#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dja s SER 2 N 0.00 -0.10 0.12 1.61 0.15 -1.26 -5.19 113.70 109.03 2dja s SER 2 Ca 0.00 -0.09 -0.25 0.00 0.70 0.00 0.00 55.95 56.31 2dja s SER 2 Cb 0.00 0.17 0.08 0.00 -1.71 0.00 0.00 66.02 64.56 2dja s SER 2 CO 0.00 -0.30 1.08 -0.94 1.20 0.00 0.00 173.24 174.28 2dja s SER 3 N -2.63 -0.07 -0.05 5.45 1.04 -1.26 -5.19 113.70 110.99 2dja s SER 3 Ca 0.12 -0.44 -0.17 0.00 0.48 0.00 0.00 55.95 55.94 2dja s SER 3 Cb 0.02 0.40 0.05 0.00 0.10 0.00 0.00 66.02 66.60 2dja s SER 3 CO -0.04 -0.77 0.75 0.61 0.98 0.00 0.00 173.24 174.77 2dja n GLY 4 N -0.59 0.23 3.82 7.32 0.00 -1.26 -5.19 105.19 109.52 2dja n GLY 4 Ca -0.05 -0.92 -0.08 0.00 0.00 0.00 0.00 46.02 44.97 2dja n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dja s SER 5 N -2.64 -0.03 0.12 1.61 0.15 -1.26 -5.13 113.70 106.52 2dja s SER 5 Ca 0.18 -1.04 -0.35 0.00 0.70 0.00 0.00 55.95 55.44 2dja s SER 5 Cb -0.00 0.81 -0.17 0.00 -1.71 0.00 0.00 66.02 64.96 2dja s SER 5 CO -0.02 -1.60 1.14 -0.24 1.20 0.00 0.00 173.24 173.72 2dja n SER 6 N -1.26 0.96 0.00 5.45 2.88 -1.26 -4.90 113.62 115.49 2dja n SER 6 Ca -0.07 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.60 2dja n SER 6 Cb 0.60 -1.13 0.00 0.00 -0.75 0.00 0.00 64.21 62.92 2dja n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dja n GLY 7 N 2.04 4.50 3.21 0.46 0.00 -1.26 -5.10 105.19 109.04 2dja n GLY 7 Ca 0.17 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 2dja n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dja s VAL 8 N 1.26 4.49 0.58 1.61 1.01 -1.26 -5.07 120.40 123.02 2dja s VAL 8 Ca 0.00 -2.38 -0.18 0.00 0.00 0.00 0.00 61.98 59.42 2dja s VAL 8 Cb 0.00 -3.88 -0.14 0.00 0.00 0.00 0.00 36.38 32.36 2dja s VAL 8 CO 0.00 -0.89 -0.11 -1.84 0.00 0.00 0.00 175.10 172.27 2dja n GLU 9 N 4.16 0.07 -2.16 2.72 0.28 -1.26 -4.81 120.64 119.64 2dja n GLU 9 Ca 0.04 0.03 -0.42 0.00 -0.16 0.00 0.00 57.16 56.64 2dja n GLU 9 Cb 0.42 -1.11 -0.03 0.00 1.43 0.00 0.00 31.44 32.15 2dja n GLU 9 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2dja s PRO 10 N -1.32 4.23 -0.01 3.44 0.04 -1.26 -5.01 135.00 135.10 2dja s PRO 10 Ca 0.57 2.01 0.01 0.00 0.04 0.00 0.00 61.00 63.63 2dja s PRO 10 Cb -0.45 -3.78 0.01 0.00 0.04 0.00 0.00 34.50 30.32 2dja s PRO 10 CO 0.66 -0.72 -0.02 0.08 0.04 0.00 0.00 177.00 177.04 2dja s VAL 11 N 3.31 0.21 0.47 -0.36 1.01 -1.26 -5.16 120.40 118.62 2dja s VAL 11 Ca 0.66 -0.06 -0.08 0.00 0.00 0.00 0.00 61.98 62.50 2dja s VAL 11 Cb -0.31 -0.22 0.12 0.00 0.00 0.00 0.00 36.38 35.97 2dja s VAL 11 CO 0.26 0.09 0.42 -0.81 0.00 0.00 0.00 175.10 175.05 2dja n PRO 12 N 3.34 -1.84 -3.66 2.72 -0.04 -1.26 -5.05 135.00 129.22 2dja n PRO 12 Ca -0.17 -0.67 -0.24 0.00 -0.04 0.00 0.00 63.50 62.37 2dja n PRO 12 Cb 0.56 -0.63 0.01 0.00 -0.04 0.00 0.00 33.50 33.41 2dja n PRO 12 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2dja s ASP 13 N -2.64 4.75 0.52 3.54 -4.77 -1.26 -4.88 116.67 111.93 2dja s ASP 13 Ca 0.27 -1.15 -0.19 0.00 -3.30 0.00 0.00 52.55 48.19 2dja s ASP 13 Cb -0.03 0.40 -0.07 0.00 -1.09 0.00 0.00 42.92 42.13 2dja s ASP 13 CO 0.21 -1.18 1.03 0.42 0.70 0.00 0.00 175.17 176.36 2dja s THR 14 N -2.75 3.89 0.00 2.11 -4.23 -1.26 -4.97 115.64 108.43 2dja s THR 14 Ca 0.41 1.07 0.00 0.00 -1.18 0.00 0.00 61.69 61.99 2dja s THR 14 Cb -0.03 -3.46 0.00 0.00 1.34 0.00 0.00 72.50 70.35 2dja s THR 14 CO 0.26 -0.36 0.00 0.00 -0.54 0.00 0.00 174.62 173.98 2dja n HIS 15 N -1.32 0.00 -3.80 3.99 1.44 -1.26 -5.03 115.22 109.24 2dja n HIS 15 Ca 0.09 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.67 2dja n HIS 15 Cb 0.53 0.06 -0.13 0.00 0.12 0.00 0.00 29.99 30.57 2dja n HIS 15 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2dja s LEU 16 N -4.19 1.28 0.09 2.39 1.43 -1.26 -5.12 118.68 113.30 2dja s LEU 16 Ca 0.00 0.28 -0.36 0.00 -1.03 0.00 0.00 54.13 53.02 2dja s LEU 16 Cb 0.00 0.44 -0.18 0.00 0.03 0.00 0.00 46.19 46.48 2dja s LEU 16 CO 0.00 -0.07 1.08 -1.14 0.23 0.00 0.00 176.35 176.45 2dja n ARG 17 N 3.33 0.56 -1.63 1.70 3.00 -1.26 -4.65 116.66 117.72 2dja n ARG 17 Ca -0.16 0.20 -0.65 0.00 -0.00 0.00 0.00 57.85 57.24 2dja n ARG 17 Cb 0.57 -1.67 -0.10 0.00 0.00 0.00 0.00 32.46 31.26 2dja n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2dja n GLY 18 N 1.92 0.16 0.31 5.14 0.00 -1.26 -4.81 105.19 106.65 2dja n GLY 18 Ca 0.18 1.03 -0.06 0.00 0.00 0.00 0.00 46.02 47.16 2dja n GLY 18 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2dja h ILE 19 N 5.51 0.29 -1.73 -0.61 1.08 -1.90 -3.42 117.51 116.73 2dja h ILE 19 Ca -0.36 0.00 -0.15 0.00 -0.39 0.00 0.00 64.86 63.96 2dja h ILE 19 Cb 1.38 0.29 0.09 0.00 -3.07 0.00 0.00 36.82 35.51 2dja h ILE 19 CO 1.00 0.00 -0.08 0.35 -0.69 0.00 0.00 178.15 178.74 2dja n THR 20 N -5.41 0.00 -3.08 -0.27 -2.24 -1.26 -4.19 114.28 97.83 2dja n THR 20 Ca 0.02 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.40 2dja n THR 20 Cb 0.32 -0.42 -0.05 0.00 -2.10 0.00 0.00 70.33 68.09 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 5.86 -0.23 -0.62 0.00 3.38 -1.89 -0.53 115.31 121.28 2dja h LEU 22 Ca -0.44 0.03 0.07 0.00 0.09 0.00 0.00 57.88 57.64 2dja h LEU 22 Cb 1.20 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.99 2dja h LEU 22 CO 0.71 -0.03 0.29 -0.78 0.09 0.00 0.00 178.44 