#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dic s SER 2 N 0.00 -0.58 0.09 1.61 1.04 -1.26 -5.18 113.70 109.43 2dic s SER 2 Ca 0.00 0.85 -0.14 0.00 0.48 0.00 0.00 55.95 57.14 2dic s SER 2 Cb 0.00 1.50 0.02 0.00 0.10 0.00 0.00 66.02 67.64 2dic s SER 2 CO 0.00 -0.12 0.33 -0.94 0.98 0.00 0.00 173.24 173.48 2dic s SER 3 N 2.00 -0.12 0.39 7.02 1.04 -1.26 -5.06 113.70 117.71 2dic s SER 3 Ca -0.06 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.02 2dic s SER 3 Cb -0.05 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.48 2dic s SER 3 CO -0.16 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 173.91 2dic n GLY 4 N 0.03 1.93 4.08 7.32 0.00 -1.26 -4.89 105.19 112.40 2dic n GLY 4 Ca -0.16 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 2dic n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dic n SER 5 N 8.16 -1.12 -4.33 1.61 7.64 -1.26 -0.71 113.62 123.60 2dic n SER 5 Ca 0.00 -1.04 -0.33 0.00 1.01 0.00 0.00 58.87 58.51 2dic n SER 5 Cb 0.00 -2.81 -0.08 0.00 -1.01 0.00 0.00 64.21 60.30 2dic n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dic n SER 6 N -2.87 0.01 -2.34 6.43 2.88 -1.26 -4.84 113.62 111.62 2dic n SER 6 Ca -0.19 -1.23 -0.20 0.00 -1.33 0.00 0.00 58.87 55.92 2dic n SER 6 Cb 0.63 -1.81 0.02 0.00 -0.75 0.00 0.00 64.21 62.30 2dic n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dic n GLY 7 N -2.13 5.11 3.62 0.46 0.00 0.11 -5.05 105.19 107.30 2dic n GLY 7 Ca -0.21 -2.31 -0.43 0.00 0.00 0.00 0.00 46.02 43.07 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 -3.57 0.93 0.63 -0.02 0.00 -1.26 -4.94 107.32 99.08 2dic s GLY 8 Ca 0.44 0.80 -0.00 0.00 0.00 0.00 0.00 44.72 45.96 2dic s GLY 8 CO -0.04 3.50 0.87 0.00 0.00 0.00 0.00 173.10 177.44 2dic s GLN 10 N -4.94 1.37 0.00 0.00 1.11 -0.50 -4.95 119.66 111.75 2dic s GLN 10 Ca 0.61 -2.03 0.15 0.00 0.01 0.00 0.00 55.36 54.10 2dic s GLN 10 Cb -0.09 -2.53 0.90 0.00 -1.01 0.00 0.00 33.01 30.28 2dic s GLN 10 CO 0.41 -1.13 1.35 -0.35 0.01 0.00 0.00 175.29 175.59 2dic n PRO 11 N 3.61 0.44 -0.01 2.91 -0.04 -1.26 -2.27 135.00 138.38 2dic n PRO 11 Ca 0.07 0.03 -0.04 0.00 -0.04 0.00 0.00 63.50 63.51 2dic n PRO 11 Cb 0.35 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.19 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 -1.05 0.65 0.00 3.54 7.64 -1.26 -3.89 113.62 119.25 2dic n SER 12 Ca 0.11 0.30 0.13 0.00 1.01 0.00 0.00 58.87 60.41 2dic n SER 12 Cb 0.07 0.35 0.56 0.00 -1.01 0.00 0.00 64.21 64.17 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 -2.88 0.01 -2.38 1.43 1.74 -0.96 -4.81 116.66 108.81 2dic n ARG 13 Ca -0.16 0.05 -0.36 0.00 -0.77 0.00 0.00 57.85 56.61 2dic n ARG 13 Cb 0.96 