#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rja s GLU 2 N 0.00 0.60 -0.19 4.33 -6.30 -1.18 -5.04 118.70 110.91 1rja s GLU 2 Ca 0.00 0.42 -0.22 0.00 -2.50 0.00 0.00 54.97 52.67 1rja s GLU 2 Cb 0.00 0.22 -0.20 0.00 0.00 0.00 0.00 34.13 34.14 1rja s GLU 2 CO 0.00 -1.07 0.30 -1.00 0.02 0.00 0.00 175.26 173.51 1rja h PRO 3 N 7.86 0.02 -3.39 4.30 0.13 -1.82 -1.02 132.00 138.07 1rja h PRO 3 Ca -0.00 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1rja h PRO 3 Cb 1.19 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1rja h PRO 3 CO 0.15 1.01 -0.24 1.87 -0.23 0.00 0.00 178.00 180.56 1rja n TRP 4 N -4.41 -0.80 -2.53 1.56 -0.00 -1.26 -3.38 117.44 106.61 1rja n TRP 4 Ca -0.29 0.40 -0.43 0.00 -0.00 0.00 0.00 57.50 57.18 1rja n TRP 4 Cb 0.68 -1.97 -0.02 0.00 -0.00 0.00 0.00 31.31 29.99 1rja n TRP 4 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 177.69 177.10 1rja s PHE 5 N -0.24 3.17 -0.33 5.87 -0.71 -1.26 -2.88 117.98 121.60 1rja s PHE 5 Ca -0.02 1.27 -0.01 0.00 -1.04 0.00 0.00 56.93 57.13 1rja s PHE 5 Cb 0.00 -3.37 0.11 0.00 -1.21 0.00 0.00 43.02 38.55 1rja s PHE 5 CO 0.15 -1.06 0.14 -0.06 -1.34 0.00 0.00 175.22 173.06 1rja s PHE 6 N 2.86 1.34 -0.99 3.49 0.08 0.32 -4.91 117.98 120.17 1rja s PHE 6 Ca 0.51 -1.66 0.03 0.00 0.12 0.00 0.00 56.93 55.94 1rja s PHE 6 Cb -0.20 -1.47 0.18 0.00 -0.57 0.00 0.00 43.02 40.96 1rja s PHE 6 CO 0.15 -0.85 0.83 0.41 -0.10 0.00 0.00 175.22 175.66 1rja n GLY 7 N 4.61 1.55 0.00 4.36 0.00 -1.26 -3.36 105.19 111.09 1rja n GLY 7 Ca 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1rja n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rja s ILE 9 N -0.40 4.38 0.53 0.00 -4.36 -1.21 -5.04 121.20 115.09 1rja s ILE 9 Ca 0.00 1.96 -0.11 0.00 -0.26 0.00 0.00 60.65 62.24 1rja s ILE 9 Cb 0.00 -4.25 -0.05 0.00 1.25 0.00 0.00 42.46 39.40 1rja s ILE 9 CO 0.00 0.30 0.93 -0.44 0.24 0.00 0.00 174.94 175.97 1rja s SER 10 N 0.06 6.38 0.55 4.36 0.01 -1.26 -4.78 113.70 119.03 1rja s SER 10 Ca 0.48 1.33 0.25 0.00 1.31 0.00 0.00 55.95 59.32 1rja s SER 10 Cb -0.25 -2.42 1.48 0.00 0.21 0.00 0.00 66.02 65.05 1rja s SER 10 CO 0.31 -0.67 2.06 -0.09 0.41 0.00 0.00 173.24 175.26 1rja h ARG 11 N 0.35 0.00 -0.05 12.44 2.43 -1.97 0.92 114.38 128.51 1rja h ARG 11 Ca -0.46 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.60 1rja h ARG 11 Cb 1.19 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 1rja h ARG 11 CO 0.62 0.00 -0.50 1.03 -1.51 0.00 0.00 179.97 179.61 1rja h SER 12 N 0.00 0.13 0.01 -3.80 0.87 -2.00 -2.93 113.55 105.82 1rja h SER 12 Ca 0.14 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1rja h SER 12 Cb 0.62 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1rja h SER 12 CO -0.00 0.61 -0.00 -0.33 -0.53 0.00 0.00 176.83 176.58 1rja h GLU 13 N 0.09 -0.01 -0.42 2.24 5.08 -1.20 -3.06 114.58 117.30 1rja h GLU 13 Ca 0.00 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.48 1rja h GLU 13 Cb 0.92 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.16 1rja h GLU 13 CO 0.07 0.84 0.32 0.00 -1.00 0.00 0.00 179.01 179.24 1rja h ALA 14 N -0.07 2.34 -0.03 3.43 0.00 -1.48 1.92 119.26 125.37 1rja h ALA 14 Ca -0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 1rja h ALA 14 Cb 0.85 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1rja