178.72 2dja h ASP 23 N -0.01 0.38 -3.59 -0.43 1.82 -1.97 -3.35 116.42 109.26 2dja h ASP 23 Ca 0.02 0.05 -0.68 0.00 -0.39 0.00 0.00 57.03 56.02 2dja h ASP 23 Cb 0.05 -0.01 -0.36 0.00 0.68 0.00 0.00 39.33 39.69 2dja h ASP 23 CO -0.09 0.24 -0.63 -1.00 -1.61 0.00 0.00 179.24 176.15 2dja s HIS 24 N -6.10 3.58 -0.08 0.28 0.09 -0.28 -4.96 115.29 107.82 2dja s HIS 24 Ca -0.13 -2.50 0.00 0.00 -0.00 0.00 0.00 55.06 52.44 2dja s HIS 24 Cb 0.16 -2.94 0.09 0.00 -0.00 0.00 0.00 32.58 29.89 2dja s HIS 24 CO 0.75 -0.94 1.43 -0.85 -0.00 0.00 0.00 174.74 175.13 2dja n GLU 25 N 4.50 1.21 0.00 1.40 0.00 -0.73 -0.94 120.64 126.08 2dja n GLU 25 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 57.16 56.67 2dja n GLU 25 Cb 0.42 -1.18 0.00 0.00 0.00 0.00 0.00 31.44 30.67 2dja n GLU 25 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2dja n ASN 26 N 0.55 2.19 -4.65 -1.84 3.02 -1.26 -4.85 115.26 108.42 2dja n ASN 26 Ca 0.09 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.26 2dja n ASN 26 Cb 0.63 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.72 2dja n ASN 26 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2dja s GLU 27 N -1.80 4.12 -0.09 3.52 0.41 -1.23 -4.94 118.70 118.69 2dja s GLU 27 Ca 0.00 0.09 -0.30 0.00 -0.41 0.00 0.00 54.97 54.36 2dja s GLU 27 Cb 0.00 -3.56 -0.04 0.00 -1.78 0.00 0.00 34.13 28.75 2dja s GLU 27 CO 0.00 -0.08 1.51 0.15 -0.49 0.00 0.00 175.26 176.36 2dja s LYS 28 N 1.44 4.20 -0.32 1.61 1.02 -1.26 -2.09 119.74 124.34 2dja s LYS 28 Ca 0.16 2.01 -0.41 0.00 0.02 0.00 0.00 55.97 57.75 2dja s LYS 28 Cb -0.15 -3.89 -0.17 0.00 -0.52 0.00 0.00 37.83 33.11 2dja s LYS 28 CO 0.08 -0.79 1.71 1.33 -0.92 0.00 0.00 175.35 176.76 2dja n VAL 29 N 5.39 0.24 -1.26 3.17 0.24 -1.26 -4.72 118.33 120.13 2dja n VAL 29 Ca 0.16 -0.04 0.07 0.00 -2.04 0.00 0.00 64.34 62.49 2dja n VAL 29 Cb 0.43 -1.07 0.10 0.00 -1.47 0.00 0.00 33.84 31.83 2dja n VAL 29 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2dja n ASN 30 N 5.08 1.76 -4.09 -1.34 0.23 -0.74 -4.89 115.26 111.26 2dja n ASN 30 Ca 0.27 -2.78 -0.10 0.00 -0.53 0.00 0.00 54.58 51.45 2dja n ASN 30 Cb 0.09 -0.36 -0.09 0.00 -2.08 0.00 0.00 39.78 37.34 2dja n ASN 30 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 2dja s MET 31 N -2.11 1.04 -0.30 -3.83 -1.94 -0.71 -2.48 119.30 108.97 2dja s MET 31 Ca 0.23 -1.37 -0.01 0.00 -1.71 0.00 0.00 55.69 52.83 2dja s MET 31 Cb 0.20 0.29 0.10 0.00 2.01 0.00 0.00 34.83 37.43 2dja s MET 31 CO 0.02 -0.33 0.10 -0.47 -0.01 0.00 0.00 175.02 174.33 2dja s TYR 32 N -4.03 1.44 -0.56 -0.03 5.04 -0.61 -2.15 117.35 116.46 2dja s TYR 32 Ca 0.23 -1.53 -0.27 0.00 -2.44 0.00 