#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 -0.25 0.22 1.61 0.01 -1.26 -5.19 113.70 108.85 2dja s SER 2 Ca 0.00 0.47 -0.07 0.00 1.31 0.00 0.00 55.95 57.66 2dja s SER 2 Cb 0.00 0.47 -0.02 0.00 0.21 0.00 0.00 66.02 66.68 2dja s SER 2 CO 0.00 -0.09 0.30 -0.44 0.41 0.00 0.00 173.24 173.42 2dja s SER 3 N 0.04 0.04 0.18 2.44 0.01 -1.26 -5.18 113.70 109.97 2dja s SER 3 Ca 0.05 -1.16 0.03 0.00 1.31 0.00 0.00 55.95 56.18 2dja s SER 3 Cb -0.05 0.48 -0.05 0.00 0.21 0.00 0.00 66.02 66.62 2dja s SER 3 CO -0.10 -0.99 -0.03 -0.83 0.41 0.00 0.00 173.24 171.70 2dja s GLY 4 N -3.09 1.27 0.09 3.44 0.00 -1.26 -5.16 107.32 102.61 2dja s GLY 4 Ca 0.31 -1.61 -0.27 0.00 0.00 0.00 0.00 44.72 43.15 2dja s GLY 4 CO 0.11 -1.58 0.99 -1.35 0.00 0.00 0.00 173.10 171.26 2dja s SER 5 N -3.21 -0.20 1.02 1.64 1.04 -1.26 -5.16 113.70 107.57 2dja s SER 5 Ca 0.23 -0.28 -0.20 0.00 0.48 0.00 0.00 55.95 56.18 2dja s SER 5 Cb 0.05 0.42 -0.07 0.00 0.10 0.00 0.00 66.02 66.51 2dja s SER 5 CO 0.04 -0.75 -0.64 -1.20 0.98 0.00 0.00 173.24 171.67 2dja n SER 6 N -0.42 -3.57 0.00 7.02 7.64 -1.26 -4.99 113.62 118.05 2dja n SER 6 Ca -0.07 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2dja n SER 6 Cb 0.61 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 2dja n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dja n GLY 7 N 2.81 2.02 3.01 0.23 0.00 -1.26 -5.03 105.19 106.97 2dja n GLY 7 Ca 0.00 0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 2dja n GLY 7 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2dja n VAL 8 N 0.00 -3.26 -4.40 1.61 0.31 -1.26 -5.02 118.33 106.31 2dja n VAL 8 Ca 0.00 -0.16 -0.33 0.00 -0.01 0.00 0.00 64.34 63.84 2dja n VAL 8 Cb 0.00 -3.84 -0.10 0.00 -0.91 0.00 0.00 33.84 29.00 2dja n VAL 8 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2dja s GLU 9 N -5.62 2.81 1.21 5.55 0.41 -1.26 -5.12 118.70 116.69 2dja s GLU 9 Ca 0.27 -0.55 -0.20 0.00 -0.41 0.00 0.00 54.97 54.08 2dja s GLU 9 Cb -0.12 -2.67 0.29 0.00 -1.78 0.00 0.00 34.13 29.85 2dja s GLU 9 CO 0.56 0.65 1.11 -1.25 -0.49 0.00 0.00 175.26 175.85 2dja s PRO 10 N -1.20 -1.32 -0.09 0.39 0.04 -1.26 -4.99 135.00 126.58 2dja s PRO 10 Ca 0.16 -0.10 0.04 0.00 0.04 0.00 0.00 61.00 61.13 2dja s PRO 10 Cb -0.11 -1.59 -0.01 0.00 0.04 0.00 0.00 34.50 32.83 2dja s PRO 10 CO 0.06 -3.77 -0.21 0.08 0.04 0.00 0.00 177.00 173.20 2dja s VAL 11 N -3.01 2.38 0.88 -0.36 1.01 -1.26 -5.05 120.40 114.99 2dja s VAL 11 Ca 0.71 -0.93 -0.11 0.00 0.00 0.00 0.00 61.98 61.65 2dja s VAL 11 Cb -0.09 -1.92 0.12 0.00 0.00 0.00 0.00 36.38 34.49 2dja s VAL 11 CO 0.56 0.56 1.09 -2.16 0.00 0.00 0.00 175.10 