#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2za4 n LYS 1 N 0.00 2.58 -4.05 3.17 3.00 -1.25 -4.92 118.16 116.69 2za4 n LYS 1 Ca 0.00 0.94 -0.23 0.00 -0.00 0.00 0.00 58.31 59.01 2za4 n LYS 1 Cb 0.00 -2.78 -0.17 0.00 0.00 0.00 0.00 35.03 32.08 2za4 n LYS 1 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2za4 s LYS 2 N 1.91 1.10 -0.11 1.64 2.20 -1.26 -1.33 119.74 123.88 2za4 s LYS 2 Ca 0.80 -0.14 0.01 0.00 -0.36 0.00 0.00 55.97 56.28 2za4 s LYS 2 Cb -0.55 -1.17 -0.01 0.00 -1.51 0.00 0.00 37.83 34.58 2za4 s LYS 2 CO 0.37 -0.17 -0.15 0.00 -0.36 0.00 0.00 175.35 175.03 2za4 s ALA 3 N 1.37 2.54 -0.10 3.13 0.00 -0.05 -4.95 121.76 123.71 2za4 s ALA 3 Ca -0.03 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.05 2za4 s ALA 3 Cb -0.14 -1.10 -0.01 0.00 0.00 0.00 0.00 23.12 21.88 2za4 s ALA 3 CO -0.03 0.29 -0.22 0.08 0.00 0.00 0.00 175.76 175.88 2za4 s VAL 4 N 0.22 2.26 -0.21 0.00 1.01 -1.26 -0.75 120.40 121.66 2za4 s VAL 4 Ca -0.10 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 60.94 2za4 s VAL 4 Cb -0.16 -1.87 0.04 0.00 0.00 0.00 0.00 36.38 34.39 2za4 s VAL 4 CO 0.06 0.56 -0.16 -0.63 0.00 0.00 0.00 175.10 174.93 2za4 s ILE 5 N 0.22 2.07 -0.64 2.22 -1.09 0.14 -4.96 121.20 119.16 2za4 s ILE 5 Ca -0.14 -1.23 -0.21 0.00 -2.23 0.00 0.00 60.65 56.84 2za4 s ILE 5 Cb -0.17 -2.02 0.09 0.00 -1.58 0.00 0.00 42.46 38.78 2za4 s ILE 5 CO 0.07 0.28 0.86 0.20 -1.23 0.00 0.00 174.94 175.11 2za4 s ASN 6 N 1.22 6.20 0.45 3.58 0.01 -1.26 -0.77 114.94 124.37 2za4 s ASN 6 Ca -0.01 -1.25 0.24 0.00 -0.71 0.00 0.00 52.86 51.13 2za4 s ASN 6 Cb -0.16 -2.36 1.25 0.00 0.41 0.00 0.00 41.25 40.38 2za4 s ASN 6 CO -0.09 -1.28 1.81 1.23 -1.51 0.00 0.00 177.10 177.26 2za4 h GLY 7 N 10.68 0.72 1.98 0.66 0.00 -0.91 -0.55 103.07 115.66 2za4 h GLY 7 Ca -0.27 -0.13 -0.04 0.00 0.00 0.00 0.00 47.33 46.89 2za4 h GLY 7 CO 1.14 -0.06 -0.20 1.05 0.00 0.00 0.00 176.54 178.46 2za4 h GLU 8 N 0.26 0.02 -0.00 4.80 9.09 -1.78 -2.42 114.58 124.55 2za4 h GLU 8 Ca 0.54 -0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.94 2za4 h GLU 8 Cb 1.62 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.72 2za4 h GLU 8 CO -0.17 0.23 -0.28 1.04 0.05 0.00 0.00 179.01 179.87 2za4 n GLN 9 N -4.29 0.06 -2.74 1.06 6.02 -0.22 -4.80 117.38 112.48 2za4 n GLN 9 Ca -0.02 -0.03 -0.43 0.00 -0.01 0.00 0.00 57.00 56.51 2za4 n GLN 9 Cb 0.27 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.00 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 -2.95 4.49 -0.69 5.09 -1.09 -0.91 -4.90 121.20 120.24 2za4 s ILE 10 Ca 0.14 1.29 0.19 0.00 -2.23 0.00 0.00 60.65 60.03 2za4 s ILE 10 Cb 0.18 -4.41 -0.22 0.00 -1.58 0.00 0.00 42.46 36.43 2za4 s ILE 10 CO 0.62 -0.63 0.71 0.54 -1.23 0.00 0.00 174.94 174.95 2za4 n ARG 11 N 7.01 0.82 -3.79 2.79 5.12 -1.26 -5.03 116.66 