#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 -0.20 -0.22 1.61 0.01 -1.26 -5.08 113.70 108.57 2dja s SER 2 Ca 0.00 -0.26 -0.10 0.00 1.31 0.00 0.00 55.95 56.89 2dja s SER 2 Cb 0.00 0.43 -0.09 0.00 0.21 0.00 0.00 66.02 66.57 2dja s SER 2 CO 0.00 -0.77 -0.27 -1.20 0.41 0.00 0.00 173.24 171.41 2dja n SER 3 N 0.06 1.55 0.00 2.44 7.64 -1.26 -5.14 113.62 118.90 2dja n SER 3 Ca -0.17 0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.96 2dja n SER 3 Cb 0.62 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2dja n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dja n GLY 4 N 1.68 2.29 2.85 0.23 0.00 -1.26 -5.09 105.19 105.90 2dja n GLY 4 Ca -0.42 -1.81 -0.13 0.00 0.00 0.00 0.00 46.02 43.65 2dja n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dja s SER 5 N 0.00 0.09 0.34 1.61 0.01 -1.26 -5.16 113.70 109.33 2dja s SER 5 Ca 0.00 0.00 -0.02 0.00 1.31 0.00 0.00 55.95 57.24 2dja s SER 5 Cb 0.00 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.20 2dja s SER 5 CO 0.00 -0.03 0.46 -0.94 0.41 0.00 0.00 173.24 173.14 2dja s SER 6 N 0.31 0.89 0.00 2.44 1.04 -1.26 -5.15 113.70 111.96 2dja s SER 6 Ca -0.03 -1.47 0.00 0.00 0.48 0.00 0.00 55.95 54.93 2dja s SER 6 Cb -0.04 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.73 2dja s SER 6 CO -0.01 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.55 2dja n GLY 7 N -0.55 0.15 3.58 7.32 0.00 -1.26 -5.16 105.19 109.27 2dja n GLY 7 Ca 0.01 0.64 -0.34 0.00 0.00 0.00 0.00 46.02 46.33 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 4.04 0.13 1.61 -7.23 -1.26 -5.12 120.40 112.57 2dja s VAL 8 Ca 0.00 -0.33 0.07 0.00 -1.81 0.00 0.00 61.98 59.91 2dja s VAL 8 Cb 0.00 -2.73 -0.04 0.00 0.56 0.00 0.00 36.38 34.17 2dja s VAL 8 CO 0.00 0.55 -0.07 -1.61 -0.31 0.00 0.00 175.10 173.66 2dja s GLU 9 N -0.24 2.21 0.47 4.82 0.41 -1.26 -5.11 118.70 120.00 2dja s GLU 9 Ca 0.05 -1.07 -0.22 0.00 -0.41 0.00 0.00 54.97 53.31 2dja s GLU 9 Cb -0.13 -2.31 -0.07 0.00 -1.78 0.00 0.00 34.13 29.84 2dja s GLU 9 CO 0.02 0.48 1.16 -1.25 -0.49 0.00 0.00 175.26 175.19 2dja s PRO 10 N -2.50 3.70 -0.04 0.39 0.04 -1.26 -4.97 135.00 130.36 2dja s PRO 10 Ca 0.24 1.75 -0.30 0.00 0.04 0.00 0.00 61.00 62.73 2dja s PRO 10 Cb -0.10 -2.35 -0.05 0.00 0.04 0.00 0.00 34.50 32.04 2dja s PRO 10 CO 0.15 -0.60 1.50 0.08 0.04 0.00 0.00 177.00 178.17 2dja s VAL 11 N -1.58 3.70 0.34 -0.36 1.01 -1.26 -5.01 120.40 117.24 2dja s VAL 11 Ca 0.65 0.97 -0.06 0.00 0.00 0.00 0.00 61.98 63.54 2dja s VAL 11 Cb -0.28 -3.62 0.08 0.00 0.00 0.00 0.00 36.38 32.56 2dja s VAL 11 CO 0.34 -0.05 0.30 -0.81 0.00 0.00 0.00 175.10 174.88 2dja n PRO 12 N 