175.15 2dja s PRO 12 N 0.06 1.37 -0.93 2.72 0.04 -1.26 -4.89 135.00 132.10 2dja s PRO 12 Ca -0.09 0.86 -0.24 0.00 0.04 0.00 0.00 61.00 61.57 2dja s PRO 12 Cb -0.15 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 2dja s PRO 12 CO 0.06 -2.18 1.93 0.16 0.04 0.00 0.00 177.00 177.01 2dja s ASP 13 N -3.42 5.17 0.11 6.66 -4.77 -1.26 -4.91 116.67 114.24 2dja s ASP 13 Ca 0.63 -0.80 0.06 0.00 -3.30 0.00 0.00 52.55 49.14 2dja s ASP 13 Cb -0.18 -2.56 -0.04 0.00 -1.09 0.00 0.00 42.92 39.05 2dja s ASP 13 CO 0.57 -2.74 -0.15 0.42 0.70 0.00 0.00 175.17 173.96 2dja s THR 14 N 10.04 1.33 -0.12 2.11 -4.23 -1.26 -5.09 115.64 118.42 2dja s THR 14 Ca 0.69 -1.60 -0.39 0.00 -1.18 0.00 0.00 61.69 59.21 2dja s THR 14 Cb -0.06 -1.43 -0.19 0.00 1.34 0.00 0.00 72.50 72.16 2dja s THR 14 CO 0.00 -0.33 1.14 1.57 -0.54 0.00 0.00 174.62 176.46 2dja n HIS 15 N 0.77 0.88 -2.13 3.99 -0.00 -1.26 -4.74 115.22 112.71 2dja n HIS 15 Ca -0.17 1.02 -0.33 0.00 0.46 0.00 0.00 57.72 58.69 2dja n HIS 15 Cb 0.56 -2.00 -0.04 0.00 -0.12 0.00 0.00 29.99 28.39 2dja n HIS 15 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2dja s LEU 16 N 0.73 3.24 0.47 0.27 2.01 -1.26 -4.93 118.68 119.22 2dja s LEU 16 Ca 0.89 -0.39 0.02 0.00 0.01 0.00 0.00 54.13 54.66 2dja s LEU 16 Cb -1.25 -2.55 -0.02 0.00 0.01 0.00 0.00 46.19 42.38 2dja s LEU 16 CO 0.60 -2.43 0.04 -0.13 1.01 0.00 0.00 176.35 175.44 2dja s ARG 17 N 6.72 2.10 0.00 1.70 0.52 -1.26 -4.99 118.95 123.75 2dja s ARG 17 Ca 0.64 -2.32 0.00 0.00 -0.52 0.00 0.00 55.73 53.53 2dja s ARG 17 Cb -0.08 -1.28 0.00 0.00 0.52 0.00 0.00 34.95 34.11 2dja s ARG 17 CO 0.07 -0.37 0.00 0.41 0.02 0.00 0.00 175.30 175.43 2dja n GLY 18 N -1.14 -0.54 0.09 -3.53 0.00 -1.26 -4.96 105.19 93.85 2dja n GLY 18 Ca -0.15 0.66 -0.16 0.00 0.00 0.00 0.00 46.02 46.37 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 0.64 -1.66 -0.61 1.08 -2.01 -3.48 117.51 111.47 2dja h ILE 19 Ca 0.00 -1.82 -0.15 0.00 -0.39 0.00 0.00 64.86 62.50 2dja h ILE 19 Cb 0.00 1.54 0.09 0.00 -3.07 0.00 0.00 36.82 35.38 2dja h ILE 19 CO 0.00 0.22 -0.07 0.35 -0.69 0.00 0.00 178.15 177.95 2dja n THR 20 N -4.49 0.00 -3.06 -0.27 -2.24 -1.26 -4.39 114.28 98.57 2dja n THR 20 Ca -0.24 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.14 2dja n THR 20 Cb 0.55 -0.41 -0.06 0.00 -2.10 0.00 0.00 70.33 68.32 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 5.12 -0.72 -0.85 0.00 3.38 -1.85 -1.39 115.31 119.00 2dja h LEU 22 Ca -0.46 0.09 0.06 0.00 0.09 0.00 0.00 57.88 57.67 2dja h LEU 22 Cb 1.21 0.30 -0.06 0.00 0.09 0.00 0.00 40.66 42.19 2dja h LEU 22 CO 0.68 -0.16 0.53 -0.78 0.09 0.00 0.00 