122.31 2za4 n ARG 11 Ca 0.09 -0.04 -0.04 0.00 -1.93 0.00 0.00 57.85 55.93 2za4 n ARG 11 Cb 0.48 -1.39 -0.01 0.00 -1.16 0.00 0.00 32.46 30.38 2za4 n ARG 11 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2za4 s SER 12 N -3.06 -0.15 0.28 0.55 1.04 -1.26 -4.99 113.70 106.11 2za4 s SER 12 Ca 0.04 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 55.94 2za4 s SER 12 Cb 0.14 0.55 0.39 0.00 0.10 0.00 0.00 66.02 67.20 2za4 s SER 12 CO 0.77 -1.03 1.77 -0.29 0.98 0.00 0.00 173.24 175.43 2za4 h ILE 13 N 2.00 1.24 -0.56 -1.02 2.10 -1.97 -1.31 117.51 117.99 2za4 h ILE 13 Ca -0.24 -1.04 -0.05 0.00 1.08 0.00 0.00 64.86 64.61 2za4 h ILE 13 Cb 1.23 1.01 -0.02 0.00 -1.09 0.00 0.00 36.82 37.95 2za4 h ILE 13 CO 0.28 0.35 0.16 0.28 -1.08 0.00 0.00 178.15 178.14 2za4 h SER 14 N 0.62 0.83 -0.98 2.19 0.02 -1.95 -1.45 113.55 112.83 2za4 h SER 14 Ca 0.12 -0.22 0.01 0.00 -0.84 0.00 0.00 61.79 60.86 2za4 h SER 14 Cb 0.49 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 62.76 2za4 h SER 14 CO 0.03 0.83 0.65 -0.78 -1.14 0.00 0.00 176.83 176.42 2za4 h ASP 15 N 0.79 1.12 -0.22 3.07 -0.00 -1.83 -0.37 116.42 118.99 2za4 h ASP 15 Ca 0.18 -0.03 -0.02 0.00 -0.00 0.00 0.00 57.03 57.16 2za4 h ASP 15 Cb 0.31 -0.28 -0.01 0.00 -0.00 0.00 0.00 39.33 39.35 2za4 h ASP 15 CO -0.00 0.81 0.06 0.25 -0.00 0.00 0.00 179.24 180.35 2za4 h LEU 16 N 1.32 0.33 -0.95 2.28 5.85 -0.77 -1.12 115.31 122.25 2za4 h LEU 16 Ca 0.36 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 2za4 h LEU 16 Cb -0.13 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 2za4 h LEU 16 CO -0.08 0.46 0.09 0.45 -0.34 0.00 0.00 178.44 179.02 2za4 h HIS 17 N 0.18 0.90 -0.13 1.25 3.86 -0.91 -1.35 115.15 118.94 2za4 h HIS 17 Ca 0.07 -0.10 -0.10 0.00 -1.16 0.00 0.00 60.37 59.08 2za4 h HIS 17 Cb 0.26 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.46 2za4 h HIS 17 CO 0.01 0.77 -0.37 1.96 0.86 0.00 0.00 177.93 181.16 2za4 h GLN 18 N 0.82 0.28 -0.30 2.45 4.20 -0.92 -0.26 115.11 121.38 2za4 h GLN 18 Ca 0.17 -0.12 -0.18 0.00 0.06 0.00 0.00 58.65 58.58 2za4 h GLN 18 Cb 0.36 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 2za4 h GLN 18 CO 0.01 0.62 -0.52 1.15 -0.67 0.00 0.00 178.83 179.41 2za4 h THR 19 N 0.24 1.27 -0.56 -0.54 2.02 -0.76 -2.62 112.91 111.97 2za4 h THR 19 Ca 0.03 -1.70 -0.08 0.00 0.77 0.00 0.00 66.41 65.42 2za4 h THR 19 Cb 0.77 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.75 2za4 h THR 19 CO 0.06 0.56 0.01 -0.07 0.37 0.00 0.00 175.52 176.45 2za4 h LEU 20 N 0.68 0.92 -0.58 2.58 3.38 -0.98 0.19 115.31 121.49 2za4 h LEU 20 Ca 0.02 -0.24 0.05 0.00 0.09 0.00 0.00 57.88 57.80 2za4 h LEU 20 Cb 1.12 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.58 2za4 h LEU 20 CO 0.12 0.97 0.32 0.50 0.09 0.00 0.00 178.44 180.44 2za4 h LYS 21 N 0.88 