#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 -0.12 0.05 1.61 0.01 -1.26 -5.19 113.70 108.80 2dja s SER 2 Ca 0.00 -0.85 -0.27 0.00 1.31 0.00 0.00 55.95 56.14 2dja s SER 2 Cb 0.00 0.76 0.09 0.00 0.21 0.00 0.00 66.02 67.08 2dja s SER 2 CO 0.00 -1.45 1.20 -0.55 0.41 0.00 0.00 173.24 172.86 2dja s SER 3 N -2.99 -0.02 -0.01 2.44 0.15 -1.26 -5.20 113.70 106.82 2dja s SER 3 Ca 0.14 -0.33 -0.30 0.00 0.70 0.00 0.00 55.95 56.17 2dja s SER 3 Cb -0.05 0.26 0.11 0.00 -1.71 0.00 0.00 66.02 64.63 2dja s SER 3 CO 0.09 -0.51 1.15 -0.83 1.20 0.00 0.00 173.24 174.33 2dja s GLY 4 N -3.48 -0.35 -0.15 9.45 0.00 -1.26 -5.19 107.32 106.35 2dja s GLY 4 Ca 0.23 0.78 -0.31 0.00 0.00 0.00 0.00 44.72 45.42 2dja s GLY 4 CO 0.00 0.20 1.07 -1.35 0.00 0.00 0.00 173.10 173.02 2dja s SER 5 N -2.75 -0.27 -0.01 1.64 1.04 -1.26 -5.19 113.70 106.90 2dja s SER 5 Ca 0.12 0.18 -0.29 0.00 0.48 0.00 0.00 55.95 56.44 2dja s SER 5 Cb 0.01 0.25 0.10 0.00 0.10 0.00 0.00 66.02 66.49 2dja s SER 5 CO -0.03 -0.34 0.88 -0.55 0.98 0.00 0.00 173.24 174.18 2dja s SER 6 N -1.62 -0.38 0.00 7.02 0.15 -1.26 -5.16 113.70 112.45 2dja s SER 6 Ca 0.04 0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.73 2dja s SER 6 Cb -0.01 0.39 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 2dja s SER 6 CO -0.03 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.40 2dja n GLY 7 N -0.16 1.63 3.07 9.45 0.00 -1.26 -5.17 105.19 112.75 2dja n GLY 7 Ca -0.09 0.39 -0.23 0.00 0.00 0.00 0.00 46.02 46.09 2dja n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2dja s VAL 8 N 0.00 1.08 -0.03 1.61 -7.23 -1.26 -5.14 120.40 109.43 2dja s VAL 8 Ca 0.00 -0.53 0.05 0.00 -1.81 0.00 0.00 61.98 59.69 2dja s VAL 8 Cb 0.00 -0.94 -0.03 0.00 0.56 0.00 0.00 36.38 35.98 2dja s VAL 8 CO 0.00 0.32 -0.17 -0.70 -0.31 0.00 0.00 175.10 174.24 2dja s GLU 9 N 0.06 2.34 1.19 4.82 2.12 -1.26 -5.13 118.70 122.84 2dja s GLU 9 Ca -0.02 -0.80 -0.19 0.00 0.36 0.00 0.00 54.97 54.33 2dja s GLU 9 Cb -0.09 -2.27 0.28 0.00 0.26 0.00 0.00 34.13 32.30 2dja s GLU 9 CO 0.01 0.60 1.11 -1.25 -0.54 0.00 0.00 175.26 175.18 2dja s PRO 10 N -0.84 -1.12 -0.08 4.30 0.04 -1.26 -5.07 135.00 130.97 2dja s PRO 10 Ca 0.12 -0.02 -0.00 0.00 0.04 0.00 0.00 61.00 61.13 2dja s PRO 10 Cb -0.10 -1.60 0.02 0.00 0.04 0.00 0.00 34.50 32.86 2dja s PRO 10 CO 0.01 -3.65 -0.04 0.08 0.04 0.00 0.00 177.00 173.44 2dja s VAL 11 N -3.00 0.67 -0.63 -0.36 1.01 -1.26 -5.09 120.40 111.74 2dja s VAL 11 Ca 0.70 -0.10 -0.26 0.00 0.00 0.00 0.00 61.98 62.32 2dja s VAL 11 Cb -0.10 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 2dja s VAL 11 CO 0.56 0.30 1.87 -2.16 0.00 