#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 -0.19 -0.15 1.61 0.01 -1.26 -5.09 113.70 108.63 2dja s SER 2 Ca 0.00 -0.42 -0.12 0.00 1.31 0.00 0.00 55.95 56.72 2dja s SER 2 Cb 0.00 0.48 -0.08 0.00 0.21 0.00 0.00 66.02 66.63 2dja s SER 2 CO 0.00 -0.89 -0.02 0.28 0.41 0.00 0.00 173.24 173.02 2dja h SER 3 N 2.37 0.00 -3.51 2.44 0.02 -2.16 -3.51 113.55 109.21 2dja h SER 3 Ca -0.33 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2dja h SER 3 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2dja h SER 3 CO 0.46 0.92 -0.31 0.61 -1.14 0.00 0.00 176.83 177.37 2dja n GLY 4 N 1.59 -3.93 3.80 -3.77 0.00 -1.26 -5.12 105.19 96.50 2dja n GLY 4 Ca -0.13 -0.46 -0.04 0.00 0.00 0.00 0.00 46.02 45.39 2dja n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dja s SER 5 N -0.18 -0.11 0.15 1.61 1.04 -1.26 -5.19 113.70 109.76 2dja s SER 5 Ca 0.00 -0.56 -0.20 0.00 0.48 0.00 0.00 55.95 55.67 2dja s SER 5 Cb 0.00 0.54 0.06 0.00 0.10 0.00 0.00 66.02 66.71 2dja s SER 5 CO 0.00 -1.02 0.53 -0.44 0.98 0.00 0.00 173.24 173.29 2dja s SER 6 N -3.09 -0.44 0.00 7.02 0.01 -1.26 -5.11 113.70 110.84 2dja s SER 6 Ca 0.15 -0.14 0.00 0.00 1.31 0.00 0.00 55.95 57.27 2dja s SER 6 Cb -0.02 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.77 2dja s SER 6 CO 0.04 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.36 2dja n GLY 7 N -0.33 -1.27 3.35 3.44 0.00 -1.26 -5.01 105.19 104.11 2dja n GLY 7 Ca -0.16 0.48 -0.26 0.00 0.00 0.00 0.00 46.02 46.08 2dja n GLY 7 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2dja n VAL 8 N 0.00 0.00 -2.91 1.61 0.24 -1.26 -4.82 118.33 111.19 2dja n VAL 8 Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.89 2dja n VAL 8 Cb 0.00 -0.30 -0.04 0.00 -1.47 0.00 0.00 33.84 32.03 2dja n VAL 8 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2dja s GLU 9 N -4.90 4.50 0.79 7.34 -1.05 -1.26 -5.05 118.70 119.07 2dja s GLU 9 Ca 0.50 1.11 -0.11 0.00 -0.15 0.00 0.00 54.97 56.33 2dja s GLU 9 Cb -0.29 -3.43 0.07 0.00 -0.44 0.00 0.00 34.13 30.03 2dja s GLU 9 CO 0.62 0.07 1.09 -1.25 0.95 0.00 0.00 175.26 176.74 2dja s PRO 10 N 0.67 2.13 -0.07 -4.83 0.04 -1.26 -5.06 135.00 126.63 2dja s PRO 10 Ca 0.43 1.13 0.02 0.00 0.04 0.00 0.00 61.00 62.62 2dja s PRO 10 Cb -0.20 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 2dja s PRO 10 CO 0.23 -1.72 -0.11 0.54 0.04 0.00 0.00 177.00 175.98 2dja s VAL 11 N -2.91 3.32 0.58 -0.36 0.11 -1.26 -5.11 120.40 114.77 2dja s VAL 11 Ca 0.61 -0.62 -0.18 0.00 -2.93 0.00 0.00 61.98 58.87 2dja s VAL 11 Cb -0.17 -2.34 -0.04 0.00 -1.53 0.00 0.00 36.38 32.30 2dja s VAL 11 CO 0.56 0.58 1.12 -2.16 -3.33 