0.59 0.14 1.13 3.64 -0.90 0.38 116.57 122.43 2za4 h LYS 21 Ca 0.16 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 2za4 h LYS 21 Cb 0.50 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2za4 h LYS 21 CO 0.02 0.39 -0.07 -0.22 -2.27 0.00 0.00 179.45 177.31 2za4 h LYS 22 N 0.61 -0.18 -0.63 1.90 3.64 -1.19 -0.57 116.57 120.15 2za4 h LYS 22 Ca 0.25 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.68 2za4 h LYS 22 Cb 0.13 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 2za4 h LYS 22 CO -0.16 0.28 0.42 0.93 -2.27 0.00 0.00 179.45 178.65 2za4 h GLU 23 N -0.78 0.72 -0.03 1.90 4.39 -0.86 -2.00 114.58 117.93 2za4 h GLU 23 Ca -0.02 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2za4 h GLU 23 Cb 0.54 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 2za4 h GLU 23 CO 0.03 0.48 0.00 1.28 -1.16 0.00 0.00 179.01 179.64 2za4 n LEU 24 N -4.46 2.68 -3.73 1.33 4.77 0.11 -4.65 117.00 113.05 2za4 n LEU 24 Ca 0.08 -0.90 -0.25 0.00 -0.03 0.00 0.00 56.01 54.91 2za4 n LEU 24 Cb 0.13 -0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.25 2za4 n LEU 24 CO 0.35 0.45 -0.10 0.00 -1.33 0.00 0.00 177.39 176.75 2za4 n ALA 25 N 1.10 -2.20 -1.64 -1.18 0.00 -0.68 -4.96 120.51 110.96 2za4 n ALA 25 Ca 0.15 -0.19 -0.30 0.00 0.00 0.00 0.00 53.44 53.10 2za4 n ALA 25 Cb 0.55 -2.68 0.09 0.00 0.00 0.00 0.00 19.45 17.41 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 -6.61 2.56 0.60 0.00 1.43 -0.31 -5.00 118.68 111.36 2za4 s LEU 26 Ca 0.16 1.18 -0.19 0.00 -1.03 0.00 0.00 54.13 54.26 2za4 s LEU 26 Cb -0.05 -3.78 -0.04 0.00 0.03 0.00 0.00 46.19 42.35 2za4 s LEU 26 CO 0.84 -1.93 1.01 -2.65 0.23 0.00 0.00 176.35 173.85 2za4 n PRO 27 N -3.39 0.96 0.05 1.29 -0.02 -1.26 -4.87 135.00 127.75 2za4 n PRO 27 Ca 0.07 0.37 0.14 0.00 -2.02 0.00 0.00 63.50 62.06 2za4 n PRO 27 Cb 0.57 -2.22 0.62 0.00 -0.02 0.00 0.00 33.50 32.46 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 0.54 0.11 -0.24 -0.52 4.11 -1.98 -1.13 114.58 115.47 2za4 h GLU 28 Ca -0.49 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.94 2za4 h GLU 28 Cb 1.36 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2za4 h GLU 28 CO 0.51 0.07 0.00 2.48 0.07 0.00 0.00 179.01 182.15 2za4 n TYR 29 N -4.45 0.32 -1.63 2.06 0.18 -1.26 -4.96 117.16 107.42 2za4 n TYR 29 Ca 0.06 -0.16 -0.63 0.00 1.88 0.00 0.00 57.90 59.05 2za4 n TYR 29 Cb 0.40 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.26 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 0.27 1.54 0.35 -3.48 9.36 -0.43 -4.81 117.16 119.96 2za4 n TYR 30 Ca 0.12 1.08 0.04 0.00 3.32 0.00 0.00 57.90 62.45 2za4 n TYR 30 Cb 0.25 -2.09 0.20 0.00 -0.63 0.00 0.00 39.34 37.07 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 3.51 -0.70 3.78 2.98 0.00 -1.26 -4.91 105.19 108.59 2za4 n GLY 31 Ca 0.28 