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.88 2dic n ARG 13 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2dic s VAL 14 N -2.99 3.39 -0.02 1.55 1.01 -1.25 -4.46 120.40 117.63 2dic s VAL 14 Ca 0.13 0.99 0.01 0.00 0.00 0.00 0.00 61.98 63.10 2dic s VAL 14 Cb 0.17 -3.47 0.01 0.00 0.00 0.00 0.00 36.38 33.09 2dic s VAL 14 CO 0.47 -0.07 -0.02 -1.10 0.00 0.00 0.00 175.10 174.38 2dic s GLN 15 N -2.84 0.34 -0.13 2.72 -0.21 -0.96 -4.81 119.66 113.77 2dic s GLN 15 Ca 0.64 -0.03 0.01 0.00 0.02 0.00 0.00 55.36 56.00 2dic s GLN 15 Cb -0.24 -0.42 0.02 0.00 1.00 0.00 0.00 33.01 33.37 2dic s GLN 15 CO 0.29 -0.03 -0.14 0.00 -2.12 0.00 0.00 175.29 173.29 2dic s ALA 16 N 0.51 1.73 0.05 6.09 0.00 -1.26 -1.35 121.76 127.54 2dic s ALA 16 Ca -0.05 -0.80 -0.19 0.00 0.00 0.00 0.00 51.96 50.91 2dic s ALA 16 Cb -0.08 -0.96 0.04 0.00 0.00 0.00 0.00 23.12 22.12 2dic s ALA 16 CO -0.01 -0.28 0.45 1.14 0.00 0.00 0.00 175.76 177.06 2dic s GLN 17 N 1.34 0.98 0.00 0.00 -2.07 -0.83 -5.02 119.66 114.06 2dic s GLN 17 Ca 0.01 -0.35 0.00 0.00 -1.82 0.00 0.00 55.36 53.20 2dic s GLN 17 Cb -0.13 0.44 0.00 0.00 -1.09 0.00 0.00 33.01 32.23 2dic s GLN 17 CO -0.07 -0.35 0.00 0.41 -1.32 0.00 0.00 175.29 173.96 2dic n GLY 18 N 0.40 0.75 0.10 2.60 0.00 -1.26 -0.01 105.19 107.77 2dic n GLY 18 Ca -0.18 -1.84 -0.13 0.00 0.00 0.00 0.00 46.02 43.87 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 6.74 0.21 0.00 1.61 0.13 -1.89 -2.01 132.00 136.79 2dic h PRO 19 Ca 0.00 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2dic h PRO 19 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2dic h PRO 19 CO 0.00 0.64 0.19 0.41 -0.23 0.00 0.00 178.00 179.01 2dic n GLY 20 N 0.21 -0.64 0.08 1.56 0.00 0.39 -0.22 105.19 106.56 2dic n GLY 20 Ca -0.07 0.12 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.98 0.08 -0.06 0.99 4.77 -1.14 -4.65 117.00 115.00 2dic n LEU 21 Ca -0.01 -0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.87 2dic n LEU 21 Cb 0.21 0.35 -0.09 0.00 -2.33 0.00 0.00 43.42 41.56 2dic n LEU 21 CO 0.06 0.39 0.28 0.11 -1.33 0.00 0.00 177.39 176.90 2dic h LYS 22 N 0.00 -0.00 -1.89 3.23 1.57 -0.12 -3.42 116.57 115.94 2dic h LYS 22 Ca -0.42 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.35 2dic h LYS 22 Cb 1.94 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 34.03 2dic h LYS 22 CO 0.02 0.72 0.24 -1.83 -0.57 0.00 0.00 179.45 178.02 2dic s GLU 23 N -2.06 0.79 0.23 3.15 -1.05 0.69 -4.59 118.70 115.86 2dic s GLU 23 Ca -0.14 0.72 0.02 0.00 -0.15 0.00 0.00 54.97 55.42 2dic s GLU 23 Cb -0.02 0.38 -0.01 0.00 -0.44 0.00 0.00 34.13 34.05 2dic s GLU 23 CO 0.50 -0.14 0.07 0.00 0.95 0.00 0.00 175.26 176.64 2dic n ALA 24 N 