#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 -0.36 0.32 1.61 0.15 -1.26 -5.19 113.70 108.98 2dja s SER 2 Ca 0.00 0.59 -0.19 0.00 0.70 0.00 0.00 55.95 57.05 2dja s SER 2 Cb 0.00 1.05 0.05 0.00 -1.71 0.00 0.00 66.02 65.41 2dja s SER 2 CO 0.00 -0.09 0.80 -0.44 1.20 0.00 0.00 173.24 174.70 2dja s SER 3 N 1.06 -0.09 0.00 5.45 0.01 -1.26 -5.18 113.70 113.69 2dja s SER 3 Ca -0.06 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.31 2dja s SER 3 Cb -0.03 0.76 0.00 0.00 0.21 0.00 0.00 66.02 66.96 2dja s SER 3 CO -0.13 -1.47 0.00 0.61 0.41 0.00 0.00 173.24 172.66 2dja n GLY 4 N -0.52 5.31 3.63 3.44 0.00 -1.26 -5.18 105.19 110.61 2dja n GLY 4 Ca -0.06 -0.79 -0.04 0.00 0.00 0.00 0.00 46.02 45.13 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 1.01 -0.85 -0.26 1.61 0.01 -1.26 -5.15 113.70 108.81 2dja s SER 5 Ca 0.00 1.30 -0.04 0.00 1.31 0.00 0.00 55.95 58.53 2dja s SER 5 Cb 0.00 1.51 0.14 0.00 0.21 0.00 0.00 66.02 67.88 2dja s SER 5 CO 0.00 -0.20 0.49 -0.44 0.41 0.00 0.00 173.24 173.50 2dja s SER 6 N 1.82 -0.57 -0.47 2.44 0.01 -1.26 -5.09 113.70 110.59 2dja s SER 6 Ca -0.09 0.75 0.03 0.00 1.31 0.00 0.00 55.95 57.95 2dja s SER 6 Cb -0.06 1.66 0.20 0.00 0.21 0.00 0.00 66.02 68.03 2dja s SER 6 CO -0.18 -0.26 0.83 -0.83 0.41 0.00 0.00 173.24 173.20 2dja s GLY 7 N 2.71 -1.44 -0.13 3.44 0.00 -1.26 -5.01 107.32 105.64 2dja s GLY 7 Ca 0.11 -0.10 -0.00 0.00 0.00 0.00 0.00 44.72 44.72 2dja s GLY 7 CO -0.17 3.84 1.81 1.55 0.00 0.00 0.00 173.10 180.13 2dja n VAL 8 N 2.92 2.12 -1.17 1.40 3.14 -1.26 -4.96 118.33 120.53 2dja n VAL 8 Ca 0.16 -0.85 -0.37 0.00 -2.96 0.00 0.00 64.34 60.31 2dja n VAL 8 Cb 0.58 -1.30 0.04 0.00 -1.06 0.00 0.00 33.84 32.11 2dja n VAL 8 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2dja n GLU 9 N 0.80 0.10 -2.09 1.45 1.02 -1.26 -4.90 120.64 115.75 2dja n GLU 9 Ca 0.13 0.05 -0.34 0.00 -0.02 0.00 0.00 57.16 56.97 2dja n GLU 9 Cb 0.58 -1.32 0.02 0.00 -0.02 0.00 0.00 31.44 30.70 2dja n GLU 9 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2dja s PRO 10 N -1.98 3.17 -0.18 3.49 0.04 -1.26 -5.04 135.00 133.25 2dja s PRO 10 Ca 0.55 1.53 -0.08 0.00 0.04 0.00 0.00 61.00 63.05 2dja s PRO 10 Cb -0.35 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.16 2dja s PRO 10 CO 0.68 -0.98 0.10 0.08 0.04 0.00 0.00 177.00 176.92 2dja s VAL 11 N -1.97 5.17 0.19 -0.36 1.01 -1.26 -5.07 120.40 118.11 2dja s VAL 11 Ca 0.71 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 62.48 2dja s VAL 11 Cb -0.23 -3.33 -0.09 0.00 0.00 0.00 0.00 36.38 32.74 2dja s VAL 11 CO 0.32 0.48 1.31 -2.16 0.00 0.00 0.00 175.10 175.05 2dja