h ALA 14 CO 0.00 -0.54 -0.27 0.28 0.00 0.00 0.00 179.25 178.73 1rja h VAL 15 N 0.00 1.49 0.00 0.00 2.07 -1.60 -0.29 116.25 117.91 1rja h VAL 15 Ca 0.20 -1.82 0.00 0.00 0.82 0.00 0.00 66.70 65.90 1rja h VAL 15 Cb 0.84 2.56 0.00 0.00 -1.52 0.00 0.00 31.29 33.16 1rja h VAL 15 CO -0.00 0.51 -0.17 0.54 0.02 0.00 0.00 177.57 178.46 1rja n ARG 16 N -4.49 0.27 -0.02 1.57 5.12 -0.63 -2.90 116.66 115.58 1rja n ARG 16 Ca -0.09 0.18 -0.20 0.00 -1.93 0.00 0.00 57.85 55.80 1rja n ARG 16 Cb 0.49 -1.77 -0.13 0.00 -1.16 0.00 0.00 32.46 29.89 1rja n ARG 16 CO 0.00 0.00 0.00 -0.09 -1.93 0.00 0.00 177.63 175.61 1rja h ARG 17 N 0.00 0.17 -0.70 5.56 2.43 0.30 -1.95 114.38 120.19 1rja h ARG 17 Ca 0.00 -0.30 -0.03 0.00 -0.81 0.00 0.00 59.98 58.84 1rja h ARG 17 Cb 0.74 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.37 1rja h ARG 17 CO 0.00 1.14 0.30 -0.07 -1.51 0.00 0.00 179.97 179.83 1rja h LEU 18 N -0.53 0.94 -0.53 3.80 -0.00 -1.14 -2.19 115.31 115.67 1rja h LEU 18 Ca -0.25 -0.16 -0.02 0.00 -0.00 0.00 0.00 57.88 57.45 1rja h LEU 18 Cb 1.56 -0.24 -0.00 0.00 -0.00 0.00 0.00 40.66 41.97 1rja h LEU 18 CO 0.02 0.84 -0.10 1.56 -0.00 0.00 0.00 178.44 180.75 1rja h GLN 19 N 0.99 0.00 -6.18 1.13 4.20 -1.67 -3.41 115.11 110.17 1rja h GLN 19 Ca 0.23 0.00 -0.40 0.00 0.06 0.00 0.00 58.65 58.55 1rja h GLN 19 Cb 0.18 0.00 0.21 0.00 0.30 0.00 0.00 27.48 28.17 1rja h GLN 19 CO -0.02 0.10 -1.54 0.00 -0.67 0.00 0.00 178.83 176.70 1rja n ALA 20 N -2.13 -3.59 0.45 3.87 0.00 -0.73 -4.82 120.51 113.56 1rja n ALA 20 Ca 0.02 -1.20 0.04 0.00 0.00 0.00 0.00 53.44 52.31 1rja n ALA 20 Cb 0.49 -1.01 0.18 0.00 0.00 0.00 0.00 19.45 19.11 1rja n ALA 20 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1rja n GLU 21 N 0.11 2.39 0.00 0.00 1.02 -1.26 -3.39 120.64 119.51 1rja n GLU 21 Ca 0.00 -1.41 0.11 0.00 -0.02 0.00 0.00 57.16 55.84 1rja n GLU 21 Cb 0.59 -1.59 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 1rja n GLU 21 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rja n GLY 22 N 0.66 -1.08 3.50 0.62 0.00 -1.26 -4.88 105.19 102.75 1rja n GLY 22 Ca 0.13 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 1rja n GLY 22 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rja s ASN 23 N -3.02 4.97 -0.84 1.61 -0.87 -1.22 -4.64 114.94 110.94 1rja s ASN 23 Ca 0.09 -0.12 0.01 0.00 -1.57 0.00 0.00 52.86 51.27 1rja s ASN 23 Cb 0.16 -1.84 0.32 0.00 -0.02 0.00 0.00 41.25 39.88 1rja s ASN 23 CO 0.81 0.12 1.42 0.00 -2.57 0.00 0.00 177.10 176.88 1rja n ALA 24 N 3.89 5.40 -1.71 0.60 0.00 -1.26 -4.94 120.51 122.48 1rja n ALA 24 Ca -0.17 -4.67 0.00 0.00 0.00 0.00 0.00 53.44 48.60 1rja n ALA 24 Cb 0.52 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 18.39 1rja n ALA 24 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rja n THR 25 N -0.01 -5.59 0.00 0.00 -2.24 -1.26 -4.68 114.28 100.51 1rja n THR 25 Ca 0.39 2.55 0.00 0.00 -2.27 0.00 0.00 64.05 64.72 1rja n THR 25 Cb 0.32 -3.47 0.00 0.00 -2.10 0.00 0.00 70.33 65.08 1rja n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rja n GLY 26 N -0.60 2.96 3.67 3.38 0.00 -1.26 -4.31 105.19 109.03 1rja n GLY 26 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 46.02 45.41 1rja n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rja n ALA 27 N -0.24 -1.35 -2.24 4.61 