#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dic n SER 2 N 0.00 -3.82 -4.83 1.61 7.64 -1.26 -4.92 113.62 108.05 2dic n SER 2 Ca 0.00 0.50 -0.38 0.00 1.01 0.00 0.00 58.87 60.01 2dic n SER 2 Cb 0.00 -0.91 -0.06 0.00 -1.01 0.00 0.00 64.21 62.23 2dic n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dic s SER 3 N -1.11 6.93 0.00 6.43 0.15 -1.26 -4.99 113.70 119.85 2dic s SER 3 Ca 0.54 1.13 0.00 0.00 0.70 0.00 0.00 55.95 58.32 2dic s SER 3 Cb -0.37 -2.31 0.00 0.00 -1.71 0.00 0.00 66.02 61.63 2dic s SER 3 CO 0.69 0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.99 2dic n GLY 4 N 1.50 0.78 3.56 9.45 0.00 -1.26 -5.00 105.19 114.22 2dic n GLY 4 Ca -0.10 -1.91 -0.41 0.00 0.00 0.00 0.00 46.02 43.60 2dic n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dic s SER 5 N -0.26 6.58 -0.20 1.61 0.01 -1.26 -4.96 113.70 115.21 2dic s SER 5 Ca 0.00 -1.68 -0.07 0.00 1.31 0.00 0.00 55.95 55.52 2dic s SER 5 Cb 0.00 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.62 2dic s SER 5 CO 0.00 -1.43 0.05 -0.44 0.41 0.00 0.00 173.24 171.83 2dic s SER 6 N 4.81 5.29 0.00 2.44 0.01 -1.26 -4.79 113.70 120.20 2dic s SER 6 Ca 0.48 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.67 2dic s SER 6 Cb 0.01 -1.92 0.00 0.00 0.21 0.00 0.00 66.02 64.32 2dic s SER 6 CO -0.06 0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.29 2dic n GLY 7 N 4.10 -1.06 3.54 3.44 0.00 -1.26 -5.11 105.19 108.83 2dic n GLY 7 Ca -0.16 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 2dic n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dic s GLY 8 N 0.00 1.69 0.09 -0.02 0.00 -1.26 -5.00 107.32 102.82 2dic s GLY 8 Ca 0.00 -1.04 -0.25 0.00 0.00 0.00 0.00 44.72 43.42 2dic s GLY 8 CO 0.00 1.59 0.58 0.00 0.00 0.00 0.00 173.10 175.27 2dic s GLN 10 N -0.44 2.35 0.00 0.00 -0.21 -1.08 -4.92 119.66 115.36 2dic s GLN 10 Ca 0.58 -2.45 0.15 0.00 0.02 0.00 0.00 55.36 53.67 2dic s GLN 10 Cb -0.82 -3.62 0.85 0.00 1.00 0.00 0.00 33.01 30.42 2dic s GLN 10 CO 0.43 -1.14 1.38 -0.35 -2.12 0.00 0.00 175.29 173.49 2dic n PRO 11 N 3.56 0.36 0.01 2.91 -0.04 -1.26 -2.14 135.00 138.41 2dic n PRO 11 Ca 0.06 0.07 0.04 0.00 -0.04 0.00 0.00 63.50 63.63 2dic n PRO 11 Cb 0.37 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.22 2dic n PRO 11 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dic n SER 12 N -1.13 0.42 0.00 3.54 7.64 -1.26 -3.89 113.62 118.94 2dic n SER 12 Ca 0.10 0.18 0.12 0.00 1.01 0.00 0.00 58.87 60.27 2dic n SER 12 Cb 0.08 0.98 0.56 0.00 -1.01 0.00 0.00 64.21 64.82 2dic n SER 12 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2dic n ARG 13 N -2.61 0.11 -2.64 1.43 5.12 -0.91 -4.80 116.66 112.37 2dic n ARG 13 Ca -0.10 0.07 -0.39 0.00 -1.93 0.00 0.00 57.85 55.51 2dic n ARG 13 Cb 0.74 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 30.49 2dic n ARG 13 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2dic s VAL 14 N -2.86 3.86 -0.04 1.55 1.01 -1.25 -4.37 120.40 118.30 2dic s VAL 14 Ca 0.16 1.70 0.01 0.00 0.00 0.00 0.00 61.98 63.85 2dic s VAL 14 Cb 0.16 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.55 2dic s VAL 14 CO 0.42 0.27 -0.03 -1.10 0.00 0.00 0.00 175.10 174.67 2dic s GLN 15 N -1.74 0.63 -0.19 2.72 -0.21 -1.02 -4.83 119.66 115.02 2dic s GLN 15 Ca 0.48 -0.06 0.01 0.00 0.02 0.00 0.00 55.36 55.81 2dic s GLN 15 Cb -0.25 -0.69 0.02 0.00 1.00 