0.00 57.07 53.06 2dja s TYR 32 Cb 0.06 -1.53 -0.01 0.00 0.35 0.00 0.00 41.96 40.83 2dja s TYR 32 CO 0.02 -0.85 1.77 0.00 -1.34 0.00 0.00 175.55 175.16 2dja h VAL 34 N 6.78 1.23 -0.72 0.00 2.07 -1.83 0.46 116.25 124.23 2dja h VAL 34 Ca -0.27 -0.71 0.10 0.00 0.82 0.00 0.00 66.70 66.64 2dja h VAL 34 Cb 1.15 0.61 -0.12 0.00 -1.52 0.00 0.00 31.29 31.41 2dja h VAL 34 CO 1.18 0.27 -0.43 -1.28 0.02 0.00 0.00 177.57 177.33 2dja h SER 35 N 0.80 -1.52 -0.47 0.57 0.87 -1.89 0.78 113.55 112.69 2dja h SER 35 Ca 0.19 0.27 0.00 0.00 -1.23 0.00 0.00 61.79 61.02 2dja h SER 35 Cb 0.20 0.72 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 2dja h SER 35 CO -0.02 -0.31 0.00 0.47 -0.53 0.00 0.00 176.83 176.44 2dja n ASP 36 N -5.41 4.83 -3.94 6.23 8.00 -1.18 -4.95 116.55 120.13 2dja n ASP 36 Ca 0.04 -2.84 -0.28 0.00 0.71 0.00 0.00 54.79 52.42 2dja n ASP 36 Cb 0.35 -0.60 -0.07 0.00 -0.02 0.00 0.00 41.12 40.78 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 0.32 -0.01 -4.11 -2.24 5.75 0.14 -4.89 116.55 111.51 2dja n ASP 37 Ca 0.25 -1.01 -0.18 0.00 -0.01 0.00 0.00 54.79 53.83 2dja n ASP 37 Cb 1.01 -1.27 -0.13 0.00 -1.03 0.00 0.00 41.12 39.70 2dja n ASP 37 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 2dja s GLN 38 N -6.32 0.79 0.29 0.11 0.74 -0.10 -4.96 119.66 110.20 2dja s GLN 38 Ca 0.23 -0.71 -0.26 0.00 0.05 0.00 0.00 55.36 54.67 2dja s GLN 38 Cb -0.14 -0.75 -0.09 0.00 1.10 0.00 0.00 33.01 33.13 2dja s GLN 38 CO 0.81 0.18 0.91 -0.51 -0.55 0.00 0.00 175.29 176.13 2dja s LEU 39 N -1.17 4.42 0.26 3.68 1.43 -1.26 -0.18 118.68 125.85 2dja s LEU 39 Ca -0.01 1.81 -0.02 0.00 -1.03 0.00 0.00 54.13 54.88 2dja s LEU 39 Cb -0.08 -3.85 -0.03 0.00 0.03 0.00 0.00 46.19 42.27 2dja s LEU 39 CO 0.01 0.01 0.27 0.27 0.23 0.00 0.00 176.35 177.14 2dja s ILE 40 N -1.49 0.00 0.24 -0.59 -4.36 -0.91 -4.87 121.20 109.22 2dja s ILE 40 Ca 0.47 -1.83 0.03 0.00 -0.26 0.00 0.00 60.65 59.05 2dja s ILE 40 Cb -0.20 -2.47 0.03 0.00 1.25 0.00 0.00 42.46 41.07 2dja s ILE 40 CO 0.25 0.00 0.23 0.00 0.24 0.00 0.00 174.94 175.66 2dja h ALA 42 N 0.61 -0.76 -1.04 0.00 0.00 -1.90 -2.88 119.26 113.28 2dja h ALA 42 Ca -0.14 -0.19 0.36 0.00 0.00 0.00 0.00 54.91 54.94 2dja h ALA 42 Cb 0.55 0.30 -0.15 0.00 0.00 0.00 0.00 17.79 18.49 2dja h ALA 42 CO 0.22 -0.86 0.60 -0.07 0.00 0.00 0.00 179.25 179.14 2dja h LEU 43 N -0.90 0.43 0.46 0.00 3.38 -1.97 0.49 115.31 117.21 2dja h LEU 43 Ca -0.08 0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2dja h LEU 43 Cb 0.63 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 2dja h LEU 43 CO 0.13 -0.21 -0.38 0.00 0.09 0.00 0.00 178.44 178.07 2dja h LYS 45 