GLU 32 Cb 0.14 -5.28 -0.06 0.00 -0.02 0.00 0.00 31.44 26.23 2za4 n GLU 32 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2za4 s ASN 33 N -4.14 -0.08 0.33 1.62 2.20 -1.26 -4.98 114.94 108.63 2za4 s ASN 33 Ca 0.14 -0.95 0.01 0.00 -0.94 0.00 0.00 52.86 51.12 2za4 s ASN 33 Cb -0.07 0.58 0.57 0.00 -2.00 0.00 0.00 41.25 40.32 2za4 s ASN 33 CO 0.81 -1.13 1.98 -0.07 -2.94 0.00 0.00 177.10 175.75 2za4 h LEU 34 N 2.27 0.77 -0.48 3.54 3.38 -1.98 -0.47 115.31 122.34 2za4 h LEU 34 Ca -0.26 -0.04 -0.16 0.00 0.09 0.00 0.00 57.88 57.51 2za4 h LEU 34 Cb 1.25 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2za4 h LEU 34 CO 0.36 0.59 -0.44 0.44 0.09 0.00 0.00 178.44 179.48 2za4 h ASP 35 N 0.89 0.83 -0.17 -0.43 3.32 -1.99 -1.47 116.42 117.40 2za4 h ASP 35 Ca 0.24 -0.40 -0.11 0.00 0.02 0.00 0.00 57.03 56.78 2za4 h ASP 35 Cb -0.04 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.26 2za4 h ASP 35 CO -0.05 1.15 -0.24 0.00 -1.72 0.00 0.00 179.24 178.38 2za4 h ALA 36 N 0.88 0.99 -0.19 3.45 0.00 -1.82 -0.97 119.26 121.60 2za4 h ALA 36 Ca 0.04 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2za4 h ALA 36 Cb 1.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2za4 h ALA 36 CO 0.10 0.60 0.03 1.25 0.00 0.00 0.00 179.25 181.22 2za4 h LEU 37 N 0.55 0.31 -0.84 0.00 5.85 -0.90 -0.49 115.31 119.78 2za4 h LEU 37 Ca 0.08 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.58 2za4 h LEU 37 Cb 0.70 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 2za4 h LEU 37 CO 0.05 0.49 0.54 -0.25 -0.34 0.00 0.00 178.44 178.93 2za4 h TRP 38 N 0.11 1.00 -0.80 1.25 2.91 -1.10 0.42 115.95 119.74 2za4 h TRP 38 Ca 0.06 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.10 2za4 h TRP 38 Cb 0.32 -0.33 -0.04 0.00 -0.51 0.00 0.00 29.16 28.60 2za4 h TRP 38 CO 0.02 0.56 0.49 0.00 -1.03 0.00 0.00 178.44 178.48 2za4 h ALA 39 N 1.36 1.36 -0.18 2.65 0.00 -0.86 -1.13 119.26 122.47 2za4 h ALA 39 Ca 0.34 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 2za4 h ALA 39 Cb 0.05 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 2za4 h ALA 39 CO -0.13 0.56 -0.58 0.00 0.00 0.00 0.00 179.25 179.10 2za4 h ALA 40 N 1.44 0.65 0.00 0.00 0.00 0.16 0.11 119.26 121.63 2za4 h ALA 40 Ca 0.29 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2za4 h ALA 40 Cb -0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2za4 h ALA 40 CO -0.06 0.70 -0.09 -0.07 0.00 0.00 0.00 179.25 179.73 2za4 h LEU 41 N 0.43 0.00 0.00 0.00 3.38 -0.46 -0.53 115.31 118.13 2za4 h LEU 41 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2za4 h LEU 41 