0.00 0.00 33.01 33.10 2dic s GLN 15 CO 0.32 -0.08 -0.17 0.00 -2.12 0.00 0.00 175.29 173.24 2dic s ALA 16 N 0.84 2.41 -0.07 6.09 0.00 -1.26 -1.14 121.76 128.63 2dic s ALA 16 Ca -0.10 -1.28 -0.07 0.00 0.00 0.00 0.00 51.96 50.50 2dic s ALA 16 Cb -0.13 -1.29 0.02 0.00 0.00 0.00 0.00 23.12 21.72 2dic s ALA 16 CO -0.00 -0.47 0.20 1.14 0.00 0.00 0.00 175.76 176.63 2dic s GLN 17 N 1.29 0.23 0.00 0.00 1.03 -0.66 -4.99 119.66 116.56 2dic s GLN 17 Ca 0.03 0.27 0.00 0.00 0.04 0.00 0.00 55.36 55.70 2dic s GLN 17 Cb -0.14 0.11 0.00 0.00 0.03 0.00 0.00 33.01 33.01 2dic s GLN 17 CO -0.11 -0.03 0.00 0.41 -2.54 0.00 0.00 175.29 173.02 2dic n GLY 18 N 2.96 -1.42 0.25 2.60 0.00 -1.26 -0.27 105.19 108.05 2dic n GLY 18 Ca -0.13 -1.46 -0.13 0.00 0.00 0.00 0.00 46.02 44.30 2dic n GLY 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dic h PRO 19 N 1.82 0.89 0.00 1.61 0.13 -1.88 -2.18 132.00 132.38 2dic h PRO 19 Ca 0.00 -0.47 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2dic h PRO 19 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 2dic h PRO 19 CO 0.00 1.11 0.07 0.41 -0.23 0.00 0.00 178.00 179.36 2dic n GLY 20 N 0.14 -0.69 0.07 1.56 0.00 0.62 -0.50 105.19 106.38 2dic n GLY 20 Ca -0.03 0.12 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 2dic n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dic n LEU 21 N -1.96 0.50 -0.04 0.99 4.77 -1.11 -4.66 117.00 115.48 2dic n LEU 21 Ca -0.01 -0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 55.83 2dic n LEU 21 Cb 0.09 0.16 -0.11 0.00 -2.33 0.00 0.00 43.42 41.23 2dic n LEU 21 CO 0.06 0.39 0.46 0.50 -1.33 0.00 0.00 177.39 177.46 2dic h LYS 22 N 0.00 -0.02 -1.73 3.23 3.64 -0.62 -3.42 116.57 117.66 2dic h LYS 22 Ca -0.34 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.06 2dic h LYS 22 Cb 1.74 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 33.34 2dic h LYS 22 CO 0.01 0.73 0.38 -1.83 -2.27 0.00 0.00 179.45 176.47 2dic s GLU 23 N -2.95 0.72 0.20 1.90 1.03 0.34 -4.53 118.70 115.42 2dic s GLU 23 Ca -0.17 0.39 0.03 0.00 0.03 0.00 0.00 54.97 55.26 2dic s GLU 23 Cb -0.01 0.34 -0.01 0.00 -0.80 0.00 0.00 34.13 33.65 2dic s GLU 23 CO 0.64 -0.18 0.12 0.00 -1.33 0.00 0.00 175.26 174.51 2dic n ALA 24 N 1.38 0.36 -2.48 -0.84 0.00 -0.90 -4.26 120.51 113.77 2dic n ALA 24 Ca -0.13 -1.10 -0.11 0.00 0.00 0.00 0.00 53.44 52.10 2dic n ALA 24 Cb 0.57 0.82 -0.09 0.00 0.00 0.00 0.00 19.45 20.75 2dic n ALA 24 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2dic s PHE 25 N -2.57 0.89 -0.01 0.00 0.40 -1.26 -2.75 117.98 112.68 2dic s PHE 25 Ca 0.17 -1.16 -0.30 0.00 -0.60 0.00 0.00 56.93 55.04 2dic s PHE 25 Cb 0.01 -0.33 -0.03 0.00 0.51 0.00 0.00 43.02 43.18 2dic s PHE 25 CO 0.12 -0.73 1.00 0.95 0.70 0.00 0.00 175.22 177.26 2dic s THR 26 N -4.10 4.78 -1.60 0.64 -4.23 0.13 -3.39 115.64 107.86 2dic s THR 26 Ca 0.32 2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 62.83 2dic s THR 26 Cb 0.05 -4.29 0.00 0.00 1.34 0.00 0.00 72.50 69.60 2dic s THR 26 CO 0.10 0.13 0.14 0.59 -0.54 0.00 0.00 174.62 175.04 2dic n ASN 27 N 4.09 -5.61 -4.27 3.99 3.02 -0.51 -4.76 115.26 111.21 2dic n ASN 27 Ca 0.07 -0.08 -0.26 0.00 -0.03 0.00 0.00 54.58 54.28 2dic n ASN 27 Cb 0.50 -4.60 -0.14 0.00 -0.61 0.00 0.00 39.78 34.93 2dic n ASN 27 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2dic s LYS 28 N -5.12 1.35 -0.13 3.52 