0.00 0.00 175.10 171.88 2dja s PRO 12 N -0.60 3.17 -0.18 1.54 0.04 -1.26 -5.06 135.00 132.64 2dja s PRO 12 Ca 0.09 1.54 -0.09 0.00 0.04 0.00 0.00 61.00 62.57 2dja s PRO 12 Cb -0.11 -1.99 0.07 0.00 0.04 0.00 0.00 34.50 32.51 2dja s PRO 12 CO 0.01 -0.98 0.43 -0.51 0.04 0.00 0.00 177.00 175.99 2dja s ASP 13 N -2.05 -0.48 0.08 6.66 1.01 -1.26 -5.17 116.67 115.48 2dja s ASP 13 Ca 0.71 0.96 -0.16 0.00 0.71 0.00 0.00 52.55 54.76 2dja s ASP 13 Cb -0.23 0.96 0.03 0.00 1.01 0.00 0.00 42.92 44.70 2dja s ASP 13 CO 0.32 -0.21 0.38 0.42 0.21 0.00 0.00 175.17 176.29 2dja s THR 14 N 1.74 0.07 -0.15 -1.27 -4.23 -1.26 -5.15 115.64 105.39 2dja s THR 14 Ca -0.08 -0.58 -0.19 0.00 -1.18 0.00 0.00 61.69 59.66 2dja s THR 14 Cb -0.09 -1.07 -0.04 0.00 1.34 0.00 0.00 72.50 72.64 2dja s THR 14 CO -0.13 -0.32 0.53 -1.38 -0.54 0.00 0.00 174.62 172.78 2dja s HIS 15 N -3.17 3.45 -0.12 3.99 -3.43 -1.26 -5.06 115.29 109.68 2dja s HIS 15 Ca -0.01 0.88 -0.09 0.00 -0.80 0.00 0.00 55.06 55.05 2dja s HIS 15 Cb 0.01 -2.65 -0.04 0.00 -1.43 0.00 0.00 32.58 28.47 2dja s HIS 15 CO -0.07 0.02 0.17 -0.51 -2.00 0.00 0.00 174.74 172.35 2dja s LEU 16 N 1.16 4.36 -0.61 5.38 1.02 -1.26 -5.06 118.68 123.66 2dja s LEU 16 Ca 0.27 0.48 -0.08 0.00 0.02 0.00 0.00 54.13 54.82 2dja s LEU 16 Cb -0.16 -2.14 0.16 0.00 0.02 0.00 0.00 46.19 44.08 2dja s LEU 16 CO 0.11 0.35 0.48 -0.13 0.02 0.00 0.00 176.35 177.17 2dja s ARG 17 N -0.73 2.76 0.22 1.70 0.52 -1.26 -5.07 118.95 117.10 2dja s ARG 17 Ca 0.15 -2.23 0.06 0.00 -0.52 0.00 0.00 55.73 53.19 2dja s ARG 17 Cb -0.12 -3.96 -0.04 0.00 0.52 0.00 0.00 34.95 31.35 2dja s ARG 17 CO 0.04 -1.21 0.21 0.20 0.02 0.00 0.00 175.30 174.56 2dja s GLY 18 N 1.77 1.47 -0.06 -3.53 0.00 -1.26 -5.05 107.32 100.66 2dja s GLY 18 Ca 0.13 -1.32 -0.26 0.00 0.00 0.00 0.00 44.72 43.27 2dja s GLY 18 CO -0.04 -1.35 1.08 -2.22 0.00 0.00 0.00 173.10 170.57 2dja h ILE 19 N 1.59 1.54 -1.55 0.90 2.04 -1.97 -3.46 117.51 116.59 2dja h ILE 19 Ca -0.49 -1.66 -0.13 0.00 1.00 0.00 0.00 64.86 63.58 2dja h ILE 19 Cb 1.23 2.64 0.08 0.00 -0.74 0.00 0.00 36.82 40.02 2dja h ILE 19 CO 0.62 0.44 -0.06 0.35 0.00 0.00 0.00 178.15 179.49 2dja n THR 20 N -4.71 0.00 -2.47 -0.27 -2.24 -1.26 -4.81 114.28 98.53 2dja n THR 20 Ca -0.09 0.00 -0.37 0.00 -2.27 0.00 0.00 64.05 61.32 2dja n THR 20 Cb 0.37 -0.36 -0.03 0.00 -2.10 0.00 0.00 70.33 68.21 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 2.62 -0.77 -2.15 0.00 3.38 -1.91 -2.13 115.31 114.35 2dja h LEU 22 Ca -0.48 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.55 2dja h LEU 22 Cb 1.22 0.25 -0.00 0.00 0.09 0.00 0.00 40.66 42.22 2dja h LEU 