#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dja n SER 2 N 0.00 1.92 -3.71 1.61 7.64 -1.26 -5.07 113.62 114.76 2dja n SER 2 Ca 0.00 0.38 -0.10 0.00 1.01 0.00 0.00 58.87 60.16 2dja n SER 2 Cb 0.00 -0.84 -0.05 0.00 -1.01 0.00 0.00 64.21 62.31 2dja n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dja s SER 3 N -6.92 -0.18 -0.06 6.43 0.01 -1.26 -5.18 113.70 106.54 2dja s SER 3 Ca -0.33 -0.45 -0.29 0.00 1.31 0.00 0.00 55.95 56.19 2dja s SER 3 Cb 0.10 0.49 0.10 0.00 0.21 0.00 0.00 66.02 66.92 2dja s SER 3 CO 0.48 -0.90 0.87 -0.83 0.41 0.00 0.00 173.24 173.27 2dja s GLY 4 N -2.84 -0.43 -0.29 3.44 0.00 -1.26 -5.18 107.32 100.77 2dja s GLY 4 Ca 0.06 1.39 -0.24 0.00 0.00 0.00 0.00 44.72 45.93 2dja s GLY 4 CO -0.08 0.68 1.17 -0.45 0.00 0.00 0.00 173.10 174.42 2dja s SER 5 N -1.79 -0.31 -0.14 1.64 0.15 -1.26 -5.16 113.70 106.83 2dja s SER 5 Ca -0.00 0.59 -0.06 0.00 0.70 0.00 0.00 55.95 57.18 2dja s SER 5 Cb -0.01 0.63 -0.04 0.00 -1.71 0.00 0.00 66.02 64.90 2dja s SER 5 CO -0.02 -0.10 0.06 -0.44 1.20 0.00 0.00 173.24 173.93 2dja s SER 6 N 0.22 5.65 0.11 5.45 0.01 -1.26 -5.09 113.70 118.80 2dja s SER 6 Ca 0.04 0.16 -0.28 0.00 1.31 0.00 0.00 55.95 57.18 2dja s SER 6 Cb -0.05 -1.85 -0.06 0.00 0.21 0.00 0.00 66.02 64.27 2dja s SER 6 CO -0.10 0.27 0.89 -0.83 0.41 0.00 0.00 173.24 173.88 2dja s GLY 7 N -0.22 2.95 -0.28 3.44 0.00 -1.26 -5.04 107.32 106.92 2dja s GLY 7 Ca 0.08 0.48 -0.07 0.00 0.00 0.00 0.00 44.72 45.20 2dja s GLY 7 CO 0.01 1.26 0.09 -1.34 0.00 0.00 0.00 173.10 173.12 2dja s VAL 8 N -0.28 4.21 -0.23 1.40 -7.23 -1.26 -5.08 120.40 111.93 2dja s VAL 8 Ca 0.43 -0.42 -0.17 0.00 -1.81 0.00 0.00 61.98 60.00 2dja s VAL 8 Cb -0.23 -3.08 -0.03 0.00 0.56 0.00 0.00 36.38 33.60 2dja s VAL 8 CO 0.28 0.19 0.45 -1.61 -0.31 0.00 0.00 175.10 174.10 2dja s GLU 9 N 1.57 4.12 0.58 4.82 2.02 -1.26 -5.07 118.70 125.47 2dja s GLU 9 Ca 0.05 0.26 -0.10 0.00 0.02 0.00 0.00 54.97 55.19 2dja s GLU 9 Cb -0.16 -3.60 0.14 0.00 0.10 0.00 0.00 34.13 30.61 2dja s GLU 9 CO 0.03 -0.20 0.51 -0.35 0.02 0.00 0.00 175.26 175.28 2dja n PRO 10 N 5.01 -2.03 -1.49 0.39 -0.04 -1.26 -4.90 135.00 130.69 2dja n PRO 10 Ca -0.06 -0.82 -0.51 0.00 -0.04 0.00 0.00 63.50 62.07 2dja n PRO 10 Cb 0.50 -0.77 -0.05 0.00 -0.04 0.00 0.00 33.50 33.15 2dja n PRO 10 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2dja n VAL 11 N -3.62 1.16 -1.23 0.52 0.31 -1.26 -4.91 118.33 109.30 2dja n VAL 11 Ca 0.07 -0.29 -0.30 0.00 -0.01 0.00 0.00 64.34 63.81 2dja n VAL 11 Cb 0.28 -0.28 0.11 0.00 -0.91 0.00 0.00 33.84 33.04 2dja n VAL 11 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2dja s PRO 12 N -0.60 1.80 