1.02 -1.22 -5.01 119.74 114.16 2dic s LYS 28 Ca 0.07 -1.01 -0.29 0.00 0.02 0.00 0.00 55.97 54.75 2dic s LYS 28 Cb -0.03 -1.52 -0.04 0.00 -0.52 0.00 0.00 37.83 35.72 2dic s LYS 28 CO 0.08 0.38 1.55 -1.25 -0.92 0.00 0.00 175.35 175.19 2dic s PRO 29 N -1.38 4.09 -0.20 -1.68 0.04 -1.26 -4.42 135.00 130.20 2dic s PRO 29 Ca 0.08 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2dic s PRO 29 Cb -0.09 -3.94 0.05 0.00 0.04 0.00 0.00 34.50 30.55 2dic s PRO 29 CO 0.02 -0.93 -0.07 -0.80 0.04 0.00 0.00 177.00 175.26 2dic s ASN 30 N 3.23 3.34 0.37 6.66 0.01 -0.76 -4.98 114.94 122.82 2dic s ASN 30 Ca 0.68 -0.89 0.07 0.00 -0.71 0.00 0.00 52.86 52.01 2dic s ASN 30 Cb -0.28 -1.12 -0.07 0.00 0.41 0.00 0.00 41.25 40.19 2dic s ASN 30 CO 0.26 -0.18 -0.01 0.68 -1.51 0.00 0.00 177.10 176.34 2dic s VAL 31 N 1.47 1.88 0.02 1.60 -7.23 -1.26 -1.13 120.40 115.74 2dic s VAL 31 Ca -0.02 -2.05 -0.17 0.00 -1.81 0.00 0.00 61.98 57.94 2dic s VAL 31 Cb -0.17 -2.85 0.03 0.00 0.56 0.00 0.00 36.38 33.95 2dic s VAL 31 CO -0.08 -0.06 0.36 0.72 -0.31 0.00 0.00 175.10 175.73 2dic s PHE 32 N -2.82 -0.22 -0.27 2.82 -0.71 -1.24 -0.28 117.98 115.28 2dic s PHE 32 Ca 0.34 0.23 -0.21 0.00 -1.04 0.00 0.00 56.93 56.25 2dic s PHE 32 Cb 0.08 0.15 -0.01 0.00 -1.21 0.00 0.00 43.02 42.03 2dic s PHE 32 CO 0.17 -0.49 0.68 0.99 -1.34 0.00 0.00 175.22 175.23 2dic s THR 33 N -1.98 4.93 -0.41 -4.49 2.01 0.63 -4.14 115.64 112.19 2dic s THR 33 Ca -0.09 1.15 -0.05 0.00 0.31 0.00 0.00 61.69 63.02 2dic s THR 33 Cb -0.02 -4.00 0.11 0.00 0.01 0.00 0.00 72.50 68.59 2dic s THR 33 CO 0.01 -0.05 0.22 -0.69 -0.69 0.00 0.00 174.62 173.42 2dic s VAL 34 N 2.63 3.52 -0.50 3.82 1.01 -1.05 -1.66 120.40 128.16 2dic s VAL 34 Ca 0.28 -1.90 -0.27 0.00 0.00 0.00 0.00 61.98 60.09 2dic s VAL 34 Cb -0.15 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 32.91 2dic s VAL 34 CO 0.09 -0.65 1.03 -0.69 0.00 0.00 0.00 175.10 174.88 2dic s VAL 35 N 1.21 4.31 -0.28 2.92 1.01 -0.29 -0.97 120.40 128.31 2dic s VAL 35 Ca 0.06 0.80 0.09 0.00 0.00 0.00 0.00 61.98 62.93 2dic s VAL 35 Cb -0.23 -4.55 0.47 0.00 0.00 0.00 0.00 36.38 32.07 2dic s VAL 35 CO -0.03 -1.03 1.37 0.35 0.00 0.00 0.00 175.10 175.77 2dic n THR 36 N 6.53 2.49 0.27 3.92 -2.24 -1.26 -2.43 114.28 121.56 2dic n THR 36 Ca 0.07 -3.14 -0.15 0.00 -2.27 0.00 0.00 64.05 58.56 2dic n THR 36 Cb 0.49 -0.44 -0.08 0.00 -2.10 0.00 0.00 70.33 68.19 2dic n THR 36 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2dic h ARG 37 N 1.21 -0.68 0.00 -0.78 2.47 -1.87 -3.19 114.38 111.53 2dic h ARG 37 Ca 0.19 0.05 -0.09 0.00 -1.26 0.00 0.00 59.98 58.87 2dic h ARG 37 Cb 1.40 0.16 -0.01 0.00 -1.65 0.00 0.00 29.97 29.86 2dic h ARG 37 CO 0.37 -0.38 -0.41 0.78 0.56 0.00 0.00 179.97 180.88 2dic h GLY 38 N -0.95 0.00 0.21 0.04 0.00 -1.86 -3.20 103.07 97.30 2dic h GLY 38 Ca -0.07 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.43 2dic h GLY 38 CO 0.12 0.00 0.58 0.00 0.00 0.00 0.00 176.54 177.24 2dic h ALA 39 N 1.59 1.56 0.00 3.60 0.00 -1.75 -3.45 119.26 120.81 2dic h ALA 39 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2dic h ALA 39 Cb 1.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2dic h ALA 39 CO 0.05 -0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.71 2dic n GLY 40 N -1.33 1.15 3.11 0.00 0.00 -1.21 -2.64 105.19 104.28 2dic n GLY 40 Ca 0.21 -1.