2.12 0.30 -2.39 -0.84 0.00 -1.11 -4.25 120.51 114.33 2dic n ALA 24 Ca -0.14 -1.14 -0.09 0.00 0.00 0.00 0.00 53.44 52.06 2dic n ALA 24 Cb 0.56 0.75 -0.09 0.00 0.00 0.00 0.00 19.45 20.67 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 -2.34 0.62 -0.00 0.00 0.40 -1.26 -2.89 117.98 112.51 2dic s PHE 25 Ca 0.10 -1.00 -0.30 0.00 -0.60 0.00 0.00 56.93 55.13 2dic s PHE 25 Cb 0.00 -0.28 -0.03 0.00 0.51 0.00 0.00 43.02 43.22 2dic s PHE 25 CO 0.07 -0.59 1.05 0.95 0.70 0.00 0.00 175.22 177.39 2dic s THR 26 N -4.00 4.64 -1.77 0.64 -4.23 -0.10 -3.25 115.64 107.57 2dic s THR 26 Ca 0.19 1.90 0.00 0.00 -1.18 0.00 0.00 61.69 62.60 2dic s THR 26 Cb 0.06 -4.22 0.00 0.00 1.34 0.00 0.00 72.50 69.68 2dic s THR 26 CO -0.00 0.12 0.00 0.59 -0.54 0.00 0.00 174.62 174.79 2dic n ASN 27 N 4.13 -5.41 -4.36 3.99 3.02 -0.55 -4.73 115.26 111.34 2dic n ASN 27 Ca 0.07 0.16 -0.30 0.00 -0.03 0.00 0.00 54.58 54.48 2dic n ASN 27 Cb 0.49 -4.50 -0.14 0.00 -0.61 0.00 0.00 39.78 35.02 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 -4.47 1.78 -0.18 3.52 1.02 -1.20 -5.00 119.74 115.21 2dic s LYS 28 Ca 0.00 -1.13 -0.29 0.00 0.02 0.00 0.00 55.97 54.57 2dic s LYS 28 Cb 0.00 -1.99 -0.03 0.00 -0.52 0.00 0.00 37.83 35.29 2dic s LYS 28 CO 0.00 0.51 1.59 -1.25 -0.92 0.00 0.00 175.35 175.27 2dic s PRO 29 N -1.34 3.91 -0.15 -1.68 0.04 -1.26 -4.42 135.00 130.09 2dic s PRO 29 Ca 0.12 1.76 0.01 0.00 0.04 0.00 0.00 61.00 62.93 2dic s PRO 29 Cb -0.10 -4.00 0.02 0.00 0.04 0.00 0.00 34.50 30.46 2dic s PRO 29 CO 0.03 -1.15 -0.16 -0.80 0.04 0.00 0.00 177.00 174.95 2dic s ASN 30 N 3.84 2.80 0.36 6.66 0.01 -0.70 -4.98 114.94 122.92 2dic s ASN 30 Ca 0.70 -0.53 0.04 0.00 -0.71 0.00 0.00 52.86 52.36 2dic s ASN 30 Cb -0.26 -1.27 -0.06 0.00 0.41 0.00 0.00 41.25 40.08 2dic s ASN 30 CO 0.28 -0.03 0.06 0.68 -1.51 0.00 0.00 177.10 176.58 2dic s VAL 31 N 1.34 1.19 0.07 1.60 -7.23 -1.26 -0.60 120.40 115.51 2dic s VAL 31 Ca 0.03 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 58.02 2dic s VAL 31 Cb -0.13 -2.72 0.04 0.00 0.56 0.00 0.00 36.38 34.13 2dic s VAL 31 CO -0.10 0.00 0.43 0.72 -0.31 0.00 0.00 175.10 175.84 2dic s PHE 32 N -3.19 -0.27 -0.22 2.82 -0.71 -1.17 -0.46 117.98 114.77 2dic s PHE 32 Ca 0.33 0.16 -0.17 0.00 -1.04 0.00 0.00 56.93 56.20 2dic s PHE 32 Cb 0.08 0.26 -0.03 0.00 -1.21 0.00 0.00 43.02 42.11 2dic s PHE 32 CO 0.15 -0.63 0.45 0.99 -1.34 0.00 0.00 175.22 174.84 2dic s THR 33 N -2.92 5.15 -0.26 -4.49 2.01 0.99 -3.93 115.64 112.19 2dic s THR 33 Ca -0.03 0.79 0.00 0.00 0.31 0.00 0.00 61.69 62.77 2dic s THR 33 Cb 0.00 -3.77 0.04 0.00 0.01 0.00 0.00 72.50 68.78 2dic s THR 33 CO -0.06 0.19 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.31 