178.44 178.80 2dja h ASP 23 N -0.16 0.83 -3.74 -0.43 1.82 -1.95 -3.37 116.42 109.43 2dja h ASP 23 Ca 0.03 0.02 -0.67 0.00 -0.39 0.00 0.00 57.03 56.01 2dja h ASP 23 Cb 0.23 -0.16 -0.37 0.00 0.68 0.00 0.00 39.33 39.72 2dja h ASP 23 CO -0.23 0.54 -0.72 -1.00 -1.61 0.00 0.00 179.24 176.22 2dja s HIS 24 N -6.07 3.48 -0.09 0.28 0.09 -0.57 -4.97 115.29 107.44 2dja s HIS 24 Ca -0.13 -2.48 0.01 0.00 -0.00 0.00 0.00 55.06 52.46 2dja s HIS 24 Cb 0.18 -2.48 0.13 0.00 -0.00 0.00 0.00 32.58 30.42 2dja s HIS 24 CO 0.79 -0.90 1.23 -0.85 -0.00 0.00 0.00 174.74 175.00 2dja n GLU 25 N 4.43 1.25 0.00 1.40 0.00 -0.91 -0.95 120.64 125.86 2dja n GLU 25 Ca -0.06 -0.60 0.00 0.00 0.00 0.00 0.00 57.16 56.50 2dja n GLU 25 Cb 0.42 -1.23 0.00 0.00 0.00 0.00 0.00 31.44 30.63 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 0.22 2.34 -4.67 -1.84 4.13 -1.26 -4.86 115.26 109.32 2dja n ASN 26 Ca 0.12 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.99 2dja n ASN 26 Cb 0.72 0.03 -0.07 0.00 -1.54 0.00 0.00 39.78 38.93 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 -1.57 4.20 -0.48 3.52 0.41 -1.23 -4.94 118.70 118.61 2dja s GLU 27 Ca 0.00 0.45 -0.28 0.00 -0.41 0.00 0.00 54.97 54.73 2dja s GLU 27 Cb 0.00 -3.56 -0.00 0.00 -1.78 0.00 0.00 34.13 28.79 2dja s GLU 27 CO 0.00 -0.14 1.61 0.15 -0.49 0.00 0.00 175.26 176.39 2dja s LYS 28 N 1.60 3.24 -0.36 1.61 -0.14 -1.26 -1.90 119.74 122.53 2dja s LYS 28 Ca 0.25 0.86 -0.32 0.00 -1.36 0.00 0.00 55.97 55.40 2dja s LYS 28 Cb -0.15 -4.17 -0.14 0.00 -1.68 0.00 0.00 37.83 31.68 2dja s LYS 28 CO 0.10 -1.99 1.54 1.33 -0.76 0.00 0.00 175.35 175.56 2dja n VAL 29 N 7.13 0.00 0.69 3.17 0.24 -1.26 -4.77 118.33 123.53 2dja n VAL 29 Ca 0.18 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.56 2dja n VAL 29 Cb 0.49 -0.36 -0.10 0.00 -1.47 0.00 0.00 33.84 32.40 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 5.35 0.82 -4.49 -1.34 0.23 -0.69 -4.86 115.26 110.28 2dja n ASN 30 Ca 0.39 -0.79 -0.24 0.00 -0.53 0.00 0.00 54.58 53.41 2dja n ASN 30 Cb -0.03 1.09 -0.10 0.00 -2.08 0.00 0.00 39.78 38.66 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 -2.63 1.79 -0.02 -3.83 -1.94 -0.51 -1.84 119.30 110.33 2dja s MET 31 Ca 0.05 -2.02 0.01 0.00 -1.71 0.00 0.00 55.69 52.02 2dja s MET 31 Cb 0.12 -1.11 0.01 0.00 2.01 0.00 0.00 34.83 35.87 2dja s MET 31 CO 0.68 -0.18 -0.02 -0.47 -0.01 0.00 0.00 175.02 175.02 2dja s TYR 32 N -3.10 0.35 -0.10 -0.03 5.04 -1.18 -0.22 117.35 118.12 2dja s TYR 32 Ca 0.34 -0.05 -0.21 0.00 -2.44 0.00 0.00 57.07 54.71 2dja s TYR 32 Cb 0.08 -0.33 -0.04 0.00 0.35 0.00 0.00 41.96 42.03 2dja s TYR 32 CO 