0.00 0.00 175.10 175.66 2dja s PRO 12 N 1.59 2.62 -0.68 2.72 0.04 -1.26 -4.94 135.00 135.09 2dja s PRO 12 Ca 0.00 0.54 -0.19 0.00 0.04 0.00 0.00 61.00 61.40 2dja s PRO 12 Cb -0.13 -4.44 0.12 0.00 0.04 0.00 0.00 34.50 30.09 2dja s PRO 12 CO -0.05 -2.78 0.81 -0.51 0.04 0.00 0.00 177.00 174.52 2dja s ASP 13 N 8.09 6.32 -0.02 6.66 1.11 -1.26 -5.00 116.67 132.57 2dja s ASP 13 Ca 0.67 -1.63 -0.07 0.00 0.18 0.00 0.00 52.55 51.71 2dja s ASP 13 Cb -0.12 -2.32 0.01 0.00 1.07 0.00 0.00 42.92 41.55 2dja s ASP 13 CO 0.19 -1.09 0.15 0.28 1.18 0.00 0.00 175.17 175.88 2dja s THR 14 N 2.57 0.05 -0.92 -1.27 -1.32 -1.26 -5.10 115.64 108.39 2dja s THR 14 Ca 0.17 -0.41 -0.21 0.00 -1.21 0.00 0.00 61.69 60.03 2dja s THR 14 Cb -0.19 -0.35 0.10 0.00 -1.51 0.00 0.00 72.50 70.55 2dja s THR 14 CO 0.02 -0.23 1.21 -1.00 -2.21 0.00 0.00 174.62 172.42 2dja s HIS 15 N -0.79 2.87 -1.25 9.09 3.76 -1.26 -4.94 115.29 122.76 2dja s HIS 15 Ca -0.09 -1.09 -0.15 0.00 -0.15 0.00 0.00 55.06 53.58 2dja s HIS 15 Cb -0.05 -4.42 0.13 0.00 1.11 0.00 0.00 32.58 29.35 2dja s HIS 15 CO 0.01 -1.66 1.58 1.28 -0.85 0.00 0.00 174.74 175.10 2dja n LEU 16 N 7.48 5.16 -0.08 0.89 4.77 -1.26 -4.71 117.00 129.25 2dja n LEU 16 Ca 0.23 -4.24 -0.08 0.00 -0.03 0.00 0.00 56.01 51.89 2dja n LEU 16 Cb 0.49 -1.67 -0.03 0.00 -2.33 0.00 0.00 43.42 39.88 2dja n LEU 16 CO 0.57 0.51 -0.49 -1.14 -1.33 0.00 0.00 177.39 175.52 2dja n ARG 17 N 6.73 0.49 0.00 3.23 0.63 -1.26 -5.08 116.66 121.40 2dja n ARG 17 Ca 0.42 0.44 0.00 0.00 -0.92 0.00 0.00 57.85 57.79 2dja n ARG 17 Cb 0.44 -1.62 0.00 0.00 0.45 0.00 0.00 32.46 31.73 2dja n ARG 17 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2dja n GLY 18 N 1.55 0.59 0.35 5.14 0.00 -1.26 -5.06 105.19 106.49 2dja n GLY 18 Ca -0.12 -0.79 -0.17 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 0.35 -3.44 -0.61 2.04 -1.97 -3.45 117.51 110.43 2dja h ILE 19 Ca 0.00 -0.14 -0.41 0.00 1.00 0.00 0.00 64.86 65.31 2dja h ILE 19 Cb 0.00 0.40 0.20 0.00 -0.74 0.00 0.00 36.82 36.68 2dja h ILE 19 CO 0.00 0.02 0.11 0.42 0.00 0.00 0.00 178.15 178.70 2dja s THR 20 N -5.63 1.54 0.47 -0.27 -4.23 -1.26 -4.18 115.64 102.09 2dja s THR 20 Ca -0.17 0.00 -0.20 0.00 -1.18 0.00 0.00 61.69 60.15 2dja s THR 20 Cb 0.03 -2.45 -0.09 0.00 1.34 0.00 0.00 72.50 71.32 2dja s THR 20 CO 0.58 0.00 1.00 0.00 -0.54 0.00 0.00 174.62 175.66 2dja h LEU 22 N 1.56 -0.33 -0.49 0.00 3.38 -1.89 -3.07 115.31 114.48 2dja h LEU 22 Ca -0.49 0.01 0.08 0.00 0.09 0.00 0.00 57.88 57.57 2dja h LEU 22 Cb 1.20 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.97 2dja h LEU 22 CO 0.60 -0.23 0.12 0.44 0.09 0.00 0.00 178.44 