6.27 -1.61 -1.98 2.72 -0.04 -1.26 -4.86 135.00 134.25 2dja n PRO 12 Ca 0.15 -0.48 -0.33 0.00 -0.04 0.00 0.00 63.50 62.80 2dja n PRO 12 Cb 0.43 -0.45 -0.04 0.00 -0.04 0.00 0.00 33.50 33.40 2dja n PRO 12 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2dja s ASP 13 N -2.32 5.08 -0.21 3.54 2.15 -1.26 -4.86 116.67 118.79 2dja s ASP 13 Ca 0.20 0.02 -0.30 0.00 0.43 0.00 0.00 52.55 52.90 2dja s ASP 13 Cb -0.02 -2.54 0.15 0.00 -0.30 0.00 0.00 42.92 40.21 2dja s ASP 13 CO 0.15 -2.63 1.13 0.28 -0.17 0.00 0.00 175.17 173.92 2dja s THR 14 N 10.02 0.00 -0.30 1.71 -1.32 -1.26 -5.16 115.64 119.32 2dja s THR 14 Ca 0.72 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 61.11 2dja s THR 14 Cb -0.11 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 70.03 2dja s THR 14 CO 0.13 0.00 0.73 -1.38 -2.21 0.00 0.00 174.62 171.89 2dja s HIS 15 N -1.07 -1.22 -0.61 9.09 -3.43 -1.26 -5.11 115.29 111.68 2dja s HIS 15 Ca 0.02 1.86 -0.03 0.00 -0.80 0.00 0.00 55.06 56.11 2dja s HIS 15 Cb -0.01 0.64 0.16 0.00 -1.43 0.00 0.00 32.58 31.94 2dja s HIS 15 CO -0.02 -0.63 0.42 -0.48 -2.00 0.00 0.00 174.74 172.03 2dja s LEU 16 N 2.80 5.23 -0.30 5.38 2.34 -1.26 -4.90 118.68 127.97 2dja s LEU 16 Ca 0.01 -2.79 0.10 0.00 0.06 0.00 0.00 54.13 51.51 2dja s LEU 16 Cb -0.11 -1.85 0.74 0.00 -0.56 0.00 0.00 46.19 44.41 2dja s LEU 16 CO -0.19 -0.38 1.77 -2.11 -1.06 0.00 0.00 176.35 174.38 2dja n ARG 17 N 3.57 3.86 -2.52 1.48 1.85 -1.26 -4.41 116.66 119.23 2dja n ARG 17 Ca 0.07 -2.99 -0.04 0.00 -1.00 0.00 0.00 57.85 53.89 2dja n ARG 17 Cb 0.38 -2.21 0.04 0.00 -1.05 0.00 0.00 32.46 29.62 2dja n ARG 17 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2dja n GLY 18 N 0.00 0.08 3.02 2.89 0.00 -1.26 -5.15 105.19 104.77 2dja n GLY 18 Ca 0.38 -0.06 -0.11 0.00 0.00 0.00 0.00 46.02 46.23 2dja n GLY 18 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dja s ILE 19 N 0.08 0.06 1.00 -0.61 1.01 -1.26 -5.14 121.20 116.34 2dja s ILE 19 Ca 0.09 -0.52 -0.20 0.00 0.00 0.00 0.00 60.65 60.01 2dja s ILE 19 Cb 0.18 -0.28 -0.15 0.00 0.01 0.00 0.00 42.46 42.23 2dja s ILE 19 CO -0.04 -0.29 -0.95 0.35 0.00 0.00 0.00 174.94 174.00 2dja n THR 20 N 2.03 0.00 -2.19 2.92 -2.24 -1.26 -4.37 114.28 109.17 2dja n THR 20 Ca -0.20 -0.32 -0.38 0.00 -2.27 0.00 0.00 64.05 60.89 2dja n THR 20 Cb 0.57 -0.06 -0.01 0.00 -2.10 0.00 0.00 70.33 68.73 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 2.37 -0.14 -0.73 0.00 3.38 -1.88 -2.23 115.31 116.08 2dja h LEU 22 Ca -0.49 0.01 0.09 0.00 0.09 0.00 0.00 57.88 57.58 2dja h LEU 22 Cb 1.25 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.98 2dja h LEU 22 CO 