s PRO 12 N 0.10 4.38 -0.21 2.72 0.04 -1.26 -4.93 135.00 135.85 2dja s PRO 12 Ca 0.08 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 62.88 2dja s PRO 12 Cb -0.12 -3.20 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 2dja s PRO 12 CO -0.00 -0.27 2.14 0.16 0.04 0.00 0.00 177.00 179.07 2dja s ASP 13 N 0.42 5.60 0.10 6.66 -4.77 -1.26 -4.96 116.67 118.46 2dja s ASP 13 Ca 0.57 1.89 0.07 0.00 -3.30 0.00 0.00 52.55 51.78 2dja s ASP 13 Cb -0.36 -2.51 -0.03 0.00 -1.09 0.00 0.00 42.92 38.92 2dja s ASP 13 CO 0.37 -1.84 -0.18 0.28 0.70 0.00 0.00 175.17 174.50 2dja s THR 14 N 7.76 1.48 -0.05 2.11 -1.32 -1.26 -5.06 115.64 119.31 2dja s THR 14 Ca 0.97 -1.52 -0.21 0.00 -1.21 0.00 0.00 61.69 59.72 2dja s THR 14 Cb -0.32 -1.42 -0.31 0.00 -1.51 0.00 0.00 72.50 68.93 2dja s THR 14 CO 0.35 -0.18 0.86 1.12 -2.21 0.00 0.00 174.62 174.56 2dja h HIS 15 N 4.00 0.58 -1.52 9.09 2.07 -2.06 -3.42 115.15 123.88 2dja h HIS 15 Ca -0.43 -0.42 -0.41 0.00 -2.85 0.00 0.00 60.37 56.26 2dja h HIS 15 Cb 1.19 -0.02 -0.01 0.00 2.57 0.00 0.00 27.41 31.13 2dja h HIS 15 CO 0.63 1.37 1.26 -0.51 -3.07 0.00 0.00 177.93 177.61 2dja s LEU 16 N -7.81 3.28 -0.74 6.12 1.43 -1.26 -4.91 118.68 114.80 2dja s LEU 16 Ca -0.14 0.51 -0.16 0.00 -1.03 0.00 0.00 54.13 53.31 2dja s LEU 16 Cb 0.02 -2.52 0.17 0.00 0.03 0.00 0.00 46.19 43.88 2dja s LEU 16 CO 0.84 -2.79 0.75 -0.60 0.23 0.00 0.00 176.35 174.77 2dja s ARG 17 N 7.75 3.37 -0.12 1.70 6.06 -1.26 -4.76 118.95 131.68 2dja s ARG 17 Ca 0.83 -1.99 -0.07 0.00 -2.50 0.00 0.00 55.73 51.99 2dja s ARG 17 Cb -0.14 -4.44 0.03 0.00 0.06 0.00 0.00 34.95 30.46 2dja s ARG 17 CO 0.19 -1.41 0.15 0.41 -2.50 0.00 0.00 175.30 172.14 2dja n GLY 18 N 4.70 -4.36 0.07 8.12 0.00 -1.26 -4.99 105.19 107.47 2dja n GLY 18 Ca 0.05 0.93 -0.13 0.00 0.00 0.00 0.00 46.02 46.87 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 2.47 1.49 -2.87 -0.61 2.04 -2.01 -3.47 117.51 114.54 2dja h ILE 19 Ca -0.33 -2.17 -0.30 0.00 1.00 0.00 0.00 64.86 63.05 2dja h ILE 19 Cb 0.75 2.86 0.16 0.00 -0.74 0.00 0.00 36.82 39.85 2dja h ILE 19 CO 0.01 0.50 0.05 0.35 0.00 0.00 0.00 178.15 179.06 2dja n THR 20 N -4.61 0.00 -2.68 -0.27 -2.24 -1.26 -4.48 114.28 98.74 2dja n THR 20 Ca -0.12 -0.31 -0.35 0.00 -2.27 0.00 0.00 64.05 61.01 2dja n THR 20 Cb 0.45 -1.11 -0.05 0.00 -2.10 0.00 0.00 70.33 67.52 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 2.10 -0.24 -0.52 0.00 3.38 -1.90 -2.84 115.31 115.29 2dja h LEU 22 Ca -0.49 0.02 0.08 0.00 0.09 0.00 0.00 57.88 57.57 2dja h LEU 22 Cb 1.20 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.96 2dja h LEU 22 CO 0.61 -0.13 