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2za4 h LEU 41 CO 0.11 0.09 -0.62 0.35 0.09 0.00 0.00 178.44 178.46 2za4 n THR 42 N -3.16 0.00 -2.30 0.22 -2.24 -0.47 -4.67 114.28 101.66 2za4 n THR 42 Ca 0.02 -0.19 0.02 0.00 -2.27 0.00 0.00 64.05 61.63 2za4 n THR 42 Cb 0.45 1.00 0.01 0.00 -2.10 0.00 0.00 70.33 69.69 2za4 n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2za4 n GLY 43 N 1.31 0.80 2.12 3.38 0.00 0.38 -4.98 105.19 108.20 2za4 n GLY 43 Ca 0.02 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2za4 n GLY 43 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2za4 n TRP 44 N 0.30 -3.57 -1.78 1.61 -0.00 -0.77 -4.90 117.44 108.32 2za4 n TRP 44 Ca 0.03 0.87 -0.41 0.00 -0.00 0.00 0.00 57.50 57.99 2za4 n TRP 44 Cb 0.96 2.34 -0.01 0.00 -0.00 0.00 0.00 31.31 34.61 2za4 n TRP 44 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 2za4 s VAL 45 N -2.00 2.05 -0.09 5.87 1.01 -0.28 -4.99 120.40 121.97 2za4 s VAL 45 Ca 0.00 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 2za4 s VAL 45 Cb 0.00 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 2za4 s VAL 45 CO 0.00 0.01 0.14 -1.61 0.00 0.00 0.00 175.10 173.64 2za4 s GLU 46 N -1.17 3.39 0.31 2.72 2.02 -1.26 -4.91 118.70 119.80 2za4 s GLU 46 Ca 0.59 -0.21 0.09 0.00 0.02 0.00 0.00 54.97 55.46 2za4 s GLU 46 Cb -0.47 -3.13 -0.04 0.00 0.10 0.00 0.00 34.13 30.59 2za4 s GLU 46 CO 0.54 0.75 0.05 0.71 0.02 0.00 0.00 175.26 177.33 2za4 s TYR 47 N -1.09 2.67 0.54 1.61 2.02 -1.26 -4.40 117.35 117.44 2za4 s TYR 47 Ca 0.18 -0.32 -0.20 0.00 -0.37 0.00 0.00 57.07 56.36 2za4 s TYR 47 Cb -0.12 -1.40 -0.06 0.00 -0.40 0.00 0.00 41.96 39.98 2za4 s TYR 47 CO 0.08 0.50 1.16 -1.25 -1.57 0.00 0.00 175.55 174.46 2za4 s PRO 48 N -3.74 3.34 -0.03 -1.71 0.04 -1.26 -4.95 135.00 126.70 2za4 s PRO 48 Ca 0.34 1.71 0.04 0.00 0.04 0.00 0.00 61.00 63.12 2za4 s PRO 48 Cb -0.04 -2.07 -0.00 0.00 0.04 0.00 0.00 34.50 32.43 2za4 s PRO 48 CO 0.21 -0.88 -0.13 -1.17 0.04 0.00 0.00 177.00 175.07 2za4 s LEU 49 N -3.70 1.89 -0.26 -3.56 2.96 -0.41 -1.66 118.68 113.94 2za4 s LEU 49 Ca 0.72 -0.26 -0.04 0.00 -0.22 0.00 0.00 54.13 54.33 2za4 s LEU 49 Cb -0.27 -0.74 0.01 0.00 0.50 0.00 0.00 46.19 45.69 2za4 s LEU 49 CO 0.30 0.12 -0.00 -0.69 -1.32 0.00 0.00 176.35 174.76 2za4 s VAL 50 N 0.01 3.41 -0.36 1.68 1.01 0.08 -1.16 120.40 125.07 2za4 s VAL 50 Ca -0.01 -0.76 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 2za4 s VAL 50 Cb -0.09 -2.70 0.02 0.00 0.00 0.00 0.00 36.38 33.61 2za4 s VAL 50 CO 0.01 0.21 0.20 -0.22 0.00 0.00 0.00 175.10 175.30 2za4 s LEU 51 N 1.43 4.57 -0.33 3.92 2.96 0.34 -0.57 118.68 130.99 2za4 s LEU 51 Ca 0.02 -0.83 -0.10 0.00 -0.22 0.00 0.00 54.13 53.00 2za4 s LEU 51 Cb -0.16 -2.03 0.00 0.00 0.50 0.00 0.00 46.19 44.50 2za4 s LEU 51 CO -0.02 -0.33 0.18 -0.70 -1.32 0.00 0.00 176.35 174.16 2za4 s GLU 52 N 1.59 3.23 -0.49 1.98 2.12 0.38 -0.59 118.70 126.92 2za4 s GLU 52 Ca 0.03 -0.80 -0.06 0.00 0.36 0.00 0.00 54.97 54.50 2za4 s GLU 52 Cb -0.18 -3.64 0.13 0.00 0.26 0.00 0.00 34.13 30.69 2za4 s GLU 52 CO 0.07 -0.49 0.33 -0.46 -0.54 0.00 0.00 175.26 174.16 2za4 s TRP 53 N 1.61 3.50 0.36 5.30 -0.11 0.38 -0.52 118.94 129.47 2za4 s TRP 53 Ca 0.04 -2.24 -0.23 0.00 1.22 0.00 0.00 56.10 54.89 2za4 s TRP 53 Cb -0.18 -3.36 -0.10 0.00 -1.50 0.00 0.00 33.47 28.33 2za4 s TRP 53 CO 0.07 -0.96 0.93 1.03 -4.62 0.00 0.00 176.95 173.40 2za4 s ARG 54 N 0.97 4.40 -1.41 5.86 0.52 -0.10 -2.59 118.95 126.61 2za4 s ARG 54 Ca 0.09 1.20 -0.01 0.00 -0.52 0.00 0.00 55.73 56.49 2za4 s ARG 54 Cb -0.23 -2.53 0.01 0.00 0.52 0.00 0.00 34.95 32.72 2za4 s ARG 54 CO -0.03 0.15 0.51 1.04 0.02 0.00 0.00 175.30 176.99 2za4 n GLN 55 N 0.02 -3.67 -0.31 3.54 1.13 -0.22 -0.23 117.38 117.64 2za4 n GLN 55 Ca 0.04 0.45 0.04 0.00 -1.94 0.00 0.00 57.00 55.59 2za4 n GLN 55 Cb 0.52 -4.71 0.24 0.00 0.11 0.00 0.00 30.24 26.39 2za4 n GLN 55 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 2za4 h PHE 56 N -1.83 1.05 -0.89 1.08 3.57 -1.74 -1.61 116.94 116.57 2za4 h PHE 56 Ca -0.62 0.03 0.18 0.00 3.53 0.00 0.00 57.97 61.09 2za4 h PHE 56 Cb 1.37 -0.35 -0.07 0.00 2.79 0.00 0.00 35.95 39.70 2za4 h PHE 56 CO 0.49 0.55 0.58 1.05 -2.23 0.00 0.00 178.31 178.76 2za4 h GLU 57 N 1.04 0.49 -0.28 1.11 9.09 -1.92 -0.12 114.58 124.00 2za4 h GLU 57 Ca 0.39 -0.03 -0.16 0.00 0.05 0.00 0.00 59.36 59.61 2za4 h GLU 57 Cb 0.19 -0.11 -0.00 0.00 -1.65 0.00 0.00 28.75 27.18 2za4 h GLU 57 CO -0.15 0.33 -0.44 1.96 0.05 0.00 0.00 179.01 180.76 2za4 h GLN 58 N 0.51 0.79 -0.69 1.06 4.20 -1.60 -2.73 115.11 116.65 2za4 h GLN 58 Ca 0.46 -0.48 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 2za4 h GLN 58 Cb 1.00 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.80 2za4 h GLN 58 CO -0.20 1.11 0.35 0.77 -0.67 0.00 0.00 178.83 180.19 2za4 h SER 59 N 0.54 0.87 -0.76 1.46 0.02 -1.01 -1.37 113.55 113.29 2za4 h SER 59 Ca 0.02 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2za4 h SER 59 Cb 1.04 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.32 2za4 h SER 59 CO 0.10 0.72 0.47 0.50 -1.14 0.00 0.00 176.83 177.48 2za4 h LYS 60 N 0.97 1.03 0.51 3.45 3.64 -1.01 0.11 116.57 125.27 2za4 h LYS 60 Ca 0.24 