0.61 -0.05 0.39 0.44 0.09 0.00 0.00 178.44 179.92 2dja h ASP 23 N -0.07 0.53 -3.58 -0.43 5.19 -1.94 -3.34 116.42 112.77 2dja h ASP 23 Ca -0.00 0.05 -0.68 0.00 -0.62 0.00 0.00 57.03 55.78 2dja h ASP 23 Cb 0.07 -0.05 -0.36 0.00 0.18 0.00 0.00 39.33 39.17 2dja h ASP 23 CO -0.02 0.31 -0.62 -1.00 -3.12 0.00 0.00 179.24 174.79 2dja s HIS 24 N -6.06 3.64 -0.04 4.55 3.76 -1.05 -4.97 115.29 115.12 2dja s HIS 24 Ca -0.13 -2.61 -0.00 0.00 -0.15 0.00 0.00 55.06 52.18 2dja s HIS 24 Cb 0.18 -3.05 0.03 0.00 1.11 0.00 0.00 32.58 30.85 2dja s HIS 24 CO 0.77 -0.96 1.84 -0.85 -0.85 0.00 0.00 174.74 174.69 2dja n GLU 25 N 4.47 1.11 0.00 1.40 0.28 -0.86 -1.43 120.64 125.60 2dja n GLU 25 Ca -0.01 -0.21 0.00 0.00 -0.16 0.00 0.00 57.16 56.78 2dja n GLU 25 Cb 0.42 -1.08 0.00 0.00 1.43 0.00 0.00 31.44 32.20 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 1.17 1.33 -4.60 -1.84 3.02 -1.26 -4.86 115.26 108.22 2dja n ASN 26 Ca 0.04 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.19 2dja n ASN 26 Cb 0.52 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.61 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 -1.42 3.96 -0.13 3.52 0.41 -1.22 -4.92 118.70 118.90 2dja s GLU 27 Ca 0.00 0.13 -0.29 0.00 -0.41 0.00 0.00 54.97 54.40 2dja s GLU 27 Cb 0.00 -3.68 -0.05 0.00 -1.78 0.00 0.00 34.13 28.62 2dja s GLU 27 CO 0.00 -0.38 1.76 0.15 -0.49 0.00 0.00 175.26 176.30 2dja s LYS 28 N 2.24 3.87 0.00 1.61 -0.14 -1.26 -1.95 119.74 124.11 2dja s LYS 28 Ca 0.19 2.01 -0.28 0.00 -1.36 0.00 0.00 55.97 56.52 2dja s LYS 28 Cb -0.16 -4.09 -0.14 0.00 -1.68 0.00 0.00 37.83 31.77 2dja s LYS 28 CO 0.10 -1.22 0.74 1.33 -0.76 0.00 0.00 175.35 175.54 2dja n VAL 29 N 6.19 0.04 0.00 3.17 0.24 -1.26 -4.80 118.33 121.90 2dja n VAL 29 Ca 0.20 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.49 2dja n VAL 29 Cb 0.44 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.81 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 1.06 3.83 -4.76 -1.34 6.94 -0.35 -4.92 115.26 115.72 2dja n ASN 30 Ca 0.14 0.00 -0.26 0.00 -0.02 0.00 0.00 54.58 54.44 2dja n ASN 30 Cb 0.06 0.60 -0.07 0.00 -2.36 0.00 0.00 39.78 38.01 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 -1.64 2.21 -0.11 -3.83 -1.94 -0.75 -3.01 119.30 110.23 2dja s MET 31 Ca 0.00 -1.94 -0.03 0.00 -1.71 0.00 0.00 55.69 52.01 2dja s MET 31 Cb 0.00 -1.93 0.05 0.00 2.01 0.00 0.00 34.83 34.95 2dja s MET 31 CO 0.00 -0.21 0.06 -0.47 -0.01 0.00 0.00 175.02 174.40 2dja s TYR 32 N -2.66 0.29 -0.06 -0.03 5.04 -1.19 -1.88 117.35 116.86 2dja s TYR 32 Ca 0.36 -0.15 -0.30 0.00 -2.44 0.00 0.00 57.07 54.55 2dja s TYR 32 Cb 0.03 -0.66 -0.04 