0.25 5.55 0.04 -1.26 -5.08 135.00 135.70 2dja s PRO 12 Ca 0.74 1.01 0.02 0.00 0.04 0.00 0.00 61.00 62.81 2dja s PRO 12 Cb -0.99 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 31.64 2dja s PRO 12 CO 0.56 -1.92 0.04 0.16 0.04 0.00 0.00 177.00 175.88 2dja s ASP 13 N -3.41 1.60 -0.26 6.66 1.47 -1.26 -5.14 116.67 116.33 2dja s ASP 13 Ca 0.62 -1.30 -0.09 0.00 1.18 0.00 0.00 52.55 52.96 2dja s ASP 13 Cb -0.17 0.07 -0.04 0.00 -0.34 0.00 0.00 42.92 42.43 2dja s ASP 13 CO 0.56 -0.61 0.14 0.28 0.68 0.00 0.00 175.17 176.21 2dja s THR 14 N -3.55 4.90 -0.10 2.11 -1.32 -1.26 -5.01 115.64 111.42 2dja s THR 14 Ca 0.33 0.03 -0.08 0.00 -1.21 0.00 0.00 61.69 60.75 2dja s THR 14 Cb 0.07 -3.31 0.03 0.00 -1.51 0.00 0.00 72.50 67.77 2dja s THR 14 CO 0.11 0.30 0.25 -1.00 -2.21 0.00 0.00 174.62 172.07 2dja s HIS 15 N 1.59 -0.28 0.12 9.09 3.76 -1.26 -5.15 115.29 123.15 2dja s HIS 15 Ca 0.07 0.69 -0.24 0.00 -0.15 0.00 0.00 55.06 55.42 2dja s HIS 15 Cb -0.15 0.09 -0.07 0.00 1.11 0.00 0.00 32.58 33.56 2dja s HIS 15 CO 0.07 -0.14 0.75 -0.51 -0.85 0.00 0.00 174.74 174.06 2dja s LEU 16 N 0.25 4.54 0.08 0.89 1.43 -1.26 -4.97 118.68 119.65 2dja s LEU 16 Ca -0.01 1.54 0.21 0.00 -1.03 0.00 0.00 54.13 54.83 2dja s LEU 16 Cb -0.03 -3.23 -0.14 0.00 0.03 0.00 0.00 46.19 42.83 2dja s LEU 16 CO -0.01 0.15 0.78 -2.11 0.23 0.00 0.00 176.35 175.40 2dja n ARG 17 N 2.00 0.63 0.29 1.70 1.85 -1.26 -4.38 116.66 117.49 2dja n ARG 17 Ca -0.05 0.06 -0.16 0.00 -1.00 0.00 0.00 57.85 56.70 2dja n ARG 17 Cb 0.49 -1.73 -0.08 0.00 -1.05 0.00 0.00 32.46 30.09 2dja n ARG 17 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 2dja h GLY 18 N 3.93 -0.74 -0.80 2.89 0.00 -1.93 -3.00 103.07 103.42 2dja h GLY 18 Ca -0.08 0.27 0.24 0.00 0.00 0.00 0.00 47.33 47.77 2dja h GLY 18 CO 0.01 -0.27 0.09 0.29 0.00 0.00 0.00 176.54 176.66 2dja n ILE 19 N -5.36 -0.34 -2.71 2.60 -5.35 -1.26 -4.40 119.36 102.54 2dja n ILE 19 Ca -0.12 1.74 -0.16 0.00 -0.27 0.00 0.00 62.75 63.94 2dja n ILE 19 Cb 0.31 -2.59 0.07 0.00 -1.74 0.00 0.00 39.64 35.70 2dja n ILE 19 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 2dja n THR 20 N -5.08 0.00 -2.03 7.28 -2.24 -1.13 -4.65 114.28 106.42 2dja n THR 20 Ca 0.21 -1.27 -0.33 0.00 -2.27 0.00 0.00 64.05 60.39 2dja n THR 20 Cb 0.69 -0.88 0.02 0.00 -2.10 0.00 0.00 70.33 68.06 2dja n THR 20 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dja h LEU 22 N 0.51 -0.10 -0.40 0.00 3.38 -1.87 -3.03 115.31 113.80 2dja h LEU 22 Ca -0.47 0.01 0.04 0.00 0.09 0.00 0.00 57.88 57.54 2dja h LEU 22 Cb 1.23 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.97 2dja h LEU 22 CO 0.57 -0.06 0.19 0.44 0.09 0.00 