22 CO 0.63 -0.36 0.01 0.44 0.09 0.00 0.00 178.44 179.24 2dja h ASP 23 N -0.54 0.00 -3.29 -0.43 5.19 -1.98 -3.37 116.42 112.00 2dja h ASP 23 Ca -0.03 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 55.82 2dja h ASP 23 Cb 0.47 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 39.59 2dja h ASP 23 CO -0.04 0.00 -0.77 -1.00 -3.12 0.00 0.00 179.24 174.31 2dja s HIS 24 N -4.93 1.46 -1.34 4.55 3.76 -0.85 -4.98 115.29 112.97 2dja s HIS 24 Ca -0.05 -1.29 0.01 0.00 -0.15 0.00 0.00 55.06 53.58 2dja s HIS 24 Cb 0.16 -1.34 0.05 0.00 1.11 0.00 0.00 32.58 32.56 2dja s HIS 24 CO 0.63 -0.73 0.74 -0.85 -0.85 0.00 0.00 174.74 173.69 2dja n GLU 25 N 4.93 1.19 -0.01 1.40 0.00 -0.92 -0.61 120.64 126.62 2dja n GLU 25 Ca -0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 57.16 56.90 2dja n GLU 25 Cb 0.45 -1.36 -0.01 0.00 0.00 0.00 0.00 31.44 30.52 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 -0.11 3.85 -4.73 -1.84 3.02 -1.26 -4.75 115.26 109.43 2dja n ASN 26 Ca 0.02 -0.01 -0.40 0.00 -0.03 0.00 0.00 54.58 54.15 2dja n ASN 26 Cb 0.21 -0.02 -0.04 0.00 -0.61 0.00 0.00 39.78 39.31 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 -2.04 4.51 -0.42 3.52 0.41 -1.22 -4.92 118.70 118.54 2dja s GLU 27 Ca -0.03 1.12 -0.23 0.00 -0.41 0.00 0.00 54.97 55.42 2dja s GLU 27 Cb 0.01 -3.41 0.02 0.00 -1.78 0.00 0.00 34.13 28.97 2dja s GLU 27 CO 0.05 0.15 0.79 0.15 -0.49 0.00 0.00 175.26 175.91 2dja s LYS 28 N 0.39 3.54 -0.43 1.61 -0.14 -1.26 -1.48 119.74 121.97 2dja s LYS 28 Ca 0.42 0.05 -0.41 0.00 -1.36 0.00 0.00 55.97 54.67 2dja s LYS 28 Cb -0.20 -3.89 -0.18 0.00 -1.68 0.00 0.00 37.83 31.88 2dja s LYS 28 CO 0.23 -1.02 1.40 1.33 -0.76 0.00 0.00 175.35 176.53 2dja n VAL 29 N 6.02 0.00 -0.69 3.17 0.24 -1.26 -4.71 118.33 121.10 2dja n VAL 29 Ca 0.03 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.34 2dja n VAL 29 Cb 0.48 -0.43 0.02 0.00 -1.47 0.00 0.00 33.84 32.44 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 3.47 1.19 -4.08 -1.34 6.94 -0.88 -4.91 115.26 115.64 2dja n ASN 30 Ca 0.27 -1.83 -0.12 0.00 -0.02 0.00 0.00 54.58 52.88 2dja n ASN 30 Cb -0.05 -0.08 -0.08 0.00 -2.36 0.00 0.00 39.78 37.20 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 -0.84 1.34 -0.23 -3.83 -1.94 -0.33 -4.66 119.30 108.80 2dja s MET 31 Ca 0.05 -1.54 -0.03 0.00 -1.71 0.00 0.00 55.69 52.45 2dja s MET 31 Cb 0.04 0.33 0.10 0.00 2.01 0.00 0.00 34.83 37.31 2dja s MET 31 CO 0.00 -0.48 0.22 -0.47 -0.01 0.00 0.00 175.02 174.28 2dja s TYR 32 N -4.06 -0.22 0.14 -0.03 5.04 -1.26 -1.25 117.35 115.71 2dja s TYR 32 Ca 0.34 -0.05 -0.31 0.00 -2.44 0.00 0.00 57.07 54.61 2dja