0.00 -1.24 -3.29 120.51 116.76 1rja n ALA 27 Ca 0.00 0.48 -0.14 0.00 0.00 0.00 0.00 53.44 53.79 1rja n ALA 27 Cb 0.00 -2.01 -0.10 0.00 0.00 0.00 0.00 19.45 17.34 1rja n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1rja s PHE 28 N 2.32 1.22 -0.21 0.00 -0.71 -0.34 -2.14 117.98 118.11 1rja s PHE 28 Ca 0.98 -0.79 -0.19 0.00 -1.04 0.00 0.00 56.93 55.89 1rja s PHE 28 Cb -1.26 -0.64 0.06 0.00 -1.21 0.00 0.00 43.02 39.97 1rja s PHE 28 CO 0.68 0.04 0.56 -0.48 -1.34 0.00 0.00 175.22 174.68 1rja s LEU 29 N -3.16 -0.16 -0.30 -1.99 0.05 -1.02 -2.43 118.68 109.67 1rja s LEU 29 Ca 0.17 1.13 -0.06 0.00 0.05 0.00 0.00 54.13 55.42 1rja s LEU 29 Cb 0.03 1.92 0.02 0.00 -2.05 0.00 0.00 46.19 46.11 1rja s LEU 29 CO 0.00 -0.20 0.06 -0.63 -0.55 0.00 0.00 176.35 175.04 1rja s ILE 30 N 0.37 3.74 0.20 1.48 -1.09 -1.14 -2.38 121.20 122.38 1rja s ILE 30 Ca -0.01 -0.86 0.02 0.00 -2.23 0.00 0.00 60.65 57.57 1rja s ILE 30 Cb -0.04 -2.98 0.02 0.00 -1.58 0.00 0.00 42.46 37.88 1rja s ILE 30 CO -0.00 0.03 0.13 -2.11 -1.23 0.00 0.00 174.94 171.75 1rja n ARG 31 N 4.82 1.25 -3.36 2.79 1.85 -0.31 0.12 116.66 123.82 1rja n ARG 31 Ca -0.14 -1.27 -0.38 0.00 -1.00 0.00 0.00 57.85 55.06 1rja n ARG 31 Cb 0.47 0.17 -0.06 0.00 -1.05 0.00 0.00 32.46 31.99 1rja n ARG 31 CO 0.00 0.00 0.00 0.14 -0.01 0.00 0.00 177.63 177.76 1rja s VAL 32 N -1.08 5.02 -0.86 8.89 -7.23 -1.24 -1.40 120.40 122.50 1rja s VAL 32 Ca 0.10 1.00 -0.20 0.00 -1.81 0.00 0.00 61.98 61.06 1rja s VAL 32 Cb -0.01 -3.81 -0.21 0.00 0.56 0.00 0.00 36.38 32.91 1rja s VAL 32 CO 0.06 0.46 2.33 -1.54 -0.31 0.00 0.00 175.10 176.11 1rja n SER 33 N 2.58 0.58 0.25 4.85 3.41 -1.08 -4.58 113.62 119.64 1rja n SER 33 Ca -0.10 -1.02 0.17 0.00 -0.26 0.00 0.00 58.87 57.66 1rja n SER 33 Cb 0.52 -1.22 0.78 0.00 -0.26 0.00 0.00 64.21 64.03 1rja n SER 33 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1rja h GLU 34 N 12.49 0.00 0.00 4.33 4.39 -1.92 -3.31 114.58 130.56 1rja h GLU 34 Ca -0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 1rja h GLU 34 Cb 1.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 1rja h GLU 34 CO 1.26 0.00 -0.67 1.63 -1.16 0.00 0.00 179.01 180.07 1rja n LYS 35 N -2.78 0.24 -0.24 2.33 5.02 -1.26 -5.06 118.16 116.41 1rja n LYS 35 Ca -0.00 0.10 -0.16 0.00 -2.02 0.00 0.00 58.31 56.23 1rja n LYS 35 Cb 0.18 -0.92 0.15 0.00 -0.02 0.00 0.00 35.03 34.43 1rja n LYS 35 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1rja n PRO 36 N -3.86 -2.51 0.00 1.97 -0.02 -1.25 -5.03 135.00 124.31 1rja n PRO 36 Ca -0.09 -0.75 0.00 0.00 -2.02 0.00 0.00 63.50 60.63 1rja n PRO 36 Cb 0.31 -1.15 0.00 0.00 -0.02 0.00 0.00 33.50 32.64 1rja n PRO 36 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1rja n SER 37 N -3.20 0.00 -3.23 2.55 3.41 -1.26 -4.81 113.62 107.08 1rja n SER 37 Ca 0.07 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.37 1rja n SER 37 Cb 0.31 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 1rja n SER 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rja n ALA 38 N -3.00 4.97 -3.11 7.33 0.00 -1.26 -4.82 120.51 120.62 1rja n ALA 38 Ca 0.00 -4.70 0.00 0.00 0.00 0.00 0.00 53.44 48.74 1rja n ALA 38 Cb 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1rja n ALA 38 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1rja n ASP 39 