0.16 -0.07 0.58 0.00 -1.34 0.00 0.00 175.55 174.88 2dja h VAL 34 N 4.77 0.60 -0.11 0.00 2.07 -1.75 0.17 116.25 122.01 2dja h VAL 34 Ca -0.40 -1.34 0.04 0.00 0.82 0.00 0.00 66.70 65.82 2dja h VAL 34 Cb 1.18 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 32.00 2dja h VAL 34 CO 0.76 0.19 -0.38 0.28 0.02 0.00 0.00 177.57 178.44 2dja h SER 35 N -0.99 -1.18 0.14 0.57 0.02 -1.95 -2.33 113.55 107.83 2dja h SER 35 Ca -0.01 0.16 -0.19 0.00 -0.84 0.00 0.00 61.79 60.91 2dja h SER 35 Cb 0.38 0.49 -0.00 0.00 0.14 0.00 0.00 62.40 63.40 2dja h SER 35 CO 0.01 -0.41 -0.73 0.44 -1.14 0.00 0.00 176.83 175.01 2dja h ASP 36 N -0.47 0.60 -2.97 3.07 3.32 -1.95 -3.48 116.42 114.55 2dja h ASP 36 Ca 0.08 -0.39 -0.14 0.00 0.02 0.00 0.00 57.03 56.60 2dja h ASP 36 Cb 0.60 -0.18 0.05 0.00 0.22 0.00 0.00 39.33 40.03 2dja h ASP 36 CO -0.37 1.14 -0.26 0.47 -1.72 0.00 0.00 179.24 178.51 2dja n ASP 37 N -3.87 -2.99 -3.84 6.45 9.92 0.59 -5.05 116.55 117.76 2dja n ASP 37 Ca -0.05 -0.21 -0.12 0.00 -0.53 0.00 0.00 54.79 53.88 2dja n ASP 37 Cb 0.71 -2.16 -0.14 0.00 -0.64 0.00 0.00 41.12 38.90 2dja n ASP 37 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 2dja s GLN 38 N -5.10 0.05 0.24 -1.24 2.00 -1.08 -4.96 119.66 109.57 2dja s GLN 38 Ca 0.13 0.10 -0.31 0.00 -2.00 0.00 0.00 55.36 53.27 2dja s GLN 38 Cb -0.06 -0.01 -0.13 0.00 0.80 0.00 0.00 33.01 33.62 2dja s GLN 38 CO 0.26 -0.03 1.56 1.28 -0.50 0.00 0.00 175.29 177.86 2dja n LEU 39 N 3.22 3.68 -4.46 3.68 4.77 -1.26 -2.15 117.00 124.49 2dja n LEU 39 Ca -0.14 1.12 -0.25 0.00 -0.03 0.00 0.00 56.01 56.71 2dja n LEU 39 Cb 0.58 -1.51 -0.08 0.00 -2.33 0.00 0.00 43.42 40.09 2dja n LEU 39 CO 0.24 -0.12 -0.16 0.27 -1.33 0.00 0.00 177.39 176.28 2dja s ILE 40 N 0.34 0.39 0.24 -0.08 -4.36 0.70 -4.73 121.20 113.71 2dja s ILE 40 Ca 0.70 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 59.10 2dja s ILE 40 Cb -0.58 -2.35 -0.00 0.00 1.25 0.00 0.00 42.46 40.78 2dja s ILE 40 CO 0.44 0.00 0.03 0.00 0.24 0.00 0.00 174.94 175.65 2dja h ALA 42 N 1.21 -0.48 -1.19 0.00 0.00 -1.94 -2.56 119.26 114.29 2dja h ALA 42 Ca -0.20 -0.13 0.34 0.00 0.00 0.00 0.00 54.91 54.92 2dja h ALA 42 Cb 0.64 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 2dja h ALA 42 CO 0.32 -0.73 0.81 -0.07 0.00 0.00 0.00 179.25 179.58 2dja h LEU 43 N -0.56 0.21 -1.11 0.00 3.38 -1.98 0.99 115.31 116.24 2dja h LEU 43 Ca -0.05 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2dja h LEU 43 Cb 0.42 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2dja h LEU 43 CO 0.08 0.01 -0.29 0.00 0.09 0.00 0.00 178.44 178.33 2dja n LYS 45 N -4.13 2.74 -0.02 0.00 4.76 