#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3djs n PRO 11 N 0.00 0.03 -3.71 0.00 -0.04 -1.26 -4.58 135.00 125.44 3djs n PRO 11 Ca 0.00 0.12 -0.28 0.00 -0.04 0.00 0.00 63.50 63.30 3djs n PRO 11 Cb 0.00 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 31.80 3djs n PRO 11 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3djs s LEU 12 N -2.95 1.22 0.11 1.53 2.96 -1.26 -0.04 118.68 120.26 3djs s LEU 12 Ca 0.12 -0.98 0.08 0.00 -0.22 0.00 0.00 54.13 53.13 3djs s LEU 12 Cb 0.14 -0.59 -0.04 0.00 0.50 0.00 0.00 46.19 46.21 3djs s LEU 12 CO 0.39 -0.34 -0.16 -0.32 -1.32 0.00 0.00 176.35 174.60 3djs s MET 13 N 1.86 1.86 -0.08 1.98 1.75 0.20 -4.59 119.30 122.29 3djs s MET 13 Ca 0.02 -1.14 0.03 0.00 -1.25 0.00 0.00 55.69 53.35 3djs s MET 13 Cb -0.17 -2.15 0.01 0.00 2.84 0.00 0.00 34.83 35.35 3djs s MET 13 CO -0.14 0.49 -0.16 0.08 -0.65 0.00 0.00 175.02 174.64 3djs s VAL 14 N -1.15 1.44 -0.06 10.11 1.01 -1.26 -0.98 120.40 129.50 3djs s VAL 14 Ca 0.18 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.54 3djs s VAL 14 Cb -0.11 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 35.00 3djs s VAL 14 CO 0.11 0.42 -0.14 -0.75 0.00 0.00 0.00 175.10 174.74 3djs s LYS 15 N 0.54 1.75 -0.09 2.72 2.20 -0.27 -0.99 119.74 125.62 3djs s LYS 15 Ca -0.16 -0.47 0.02 0.00 -0.36 0.00 0.00 55.97 55.01 3djs s LYS 15 Cb -0.16 -1.45 0.01 0.00 -1.51 0.00 0.00 37.83 34.72 3djs s LYS 15 CO 0.05 0.08 -0.15 0.08 -0.36 0.00 0.00 175.35 175.06 3djs s VAL 16 N 0.51 1.38 0.12 4.02 1.01 -0.07 -0.44 120.40 126.94 3djs s VAL 16 Ca -0.12 -0.60 0.09 0.00 0.00 0.00 0.00 61.98 61.35 3djs s VAL 16 Cb -0.15 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 3djs s VAL 16 CO 0.04 0.41 -0.20 -0.76 0.00 0.00 0.00 175.10 174.59 3djs s LEU 17 N 0.77 2.63 -0.36 3.92 1.43 0.11 -0.72 118.68 126.47 3djs s LEU 17 Ca -0.12 -0.60 -0.08 0.00 -1.03 0.00 0.00 54.13 52.30 3djs s LEU 17 Cb -0.16 -1.48 0.04 0.00 0.03 0.00 0.00 46.19 44.62 3djs s LEU 17 CO 0.02 0.17 0.15 -0.62 0.23 0.00 0.00 176.35 176.31 3djs s ASP 18 N -2.17 5.49 0.23 2.29 -1.08 0.12 -0.23 116.67 121.32 3djs s ASP 18 Ca 0.18 -1.11 0.24 0.00 -0.52 0.00 0.00 52.55 51.33 3djs s ASP 18 Cb -0.10 -1.93 0.93 0.00 -1.46 0.00 0.00 42.92 40.36 3djs s ASP 18 CO 0.10 -0.36 1.72 0.00 0.52 0.00 0.00 175.17 177.15 3djs n ALA 19 N 4.88 1.82 0.02 3.66 0.00 0.13 -1.36 120.51 129.67 3djs n ALA 19 Ca -0.12 0.05 -0.21 0.00 0.00 0.00 0.00 53.44 53.16 3djs n ALA 19 Cb 0.45 -1.40 -0.14 0.00 0.00 0.00 0.00 19.45 18.36 3djs n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3djs h VAL 20 N 0.00 1.08 0.00 0.00 2.07 -1.95 -3.39 116.25 114.06 3djs h VAL 20 Ca 0.00 -2.43 0.00 0.00 0.82 0.00 0.00 66.70 65.09 3djs h VAL 20 Cb 0.45 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 33.00 3djs h VAL 20 CO 0.00 0.72 -1.16 0.54 0.02 0.00 0.00 177.57 177.69 3djs n ARG 21 N -3.91 0.44 -2.54 1.57 1.74 -1.22 -4.99 116.66 107.74 3djs n ARG 21 Ca -0.24 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 56.78 3djs n ARG 21 Cb 0.91 -1.65 0.03 0.00 -1.02 0.00 0.00 32.46 30.73 3djs n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3djs n GLY 22 N 1.30 0.14 3.60 -0.13 0.00 -0.47 -5.05 105.19 104.59 3djs n GLY 22 Ca 0.00 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 3djs n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3djs s SER 23 N -3.50 -0.23 0.69 1.61 1.04 -1.10 -5.01 113.70 107.20 3djs s SER 23 Ca 0.00 -0.60 -0.17 0.00 0.48 0.00 0.00 55.95 55.67 3djs s SER 23 Cb -0.00 0.61 0.02 0.00 0.10 0.00 0.00 66.02 66.75 3djs s SER 23 CO 0.27 -1.13 1.27 -2.16 0.98 0.00 0.00 173.24 172.47 3djs s PRO 24 N -3.91 2.29 -0.44 4.02 0.04 -1.26 0.14 135.00 135.87 3djs s PRO 24 Ca 0.12 1.97 -0.21 0.00 0.04 0.00 0.00 61.00 62.92 3djs s PRO 24 Cb -0.02 -1.83 0.03 0.00 0.04 0.00 0.00 34.50 32.72 3djs s PRO 24 CO 0.02 -1.77 0.64 0.00 0.04 0.00 0.00 177.00 175.92 3djs s ALA 25 N -1.63 3.35 -0.02 8.56 0.00 0.10 -4.55 