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.02 2dic n GLY 40 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dic s ILE 41 N 0.00 1.03 0.00 -0.61 1.01 -1.26 -4.94 121.20 116.44 2dic s ILE 41 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.85 2dic s ILE 41 Cb 0.00 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.56 2dic s ILE 41 CO 0.00 0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.65 2dic n GLY 42 N 2.25 2.96 3.63 6.18 0.00 -1.26 -4.57 105.19 114.38 2dic n GLY 42 Ca -0.16 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 2dic n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dic s GLY 43 N 0.00 1.01 0.11 -0.02 0.00 -1.26 -4.55 107.32 102.61 2dic s GLY 43 Ca 0.00 0.94 -0.13 0.00 0.00 0.00 0.00 44.72 45.54 2dic s GLY 43 CO 0.00 3.53 0.48 -2.27 0.00 0.00 0.00 173.10 174.85 2dic s LEU 44 N 6.23 4.35 -0.34 0.66 2.96 -1.26 -1.43 118.68 129.85 2dic s LEU 44 Ca 0.91 0.96 -0.01 0.00 -0.22 0.00 0.00 54.13 55.76 2dic s LEU 44 Cb -0.35 -3.11 0.12 0.00 0.50 0.00 0.00 46.19 43.35 2dic s LEU 44 CO 0.37 0.14 0.17 -0.83 -1.32 0.00 0.00 176.35 174.89 2dic s GLY 45 N -1.70 0.90 -0.27 7.98 0.00 -0.48 -5.00 107.32 108.75 2dic s GLY 45 Ca 0.35 -1.72 -0.12 0.00 0.00 0.00 0.00 44.72 43.23 2dic s GLY 45 CO 0.18 1.93 0.22 -0.42 0.00 0.00 0.00 173.10 175.01 2dic s ILE 46 N 1.34 5.29 0.15 0.90 1.01 -1.26 -2.46 121.20 126.17 2dic s ILE 46 Ca 0.14 0.24 -0.03 0.00 0.00 0.00 0.00 60.65 61.00 2dic s ILE 46 Cb -0.20 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 2dic s ILE 46 CO -0.14 0.25 0.12 0.42 0.00 0.00 0.00 174.94 175.59 2dic s THR 47 N 1.74 0.08 -0.02 2.92 -4.23 0.59 -5.00 115.64 111.72 2dic s THR 47 Ca 0.08 -1.80 0.03 0.00 -1.18 0.00 0.00 61.69 58.82 2dic s THR 47 Cb -0.16 -2.07 0.00 0.00 1.34 0.00 0.00 72.50 71.61 2dic s THR 47 CO 0.10 -0.35 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.05 2dic s VAL 48 N -4.05 0.75 -0.03 2.29 1.01 -1.26 0.11 120.40 119.22 2dic s VAL 48 Ca 0.25 -0.36 0.07 0.00 0.00 0.00 0.00 61.98 61.94 2dic s VAL 48 Cb 0.06 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 2dic s VAL 48 CO 0.03 0.23 -0.23 -1.61 0.00 0.00 0.00 175.10 173.52 2dic s GLU 49 N 0.07 2.23 0.00 2.72 2.02 -0.73 -4.71 118.70 120.30 2dic s GLU 49 Ca -0.01 -0.87 0.00 0.00 0.02 0.00 0.00 54.97 54.11 2dic s GLU 49 Cb -0.07 -2.13 0.00 0.00 0.10 0.00 0.00 34.13 32.03 2dic s GLU 49 CO 0.00 0.57 0.00 0.41 0.02 0.00 0.00 175.26 176.26 2dic n GLY 50 N 2.42 0.90 0.00 -1.39 0.00 -1.26 -0.69 105.19 105.16 2dic n GLY 50 Ca -0.16 -0.82 0.07 0.00 0.00 0.00 0.00 46.02 45.10 2dic n GLY 50 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dic n PRO 51 N 0.00 0.49 -3.54 1.61 -0.04 -1.26 -4.72 135.00 127.54 2dic n PRO 51 Ca 0.00 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.29 2dic n PRO 51 Cb 0.00 -1.45 -0.06 0.00 -0.04 0.00 0.00 33.50 31.95 2dic n PRO 51 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dic s SER 52 N -1.95 -0.59 -0.40 3.54 1.04 -1.26 -4.93 113.70 109.14 2dic s SER 52 Ca 0.21 0.55 -0.29 0.00 0.48 0.00 0.00 55.95 56.90 2dic s SER 52 Cb 0.10 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.75 2dic s SER 52 CO 0.16 -0.64 1.33 -0.70 0.98 0.00 0.00 173.24 174.37 2dic s GLU 53 N -1.54 3.68 0.16 4.02 2.12 -1.26 -4.78 118.70 121.09 2dic s GLU 53 Ca -0.10 0.92 -0.23 0.00 0.36 0.00 0.00 54.97 55.92 2dic s GLU 53 Cb -0.01 -3.97 -0.08 0.00 0.26 0.00 0.00 34.13 30.34 2dic s GLU 53 CO 0.06 -1.43 0.73 -1.12 -0.54 0.00 0.00 175.26 172.96 2dic s SER 54 N 3.37 7.27 -0.76 -1.70 0.01 -1.26 -4.61 113.70 116.02 2dic s SER 54 Ca 0.57 1.54 -0.26 0.00 1.31 0.00 0.00 55.95 59.11 2dic s SER 54 Cb -0.13 -2.46 0.02 0.00 0.21 0.00 0.00 66.02 63.66 2dic s SER 54 CO 0.30 0.19 1.41 -0.54 0.41 0.00 0.00 173.24 175.00 2dic s LYS 55 N -1.31 3.14 0.16 12.44 1.02 -0.59 -4.75 119.74 129.84 2dic s LYS 55 Ca 0.36 -0.22 -0.11 0.00 0.02 0.00 0.00 55.97 56.02 2dic s LYS 55 Cb -0.21 -4.38 -0.07 0.00 -0.52 0.00 0.00 37.83 32.65 2dic s LYS 55 CO 0.24 -2.28 0.50 0.42 -0.92 0.00 0.00 175.35 173.31 2dic s ILE 56 N 6.26 4.96 -0.18 2.17 1.01 -1.26 -2.23 121.20 131.93 2dic s ILE 56 Ca 0.42 0.57 -0.06 0.00 0.00 0.00 0.00 60.65 61.57 2dic s ILE 56 Cb -0.08 -3.67 0.09 0.00 0.01 0.00 0.00 42.46 38.81 2dic s ILE 56 CO 0.12 0.14 0.39 0.20 0.00 0.00 0.00 174.94 175.79 2dic s ASN 57 N -1.98 -0.13 0.41 3.58 0.01 0.85 -4.97 114.94 112.71 2dic s ASN 57 Ca 0.40 0.91 -0.05 0.00 -0.71 0.00 0.00 52.86 53.41 2dic s ASN 57 Cb -0.13 1.22 -0.04 0.00 0.41 0.00 0.00 41.25 42.70 2dic s ASN 57 CO 0.20 -0.23 0.70 0.00 -1.51 0.00 0.00 177.10 176.25 2dic s ARG 59 N -4.33 0.69 -0.27 0.00 3.52 0.11 -4.97 118.95 113.70 2dic s ARG 59 Ca 0.46 -1.18 -0.08 0.00 -0.13 0.00 0.00 55.73 54.81 2dic s ARG 59 Cb -0.10 -0.08 -0.02 0.00 -1.56 0.00 0.00 34.95 33.19 2dic s ARG 59 CO 0.39 -0.04 0.08 -0.51 -0.81 0.00 0.00 175.30 174.41 2dic s ASP 60 N -2.71 5.19 -0.21 -2.12 1.01 -1.26 -3.49 116.67 113.08 2dic s ASP 60 Ca 0.06 -0.35 -0.12 0.00 0.71 0.00 0.00 52.55 52.85 2dic s ASP 60 Cb 0.03 -1.93 -0.05 0.00 1.01 0.00 0.00 42.92 41.99 2dic s ASP 60 CO -0.05 -0.09 0.20 0.20 0.21 0.00 0.00 175.17 175.64 2dic s ASN 61 N 1.59 6.25 -0.32 0.27 0.01 -1.26 -4.98 114.94 116.51 2dic s ASN 61 Ca 0.05 0.28 -0.01 0.00 -0.71 0.00 0.00 52.86 52.47 2dic s ASN 61 Cb -0.16 -2.13 0.23 0.00 0.41 0.00 0.00 41.25 39.60 2dic s ASN 61 CO 0.04 0.10 1.97 0.29 -1.51 0.00 0.00 177.10 177.98 2dic n LYS 62 N 3.88 1.80 0.08 -0.60 5.02 -1.26 -4.16 118.16 122.93 2dic n LYS 62 Ca -0.14 -1.59 0.00 0.00 -2.02 0.00 0.00 58.31 54.56 2dic n LYS 62 Cb 0.52 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 2dic n LYS 62 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2dic n ASP 63 N 0.26 0.58 0.00 4.39 2.03 -1.26 -5.08 116.55 117.47 2dic n ASP 63 Ca 0.31 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.85 2dic n ASP 63 Cb 0.63 -0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 2dic n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dic n GLY 64 N 2.75 -0.56 3.82 0.27 0.00 -1.26 -5.18 105.19 105.04 2dic n GLY 64 Ca 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 46.02 46.18 2dic n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dic s SER 65 N 0.00 -0.04 0.09 1.61 1.04 -1.26 -4.52 113.70 110.62 2dic s SER 65 Ca 0.00 -0.41 0.10 0.00 0.48 0.00 0.00 55.95 56.12 2dic s SER 65 Cb 0.00 0.35 -0.03 0.00 0.10 0.00 0.00 66.02 66.43 2dic s SER 65 CO 0.00 -0.68 -0.25 0.00 0.98 0.00 0.00 173.24 173.29 2dic s SER 67 N -1.68 2.72 -0.15 0.00 0.01 -1.23 -2.54 113.70 110.83 2dic s SER 67 Ca 0.14 -0.50 -0.02 0.00 1.31 0.00 0.00 55.95 56.88 2dic s SER 67 Cb -0.10 -1.24 0.05 0.00 0.21 0.00 0.00 66.02 64.94 2dic s SER 67 CO 0.05 0.05 0.01 0.00 0.41 0.00 0.00 173.24 173.76 