0.33 -3.14 118.16 118.70 2dja n LYS 45 Ca -0.01 -2.48 -0.06 0.00 -2.87 0.00 0.00 58.31 52.89 2dja n LYS 45 Cb 0.39 -1.58 -0.02 0.00 -1.84 0.00 0.00 35.03 31.98 2dja n LYS 45 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2dja n LEU 46 N 1.41 1.33 0.00 -0.35 4.32 -0.36 -4.87 117.00 118.49 2dja n LEU 46 Ca 0.23 0.21 0.00 0.00 -0.02 0.00 0.00 56.01 56.43 2dja n LEU 46 Cb 0.62 -0.48 0.00 0.00 -1.62 0.00 0.00 43.42 41.94 2dja n LEU 46 CO 0.17 -0.36 0.07 1.33 -1.22 0.00 0.00 177.39 177.37 2dja n VAL 47 N -3.83 0.00 -0.57 4.08 0.24 -0.52 -5.04 118.33 112.69 2dja n VAL 47 Ca -0.10 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.03 2dja n VAL 47 Cb 0.33 1.57 0.00 0.00 -1.47 0.00 0.00 33.84 34.27 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 0.05 -2.13 0.08 7.63 0.00 -0.32 -4.97 105.19 105.53 2dja n GLY 48 Ca 0.00 -1.49 -0.06 0.00 0.00 0.00 0.00 46.02 44.47 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 0.00 0.00 -2.01 1.61 9.65 -1.90 -3.34 114.38 118.40 2dja h ARG 49 Ca 0.00 0.00 -0.14 0.00 -1.10 0.00 0.00 59.98 58.74 2dja h ARG 49 Cb 0.00 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.53 2dja h ARG 49 CO 0.00 0.80 -0.29 0.72 2.80 0.00 0.00 179.97 184.00 2dja n HIS 50 N -3.25 0.00 -0.07 2.20 8.25 -1.20 -4.30 115.22 116.85 2dja n HIS 50 Ca -0.04 -1.37 -0.07 0.00 -0.26 0.00 0.00 57.72 55.98 2dja n HIS 50 Cb 0.94 -1.32 -0.05 0.00 1.12 0.00 0.00 29.99 30.68 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 2.53 0.00 -0.16 -0.41 3.08 -1.69 -3.38 114.38 114.35 2dja h ARG 51 Ca 0.14 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.07 2dja h ARG 51 Cb 1.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.43 2dja h ARG 51 CO 0.17 0.38 -0.39 0.22 -1.07 0.00 0.00 179.97 179.28 2dja h ASP 52 N -1.00 0.63 -1.80 7.04 3.58 -1.93 -3.46 116.42 119.48 2dja h ASP 52 Ca -0.05 -0.57 -0.62 0.00 0.42 0.00 0.00 57.03 56.21 2dja h ASP 52 Cb 0.53 -0.18 0.15 0.00 1.72 0.00 0.00 39.33 41.56 2dja h ASP 52 CO -0.03 1.08 -0.82 1.41 -2.88 0.00 0.00 179.24 178.01 2dja n HIS 53 N -4.28 -1.71 -2.95 0.28 8.25 -1.26 -4.85 115.22 108.70 2dja n HIS 53 Ca -0.06 0.63 -0.43 0.00 -0.26 0.00 0.00 57.72 57.60 2dja n HIS 53 Cb 0.53 -1.83 -0.05 0.00 1.12 0.00 0.00 29.99 29.76 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 -1.13 3.26 0.34 -0.41 0.74 -1.26 -4.98 119.66 116.22 2dja s GLN 54 Ca 0.60 -0.48 0.03 0.00 0.05 0.00 0.00 55.36 55.56 2dja s GLN 54 Cb -0.64 -4.07 -0.02 0.00 1.10 0.00 0.00 33.01 29.38 2dja s GLN 54 CO 0.61 -1.39 0.51 0.14 -0.55 0.00 0.00 175.29 174.61 2dja s VAL 55 N 3.49 4.68 -0.24 1.34 -7.23 -1.26 -2.03 120.40 