N 0.02 1.32 -3.85 0.00 8.00 -1.26 -4.62 116.55 116.16 1rja n ASP 39 Ca 0.34 -0.16 -0.13 0.00 0.71 0.00 0.00 54.79 55.55 1rja n ASP 39 Cb 0.36 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.31 1rja n ASP 39 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1rja s TYR 40 N 0.05 0.07 -0.18 1.24 1.51 -0.28 -2.62 117.35 117.15 1rja s TYR 40 Ca 0.00 0.02 -0.05 0.00 -1.01 0.00 0.00 57.07 56.03 1rja s TYR 40 Cb 0.00 -0.11 -0.03 0.00 -0.11 0.00 0.00 41.96 41.71 1rja s TYR 40 CO 0.00 -0.03 0.01 0.14 -1.11 0.00 0.00 175.55 174.56 1rja s VAL 41 N 0.31 4.21 -0.11 0.71 -7.23 -0.49 0.21 120.40 118.01 1rja s VAL 41 Ca -0.03 -0.24 -0.02 0.00 -1.81 0.00 0.00 61.98 59.89 1rja s VAL 41 Cb -0.04 -2.88 -0.03 0.00 0.56 0.00 0.00 36.38 33.99 1rja s VAL 41 CO -0.01 0.46 -0.03 -0.22 -0.31 0.00 0.00 175.10 174.99 1rja s LEU 42 N 0.54 3.33 -0.01 1.32 2.96 0.45 -1.16 118.68 126.12 1rja s LEU 42 Ca -0.00 -0.02 0.05 0.00 -0.22 0.00 0.00 54.13 53.94 1rja s LEU 42 Cb -0.14 -1.77 -0.01 0.00 0.50 0.00 0.00 46.19 44.77 1rja s LEU 42 CO 0.02 0.28 -0.17 -0.94 -1.32 0.00 0.00 176.35 174.22 1rja s SER 43 N -0.28 1.99 0.00 3.68 1.04 -1.00 0.23 113.70 119.36 1rja s SER 43 Ca 0.05 -0.33 0.02 0.00 0.48 0.00 0.00 55.95 56.17 1rja s SER 43 Cb -0.13 -0.21 -0.01 0.00 0.10 0.00 0.00 66.02 65.77 1rja s SER 43 CO 0.02 0.19 -0.08 0.54 0.98 0.00 0.00 173.24 174.90 1rja s VAL 44 N -0.45 0.61 -0.00 5.02 0.11 -0.58 -2.43 120.40 122.68 1rja s VAL 44 Ca 0.06 -0.41 0.28 0.00 -2.93 0.00 0.00 61.98 58.98 1rja s VAL 44 Cb -0.07 -0.53 0.28 0.00 -1.53 0.00 0.00 36.38 34.53 1rja s VAL 44 CO -0.00 0.12 1.85 -0.09 -3.33 0.00 0.00 175.10 173.64 1rja h ARG 45 N 5.79 0.00 -3.81 1.54 2.43 -1.65 -1.50 114.38 117.19 1rja h ARG 45 Ca -0.30 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.80 1rja h ARG 45 Cb 1.19 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 1rja h ARG 45 CO 0.49 0.00 -0.07 -3.47 -1.51 0.00 0.00 179.97 175.41 1rja n ASP 46 N -2.48 -1.43 0.00 -3.80 2.03 -1.26 0.14 116.55 109.75 1rja n ASP 46 Ca -0.01 0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.61 1rja n ASP 46 Cb 0.07 -1.43 0.00 0.00 -0.72 0.00 0.00 41.12 39.03 1rja n ASP 46 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1rja n THR 47 N -2.24 0.00 0.00 5.18 5.66 -1.26 -4.68 114.28 116.94 1rja n THR 47 Ca -0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.97 1rja n THR 47 Cb 0.39 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.17 1rja n THR 47 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1rja n GLN 48 N -0.49 0.00 -1.57 1.09 6.02 0.37 -4.70 117.38 118.10 1rja n GLN 48 Ca 0.00 0.00 -0.50 0.00 -0.01 0.00 0.00 57.00 56.49 1rja n GLN 48 Cb 0.00 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.21 1rja n GLN 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rja n ALA 49 N -3.00 -1.06 -1.08 -1.58 0.00 -1.24 -4.62 120.51 107.92 1rja n ALA 49 Ca 0.00 0.48 -0.33 0.00 0.00 0.00 0.00 53.44 53.59 1rja n ALA 49 Cb 0.00 -2.01 0.13 0.00 0.00 0.00 0.00 19.45 17.57 1rja n ALA 49 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1rja s VAL 50 N -0.06 2.07 -0.25 0.00 1.01 -1.26 -4.41 120.40 117.49 1rja s VAL 50 Ca 0.76 0.03 -0.02 0.00 0.00 0.00 0.00 61.98 62.76 1rja s VAL 50 Cb -0.90 -2.41 0.13 0.00 0.00 0.00 0.00 36.38 33.21 1rja s