179.46 2dja h ASP 23 N -0.39 0.05 -3.72 -0.43 3.32 -1.96 -3.36 116.42 109.93 2dja h ASP 23 Ca -0.04 0.08 -0.69 0.00 0.02 0.00 0.00 57.03 56.40 2dja h ASP 23 Cb 0.30 0.10 -0.32 0.00 0.22 0.00 0.00 39.33 39.62 2dja h ASP 23 CO 0.06 0.06 -0.67 -1.00 -1.72 0.00 0.00 179.24 175.98 2dja s HIS 24 N -6.14 3.29 -0.10 4.55 3.76 -1.22 -4.97 115.29 114.47 2dja s HIS 24 Ca -0.13 -1.83 0.00 0.00 -0.15 0.00 0.00 55.06 52.95 2dja s HIS 24 Cb 0.15 -2.25 0.10 0.00 1.11 0.00 0.00 32.58 31.69 2dja s HIS 24 CO 0.73 -0.80 1.61 -0.85 -0.85 0.00 0.00 174.74 174.57 2dja n GLU 25 N 4.66 1.26 0.00 1.40 0.28 -1.16 -2.08 120.64 125.01 2dja n GLU 25 Ca -0.12 -0.56 0.00 0.00 -0.16 0.00 0.00 57.16 56.32 2dja n GLU 25 Cb 0.43 -1.22 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 0.67 2.04 -4.68 -1.84 3.02 -1.26 -4.88 115.26 108.32 2dja n ASN 26 Ca 0.11 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.29 2dja n ASN 26 Cb 0.61 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.70 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 -1.51 4.15 -0.14 3.52 0.41 -1.23 -4.92 118.70 118.98 2dja s GLU 27 Ca 0.00 -0.01 -0.29 0.00 -0.41 0.00 0.00 54.97 54.25 2dja s GLU 27 Cb 0.00 -3.51 -0.02 0.00 -1.78 0.00 0.00 34.13 28.82 2dja s GLU 27 CO 0.00 0.06 1.24 0.15 -0.49 0.00 0.00 175.26 176.22 2dja s LYS 28 N 1.03 4.27 -0.37 1.61 1.02 -1.26 -0.94 119.74 125.09 2dja s LYS 28 Ca 0.14 1.65 -0.44 0.00 0.02 0.00 0.00 55.97 57.34 2dja s LYS 28 Cb -0.14 -3.70 -0.19 0.00 -0.52 0.00 0.00 37.83 33.27 2dja s LYS 28 CO 0.05 -0.63 1.43 1.33 -0.92 0.00 0.00 175.35 176.61 2dja n VAL 29 N 5.17 0.00 0.19 3.17 0.24 -1.26 -4.82 118.33 121.02 2dja n VAL 29 Ca 0.13 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.45 2dja n VAL 29 Cb 0.45 -0.37 -0.01 0.00 -1.47 0.00 0.00 33.84 32.45 2dja n VAL 29 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2dja n ASN 30 N 3.31 0.70 -4.46 -1.34 5.15 -1.02 -4.92 115.26 112.68 2dja n ASN 30 Ca 0.28 -0.85 -0.22 0.00 -0.60 0.00 0.00 54.58 53.18 2dja n ASN 30 Cb -0.03 0.57 -0.11 0.00 -0.53 0.00 0.00 39.78 39.69 2dja n ASN 30 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2dja s MET 31 N -0.96 1.65 -0.29 1.20 -1.94 -0.73 -3.62 119.30 114.60 2dja s MET 31 Ca 0.03 -1.90 0.00 0.00 -1.71 0.00 0.00 55.69 52.11 2dja s MET 31 Cb 0.03 -0.97 0.09 0.00 2.01 0.00 0.00 34.83 36.00 2dja s MET 31 CO 0.12 -0.14 0.06 -0.47 -0.01 0.00 0.00 175.02 174.59 2dja s TYR 32 N -3.21 2.08 -0.73 -0.03 5.04 -1.26 -2.44 117.35 116.81 2dja s TYR 32 Ca 0.35 -1.86 -0.26 0.00 -2.44 0.00 0.00 57.07 52.86 2dja s TYR 32 Cb 0.08 -1.83 -0.05 0.00 0.35 0.00 0.00 41.96 40.51 2dja