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 2za4 h LYS 60 Cb 0.07 -0.22 0.01 0.00 -0.41 0.00 0.00 32.23 31.68 2za4 h LYS 60 CO -0.03 0.71 -0.25 1.96 -2.27 0.00 0.00 179.45 179.57 2za4 h GLN 61 N 1.04 -0.66 0.00 1.90 1.08 -1.06 -2.25 115.11 115.16 2za4 h GLN 61 Ca 0.27 0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.52 2za4 h GLN 61 Cb -0.06 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.52 2za4 h GLN 61 CO -0.05 -0.37 0.00 1.28 -0.95 0.00 0.00 178.83 178.74 2za4 n LEU 62 N -5.26 0.11 -0.12 1.46 4.77 -0.59 -4.82 117.00 112.54 2za4 n LEU 62 Ca -0.10 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 2za4 n LEU 62 Cb 0.31 -0.56 -0.00 0.00 -2.33 0.00 0.00 43.42 40.84 2za4 n LEU 62 CO 0.27 -0.56 -0.04 0.41 -1.33 0.00 0.00 177.39 176.14 2za4 n THR 63 N -1.64 -0.19 0.00 -5.08 -1.04 0.39 -4.34 114.28 102.38 2za4 n THR 63 Ca 0.00 0.11 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 2za4 n THR 63 Cb 0.02 -0.17 0.00 0.00 -1.82 0.00 0.00 70.33 68.36 2za4 n THR 63 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 2za4 n ASN 65 N -1.75 0.00 0.14 8.00 0.23 -1.03 -3.95 115.26 116.90 2za4 n ASN 65 Ca -0.00 0.00 0.01 0.00 -0.53 0.00 0.00 54.58 54.06 2za4 n ASN 65 Cb 0.04 0.00 0.15 0.00 -2.08 0.00 0.00 39.78 37.89 2za4 n ASN 65 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 2za4 h GLY 66 N 0.00 0.00 0.99 4.83 0.00 -1.90 -3.19 103.07 103.80 2za4 h GLY 66 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 2za4 h GLY 66 CO 0.00 0.00 0.14 0.00 0.00 0.00 0.00 176.54 176.68 2za4 h ALA 67 N 1.43 0.71 -0.39 3.60 0.00 -1.82 -2.45 119.26 120.35 2za4 h ALA 67 Ca -0.01 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 2za4 h ALA 67 Cb 1.21 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2za4 h ALA 67 CO 0.07 0.40 -0.00 1.49 0.00 0.00 0.00 179.25 181.21 2za4 h GLU 68 N 0.76 0.61 -0.32 0.00 4.57 -1.93 -0.27 114.58 117.99 2za4 h GLU 68 Ca 0.17 -0.14 -0.09 0.00 -1.18 0.00 0.00 59.36 58.12 2za4 h GLU 68 Cb 0.32 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 2za4 h GLU 68 CO -0.00 0.64 -0.18 0.66 -1.18 0.00 0.00 179.01 178.95 2za4 h SER 69 N 0.58 0.59 -0.17 1.04 4.64 -1.49 0.12 113.55 118.87 2za4 h SER 69 Ca 0.12 -0.18 -0.08 0.00 -0.47 0.00 0.00 61.79 61.18 2za4 h SER 69 Cb 0.38 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2za4 h SER 69 CO 0.01 0.78 -0.22 0.58 -0.87 0.00 0.00 176.83 177.12 2za4 h VAL 70 N 0.53 1.35 -0.98 0.95 2.07 -0.95 -2.80 116.25 116.42 2za4 h VAL 70 Ca 0.09 -1.42 0.04 0.00 0.82 0.00 0.00 66.70 66.23 2za4 h VAL 70 Cb 0.61 1.87 -0.06 0.00 -1.52 