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.41 -4.45 -3.85 1.61 1.02 -1.26 -4.96 120.64 107.35 2za4 n GLU 32 Ca 0.03 0.56 -0.09 0.00 -0.02 0.00 0.00 57.16 57.63 2za4 n GLU 32 Cb 0.09 -5.00 -0.05 0.00 -0.02 0.00 0.00 31.44 26.47 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 -4.35 -0.17 0.40 1.62 2.20 -1.26 -4.97 114.94 108.41 2za4 s ASN 33 Ca 0.01 -0.67 0.07 0.00 -0.94 0.00 0.00 52.86 51.34 2za4 s ASN 33 Cb -0.01 0.57 0.83 0.00 -2.00 0.00 0.00 41.25 40.64 2za4 s ASN 33 CO 0.83 -1.07 2.02 -0.07 -2.94 0.00 0.00 177.10 175.87 2za4 h LEU 34 N 2.25 0.53 -0.41 3.54 3.38 -1.98 -1.01 115.31 121.60 2za4 h LEU 34 Ca -0.28 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.51 2za4 h LEU 34 Cb 1.25 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 2za4 h LEU 34 CO 0.37 0.37 -0.64 0.44 0.09 0.00 0.00 178.44 179.07 2za4 h ASP 35 N 0.62 0.65 -0.21 -0.43 3.32 -1.98 -1.50 116.42 116.88 2za4 h ASP 35 Ca 0.21 -0.38 -0.12 0.00 0.02 0.00 0.00 57.03 56.76 2za4 h ASP 35 Cb 0.08 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2za4 h ASP 35 CO -0.05 1.12 -0.27 0.00 -1.72 0.00 0.00 179.24 178.32 2za4 h ALA 36 N 0.88 0.89 -0.37 3.45 0.00 -1.79 -1.53 119.26 120.79 2za4 h ALA 36 Ca -0.01 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 2za4 h ALA 36 Cb 1.21 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2za4 h ALA 36 CO 0.12 0.62 0.07 1.25 0.00 0.00 0.00 179.25 181.31 2za4 h LEU 37 N 0.60 0.59 -0.80 0.00 5.85 -1.06 -1.18 115.31 119.31 2za4 h LEU 37 Ca 0.08 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 2za4 h LEU 37 Cb 0.77 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 2za4 h LEU 37 CO 0.06 0.69 0.49 -0.25 -0.34 0.00 0.00 178.44 179.09 2za4 h TRP 38 N 0.46 1.05 -0.74 1.25 2.91 -1.09 -1.36 115.95 118.43 2za4 h TRP 38 Ca 0.11 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.14 2za4 h TRP 38 Cb 0.35 -0.35 -0.04 0.00 -0.51 0.00 0.00 29.16 28.61 2za4 h TRP 38 CO 0.02 0.70 0.47 0.00 -1.03 0.00 0.00 178.44 178.61 2za4 h ALA 39 N 1.26 1.44 -0.34 2.65 0.00 -0.97 -0.99 119.26 122.31 2za4 h ALA 39 Ca 0.29 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 2za4 h ALA 39 Cb -0.05 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2za4 h ALA 39 CO -0.05 0.51 -0.29 0.00 0.00 0.00 0.00 179.25 179.41 2za4 h ALA 40 N 1.51 0.85 0.00 0.00 0.00 -0.40 0.33 119.26 121.55 2za4 h ALA 40 Ca 0.27 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2za4 h ALA 40 Cb -0.09 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2za4 h ALA 40 CO -0.06 0.64 0.00 1.28 0.00 0.00 0.00 179.25 181.11 2za4 n LEU 41 N -4.08 0.58 0.00 0.00 4.77 -0.59 -0.93 117.00 116.74 2za4 n LEU 41 Ca -0.01 0.56 0.00 0.00 -0.03 0.00 0.00 56.01 56.54 2za4 n LEU 41 Cb 0.47 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 