s TYR 32 CO 0.15 -0.85 2.04 0.00 -1.34 0.00 0.00 175.55 175.55 2dja h VAL 34 N 7.25 1.23 -0.22 0.00 2.07 -0.90 0.37 116.25 126.04 2dja h VAL 34 Ca -0.09 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 66.80 2dja h VAL 34 Cb 1.10 0.38 -0.07 0.00 -1.52 0.00 0.00 31.29 31.17 2dja h VAL 34 CO 1.18 0.28 -0.47 0.28 0.02 0.00 0.00 177.57 178.86 2dja h SER 35 N 0.98 -1.49 -0.55 0.57 0.02 -1.87 -1.51 113.55 109.69 2dja h SER 35 Ca 0.24 0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 61.35 2dja h SER 35 Cb 0.14 0.61 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 2dja h SER 35 CO -0.03 -0.43 0.04 0.47 -1.14 0.00 0.00 176.83 175.75 2dja n ASP 36 N -5.43 5.31 -4.11 3.07 8.00 -1.17 -4.94 116.55 117.28 2dja n ASP 36 Ca -0.04 -3.01 -0.29 0.00 0.71 0.00 0.00 54.79 52.17 2dja n ASP 36 Cb 0.36 -0.68 -0.09 0.00 -0.02 0.00 0.00 41.12 40.70 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 0.31 0.46 -4.20 -2.24 5.75 0.11 -4.91 116.55 111.83 2dja n ASP 37 Ca 0.29 -1.12 -0.19 0.00 -0.01 0.00 0.00 54.79 53.76 2dja n ASP 37 Cb 1.19 -1.40 -0.12 0.00 -1.03 0.00 0.00 41.12 39.76 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 -6.80 0.90 -0.40 0.11 2.00 0.19 -4.97 119.66 110.70 2dja s GLN 38 Ca 0.11 -1.05 -0.22 0.00 -2.00 0.00 0.00 55.36 52.21 2dja s GLN 38 Cb -0.07 -0.89 0.01 0.00 0.80 0.00 0.00 33.01 32.87 2dja s GLN 38 CO 0.88 0.19 0.71 -0.51 -0.50 0.00 0.00 175.29 176.07 2dja s LEU 39 N -1.95 4.26 0.51 3.68 1.43 -1.26 0.92 118.68 126.27 2dja s LEU 39 Ca 0.02 0.05 0.04 0.00 -1.03 0.00 0.00 54.13 53.21 2dja s LEU 39 Cb -0.09 -2.88 0.00 0.00 0.03 0.00 0.00 46.19 43.26 2dja s LEU 39 CO 0.03 -0.74 0.22 0.27 0.23 0.00 0.00 176.35 176.35 2dja s ILE 40 N 2.98 1.59 0.54 -0.59 -4.36 -1.02 -4.70 121.20 115.63 2dja s ILE 40 Ca 0.27 -1.72 0.03 0.00 -0.26 0.00 0.00 60.65 58.98 2dja s ILE 40 Cb -0.13 -2.30 0.02 0.00 1.25 0.00 0.00 42.46 41.30 2dja s ILE 40 CO 0.18 0.00 0.23 0.00 0.24 0.00 0.00 174.94 175.59 2dja h ALA 42 N 0.97 0.53 -0.39 0.00 0.00 -1.94 -2.16 119.26 116.26 2dja h ALA 42 Ca -0.40 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.51 2dja h ALA 42 Cb 1.32 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2dja h ALA 42 CO 0.64 0.01 0.26 -0.07 0.00 0.00 0.00 179.25 180.10 2dja h LEU 43 N 0.55 0.27 -0.67 0.00 3.38 -1.98 0.49 115.31 117.36 2dja h LEU 43 Ca 0.15 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 2dja h LEU 43 Cb -0.02 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2dja h LEU 43 CO -0.03 0.18 0.16 0.00 0.09 0.00 0.00 178.44 178.85 2dja h LYS 45 N 1.00 0.00 0.65 0.00 1.63 -1.09 -1.61 116.57 117.14 2dja