0.17 0.44 0.09 0.00 0.00 178.44 179.61 2dja h ASP 23 N -0.21 0.14 -3.58 -0.43 5.19 -1.98 -3.35 116.42 112.20 2dja h ASP 23 Ca -0.02 0.07 -0.69 0.00 -0.62 0.00 0.00 57.03 55.77 2dja h ASP 23 Cb 0.17 0.07 -0.33 0.00 0.18 0.00 0.00 39.33 39.42 2dja h ASP 23 CO 0.01 0.10 -0.59 -1.00 -3.12 0.00 0.00 179.24 174.64 2dja s HIS 24 N -6.13 3.45 -0.06 4.55 3.76 -1.19 -4.96 115.29 114.71 2dja s HIS 24 Ca -0.13 -2.12 -0.00 0.00 -0.15 0.00 0.00 55.06 52.66 2dja s HIS 24 Cb 0.15 -2.81 0.05 0.00 1.11 0.00 0.00 32.58 31.09 2dja s HIS 24 CO 0.73 -0.89 1.76 -0.85 -0.85 0.00 0.00 174.74 174.64 2dja n GLU 25 N 4.64 1.16 0.00 1.40 0.28 -1.08 -1.92 120.64 125.12 2dja n GLU 25 Ca -0.07 -0.33 0.00 0.00 -0.16 0.00 0.00 57.16 56.60 2dja n GLU 25 Cb 0.42 -1.13 0.00 0.00 1.43 0.00 0.00 31.44 32.16 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 1.00 1.86 -4.69 -1.84 3.02 -1.26 -4.88 115.26 108.47 2dja n ASN 26 Ca 0.06 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.27 2dja n ASN 26 Cb 0.54 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.63 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 -1.50 4.09 -0.22 3.52 0.41 -1.22 -4.92 118.70 118.85 2dja s GLU 27 Ca 0.00 -0.27 -0.29 0.00 -0.41 0.00 0.00 54.97 54.00 2dja s GLU 27 Cb 0.00 -3.33 0.00 0.00 -1.78 0.00 0.00 34.13 29.02 2dja s GLU 27 CO 0.00 0.30 1.10 0.15 -0.49 0.00 0.00 175.26 176.32 2dja s LYS 28 N 0.34 4.24 -0.38 1.61 1.02 -1.26 -1.04 119.74 124.27 2dja s LYS 28 Ca 0.06 1.42 -0.45 0.00 0.02 0.00 0.00 55.97 57.02 2dja s LYS 28 Cb -0.12 -3.68 -0.20 0.00 -0.52 0.00 0.00 37.83 33.32 2dja s LYS 28 CO -0.01 -0.67 1.50 1.33 -0.92 0.00 0.00 175.35 176.58 2dja n VAL 29 N 5.38 0.02 -0.99 3.17 0.24 -1.26 -4.82 118.33 120.07 2dja n VAL 29 Ca 0.13 -0.00 0.07 0.00 -2.04 0.00 0.00 64.34 62.49 2dja n VAL 29 Cb 0.46 -0.45 0.09 0.00 -1.47 0.00 0.00 33.84 32.46 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 3.57 1.90 -4.07 -1.34 0.23 -0.93 -4.88 115.26 109.74 2dja n ASN 30 Ca 0.28 -2.68 -0.08 0.00 -0.53 0.00 0.00 54.58 51.58 2dja n ASN 30 Cb -0.02 -0.31 -0.10 0.00 -2.08 0.00 0.00 39.78 37.28 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 -2.06 0.72 -0.33 -3.83 -1.94 -0.31 -4.32 119.30 107.22 2dja s MET 31 Ca 0.21 -1.23 0.02 0.00 -1.71 0.00 0.00 55.69 52.98 2dja s MET 31 Cb 0.18 0.24 0.09 0.00 2.01 0.00 0.00 34.83 37.35 2dja s MET 31 CO 0.02 -0.17 0.04 -0.47 -0.01 0.00 0.00 175.02 174.43 2dja s TYR 32 N -3.94 3.62 -0.46 -0.03 5.04 -1.26 -1.72 117.35 118.60 2dja s TYR 32 Ca 0.11 -2.72 -0.28 0.00 -2.44 0.00 0.00 57.07 51.74 2dja s TYR 32 Cb 0.07 -2.74 -0.01 0.00 0.35 0.00 0.00 41.96 