2dic s VAL 34 N 1.64 2.59 -0.41 3.82 1.01 -1.04 -1.97 120.40 126.04 2dic s VAL 34 Ca 0.20 -1.35 -0.21 0.00 0.00 0.00 0.00 61.98 60.63 2dic s VAL 34 Cb -0.15 -2.43 0.02 0.00 0.00 0.00 0.00 36.38 33.82 2dic s VAL 34 CO 0.09 0.05 0.67 -0.69 0.00 0.00 0.00 175.10 175.22 2dic s VAL 35 N 1.22 4.82 -0.19 2.92 1.01 -0.46 -1.37 120.40 128.35 2dic s VAL 35 Ca -0.04 0.35 0.13 0.00 0.00 0.00 0.00 61.98 62.42 2dic s VAL 35 Cb -0.18 -4.18 0.40 0.00 0.00 0.00 0.00 36.38 32.42 2dic s VAL 35 CO -0.04 -0.51 1.21 0.35 0.00 0.00 0.00 175.10 176.10 2dic n THR 36 N 5.81 2.03 -0.10 3.92 -2.24 -1.26 -2.26 114.28 120.18 2dic n THR 36 Ca -0.01 -2.99 -0.10 0.00 -2.27 0.00 0.00 64.05 58.68 2dic n THR 36 Cb 0.48 -0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.52 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 0.88 0.45 0.23 -0.78 3.08 -1.89 -3.22 114.38 113.12 2dic h ARG 37 Ca -0.01 -0.08 -0.34 0.00 0.07 0.00 0.00 59.98 59.61 2dic h ARG 37 Cb 1.05 -0.07 0.03 0.00 0.08 0.00 0.00 29.97 31.06 2dic h ARG 37 CO 0.01 0.47 -1.56 0.78 -1.07 0.00 0.00 179.97 178.59 2dic h GLY 38 N 0.33 0.56 -0.91 0.04 0.00 -1.86 -3.34 103.07 97.88 2dic h GLY 38 Ca 0.10 -1.42 0.22 0.00 0.00 0.00 0.00 47.33 46.22 2dic h GLY 38 CO -0.01 1.24 -0.11 0.00 0.00 0.00 0.00 176.54 177.66 2dic n ALA 39 N -2.75 0.34 0.00 3.60 0.00 -1.22 -4.79 120.51 115.68 2dic n ALA 39 Ca -0.19 0.99 0.00 0.00 0.00 0.00 0.00 53.44 54.24 2dic n ALA 39 Cb 1.09 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.89 2dic n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dic n GLY 40 N -1.52 0.30 3.06 0.00 0.00 -1.22 -1.41 105.19 104.40 2dic n GLY 40 Ca 0.18 -1.50 -0.24 0.00 0.00 0.00 0.00 46.02 44.46 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 1.15 0.00 -0.61 1.01 -1.26 -4.90 121.20 116.59 2dic s ILE 41 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.12 2dic s ILE 41 Cb 0.00 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.45 2dic s ILE 41 CO 0.00 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.90 2dic n GLY 42 N 3.45 0.93 3.61 6.18 0.00 -1.26 -4.65 105.19 113.45 2dic n GLY 42 Ca -0.20 -0.79 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 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 1.05 -0.05 -0.02 0.00 -1.26 -4.70 107.32 102.34 2dic s GLY 43 Ca 0.00 0.03 -0.26 0.00 0.00 0.00 0.00 44.72 44.49 2dic s GLY 43 CO 0.00 2.91 0.83 -2.27 0.00 0.00 0.00 173.10 174.57 2dic s LEU 44 N 5.70 4.32 -0.32 0.66 2.96 -1.26 -0.15 118.68 130.60 2dic s LEU 44 Ca 0.67 1.38 0.02 0.00 -0.22 0.00 0.00 54.13 55.98 2dic s LEU 44 Cb -0.17 -3.30 0.09 0.00 0.50 0.00 0.00 46.19 43.31 2dic s LEU 44 CO 0.32 -0.21 0.05 -0.83 -1.32 0.00 0.00 176.35 174.36 2dic s GLY 45 N 0.92 1.58 -0.37 7.98 0.00 -0.05 -4.98 107.32 112.40 2dic s GLY 45 Ca 0.44 -2.10 -0.08 0.00 0.00 0.00 0.00 44.72 42.98 2dic s GLY 45 CO 0.21 1.14 0.17 -0.42 0.00 0.00 0.00 173.10 174.20 2dic s ILE 46 N 1.19 3.99 0.36 0.90 1.01 -1.26 -1.58 121.20 125.81 2dic s ILE 46 Ca 0.08 -1.25 0.09 0.00 0.00 0.00 0.00 60.65 59.57 2dic s ILE 46 Cb -0.18 -3.35 -0.06 0.00 0.01 0.00 0.00 42.46 38.87 2dic s ILE 46 CO -0.13 -0.33 -0.03 0.42 0.00 0.00 0.00 174.94 174.87 2dic s THR 47 N 1.41 2.29 -0.02 2.92 -4.23 0.69 -4.97 115.64 113.72 2dic s THR 47 Ca 0.01 -2.08 0.02 0.00 -1.18 0.00 0.00 61.69 58.46 2dic s THR 47 Cb -0.21 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 70.87 2dic s THR 47 CO 0.03 -0.15 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.19 2dic s VAL 48 N -2.61 0.70 0.11 2.29 1.01 -1.26 -0.14 120.40 120.49 2dic s VAL 48 Ca 0.34 -0.31 0.10 0.00 0.00 0.00 0.00 61.98 62.11 2dic s VAL 48 Cb 0.03 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 2dic s VAL 48 CO 0.18 0.22 -0.26 -1.61 0.00 0.00 0.00 175.10 173.63 2dic s GLU 49 N 0.23 1.54 0.00 2.72 0.41 -0.97 -4.70 118.70 117.92 2dic s GLU 49 Ca -0.03 -1.27 0.00 0.00 -0.41 0.00 0.00 54.97 53.25 2dic s GLU 49 Cb -0.08 -1.94 0.00 0.00 -1.78 0.00 0.00 34.13 30.32 2dic s GLU 49 CO 0.00 0.47 0.00 0.41 -0.49 0.00 0.00 175.26 175.65 2dic n GLY 50 N 1.12 -1.07 0.00 -1.39 0.00 -1.26 -1.75 105.19 100.83 2dic n GLY 50 Ca -0.18 -0.91 0.07 0.00 0.00 0.00 0.00 46.02 45.01 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 0.31 -3.61 1.61 -0.04 -1.26 -4.72 135.00 127.29 2dic n PRO 51 Ca 0.00 0.09 -0.16 0.00 -0.04 0.00 0.00 63.50 63.39 2dic n PRO 51 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 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 -2.37 -0.51 -0.37 3.54 1.04 -1.26 -4.95 113.70 108.82 2dic s SER 52 Ca 0.17 0.56 -0.29 0.00 0.48 0.00 0.00 55.95 56.88 2dic s SER 52 Cb 0.10 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.76 2dic s SER 52 CO 0.21 -0.53 1.28 -0.70 0.98 0.00 0.00 173.24 174.49 2dic s GLU 53 N -1.11 3.78 0.23 4.02 2.12 -1.26 -4.78 118.70 121.70 2dic s GLU 53 Ca -0.11 1.00 -0.22 0.00 0.36 0.00 0.00 54.97 56.00 2dic s GLU 53 Cb -0.02 -3.92 -0.09 0.00 0.26 0.00 0.00 34.13 30.37 2dic s GLU 53 CO 0.07 -1.29 0.79 -1.12 -0.54 0.00 0.00 175.26 173.17 2dic s SER 54 N 2.98 7.19 -0.82 -1.70 0.01 -1.26 -4.65 113.70 115.45 2dic s SER 54 Ca 0.55 1.56 -0.26 0.00 1.31 0.00 0.00 55.95 59.12 2dic s SER 54 Cb -0.13 -2.47 0.03 0.00 0.21 0.00 0.00 66.02 63.65 2dic s SER 54 CO 0.27 0.05 1.41 -0.54 0.41 0.00 0.00 173.24 174.83 2dic s LYS 55 N -1.82 3.23 0.19 12.44 1.02 -0.59 -4.74 