2dic s ALA 68 N 0.84 0.96 0.14 1.44 0.00 -1.26 0.03 121.76 123.92 2dic s ALA 68 Ca -0.08 -0.51 0.05 0.00 0.00 0.00 0.00 51.96 51.41 2dic s ALA 68 Cb -0.15 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 21.91 2dic s ALA 68 CO -0.00 -0.87 0.10 -1.83 0.00 0.00 0.00 175.76 173.16 2dic s GLU 69 N 1.87 2.83 0.02 0.00 1.03 -0.20 -3.59 118.70 120.67 2dic s GLU 69 Ca 0.01 -0.84 -0.14 0.00 0.03 0.00 0.00 54.97 54.04 2dic s GLU 69 Cb -0.15 -2.64 0.02 0.00 -0.80 0.00 0.00 34.13 30.56 2dic s GLU 69 CO -0.07 0.51 0.29 1.52 -1.33 0.00 0.00 175.26 176.18 2dic s TYR 70 N -1.62 -0.12 -0.23 4.83 -0.85 -0.29 -0.11 117.35 118.97 2dic s TYR 70 Ca 0.30 0.08 -0.04 0.00 -0.52 0.00 0.00 57.07 56.89 2dic s TYR 70 Cb -0.11 0.08 0.09 0.00 0.38 0.00 0.00 41.96 42.41 2dic s TYR 70 CO 0.22 -0.44 0.19 0.42 -1.52 0.00 0.00 175.55 174.42 2dic s ILE 71 N -1.99 -0.24 1.07 -3.49 1.01 -0.95 -1.83 121.20 114.79 2dic s ILE 71 Ca -0.09 -0.31 -0.14 0.00 0.00 0.00 0.00 60.65 60.10 2dic s ILE 71 Cb -0.03 -0.76 0.22 0.00 0.01 0.00 0.00 42.46 41.90 2dic s ILE 71 CO 0.00 -0.37 1.10 -2.16 0.00 0.00 0.00 174.94 173.51 2dic s PRO 72 N 2.25 -0.14 0.00 2.79 0.04 -1.26 -1.54 135.00 137.13 2dic s PRO 72 Ca 0.07 0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.43 2dic s PRO 72 Cb -0.16 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.70 2dic s PRO 72 CO -0.20 -3.07 0.00 1.19 0.04 0.00 0.00 177.00 174.96 2dic n PHE 73 N -4.38 0.00 -3.86 0.56 3.72 -1.26 -1.43 117.46 110.82 2dic n PHE 73 Ca 0.07 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.36 2dic n PHE 73 Cb 0.58 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 39.00 2dic n PHE 73 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2dic s ALA 74 N -0.92 -0.26 0.40 4.37 0.00 -1.26 -4.82 121.76 119.26 2dic s ALA 74 Ca 0.00 0.11 -0.25 0.00 0.00 0.00 0.00 51.96 51.82 2dic s ALA 74 Cb 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 23.12 22.96 2dic s ALA 74 CO 0.00 -0.11 1.19 -1.25 0.00 0.00 0.00 175.76 175.59 2dic s PRO 75 N -0.51 4.05 0.00 0.00 0.04 -1.26 -4.81 135.00 132.51 2dic s PRO 75 Ca -0.06 1.89 0.00 0.00 0.04 0.00 0.00 61.00 62.87 2dic s PRO 75 Cb -0.04 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 31.81 2dic s PRO 75 CO 0.00 -0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.12 2dic n GLY 76 N 0.65 -1.24 3.60 0.56 0.00 -0.89 -4.92 105.19 102.95 2dic n GLY 76 Ca 0.04 -1.37 -0.41 0.00 0.00 0.00 0.00 46.02 44.29 2dic n GLY 76 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dic s ASP 77 N -3.18 6.43 0.12 1.61 -4.77 -1.26 -1.93 116.67 113.70 2dic s ASP 77 Ca 0.00 0.36 0.05 0.00 -3.30 0.00 0.00 52.55 49.66 2dic s ASP 77 Cb 0.00 -2.30 -0.04 0.00 -1.09 0.00 0.00 42.92 39.49 2dic s ASP 77 CO 0.00 -0.41 0.04 -0.31 0.70 0.00 0.00 175.17 175.19 2dic s TYR 78 N 2.46 3.02 -0.26 2.11 1.51 -1.16 -4.65 117.35 120.38 2dic s TYR 78 Ca 0.22 -0.03 0.02 0.00 -1.01 0.00 0.00 57.07 56.27 2dic s TYR 78 Cb -0.15 -1.51 0.07 0.00 -0.11 0.00 0.00 41.96 40.25 2dic s TYR 78 CO 0.11 0.50 -0.06 -0.51 -1.11 0.00 0.00 175.55 174.48 2dic s ASP 79 N -2.63 4.27 -0.52 2.29 1.11 0.13 -1.93 116.67 119.39 2dic s ASP 79 Ca 0.28 -1.43 -0.28 0.00 0.18 0.00 0.00 52.55 51.29 2dic s ASP 79 Cb -0.11 -1.41 0.01 0.00 1.07 0.00 0.00 42.92 42.49 2dic s ASP 79 CO 0.20 -0.24 1.41 -0.69 1.18 0.00 0.00 175.17 177.03 2dic s VAL 80 N 