119.16 2dja s VAL 55 Ca 0.25 -0.71 -0.01 0.00 -1.81 0.00 0.00 61.98 59.70 2dja s VAL 55 Cb -0.15 -3.68 0.07 0.00 0.56 0.00 0.00 36.38 33.18 2dja s VAL 55 CO 0.17 -0.37 0.02 0.00 -0.31 0.00 0.00 175.10 174.60 2dja s ALA 56 N -2.26 1.55 0.23 1.32 0.00 0.12 -4.92 121.76 117.81 2dja s ALA 56 Ca 0.41 -1.22 -0.28 0.00 0.00 0.00 0.00 51.96 50.87 2dja s ALA 56 Cb -0.10 -1.40 -0.16 0.00 0.00 0.00 0.00 23.12 21.46 2dja s ALA 56 CO 0.34 -1.30 0.62 -1.13 0.00 0.00 0.00 175.76 174.28 2dja n SER 57 N 4.83 -0.70 -4.54 0.00 3.41 -1.26 -3.10 113.62 112.26 2dja n SER 57 Ca -0.08 1.13 -0.43 0.00 -0.26 0.00 0.00 58.87 59.23 2dja n SER 57 Cb 0.45 -1.03 -0.06 0.00 -0.26 0.00 0.00 64.21 63.31 2dja n SER 57 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2dja s LEU 58 N 2.43 4.30 -0.02 1.04 1.43 -0.76 -4.88 118.68 122.21 2dja s LEU 58 Ca 0.63 -0.17 -0.15 0.00 -1.03 0.00 0.00 54.13 53.41 2dja s LEU 58 Cb -0.86 -2.92 -0.05 0.00 0.03 0.00 0.00 46.19 42.39 2dja s LEU 58 CO 0.57 -0.90 0.40 0.21 0.23 0.00 0.00 176.35 176.86 2dja s ASN 59 N 2.14 6.77 -0.15 2.29 3.84 -1.26 -4.97 114.94 123.60 2dja s ASN 59 Ca 0.28 0.92 -0.12 0.00 0.21 0.00 0.00 52.86 54.16 2dja s ASN 59 Cb -0.12 -2.25 0.05 0.00 -0.55 0.00 0.00 41.25 38.37 2dja s ASN 59 CO 0.22 0.29 0.39 1.51 -2.79 0.00 0.00 177.10 176.72 2dja s ASP 60 N -0.85 -0.44 -0.16 -4.21 1.47 -1.26 -5.11 116.67 106.11 2dja s ASP 60 Ca 0.23 0.81 -0.28 0.00 1.18 0.00 0.00 52.55 54.49 2dja s ASP 60 Cb -0.16 0.77 -0.06 0.00 -0.34 0.00 0.00 42.92 43.13 2dja s ASP 60 CO 0.12 -0.16 2.16 -0.60 0.68 0.00 0.00 175.17 177.38 2dja s ARG 61 N 0.64 3.35 -0.11 2.11 6.06 -1.26 -4.96 118.95 124.78 2dja s ARG 61 Ca -0.04 2.16 0.03 0.00 -2.50 0.00 0.00 55.73 55.38 2dja s ARG 61 Cb -0.05 -4.33 -0.00 0.00 0.06 0.00 0.00 34.95 30.63 2dja s ARG 61 CO -0.04 -1.86 -0.21 -0.59 -2.50 0.00 0.00 175.30 170.10 2dja s PHE 62 N 7.47 2.63 0.14 5.12 -0.71 -1.26 -5.00 117.98 126.37 2dja s PHE 62 Ca 0.98 -0.96 0.00 0.00 -1.04 0.00 0.00 56.93 55.91 2dja s PHE 62 Cb -0.35 -1.75 0.00 0.00 -1.21 0.00 0.00 43.02 39.71 2dja s PHE 62 CO 0.37 -0.38 0.00 -1.91 -1.34 0.00 0.00 175.22 171.96 2dja n GLU 63 N 3.55 0.00 -3.91 1.99 2.13 -1.26 -5.01 120.64 118.14 2dja n GLU 63 Ca -0.19 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.33 2dja n GLU 63 Cb 0.53 -0.39 -0.15 0.00 0.27 0.00 0.00 31.44 31.70 2dja n GLU 63 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2dja s LYS 64 N -2.00 1.33 -0.19 5.31 2.47 -1.26 -5.07 119.74 120.33 2dja s LYS 64 Ca 0.00 -1.79 -0.01 0.00 -1.56 0.00 0.00 55.97 52.61 2dja s LYS 64 Cb 0.00 -2.82 0.05 0.00 -1.46 0.00 0.00 37.83 