2za4 n LEU 41 CO 0.45 -0.17 0.33 0.35 -1.33 0.00 0.00 177.39 177.03 2za4 n THR 42 N -2.05 0.35 -2.07 -5.08 -2.24 -0.44 -4.78 114.28 97.98 2za4 n THR 42 Ca 0.06 -0.66 -0.02 0.00 -2.27 0.00 0.00 64.05 61.16 2za4 n THR 42 Cb 0.39 0.85 -0.02 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.18 0.76 2.13 3.38 0.00 0.11 -5.02 105.19 106.37 2za4 n GLY 43 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.07 -3.58 -1.88 1.61 -0.00 -0.93 -4.89 117.44 107.84 2za4 n TRP 44 Ca -0.09 0.92 -0.41 0.00 -0.00 0.00 0.00 57.50 57.92 2za4 n TRP 44 Cb 0.69 2.42 -0.01 0.00 -0.00 0.00 0.00 31.31 34.41 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 2.24 -0.27 5.87 1.01 -0.11 -4.99 120.40 122.14 2za4 s VAL 45 Ca 0.00 0.23 -0.08 0.00 0.00 0.00 0.00 61.98 62.13 2za4 s VAL 45 Cb 0.00 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 2za4 s VAL 45 CO 0.00 0.05 0.11 -1.61 0.00 0.00 0.00 175.10 173.65 2za4 s GLU 46 N -1.74 3.54 0.54 2.72 2.02 -1.26 -4.93 118.70 119.59 2za4 s GLU 46 Ca 0.53 -0.57 -0.06 0.00 0.02 0.00 0.00 54.97 54.89 2za4 s GLU 46 Cb -0.45 -3.43 -0.02 0.00 0.10 0.00 0.00 34.13 30.33 2za4 s GLU 46 CO 0.58 -0.28 0.87 0.71 0.02 0.00 0.00 175.26 177.16 2za4 s TYR 47 N 1.62 3.46 0.70 1.61 2.02 -1.26 -4.59 117.35 120.90 2za4 s TYR 47 Ca 0.06 0.82 -0.13 0.00 -0.37 0.00 0.00 57.07 57.45 2za4 s TYR 47 Cb -0.16 -2.53 0.02 0.00 -0.40 0.00 0.00 41.96 38.89 2za4 s TYR 47 CO 0.05 -0.55 1.10 -1.25 -1.57 0.00 0.00 175.55 173.33 2za4 s PRO 48 N -4.91 2.66 0.00 -1.71 0.04 -1.26 -5.06 135.00 124.77 2za4 s PRO 48 Ca 0.51 1.27 0.04 0.00 0.04 0.00 0.00 61.00 62.86 2za4 s PRO 48 Cb -0.10 -1.94 -0.01 0.00 0.04 0.00 0.00 34.50 32.48 2za4 s PRO 48 CO 0.46 -1.35 -0.12 -1.17 0.04 0.00 0.00 177.00 174.86 2za4 s LEU 49 N -5.25 2.06 -0.19 -3.56 2.96 -0.22 -3.86 118.68 110.63 2za4 s LEU 49 Ca 0.64 -0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 54.26 2za4 s LEU 49 Cb -0.19 -0.61 0.00 0.00 0.50 0.00 0.00 46.19 45.90 2za4 s LEU 49 CO 0.47 0.11 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.80 2za4 s VAL 50 N -0.44 2.71 -0.28 1.68 1.01 -0.44 -0.92 120.40 123.73 2za4 s VAL 50 Ca 0.04 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 2za4 s VAL 50 Cb -0.05 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 34.17 2za4 s VAL 50 CO -0.00 0.49 0.01 -0.22 0.00 0.00 0.00 175.10 175.38 2za4 s LEU 51 N 1.24 3.57 -0.29 3.92 2.96 0.53 -0.87 118.68 129.74 2za4 s LEU 51 Ca 0.03 -0.86 -0.09 0.00 -0.22 0.00 0.00 54.13 52.99 2za4 s LEU 51 Cb -0.14 -1.76 -0.01 0.00 0.50 0.00 0.00 46.19 44.77 2za4 s LEU 51 CO -0.06 -0.18 0.13 -0.70 -1.32 0.00 0.00 176.35 174.22 2za4 s GLU 52 N 1.39 3.41 -0.38 1.98 2.12 0.07 -0.39 118.70 126.90 2za4 s GLU 52 Ca 0.00 -0.66 -0.04 0.00 0.36 0.00 0.00 54.97 54.64 2za4 s GLU 52 Cb -0.17 -3.50 0.09 