VAL 50 CO 0.51 -0.02 0.35 -0.13 0.00 0.00 0.00 175.10 175.81 1rja s ARG 51 N -4.19 0.34 0.60 2.72 0.52 -0.56 -4.98 118.95 113.39 1rja s ARG 51 Ca 0.72 0.35 -0.08 0.00 -0.52 0.00 0.00 55.73 56.21 1rja s ARG 51 Cb -0.28 -0.57 -0.01 0.00 0.52 0.00 0.00 34.95 34.62 1rja s ARG 51 CO 0.51 -0.75 0.94 -1.01 0.02 0.00 0.00 175.30 175.01 1rja s HIS 52 N 2.50 3.38 -0.14 -0.53 3.76 -1.26 -1.53 115.29 121.47 1rja s HIS 52 Ca 0.11 0.85 -0.09 0.00 -0.15 0.00 0.00 55.06 55.78 1rja s HIS 52 Cb -0.15 -2.72 0.05 0.00 1.11 0.00 0.00 32.58 30.87 1rja s HIS 52 CO -0.20 -0.78 0.34 0.71 -0.85 0.00 0.00 174.74 173.97 1rja s TYR 53 N -3.05 -0.45 -0.45 1.40 2.02 0.64 -4.90 117.35 112.56 1rja s TYR 53 Ca 0.54 1.03 -0.25 0.00 -0.37 0.00 0.00 57.07 58.01 1rja s TYR 53 Cb -0.11 0.16 0.03 0.00 -0.40 0.00 0.00 41.96 41.64 1rja s TYR 53 CO 0.48 -0.26 0.92 0.21 -1.57 0.00 0.00 175.55 175.32 1rja s LYS 54 N 0.95 3.55 -0.75 -0.62 2.20 -1.26 0.17 119.74 123.97 1rja s LYS 54 Ca -0.06 0.17 -0.18 0.00 -0.36 0.00 0.00 55.97 55.54 1rja s LYS 54 Cb -0.07 -3.92 0.13 0.00 -1.51 0.00 0.00 37.83 32.47 1rja s LYS 54 CO -0.07 -1.20 0.87 0.42 -0.36 0.00 0.00 175.35 175.01 1rja s ILE 55 N 3.71 4.92 0.03 5.43 1.01 0.56 -4.01 121.20 132.84 1rja s ILE 55 Ca 0.37 -1.44 -0.26 0.00 0.00 0.00 0.00 60.65 59.32 1rja s ILE 55 Cb -0.10 -4.59 -0.05 0.00 0.01 0.00 0.00 42.46 37.72 1rja s ILE 55 CO 0.26 -1.26 0.81 0.86 0.00 0.00 0.00 174.94 175.61 1rja s TRP 56 N 2.27 3.71 0.31 3.97 -0.11 -1.13 -1.12 118.94 126.84 1rja s TRP 56 Ca 0.20 1.51 -0.14 0.00 1.22 0.00 0.00 56.10 58.89 1rja s TRP 56 Cb -0.14 -2.88 -0.09 0.00 -1.50 0.00 0.00 33.47 28.86 1rja s TRP 56 CO -0.02 0.20 0.70 0.50 -4.62 0.00 0.00 176.95 173.71 1rja s ARG 57 N 0.22 3.95 -0.37 5.86 3.52 -1.26 -0.33 118.95 130.54 1rja s ARG 57 Ca 0.41 0.58 -0.00 0.00 -0.13 0.00 0.00 55.73 56.58 1rja s ARG 57 Cb -0.20 -2.47 0.30 0.00 -1.56 0.00 0.00 34.95 31.01 1rja s ARG 57 CO 0.24 0.18 1.91 0.54 -0.81 0.00 0.00 175.30 177.36 1rja n ARG 58 N -0.35 1.95 -3.52 5.12 5.12 0.11 -4.90 116.66 120.20 1rja n ARG 58 Ca 0.03 -1.94 -0.22 0.00 -1.93 0.00 0.00 57.85 53.79 1rja n ARG 58 Cb 0.53 -1.76 0.01 0.00 -1.16 0.00 0.00 32.46 30.08 1rja n ARG 58 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1rja n ALA 59 N -0.08 -2.66 0.00 7.54 0.00 -1.26 -4.34 120.51 119.71 1rja n ALA 59 Ca 0.37 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1rja n ALA 59 Cb 0.74 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1rja n ALA 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rja n GLY 60 N -1.23 3.57 0.00 0.00 0.00 -1.26 -5.02 105.19 101.25 1rja n GLY 60 Ca -0.18 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1rja n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rja n GLY 61 N 0.00 -1.24 0.00 -0.02 0.00 -1.26 -5.11 105.19 97.56 1rja n GLY 61 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.78 1rja n GLY 61 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1rja n ARG 62 N 0.00 0.00 -3.07 1.61 0.63 0.10 -4.08 116.66 111.85 1rja n ARG 62 Ca 0.00 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.59 1rja n ARG 62 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 1rja n ARG 62 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1rja s LEU 63 N 0.00 4.20 -0.28 6.15 2.01 0.46 