33.60 2dja s LYS 64 CO 0.00 -1.00 -0.02 -1.17 0.16 0.00 0.00 175.35 173.32 2dja s LEU 65 N 0.86 1.72 0.10 5.43 0.20 -1.26 -5.12 118.68 120.61 2dja s LEU 65 Ca 0.12 -0.86 -0.27 0.00 0.69 0.00 0.00 54.13 53.82 2dja s LEU 65 Cb -0.20 -0.87 -0.06 0.00 -0.43 0.00 0.00 46.19 44.63 2dja s LEU 65 CO -0.10 -0.24 0.84 -0.75 -0.29 0.00 0.00 176.35 175.81 2dja s LYS 66 N 1.65 4.60 -0.23 1.98 2.47 -1.26 -5.00 119.74 123.95 2dja s LYS 66 Ca -0.02 1.24 -0.29 0.00 -1.56 0.00 0.00 55.97 55.34 2dja s LYS 66 Cb -0.17 -3.34 -0.02 0.00 -1.46 0.00 0.00 37.83 32.84 2dja s LYS 66 CO -0.07 0.33 1.45 1.14 0.16 0.00 0.00 175.35 178.36 2dja s GLN 67 N -0.31 3.94 0.10 4.03 1.03 -1.26 -5.00 119.66 122.19 2dja s GLN 67 Ca 0.41 1.55 0.04 0.00 0.04 0.00 0.00 55.36 57.41 2dja s GLN 67 Cb -0.22 -3.93 -0.04 0.00 0.03 0.00 0.00 33.01 28.85 2dja s GLN 67 CO 0.26 -1.11 -0.11 0.95 -2.54 0.00 0.00 175.29 172.74 2dja s THR 68 N 4.55 1.05 -0.35 3.63 -4.23 -1.26 -5.13 115.64 113.91 2dja s THR 68 Ca 0.64 -1.62 -0.10 0.00 -1.18 0.00 0.00 61.69 59.42 2dja s THR 68 Cb -0.22 -1.36 0.01 0.00 1.34 0.00 0.00 72.50 72.27 2dja s THR 68 CO 0.25 -0.49 0.19 -0.76 -0.54 0.00 0.00 174.62 173.26 2dja s LEU 69 N -2.37 4.45 -0.99 4.79 1.43 -1.26 -5.03 118.68 119.69 2dja s LEU 69 Ca 0.05 -0.77 -0.12 0.00 -1.03 0.00 0.00 54.13 52.27 2dja s LEU 69 Cb -0.04 -2.02 0.25 0.00 0.03 0.00 0.00 46.19 44.40 2dja s LEU 69 CO 0.01 -0.30 0.98 -1.61 0.23 0.00 0.00 176.35 175.67 2dja s GLU 70 N 1.59 3.94 -1.03 1.70 2.02 -1.26 -4.96 118.70 120.69 2dja s GLU 70 Ca 0.03 -2.84 -0.08 0.00 0.02 0.00 0.00 54.97 52.10 2dja s GLU 70 Cb -0.18 -4.54 0.26 0.00 0.10 0.00 0.00 34.13 29.77 2dja s GLU 70 CO 0.07 -1.30 1.00 -1.64 0.02 0.00 0.00 175.26 173.41 2dja s MET 71 N -0.44 3.95 -0.16 1.61 -1.94 -1.26 -4.97 119.30 116.09 2dja s MET 71 Ca 0.26 -3.13 -0.06 0.00 -1.71 0.00 0.00 55.69 51.05 2dja s MET 71 Cb -0.10 -4.43 0.07 0.00 2.01 0.00 0.00 34.83 32.39 2dja s MET 71 CO -0.08 -1.25 0.34 1.21 -0.01 0.00 0.00 175.02 175.23 2dja s ASN 72 N 1.17 -0.07 0.14 3.03 2.47 -1.26 -5.16 114.94 115.26 2dja s ASN 72 Ca 0.28 0.79 0.00 0.00 0.42 0.00 0.00 52.86 54.35 2dja s ASN 72 Cb -0.10 0.94 -0.04 0.00 -1.45 0.00 0.00 41.25 40.59 2dja s ASN 72 CO -0.09 -0.22 0.02 -1.48 -3.72 0.00 0.00 177.10 171.61 2dja s LEU 73 N 2.23 2.00 0.14 3.21 2.34 -1.26 -5.09 118.68 122.26 2dja s LEU 73 Ca -0.03 -1.17 0.00 0.00 0.06 0.00 0.00 54.13 53.00 2dja s LEU 73 Cb -0.11 0.14 0.00 0.00 -0.56 0.00 0.00 46.19 45.66 2dja s LEU 73 CO -0.11 -0.65 0.00 0.35 -1.06 0.00 0.00 176.35 174.89 2dja n THR 74 N -0.13 0.36 -3.84 5.48 -2.24 -1.26 -5.13 114.28 107.52 