39.63 2dja s TYR 32 CO -0.07 -0.93 1.76 0.00 -1.34 0.00 0.00 175.55 174.97 2dja h VAL 34 N 6.78 1.26 -0.32 0.00 2.07 -1.17 0.11 116.25 124.99 2dja h VAL 34 Ca -0.29 -1.08 0.03 0.00 0.82 0.00 0.00 66.70 66.18 2dja h VAL 34 Cb 1.16 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 2dja h VAL 34 CO 1.12 0.39 -0.19 -0.24 0.02 0.00 0.00 177.57 178.67 2dja n SER 35 N -4.25 -0.34 -1.64 0.57 2.88 -1.22 -1.14 113.62 108.49 2dja n SER 35 Ca 0.03 1.12 -0.14 0.00 -1.33 0.00 0.00 58.87 58.55 2dja n SER 35 Cb 0.31 -0.35 0.17 0.00 -0.75 0.00 0.00 64.21 63.59 2dja n SER 35 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2dja n ASP 36 N -3.69 3.52 -3.76 -3.46 5.75 -1.24 -4.94 116.55 108.73 2dja n ASP 36 Ca 0.01 -3.75 -0.27 0.00 -0.01 0.00 0.00 54.79 50.77 2dja n ASP 36 Cb 0.08 -0.70 -0.07 0.00 -1.03 0.00 0.00 41.12 39.41 2dja n ASP 36 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2dja n ASP 37 N -1.08 -0.35 -4.33 -1.12 5.68 -0.10 -4.88 116.55 110.37 2dja n ASP 37 Ca 0.44 -0.92 -0.26 0.00 -0.50 0.00 0.00 54.79 53.56 2dja n ASP 37 Cb 1.16 -1.16 -0.12 0.00 -1.14 0.00 0.00 41.12 39.86 2dja n ASP 37 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 2dja s GLN 38 N -5.85 1.26 0.19 0.11 0.74 0.19 -4.94 119.66 111.36 2dja s GLN 38 Ca 0.31 -1.27 -0.28 0.00 0.05 0.00 0.00 55.36 54.17 2dja s GLN 38 Cb -0.18 -1.58 -0.08 0.00 1.10 0.00 0.00 33.01 32.27 2dja s GLN 38 CO 0.74 0.36 0.86 -0.51 -0.55 0.00 0.00 175.29 176.19 2dja s LEU 39 N -2.09 4.60 0.16 3.68 1.43 -1.26 0.80 118.68 126.00 2dja s LEU 39 Ca 0.11 1.77 -0.03 0.00 -1.03 0.00 0.00 54.13 54.94 2dja s LEU 39 Cb -0.09 -3.44 -0.03 0.00 0.03 0.00 0.00 46.19 42.65 2dja s LEU 39 CO 0.05 0.16 0.14 0.27 0.23 0.00 0.00 176.35 177.21 2dja s ILE 40 N -1.01 0.07 0.35 -0.59 -4.36 -0.70 -4.85 121.20 110.10 2dja s ILE 40 Ca 0.39 -1.78 0.06 0.00 -0.26 0.00 0.00 60.65 59.06 2dja s ILE 40 Cb -0.24 -2.09 0.06 0.00 1.25 0.00 0.00 42.46 41.44 2dja s ILE 40 CO 0.29 -0.32 0.47 0.00 0.24 0.00 0.00 174.94 175.62 2dja h ALA 42 N 0.28 -0.28 -0.96 0.00 0.00 -1.94 -2.87 119.26 113.50 2dja h ALA 42 Ca -0.16 -0.11 0.15 0.00 0.00 0.00 0.00 54.91 54.79 2dja h ALA 42 Cb 0.74 0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.56 2dja h ALA 42 CO 0.23 -0.59 0.61 -0.07 0.00 0.00 0.00 179.25 179.43 2dja h LEU 43 N -0.41 0.77 -2.09 0.00 3.38 -1.96 0.38 115.31 115.37 2dja h LEU 43 Ca -0.03 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.08 2dja h LEU 43 Cb 0.31 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2dja h LEU 43 CO 0.05 0.36 0.33 0.00 0.09 0.00 0.00 178.44 179.27 2dja n LYS 45 N -3.74 1.10 