121.76 127.58 3djs s ALA 25 Ca 0.80 -1.26 -0.03 0.00 0.00 0.00 0.00 51.96 51.47 3djs s ALA 25 Cb -0.35 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 3djs s ALA 25 CO 0.43 -1.80 0.19 0.42 0.00 0.00 0.00 175.76 174.99 3djs s ILE 26 N 2.80 5.43 -1.32 0.00 1.01 -1.26 -4.34 121.20 123.52 3djs s ILE 26 Ca 0.22 -0.11 -0.03 0.00 0.00 0.00 0.00 60.65 60.72 3djs s ILE 26 Cb -0.14 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.80 3djs s ILE 26 CO 0.18 0.35 0.46 -3.20 0.00 0.00 0.00 174.94 172.73 3djs n ASN 27 N 1.02 -5.35 -4.71 3.58 5.15 -0.07 -4.93 115.26 109.95 3djs n ASN 27 Ca -0.11 -0.22 -0.37 0.00 -0.60 0.00 0.00 54.58 53.28 3djs n ASN 27 Cb 0.53 -4.22 -0.07 0.00 -0.53 0.00 0.00 39.78 35.49 3djs n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3djs s VAL 28 N -3.05 5.26 0.16 3.44 1.01 -1.26 -4.72 120.40 121.23 3djs s VAL 28 Ca 0.23 0.69 -0.30 0.00 0.00 0.00 0.00 61.98 62.59 3djs s VAL 28 Cb -0.10 -3.70 -0.08 0.00 0.00 0.00 0.00 36.38 32.50 3djs s VAL 28 CO 0.28 0.35 1.33 0.00 0.00 0.00 0.00 175.10 177.05 3djs s ALA 29 N 0.68 3.54 -0.05 5.51 0.00 -1.26 -1.06 121.76 129.11 3djs s ALA 29 Ca 0.19 1.09 0.01 0.00 0.00 0.00 0.00 51.96 53.26 3djs s ALA 29 Cb -0.14 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.51 3djs s ALA 29 CO 0.06 -0.55 -0.05 0.08 0.00 0.00 0.00 175.76 175.30 3djs s VAL 30 N 0.51 0.61 -0.09 0.00 1.01 0.27 -0.53 120.40 122.19 3djs s VAL 30 Ca 0.59 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.46 3djs s VAL 30 Cb -0.36 -0.63 -0.00 0.00 0.00 0.00 0.00 36.38 35.39 3djs s VAL 30 CO 0.35 0.25 -0.23 -1.00 0.00 0.00 0.00 175.10 174.46 3djs s HIS 31 N 0.96 2.55 -0.09 5.22 3.76 -0.13 -1.38 115.29 126.17 3djs s HIS 31 Ca -0.10 -0.96 0.01 0.00 -0.15 0.00 0.00 55.06 53.86 3djs s HIS 31 Cb -0.14 -1.70 -0.02 0.00 1.11 0.00 0.00 32.58 31.83 3djs s HIS 31 CO 0.00 -0.36 -0.11 0.08 -0.85 0.00 0.00 174.74 173.49 3djs s VAL 32 N 0.23 3.26 0.07 -0.90 1.01 0.28 0.67 120.40 125.03 3djs s VAL 32 Ca -0.15 -0.62 0.06 0.00 0.00 0.00 0.00 61.98 61.27 3djs s VAL 32 Cb -0.17 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 3djs s VAL 32 CO 0.08 0.56 -0.16 -0.36 0.00 0.00 0.00 175.10 175.22 3djs s PHE 33 N -0.28 1.40 -0.17 5.22 0.40 0.24 -0.34 117.98 124.44 3djs s PHE 33 Ca 0.03 -0.43 -0.09 0.00 -0.60 0.00 0.00 56.93 55.84 3djs s PHE 33 Cb -0.13 -0.79 -0.05 0.00 0.51 0.00 0.00 43.02 42.57 3djs s PHE 33 CO 0.03 0.10 0.12 1.03 0.70 0.00 0.00 175.22 177.20 3djs s ARG 34 N -1.69 3.94 0.11 0.44 0.52 -0.27 -0.29 118.95 121.71 3djs s ARG 34 Ca 0.01 -0.21 -0.30 0.00 -0.52 0.00 0.00 55.73 54.71 3djs s ARG 34 Cb -0.10 -3.33 -0.07 0.00 0.52 0.00 0.00 34.95 31.98 3djs s ARG 34 CO 0.03 0.44 1.20 0.21 0.02 0.00 0.00 175.30 177.20 3djs s LYS 35 N -0.04 4.45 0.20 3.54 2.20 0.54 -1.64 119.74 128.99 3djs s LYS 35 Ca 0.10 1.81 -0.07 0.00 -0.36 0.00 0.00 55.97 57.45 3djs s LYS 35 Cb -0.11 -3.30 -0.06 0.00 -1.51 0.00 0.00 37.83 32.84 3djs s LYS 35 CO -0.00 -0.20 0.47 0.00 -0.36 0.00 0.00 175.35 175.27 3djs s ALA 36 N 0.65 3.67 0.27 3.13 0.00 0.11 -4.77 121.76 124.83 3djs s ALA 36 Ca 0.57 -0.42 0.15 0.00 0.00 0.00 0.00 51.96 52.26 3djs s ALA 36 Cb -0.31 -2.29 1.00 0.00 0.00 0.00 0.00 23.12 21.52 3djs s ALA 36 CO 0.32 0.56 1.17 0.00 0.00 0.00 0.00 175.76 177.81 3djs n ALA 37 N -0.10 0.76 -0.01 0.00 0.00 -1.26 0.12 120.51 120.02 3djs n ALA 37 Ca -0.01 0.75 -0.08 0.00 0.00 0.00 0.00 53.44 54.10 3djs n ALA 37 Cb 0.52 -0.75 0.05 0.00 0.00 0.00 0.00 19.45 19.26 3djs n ALA 37 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3djs n ASP 38 N -4.67 4.11 -3.44 0.00 5.75 -1.26 -4.86 116.55 112.18 3djs n ASP 38 Ca 0.28 -2.60 -0.23 0.00 -0.01 0.00 0.00 54.79 52.24 3djs n ASP 38 Cb 0.95 -0.75 -0.02 0.00 -1.03 0.00 0.00 41.12 40.27 3djs n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3djs n ASP 39 N 0.23 -2.85 -4.46 -1.12 9.92 0.33 -4.95 116.55 113.65 3djs n ASP 39 Ca 0.19 -0.40 -0.30 0.00 -0.53 0.00 0.00 