0.00 0.35 0.00 0.00 41.96 41.64 2dja s TYR 32 CO 0.20 -0.39 1.35 0.00 -1.34 0.00 0.00 175.55 175.37 2dja h VAL 34 N 5.17 0.00 -0.35 0.00 2.07 -1.83 0.30 116.25 121.62 2dja h VAL 34 Ca -0.34 -0.49 0.08 0.00 0.82 0.00 0.00 66.70 66.76 2dja h VAL 34 Cb 1.15 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.84 2dja h VAL 34 CO 0.92 0.00 -0.27 0.28 0.02 0.00 0.00 177.57 178.52 2dja h SER 35 N -0.88 -0.89 0.97 0.57 0.02 -1.93 0.26 113.55 111.66 2dja h SER 35 Ca -0.04 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2dja h SER 35 Cb 0.30 0.43 0.00 0.00 0.14 0.00 0.00 62.40 63.27 2dja h SER 35 CO 0.07 -0.29 0.00 0.47 -1.14 0.00 0.00 176.83 175.94 2dja n ASP 36 N -5.40 0.21 -4.23 3.07 8.00 -1.26 -4.91 116.55 112.04 2dja n ASP 36 Ca 0.01 0.53 -0.34 0.00 0.71 0.00 0.00 54.79 55.70 2dja n ASP 36 Cb 0.31 -0.58 -0.05 0.00 -0.02 0.00 0.00 41.12 40.78 2dja n ASP 36 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 2dja n ASP 37 N -1.71 -1.38 -4.21 -2.24 8.00 0.99 -4.93 116.55 111.07 2dja n ASP 37 Ca 0.06 -1.11 -0.12 0.00 0.71 0.00 0.00 54.79 54.32 2dja n ASP 37 Cb 0.31 -2.38 -0.10 0.00 -0.02 0.00 0.00 41.12 38.93 2dja n ASP 37 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2dja s GLN 38 N -6.99 0.97 0.09 -1.24 2.00 -0.82 -4.96 119.66 108.70 2dja s GLN 38 Ca 0.41 -1.41 -0.28 0.00 -2.00 0.00 0.00 55.36 52.08 2dja s GLN 38 Cb -0.23 -0.37 -0.06 0.00 0.80 0.00 0.00 33.01 33.16 2dja s GLN 38 CO 0.95 -0.01 0.87 -0.51 -0.50 0.00 0.00 175.29 176.09 2dja s LEU 39 N -3.11 4.48 0.29 3.68 1.43 -1.26 -0.75 118.68 123.43 2dja s LEU 39 Ca 0.16 1.63 0.02 0.00 -1.03 0.00 0.00 54.13 54.91 2dja s LEU 39 Cb 0.04 -3.42 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 2dja s LEU 39 CO -0.01 -0.01 0.12 0.27 0.23 0.00 0.00 176.35 176.95 2dja s ILE 40 N -0.09 0.47 0.29 -0.59 -4.36 -0.79 -4.73 121.20 111.39 2dja s ILE 40 Ca 0.43 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.83 2dja s ILE 40 Cb -0.22 -2.57 0.01 0.00 1.25 0.00 0.00 42.46 40.93 2dja s ILE 40 CO 0.27 0.00 0.10 0.00 0.24 0.00 0.00 174.94 175.55 2dja h ALA 42 N 0.95 -0.72 -0.23 0.00 0.00 -1.91 -3.02 119.26 114.34 2dja h ALA 42 Ca -0.21 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.64 2dja h ALA 42 Cb 0.70 0.48 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 2dja h ALA 42 CO 0.35 -0.94 -0.44 -0.07 0.00 0.00 0.00 179.25 178.15 2dja h LEU 43 N -0.70 -1.41 -0.83 0.00 3.38 -1.97 0.43 115.31 114.22 2dja h LEU 43 Ca -0.02 0.19 0.32 0.00 0.09 0.00 0.00 57.88 58.46 2dja h LEU 43 Cb 0.63 0.59 -0.12 0.00 0.09 0.00 0.00 40.66 41.85 2dja h LEU 43 CO -0.06 -0.41 0.48 0.00 0.09 0.00 0.00 