N -0.84 0.89 0.09 0.00 1.63 -0.80 0.68 116.57 118.23 2dja h LYS 45 Ca -0.05 -0.37 0.01 0.00 -0.85 0.00 0.00 60.65 59.39 2dja h LYS 45 Cb 0.72 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.28 2dja h LYS 45 CO -0.02 1.02 -0.37 -0.07 -3.45 0.00 0.00 179.45 176.57 2dja h LEU 46 N 0.72 -1.10 0.00 5.20 -0.00 -0.00 -3.34 115.31 116.79 2dja h LEU 46 Ca 0.10 0.12 0.00 0.00 -0.00 0.00 0.00 57.88 58.10 2dja h LEU 46 Cb 0.73 0.41 0.00 0.00 -0.00 0.00 0.00 40.66 41.80 2dja h LEU 46 CO 0.06 -0.39 -0.90 1.33 -0.00 0.00 0.00 178.44 178.54 2dja n VAL 47 N -4.54 0.00 -0.93 1.22 0.24 -0.33 -4.88 118.33 109.11 2dja n VAL 47 Ca -0.06 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.92 2dja n VAL 47 Cb 0.29 -0.58 0.03 0.00 -1.47 0.00 0.00 33.84 32.10 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 3.14 -3.60 0.31 7.63 0.00 0.24 -4.57 105.19 108.34 2dja n GLY 48 Ca 0.00 -0.51 0.09 0.00 0.00 0.00 0.00 46.02 45.60 2dja n GLY 48 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2dja h ARG 49 N -0.57 0.00 -1.58 1.61 3.08 -1.92 -0.42 114.38 114.58 2dja h ARG 49 Ca -0.37 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.55 2dja h ARG 49 Cb 1.16 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.15 2dja h ARG 49 CO 0.25 0.00 0.16 0.72 -1.07 0.00 0.00 179.97 180.04 2dja n HIS 50 N -2.62 0.64 -0.04 3.04 8.25 -1.23 -4.30 115.22 118.97 2dja n HIS 50 Ca -0.01 -1.23 -0.14 0.00 -0.26 0.00 0.00 57.72 56.07 2dja n HIS 50 Cb 0.57 -0.61 -0.09 0.00 1.12 0.00 0.00 29.99 30.98 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 0.93 0.31 -1.97 -0.41 3.08 -1.19 -3.34 114.38 111.80 2dja h ARG 51 Ca 0.12 -0.22 -0.67 0.00 0.07 0.00 0.00 59.98 59.29 2dja h ARG 51 Cb 1.07 0.03 -0.36 0.00 0.08 0.00 0.00 29.97 30.80 2dja h ARG 51 CO 0.29 0.83 -0.01 -0.40 -1.07 0.00 0.00 179.97 179.61 2dja n ASP 52 N -4.50 5.71 -4.79 7.04 5.75 -1.26 -4.95 116.55 119.55 2dja n ASP 52 Ca -0.08 -3.73 -0.23 0.00 -0.01 0.00 0.00 54.79 50.74 2dja n ASP 52 Cb 0.44 -0.74 -0.06 0.00 -1.03 0.00 0.00 41.12 39.73 2dja n ASP 52 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 2dja s HIS 53 N -3.78 2.66 -0.29 2.11 3.76 -1.25 -5.02 115.29 113.49 2dja s HIS 53 Ca 0.47 -0.52 -0.01 0.00 -0.15 0.00 0.00 55.06 54.86 2dja s HIS 53 Cb 0.34 -1.98 0.17 0.00 1.11 0.00 0.00 32.58 32.22 2dja s HIS 53 CO -0.21 0.11 2.09 0.00 -0.85 0.00 0.00 174.74 175.87 2dja n GLN 54 N -1.33 1.75 -1.30 1.40 10.64 -1.26 -4.97 117.38 122.31 2dja n GLN 54 Ca 0.00 -1.43 -0.35 0.00 -1.83 0.00 0.00 57.00 53.39 2dja n GLN 54 Cb 0.63 -1.58 0.10 0.00 -0.86 0.00 0.00 30.24 28.52 2dja n GLN 54 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.06 