119.74 129.47 2dic s LYS 55 Ca 0.43 -0.43 -0.15 0.00 0.02 0.00 0.00 55.97 55.84 2dic s LYS 55 Cb -0.18 -4.58 -0.07 0.00 -0.52 0.00 0.00 37.83 32.47 2dic s LYS 55 CO 0.23 -2.27 0.60 0.42 -0.92 0.00 0.00 175.35 173.41 2dic s ILE 56 N 5.98 4.80 -0.17 2.17 1.01 -1.26 -2.36 121.20 131.37 2dic s ILE 56 Ca 0.42 0.87 -0.04 0.00 0.00 0.00 0.00 60.65 61.90 2dic s ILE 56 Cb -0.06 -3.73 0.08 0.00 0.01 0.00 0.00 42.46 38.76 2dic s ILE 56 CO 0.07 0.16 0.27 0.20 0.00 0.00 0.00 174.94 175.64 2dic s ASN 57 N -1.84 0.63 0.26 3.58 0.01 0.04 -4.98 114.94 112.64 2dic s ASN 57 Ca 0.41 0.31 -0.19 0.00 -0.71 0.00 0.00 52.86 52.69 2dic s ASN 57 Cb -0.14 0.67 -0.09 0.00 0.41 0.00 0.00 41.25 42.10 2dic s ASN 57 CO 0.20 -0.27 0.74 0.00 -1.51 0.00 0.00 177.10 176.26 2dic s ARG 59 N -2.31 1.29 -0.23 0.00 0.52 -0.67 -5.02 118.95 112.53 2dic s ARG 59 Ca 0.47 -0.39 -0.22 0.00 -0.52 0.00 0.00 55.73 55.07 2dic s ARG 59 Cb -0.15 -1.15 -0.02 0.00 0.52 0.00 0.00 34.95 34.16 2dic s ARG 59 CO 0.20 0.12 0.71 0.34 0.02 0.00 0.00 175.30 176.68 2dic s ASP 60 N 0.28 6.72 -0.28 0.23 2.15 -1.26 -3.24 116.67 121.27 2dic s ASP 60 Ca -0.06 0.88 -0.04 0.00 0.43 0.00 0.00 52.55 53.76 2dic s ASP 60 Cb -0.11 -2.38 0.02 0.00 -0.30 0.00 0.00 42.92 40.15 2dic s ASP 60 CO 0.01 -0.39 0.02 0.20 -0.17 0.00 0.00 175.17 174.84 2dic s ASN 61 N 1.34 4.79 -0.21 -0.34 0.01 -1.26 -4.99 114.94 114.28 2dic s ASN 61 Ca 0.30 -0.88 -0.03 0.00 -0.71 0.00 0.00 52.86 51.54 2dic s ASN 61 Cb -0.16 -1.77 -0.02 0.00 0.41 0.00 0.00 41.25 39.72 2dic s ASN 61 CO 0.09 -0.19 2.73 1.17 -1.51 0.00 0.00 177.10 179.39 2dic n LYS 62 N 4.75 1.90 0.00 -0.60 0.00 -1.26 -3.89 118.16 119.06 2dic n LYS 62 Ca -0.15 -1.36 0.00 0.00 0.00 0.00 0.00 58.31 56.80 2dic n LYS 62 Cb 0.47 -1.78 0.00 0.00 0.00 0.00 0.00 35.03 33.71 2dic n LYS 62 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2dic n ASP 63 N 1.36 0.92 0.00 3.14 8.00 -1.26 -5.05 116.55 123.66 2dic n ASP 63 Ca 0.34 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.84 2dic n ASP 63 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 2dic n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dic n GLY 64 N 2.93 0.00 2.12 0.44 0.00 -1.25 -5.17 105.19 104.25 2dic n GLY 64 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 2dic n GLY 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dic n SER 65 N 0.00 -0.71 -4.06 1.61 3.41 -1.26 -4.46 113.62 108.14 2dic n SER 65 Ca 0.00 -1.21 -0.16 0.00 -0.26 0.00 0.00 58.87 57.24 2dic n SER 65 Cb 0.00 1.11 -0.13 0.00 -0.26 0.00 0.00 64.21 64.93 2dic n SER 65 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dic s SER 67 N -1.05 3.46 -0.05 0.00 0.01 -1.20 -2.50 113.70 112.36 