178.44 178.54 2dja n LYS 45 N -4.44 0.48 -0.12 0.00 3.00 -0.06 -1.27 118.16 115.76 2dja n LYS 45 Ca 0.28 0.43 -0.03 0.00 -0.00 0.00 0.00 58.31 58.99 2dja n LYS 45 Cb 1.01 -1.61 -0.03 0.00 0.00 0.00 0.00 35.03 34.40 2dja n LYS 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2dja n LEU 46 N -4.55 -0.29 0.00 3.14 7.99 0.13 -3.72 117.00 119.70 2dja n LEU 46 Ca -0.12 0.76 0.00 0.00 -0.01 0.00 0.00 56.01 56.64 2dja n LEU 46 Cb 0.38 -0.20 0.00 0.00 -0.11 0.00 0.00 43.42 43.49 2dja n LEU 46 CO 0.14 -0.53 -0.37 1.33 -1.51 0.00 0.00 177.39 176.45 2dja n VAL 47 N -3.63 0.00 -0.82 4.08 0.24 -0.67 -4.97 118.33 112.57 2dja n VAL 47 Ca 0.01 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.98 2dja n VAL 47 Cb 0.07 -0.36 0.09 0.00 -1.47 0.00 0.00 33.84 32.18 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 2.18 -2.65 0.23 7.63 0.00 0.44 -4.78 105.19 108.25 2dja n GLY 48 Ca 0.00 -0.43 0.16 0.00 0.00 0.00 0.00 46.02 45.75 2dja n GLY 48 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2dja h ARG 49 N -1.62 0.00 -1.85 1.61 2.43 -1.87 -3.04 114.38 110.04 2dja h ARG 49 Ca -0.41 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 58.65 2dja h ARG 49 Cb 1.25 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.75 2dja h ARG 49 CO 0.26 0.00 0.12 0.72 -1.51 0.00 0.00 179.97 179.56 2dja n HIS 50 N -2.71 0.50 0.01 2.20 8.25 -0.39 -4.06 115.22 119.02 2dja n HIS 50 Ca -0.00 -1.33 -0.17 0.00 -0.26 0.00 0.00 57.72 55.96 2dja n HIS 50 Cb 0.19 -0.69 -0.14 0.00 1.12 0.00 0.00 29.99 30.47 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 1.23 0.20 0.08 -0.41 2.43 -1.64 -3.36 114.38 112.91 2dja h ARG 51 Ca 0.10 -0.34 -0.18 0.00 -0.81 0.00 0.00 59.98 58.75 2dja h ARG 51 Cb 0.98 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2dja h ARG 51 CO 0.25 1.01 -0.91 0.22 -1.51 0.00 0.00 179.97 179.03 2dja h ASP 52 N 0.05 0.26 -2.39 -3.80 3.58 -1.89 -3.47 116.42 108.76 2dja h ASP 52 Ca -0.35 -0.86 -0.58 0.00 0.42 0.00 0.00 57.03 55.66 2dja h ASP 52 Cb 2.03 -0.08 0.19 0.00 1.72 0.00 0.00 39.33 43.19 2dja h ASP 52 CO 0.10 1.40 -1.05 1.41 -2.88 0.00 0.00 179.24 178.23 2dja n HIS 53 N -4.21 -2.67 -2.78 0.28 8.25 -1.26 -4.83 115.22 108.01 2dja n HIS 53 Ca -0.20 0.33 -0.43 0.00 -0.26 0.00 0.00 57.72 57.16 2dja n HIS 53 Cb 0.75 -1.71 -0.03 0.00 1.12 0.00 0.00 29.99 30.11 2dja n HIS 53 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2dja s GLN 54 N -1.75 3.23 0.14 -0.41 0.74 -1.26 -5.02 119.66 115.33 2dja s GLN 54 Ca 0.57 -0.85 -0.15 0.00 0.05 0.00 0.00 55.36 54.97 2dja s GLN 54 Cb -0.39 -4.40 -0.07 0.00 1.10 0.00 0.00 33.01 29.25 2dja s GLN 54 CO 0.67 -1.91 0.56 0.14 -0.55 0.00 0.00 175.29 174.19 2dja s VAL 55 N 4.32 4.83 -0.27 1.34 -7.23 -1.26 -2.85 120.40 119.27 2dja s VAL 55 Ca 0.28 0.91 0.03 0.00 -1.81 0.00 0.00 61.98 61.39 2dja s VAL 55 Cb -0.12 -3.76 0.07 0.00 0.56 0.00 0.00 36.38 33.12 2dja s VAL 55 CO 0.07 0.30 -0.05 0.00 -0.31 0.00 0.00 175.10 175.10 2dja s ALA 56 N -1.41 2.48 0.64 1.32 0.00 -0.90 -4.93 121.76 118.97 2dja s ALA 56 Ca 0.36 -1.85 -0.17 0.00 0.00 0.00 0.00 51.96 50.30 2dja s ALA 56 Cb -0.16 -1.64 -0.05 0.00 0.00 0.00 0.00 23.12 21.27 2dja s ALA 56 CO 0.19 -1.32 0.68 0.43 0.00 0.00 0.00 175.76 175.73 2dja n SER 57 N 4.45 -0.51 -4.28 0.00 7.64 -1.26 -3.14 113.62 116.53 2dja n SER 57 Ca -0.09 0.70 -0.43 0.00 1.01 0.00 0.00 58.87 60.06 2dja n SER 57 Cb 0.42 -1.26 -0.02 0.00 -1.01 0.00 0.00 64.21 62.34 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 -0.65 6.14 -1.30 -3.43 1.43 -1.16 -4.76 118.68 114.95 2dja s LEU 58 Ca 0.70 -3.62 -0.12 0.00 -1.03 0.00 0.00 54.13 50.06 2dja s LEU 58 Cb -0.40 -2.13 0.12 0.00 0.03 0.00 0.00 46.19 43.81 2dja s LEU 58 CO 0.53 -0.26 0.30 -0.46 0.23 0.00 0.00 176.35 176.69 2dja n ASN 59 N 2.62 -0.69 -4.64 2.29 0.23 -1.26 -4.85 115.26 108.96 2dja n ASN 59 Ca 0.23 -0.92 -0.29 0.00 -0.53 0.00 0.00 54.58 53.07 2dja n ASN 59 Cb 0.39 -1.17 0.19 0.00 -2.08 0.00 0.00 39.78 37.11 2dja n ASN 59 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 2dja s ASP 60 N -3.08 2.40 -0.02 0.53 1.01 -1.26 -5.07 116.67 111.18 2dja s ASP 60 Ca 0.42 1.14 0.03 0.00 0.71 0.00 0.00 52.55 54.85 2dja s ASP 60 Cb -0.24 -1.80 -0.00 0.00 1.01 0.00 0.00 42.92 41.89 2dja s ASP 60 CO 0.75 -3.27 -0.09 -0.60 0.21 0.00 0.00 175.17 172.17 2dja s ARG 61 N -4.97 0.89 -1.09 8.23 3.00 -1.26 -4.81 118.95 118.94 2dja s ARG 61 Ca 0.66 -0.32 -0.05 0.00 -1.00 0.00 0.00 55.73 55.03 2dja s ARG 61 Cb -0.19 -0.85 0.01 0.00 0.00 0.00 0.00 34.95 33.92 2dja s ARG 61 CO 0.58 0.14 0.94 0.34 0.00 0.00 0.00 175.30 177.30 2dja n PHE 62 N 3.14 -2.21 -2.19 5.12 7.35 -1.26 -4.91 117.46 122.50 2dja n PHE 62 Ca -0.17 0.83 -0.41 0.00 -0.76 0.00 0.00 57.45 56.95 2dja n PHE 62 Cb 0.55 -4.49 0.00 0.00 0.35 0.00 0.00 39.48 35.89 2dja n PHE 62 CO 0.00 0.00 0.00 -0.85 -0.76 0.00 0.00 176.76 175.15 2dja n GLU 63 N -4.05 4.15 -0.08 -4.13 0.28 -1.26 -4.30 120.64 111.25 2dja n GLU 63 Ca -0.09 -3.53 0.01 0.00 -0.16 0.00 0.00 57.16 53.38 2dja n GLU 63 Cb 0.59 -2.76 0.02 0.00 1.43 0.00 0.00 31.44 30.71 2dja n GLU 63 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 2dja n LYS 64 N 2.67 1.09 -2.29 3.44 -0.00 -1.26 -5.08 118.16 116.74 2dja n LYS 64 Ca 0.51 -1.12 -0.33 0.00 -0.00 0.00 0.00 58.31 57.37 2dja n