0.00 178.44 179.66 2dja h ASP 23 N -0.10 0.26 -3.41 -0.43 5.19 -1.97 -3.36 116.42 112.61 2dja h ASP 23 Ca -0.01 0.03 -0.72 0.00 -0.62 0.00 0.00 57.03 55.71 2dja h ASP 23 Cb 0.08 -0.02 -0.29 0.00 0.18 0.00 0.00 39.33 39.27 2dja h ASP 23 CO 0.01 0.19 -0.46 -1.00 -3.12 0.00 0.00 179.24 174.87 2dja s HIS 24 N -6.15 3.39 -0.10 4.55 3.76 -1.22 -4.95 115.29 114.58 2dja s HIS 24 Ca -0.13 -1.75 0.00 0.00 -0.15 0.00 0.00 55.06 53.03 2dja s HIS 24 Cb 0.12 -3.16 0.09 0.00 1.11 0.00 0.00 32.58 30.75 2dja s HIS 24 CO 0.72 -0.91 1.63 -0.85 -0.85 0.00 0.00 174.74 174.48 2dja n GLU 25 N 4.87 1.25 0.00 1.40 0.28 -1.15 -1.59 120.64 125.71 2dja n GLU 25 Ca -0.09 -0.54 0.00 0.00 -0.16 0.00 0.00 57.16 56.38 2dja n GLU 25 Cb 0.42 -1.21 0.00 0.00 1.43 0.00 0.00 31.44 32.08 2dja n GLU 25 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2dja n ASN 26 N 0.71 0.96 -4.81 -1.84 4.13 -1.26 -4.88 115.26 108.28 2dja n ASN 26 Ca 0.10 0.00 -0.38 0.00 1.68 0.00 0.00 54.58 55.98 2dja n ASN 26 Cb 0.60 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.78 2dja n ASN 26 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2dja s GLU 27 N -1.53 4.09 0.16 3.52 0.41 -1.23 -4.92 118.70 119.20 2dja s GLU 27 Ca 0.00 0.54 -0.29 0.00 -0.41 0.00 0.00 54.97 54.81 2dja s GLU 27 Cb 0.00 -3.26 -0.07 0.00 -1.78 0.00 0.00 34.13 29.01 2dja s GLU 27 CO 0.00 0.58 0.91 0.15 -0.49 0.00 0.00 175.26 176.41 2dja s LYS 28 N -0.80 4.73 -0.16 1.61 -0.14 -1.26 -1.54 119.74 122.18 2dja s LYS 28 Ca 0.26 1.39 -0.29 0.00 -1.36 0.00 0.00 55.97 55.97 2dja s LYS 28 Cb -0.17 -3.32 -0.05 0.00 -1.68 0.00 0.00 37.83 32.61 2dja s LYS 28 CO 0.15 0.39 1.86 0.14 -0.76 0.00 0.00 175.35 177.13 2dja s VAL 29 N -0.62 3.35 -0.21 3.17 -7.23 -1.26 -4.69 120.40 112.90 2dja s VAL 29 Ca 0.42 0.39 0.13 0.00 -1.81 0.00 0.00 61.98 61.11 2dja s VAL 29 Cb -0.24 -3.36 0.43 0.00 0.56 0.00 0.00 36.38 33.77 2dja s VAL 29 CO 0.30 -0.15 1.30 -0.46 -0.31 0.00 0.00 175.10 175.78 2dja n ASN 30 N 9.09 2.32 -3.82 4.85 6.94 -1.12 -4.92 115.26 128.60 2dja n ASN 30 Ca 0.22 -3.59 -0.09 0.00 -0.02 0.00 0.00 54.58 51.09 2dja n ASN 30 Cb 0.44 -0.54 -0.06 0.00 -2.36 0.00 0.00 39.78 37.26 2dja n ASN 30 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 2dja s MET 31 N -3.12 1.03 -0.38 -3.83 -1.94 -0.73 -3.65 119.30 106.67 2dja s MET 31 Ca 0.39 -0.95 0.02 0.00 -1.71 0.00 0.00 55.69 53.44 2dja s MET 31 Cb 0.36 0.40 0.11 0.00 2.01 0.00 0.00 34.83 37.71 2dja s MET 31 CO -0.01 -0.37 0.15 -0.47 -0.01 0.00 0.00 175.02 174.30 2dja s TYR 32 N -3.88 2.49 -0.78 -0.03 5.04 -1.24 -2.12 117.35 116.83 2dja s TYR 32 Ca 0.08 -2.45 -0.25 0.00 -2.44 0.00 0.00 57.07 52.01 2dja s