0.00 0.26 0.00 0.00 34.13 30.81 2za4 s GLU 52 CO -0.01 -0.36 0.15 -0.46 -0.54 0.00 0.00 175.26 174.04 2za4 s TRP 53 N 1.61 3.45 0.16 5.30 -0.11 0.27 -0.68 118.94 128.95 2za4 s TRP 53 Ca 0.05 -2.11 -0.13 0.00 1.22 0.00 0.00 56.10 55.14 2za4 s TRP 53 Cb -0.17 -2.84 -0.07 0.00 -1.50 0.00 0.00 33.47 28.90 2za4 s TRP 53 CO 0.05 -0.90 0.53 1.03 -4.62 0.00 0.00 176.95 173.05 2za4 s ARG 54 N 1.22 3.91 -1.49 5.86 0.52 0.05 -2.77 118.95 126.26 2za4 s ARG 54 Ca 0.03 0.40 -0.11 0.00 -0.52 0.00 0.00 55.73 55.54 2za4 s ARG 54 Cb -0.22 -2.87 0.07 0.00 0.52 0.00 0.00 34.95 32.45 2za4 s ARG 54 CO -0.02 0.45 0.94 1.04 0.02 0.00 0.00 175.30 177.73 2za4 n GLN 55 N 0.58 -5.52 -1.59 3.54 1.13 -0.93 -0.35 117.38 114.24 2za4 n GLN 55 Ca -0.04 0.61 -0.46 0.00 -1.94 0.00 0.00 57.00 55.17 2za4 n GLN 55 Cb 0.52 -5.44 -0.04 0.00 0.11 0.00 0.00 30.24 25.38 2za4 n GLN 55 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2za4 n PHE 56 N -4.63 2.05 -4.27 1.08 7.35 -1.26 -4.44 117.46 113.33 2za4 n PHE 56 Ca -0.02 -0.03 -0.15 0.00 -0.76 0.00 0.00 57.45 56.49 2za4 n PHE 56 Cb 0.56 -2.68 -0.10 0.00 0.35 0.00 0.00 39.48 37.61 2za4 n PHE 56 CO 0.00 0.00 0.00 -1.14 -0.76 0.00 0.00 176.76 174.86 2za4 s GLN 61 N 5.47 1.21 -0.12 -4.13 -0.44 -1.26 -5.03 119.66 115.37 2za4 s GLN 61 Ca 0.99 -1.60 -0.13 0.00 -2.50 0.00 0.00 55.36 52.12 2za4 s GLN 61 Cb -0.57 -0.35 -0.04 0.00 -1.64 0.00 0.00 33.01 30.41 2za4 s GLN 61 CO 0.44 -0.14 -0.25 1.28 0.50 0.00 0.00 175.29 177.12 2za4 n LEU 62 N -0.32 1.49 -2.55 3.68 4.32 -1.26 -5.03 117.00 117.33 2za4 n LEU 62 Ca -0.05 0.25 -0.07 0.00 -0.02 0.00 0.00 56.01 56.12 2za4 n LEU 62 Cb 0.64 -0.64 -0.04 0.00 -1.62 0.00 0.00 43.42 41.75 2za4 n LEU 62 CO 0.35 -0.37 1.14 0.59 -1.22 0.00 0.00 177.39 177.89 2za4 n ASN 65 N -3.99 2.10 -0.14 -1.43 4.13 -1.26 -4.87 115.26 109.79 2za4 n ASN 65 Ca -0.10 -1.93 -0.07 0.00 1.68 0.00 0.00 54.58 54.16 2za4 n ASN 65 Cb 0.37 -0.58 0.02 0.00 -1.54 0.00 0.00 39.78 38.04 2za4 n ASN 65 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 2za4 h GLY 66 N 6.62 0.62 0.93 7.41 0.00 -2.00 -1.56 103.07 115.09 2za4 h GLY 66 Ca 0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 2za4 h GLY 66 CO 0.66 0.17 0.14 0.00 0.00 0.00 0.00 176.54 177.51 2za4 h ALA 67 N 1.19 0.45 -0.43 3.60 0.00 -1.98 -2.70 119.26 119.39 2za4 h ALA 67 Ca 0.18 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2za4 h ALA 67 Cb 0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2za4 h ALA 67 CO -0.08 0.04 0.09 1.49 0.00 0.00 0.00 179.25 180.79 2za4 h GLU 68 N 0.41 0.64 -0.63 0.00 4.57 -1.95 -1.71 114.58 115.90 2za4 h GLU 68 Ca 0.12 -0.12 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 2za4 h GLU 68 Cb 0.18 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 2za4 h GLU 68 CO -0.01 0.60 0.28 0.66 -1.18 0.00 0.00 179.01 179.36 2za4 h SER 69 N 0.62 0.82 -0.16 1.04 4.64 -1.02 0.13 113.55 119.63 2za4 h SER 69 Ca 0.14 -0.10 -0.11 0.00 -0.47 0.00 0.00 61.79 61.26 2za4 h SER 69 Cb 0.26 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2za4 h SER 69 CO -0.00 0.72 -0.31 0.58 -0.87 0.00 0.00 176.83 176.94 2za4 h VAL 70 N 0.90 1.35 -0.88 0.95 2.07 -1.12 -3.03 116.25 116.50 2za4 h VAL 70 Ca 0.22 -1.