54.79 53.74 3djs n ASP 39 Cb 0.76 -2.41 -0.12 0.00 -0.64 0.00 0.00 41.12 38.71 3djs n ASP 39 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3djs s THR 40 N -2.83 2.80 -0.61 -3.53 2.01 -1.17 -4.88 115.64 107.43 3djs s THR 40 Ca 0.41 -1.25 -0.24 0.00 0.31 0.00 0.00 61.69 60.93 3djs s THR 40 Cb -0.23 -2.20 0.05 0.00 0.01 0.00 0.00 72.50 70.14 3djs s THR 40 CO 0.51 0.29 0.98 0.26 -0.69 0.00 0.00 174.62 175.97 3djs s TRP 41 N -0.97 2.69 -0.23 4.92 0.52 -1.26 0.06 118.94 124.67 3djs s TRP 41 Ca 0.15 -0.24 -0.20 0.00 0.02 0.00 0.00 56.10 55.83 3djs s TRP 41 Cb -0.10 -4.22 -0.02 0.00 -1.15 0.00 0.00 33.47 27.97 3djs s TRP 41 CO 0.06 -1.55 0.61 -1.83 0.02 0.00 0.00 176.95 174.26 3djs s GLU 42 N 4.17 4.14 0.14 4.98 -1.05 -0.65 -4.92 118.70 125.51 3djs s GLU 42 Ca 0.27 0.53 -0.16 0.00 -0.15 0.00 0.00 54.97 55.46 3djs s GLU 42 Cb -0.14 -3.62 -0.10 0.00 -0.44 0.00 0.00 34.13 29.83 3djs s GLU 42 CO 0.15 -0.33 0.26 -2.30 0.95 0.00 0.00 175.26 173.98 3djs n PRO 43 N 5.43 0.00 0.00 -4.83 -0.02 -1.26 -1.11 135.00 133.20 3djs n PRO 43 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 3djs n PRO 43 Cb 0.49 -0.59 0.00 0.00 -0.02 0.00 0.00 33.50 33.39 3djs n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3djs n PHE 44 N -0.12 0.00 -3.56 6.00 7.35 0.54 -4.62 117.46 123.05 3djs n PHE 44 Ca 0.10 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.68 3djs n PHE 44 Cb 0.16 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 39.95 3djs n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3djs s ALA 45 N -1.14 -1.90 0.16 3.13 0.00 -0.87 -4.99 121.76 116.16 3djs s ALA 45 Ca 0.00 1.45 -0.23 0.00 0.00 0.00 0.00 51.96 53.18 3djs s ALA 45 Cb 0.00 -0.41 0.06 0.00 0.00 0.00 0.00 23.12 22.77 3djs s ALA 45 CO 0.00 -0.39 0.67 -1.54 0.00 0.00 0.00 175.76 174.50 3djs s SER 46 N -1.40 -0.47 0.00 0.00 1.04 -1.26 -0.56 113.70 111.06 3djs s SER 46 Ca -0.01 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.28 3djs s SER 46 Cb -0.01 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.71 3djs s SER 46 CO 0.00 -1.00 0.00 0.61 0.98 0.00 0.00 173.24 173.83 3djs n GLY 47 N -0.38 -1.43 3.49 7.32 0.00 -0.48 -4.98 105.19 108.73 3djs n GLY 47 Ca -0.13 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.56 3djs n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3djs s LYS 48 N -1.26 2.51 0.45 1.61 -0.14 -1.26 -0.56 119.74 121.09 3djs s LYS 48 Ca 0.00 -0.69 -0.24 0.00 -1.36 0.00 0.00 55.97 53.68 3djs s LYS 48 Cb 0.00 -2.40 -0.07 0.00 -1.68 0.00 0.00 37.83 33.68 3djs s LYS 48 CO 0.00 0.62 1.23 0.95 -0.76 0.00 0.00 175.35 177.39 3djs s THR 49 N -0.77 2.82 1.02 2.17 -4.23 -0.22 -4.70 115.64 111.73 3djs s THR 49 Ca 0.12 0.66 -0.17 0.00 -1.18 0.00 0.00 61.69 61.11 3djs s THR 49 Cb -0.11 -3.35 0.24 0.00 1.34 0.00 0.00 72.50 70.62 3djs s THR 49 CO 0.01 0.03 1.20 -1.54 -0.54 0.00 0.00 174.62 173.78 3djs n SER 50 N -0.35 -0.60 0.33 3.99 3.41 0.31 -0.89 113.62 119.81 3djs n SER 50 Ca 0.07 -1.36 0.21 0.00 -0.26 0.00 0.00 58.87 57.53 3djs n SER 50 Cb 0.46 -0.97 1.15 0.00 -0.26 0.00 0.00 64.21 64.59 3djs n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3djs h GLU 51 N 0.00 0.00 -0.04 4.33 3.07 -1.94 0.11 114.58 120.12 3djs h GLU 51 Ca -0.41 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.45 3djs h GLU 51 Cb 1.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 3djs h GLU 51 CO 0.28 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.76 3djs n SER 52 N -3.27 1.72 0.00 1.42 3.41 -1.26 -4.76 113.62 110.88 3djs n SER 52 Ca -0.03 -1.59 0.00 0.00 -0.26 0.00 0.00 58.87 56.99 3djs n SER 52 Cb 0.08 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 3djs n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3djs n GLY 53 N 1.20 0.56 3.87 5.00 0.00 0.39 -4.80 105.19 111.40 3djs n GLY 53 Ca 0.18 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 3djs n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3djs s GLU 54 N -0.50 3.32 -0.24 1.61 2.02 -1.26 -0.89 118.70 122.77 3djs s GLU 54 Ca 0.00 -0.38 -0.10 0.00 0.02 0.00 0.00 54.97 54.51 3djs s GLU 54 Cb 0.00 -3.02 -0.05 0.00 0.10 0.00 0.00 34.13 31.16 3djs s GLU 54 CO 0.00 0.66 0.15 -1.17 0.02 0.00 0.00 175.26 174.92 3djs s LEU 55 N -1.93 4.05 0.12 1.80 2.96 -0.16 -0.53 118.68 124.99 3djs s LEU 55 Ca 0.27 0.09 -0.15 0.00 -0.22 0.00 0.00 54.13 54.12 3djs s LEU 55 Cb -0.12 -2.08 0.06 0.00 0.50 0.00 0.00 46.19 44.54 3djs s LEU 55 CO 0.18 0.07 0.96 0.00 -1.32 0.00 0.00 176.35 176.23 3djs n HIS 56 N 4.27 -0.12 -2.80 5.38 1.44 -1.26 -4.16 115.22 117.98 3djs n HIS 56 Ca -0.15 0.77 -0.02 0.00 -2.01 0.00 0.00 57.72 56.30 3djs n HIS 56 Cb 0.52 -0.65 -0.02 0.00 0.12 0.00 0.00 29.99 29.96 3djs n HIS 56 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3djs n GLY 57 N -1.23 -3.43 1.50 -1.39 0.00 -1.26 -4.94 105.19 94.43 3djs n GLY 57 Ca 0.04 0.84 0.03 0.00 0.00 0.00 0.00 46.02 46.93 3djs n GLY 57 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3djs n HIS 58 N 1.43 1.69 -2.15 1.61 1.44 -1.26 -4.68 115.22 113.29 3djs n HIS 58 Ca -0.16 -0.97 -0.32 0.00 -2.01 0.00 0.00 57.72 54.26 3djs n HIS 58 Cb 0.32 -0.49 -0.01 0.00 0.12 0.00 0.00 29.99 29.93 3djs n HIS 58 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 3djs s THR 59 N -2.89 4.35 0.24 0.61 -4.23 -1.26 -5.07 115.64 107.39 3djs s THR 59 Ca 0.50 1.03 0.07 0.00 -1.18 0.00 0.00 61.69 62.10 3djs s THR 59 Cb 0.40 -3.64 -0.04 0.00 1.34 0.00 0.00 72.50 70.56 3djs s THR 59 CO 0.11 -0.74 0.18 0.28 -0.54 0.00 0.00 174.62 173.91 3djs s THR 60 N -2.72 4.38 0.30 3.99 -1.32 -1.26 -4.52 115.64 114.48 3djs s THR 60 Ca 0.59 -1.41 0.05 0.00 -1.21 0.00 0.00 61.69 59.72 3djs s THR 60 Cb -0.12 -3.35 0.29 0.00 -1.51 0.00 0.00 72.50 67.81 3djs s THR 60 CO 0.39 -0.33 1.73 -0.08 -2.21 0.00 0.00 174.62 174.12 3djs h GLU 61 N 1.61 0.53 -0.39 7.08 4.81 -1.98 -2.43 114.58 123.82 3djs h GLU 61 Ca -0.48 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 58.71 3djs h GLU 61 Cb 1.24 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 3djs h GLU 61 CO 0.61 0.35 0.22 1.49 -0.73 0.00 0.00 179.01 180.96 3djs h GLU 62 N 0.55 0.53 0.00 1.92 4.57 -2.03 -2.70 114.58 117.42 3djs h GLU 62 Ca 0.58 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.71 3djs h GLU 62 Cb 1.04 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.52 3djs h GLU 62 CO -0.46 0.41 0.00 1.05 -1.18 0.00 0.00 179.01 178.83 3djs h GLU 63 N 0.50 0.00 -3.01 1.92 4.11 -1.86 -3.35 114.58 112.89 3djs h GLU 63 Ca 0.14 0.00 -0.75 0.00 0.07 0.00 0.00 59.36 58.82 3djs h GLU 63 Cb 0.03 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.15 3djs h GLU 63 CO -0.02 0.00 2.30 0.34 0.07 0.00 0.00 179.01 181.69 3djs n PHE 64 N -2.69 2.73 -1.44 2.06 7.35 -0.96 -4.97 117.46 119.53 3djs n PHE 64 Ca 0.04 -2.81 -0.30 0.00 -0.76 0.00 0.00 57.45 53.61 3djs n PHE 64 Cb 0.41 -1.90 0.11 0.00 0.35 0.00 0.00 39.48 38.44 3djs n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 3djs s VAL 65 N -0.39 2.95 0.54 -2.13 -7.23 -1.26 -4.95 120.40 107.93 3djs s VAL 65 Ca 0.48 0.31 -0.22 0.00 -1.81 0.00 0.00 61.98 60.75 3djs s VAL 65 Cb 0.15 -2.97 -0.06 0.00 0.56 0.00 0.00 36.38 34.06 3djs s VAL 65 CO -0.05 -0.40 1.25 1.21 -0.31 0.00 0.00 175.10 176.80 3djs n GLU 66 N -3.57 1.52 0.00 4.82 4.07 -1.26 -4.87 120.64 121.35 3djs n GLU 66 Ca 0.07 0.56 0.00 0.00 -0.06 0.00 0.00 57.16 57.73 3djs n GLU 66 Cb 0.56 -2.44 0.00 0.00 -0.06 0.00 0.00 31.44 29.50 3djs n GLU 66 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3djs n GLY 67 N 0.90 -0.72 3.64 8.31 0.00 -1.20 -4.99 105.19 111.13 3djs n GLY 67 Ca 0.11 -1.33 -0.38 0.00 0.00 0.00 0.00 46.02 44.42 3djs n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3djs s ILE 68 N -1.98 5.25 0.07 -0.61 1.01 -1.26 -0.78 121.20 122.89 3djs s ILE 68 Ca 0.00 0.46 0.06 0.00 0.00 0.00 0.00 60.65 61.17 3djs s ILE 68 Cb 0.00 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 3djs