176.56 2dja n VAL 55 N 0.54 2.65 -3.65 -0.39 0.24 -1.26 -3.76 118.33 112.71 2dja n VAL 55 Ca 0.28 -0.34 -0.23 0.00 -2.04 0.00 0.00 64.34 62.01 2dja n VAL 55 Cb 0.57 -1.12 -0.17 0.00 -1.47 0.00 0.00 33.84 31.65 2dja n VAL 55 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2dja s ALA 56 N -1.88 0.36 1.00 2.33 0.00 -0.75 -4.91 121.76 117.90 2dja s ALA 56 Ca 0.73 -0.08 -0.17 0.00 0.00 0.00 0.00 51.96 52.44 2dja s ALA 56 Cb -0.33 -0.83 -0.13 0.00 0.00 0.00 0.00 23.12 21.83 2dja s ALA 56 CO 0.51 -0.83 -0.71 0.43 0.00 0.00 0.00 175.76 175.16 2dja n SER 57 N 5.28 -5.24 -4.16 0.00 7.64 -1.26 -1.57 113.62 114.32 2dja n SER 57 Ca -0.05 0.18 -0.34 0.00 1.01 0.00 0.00 58.87 59.67 2dja n SER 57 Cb 0.49 -0.80 -0.15 0.00 -1.01 0.00 0.00 64.21 62.75 2dja n SER 57 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2dja s LEU 58 N 6.69 3.11 0.47 -3.43 1.43 -1.04 -4.66 118.68 121.25 2dja s LEU 58 Ca 0.42 -0.98 -0.22 0.00 -1.03 0.00 0.00 54.13 52.33 2dja s LEU 58 Cb -0.16 -1.61 -0.11 0.00 0.03 0.00 0.00 46.19 44.35 2dja s LEU 58 CO 0.79 -0.13 0.70 0.59 0.23 0.00 0.00 176.35 178.54 2dja n ASN 59 N 4.60 -0.20 -4.04 2.29 3.02 -1.26 -4.94 115.26 114.73 2dja n ASN 59 Ca -0.16 0.90 -0.34 0.00 -0.03 0.00 0.00 54.58 54.95 2dja n ASN 59 Cb 0.46 -1.21 -0.09 0.00 -0.61 0.00 0.00 39.78 38.33 2dja n ASN 59 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2dja s ASP 60 N -0.96 5.34 -0.30 6.41 1.01 -1.26 -4.99 116.67 121.92 2dja s ASP 60 Ca 0.65 -3.44 -0.03 0.00 0.71 0.00 0.00 52.55 50.45 2dja s ASP 60 Cb -0.54 -1.81 0.19 0.00 1.01 0.00 0.00 42.92 41.77 2dja s ASP 60 CO 0.56 -0.22 0.66 -0.60 0.21 0.00 0.00 175.17 175.78 2dja s ARG 61 N -0.90 0.52 0.50 8.23 3.00 -1.26 -5.17 118.95 123.87 2dja s ARG 61 Ca 0.23 0.95 0.04 0.00 -1.00 0.00 0.00 55.73 55.96 2dja s ARG 61 Cb -0.12 0.53 0.03 0.00 0.00 0.00 0.00 34.95 35.39 2dja s ARG 61 CO -0.09 -0.55 0.69 -0.59 0.00 0.00 0.00 175.30 174.76 2dja s PHE 62 N 2.87 2.77 0.06 5.12 -0.12 -1.26 -5.13 117.98 122.29 2dja s PHE 62 Ca 0.17 -0.20 -0.07 0.00 -0.05 0.00 0.00 56.93 56.78 2dja s PHE 62 Cb -0.14 -2.59 -0.01 0.00 -0.63 0.00 0.00 43.02 39.65 2dja s PHE 62 CO -0.20 -0.71 0.14 -1.21 -0.05 0.00 0.00 175.22 173.19 2dja s GLU 63 N -4.60 0.72 -1.39 1.99 0.41 -1.26 -4.88 118.70 109.69 2dja s GLU 63 Ca 0.57 -0.87 -0.16 0.00 -0.41 0.00 0.00 54.97 54.10 2dja s GLU 63 Cb -0.10 0.29 0.16 0.00 -1.78 0.00 0.00 34.13 32.70 2dja s GLU 63 CO 0.36 -0.20 0.40 1.17 -0.49 0.00 0.00 175.26 176.50 2dja n LYS 64 N 0.33 -0.80 -4.30 1.61 3.00 -1.26 -4.86 118.16 111.88 2dja n LYS 64 Ca -0.17 0.10 -0.16 0.00 -0.00 0.00 0.00 58.31 58.09 