TYR 32 Cb 0.03 -2.21 -0.15 0.00 0.35 0.00 0.00 41.96 39.98 2dja s TYR 32 CO -0.08 -0.85 2.41 0.00 -1.34 0.00 0.00 175.55 175.69 2dja h VAL 34 N 7.67 0.86 -0.72 0.00 2.07 -0.20 0.86 116.25 126.79 2dja h VAL 34 Ca -0.01 -0.27 0.11 0.00 0.82 0.00 0.00 66.70 67.35 2dja h VAL 34 Cb 1.02 -0.01 -0.13 0.00 -1.52 0.00 0.00 31.29 30.66 2dja h VAL 34 CO 1.04 0.15 -0.39 0.28 0.02 0.00 0.00 177.57 178.67 2dja h SER 35 N 0.80 -1.37 -0.31 0.57 0.02 -1.85 -1.01 113.55 110.40 2dja h SER 35 Ca 0.44 0.26 -0.11 0.00 -0.84 0.00 0.00 61.79 61.54 2dja h SER 35 Cb 0.48 0.67 -0.07 0.00 0.14 0.00 0.00 62.40 63.63 2dja h SER 35 CO -0.28 -0.31 -0.03 0.47 -1.14 0.00 0.00 176.83 175.54 2dja n ASP 36 N -5.43 3.01 -3.86 3.07 8.00 -0.91 -4.96 116.55 115.46 2dja n ASP 36 Ca 0.05 -3.46 -0.27 0.00 0.71 0.00 0.00 54.79 51.82 2dja n ASP 36 Cb 0.36 -0.60 -0.07 0.00 -0.02 0.00 0.00 41.12 40.80 2dja n ASP 36 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2dja n ASP 37 N -0.92 -0.16 -4.43 -2.24 5.68 0.28 -4.89 116.55 109.88 2dja n ASP 37 Ca 0.28 -0.97 -0.22 0.00 -0.50 0.00 0.00 54.79 53.38 2dja n ASP 37 Cb 0.97 -1.22 -0.10 0.00 -1.14 0.00 0.00 41.12 39.64 2dja n ASP 37 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 2dja s GLN 38 N -6.11 1.57 -0.21 0.11 2.00 -0.25 -4.92 119.66 111.85 2dja s GLN 38 Ca 0.27 -1.72 -0.17 0.00 -2.00 0.00 0.00 55.36 51.74 2dja s GLN 38 Cb -0.16 -1.55 -0.04 0.00 0.80 0.00 0.00 33.01 32.07 2dja s GLN 38 CO 0.77 0.27 0.44 -0.51 -0.50 0.00 0.00 175.29 175.77 2dja s LEU 39 N -3.45 4.14 0.23 3.68 1.43 -1.26 0.21 118.68 123.66 2dja s LEU 39 Ca 0.28 0.56 0.06 0.00 -1.03 0.00 0.00 54.13 53.99 2dja s LEU 39 Cb -0.03 -2.58 -0.05 0.00 0.03 0.00 0.00 46.19 43.56 2dja s LEU 39 CO 0.12 -0.12 -0.08 0.27 0.23 0.00 0.00 176.35 176.77 2dja s ILE 40 N 1.50 1.54 0.29 -0.59 -4.36 -0.90 -4.81 121.20 113.86 2dja s ILE 40 Ca 0.21 -2.14 0.04 0.00 -0.26 0.00 0.00 60.65 58.50 2dja s ILE 40 Cb -0.15 -2.23 0.04 0.00 1.25 0.00 0.00 42.46 41.37 2dja s ILE 40 CO 0.09 -0.45 0.35 0.00 0.24 0.00 0.00 174.94 175.16 2dja h ALA 42 N 0.43 -0.31 -0.67 0.00 0.00 -1.94 -2.83 119.26 113.94 2dja h ALA 42 Ca -0.15 -0.15 0.18 0.00 0.00 0.00 0.00 54.91 54.79 2dja h ALA 42 Cb 0.64 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2dja h ALA 42 CO 0.22 -0.55 0.47 -0.07 0.00 0.00 0.00 179.25 179.32 2dja h LEU 43 N -0.55 0.09 -0.15 0.00 3.38 -1.97 0.45 115.31 116.56 2dja h LEU 43 Ca -0.03 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2dja h LEU 43 Cb 0.41 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2dja h LEU 43 CO 0.05 0.04 0.07 0.00 0.09 0.00 0.00 178.44 178.69 2dja h LYS 45 N 0.10 0.00 