0.00 0.00 3.00 0.69 -1.05 118.16 118.16 2dja n LYS 45 Ca 0.04 0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.39 2dja n LYS 45 Cb 0.48 -1.41 0.00 0.00 0.00 0.00 0.00 35.03 34.09 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 -2.76 0.80 -1.64 3.14 4.32 0.10 -4.37 117.00 116.60 2dja n LEU 46 Ca -0.29 0.48 -0.11 0.00 -0.02 0.00 0.00 56.01 56.07 2dja n LEU 46 Cb 0.98 -0.24 0.08 0.00 -1.62 0.00 0.00 43.42 42.62 2dja n LEU 46 CO 0.30 -0.24 0.21 1.33 -1.22 0.00 0.00 177.39 177.77 2dja n VAL 47 N -1.22 2.15 -0.08 4.08 0.24 -0.31 -4.96 118.33 118.22 2dja n VAL 47 Ca 0.00 -3.59 0.00 0.00 -2.04 0.00 0.00 64.34 58.71 2dja n VAL 47 Cb 0.00 -0.48 0.00 0.00 -1.47 0.00 0.00 33.84 31.89 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 -0.75 2.77 0.09 7.63 0.00 0.30 -4.90 105.19 110.32 2dja n GLY 48 Ca 0.30 -1.72 -0.12 0.00 0.00 0.00 0.00 46.02 44.48 2dja n GLY 48 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2dja n ARG 49 N 0.00 0.67 -1.08 1.61 0.63 -1.14 -4.59 116.66 112.75 2dja n ARG 49 Ca 0.00 0.09 -0.17 0.00 -0.92 0.00 0.00 57.85 56.85 2dja n ARG 49 Cb 0.00 -1.38 -0.14 0.00 0.45 0.00 0.00 32.46 31.39 2dja n ARG 49 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2dja n HIS 50 N -2.96 0.42 0.05 -0.14 8.25 -0.21 -4.32 115.22 116.32 2dja n HIS 50 Ca -0.32 -1.73 -0.22 0.00 -0.26 0.00 0.00 57.72 55.19 2dja n HIS 50 Cb 0.88 -1.69 -0.15 0.00 1.12 0.00 0.00 29.99 30.16 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 3.24 0.34 0.16 -0.41 3.08 -1.75 -3.36 114.38 115.69 2dja h ARG 51 Ca 0.29 -0.59 -0.31 0.00 0.07 0.00 0.00 59.98 59.44 2dja h ARG 51 Cb 1.30 0.22 0.01 0.00 0.08 0.00 0.00 29.97 31.58 2dja h ARG 51 CO 0.47 1.28 -1.49 0.38 -1.07 0.00 0.00 179.97 179.54 2dja h ASP 52 N -0.12 0.54 -2.00 7.04 2.03 -1.90 -3.47 116.42 118.54 2dja h ASP 52 Ca -0.29 -0.67 -0.48 0.00 -0.73 0.00 0.00 57.03 54.86 2dja h ASP 52 Cb 1.91 -0.18 0.24 0.00 -0.83 0.00 0.00 39.33 40.48 2dja h ASP 52 CO 0.14 1.54 -1.58 1.41 -1.03 0.00 0.00 179.24 179.72 2dja n HIS 53 N -3.56 -1.61 -3.57 4.15 8.25 -1.26 -4.95 115.22 112.66 2dja n HIS 53 Ca -0.16 0.30 -0.35 0.00 -0.26 0.00 0.00 57.72 57.25 2dja n HIS 53 Cb 1.06 -1.52 -0.05 0.00 1.12 0.00 0.00 29.99 30.59 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 -2.95 3.77 -0.02 -0.41 2.00 -1.26 -4.96 119.66 115.83 2dja s GLN 54 Ca 0.49 0.19 -0.02 0.00 -2.00 0.00 0.00 55.36 54.02 2dja s GLN 54 Cb -0.06 -3.01 0.01 0.00 0.80 0.00 0.00 33.01 30.74 2dja s GLN 54 CO 0.67 0.57 0.06 0.14 -0.50 0.00 0.00 175.29 176.23 2dja s VAL 55 N -1.38 0.00 -0.42 1.34 -7.23 -1.26 -0.71 120.40 110.74 2dja s VAL 