0.00 0.00 31.29 32.20 2za4 h VAL 70 CO 0.04 0.42 0.64 0.25 0.02 0.00 0.00 177.57 178.94 2za4 h LEU 71 N 0.09 1.06 -1.36 2.57 5.85 -0.82 -1.99 115.31 120.70 2za4 h LEU 71 Ca 0.02 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.76 2za4 h LEU 71 Cb 0.78 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 2za4 h LEU 71 CO 0.05 0.72 0.45 1.56 -0.34 0.00 0.00 178.44 180.88 2za4 h GLN 72 N 1.23 0.83 -0.56 1.25 4.20 -0.85 -1.41 115.11 119.80 2za4 h GLN 72 Ca 0.39 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.96 2za4 h GLN 72 Cb 0.01 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 2za4 h GLN 72 CO -0.13 0.55 -0.01 0.28 -0.67 0.00 0.00 178.83 178.84 2za4 h VAL 73 N 0.85 1.26 -0.46 -0.54 2.07 -1.10 0.14 116.25 118.47 2za4 h VAL 73 Ca 0.26 -1.13 -0.06 0.00 0.82 0.00 0.00 66.70 66.59 2za4 h VAL 73 Cb -0.00 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 2za4 h VAL 73 CO -0.07 0.40 0.06 -0.26 0.02 0.00 0.00 177.57 177.73 2za4 h PHE 74 N 0.89 0.83 -0.32 1.57 0.04 -1.19 -1.14 116.94 117.61 2za4 h PHE 74 Ca 0.16 -0.12 -0.08 0.00 2.80 0.00 0.00 57.97 60.73 2za4 h PHE 74 Cb 0.54 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.45 2za4 h PHE 74 CO 0.03 0.78 -0.12 0.00 -0.60 0.00 0.00 178.31 178.40 2za4 h ARG 75 N 0.63 0.56 -0.36 1.51 3.08 -1.01 -1.21 114.38 117.58 2za4 h ARG 75 Ca 0.14 -0.17 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 2za4 h ARG 75 Cb 0.41 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 2za4 h ARG 75 CO 0.01 0.68 -0.08 1.49 -1.07 0.00 0.00 179.97 180.99 2za4 h GLU 76 N 0.52 0.70 -0.92 0.04 4.81 -0.74 -0.87 114.58 118.12 2za4 h GLU 76 Ca 0.09 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2za4 h GLU 76 Cb 0.52 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.82 2za4 h GLU 76 CO 0.03 0.85 0.59 0.00 -0.73 0.00 0.00 179.01 179.76 2za4 h ALA 77 N 0.82 1.31 -0.38 2.92 0.00 -0.91 -0.51 119.26 122.52 2za4 h ALA 77 Ca 0.09 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2za4 h ALA 77 Cb 0.59 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2za4 h ALA 77 CO 0.04 0.62 0.13 -0.22 0.00 0.00 0.00 179.25 179.82 2za4 h LYS 78 N 1.25 0.57 -0.08 0.00 3.64 -0.94 -1.18 116.57 119.84 2za4 h LYS 78 Ca 0.33 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.56 2za4 h LYS 78 Cb -0.12 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 2za4 h LYS 78 CO -0.07 0.57 -0.12 0.00 -2.27 0.00 0.00 179.45 177.56 2za4 h ALA 79 N 0.98 1.65 -0.72 5.00 0.00 -0.55 -2.74 119.26 122.87 2za4 h ALA 79 Ca 0.12 -0.16 -0.38 0.00 0.00 0.00 0.00 54.91 54.49 2za4 h