LYS 64 Cb 0.30 -0.77 -0.02 0.00 -0.00 0.00 0.00 35.03 34.55 2dja n LYS 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2dja s LEU 65 N -0.64 3.63 -0.22 -5.58 2.01 -1.26 -5.06 118.68 111.56 2dja s LEU 65 Ca 0.04 1.77 -0.29 0.00 0.01 0.00 0.00 54.13 55.65 2dja s LEU 65 Cb 0.03 -4.53 0.15 0.00 0.01 0.00 0.00 46.19 41.85 2dja s LEU 65 CO 0.00 -0.89 1.14 -0.75 1.01 0.00 0.00 176.35 176.87 2dja s LYS 66 N -3.84 0.38 0.41 1.70 2.20 -1.26 -5.19 119.74 114.14 2dja s LYS 66 Ca 0.63 0.13 0.03 0.00 -0.36 0.00 0.00 55.97 56.41 2dja s LYS 66 Cb -0.14 0.18 -0.03 0.00 -1.51 0.00 0.00 37.83 36.33 2dja s LYS 66 CO 0.30 -0.11 0.10 1.14 -0.36 0.00 0.00 175.35 176.43 2dja s GLN 67 N -0.91 1.93 0.00 4.03 -2.07 -1.26 -5.06 119.66 116.32 2dja s GLN 67 Ca 0.03 -2.18 0.00 0.00 -1.82 0.00 0.00 55.36 51.39 2dja s GLN 67 Cb -0.01 -0.76 0.00 0.00 -1.09 0.00 0.00 33.01 31.15 2dja s GLN 67 CO -0.03 -0.43 0.29 0.25 -1.32 0.00 0.00 175.29 174.05 2dja n THR 68 N -0.93 0.00 -3.73 3.63 -2.24 -1.26 -5.08 114.28 104.67 2dja n THR 68 Ca -0.07 -0.44 -0.06 0.00 -2.27 0.00 0.00 64.05 61.21 2dja n THR 68 Cb 0.65 1.08 -0.02 0.00 -2.10 0.00 0.00 70.33 69.95 2dja n THR 68 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2dja s LEU 69 N -0.58 -0.26 0.33 3.22 0.05 -1.26 -5.15 118.68 115.03 2dja s LEU 69 Ca 0.00 -0.39 -0.29 0.00 0.05 0.00 0.00 54.13 53.50 2dja s LEU 69 Cb 0.00 2.36 -0.10 0.00 -2.05 0.00 0.00 46.19 46.40 2dja s LEU 69 CO 0.00 -1.02 1.37 -0.70 -0.55 0.00 0.00 176.35 175.45 2dja s GLU 70 N -3.51 4.29 -0.74 1.48 2.56 -1.26 -4.74 118.70 116.78 2dja s GLU 70 Ca 0.10 2.31 -0.24 0.00 0.00 0.00 0.00 54.97 57.14 2dja s GLU 70 Cb -0.03 -3.06 -0.17 0.00 2.00 0.00 0.00 34.13 32.88 2dja s GLU 70 CO 0.01 -0.30 2.02 -1.33 -0.56 0.00 0.00 175.26 175.10 2dja n MET 71 N 1.00 0.00 -3.15 4.30 2.81 -1.26 -4.79 117.12 116.03 2dja n MET 71 Ca 0.01 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.96 2dja n MET 71 Cb 0.41 -1.13 -0.01 0.00 -0.71 0.00 0.00 33.22 31.77 2dja n MET 71 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 2dja s ASN 72 N 6.71 -0.62 -0.30 7.83 2.47 -1.26 -5.13 114.94 124.64 2dja s ASN 72 Ca 1.02 0.26 0.01 0.00 0.42 0.00 0.00 52.86 54.57 2dja s ASN 72 Cb -0.96 1.47 0.09 0.00 -1.45 0.00 0.00 41.25 40.40 2dja s ASN 72 CO 0.38 -0.11 0.06 -0.76 -3.72 0.00 0.00 177.10 172.94 2dja s LEU 73 N 2.94 3.05 -0.52 3.21 2.01 -1.26 -4.99 118.68 123.12 2dja s LEU 73 Ca 0.10 -1.70 -0.02 0.00 0.01 0.00 0.00 54.13 52.52 2dja s LEU 73 Cb -0.08 -1.15 0.33 0.00 0.01 0.00 0.00 46.19 45.30 2dja s LEU 73 CO -0.16 -0.37 2.07 0.35 1.01 0.00 0.00 176.35 179.24 2dja n THR 74 N 4.64 