0.00 0.00 1.63 -1.06 -1.71 116.57 115.53 2dja h LYS 45 Ca 0.05 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 2dja h LYS 45 Cb 0.15 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 2dja h LYS 45 CO -0.01 0.60 0.00 1.28 -3.45 0.00 0.00 179.45 177.88 2dja n LEU 46 N -3.23 0.74 -1.99 5.20 4.32 0.15 -4.39 117.00 117.78 2dja n LEU 46 Ca 0.01 0.50 -0.08 0.00 -0.02 0.00 0.00 56.01 56.42 2dja n LEU 46 Cb 0.79 -0.28 0.06 0.00 -1.62 0.00 0.00 43.42 42.37 2dja n LEU 46 CO 0.42 -0.28 0.13 1.33 -1.22 0.00 0.00 177.39 177.78 2dja n VAL 47 N -1.33 1.76 0.00 4.08 0.24 -0.27 -4.94 118.33 117.87 2dja n VAL 47 Ca 0.00 -3.25 0.00 0.00 -2.04 0.00 0.00 64.34 59.05 2dja n VAL 47 Cb 0.00 0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.42 2dja n VAL 47 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dja n GLY 48 N -0.59 1.63 0.07 7.63 0.00 0.12 -4.91 105.19 109.15 2dja n GLY 48 Ca 0.23 -0.76 -0.08 0.00 0.00 0.00 0.00 46.02 45.42 2dja n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dja n ARG 49 N 0.00 1.55 -1.35 1.61 1.74 -1.09 -4.59 116.66 114.53 2dja n ARG 49 Ca 0.00 0.01 -0.24 0.00 -0.77 0.00 0.00 57.85 56.85 2dja n ARG 49 Cb 0.00 -1.36 -0.09 0.00 -1.02 0.00 0.00 32.46 29.99 2dja n ARG 49 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2dja n HIS 50 N -2.58 1.17 0.12 -1.55 8.25 -1.11 -4.42 115.22 115.09 2dja n HIS 50 Ca -0.24 -1.95 -0.24 0.00 -0.26 0.00 0.00 57.72 55.03 2dja n HIS 50 Cb 0.94 -1.59 -0.16 0.00 1.12 0.00 0.00 29.99 30.31 2dja n HIS 50 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dja h ARG 51 N 3.31 0.48 -0.92 -0.41 3.08 -1.77 -3.34 114.38 114.81 2dja h ARG 51 Ca 0.39 -0.83 -0.63 0.00 0.07 0.00 0.00 59.98 58.97 2dja h ARG 51 Cb 0.94 0.31 -0.33 0.00 0.08 0.00 0.00 29.97 30.96 2dja h ARG 51 CO 0.77 1.40 0.33 -0.25 -1.07 0.00 0.00 179.97 181.15 2dja n ASP 52 N -3.73 6.78 -4.57 7.04 8.00 -1.26 -4.98 116.55 123.82 2dja n ASP 52 Ca -0.19 -3.78 -0.25 0.00 0.71 0.00 0.00 54.79 51.29 2dja n ASP 52 Cb 1.07 -0.77 -0.09 0.00 -0.02 0.00 0.00 41.12 41.31 2dja n ASP 52 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2dja s HIS 53 N -3.75 2.47 -0.22 1.24 3.76 -1.25 -5.11 115.29 112.43 2dja s HIS 53 Ca 0.60 -0.40 -0.20 0.00 -0.15 0.00 0.00 55.06 54.92 2dja s HIS 53 Cb 0.48 -1.30 -0.03 0.00 1.11 0.00 0.00 32.58 32.84 2dja s HIS 53 CO 0.01 0.58 0.59 -1.14 -0.85 0.00 0.00 174.74 173.93 2dja s GLN 54 N -3.64 4.17 0.09 1.40 2.00 -1.26 -5.00 119.66 117.43 2dja s GLN 54 Ca 0.33 0.53 0.06 0.00 -2.00 0.00 0.00 55.36 54.28 2dja s GLN 54 Cb -0.02 -3.60 -0.03 0.00 0.80 0.00 0.00 33.01 30.17 2dja s GLN 54 CO 0.18 -0.27 -0.17 0.14 -0.50 0.00 0.00 