ALA 79 Cb 0.23 -0.06 -0.22 0.00 0.00 0.00 0.00 17.79 17.74 2za4 h ALA 79 CO -0.01 0.26 0.49 0.39 0.00 0.00 0.00 179.25 180.38 2za4 n GLU 80 N -4.33 1.93 0.00 0.00 -0.58 -0.26 -4.90 120.64 112.50 2za4 n GLU 80 Ca -0.01 -2.19 0.00 0.00 -0.42 0.00 0.00 57.16 54.54 2za4 n GLU 80 Cb 0.23 -1.86 0.00 0.00 -0.57 0.00 0.00 31.44 29.24 2za4 n GLU 80 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2za4 n GLY 81 N -0.66 2.98 3.71 0.62 0.00 -1.03 -4.99 105.19 105.81 2za4 n GLY 81 Ca 0.43 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.03 2za4 n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2za4 s ALA 82 N -2.69 3.62 -1.16 4.61 0.00 -0.50 -4.90 121.76 120.75 2za4 s ALA 82 Ca 0.00 1.11 -0.20 0.00 0.00 0.00 0.00 51.96 52.87 2za4 s ALA 82 Cb 0.00 -3.58 0.07 0.00 0.00 0.00 0.00 23.12 19.61 2za4 s ALA 82 CO 0.00 -0.76 1.58 0.34 0.00 0.00 0.00 175.76 176.93 2za4 s ASP 83 N 1.44 6.69 -0.06 0.00 3.68 -1.26 -4.29 116.67 122.87 2za4 s ASP 83 Ca 0.66 -2.01 0.06 0.00 2.13 0.00 0.00 52.55 53.39 2za4 s ASP 83 Cb -0.37 -2.56 -0.01 0.00 -1.45 0.00 0.00 42.92 38.52 2za4 s ASP 83 CO 0.30 -1.30 -0.23 -0.63 0.13 0.00 0.00 175.17 173.43 2za4 s ILE 84 N 4.43 2.23 -0.16 4.11 1.01 -1.26 -1.29 121.20 130.27 2za4 s ILE 84 Ca 0.49 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 60.15 2za4 s ILE 84 Cb 0.02 -1.82 0.01 0.00 0.01 0.00 0.00 42.46 40.68 2za4 s ILE 84 CO -0.01 0.57 -0.19 -0.89 0.00 0.00 0.00 174.94 174.42 2za4 s THR 85 N -0.21 2.22 -0.19 2.92 2.01 -0.31 -4.98 115.64 117.10 2za4 s THR 85 Ca -0.02 -0.91 -0.06 0.00 0.31 0.00 0.00 61.69 61.01 2za4 s THR 85 Cb -0.13 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.42 2za4 s THR 85 CO 0.03 0.53 0.03 -0.63 -0.69 0.00 0.00 174.62 173.90 2za4 s ILE 86 N 1.07 4.38 -0.26 1.82 1.01 -1.26 -0.50 121.20 127.45 2za4 s ILE 86 Ca -0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 60.65 60.47 2za4 s ILE 86 Cb -0.14 -2.98 0.04 0.00 0.01 0.00 0.00 42.46 39.39 2za4 s ILE 86 CO -0.07 0.44 -0.06 -0.63 0.00 0.00 0.00 174.94 174.62 2za4 s ILE 87 N 0.70 2.68 -0.57 2.92 -1.09 0.24 -4.98 121.20 121.10 2za4 s ILE 87 Ca 0.02 -1.30 -0.17 0.00 -2.23 0.00 0.00 60.65 56.97 2za4 s ILE 87 Cb -0.14 -2.46 0.12 0.00 -1.58 0.00 0.00 42.46 38.40 2za4 s ILE 87 CO 0.02 0.06 0.58 -0.76 -1.23 0.00 0.00 174.94 173.61 2za4 s LEU 88 N 1.24 5.94 0.00 2.97 1.43 -1.26 -0.47 118.68 128.53 2za4 s LEU 88 Ca -0.04 -1.71 0.07 0.00 -1.03 0.00 0.00 54.13 51.43 2za4 s LEU 88 Cb -0.18 -2.24 0.06 0.00 0.03 0.00 0.00 46.19 43.85 2za4 s LEU 88 CO -0.04 -0.94 0.73 -1.54 0.23 0.00 0.00 176.35 174.79