h LYS 45 Ca 0.21 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.98 2dja h LYS 45 Cb 0.36 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.00 2dja h LYS 45 CO 0.00 0.56 -0.31 -0.07 -3.45 0.00 0.00 179.45 176.18 2dja h LEU 46 N 0.00 -0.74 0.00 5.20 4.07 0.11 -3.33 115.31 120.61 2dja h LEU 46 Ca -0.11 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.88 2dja h LEU 46 Cb 1.66 0.19 0.00 0.00 1.08 0.00 0.00 40.66 43.59 2dja h LEU 46 CO 0.08 -0.41 -0.75 1.33 -1.08 0.00 0.00 178.44 177.60 2dja n VAL 47 N -5.01 0.00 -0.42 1.22 0.24 -0.67 -4.91 118.33 108.78 2dja n VAL 47 Ca -0.11 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.06 2dja n VAL 47 Cb 0.35 -0.27 0.13 0.00 -1.47 0.00 0.00 33.84 32.58 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 2.16 -2.00 1.52 7.63 0.00 -0.09 -4.77 105.19 109.64 2dja n GLY 48 Ca 0.00 -0.65 -0.08 0.00 0.00 0.00 0.00 46.02 45.29 2dja n GLY 48 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2dja n ARG 49 N -1.44 1.40 -0.21 1.61 1.85 -1.22 -3.56 116.66 115.09 2dja n ARG 49 Ca 0.06 -0.87 0.04 0.00 -1.00 0.00 0.00 57.85 56.08 2dja n ARG 49 Cb 0.27 -1.34 0.06 0.00 -1.05 0.00 0.00 32.46 30.40 2dja n ARG 49 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2dja n HIS 50 N 0.39 0.00 -0.20 2.89 8.25 -0.95 -4.81 115.22 120.80 2dja n HIS 50 Ca 0.17 -0.49 -0.07 0.00 -0.26 0.00 0.00 57.72 57.07 2dja n HIS 50 Cb 0.70 -0.09 0.03 0.00 1.12 0.00 0.00 29.99 31.75 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 0.00 0.76 -2.85 -0.41 3.08 -1.66 -3.23 114.38 110.07 2dja h ARG 51 Ca 0.00 -0.06 -0.79 0.00 0.07 0.00 0.00 59.98 59.20 2dja h ARG 51 Cb 1.08 -0.16 -0.29 0.00 0.08 0.00 0.00 29.97 30.67 2dja h ARG 51 CO 0.00 0.54 0.66 -0.25 -1.07 0.00 0.00 179.97 179.84 2dja n ASP 52 N -4.66 6.19 -4.13 7.04 8.00 -1.26 -4.98 116.55 122.75 2dja n ASP 52 Ca 0.04 -3.42 -0.11 0.00 0.71 0.00 0.00 54.79 52.01 2dja n ASP 52 Cb 0.04 -1.22 -0.09 0.00 -0.02 0.00 0.00 41.12 39.84 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 -2.77 0.90 -0.85 1.24 3.76 -1.22 -5.11 115.29 111.25 2dja s HIS 53 Ca 0.32 -1.17 -0.15 0.00 -0.15 0.00 0.00 55.06 53.91 2dja s HIS 53 Cb 0.06 -0.32 0.20 0.00 1.11 0.00 0.00 32.58 33.63 2dja s HIS 53 CO 0.10 -0.74 0.84 -1.14 -0.85 0.00 0.00 174.74 172.94 2dja s GLN 54 N -4.11 3.61 -0.20 1.40 0.74 -1.26 -5.01 119.66 114.83 2dja s GLN 54 Ca 0.33 -2.34 -0.10 0.00 0.05 0.00 0.00 55.36 53.30 2dja s GLN 54 Cb 0.05 -4.52 -0.05 0.00 1.10 0.00 0.00 33.01 29.59 2dja s GLN 54 CO 0.11 -1.38 0.15 0.14 -0.55 0.00 0.00 175.29 173.76 2dja s VAL 55 N 0.61 5.40 -0.68 1.34 -7.23 -1.26 -0.30 120.40 118.27 