0.08 118.68 131.30 1rja s LEU 63 Ca 0.00 1.41 0.02 0.00 0.01 0.00 0.00 54.13 55.58 1rja s LEU 63 Cb 0.00 -3.89 0.17 0.00 0.01 0.00 0.00 46.19 42.48 1rja s LEU 63 CO 0.00 -0.10 0.48 -1.38 1.01 0.00 0.00 176.35 176.36 1rja s HIS 64 N -1.77 -1.31 0.30 0.29 -3.43 0.56 0.15 115.29 110.07 1rja s HIS 64 Ca 0.50 0.78 0.20 0.00 -0.80 0.00 0.00 55.06 55.73 1rja s HIS 64 Cb -0.14 0.09 0.93 0.00 -1.43 0.00 0.00 32.58 32.04 1rja s HIS 64 CO 0.19 -0.97 1.86 -0.07 -2.00 0.00 0.00 174.74 173.76 1rja h LEU 65 N 8.10 0.00 -9.05 5.38 4.07 -1.70 -2.98 115.31 119.13 1rja h LEU 65 Ca -0.09 0.00 -0.41 0.00 0.08 0.00 0.00 57.88 57.45 1rja h LEU 65 Cb 1.15 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.75 1rja h LEU 65 CO 0.23 0.29 -0.59 0.21 -1.08 0.00 0.00 178.44 177.50 1rja s ASN 66 N -6.48 1.72 0.00 -0.43 2.47 -1.26 -4.61 114.94 106.34 1rja s ASN 66 Ca -0.02 -1.44 0.00 0.00 0.42 0.00 0.00 52.86 51.83 1rja s ASN 66 Cb 0.13 0.16 0.00 0.00 -1.45 0.00 0.00 41.25 40.09 1rja s ASN 66 CO 0.66 -0.74 0.54 -0.62 -3.72 0.00 0.00 177.10 173.22 1rja n GLU 67 N -0.59 0.97 -0.26 0.43 -0.58 -1.26 -3.11 120.64 116.24 1rja n GLU 67 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1rja n GLU 67 Cb 0.66 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 30.10 1rja n GLU 67 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1rja n ALA 68 N 0.08 1.51 -3.19 0.62 0.00 -1.26 -4.98 120.51 113.29 1rja n ALA 68 Ca 0.00 -0.40 -0.22 0.00 0.00 0.00 0.00 53.44 52.82 1rja n ALA 68 Cb 0.27 -0.13 -0.05 0.00 0.00 0.00 0.00 19.45 19.53 1rja n ALA 68 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1rja n VAL 69 N 0.00 -0.05 -3.23 0.00 0.24 -1.18 -5.07 118.33 109.04 1rja n VAL 69 Ca 0.00 -4.43 -0.39 0.00 -2.04 0.00 0.00 64.34 57.49 1rja n VAL 69 Cb 0.55 -1.23 -0.06 0.00 -1.47 0.00 0.00 33.84 31.63 1rja n VAL 69 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1rja s SER 70 N -1.92 6.96 -0.22 -1.34 0.01 -1.25 -3.92 113.70 112.02 1rja s SER 70 Ca 0.38 1.15 -0.08 0.00 1.31 0.00 0.00 55.95 58.71 1rja s SER 70 Cb 0.25 -2.36 0.10 0.00 0.21 0.00 0.00 66.02 64.22 1rja s SER 70 CO -0.09 0.12 0.47 -0.36 0.41 0.00 0.00 173.24 173.78 1rja s PHE 71 N -0.28 -0.91 0.00 2.43 0.08 0.40 -4.90 117.98 114.81 1rja s PHE 71 Ca 0.30 1.69 0.00 0.00 0.12 0.00 0.00 56.93 59.04 1rja s PHE 71 Cb -0.18 0.41 0.01 0.00 -0.57 0.00 0.00 43.02 42.68 1rja s PHE 71 CO 0.17 -0.52 0.01 1.47 -0.10 0.00 0.00 175.22 176.25 1rja n LEU 72 N 5.39 -0.00 0.00 -0.37 -0.00 -1.26 0.18 117.00 120.94 1rja n LEU 72 Ca -0.09 0.01 -0.05 0.00 -0.00 0.00 0.00 56.01 55.88 1rja n LEU 72 Cb 0.49 -0.01 -0.01 0.00 -0.00 0.00 0.00 43.42 43.90 1rja n LEU 72 CO -0.01 -0.01 0.06 -0.24 -0.00 0.00 0.00 177.39 177.19 1rja n SER 73 N -3.61 -0.47 0.29 1.45 2.88 -1.26 0.00 113.62 112.89 1rja n SER 73 Ca 0.00 -1.66 -0.12 0.00 -1.33 0.00 0.00 58.87 55.76 1rja n SER 73 Cb 0.01 0.88 -0.06 0.00 -0.75 0.00 0.00 64.21 64.29 1rja n SER 73 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1rja h LEU 74 N 0.00 -0.66 -1.41 2.46 3.38 -1.96 0.94 115.31 118.06 1rja h LEU 74 Ca -0.09 0.02 0.44 0.00 0.09 0.00 0.00 57.88 58.33 1rja h LEU 74 Cb 0.41 0.17 -0.13 0.00 0.09 0.00 0.00 40.66 41.21 1rja h LEU 74 CO 0.13 -0.31 0.86 1.55 0.09 0.00 0.00 178.44 180.75 1rja h PRO 75 N -1.08 0.08 0.00 1.13 