2dja n LYS 64 Cb 0.60 -3.44 -0.10 0.00 0.00 0.00 0.00 35.03 32.09 2dja n LYS 64 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2dja s LEU 65 N -5.77 2.31 -0.13 3.14 2.96 -1.26 -5.15 118.68 114.79 2dja s LEU 65 Ca 0.56 -1.14 -0.02 0.00 -0.22 0.00 0.00 54.13 53.31 2dja s LEU 65 Cb -0.32 -0.29 0.04 0.00 0.50 0.00 0.00 46.19 46.11 2dja s LEU 65 CO 0.77 -0.45 -0.01 -0.54 -1.32 0.00 0.00 176.35 174.81 2dja s LYS 66 N -3.82 0.87 -1.28 1.98 -0.14 -1.26 -5.06 119.74 111.03 2dja s LYS 66 Ca 0.24 -0.19 -0.19 0.00 -1.36 0.00 0.00 55.97 54.47 2dja s LYS 66 Cb 0.04 -1.55 0.03 0.00 -1.68 0.00 0.00 37.83 34.67 2dja s LYS 66 CO 0.05 -0.42 1.82 0.94 -0.76 0.00 0.00 175.35 176.98 2dja n GLN 67 N 5.05 2.81 -3.58 1.68 -0.06 -1.26 -4.80 117.38 117.21 2dja n GLN 67 Ca -0.09 -3.04 -0.28 0.00 -2.00 0.00 0.00 57.00 51.59 2dja n GLN 67 Cb 0.49 -3.52 -0.11 0.00 -4.06 0.00 0.00 30.24 23.03 2dja n GLN 67 CO 0.00 0.00 0.00 0.95 -0.20 0.00 0.00 177.06 177.81 2dja s THR 68 N 5.60 1.13 0.01 1.69 -4.23 -1.26 -5.09 115.64 113.49 2dja s THR 68 Ca 0.57 -2.92 -0.29 0.00 -1.18 0.00 0.00 61.69 57.86 2dja s THR 68 Cb 0.04 -1.77 0.11 0.00 1.34 0.00 0.00 72.50 72.22 2dja s THR 68 CO 0.08 -1.09 1.25 -1.48 -0.54 0.00 0.00 174.62 172.84 2dja s LEU 69 N -0.14 -0.06 -0.30 4.79 0.05 -1.26 -5.17 118.68 116.59 2dja s LEU 69 Ca 0.26 -0.19 -0.17 0.00 0.05 0.00 0.00 54.13 54.09 2dja s LEU 69 Cb -0.06 1.48 0.18 0.00 -2.05 0.00 0.00 46.19 45.73 2dja s LEU 69 CO -0.13 -0.38 1.11 -1.83 -0.55 0.00 0.00 176.35 174.57 2dja s GLU 70 N -2.47 0.19 0.07 1.48 -1.05 -1.26 -5.18 118.70 110.48 2dja s GLU 70 Ca 0.16 0.47 -0.27 0.00 -0.15 0.00 0.00 54.97 55.18 2dja s GLU 70 Cb 0.04 0.28 0.09 0.00 -0.44 0.00 0.00 34.13 34.10 2dja s GLU 70 CO -0.03 -0.06 1.14 0.00 0.95 0.00 0.00 175.26 177.26 2dja s MET 71 N 2.29 0.81 -0.27 -4.83 0.23 -1.26 -5.17 119.30 111.09 2dja s MET 71 Ca -0.01 -0.47 -0.11 0.00 -1.03 0.00 0.00 55.69 54.07 2dja s MET 71 Cb -0.04 0.26 0.11 0.00 -1.53 0.00 0.00 34.83 33.63 2dja s MET 71 CO -0.17 -0.37 0.62 0.54 -2.03 0.00 0.00 175.02 173.61 2dja s ASN 72 N -3.11 -0.94 -0.17 -1.18 4.22 -1.26 -5.14 114.94 107.37 2dja s ASN 72 Ca 0.16 1.45 -0.05 0.00 -2.14 0.00 0.00 52.86 52.28 2dja s ASN 72 Cb 0.01 1.82 0.06 0.00 1.28 0.00 0.00 41.25 44.43 2dja s ASN 72 CO -0.00 -0.23 0.11 -0.76 -2.04 0.00 0.00 177.10 174.18 2dja s LEU 73 N 2.40 0.26 -0.30 3.54 1.02 -1.26 -5.01 118.68 119.33 2dja s LEU 73 Ca -0.07 -0.51 0.14 0.00 0.02 0.00 0.00 54.13 53.71 2dja s LEU 73 Cb -0.10 -0.14 0.47 0.00 0.02 0.00 0.00 46.19 46.45 2dja s LEU 73 CO -0.18 -0.34 1.13 0.35 0.02 0.00 0.00 176.35 177.32 2dja n THR 74 N 5.29 