2dja s VAL 55 Ca 0.21 0.23 -0.11 0.00 -1.81 0.00 0.00 61.98 60.50 2dja s VAL 55 Cb -0.09 -3.49 0.18 0.00 0.56 0.00 0.00 36.38 33.54 2dja s VAL 55 CO -0.09 0.43 0.57 0.00 -0.31 0.00 0.00 175.10 175.70 2dja s ALA 56 N 0.41 3.78 0.16 1.32 0.00 -1.01 -4.89 121.76 121.53 2dja s ALA 56 Ca 0.09 -3.07 -0.31 0.00 0.00 0.00 0.00 51.96 48.67 2dja s ALA 56 Cb -0.11 -3.14 -0.17 0.00 0.00 0.00 0.00 23.12 19.69 2dja s ALA 56 CO -0.01 -2.13 0.73 -1.13 0.00 0.00 0.00 175.76 173.21 2dja n SER 57 N 4.18 -0.60 -0.03 0.00 3.41 -1.26 -4.03 113.62 115.29 2dja n SER 57 Ca 0.05 1.14 -0.15 0.00 -0.26 0.00 0.00 58.87 59.65 2dja n SER 57 Cb 0.43 -0.99 -0.11 0.00 -0.26 0.00 0.00 64.21 63.28 2dja n SER 57 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2dja h LEU 58 N 1.69 0.19-10.57 1.04 3.38 -1.94 -3.46 115.31 105.63 2dja h LEU 58 Ca -0.35 -0.74 -0.42 0.00 0.09 0.00 0.00 57.88 56.46 2dja h LEU 58 Cb 1.42 -0.06 0.19 0.00 0.09 0.00 0.00 40.66 42.30 2dja h LEU 58 CO 0.60 0.90 0.24 0.21 0.09 0.00 0.00 178.44 180.48 2dja s ASN 59 N -6.22 1.52 0.96 -0.43 3.84 -1.26 -5.01 114.94 108.34 2dja s ASN 59 Ca -0.16 0.42 -0.14 0.00 0.21 0.00 0.00 52.86 53.19 2dja s ASN 59 Cb 0.01 -0.52 0.11 0.00 -0.55 0.00 0.00 41.25 40.30 2dja s ASN 59 CO 0.73 -3.73 0.06 0.47 -2.79 0.00 0.00 177.10 171.84 2dja n ASP 60 N -4.46 -2.79 -3.64 -4.21 9.92 -1.26 -5.01 116.55 105.09 2dja n ASP 60 Ca 0.15 -0.27 -0.11 0.00 -0.53 0.00 0.00 54.79 54.03 2dja n ASP 60 Cb 0.60 -0.73 0.04 0.00 -0.64 0.00 0.00 41.12 40.38 2dja n ASP 60 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2dja n ARG 61 N -0.95 0.72 -3.19 -1.24 1.74 -1.26 -4.57 116.66 107.91 2dja n ARG 61 Ca 0.04 -1.74 -0.15 0.00 -0.77 0.00 0.00 57.85 55.22 2dja n ARG 61 Cb 0.39 -0.16 0.06 0.00 -1.02 0.00 0.00 32.46 31.72 2dja n ARG 61 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2dja n PHE 62 N -1.77 -1.90 -3.57 -1.55 7.35 -1.26 -2.77 117.46 111.99 2dja n PHE 62 Ca 0.09 0.71 -0.26 0.00 -0.76 0.00 0.00 57.45 57.24 2dja n PHE 62 Cb 0.34 -4.04 -0.05 0.00 0.35 0.00 0.00 39.48 36.08 2dja n PHE 62 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 2dja n GLU 63 N -3.57 -1.34 -3.55 -4.13 2.13 -1.26 -1.03 120.64 107.88 2dja n GLU 63 Ca -0.08 0.09 -0.18 0.00 0.66 0.00 0.00 57.16 57.65 2dja n GLU 63 Cb 0.57 -4.04 -0.04 0.00 0.27 0.00 0.00 31.44 28.21 2dja n GLU 63 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2dja n LYS 64 N -3.16 -0.88 -1.63 5.31 -0.00 -1.11 -4.73 118.16 111.95 2dja n LYS 64 Ca 0.07 -0.02 -0.43 0.00 -0.00 0.00 0.00 58.31 57.94 2dja n LYS 64 Cb 0.40 -1.59 -0.00 0.00 -0.00 0.00 0.00 35.03 33.85 2dja n LYS 64 