0.13 -1.98 1.54 132.00 131.82 1rja h PRO 75 Ca -0.08 -0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.80 1rja h PRO 75 Cb 0.59 -0.02 -0.04 0.00 0.13 0.00 0.00 31.00 31.66 1rja h PRO 75 CO 0.13 0.05 -1.75 0.39 -0.23 0.00 0.00 178.00 176.60 1rja n GLU 76 N -4.68 0.64 -0.12 0.86 -0.58 -1.21 -2.58 120.64 112.97 1rja n GLU 76 Ca 0.37 0.19 -0.12 0.00 -0.42 0.00 0.00 57.16 57.18 1rja n GLU 76 Cb 1.44 -1.73 -0.03 0.00 -0.57 0.00 0.00 31.44 30.55 1rja n GLU 76 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1rja h LEU 77 N 0.00 0.78 -0.30 -4.62 7.12 0.96 -2.88 115.31 116.37 1rja h LEU 77 Ca -0.28 -0.41 -0.20 0.00 0.13 0.00 0.00 57.88 57.12 1rja h LEU 77 Cb 1.86 -0.22 -0.00 0.00 -0.53 0.00 0.00 40.66 41.77 1rja h LEU 77 CO 0.05 1.02 -0.83 0.58 -0.13 0.00 0.00 178.44 179.13 1rja h VAL 78 N 0.55 1.40 -0.65 1.05 2.07 0.84 -2.90 116.25 118.60 1rja h VAL 78 Ca 0.08 -2.32 0.14 0.00 0.82 0.00 0.00 66.70 65.42 1rja h VAL 78 Cb 0.72 2.27 -0.11 0.00 -1.52 0.00 0.00 31.29 32.65 1rja h VAL 78 CO 0.05 0.69 -0.03 -1.13 0.02 0.00 0.00 177.57 177.17 1rja h ASN 79 N 0.24 -0.36 -0.05 0.57 -1.24 -1.35 0.93 115.58 114.31 1rja h ASN 79 Ca -0.05 0.17 -0.12 0.00 0.71 0.00 0.00 56.30 57.01 1rja h ASN 79 Cb 1.43 0.32 -0.01 0.00 0.73 0.00 0.00 38.32 40.79 1rja h ASN 79 CO 0.14 -0.15 -0.36 0.22 -1.29 0.00 0.00 177.43 175.99 1rja h TYR 80 N 0.09 0.64 0.00 0.67 5.03 -1.52 -1.22 116.97 120.66 1rja h TYR 80 Ca 0.34 -0.17 -0.04 0.00 2.58 0.00 0.00 58.73 61.44 1rja h TYR 80 Cb 0.56 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.69 1rja h TYR 80 CO -0.41 0.83 -0.20 0.45 -1.32 0.00 0.00 178.16 177.51 1rja h HIS 81 N 0.46 0.00 0.14 -3.82 3.86 0.05 0.28 115.15 116.12 1rja h HIS 81 Ca 0.05 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 58.96 1rja h HIS 81 Cb 0.84 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.31 1rja h HIS 81 CO 0.03 0.20 -1.41 -0.09 0.86 0.00 0.00 177.93 177.52 1rja h ARG 82 N 0.00 0.30 0.11 2.45 2.43 0.11 -2.63 114.38 117.15 1rja h ARG 82 Ca -0.00 -0.50 -0.01 0.00 -0.81 0.00 0.00 59.98 58.66 1rja h ARG 82 Cb 0.36 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1rja h ARG 82 CO 0.03 1.20 -0.05 0.00 -1.51 0.00 0.00 179.97 179.63 1rja h ALA 83 N 0.48 -0.31 -2.93 2.80 0.00 -0.88 -3.40 119.26 115.02 1rja h ALA 83 Ca -0.20 -0.03 -0.63 0.00 0.00 0.00 0.00 54.91 54.05 1rja h ALA 83 Cb 2.02 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 19.78 1rja h ALA 83 CO 0.19 -0.30 -0.42 -0.65 0.00 0.00 0.00 179.25 178.07 1rja s GLN 84 N -2.03 3.88 -0.36 0.00 -1.52 0.96 -4.97 119.66 115.63 1rja s GLN 84 Ca -0.02 -0.05 0.03 0.00 -1.95 0.00 0.00 55.36 53.37 1rja s GLN 84 Cb 0.00 -3.31 0.53 0.00 -0.22 0.00 0.00 33.01 30.01 1rja s GLN 84 CO 0.07 0.52 1.73 -1.13 -0.25 0.00 0.00 175.29 176.22 1rja n SER 85 N 2.75 3.59 0.00 5.90 3.41 -1.26 -4.09 113.62 123.92 1rja n SER 85 Ca -0.16 -3.27 0.00 0.00 -0.26 0.00 0.00 58.87 55.17 1rja n SER 85 Cb 0.53 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 1rja n SER 85 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1rja n LEU 86 N -0.81 0.00 -2.59 1.04 0.00 -1.26 -3.40 117.00 109.98 1rja n LEU 86 Ca 0.47 0.10 -0.10 0.00 0.00 0.00 0.00 56.01 56.49 1rja n LEU 86 Cb 1.43 0.00 0.03 0.00 0.00 0.00 0.00 43.42 44.89 1rja n LEU 86 CO 0.48 0.00 