175.29 174.67 2dja s VAL 55 N 2.01 1.37 -0.25 1.34 -7.23 -1.26 0.50 120.40 116.88 2dja s VAL 55 Ca 0.26 -1.43 0.01 0.00 -1.81 0.00 0.00 61.98 59.02 2dja s VAL 55 Cb -0.16 -1.30 0.06 0.00 0.56 0.00 0.00 36.38 35.55 2dja s VAL 55 CO 0.10 -0.17 -0.05 0.00 -0.31 0.00 0.00 175.10 174.67 2dja s ALA 56 N -1.27 2.16 0.89 1.32 0.00 -1.21 -4.93 121.76 118.73 2dja s ALA 56 Ca 0.02 -1.56 -0.16 0.00 0.00 0.00 0.00 51.96 50.26 2dja s ALA 56 Cb -0.10 -1.52 -0.08 0.00 0.00 0.00 0.00 23.12 21.43 2dja s ALA 56 CO 0.03 -1.25 -0.17 -1.13 0.00 0.00 0.00 175.76 173.24 2dja n SER 57 N 4.59 -3.89 -0.08 0.00 3.41 -1.26 -3.64 113.62 112.75 2dja n SER 57 Ca -0.11 0.34 -0.14 0.00 -0.26 0.00 0.00 58.87 58.69 2dja n SER 57 Cb 0.43 -0.97 -0.06 0.00 -0.26 0.00 0.00 64.21 63.35 2dja n SER 57 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2dja n LEU 58 N 1.37 2.03 -1.85 1.04 4.77 -1.24 -4.93 117.00 118.20 2dja n LEU 58 Ca 0.03 0.07 -0.09 0.00 -0.03 0.00 0.00 56.01 55.99 2dja n LEU 58 Cb 0.53 -0.51 0.03 0.00 -2.33 0.00 0.00 43.42 41.15 2dja n LEU 58 CO 0.52 0.54 0.09 -3.20 -1.33 0.00 0.00 177.39 174.01 2dja n ASN 59 N -3.36 -3.27 -4.64 -1.43 5.15 -1.26 -5.04 115.26 101.41 2dja n ASN 59 Ca -0.30 -0.23 -0.29 0.00 -0.60 0.00 0.00 54.58 53.16 2dja n ASN 59 Cb 0.76 -2.39 0.12 0.00 -0.53 0.00 0.00 39.78 37.74 2dja n ASN 59 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2dja s ASP 60 N -3.26 4.05 -0.79 1.20 1.11 -1.26 -4.91 116.67 112.80 2dja s ASP 60 Ca 0.17 0.57 -0.25 0.00 0.18 0.00 0.00 52.55 53.22 2dja s ASP 60 Cb -0.07 -0.92 -0.07 0.00 1.07 0.00 0.00 42.92 42.93 2dja s ASP 60 CO 0.30 -2.17 2.10 -0.60 1.18 0.00 0.00 175.17 175.99 2dja s ARG 61 N -5.66 2.26 0.43 8.23 3.52 -1.26 -4.91 118.95 121.56 2dja s ARG 61 Ca 0.66 0.22 0.04 0.00 -0.13 0.00 0.00 55.73 56.52 2dja s ARG 61 Cb -0.08 -4.84 -0.04 0.00 -1.56 0.00 0.00 34.95 28.43 2dja s ARG 61 CO 0.50 -3.57 0.03 -0.59 -0.81 0.00 0.00 175.30 170.86 2dja s PHE 62 N 11.44 2.08 0.28 5.12 -0.71 -1.26 -5.17 117.98 129.76 2dja s PHE 62 Ca 0.78 -0.92 -0.10 0.00 -1.04 0.00 0.00 56.93 55.66 2dja s PHE 62 Cb -0.10 -1.54 -0.00 0.00 -1.21 0.00 0.00 43.02 40.16 2dja s PHE 62 CO 0.07 0.18 0.48 -2.00 -1.34 0.00 0.00 175.22 172.61 2dja s GLU 63 N -3.80 1.66 -1.01 1.99 2.12 -1.26 -5.09 118.70 113.31 2dja s GLU 63 Ca 0.23 -1.41 -0.19 0.00 0.36 0.00 0.00 54.97 53.95 2dja s GLU 63 Cb 0.06 0.46 0.11 0.00 0.26 0.00 0.00 34.13 35.02 2dja s GLU 63 CO 0.12 -0.69 1.30 -1.59 -0.54 0.00 0.00 175.26 173.85 2dja s LYS 64 N -3.67 3.68 -0.33 4.30 -2.85 -1.26 -4.77 119.74 114.84 2dja s LYS 64 Ca 0.25 -1.68 0.12 0.00 -1.00 0.00 0.00 55.97 53.67 2dja s LYS 64 Cb -0.00 -5.11 0.46 0.00 -2.06 0.00 0.00 37.83 31.12 2dja s LYS 64 CO 0.12 -1.93 1.11 1.47 0.10 0.00 0.00 175.35 176.22 2dja n LEU 65 N 7.26 3.51 -4.70 2.77 -0.00 -1.26 -5.08 117.00 119.50 2dja n LEU 65 Ca 0.30 -4.29 -0.44 0.00 -0.00 0.00 0.00 56.01 51.58 2dja n LEU 65 Cb 0.49 -0.05 -0.04 0.00 -0.00 0.00 0.00 43.42 43.82 2dja n LEU 65 CO 0.58 1.80 1.31 2.29 -0.00 0.00 0.00 177.39 183.36 2dja n LYS 66 N -0.52 2.52 -4.01 1.47 2.85 -1.26 -4.98 118.16 114.23 2dja n LYS 66 Ca 0.28 0.91 -0.10 0.00 -1.05 0.00 0.00 58.31 58.35 2dja n LYS 66 Cb 0.83 -2.73 -0.05 0.00 -0.65 0.00 0.00 35.03 32.44 2dja n LYS 66 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 2dja s GLN 67 N 1.18 1.66 -0.05 -1.58 -1.52 -1.26 -5.17 119.66 112.92 2dja s GLN 67 Ca 0.77 -1.38 0.06 0.00 -1.95 0.00 0.00 55.36 52.86 2dja s GLN 67 Cb -0.58 0.47 -0.01 0.00 -0.22 0.00 0.00 33.01 32.68 2dja s GLN 67 CO 0.35 -0.70 -0.22 -0.08 -0.25 0.00 0.00 175.29 174.40 2dja s THR 68 N -3.70 1.78 -0.30 -0.19 -1.32 -1.26 -5.11 115.64 105.54 2dja s THR 68 Ca 0.24 -0.92 -0.16 0.00 -1.21 0.00 0.00 61.69 59.64 2dja s THR 68 Cb -0.01 -1.51 0.18 0.00 -1.51 0.00 0.00 72.50 69.65 2dja s THR 68 CO 0.12 0.50 1.10 -1.48 -2.21 0.00 0.00 174.62 172.65 2dja s LEU 69 N -0.13 -0.37 -0.50 9.08 0.05 -1.26 -5.12 118.68 120.44 2dja s LEU 69 Ca -0.02 0.53 0.01 0.00 0.05 0.00 0.00 54.13 54.70 2dja s LEU 69 Cb -0.12 1.45 0.13 0.00 -2.05 0.00 0.00 46.19 45.60 2dja s LEU 69 CO 0.03 -0.08 0.26 -1.61 -0.55 0.00 0.00 176.35 174.40 2dja s GLU 70 N 1.97 2.04 0.47 1.48 0.41 -1.26 -4.99 118.70 118.82 2dja s GLU 70 Ca -0.04 -2.35 -0.23 0.00 -0.41 0.00 0.00 54.97 51.94 2dja s GLU 70 Cb -0.04 -3.44 -0.07 0.00 -1.78 0.00 0.00 34.13 28.80 2dja s GLU 70 CO -0.16 -1.09 1.20 1.41 -0.49 0.00 0.00 175.26 176.13 2dja s MET 71 N 0.18 3.70 1.04 1.61 -2.45 -1.26 -4.99 119.30 117.12 2dja s MET 71 Ca 0.15 1.86 -0.11 0.00 -1.25 0.00 0.00 55.69 56.34 2dja s MET 71 Cb -0.23 -2.42 0.22 0.00 1.25 0.00 0.00 34.83 33.65 2dja s MET 71 CO -0.03 -0.63 1.09 0.54 1.05 0.00 0.00 175.02 177.04 2dja s ASN 72 N -1.26 1.90 0.06 1.11 4.22 -1.26 -4.92 114.94 114.78 2dja s ASN 72 Ca 0.64 1.92 -0.31 0.00 -2.14 0.00 0.00 52.86 52.97 2dja s ASN 72 Cb -0.31 -2.47 -0.06 0.00 1.28 0.00 0.00 41.25 39.69 2dja s ASN 72 CO 0.37 -3.70 1.25 -0.76 -2.04 0.00 0.00 177.10 172.23 2dja s LEU 73 N -6.95 4.36 -0.45 3.54 1.43 -1.26 -5.00 118.68 114.35 2dja s LEU 73 Ca 0.68 2.07 0.03 0.00 -1.03 0.00 0.00 54.13 55.88 2dja s LEU 73 Cb -0.24 -3.58 0.12 0.00 0.03 0.00 0.00 46.19 42.52 2dja s LEU 73 CO 0.61 -0.53 0.20 0.42 0.23 0.00 0.00 176.35 177.28 2dja s THR 74 N 1.26 2.05 1.02 5.49 -4.23 -1.26 -5.05 115.64 