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2dja n LEU 65 N -2.91 2.60 -3.70 -5.58 7.99 -0.20 -4.97 117.00 110.23 2dja n LEU 65 Ca -0.14 1.12 -0.29 0.00 -0.01 0.00 0.00 56.01 56.69 2dja n LEU 65 Cb 0.34 -1.37 -0.13 0.00 -0.11 0.00 0.00 43.42 42.16 2dja n LEU 65 CO 0.42 -1.21 -0.25 -1.59 -1.51 0.00 0.00 177.39 173.26 2dja s LYS 66 N -1.84 1.29 0.00 3.23 -2.85 -1.26 -5.02 119.74 113.28 2dja s LYS 66 Ca 0.60 -2.03 0.00 0.00 -1.00 0.00 0.00 55.97 53.54 2dja s LYS 66 Cb -0.60 -2.32 0.00 0.00 -2.06 0.00 0.00 37.83 32.85 2dja s LYS 66 CO 0.59 -1.17 0.98 0.94 0.10 0.00 0.00 175.35 176.79 2dja n GLN 67 N 3.50 0.00 -2.02 1.78 -0.06 -1.26 -4.74 117.38 114.58 2dja n GLN 67 Ca 0.09 0.77 -0.05 0.00 -2.00 0.00 0.00 57.00 55.82 2dja n GLN 67 Cb 0.35 -1.48 -0.01 0.00 -4.06 0.00 0.00 30.24 25.04 2dja n GLN 67 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 2dja n THR 68 N -2.52 -0.16 -1.19 1.69 -2.24 -1.26 -4.64 114.28 103.96 2dja n THR 68 Ca 0.00 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.39 2dja n THR 68 Cb 0.00 -0.63 -0.12 0.00 -2.10 0.00 0.00 70.33 67.48 2dja n THR 68 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2dja n LEU 69 N -2.18 0.36 -4.67 3.22 4.77 -1.26 -4.84 117.00 112.39 2dja n LEU 69 Ca -0.06 0.27 -0.30 0.00 -0.03 0.00 0.00 56.01 55.90 2dja n LEU 69 Cb 0.41 -0.76 0.16 0.00 -2.33 0.00 0.00 43.42 40.90 2dja n LEU 69 CO 0.07 -0.61 0.65 -1.61 -1.33 0.00 0.00 177.39 174.55 2dja s GLU 70 N 6.78 0.90 -0.61 3.23 8.01 -1.26 -4.96 118.70 130.78 2dja s GLU 70 Ca 1.10 1.04 -0.19 0.00 0.01 0.00 0.00 54.97 56.93 2dja s GLU 70 Cb -1.11 -1.75 0.11 0.00 -4.31 0.00 0.00 34.13 27.07 2dja s GLU 70 CO 0.45 -2.55 0.73 0.00 0.01 0.00 0.00 175.26 173.90 2dja s MET 71 N -4.77 3.09 0.22 1.61 0.23 -1.26 -5.03 119.30 113.38 2dja s MET 71 Ca 0.65 -1.37 -0.31 0.00 -1.03 0.00 0.00 55.69 53.63 2dja s MET 71 Cb -0.20 -4.30 -0.11 0.00 -1.53 0.00 0.00 34.83 28.69 2dja s MET 71 CO 0.59 -1.55 1.59 1.21 -2.03 0.00 0.00 175.02 174.83 2dja s ASN 72 N 3.58 6.49 -0.34 -1.18 2.47 -1.26 -4.98 114.94 119.73 2dja s ASN 72 Ca 0.13 2.77 -0.11 0.00 0.42 0.00 0.00 52.86 56.06 2dja s ASN 72 Cb -0.23 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 36.96 2dja s ASN 72 CO 0.05 -0.86 0.19 -0.76 -3.72 0.00 0.00 177.10 172.00 2dja s LEU 73 N 0.53 4.40 -0.42 3.21 1.43 -1.26 -4.97 118.68 121.60 2dja s LEU 73 Ca 0.68 -0.64 -0.02 0.00 -1.03 0.00 0.00 54.13 53.12 2dja s LEU 73 Cb -0.46 -2.04 0.25 0.00 0.03 0.00 0.00 46.19 43.97 2dja s LEU 73 CO 0.37 -0.27 2.12 0.35 0.23 0.00 0.00 176.35 179.16 2dja n THR 74 N 5.02 3.05 -4.36 5.49 -2.24 -1.26 -4.90 114.28 115.08 2dja