0.03 -1.20 0.00 0.00 0.00 177.39 176.70 1rja n SER 87 N -0.52 2.58 -4.23 1.96 7.64 -1.26 -5.08 113.62 114.71 1rja n SER 87 Ca 0.00 -2.69 -0.19 0.00 1.01 0.00 0.00 58.87 57.00 1rja n SER 87 Cb 0.00 -0.46 -0.12 0.00 -1.01 0.00 0.00 64.21 62.63 1rja n SER 87 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1rja s HIS 88 N -3.60 1.41 -0.87 1.43 5.04 -1.22 -4.98 115.29 112.49 1rja s HIS 88 Ca 0.34 -0.50 -0.25 0.00 -1.54 0.00 0.00 55.06 53.11 1rja s HIS 88 Cb 0.37 -0.76 -0.18 0.00 0.04 0.00 0.00 32.58 32.06 1rja s HIS 88 CO -0.02 0.13 2.29 0.41 -2.34 0.00 0.00 174.74 175.21 1rja n GLY 89 N 0.84 -0.26 1.07 1.59 0.00 -1.26 -4.68 105.19 102.48 1rja n GLY 89 Ca -0.18 0.23 0.14 0.00 0.00 0.00 0.00 46.02 46.21 1rja n GLY 89 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rja n LEU 90 N 18.26 -0.55 -4.55 0.99 4.77 -1.26 -4.08 117.00 130.59 1rja n LEU 90 Ca 0.45 1.22 -0.43 0.00 -0.03 0.00 0.00 56.01 57.22 1rja n LEU 90 Cb 0.43 -3.27 -0.05 0.00 -2.33 0.00 0.00 43.42 38.20 1rja n LEU 90 CO 0.58 -2.76 0.66 -0.13 -1.33 0.00 0.00 177.39 174.41 1rja s ARG 91 N -2.11 3.45 -0.89 3.23 0.52 -1.26 -4.78 118.95 117.10 1rja s ARG 91 Ca 0.00 -0.02 -0.32 0.00 -0.52 0.00 0.00 55.73 54.87 1rja s ARG 91 Cb 0.00 -3.95 -0.20 0.00 0.52 0.00 0.00 34.95 31.32 1rja s ARG 91 CO 0.00 -1.20 2.61 1.28 0.02 0.00 0.00 175.30 178.01 1rja n LEU 92 N 6.97 0.54 -0.00 2.53 4.77 -0.99 -4.75 117.00 126.07 1rja n LEU 92 Ca 0.04 0.18 -0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1rja n LEU 92 Cb 0.48 -0.98 -0.00 0.00 -2.33 0.00 0.00 43.42 40.59 1rja n LEU 92 CO 0.61 -0.80 -0.01 0.00 -1.33 0.00 0.00 177.39 175.87 1rja n ALA 93 N 10.64 1.50 -1.98 -1.18 0.00 -1.21 -4.34 120.51 123.95 1rja n ALA 93 Ca 0.62 -0.13 -0.22 0.00 0.00 0.00 0.00 53.44 53.70 1rja n ALA 93 Cb 0.07 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.60 1rja n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rja s ALA 94 N -2.50 3.82 0.40 0.00 0.00 -1.26 -3.11 121.76 119.11 1rja s ALA 94 Ca -0.00 -1.56 0.05 0.00 0.00 0.00 0.00 51.96 50.45 1rja s ALA 94 Cb 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 21.09 1rja s ALA 94 CO 0.00 -1.13 0.57 -1.25 0.00 0.00 0.00 175.76 173.95 1rja s PRO 95 N -4.96 2.97 0.51 0.00 0.04 -0.39 -1.20 135.00 131.96 1rja s PRO 95 Ca 0.62 -0.94 -0.15 0.00 0.04 0.00 0.00 61.00 60.57 1rja s PRO 95 Cb -0.08 -2.72 -0.07 0.00 0.04 0.00 0.00 34.50 31.68 1rja s PRO 95 CO 0.42 -0.18 0.97 0.00 0.04 0.00 0.00 177.00 178.25 1rja s ARG 97 N -4.15 0.25 0.48 0.00 0.52 -1.26 -5.01 118.95 109.79 1rja s ARG 97 Ca 0.58 0.40 0.00 0.00 -0.52 0.00 0.00 55.73 56.18 1rja s ARG 97 Cb -0.10 0.05 -0.00 0.00 0.52 0.00 0.00 34.95 35.42 1rja s ARG 97 CO 0.33 -0.08 0.00 0.36 0.02 0.00 0.00 175.30 175.94 1rja n LYS 98 N 3.39 0.83 -1.25 3.54 2.85 -1.26 -4.54 118.16 121.71 1rja n LYS 98 Ca -0.17 -3.52 -0.26 0.00 -1.05 0.00 0.00 58.31 53.31 1rja n LYS 98 Cb 0.57 0.96 0.16 0.00 -0.65 0.00 0.00 35.03 36.06 1rja n LYS 98 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1rja n HIS 99 N -1.20 3.11 -0.39 5.58 8.25 -1.26 -5.04 115.22 124.28 1rja n HIS 99 Ca -0.20 -2.12 0.00 0.00 -0.26 0.00 0.00 57.72 55.14 1rja n HIS 99 Cb 0.61 -1.06 0.00 0.00 1.12 0.00 0.00 29.99 30.66 1rja n HIS 99 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07