s ILE 68 CO 0.00 0.25 -0.09 -0.31 0.00 0.00 0.00 174.94 174.79 3djs s TYR 69 N 1.50 2.79 -0.06 3.97 1.51 0.19 -0.34 117.35 126.91 3djs s TYR 69 Ca 0.13 -0.12 0.06 0.00 -1.01 0.00 0.00 57.07 56.13 3djs s TYR 69 Cb -0.15 -1.50 -0.01 0.00 -0.11 0.00 0.00 41.96 40.20 3djs s TYR 69 CO 0.08 0.40 -0.25 0.21 -1.11 0.00 0.00 175.55 174.88 3djs s LYS 70 N -1.92 2.53 -0.19 -0.62 2.20 0.60 -1.34 119.74 121.00 3djs s LYS 70 Ca 0.20 -0.91 -0.00 0.00 -0.36 0.00 0.00 55.97 54.90 3djs s LYS 70 Cb -0.11 -2.16 0.01 0.00 -1.51 0.00 0.00 37.83 34.07 3djs s LYS 70 CO 0.12 0.39 -0.15 0.08 -0.36 0.00 0.00 175.35 175.43 3djs s VAL 71 N -0.19 2.46 -0.20 4.02 1.01 0.20 -0.59 120.40 127.11 3djs s VAL 71 Ca -0.03 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.11 3djs s VAL 71 Cb -0.14 -2.08 -0.00 0.00 0.00 0.00 0.00 36.38 34.17 3djs s VAL 71 CO 0.03 0.49 -0.09 -0.70 0.00 0.00 0.00 175.10 174.84 3djs s GLU 72 N 1.34 3.31 -0.19 2.72 2.12 0.21 -0.72 118.70 127.49 3djs s GLU 72 Ca 0.05 -0.67 -0.04 0.00 0.36 0.00 0.00 54.97 54.66 3djs s GLU 72 Cb -0.14 -2.86 -0.02 0.00 0.26 0.00 0.00 34.13 31.38 3djs s GLU 72 CO -0.10 -0.12 -0.02 0.42 -0.54 0.00 0.00 175.26 174.90 3djs s ILE 73 N 1.23 3.79 -1.39 -3.70 1.01 0.16 -0.96 121.20 121.34 3djs s ILE 73 Ca 0.03 -0.37 -0.14 0.00 0.00 0.00 0.00 60.65 60.16 3djs s ILE 73 Cb -0.14 -2.70 0.07 0.00 0.01 0.00 0.00 42.46 39.70 3djs s ILE 73 CO -0.04 0.45 2.06 -0.67 0.00 0.00 0.00 174.94 176.74 3djs n ASP 74 N 4.12 4.31 0.09 3.58 -0.08 0.31 -1.15 116.55 127.73 3djs n ASP 74 Ca -0.17 -2.91 -0.03 0.00 -1.51 0.00 0.00 54.79 50.17 3djs n ASP 74 Cb 0.52 -1.64 0.21 0.00 2.34 0.00 0.00 41.12 42.55 3djs n ASP 74 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 3djs h THR 75 N 4.23 1.32 -0.47 5.18 1.35 -1.87 -3.05 112.91 119.59 3djs h THR 75 Ca 0.51 -1.58 -0.05 0.00 -0.55 0.00 0.00 66.41 64.75 3djs h THR 75 Cb 0.68 1.72 -0.02 0.00 -1.73 0.00 0.00 68.15 68.80 3djs h THR 75 CO 1.75 0.47 0.11 0.50 -0.25 0.00 0.00 175.52 178.10 3djs h LYS 76 N 0.21 0.76 -0.76 4.72 3.64 -1.75 -1.78 116.57 121.61 3djs h LYS 76 Ca 0.02 -0.19 -0.04 0.00 -1.27 0.00 0.00 60.65 59.17 3djs h LYS 76 Cb 0.85 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.54 3djs h LYS 76 CO 0.07 0.75 0.31 0.77 -2.27 0.00 0.00 179.45 179.08 3djs h SER 77 N 0.64 1.04 0.09 4.20 0.02 -1.86 -1.13 113.55 116.55 3djs h SER 77 Ca 0.15 -0.15 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 3djs h SER 77 Cb 0.33 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.59 3djs h SER 77 CO 0.00 0.92 -0.13 0.22 -1.14 0.00 0.00 176.83 176.70 3djs h TYR 78 N 1.11 -0.34 -0.56 3.45 3.20 -1.36 -0.46 116.97 122.01 3djs h TYR 78 Ca 0.26 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.05 3djs h TYR 78 Cb 0.20 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 3djs h TYR 78 CO 0.02 -0.20 0.02 -1.49 -1.64 0.00 0.00 178.16 174.87 3djs h TRP 79 N -0.27 1.02 -0.83 -3.82 4.06 -1.21 -2.66 115.95 112.24 3djs h TRP 79 Ca 0.02 -0.15 -0.03 0.00 2.06 0.00 0.00 58.89 60.78 3djs h TRP 79 Cb 0.28 -0.27 -0.04 0.00 -1.00 0.00 0.00 29.16 28.13 3djs h TRP 79 CO -0.15 0.90 0.38 0.87 -3.56 0.00 0.00 178.44 176.89 3djs h LYS 80 N 0.88 1.21 0.00 0.49 1.57 -0.83 -1.58 116.57 118.31 3djs h LYS 80 Ca 0.17 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3djs h LYS 80 Cb 0.49 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 3djs h LYS 80 CO 0.02 0.94 -0.05 0.00 -0.57 0.00 0.00 179.45 179.79 3djs h ALA 81 N 1.23 1.33 -0.06 3.86 0.00 -0.75 -0.84 119.26 124.03 3djs h ALA 81 Ca 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3djs h ALA 81 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3djs h ALA 81 CO -0.03 0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.56 3djs n LEU 82 N -3.63 2.24 -0.99 0.00 4.77 -0.69 -4.97 117.00 113.74 3djs n LEU 82 Ca -0.02 -0.78 -0.09 0.00 -0.03 0.00 0.00 56.01 55.09 3djs n LEU 82 Cb 0.16 -0.02 -0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3djs n LEU 82 CO 0.28 0.39 -0.11 0.61 -1.33 0.00 0.00 177.39 177.22 3djs n GLY 83 N 1.26 0.03 3.22 -0.72 0.00 -0.32 -5.04 105.19 103.62 3djs n GLY 83 Ca 0.17 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 3djs n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3djs s ILE 84 N -2.43 1.84 -0.09 -0.61 1.01 -0.68 -5.02 121.20 115.21 3djs s ILE 84 Ca 0.00 -0.95 -0.30 0.00 0.00 0.00 0.00 60.65 59.41 3djs s ILE 84 Cb 0.00 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.88 3djs s ILE 84 CO 0.00 0.52 1.22 -0.44 0.00 0.00 0.00 174.94 176.24 3djs s SER 85 N -0.10 7.02 0.29 3.58 0.01 -1.26 -3.96 113.70 119.27 3djs s SER 85 Ca -0.04 1.78 0.03 0.00 1.31 0.00 0.00 55.95 59.03 3djs s SER 85 Cb -0.13 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.52 3djs s SER 85 CO 0.03 -0.64 0.45 -2.16 0.41 0.00 0.00 173.24 171.33 3djs s PRO 86 N 2.61 3.45 -0.18 12.44 0.04 -1.26 -4.83 135.00 147.27 3djs s PRO 86 Ca 0.56 -0.57 -0.21 0.00 0.04 0.00 0.00 61.00 60.81 3djs s PRO 86 Cb -0.24 -2.79 -0.18 0.00 0.04 0.00 0.00 34.50 31.33 3djs s PRO 86 CO 0.20 0.30 0.29 0.35 0.04 0.00 0.00 177.00 178.17 3djs h PHE 87 N 0.98 0.00 -3.97 0.56 3.57 -1.34 -3.49 116.94 113.25 3djs h PHE 87 Ca -0.51 0.00 -0.46 0.00 3.53 0.00 0.00 57.97 60.53 3djs h PHE 87 Cb 1.23 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.95 3djs h PHE 87 CO 0.48 1.19 0.27 -1.01 -2.23 0.00 0.00 178.31 177.01 3djs s HIS 88 N -2.29 3.34 0.24 0.41 3.76 -1.26 -4.97 115.29 114.51 3djs s HIS 88 Ca -0.24 1.48 0.00 0.00 -0.15 0.00 0.00 55.06 56.15 3djs s HIS 88 Cb 0.03 -2.75 0.26 0.00 1.11 0.00 0.00 32.58 31.23 3djs s HIS 88 CO 0.56 -0.07 1.61 0.93 -0.85 0.00 0.00 174.74 176.92 3djs h GLU 89 N 1.94 0.48 -1.80 1.40 4.39 -1.98 -3.38 114.58 115.63 3djs h GLU 89 Ca -0.49 -0.25 0.31 0.00 0.34 0.00 0.00 59.36 59.27 3djs h GLU 89 Cb 1.18 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 29.74 3djs h GLU 89 CO 0.62 0.82 0.80 -3.38 -1.16 0.00 0.00 179.01 176.71 3djs s HIS 90 N -4.18 -0.02 -0.20 4.33 -3.43 -1.26 -3.92 115.29 106.60 3djs s HIS 90 Ca -0.07 -0.13 -0.02 0.00 -0.80 0.00 0.00 55.06 54.04 3djs s HIS 90 Cb 0.12 0.57 -0.00 0.00 -1.43 0.00 0.00 32.58 31.85 3djs s HIS 90 CO 0.81 -0.38 -0.09 0.00 -2.00 0.00 0.00 174.74 173.08 3djs s ALA 91 N -2.35 2.67 -0.16 -1.38 0.00 -0.30 -4.88 121.76 115.35 3djs s ALA 91 Ca 0.19 -1.17 -0.00 0.00 0.00 0.00 0.00 51.96 50.98 3djs s ALA 91 Cb 0.02 -1.53 -0.00 0.00 0.00 0.00 0.00 23.12 21.61 3djs s ALA 91 CO -0.02 -0.38 -0.14 -1.21 0.00 0.00 0.00 175.76 174.02 3djs s GLU 92 N 1.38 3.26 -0.19 0.00 2.02 -1.26 0.39 118.70 124.30 3djs s GLU 92 Ca 0.05 -0.72 -0.00 0.00 0.02 0.00 0.00 54.97 54.31 3djs s GLU 92 Cb -0.14 -2.67 0.01 0.00 0.10 0.00 0.00 34.13 31.43 3djs s GLU 92 CO -0.06 0.02 -0.16 0.08 0.02 0.00 0.00 175.26 175.17 3djs s VAL 93 N 0.82 2.40 -0.13 2.63 1.01 0.10 -4.97 120.40 122.25 3djs s VAL 93 Ca -0.05 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.11 3djs s VAL 93 Cb -0.15 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.18 3djs s VAL 93 CO 0.00 0.50 -0.16 -0.69 0.00 0.00 0.00 175.10 174.76 3djs s VAL 94 N 1.34 2.74 0.10 2.92 1.01 -1.26 0.61 120.40 127.86 3djs s VAL 94 Ca 0.05 -0.76 -0.15 0.00 0.00 0.00 0.00 61.98 61.12 3djs s VAL 94 Cb -0.13 -2.14 0.03 0.00 0.00 0.00 0.00 36.38 34.14 3djs s VAL 94 CO -0.10 0.53 0.35 0.72 0.00 0.00 0.00 175.10 176.59 3djs s PHE 95 N 0.53 -0.13 -0.13 5.22 -0.71 -0.45 -5.00 117.98 117.31 3djs s PHE 95 Ca -0.10 -0.16 -0.13 0.00 -1.04 0.00 0.00 56.93 55.50 3djs s PHE 95 Cb -0.16 0.18 -0.05 0.00 -1.21 0.00 0.00 43.02 41.78 3djs s PHE 95 CO 0.04 -0.64 0.29 -0.08 -1.34 0.00 0.00 175.22 173.49 3djs s THR 96 N -3.55 5.29 0.12 -4.49 -1.32 -1.26 -0.64 115.64 109.79 3djs s THR 96 Ca 0.02 0.55 0.06 0.00 -1.21 0.00 0.00 61.69 61.10 3djs s THR 96 Cb 0.02 -3.61 -0.04 0.00 -1.51 0.00 0.00 72.50 67.36 3djs s THR 96 CO -0.10 0.45 -0.01 0.00 -2.21 0.00 