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.17 2za4 h VAL 70 Cb 0.13 1.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 2za4 h VAL 70 CO -0.02 0.47 0.53 0.25 0.02 0.00 0.00 177.57 178.81 2za4 h LEU 71 N 0.13 1.05 -1.45 2.57 5.85 -1.04 -2.23 115.31 120.20 2za4 h LEU 71 Ca 0.01 -0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.70 2za4 h LEU 71 Cb 0.91 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.64 2za4 h LEU 71 CO 0.07 0.81 0.41 1.56 -0.34 0.00 0.00 178.44 180.95 2za4 h GLN 72 N 1.21 0.70 -0.56 1.25 4.20 -0.92 -1.44 115.11 119.55 2za4 h GLN 72 Ca 0.31 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.95 2za4 h GLN 72 Cb -0.05 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 2za4 h GLN 72 CO -0.06 0.46 0.23 0.28 -0.67 0.00 0.00 178.83 179.08 2za4 h VAL 73 N 0.72 1.22 -0.54 -0.54 2.07 -1.28 0.57 116.25 118.46 2za4 h VAL 73 Ca 0.25 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 2za4 h VAL 73 Cb 0.10 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 2za4 h VAL 73 CO -0.07 0.26 0.21 -0.26 0.02 0.00 0.00 177.57 177.73 2za4 h PHE 74 N 0.77 0.84 -0.10 1.57 0.04 -1.30 -1.66 116.94 117.10 2za4 h PHE 74 Ca 0.19 -0.07 -0.06 0.00 2.80 0.00 0.00 57.97 60.83 2za4 h PHE 74 Cb 0.18 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 2za4 h PHE 74 CO 0.01 0.69 -0.23 0.00 -0.60 0.00 0.00 178.31 178.17 2za4 h ARG 75 N 0.74 0.16 -0.22 1.51 3.08 -0.94 -0.85 114.38 117.86 2za4 h ARG 75 Ca 0.18 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 60.05 2za4 h ARG 75 Cb 0.21 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 2za4 h ARG 75 CO -0.01 0.40 -0.38 1.49 -1.07 0.00 0.00 179.97 180.39 2za4 h GLU 76 N 0.15 0.65 -0.65 0.04 4.81 -0.52 -0.28 114.58 118.79 2za4 h GLU 76 Ca 0.03 -0.40 -0.05 0.00 -0.13 0.00 0.00 59.36 58.81 2za4 h GLU 76 Cb 0.50 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 2za4 h GLU 76 CO 0.03 1.02 0.22 0.00 -0.73 0.00 0.00 179.01 179.56 2za4 h ALA 77 N 0.62 1.17 -0.54 2.92 0.00 -1.03 -1.88 119.26 120.52 2za4 h ALA 77 Ca 0.01 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2za4 h ALA 77 Cb 0.98 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2za4 h ALA 77 CO 0.09 0.59 0.17 -0.22 0.00 0.00 0.00 179.25 179.87 2za4 h LYS 78 N 0.95 0.83 0.00 0.00 3.64 -1.01 -1.66 116.57 119.32 2za4 h LYS 78 Ca 0.22 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 