1.20 3.83 -0.26 -1.27 1.01 -1.01 -1.77 120.40 122.12 2dic s VAL 80 Ca -0.04 0.75 -0.24 0.00 0.00 0.00 0.00 61.98 62.45 2dic s VAL 80 Cb -0.19 -4.37 -0.01 0.00 0.00 0.00 0.00 36.38 31.81 2dic s VAL 80 CO -0.07 -1.04 0.79 0.20 0.00 0.00 0.00 175.10 174.98 2dic s ASN 81 N 4.28 6.76 -0.12 3.32 0.01 0.30 -1.90 114.94 127.59 2dic s ASN 81 Ca 0.55 0.92 0.00 0.00 -0.71 0.00 0.00 52.86 53.62 2dic s ASN 81 Cb -0.11 -2.41 0.02 0.00 0.41 0.00 0.00 41.25 39.15 2dic s ASN 81 CO 0.27 -0.51 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.62 2dic s ILE 82 N 2.81 1.22 0.09 0.60 1.01 -1.26 -0.30 121.20 125.38 2dic s ILE 82 Ca 0.33 -0.43 0.05 0.00 0.00 0.00 0.00 60.65 60.60 2dic s ILE 82 Cb -0.15 -1.19 -0.03 0.00 0.01 0.00 0.00 42.46 41.10 2dic s ILE 82 CO 0.08 0.40 -0.14 0.42 0.00 0.00 0.00 174.94 175.70 2dic s THR 83 N 1.47 1.18 -0.13 2.92 -4.23 -1.03 -2.44 115.64 113.38 2dic s THR 83 Ca 0.02 -1.50 -0.03 0.00 -1.18 0.00 0.00 61.69 58.99 2dic s THR 83 Cb -0.13 -1.28 0.05 0.00 1.34 0.00 0.00 72.50 72.47 2dic s THR 83 CO -0.07 -0.33 0.05 -0.47 -0.54 0.00 0.00 174.62 173.26 2dic s TYR 84 N -1.73 0.47 -1.20 3.99 5.04 0.47 -1.39 117.35 123.01 2dic s TYR 84 Ca 0.03 -0.30 0.00 0.00 -2.44 0.00 0.00 57.07 54.36 2dic s TYR 84 Cb -0.07 -0.76 0.00 0.00 0.35 0.00 0.00 41.96 41.48 2dic s TYR 84 CO 0.02 -0.43 0.00 0.41 -1.34 0.00 0.00 175.55 174.21 2dic n GLY 85 N 5.20 0.65 1.40 8.97 0.00 -0.51 -2.45 105.19 118.45 2dic n GLY 85 Ca -0.07 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2dic n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dic n GLY 86 N -1.25 0.59 2.90 -0.02 0.00 -1.26 -4.96 105.19 101.19 2dic n GLY 86 Ca -0.14 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 44.92 2dic n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dic s ALA 87 N -2.00 0.71 -0.01 4.61 0.00 -1.03 -5.12 121.76 118.92 2dic s ALA 87 Ca 0.00 -0.08 -0.30 0.00 0.00 0.00 0.00 51.96 51.58 2dic s ALA 87 Cb 0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.63 2dic s ALA 87 CO 0.00 -0.02 1.39 -1.01 0.00 0.00 0.00 175.76 176.12 2dic s HIS 88 N 0.94 2.84 0.63 0.00 0.09 -1.26 -0.39 115.29 118.13 2dic s HIS 88 Ca -0.11 0.83 -0.18 0.00 -0.00 0.00 0.00 55.06 55.61 2dic s HIS 88 Cb -0.14 -3.65 -0.02 0.00 -0.00 0.00 0.00 32.58 28.77 2dic s HIS 88 CO 0.00 -2.39 1.19 0.96 -0.00 0.00 0.00 174.74 174.51 2dic s ILE 89 N 2.49 2.65 -1.15 0.60 -4.36 -1.02 -4.87 121.20 115.53 2dic s ILE 89 Ca 0.63 0.37 -0.23 0.00 -0.26 0.00 0.00 60.65 61.17 2dic s ILE 89 Cb -0.31 -3.07 -0.08 0.00 1.25 0.00 0.00 42.46 40.26 2dic s ILE 89 CO 0.26 -0.12 1.94 -2.16 0.24 0.00 0.00 174.94 175.10 2dic s PRO 90 N -3.53 2.50 0.00 0.37 0.04 -1.25 -2.51 135.00 130.62 2dic s PRO 90 Ca 0.75 -1.07 0.00 0.00 0.04 0.00 0.00 61.00 60.73 2dic s PRO 90 Cb -0.29 -5.22 0.00 0.00 0.04 0.00 0.00 34.50 29.03 2dic s PRO 90 CO 0.36 -3.92 0.00 0.41 0.04 0.00 0.00 177.00 173.90 2dic n GLY 91 N 5.93 0.00 3.89 0.56 0.00 -1.26 -5.03 105.19 109.27 2dic n GLY 91 Ca 0.44 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.18 2dic n GLY 91 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dic s SER 92 N 0.00 6.09 0.55 1.61 0.15 -1.04 -3.78 113.70 117.27 2dic s SER 92 Ca 0.00 0.12 -0.19 0.00 0.70 0.00 0.00 55.95 56.57 2dic s SER 92 Cb 0.00 -1.78 -0.06 0.00 -1.71 0.00 0.00 66.02 62.47 2dic s SER 92 CO 0.00 0.10 1.13 -2.16 1.20 0.00 