3.25 -3.61 5.49 -2.24 -1.26 -4.88 114.28 115.67 2dja n THR 74 Ca -0.02 -2.44 -0.06 0.00 -2.27 0.00 0.00 64.05 59.26 2dja n THR 74 Cb 0.42 -1.26 -0.04 0.00 -2.10 0.00 0.00 70.33 67.35 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 -0.83 -0.18 0.00 3.42 2.20 -1.26 -5.07 114.94 113.22 2dja s ASN 75 Ca 0.49 0.19 0.00 0.00 -0.94 0.00 0.00 52.86 52.60 2dja s ASN 75 Cb 0.39 0.15 0.00 0.00 -2.00 0.00 0.00 41.25 39.78 2dja s ASN 75 CO -0.04 -0.17 0.00 -0.11 -2.94 0.00 0.00 177.10 173.84 2dja n LEU 76 N 0.57 2.69 -4.88 3.54 0.00 -1.26 -5.08 117.00 112.58 2dja n LEU 76 Ca -0.04 0.00 -0.22 0.00 0.00 0.00 0.00 56.01 55.75 2dja n LEU 76 Cb 0.58 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.98 2dja n LEU 76 CO 0.11 0.45 0.02 0.68 0.00 0.00 0.00 177.39 178.64 2dja s VAL 77 N -1.93 2.48 0.09 1.96 -7.23 -1.26 -5.15 120.40 109.36 2dja s VAL 77 Ca 0.00 -1.36 -0.05 0.00 -1.81 0.00 0.00 61.98 58.76 2dja s VAL 77 Cb 0.00 -2.84 -0.02 0.00 0.56 0.00 0.00 36.38 34.07 2dja s VAL 77 CO 0.00 0.00 0.11 -0.54 -0.31 0.00 0.00 175.10 174.36 2dja s LYS 78 N -4.17 0.81 -0.03 4.82 -0.14 -1.26 -5.16 119.74 114.61 2dja s LYS 78 Ca 0.47 -1.14 0.00 0.00 -1.36 0.00 0.00 55.97 53.94 2dja s LYS 78 Cb -0.03 0.29 -0.03 0.00 -1.68 0.00 0.00 37.83 36.37 2dja s LYS 78 CO 0.27 -0.23 0.01 0.45 -0.76 0.00 0.00 175.35 175.09 2dja s SER 79 N -2.92 5.19 -0.40 2.83 0.15 -1.26 -5.04 113.70 112.25 2dja s SER 79 Ca 0.10 0.06 0.02 0.00 0.70 0.00 0.00 55.95 56.83 2dja s SER 79 Cb 0.06 -1.40 0.27 0.00 -1.71 0.00 0.00 66.02 63.24 2dja s SER 79 CO -0.08 0.32 1.12 0.61 1.20 0.00 0.00 173.24 176.41 2dja n GLY 80 N 1.66 -0.81 3.62 9.45 0.00 -1.26 -5.16 105.19 112.68 2dja n GLY 80 Ca -0.16 0.57 -0.30 0.00 0.00 0.00 0.00 46.02 46.13 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 0.33 -0.75 0.31 1.61 0.04 -1.26 -5.09 135.00 130.20 2dja s PRO 81 Ca 0.27 0.10 -0.09 0.00 0.04 0.00 0.00 61.00 61.33 2dja s PRO 81 Cb 0.24 -1.64 0.01 0.00 0.04 0.00 0.00 34.50 33.15 2dja s PRO 81 CO -0.15 -3.43 0.53 -1.12 0.04 0.00 0.00 177.00 172.87 2dja s SER 82 N -3.76 0.38 0.28 6.66 0.01 -1.26 -5.19 113.70 110.82 2dja s SER 82 Ca 0.69 -1.22 -0.08 0.00 1.31 0.00 0.00 55.95 56.65 2dja s SER 82 Cb -0.12 0.67 -0.00 0.00 0.21 0.00 0.00 66.02 66.77 2dja s SER 82 CO 0.57 -1.31 0.45 -0.94 0.41 0.00 0.00 173.24 172.42 2dja s SER 83 N -3.13 0.27 0.00 2.44 1.04 -1.26 -5.37 113.70 107.69 2dja s SER 83 Ca 0.25 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 55.51 2dja s SER 83 Cb -0.01 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.71 2dja s SER 83 CO 0.14 -1.18 0.37 0.61 0.98 0.00 0.00 173.24 174.16