s TYR 32 Cb 0.04 -0.48 -0.11 0.00 0.35 0.00 0.00 41.96 41.77 2dja s TYR 32 CO 0.12 -0.71 1.76 0.00 -1.34 0.00 0.00 175.55 175.39 2dja h VAL 34 N 4.42 0.56 -0.49 0.00 2.07 -1.78 0.58 116.25 121.60 2dja h VAL 34 Ca -0.45 -1.11 0.09 0.00 0.82 0.00 0.00 66.70 66.06 2dja h VAL 34 Cb 1.21 0.98 -0.08 0.00 -1.52 0.00 0.00 31.29 31.88 2dja h VAL 34 CO 0.95 0.16 0.04 0.28 0.02 0.00 0.00 177.57 179.02 2dja h SER 35 N -0.97 -0.12 1.46 0.57 0.02 -1.92 -0.52 113.55 112.07 2dja h SER 35 Ca -0.02 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2dja h SER 35 Cb 0.43 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2dja h SER 35 CO 0.04 -0.03 -0.31 0.44 -1.14 0.00 0.00 176.83 175.83 2dja h ASP 36 N 0.16 0.00 -6.24 3.07 3.32 -1.94 -3.48 116.42 111.32 2dja h ASP 36 Ca 0.25 -0.04 -0.45 0.00 0.02 0.00 0.00 57.03 56.81 2dja h ASP 36 Cb 0.36 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.93 2dja h ASP 36 CO -0.38 0.02 -0.86 -0.67 -1.72 0.00 0.00 179.24 175.64 2dja n ASP 37 N -2.62 -1.07 -4.05 6.45 -0.08 0.20 -4.98 116.55 110.39 2dja n ASP 37 Ca 0.04 -0.90 -0.08 0.00 -1.51 0.00 0.00 54.79 52.34 2dja n ASP 37 Cb 0.49 -3.67 -0.09 0.00 2.34 0.00 0.00 41.12 40.19 2dja n ASP 37 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 2dja s GLN 38 N -6.17 0.71 0.03 -0.67 0.74 -0.83 -4.96 119.66 108.50 2dja s GLN 38 Ca 0.03 -1.20 -0.30 0.00 0.05 0.00 0.00 55.36 53.93 2dja s GLN 38 Cb -0.01 0.24 -0.04 0.00 1.10 0.00 0.00 33.01 34.31 2dja s GLN 38 CO 0.84 -0.17 0.99 -0.51 -0.55 0.00 0.00 175.29 175.89 2dja s LEU 39 N -2.93 4.40 0.19 3.68 1.43 -1.26 -0.69 118.68 123.51 2dja s LEU 39 Ca 0.09 1.71 0.02 0.00 -1.03 0.00 0.00 54.13 54.91 2dja s LEU 39 Cb 0.07 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.67 2dja s LEU 39 CO -0.08 -0.23 0.03 0.27 0.23 0.00 0.00 176.35 176.57 2dja s ILE 40 N 0.78 0.62 0.35 -0.59 -4.36 -0.38 -4.91 121.20 112.71 2dja s ILE 40 Ca 0.51 -1.98 0.03 0.00 -0.26 0.00 0.00 60.65 58.95 2dja s ILE 40 Cb -0.22 -2.26 0.03 0.00 1.25 0.00 0.00 42.46 41.26 2dja s ILE 40 CO 0.29 -0.34 0.24 0.00 0.24 0.00 0.00 174.94 175.37 2dja h ALA 42 N 0.74 -0.75 -0.30 0.00 0.00 -1.93 -2.95 119.26 114.07 2dja h ALA 42 Ca -0.23 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.62 2dja h ALA 42 Cb 0.81 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 18.97 2dja h ALA 42 CO 0.36 -0.95 -0.16 -0.07 0.00 0.00 0.00 179.25 178.43 2dja h LEU 43 N -0.73 -0.53 -1.26 0.00 3.38 -1.98 0.25 115.31 114.44 2dja h LEU 43 Ca -0.04 0.12 0.24 0.00 0.09 0.00 0.00 57.88 58.30 2dja h LEU 43 Cb 0.63 0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 2dja h LEU 