0.00 174.62 172.76 3djs s ALA 97 N 0.03 3.24 0.00 11.08 0.00 0.04 -4.73 121.76 131.42 3djs s ALA 97 Ca 0.17 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.93 3djs s ALA 97 Cb -0.13 -1.11 0.00 0.00 0.00 0.00 0.00 23.12 21.87 3djs s ALA 97 CO 0.05 0.63 0.00 0.09 0.00 0.00 0.00 175.76 176.53 3djs n ASN 98 N 0.35 -3.09 -4.68 0.00 3.02 -1.26 -3.22 115.26 106.39 3djs n ASN 98 Ca -0.11 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.02 3djs n ASN 98 Cb 0.53 -2.60 -0.03 0.00 -0.61 0.00 0.00 39.78 37.07 3djs n ASN 98 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 3djs s ASP 99 N -2.07 6.64 0.00 6.41 -4.77 -1.26 0.78 116.67 122.40 3djs s ASP 99 Ca 0.00 2.36 0.00 0.00 -3.30 0.00 0.00 52.55 51.61 3djs s ASP 99 Cb 0.00 -2.55 0.00 0.00 -1.09 0.00 0.00 42.92 39.28 3djs s ASP 99 CO 0.00 -0.90 0.00 -1.20 0.70 0.00 0.00 175.17 173.77 3djs n SER 100 N 6.33 -1.88 0.00 2.11 7.64 -1.26 -4.97 113.62 121.58 3djs n SER 100 Ca 0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.04 3djs n SER 100 Cb 0.42 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 3djs n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3djs n GLY 101 N -2.63 1.19 3.69 0.23 0.00 0.23 -4.99 105.19 102.91 3djs n GLY 101 Ca 0.00 -1.68 -0.55 0.00 0.00 0.00 0.00 46.02 43.79 3djs n GLY 101 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3djs n PRO 102 N 1.27 1.29 -4.71 1.61 -0.02 -1.26 -4.49 135.00 128.69 3djs n PRO 102 Ca 0.00 0.47 -0.32 0.00 -2.02 0.00 0.00 63.50 61.63 3djs n PRO 102 Cb 0.00 -2.17 -0.08 0.00 -0.02 0.00 0.00 33.50 31.24 3djs n PRO 102 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3djs s ARG 103 N 3.08 2.18 -0.12 -0.52 1.81 -1.26 -4.76 118.95 119.36 3djs s ARG 103 Ca 0.95 -2.36 -0.16 0.00 -1.72 0.00 0.00 55.73 52.45 3djs s ARG 103 Cb -1.00 -1.57 -0.05 0.00 -0.45 0.00 0.00 34.95 31.88 3djs s ARG 103 CO 0.61 -0.34 0.39 1.03 -0.68 0.00 0.00 175.30 176.30 3djs s ARG 104 N -3.88 4.23 -0.15 3.54 1.81 -0.35 -4.78 118.95 119.36 3djs s ARG 104 Ca 0.10 0.30 -0.02 0.00 -1.72 0.00 0.00 55.73 54.38 3djs s ARG 104 Cb 0.02 -3.40 -0.02 0.00 -0.45 0.00 0.00 34.95 31.11 3djs s ARG 104 CO 0.05 0.28 -0.08 0.71 -0.68 0.00 0.00 175.30 175.58 3djs s TYR 105 N 0.28 2.92 -0.20 -0.53 1.51 0.95 -1.23 117.35 121.05 3djs s TYR 105 Ca 0.22 -0.51 -0.03 0.00 -1.01 0.00 0.00 57.07 55.74 3djs s TYR 105 Cb -0.14 -1.92 -0.01 0.00 -0.11 0.00 0.00 41.96 39.78 3djs s TYR 105 CO 0.08 -0.16 -0.07 0.99 -1.11 0.00 0.00 175.55 175.28 3djs s THR 106 N 0.46 3.20 -0.42 -0.71 2.01 -0.14 -0.63 115.64 119.41 3djs s THR 106 Ca -0.06 -0.56 -0.18 0.00 0.31 0.00 0.00 61.69 61.20 3djs s THR 106 Cb -0.15 -2.43 0.02 0.00 0.01 0.00 0.00 72.50 69.95 3djs s THR 106 CO 0.04 0.45 0.48 -0.63 -0.69 0.00 0.00 174.62 174.26 3djs s ILE 107 N 1.28 5.04 -0.12 1.82 -1.09 -0.15 -0.90 121.20 127.08 3djs s ILE 107 Ca 0.03 -0.24 -0.05 0.00 -2.23 0.00 0.00 60.65 58.16 3djs s ILE 107 Cb -0.14 -4.07 -0.04 0.00 -1.58 0.00 0.00 42.46 36.63 3djs s ILE 107 CO -0.03 -0.45 0.06 0.00 -1.23 0.00 0.00 174.94 173.29 3djs s ALA 108 N 2.27 3.52 -0.06 9.38 0.00 -0.09 -1.11 121.76 135.66 3djs s ALA 108 Ca 0.14 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.39 3djs s ALA 108 Cb -0.16 -1.75 0.01 0.00 0.00 0.00 0.00 23.12 21.22 3djs s ALA 108 CO 0.15 0.51 -0.11 0.00 0.00 0.00 0.00 175.76 176.30 3djs s ALA 109 N -0.65 1.14 -0.19 0.00 0.00 0.42 -1.18 121.76 121.31 3djs s ALA 109 Ca 0.11 -0.35 -0.03 0.00 0.00 0.00 0.00 51.96 51.70 3djs s ALA 109 Cb -0.12 -0.53 -0.01 0.00 0.00 0.00 0.00 23.12 22.46 3djs s ALA 109 CO 0.02 0.10 -0.07 -1.17 0.00 0.00 0.00 175.76 174.64 3djs s LEU 110 N 0.68 2.84 -0.13 0.00 2.96 0.00 -0.71 118.68 124.31 3djs s LEU 110 Ca -0.14 -0.37 -0.04 0.00 -0.22 0.00 0.00 54.13 53.37 3djs s LEU 110 Cb -0.15 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 3djs s LEU 110 CO 0.03 0.05 0.01 -0.76 -1.32 0.00 0.00 176.35 174.35 3djs s LEU 111 N 1.07 3.54 0.22 -0.68 1.43 