0.00 173.24 173.51 2dic s PRO 93 N -2.91 3.34 -0.43 5.44 0.04 -1.26 -4.85 135.00 134.36 2dic s PRO 93 Ca 0.33 1.61 -0.14 0.00 0.04 0.00 0.00 61.00 62.84 2dic s PRO 93 Cb -0.11 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.47 2dic s PRO 93 CO 0.27 -0.86 0.32 -0.06 0.04 0.00 0.00 177.00 176.71 2dic s PHE 94 N -1.79 3.25 0.13 0.56 0.40 -0.80 -4.79 117.98 114.95 2dic s PHE 94 Ca 0.73 -0.83 -0.31 0.00 -0.60 0.00 0.00 56.93 55.91 2dic s PHE 94 Cb -0.24 -2.82 -0.09 0.00 0.51 0.00 0.00 43.02 40.38 2dic s PHE 94 CO 0.27 -0.69 1.58 0.50 0.70 0.00 0.00 175.22 177.58 2dic s ARG 95 N 1.63 4.22 -0.07 0.44 6.06 -1.26 -2.42 118.95 127.56 2dic s ARG 95 Ca 0.04 2.34 -0.01 0.00 -2.50 0.00 0.00 55.73 55.60 2dic s ARG 95 Cb -0.21 -3.29 0.03 0.00 0.06 0.00 0.00 34.95 31.53 2dic s ARG 95 CO 0.08 -0.63 -0.01 0.08 -2.50 0.00 0.00 175.30 172.31 2dic s VAL 96 N 1.58 0.42 -0.19 7.11 1.01 -0.81 -4.86 120.40 124.66 2dic s VAL 96 Ca 0.71 0.06 -0.29 0.00 0.00 0.00 0.00 61.98 62.46 2dic s VAL 96 Cb -0.42 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 2dic s VAL 96 CO 0.31 0.25 1.59 -2.16 0.00 0.00 0.00 175.10 175.10 2dic s PRO 97 N 1.73 3.89 -0.53 2.72 0.04 -1.26 -2.97 135.00 138.62 2dic s PRO 97 Ca 0.01 1.74 -0.16 0.00 0.04 0.00 0.00 61.00 62.64 2dic s PRO 97 Cb -0.13 -4.01 0.12 0.00 0.04 0.00 0.00 34.50 30.53 2dic s PRO 97 CO -0.04 -1.18 0.49 0.08 0.04 0.00 0.00 177.00 176.39 2dic s VAL 98 N 4.88 5.21 0.21 -0.36 1.01 -0.81 -2.11 120.40 128.43 2dic s VAL 98 Ca 0.70 -1.43 0.04 0.00 0.00 0.00 0.00 61.98 61.29 2dic s VAL 98 Cb -0.26 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.78 2dic s VAL 98 CO 0.28 -0.83 0.33 -0.54 0.00 0.00 0.00 175.10 174.34 2dic s LYS 99 N 1.61 3.42 -0.22 2.72 1.02 -1.11 -2.10 119.74 125.09 2dic s LYS 99 Ca 0.03 -0.72 -0.08 0.00 0.02 0.00 0.00 55.97 55.22 2dic s LYS 99 Cb -0.29 -2.90 -0.04 0.00 -0.52 0.00 0.00 37.83 34.08 2dic s LYS 99 CO 0.04 0.46 0.08 0.16 -0.92 0.00 0.00 175.35 175.16 2dic s ASP 100 N -3.75 5.49 0.20 2.83 1.47 -1.26 -0.70 116.67 120.95 2dic s ASP 100 Ca 0.34 -0.04 -0.09 0.00 1.18 0.00 0.00 52.55 53.94 2dic s ASP 100 Cb -0.10 -1.97 0.28 0.00 -0.34 0.00 0.00 42.92 40.80 2dic s ASP 100 CO 0.29 0.06 1.20 0.52 0.68 0.00 0.00 175.17 177.92 2dic n VAL 101 N 4.27 -0.36 -4.35 2.11 0.31 -1.26 -4.36 118.33 114.70 2dic n VAL 101 Ca -0.16 1.78 -0.19 0.00 -0.01 0.00 0.00 64.34 65.77 2dic n VAL 101 Cb 0.52 -2.42 -0.14 0.00 -0.91 0.00 0.00 33.84 30.89 2dic n VAL 101 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2dic s VAL 102 N -5.87 0.92 0.19 2.52 0.11 -1.26 -5.15 120.40 111.86 2dic s VAL 102 Ca -0.11 -0.78 -0.03 0.00 -2.93 0.00 0.00 61.98 58.13 2dic s VAL 102 Cb 0.19 -0.82 -0.05 0.00 -1.53 0.00 0.00 36.38 34.16 2dic s VAL 102 CO 0.58 0.05 0.41 -1.81 -3.33 0.00 0.00 175.10 170.99 2dic s ASP 103 N -0.83 6.44 -0.51 3.54 1.11 -1.26 -5.03 116.67 120.14 2dic s ASP 103 Ca 0.01 0.53 -0.27 0.00 0.18 0.00 0.00 52.55 53.00 2dic s ASP 103 Cb -0.06 -2.06 -0.02 0.00 1.07 0.00 0.00 42.92 41.84 2dic s ASP 103 CO 0.01 -0.02 1.80 -2.16 1.18 0.00 0.00 175.17 175.97 2dic s PRO 104 N -3.06 2.94 0.00 8.23 0.04 -1.26 -5.22 135.00 136.67 2dic s PRO 104 Ca 0.40 0.89 0.09 0.00 0.04 0.00 0.00 61.00 62.42 2dic s PRO 104 Cb -0.11 -4.29 0.07 0.00 0.04 0.00 0.00 34.50 30.20 2dic s PRO 104 CO 0.27 -2.35 0.77 0.45 0.04 0.00 0.00 177.00 176.18