43 CO -0.01 -0.19 1.01 0.00 0.09 0.00 0.00 178.44 179.34 2dja n LYS 45 N -3.32 0.55 -0.15 0.00 0.00 0.31 -2.07 118.16 113.48 2dja n LYS 45 Ca 0.18 0.24 -0.05 0.00 0.00 0.00 0.00 58.31 58.69 2dja n LYS 45 Cb 1.28 -1.43 -0.04 0.00 0.00 0.00 0.00 35.03 34.83 2dja n LYS 45 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2dja h LEU 46 N -0.95 -0.86 0.00 3.14 4.07 0.88 -3.32 115.31 118.27 2dja h LEU 46 Ca -0.57 0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.52 2dja h LEU 46 Cb 1.49 0.38 0.00 0.00 1.08 0.00 0.00 40.66 43.60 2dja h LEU 46 CO -0.34 -0.11 -0.63 1.33 -1.08 0.00 0.00 178.44 177.61 2dja n VAL 47 N -3.90 0.00 -0.68 1.22 0.24 -0.79 -4.84 118.33 109.59 2dja n VAL 47 Ca 0.00 -0.12 -0.29 0.00 -2.04 0.00 0.00 64.34 61.90 2dja n VAL 47 Cb 0.11 0.58 0.14 0.00 -1.47 0.00 0.00 33.84 33.21 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 1.81 -2.57 0.38 7.63 0.00 0.25 -4.68 105.19 108.02 2dja n GLY 48 Ca 0.00 -0.69 0.20 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.10 0.00 -1.76 1.61 2.47 -1.88 -1.31 114.38 111.41 2dja h ARG 49 Ca -0.43 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.21 2dja h ARG 49 Cb 1.19 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.47 2dja h ARG 49 CO 0.29 0.00 0.11 0.72 0.56 0.00 0.00 179.97 181.65 2dja n HIS 50 N -4.00 0.41 0.44 3.04 8.25 -0.88 -4.49 115.22 117.99 2dja n HIS 50 Ca 0.08 -1.19 -0.19 0.00 -0.26 0.00 0.00 57.72 56.16 2dja n HIS 50 Cb 0.59 -0.59 -0.09 0.00 1.12 0.00 0.00 29.99 31.02 2dja n HIS 50 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2dja h ARG 51 N 1.00 -1.15 -1.22 -0.41 2.43 -1.33 -3.20 114.38 110.51 2dja h ARG 51 Ca 0.08 0.08 -0.66 0.00 -0.81 0.00 0.00 59.98 58.67 2dja h ARG 51 Cb 1.01 0.26 -0.34 0.00 -0.42 0.00 0.00 29.97 30.48 2dja h ARG 51 CO 0.20 -0.77 0.29 -0.25 -1.51 0.00 0.00 179.97 177.93 2dja n ASP 52 N -5.39 6.60 -4.97 -3.80 8.00 -1.26 -4.91 116.55 110.81 2dja n ASP 52 Ca -0.15 -3.78 -0.19 0.00 0.71 0.00 0.00 54.79 51.38 2dja n ASP 52 Cb 0.48 -0.77 0.04 0.00 -0.02 0.00 0.00 41.12 40.85 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 -3.79 2.45 -1.15 1.24 3.76 -1.21 -5.04 115.29 111.55 2dja s HIS 53 Ca 0.57 -0.35 -0.11 0.00 -0.15 0.00 0.00 55.06 55.02 2dja s HIS 53 Cb 0.46 -2.51 0.24 0.00 1.11 0.00 0.00 32.58 31.88 2dja s HIS 53 CO -0.11 -0.80 1.24 -1.14 -0.85 0.00 0.00 174.74 173.08 2dja s GLN 54 N -4.59 4.17 0.13 1.40 0.74 -1.26 -5.02 119.66 115.22 2dja s GLN 54 Ca 0.58 -2.99 -0.05 0.00 0.05 0.00 0.00 55.36 52.95 2dja s GLN 54 Cb -0.09 -4.75 -0.05 0.00 1.10 0.00 0.00 33.01 29.22 2dja s GLN 54 CO 0.37 -1.44 0.36 0.14 -0.55 0.00 