55 Ca 0.32 -0.04 -0.01 0.00 -1.81 0.00 0.00 61.98 60.45 2dja s VAL 55 Cb -0.14 -0.10 0.12 0.00 0.56 0.00 0.00 36.38 36.81 2dja s VAL 55 CO 0.18 -0.02 0.20 0.00 -0.31 0.00 0.00 175.10 175.15 2dja s ALA 56 N -0.03 3.16 0.26 1.32 0.00 -1.04 -4.95 121.76 120.48 2dja s ALA 56 Ca -0.01 -2.67 -0.27 0.00 0.00 0.00 0.00 51.96 49.01 2dja s ALA 56 Cb -0.01 -2.32 -0.15 0.00 0.00 0.00 0.00 23.12 20.64 2dja s ALA 56 CO 0.00 -1.82 0.72 0.45 0.00 0.00 0.00 175.76 175.11 2dja n SER 57 N 4.29 -0.16 0.04 0.00 2.88 -1.26 -4.03 113.62 115.37 2dja n SER 57 Ca 0.01 1.12 -0.20 0.00 -1.33 0.00 0.00 58.87 58.48 2dja n SER 57 Cb 0.40 -1.11 -0.13 0.00 -0.75 0.00 0.00 64.21 62.63 2dja n SER 57 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2dja h LEU 58 N 1.39 0.58 0.64 2.46 3.38 -1.98 -3.37 115.31 118.42 2dja h LEU 58 Ca -0.34 -0.86 -0.03 0.00 0.09 0.00 0.00 57.88 56.74 2dja h LEU 58 Cb 1.39 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.97 2dja h LEU 58 CO 0.58 1.38 -0.31 -1.13 0.09 0.00 0.00 178.44 179.05 2dja h ASN 59 N -0.13 -0.73 -3.58 -0.43 -0.00 -1.90 -3.47 115.58 105.33 2dja h ASN 59 Ca -0.13 0.03 -0.21 0.00 -0.00 0.00 0.00 56.30 55.99 2dja h ASN 59 Cb 1.59 0.19 0.08 0.00 -0.00 0.00 0.00 38.32 40.17 2dja h ASN 59 CO 0.16 -0.48 -0.36 -0.67 -0.00 0.00 0.00 177.43 176.08 2dja n ASP 60 N -4.58 -4.09 -3.61 1.15 2.03 -1.26 -5.02 116.55 101.17 2dja n ASP 60 Ca -0.11 -0.29 -0.05 0.00 0.52 0.00 0.00 54.79 54.86 2dja n ASP 60 Cb 0.34 -2.89 -0.04 0.00 -0.72 0.00 0.00 41.12 37.81 2dja n ASP 60 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dja s ARG 61 N -5.60 0.28 0.49 -0.67 1.04 -1.26 -5.18 118.95 108.05 2dja s ARG 61 Ca 0.28 0.03 0.04 0.00 -1.04 0.00 0.00 55.73 55.04 2dja s ARG 61 Cb -0.12 0.13 -0.01 0.00 -2.04 0.00 0.00 34.95 32.90 2dja s ARG 61 CO 0.38 -0.09 0.13 0.12 -0.04 0.00 0.00 175.30 175.80 2dja s PHE 62 N -1.31 2.01 -0.09 5.89 5.36 -1.26 -5.10 117.98 123.49 2dja s PHE 62 Ca 0.06 -0.83 -0.09 0.00 -0.96 0.00 0.00 56.93 55.10 2dja s PHE 62 Cb -0.01 -1.77 -0.03 0.00 -0.34 0.00 0.00 43.02 40.88 2dja s PHE 62 CO -0.04 0.07 -0.18 0.39 -1.46 0.00 0.00 175.22 174.00 2dja n GLU 63 N -1.35 0.27 -3.96 10.12 -0.58 -1.26 -4.93 120.64 118.95 2dja n GLU 63 Ca -0.10 0.11 -0.33 0.00 -0.42 0.00 0.00 57.16 56.42 2dja n GLU 63 Cb 0.66 -0.95 -0.14 0.00 -0.57 0.00 0.00 31.44 30.44 2dja n GLU 63 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2dja s LYS 64 N -2.02 1.80 0.40 3.49 1.02 -1.26 -5.09 119.74 118.07 2dja s LYS 64 Ca -0.15 -1.73 0.02 0.00 0.02 0.00 0.00 55.97 54.14 2dja s LYS 64 Cb 0.02 -3.24 0.02 0.00 -0.52 0.00 0.00 37.83 34.11 