0.68 -1.57 118.68 123.37 3djs s LEU 111 Ca 0.01 0.05 0.05 0.00 -1.03 0.00 0.00 54.13 53.21 3djs s LEU 111 Cb -0.15 -1.84 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 3djs s LEU 111 CO -0.01 0.27 -0.06 -0.44 0.23 0.00 0.00 176.35 176.34 3djs s SER 112 N -0.23 2.10 0.33 2.29 0.01 0.65 -0.69 113.70 118.16 3djs s SER 112 Ca 0.06 -1.14 0.03 0.00 1.31 0.00 0.00 55.95 56.21 3djs s SER 112 Cb -0.12 -0.05 0.62 0.00 0.21 0.00 0.00 66.02 66.68 3djs s SER 112 CO 0.02 -0.39 1.94 -0.65 0.41 0.00 0.00 173.24 174.57 3djs h PRO 113 N 2.52 0.89 -0.12 12.44 0.11 -1.99 -2.99 132.00 142.86 3djs h PRO 113 Ca -0.38 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3djs h PRO 113 Cb 1.22 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.13 3djs h PRO 113 CO 0.64 0.59 0.00 0.66 -0.21 0.00 0.00 178.00 179.68 3djs n TYR 114 N -4.48 0.31 -3.61 0.65 4.02 -1.26 -0.83 117.16 111.97 3djs n TYR 114 Ca 0.12 -0.77 -0.15 0.00 -0.01 0.00 0.00 57.90 57.08 3djs n TYR 114 Cb 0.19 -0.15 -0.07 0.00 -0.02 0.00 0.00 39.34 39.29 3djs n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3djs s SER 115 N -1.90 -0.66 0.04 7.72 0.15 -1.13 -4.97 113.70 112.96 3djs s SER 115 Ca 0.26 1.05 -0.06 0.00 0.70 0.00 0.00 55.95 57.90 3djs s SER 115 Cb 0.20 1.01 -0.01 0.00 -1.71 0.00 0.00 66.02 65.51 3djs s SER 115 CO 0.06 -0.38 0.11 -0.72 1.20 0.00 0.00 173.24 173.50 3djs s TYR 116 N -0.30 0.20 0.11 3.44 -0.85 -1.26 -0.25 117.35 118.45 3djs s TYR 116 Ca -0.05 -0.53 0.07 0.00 -0.52 0.00 0.00 57.07 56.04 3djs s TYR 116 Cb -0.03 -0.14 -0.04 0.00 0.38 0.00 0.00 41.96 42.13 3djs s TYR 116 CO 0.04 -0.39 -0.16 -1.54 -1.52 0.00 0.00 175.55 171.98 3djs s SER 117 N -2.26 2.14 0.01 -0.18 1.04 -0.61 -4.98 113.70 108.85 3djs s SER 117 Ca -0.03 -0.76 0.01 0.00 0.48 0.00 0.00 55.95 55.66 3djs s SER 117 Cb 0.00 -0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.02 3djs s SER 117 CO -0.06 -0.08 -0.04 0.28 0.98 0.00 0.00 173.24 174.33 3djs s THR 118 N -1.76 0.27 0.02 2.02 -1.32 -1.26 -0.82 115.64 112.78 3djs s THR 118 Ca 0.07 -0.35 -0.02 0.00 -1.21 0.00 0.00 61.69 60.18 3djs s THR 118 Cb -0.07 -0.27 -0.02 0.00 -1.51 0.00 0.00 72.50 70.63 3djs s THR 118 CO 0.04 -0.06 0.01 0.42 -2.21 0.00 0.00 174.62 172.82 3djs s THR 119 N -0.41 0.11 -0.15 5.08 -4.23 -0.33 -5.00 115.64 110.71 3djs s THR 119 Ca -0.02 -0.87 -0.03 0.00 -1.18 0.00 0.00 61.69 59.58 3djs s THR 119 Cb -0.03 -0.32 -0.03 0.00 1.34 0.00 0.00 72.50 73.46 3djs s THR 119 CO -0.00 -0.48 -0.04 0.00 -0.54 0.00 0.00 174.62 173.56 3djs s ALA 120 N -1.48 2.99 -0.38 3.99 0.00 -1.26 -0.92 121.76 124.70 3djs s ALA 120 Ca -0.15 -0.82 -0.07 0.00 0.00 0.00 0.00 51.96 50.91 3djs s ALA 120 Cb -0.09 -1.52 0.06 0.00 0.00 0.00 0.00 23.12 21.57 3djs s ALA 120 CO -0.01 0.24 0.18 0.08 0.00 0.00 0.00 175.76 176.26 3djs s VAL 121 N 0.28 3.92 -0.25 0.00 1.01 -0.08 -4.98 120.40 120.30 3djs s VAL 121 Ca -0.03 -1.34 -0.04 0.00 0.00 0.00 0.00 61.98 60.56 3djs s VAL 121 Cb -0.14 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.90 3djs s VAL 121 CO 0.03 -0.37 -0.01 -0.69 0.00 0.00 0.00 175.10 174.06 3djs s VAL 122 N 1.38 3.49 -0.03 2.92 1.01 -1.26 -0.97 120.40 126.94 3djs s VAL 122 Ca 0.01 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.40 3djs s VAL 122 Cb -0.21 -2.69 -0.00 0.00 0.00 0.00 0.00 36.38 33.48 3djs s VAL 122 CO 0.02 0.28 -0.15 0.42 0.00 0.00 0.00 175.10 175.67 3djs s THR 123 N 1.46 1.25 -0.35 3.92 -4.23 -0.37 -4.99 115.64 112.33 3djs s THR 123 Ca 0.04 -0.63 -0.15 0.00 -1.18 0.00 0.00 61.69 59.77 3djs s THR 123 Cb -0.16 -1.07 -0.01 0.00 1.34 0.00 0.00 72.50 72.60 3djs s THR 123 CO -0.02 0.36 0.35 0.21 -0.54 0.00 0.00 174.62 174.98 3djs s ASN 124 N -0.02 6.16 0.00 3.99 3.84 -1.26 -1.21 114.94 126.44 3djs s ASN 124 Ca -0.01 -0.30 0.31 0.00 0.21 0.00 0.00 52.86 53.07 3djs s ASN 124 Cb -0.10 -2.19 1.71 0.00 -0.55 0.00 0.00 41.25 40.13 3djs s ASN 124 CO 0.01 -0.34 2.12 -0.81 -2.79 0.00 0.00 177.10 175.29