n THR 74 Ca -0.13 -2.16 -0.26 0.00 -2.27 0.00 0.00 64.05 59.23 2dja n THR 74 Cb 0.48 -1.33 -0.12 0.00 -2.10 0.00 0.00 70.33 67.26 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 -0.26 3.03 -0.02 3.42 2.47 -1.26 -5.14 114.94 117.18 2dja s ASN 75 Ca 0.42 -0.78 -0.28 0.00 0.42 0.00 0.00 52.86 52.64 2dja s ASN 75 Cb 0.32 -0.20 0.09 0.00 -1.45 0.00 0.00 41.25 40.02 2dja s ASN 75 CO -0.04 0.10 0.79 -1.48 -3.72 0.00 0.00 177.10 172.74 2dja s LEU 76 N -2.26 -0.50 -0.02 3.21 0.05 -1.26 -5.17 118.68 112.73 2dja s LEU 76 Ca 0.14 0.31 0.01 0.00 0.05 0.00 0.00 54.13 54.63 2dja s LEU 76 Cb -0.09 2.27 0.02 0.00 -2.05 0.00 0.00 46.19 46.34 2dja s LEU 76 CO 0.07 -0.63 -0.01 -0.69 -0.55 0.00 0.00 176.35 174.54 2dja s VAL 77 N -2.21 0.19 -0.21 1.48 1.01 -1.26 -5.12 120.40 114.28 2dja s VAL 77 Ca -0.02 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 2dja s VAL 77 Cb -0.01 -0.25 0.08 0.00 0.00 0.00 0.00 36.38 36.20 2dja s VAL 77 CO -0.02 0.12 0.13 -0.75 0.00 0.00 0.00 175.10 174.58 2dja s LYS 78 N 0.69 0.13 0.20 2.72 2.36 -1.26 -5.13 119.74 119.45 2dja s LYS 78 Ca -0.07 -0.18 -0.18 0.00 -2.55 0.00 0.00 55.97 52.99 2dja s LYS 78 Cb -0.10 -1.51 0.03 0.00 -1.05 0.00 0.00 37.83 35.20 2dja s LYS 78 CO -0.01 -0.79 0.54 -1.12 1.55 0.00 0.00 175.35 175.53 2dja s SER 79 N 2.16 -0.27 0.00 1.43 0.01 -1.26 -5.19 113.70 110.59 2dja s SER 79 Ca 0.05 -0.48 -0.19 0.00 1.31 0.00 0.00 55.95 56.64 2dja s SER 79 Cb -0.16 0.59 0.04 0.00 0.21 0.00 0.00 66.02 66.70 2dja s SER 79 CO -0.19 -1.08 0.42 -0.83 0.41 0.00 0.00 173.24 171.98 2dja s GLY 80 N -2.88 -0.29 -0.68 3.44 0.00 -1.26 -5.10 107.32 100.56 2dja s GLY 80 Ca 0.09 0.51 -0.26 0.00 0.00 0.00 0.00 44.72 45.06 2dja s GLY 80 CO -0.02 0.25 1.89 2.56 0.00 0.00 0.00 173.10 177.77 2dja s PRO 81 N -1.79 2.60 -0.12 2.90 0.04 -1.26 -4.83 135.00 132.54 2dja s PRO 81 Ca -0.10 0.42 -0.14 0.00 0.04 0.00 0.00 61.00 61.22 2dja s PRO 81 Cb -0.02 -4.54 -0.12 0.00 0.04 0.00 0.00 34.50 29.85 2dja s PRO 81 CO 0.03 -2.88 0.35 0.77 0.04 0.00 0.00 177.00 175.30 2dja h SER 82 N 14.20 0.00 -4.19 6.66 0.02 -2.07 -3.46 113.55 124.70 2dja h SER 82 Ca -0.18 -0.47 -0.49 0.00 -0.84 0.00 0.00 61.79 59.82 2dja h SER 82 Cb 1.13 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 63.38 2dja h SER 82 CO 1.22 0.76 -0.81 -0.94 -1.14 0.00 0.00 176.83 175.91 2dja s SER 83 N -5.89 1.65 0.00 3.07 1.04 -1.26 -5.37 113.70 106.94 2dja s SER 83 Ca -0.10 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.08 2dja s SER 83 Cb -0.01 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.91 2dja s SER 83 CO 0.33 0.17 0.00 0.61 0.98 0.00 0.00 173.24 175.33