2za4 h LYS 78 Cb 0.24 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2za4 h LYS 78 CO -0.01 0.76 -0.18 0.00 -2.27 0.00 0.00 179.45 177.75 2za4 h ALA 79 N 1.03 1.59 -0.13 5.00 0.00 -0.46 -1.67 119.26 124.62 2za4 h ALA 79 Ca 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2za4 h ALA 79 Cb 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2za4 h ALA 79 CO -0.01 0.23 0.00 0.39 0.00 0.00 0.00 179.25 179.86 2za4 n GLU 80 N -4.16 1.54 0.00 0.00 1.02 -0.76 -4.91 120.64 113.37 2za4 n GLU 80 Ca -0.02 -0.82 0.00 0.00 -0.02 0.00 0.00 57.16 56.30 2za4 n GLU 80 Cb 0.25 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 2za4 n GLU 80 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2za4 n GLY 81 N 1.03 1.47 3.73 0.62 0.00 -0.63 -5.08 105.19 106.33 2za4 n GLY 81 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.02 3.74 -1.20 4.61 0.00 -0.66 -4.87 121.76 121.36 2za4 s ALA 82 Ca 0.00 1.38 -0.20 0.00 0.00 0.00 0.00 51.96 53.14 2za4 s ALA 82 Cb 0.00 -3.61 0.04 0.00 0.00 0.00 0.00 23.12 19.56 2za4 s ALA 82 CO 0.00 -0.79 1.69 0.34 0.00 0.00 0.00 175.76 177.00 2za4 s ASP 83 N 0.90 6.51 -0.09 0.00 3.68 -1.26 -4.37 116.67 122.04 2za4 s ASP 83 Ca 0.67 -2.04 0.03 0.00 2.13 0.00 0.00 52.55 53.34 2za4 s ASP 83 Cb -0.44 -2.58 -0.01 0.00 -1.45 0.00 0.00 42.92 38.44 2za4 s ASP 83 CO 0.35 -1.51 -0.20 -0.63 0.13 0.00 0.00 175.17 173.32 2za4 s ILE 84 N 5.31 2.48 -0.18 4.11 1.01 -1.26 -1.05 121.20 131.62 2za4 s ILE 84 Ca 0.54 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 2za4 s ILE 84 Cb 0.02 -1.97 -0.00 0.00 0.01 0.00 0.00 42.46 40.52 2za4 s ILE 84 CO 0.03 0.56 -0.11 -0.89 0.00 0.00 0.00 174.94 174.53 2za4 s THR 85 N 0.08 2.90 -0.21 2.92 2.01 -0.09 -4.99 115.64 118.26 2za4 s THR 85 Ca -0.09 -0.67 -0.07 0.00 0.31 0.00 0.00 61.69 61.18 2za4 s THR 85 Cb -0.15 -2.27 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 2za4 s THR 85 CO 0.06 0.48 0.05 -0.63 -0.69 0.00 0.00 174.62 173.89 2za4 s ILE 86 N 1.11 4.39 -0.26 1.82 1.01 -1.26 -0.35 121.20 127.66 2za4 s ILE 86 Ca 0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 60.65 60.47 2za4 s ILE 86 Cb -0.14 -3.01 0.02 0.00 0.01 0.00 0.00 42.46 39.34 2za4 s ILE 86 CO -0.03 0.40 -0.03 -0.63 0.00 0.00 0.00 174.94 174.65 2za4 s ILE 87 N 1.04 3.12 -0.55 2.92 -1.09 0.47 -4.98 121.20 122.13 2za4 s ILE 87 Ca 0.03 -0.97 -0.16 0.00 -2.23 0.00 0.00 60.65 57.32 2za4 s ILE 87 Cb -0.14 -2.60 0.12 0.00 -1.58 0.00 0.00 42.46 38.26 2za4 s ILE 87 CO 0.03 0.16 0.53 -0.76 -1.23 0.00 0.00 174.94 173.66 2za4 s LEU 88 N 1.36 6.02 0.00 2.97 1.43 -1.26 -0.56 118.68 128.64 2za4 s LEU 88 Ca 0.00 -1.71 0.09 0.00 -1.03 0.00 0.00 54.13 51.49 2za4 s LEU 88 Cb -0.17 -2.23 0.07 0.00 0.03 0.00 0.00 46.19 43.90 2za4 s LEU 88 CO -0.03 -0.89 0.79 -1.54 0.23 0.00 0.00 176.35 174.91