2dja n THR 74 Ca -0.07 0.12 -0.10 0.00 -2.27 0.00 0.00 64.05 61.73 2dja n THR 74 Cb 0.63 -0.97 -0.08 0.00 -2.10 0.00 0.00 70.33 67.81 2dja n THR 74 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2dja s ASN 75 N -5.29 0.02 0.23 3.42 0.01 -1.26 -5.13 114.94 106.94 2dja s ASN 75 Ca 0.00 -0.36 -0.29 0.00 -0.71 0.00 0.00 52.86 51.50 2dja s ASN 75 Cb 0.00 0.29 -0.15 0.00 0.41 0.00 0.00 41.25 41.80 2dja s ASN 75 CO 0.00 -0.56 0.87 -0.11 -1.51 0.00 0.00 177.10 175.78 2dja n LEU 76 N 0.68 0.65 -4.73 0.60 0.00 -1.26 -4.95 117.00 108.00 2dja n LEU 76 Ca -0.19 1.16 -0.35 0.00 0.00 0.00 0.00 56.01 56.63 2dja n LEU 76 Cb 0.59 -1.15 -0.08 0.00 0.00 0.00 0.00 43.42 42.78 2dja n LEU 76 CO 0.22 -1.95 -0.22 -0.69 0.00 0.00 0.00 177.39 174.75 2dja s VAL 77 N -0.88 5.08 0.19 1.96 1.01 -1.26 -5.08 120.40 121.42 2dja s VAL 77 Ca 0.64 0.06 -0.23 0.00 0.00 0.00 0.00 61.98 62.45 2dja s VAL 77 Cb -0.82 -3.26 0.07 0.00 0.00 0.00 0.00 36.38 32.36 2dja s VAL 77 CO 0.57 0.51 0.97 -1.59 0.00 0.00 0.00 175.10 175.57 2dja s LYS 78 N -0.11 1.35 -1.67 2.72 -2.85 -1.26 -4.66 119.74 113.26 2dja s LYS 78 Ca 0.08 -0.81 -0.12 0.00 -1.00 0.00 0.00 55.97 54.12 2dja s LYS 78 Cb -0.12 0.42 0.12 0.00 -2.06 0.00 0.00 37.83 36.19 2dja s LYS 78 CO 0.01 -0.62 0.31 0.43 0.10 0.00 0.00 175.35 175.57 2dja n SER 79 N -0.85 -0.52 -4.77 0.03 7.64 -1.26 -4.85 113.62 109.03 2dja n SER 79 Ca -0.05 -1.22 -0.37 0.00 1.01 0.00 0.00 58.87 58.24 2dja n SER 79 Cb 0.60 -1.54 -0.02 0.00 -1.01 0.00 0.00 64.21 62.24 2dja n SER 79 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dja s GLY 80 N -3.71 2.78 0.82 0.23 0.00 -1.26 -5.02 107.32 101.16 2dja s GLY 80 Ca 0.44 0.85 -0.11 0.00 0.00 0.00 0.00 44.72 45.90 2dja s GLY 80 CO 0.98 1.32 1.09 2.56 0.00 0.00 0.00 173.10 179.04 2dja s PRO 81 N -2.52 1.88 -0.53 2.90 0.04 -1.26 -4.97 135.00 130.53 2dja s PRO 81 Ca 0.60 1.03 0.02 0.00 0.04 0.00 0.00 61.00 62.69 2dja s PRO 81 Cb -0.27 -1.86 0.45 0.00 0.04 0.00 0.00 34.50 32.86 2dja s PRO 81 CO 0.33 -1.87 1.70 -1.13 0.04 0.00 0.00 177.00 176.06 2dja n SER 82 N -3.66 6.59 -4.57 6.66 3.41 -1.26 -4.99 113.62 115.80 2dja n SER 82 Ca 0.08 -3.78 -0.32 0.00 -0.26 0.00 0.00 58.87 54.60 2dja n SER 82 Cb 0.54 -0.73 -0.11 0.00 -0.26 0.00 0.00 64.21 63.65 2dja n SER 82 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dja s SER 83 N -2.50 4.50 0.00 4.04 0.01 -1.26 -5.18 113.70 113.31 2dja s SER 83 Ca 0.59 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.68 2dja s SER 83 Cb 0.47 -1.02 0.00 0.00 0.21 0.00 0.00 66.02 65.68 2dja s SER 83 CO -0.01 0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.53