0.00 175.29 174.17 2dja s VAL 55 N -0.21 5.18 0.53 1.34 -7.23 -1.26 -2.38 120.40 116.37 2dja s VAL 55 Ca 0.35 0.05 0.08 0.00 -1.81 0.00 0.00 61.98 60.66 2dja s VAL 55 Cb -0.07 -3.62 0.05 0.00 0.56 0.00 0.00 36.38 33.30 2dja s VAL 55 CO -0.05 0.08 0.60 0.00 -0.31 0.00 0.00 175.10 175.42 2dja s ALA 56 N -1.61 4.53 -0.20 1.32 0.00 -1.24 -4.99 121.76 119.57 2dja s ALA 56 Ca 0.39 -1.79 0.15 0.00 0.00 0.00 0.00 51.96 50.71 2dja s ALA 56 Cb -0.12 -1.19 0.46 0.00 0.00 0.00 0.00 23.12 22.27 2dja s ALA 56 CO 0.24 -0.59 1.35 0.43 0.00 0.00 0.00 175.76 177.18 2dja n SER 57 N -1.97 2.95 -2.99 0.00 7.64 -1.26 -4.28 113.62 113.72 2dja n SER 57 Ca 0.08 -3.31 -0.19 0.00 1.01 0.00 0.00 58.87 56.46 2dja n SER 57 Cb 0.62 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 2dja n SER 57 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2dja n LEU 58 N -0.96 -1.54 -4.58 -3.43 4.77 -1.26 -4.81 117.00 105.19 2dja n LEU 58 Ca 0.23 -0.16 -0.41 0.00 -0.03 0.00 0.00 56.01 55.64 2dja n LEU 58 Cb 0.85 -2.23 -0.03 0.00 -2.33 0.00 0.00 43.42 39.69 2dja n LEU 58 CO 0.11 0.07 1.87 0.21 -1.33 0.00 0.00 177.39 178.32 2dja s ASN 59 N -2.47 5.17 -0.19 -1.43 2.47 -1.26 -4.93 114.94 112.29 2dja s ASN 59 Ca 0.24 1.55 -0.02 0.00 0.42 0.00 0.00 52.86 55.06 2dja s ASN 59 Cb -0.13 -2.51 0.06 0.00 -1.45 0.00 0.00 41.25 37.22 2dja s ASN 59 CO 0.30 -2.24 0.00 -1.81 -3.72 0.00 0.00 177.10 169.63 2dja s ASP 60 N 9.32 3.05 -1.62 -4.21 1.11 -1.26 -4.84 116.67 118.22 2dja s ASP 60 Ca 0.97 -0.85 -0.10 0.00 0.18 0.00 0.00 52.55 52.76 2dja s ASP 60 Cb -0.27 -0.77 0.09 0.00 1.07 0.00 0.00 42.92 43.04 2dja s ASP 60 CO 0.32 -0.27 0.42 0.54 1.18 0.00 0.00 175.17 177.36 2dja n ARG 61 N 4.94 -2.04 -3.53 8.23 1.74 -1.26 -4.90 116.66 119.84 2dja n ARG 61 Ca -0.10 0.25 -0.27 0.00 -0.77 0.00 0.00 57.85 56.96 2dja n ARG 61 Cb 0.47 -4.43 -0.10 0.00 -1.02 0.00 0.00 32.46 27.37 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 -4.38 0.35 -1.07 -1.55 7.35 -1.26 -5.10 117.46 111.80 2dja n PHE 62 Ca -0.13 -3.61 -0.42 0.00 -0.76 0.00 0.00 57.45 52.53 2dja n PHE 62 Cb 0.59 -0.02 -0.06 0.00 0.35 0.00 0.00 39.48 40.35 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 2.52 0.00 -1.32 -4.13 2.13 -1.26 -4.66 120.64 113.92 2dja n GLU 63 Ca 0.27 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.68 2dja n GLU 63 Cb 0.44 -1.