2dja s LYS 64 CO 0.22 -0.88 0.18 1.47 -0.92 0.00 0.00 175.35 175.41 2dja n LEU 65 N 4.39 0.00 -4.49 3.17 -0.00 -1.26 -4.71 117.00 114.10 2dja n LEU 65 Ca -0.02 -2.23 -0.40 0.00 -0.00 0.00 0.00 56.01 53.36 2dja n LEU 65 Cb 0.42 0.09 -0.08 0.00 -0.00 0.00 0.00 43.42 43.85 2dja n LEU 65 CO 0.25 -0.43 -0.22 1.17 -0.00 0.00 0.00 177.39 178.16 2dja n LYS 66 N -1.25 -0.75 -0.76 1.47 4.81 -1.26 -4.83 118.16 115.58 2dja n LYS 66 Ca -0.07 0.13 -0.32 0.00 -0.87 0.00 0.00 58.31 57.17 2dja n LYS 66 Cb 0.47 -4.48 0.13 0.00 0.02 0.00 0.00 35.03 31.18 2dja n LYS 66 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2dja n GLN 67 N -4.13 -0.36 0.00 1.64 6.02 -1.26 -4.96 117.38 114.32 2dja n GLN 67 Ca 0.04 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 2dja n GLN 67 Cb 0.49 -1.98 0.00 0.00 1.02 0.00 0.00 30.24 29.78 2dja n GLN 67 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 2dja n THR 68 N -3.77 0.00 -3.32 5.09 5.66 -1.26 -5.01 114.28 111.67 2dja n THR 68 Ca 0.08 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.83 2dja n THR 68 Cb 0.53 -0.24 -0.05 0.00 -1.55 0.00 0.00 70.33 69.02 2dja n THR 68 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2dja n LEU 69 N -1.41 -0.48 -4.69 1.09 -0.00 -1.26 -4.84 117.00 105.41 2dja n LEU 69 Ca 0.00 -0.66 -0.35 0.00 -0.00 0.00 0.00 56.01 55.00 2dja n LEU 69 Cb 0.16 -1.03 -0.09 0.00 -0.00 0.00 0.00 43.42 42.46 2dja n LEU 69 CO 0.00 0.06 -0.20 -1.83 -0.00 0.00 0.00 177.39 175.42 2dja s GLU 70 N -5.00 4.11 -0.14 1.47 4.04 -1.26 -5.08 118.70 116.84 2dja s GLU 70 Ca 0.48 -0.26 -0.10 0.00 0.04 0.00 0.00 54.97 55.13 2dja s GLU 70 Cb -0.28 -3.37 0.04 0.00 0.02 0.00 0.00 34.13 30.54 2dja s GLU 70 CO 0.59 0.26 0.34 0.00 -1.84 0.00 0.00 175.26 174.61 2dja s MET 71 N 0.46 0.35 0.13 -4.83 0.23 -1.26 -5.17 119.30 109.21 2dja s MET 71 Ca 0.07 0.59 0.06 0.00 -1.03 0.00 0.00 55.69 55.37 2dja s MET 71 Cb -0.12 0.06 -0.04 0.00 -1.53 0.00 0.00 34.83 33.20 2dja s MET 71 CO -0.01 -0.11 -0.14 0.54 -2.03 0.00 0.00 175.02 173.27 2dja s ASN 72 N 0.81 2.04 -0.16 -1.18 2.20 -1.26 -5.07 114.94 112.32 2dja s ASN 72 Ca -0.05 -0.83 -0.06 0.00 -0.94 0.00 0.00 52.86 50.98 2dja s ASN 72 Cb -0.06 -0.07 -0.08 0.00 -2.00 0.00 0.00 41.25 39.04 2dja s ASN 72 CO -0.06 -0.15 -0.19 0.18 -2.94 0.00 0.00 177.10 173.94 2dja n LEU 73 N 0.47 1.55 -4.47 3.54 4.77 -1.26 -5.00 117.00 116.61 2dja n LEU 73 Ca -0.15 0.14 -0.41 0.00 -0.03 0.00 0.00 56.01 55.56 2dja n LEU 73 Cb 0.57 -0.49 -0.07 0.00 -2.33 0.00 0.00 43.42 41.10 2dja n LEU 73 CO 0.28 0.43 -0.16 0.35 -1.33 0.00 0.00 177.39 176.96 2dja n THR 74 N -3.56 -0.29 -2.23 -5.08 -2.24 -1.26 -4.78 114.28 94.84 2dja n THR 74 Ca -0.31 -0.04 -0.35 0.00 -2.27 0.00 0.00 64.05 61.07 2dja n THR 74 Cb 0.74 -0.77 -0.04 0.00 -2.10 0.00 0.00 70.33 68.16 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 -3.35 5.62 0.38 3.42 2.47 -1.26 -4.95 114.94 117.26 2dja s ASN 75 Ca 0.75 -0.48 0.08 0.00 0.42 0.00 0.00 52.86 53.63 2dja s ASN 75 Cb -0.43 -2.55 -0.07 0.00 -1.45 0.00 0.00 41.25 36.75 2dja s ASN 75 CO 1.01 -2.24 0.00 -0.76 -3.72 0.00 0.00 177.10 171.39 2dja s LEU 76 N 8.05 2.89 0.19 3.21 1.02 -1.26 -5.15 118.68 127.62 2dja s LEU 76 Ca 0.59 -1.21 0.05 0.00 0.02 0.00 0.00 54.13 53.57 2dja s LEU 76 Cb -0.07 -1.08 -0.04 0.00 0.02 0.00 0.00 46.19 45.02 2dja s LEU 76 CO 0.07 -0.35 0.19 0.68 0.02 0.00 0.00 176.35 176.96 2dja s VAL 77 N -2.63 4.67 -0.10 -1.59 -7.23 -1.26 -5.10 120.40 107.16 2dja s VAL 77 Ca 0.35 -1.09 -0.19 0.00 -1.81 0.00 0.00 61.98 59.24 2dja s VAL 77 Cb 0.05 -3.43 -0.04 0.00 0.56 0.00 0.00 36.38 33.52 2dja s VAL 77 CO 0.18 -0.18 0.51 -0.54 -0.31 0.00 0.00 175.10 174.76 2dja s LYS 78 N -3.37 4.33 0.35 4.82 -0.14 -1.26 -5.05 119.74 119.42 2dja s LYS 78 Ca 0.32 0.51 -0.06 0.00 -1.36 0.00 0.00 55.97 55.38 2dja s LYS 78 Cb -0.10 -3.42 0.01 0.00 -1.68 0.00 0.00 37.83 32.64 2dja s LYS 78 CO 0.25 0.18 0.54 -1.12 -0.76 0.00 0.00 175.35 174.45 2dja s SER 79 N 0.52 0.64 -0.40 2.83 0.01 -1.26 -5.12 113.70 110.93 2dja s SER 79 Ca 0.27 -1.37 0.04 0.00 1.31 0.00 0.00 55.95 56.20 2dja s SER 79 Cb -0.16 0.70 0.29 0.00 0.21 0.00 0.00 66.02 67.07 2dja s SER 79 CO 0.12 -1.37 1.17 0.61 0.41 0.00 0.00 173.24 174.17 2dja n GLY 80 N -0.54 -0.64 1.73 3.44 0.00 -1.26 -5.16 105.19 102.75 2dja n GLY 80 Ca -0.01 0.50 -0.15 0.00 0.00 0.00 0.00 46.02 46.36 2dja n GLY 80 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dja n PRO 81 N 0.98 -2.08 -3.22 1.61 -0.04 -1.26 -5.10 135.00 125.90 2dja n PRO 81 Ca 0.03 -0.87 0.04 0.00 -0.04 0.00 0.00 63.50 62.66 2dja n PRO 81 Cb 0.70 -0.81 -0.03 0.00 -0.04 0.00 0.00 33.50 33.32 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 -2.97 -0.46 0.14 3.54 0.01 -1.26 -5.18 113.70 107.52 2dja s SER 82 Ca 0.35 0.41 -0.24 0.00 1.31 0.00 0.00 55.95 57.78 2dja s SER 82 Cb -0.03 1.44 0.08 0.00 0.21 0.00 0.00 66.02 67.71 2dja s SER 82 CO 0.27 -0.09 1.09 -0.94 0.41 0.00 0.00 173.24 173.98 2dja s SER 83 N 2.71 -0.02 0.00 2.44 1.04 -1.26 -5.39 113.70 113.22 2dja s SER 83 Ca -0.01 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 55.88 2dja s SER 83 Cb -0.08 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.46 2dja s SER 83 CO -0.14 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 173.87