1.88 -3.94 5.49 -2.24 -1.26 -4.75 114.28 114.75 2dja n THR 74 Ca -0.07 -3.69 -0.09 0.00 -2.27 0.00 0.00 64.05 57.93 2dja n THR 74 Cb 0.49 -0.05 -0.03 0.00 -2.10 0.00 0.00 70.33 68.63 2dja n THR 74 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2dja s ASN 75 N -3.62 -0.09 -0.11 3.42 2.47 -1.26 -5.17 114.94 110.57 2dja s ASN 75 Ca 0.39 -0.86 -0.30 0.00 0.42 0.00 0.00 52.86 52.51 2dja s ASN 75 Cb 0.38 0.66 0.12 0.00 -1.45 0.00 0.00 41.25 40.96 2dja s ASN 75 CO -0.02 -1.27 0.95 -1.48 -3.72 0.00 0.00 177.10 171.56 2dja s LEU 76 N -3.00 -0.39 0.00 3.21 -0.00 -1.26 -4.89 118.68 112.36 2dja s LEU 76 Ca 0.18 0.31 0.00 0.00 -0.00 0.00 0.00 54.13 54.63 2dja s LEU 76 Cb -0.03 1.95 0.00 0.00 -0.00 0.00 0.00 46.19 48.11 2dja s LEU 76 CO 0.09 -0.43 0.00 1.33 -0.00 0.00 0.00 176.35 177.34 2dja n VAL 77 N 0.47 0.00 0.06 1.48 0.24 -1.26 -4.99 118.33 114.34 2dja n VAL 77 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.20 2dja n VAL 77 Cb 0.59 -0.43 0.00 0.00 -1.47 0.00 0.00 33.84 32.53 2dja n VAL 77 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2dja n LYS 78 N -1.99 0.00 -1.45 7.34 4.81 -1.26 -5.07 118.16 120.54 2dja n LYS 78 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 58.31 56.91 2dja n LYS 78 Cb 0.34 -0.36 -0.05 0.00 0.02 0.00 0.00 35.03 34.97 2dja n LYS 78 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2dja n SER 79 N -3.39 -0.62 0.00 3.14 3.41 -1.26 -4.84 113.62 110.05 2dja n SER 79 Ca 0.00 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.75 2dja n SER 79 Cb 0.06 -0.94 0.00 0.00 -0.26 0.00 0.00 64.21 63.07 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 1.76 0.28 3.71 5.00 0.00 -1.26 -4.84 105.19 109.84 2dja n GLY 80 Ca 0.19 0.25 -0.42 0.00 0.00 0.00 0.00 46.02 46.04 2dja n GLY 80 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dja s PRO 81 N 0.79 4.33 -0.97 1.61 0.04 -1.26 -4.98 135.00 134.56 2dja s PRO 81 Ca 0.00 2.03 -0.07 0.00 0.04 0.00 0.00 61.00 63.00 2dja s PRO 81 Cb 0.00 -3.30 0.24 0.00 0.04 0.00 0.00 34.50 31.49 2dja s PRO 81 CO 0.00 -0.43 0.91 -1.54 0.04 0.00 0.00 177.00 175.98 2dja s SER 82 N 1.20 6.69 -0.54 6.66 1.04 -1.26 -4.94 113.70 122.54 2dja s SER 82 Ca 0.64 -3.45 0.04 0.00 0.48 0.00 0.00 55.95 53.66 2dja s SER 82 Cb -0.35 -2.09 0.15 0.00 0.10 0.00 0.00 66.02 63.83 2dja s SER 82 CO 0.30 -0.30 0.36 -0.44 0.98 0.00 0.00 173.24 174.13 2dja s SER 83 N 0.96 3.73 0.00 7.02 0.01 -1.26 -5.29 113.70 118.87 2dja s SER 83 Ca 0.27 -3.23 0.00 0.00 1.31 0.00 0.00 55.95 54.30 2dja s SER 83 Cb -0.10 -1.21 0.00 0.00 0.21 0.00 0.00 66.02 64.92 2dja s SER 83 CO -0.09 -0.17 0.00 0.61 0.41 0.00 0.00 173.24 173.99