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.10 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 1.69 1.59 -5.13 5.31 2.85 -1.26 -4.87 118.16 118.34 2dja n LYS 64 Ca 0.16 -1.98 -0.31 0.00 -1.05 0.00 0.00 58.31 55.13 2dja n LYS 64 Cb 0.01 -3.05 -0.15 0.00 -0.65 0.00 0.00 35.03 31.19 2dja n LYS 64 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 2dja s LEU 65 N 2.60 2.28 -0.03 -5.58 2.34 -1.26 -5.13 118.68 113.90 2dja s LEU 65 Ca 0.58 -0.40 -0.16 0.00 0.06 0.00 0.00 54.13 54.22 2dja s LEU 65 Cb 0.12 -1.41 0.03 0.00 -0.56 0.00 0.00 46.19 44.37 2dja s LEU 65 CO 0.11 0.32 0.34 -0.54 -1.06 0.00 0.00 176.35 175.52 2dja s LYS 66 N -0.74 0.67 -0.12 1.48 -0.14 -1.26 -5.16 119.74 114.47 2dja s LYS 66 Ca 0.11 -0.09 -0.05 0.00 -1.36 0.00 0.00 55.97 54.57 2dja s LYS 66 Cb -0.10 0.30 0.06 0.00 -1.68 0.00 0.00 37.83 36.41 2dja s LYS 66 CO -0.00 -0.18 0.26 -0.65 -0.76 0.00 0.00 175.35 174.02 2dja s GLN 67 N -1.17 0.18 0.00 1.68 -0.21 -1.26 -5.03 119.66 113.85 2dja s GLN 67 Ca -0.12 0.66 0.00 0.00 0.02 0.00 0.00 55.36 55.92 2dja s GLN 67 Cb -0.05 -0.07 0.00 0.00 1.00 0.00 0.00 33.01 33.89 2dja s GLN 67 CO 0.04 -0.23 0.00 0.25 -2.12 0.00 0.00 175.29 173.24 2dja n THR 68 N 4.83 0.00 -3.75 -0.19 -2.24 -1.26 -5.09 114.28 106.58 2dja n THR 68 Ca -0.15 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.50 2dja n THR 68 Cb 0.51 -0.46 -0.10 0.00 -2.10 0.00 0.00 70.33 68.19 2dja n THR 68 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2dja s LEU 69 N -4.72 0.71 -0.70 3.22 1.43 -1.26 -5.11 118.68 112.26 2dja s LEU 69 Ca 0.00 0.43 0.04 0.00 -1.03 0.00 0.00 54.13 53.57 2dja s LEU 69 Cb 0.00 1.27 0.17 0.00 0.03 0.00 0.00 46.19 47.66 2dja s LEU 69 CO 0.00 -0.28 0.49 -0.70 0.23 0.00 0.00 176.35 176.09 2dja s GLU 70 N -0.54 2.48 -0.28 1.70 2.12 -1.26 -5.06 118.70 117.87 2dja s GLU 70 Ca -0.06 -3.24 -0.30 0.00 0.36 0.00 0.00 54.97 51.73 2dja s GLU 70 Cb -0.04 -3.47 -0.07 0.00 0.26 0.00 0.00 34.13 30.81 2dja s GLU 70 CO 0.02 -1.26 2.23 -0.12 -0.54 0.00 0.00 175.26 175.59 2dja n MET 71 N 2.18 1.62 -3.33 4.30 0.00 -1.26 -4.89 117.12 115.74 2dja n MET 71 Ca 0.18 0.43 0.03 0.00 -0.00 0.00 0.00 57.70 58.33 2dja n MET 71 Cb 0.35 -2.99 -0.03 0.00 0.00 0.00 0.00 33.22 30.55 2dja n MET 71 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 2dja s ASN 72 N 8.23 -0.90 -0.15 6.12 2.47 -1.26 -5.04 114.94 124.40 2dja s ASN 72 Ca 1.04 0.87 0.10 0.00 0.42 0.00 0.00 52.86 55.29 2dja s ASN 72 Cb -0.50 1.88 -0.16 0.00 -1.45 0.00 0.00 41.25 41.02 2dja s ASN 72 CO 0.39 -0.17 -0.00 0.00 -3.72 0.00 0.00 177.10 173.60 2dja n LEU 73 N 5.31 0.72 -3.20 3.21 -0.00 -1.26 -4.95 117.00 116.83 2dja n LEU 73 Ca -0.07 -0.02 -0.24 0.00 -0.00 0.00 0.00 56.01 55.67 2dja n LEU 73 Cb 0.52 0.11 -0.13 0.00 -0.00 0.00 0.00 43.42 43.92 2dja n LEU 73 CO -0.04 0.46 1.55 0.35 -0.00 0.00 0.00 177.39 179.72 2dja n THR 74 N -2.65 0.00 -3.60 1.47 -2.24 -1.26 -4.83 114.28 101.17 2dja n THR 74 Ca -0.25 -0.12 -0.11 0.00 -2.27 0.00 0.00 64.05 61.29 2dja n THR 74 Cb 0.94 -0.23 -0.11 0.00 -2.10 0.00 0.00 70.33 68.82 2dja n THR 74 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2dja s ASN 75 N 4.17 0.21 -0.30 3.42 4.22 -1.26 -5.11 114.94 120.28 2dja s ASN 75 Ca 0.96 0.61 -0.11 0.00 -2.14 0.00 0.00 52.86 52.18 2dja s ASN 75 Cb -0.79 0.96 0.18 0.00 1.28 0.00 0.00 41.25 42.88 2dja s ASN 75 CO 0.37 -0.25 1.02 -0.22 -2.04 0.00 0.00 177.10 175.98 2dja s LEU 76 N 2.50 -0.50 1.19 3.54 2.96 -1.26 -5.17 118.68 121.94 2dja s LEU 76 Ca 0.02 0.18 -0.18 0.00 -0.22 0.00 0.00 54.13 53.93 2dja s LEU 76 Cb -0.13 1.36 0.24 0.00 0.50 0.00 0.00 46.19 48.17 2dja s LEU 76 CO -0.11 -0.09 0.52 1.33 -1.32 0.00 0.00 176.35 176.67 2dja n VAL 77 N 5.31 0.00 -3.63 1.68 0.24 -1.26 -5.05 118.33 115.61 2dja n VAL 77 Ca 0.01 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.22 2dja n VAL 77 Cb 0.56 -0.71 -0.01 0.00 -1.47 0.00 0.00 33.84 32.21 2dja n VAL 77 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2dja s LYS 78 N -4.05 0.48 0.55 7.34 2.20 -1.26 -5.19 119.74 119.81 2dja s LYS 78 Ca 0.51 -0.26 0.04 0.00 -0.36 0.00 0.00 55.97 55.90 2dja s LYS 78 Cb -0.10 0.17 0.03 0.00 -1.51 0.00 0.00 37.83 36.42 2dja s LYS 78 CO 0.47 -0.22 0.30 -1.12 -0.36 0.00 0.00 175.35 174.42 2dja s SER 79 N -2.88 4.49 0.01 1.43 0.01 -1.26 -5.16 113.70 110.34 2dja s SER 79 Ca 0.13 -1.40 -0.01 0.00 1.31 0.00 0.00 55.95 55.99 2dja s SER 79 Cb 0.03 0.55 -0.01 0.00 0.21 0.00 0.00 66.02 66.80 2dja s SER 79 CO -0.03 -1.09 0.01 -0.83 0.41 0.00 0.00 173.24 171.71 2dja s GLY 80 N -4.19 0.11 0.02 3.44 0.00 -1.26 -5.17 107.32 100.27 2dja s GLY 80 Ca 0.24 -0.27 -0.00 0.00 0.00 0.00 0.00 44.72 44.69 2dja s GLY 80 CO 0.15 -0.32 0.01 -1.55 0.00 0.00 0.00 173.10 171.40 2dja n PRO 81 N 2.21 -1.06 -4.65 2.90 -0.04 -1.26 -5.10 135.00 128.01 2dja n PRO 81 Ca -0.19 -0.02 -0.30 0.00 -0.04 0.00 0.00 63.50 62.95 2dja n PRO 81 Cb 0.57 -0.02 -0.08 0.00 -0.04 0.00 0.00 33.50 33.93 2dja n PRO 81 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dja s SER 82 N -1.55 3.56 0.45 3.54 0.01 -1.26 -5.17 113.70 113.28 2dja s SER 82 Ca 0.01 -1.63 0.03 0.00 1.31 0.00 0.00 55.95 55.66 2dja s SER 82 Cb -0.00 0.43 -0.02 0.00 0.21 0.00 0.00 66.02 66.64 2dja s SER 82 CO 0.01 -0.85 0.06 -0.44 0.41 0.00 0.00 173.24 172.43 2dja s SER 83 N -3.75 3.46 0.00 2.44 0.01 -1.26 -5.38 113.70 109.22 2dja s SER 83 Ca 0.15 -1.63 0.17 0.00 1.31 0.00 0.00 55.95 55.96 2dja s SER 83 Cb 0.03 0.42 0.14 0.00 0.21 0.00 0.00 66.02 66.81 2dja s SER 83 CO 0.09 -0.85 1.04 0.61 0.41 0.00 0.00 173.24 174.54