114.92 2dja s THR 74 Ca 0.60 -2.77 -0.19 0.00 -1.18 0.00 0.00 61.69 58.15 2dja s THR 74 Cb -0.31 -2.45 -0.05 0.00 1.34 0.00 0.00 72.50 71.04 2dja s THR 74 CO 0.29 -0.78 -0.47 0.59 -0.54 0.00 0.00 174.62 173.70 2dja n ASN 75 N 3.58 -3.40 -4.76 3.99 3.02 -1.26 -4.85 115.26 111.57 2dja n ASN 75 Ca 0.05 0.10 -0.39 0.00 -0.03 0.00 0.00 54.58 54.31 2dja n ASN 75 Cb 0.35 -0.86 0.01 0.00 -0.61 0.00 0.00 39.78 38.67 2dja n ASN 75 CO 0.00 0.00 0.00 -1.48 -2.62 0.00 0.00 177.26 173.16 2dja s LEU 76 N 3.32 4.06 -0.18 3.41 0.05 -1.26 -5.03 118.68 123.06 2dja s LEU 76 Ca 0.47 2.74 -0.06 0.00 0.05 0.00 0.00 54.13 57.33 2dja s LEU 76 Cb -0.10 -4.05 0.08 0.00 -2.05 0.00 0.00 46.19 40.07 2dja s LEU 76 CO 0.71 -1.16 0.37 -0.69 -0.55 0.00 0.00 176.35 175.03 2dja s VAL 77 N -1.28 -0.53 -0.18 1.48 1.01 -1.26 -5.12 120.40 114.51 2dja s VAL 77 Ca 0.63 0.20 -0.39 0.00 0.00 0.00 0.00 61.98 62.41 2dja s VAL 77 Cb -0.40 -0.59 -0.16 0.00 0.00 0.00 0.00 36.38 35.23 2dja s VAL 77 CO 0.50 0.08 1.63 2.29 0.00 0.00 0.00 175.10 179.60 2dja n LYS 78 N 5.29 1.13 -0.33 2.72 -0.00 -1.26 -4.80 118.16 120.91 2dja n LYS 78 Ca -0.09 0.41 0.08 0.00 -0.00 0.00 0.00 58.31 58.71 2dja n LYS 78 Cb 0.50 -2.08 0.16 0.00 -0.00 0.00 0.00 35.03 33.61 2dja n LYS 78 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2dja n SER 79 N 4.59 -0.28 0.00 -5.58 3.41 -1.26 -4.90 113.62 109.60 2dja n SER 79 Ca 0.24 1.59 0.00 0.00 -0.26 0.00 0.00 58.87 60.45 2dja n SER 79 Cb 0.14 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 2dja n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dja n GLY 80 N -1.56 0.62 1.65 5.00 0.00 -1.26 -5.04 105.19 104.60 2dja n GLY 80 Ca 0.17 -1.16 -0.14 0.00 0.00 0.00 0.00 46.02 44.88 2dja n GLY 80 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dja n PRO 81 N 0.00 -2.03 -3.78 1.61 -0.04 -1.26 -5.10 135.00 124.40 2dja n PRO 81 Ca 0.00 -0.82 -0.03 0.00 -0.04 0.00 0.00 63.50 62.61 2dja n PRO 81 Cb 0.00 -0.77 -0.00 0.00 -0.04 0.00 0.00 33.50 32.68 2dja n PRO 81 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dja s SER 82 N -2.90 -0.12 -0.01 3.54 0.15 -1.26 -5.19 113.70 107.91 2dja s SER 82 Ca 0.33 -0.46 -0.25 0.00 0.70 0.00 0.00 55.95 56.27 2dja s SER 82 Cb -0.03 0.47 0.06 0.00 -1.71 0.00 0.00 66.02 64.80 2dja s SER 82 CO 0.26 -0.89 0.57 -0.55 1.20 0.00 0.00 173.24 173.83 2dja s SER 83 N -3.06 -0.51 0.00 5.45 0.15 -1.26 -5.32 113.70 109.14 2dja s SER 83 Ca 0.15 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.24 2dja s SER 83 Cb -0.01 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 2dja s SER 83 CO 0.03 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 174.47