2dic s SER 67 Ca -0.03 -0.38 -0.02 0.00 1.31 0.00 0.00 55.95 56.83 2dic s SER 67 Cb -0.07 -0.77 0.03 0.00 0.21 0.00 0.00 66.02 65.42 2dic s SER 67 CO 0.01 0.29 0.05 0.00 0.41 0.00 0.00 173.24 174.00 2dic s ALA 68 N -0.43 0.33 0.16 1.44 0.00 -1.25 -1.67 121.76 120.34 2dic s ALA 68 Ca 0.04 0.10 0.09 0.00 0.00 0.00 0.00 51.96 52.19 2dic s ALA 68 Cb -0.12 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.30 2dic s ALA 68 CO 0.01 -0.52 -0.11 -1.83 0.00 0.00 0.00 175.76 173.32 2dic s GLU 69 N 2.13 2.03 0.02 0.00 1.03 -0.97 -3.05 118.70 119.89 2dic s GLU 69 Ca 0.05 -1.21 -0.15 0.00 0.03 0.00 0.00 54.97 53.69 2dic s GLU 69 Cb -0.12 -2.18 0.02 0.00 -0.80 0.00 0.00 34.13 31.05 2dic s GLU 69 CO -0.04 0.46 0.33 1.52 -1.33 0.00 0.00 175.26 176.19 2dic s TYR 70 N -1.52 -0.16 -0.23 4.83 -0.85 0.23 -0.78 117.35 118.87 2dic s TYR 70 Ca 0.23 0.13 -0.04 0.00 -0.52 0.00 0.00 57.07 56.87 2dic s TYR 70 Cb -0.10 0.12 0.08 0.00 0.38 0.00 0.00 41.96 42.44 2dic s TYR 70 CO 0.14 -0.47 0.12 0.42 -1.52 0.00 0.00 175.55 174.24 2dic s ILE 71 N -2.06 -0.10 1.11 -3.49 1.01 -0.99 -1.73 121.20 114.95 2dic s ILE 71 Ca -0.08 -0.45 -0.16 0.00 0.00 0.00 0.00 60.65 59.96 2dic s ILE 71 Cb -0.02 -0.78 0.24 0.00 0.01 0.00 0.00 42.46 41.91 2dic s ILE 71 CO -0.00 -0.50 1.10 -2.16 0.00 0.00 0.00 174.94 173.38 2dic s PRO 72 N 2.13 -0.46 0.00 2.79 0.04 -1.26 -1.54 135.00 136.70 2dic s PRO 72 Ca 0.06 0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.31 2dic s PRO 72 Cb -0.16 -1.66 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2dic s PRO 72 CO -0.23 -3.26 0.00 1.19 0.04 0.00 0.00 177.00 174.74 2dic n PHE 73 N -4.49 0.00 -3.82 0.56 3.72 -1.26 -1.48 117.46 110.69 2dic n PHE 73 Ca 0.09 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.37 2dic n PHE 73 Cb 0.58 0.00 -0.11 0.00 -0.94 0.00 0.00 39.48 39.01 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 -0.86 -0.48 0.47 4.37 0.00 -1.26 -4.82 121.76 119.18 2dic s ALA 74 Ca 0.00 0.37 -0.23 0.00 0.00 0.00 0.00 51.96 52.10 2dic s ALA 74 Cb 0.00 -0.19 -0.07 0.00 0.00 0.00 0.00 23.12 22.86 2dic s ALA 74 CO 0.00 -0.14 1.16 -1.25 0.00 0.00 0.00 175.76 175.53 2dic s PRO 75 N -0.39 3.73 0.00 0.00 0.04 -1.26 -4.81 135.00 132.30 2dic s PRO 75 Ca -0.05 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.75 2dic s PRO 75 Cb -0.03 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.13 2dic s PRO 75 CO 0.01 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 176.89 2dic n GLY 76 N 0.43 -0.79 3.55 0.56 0.00 -0.99 -4.93 105.19 103.01 2dic n GLY 76 Ca 0.08 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 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 -4.00 6.28 0.10 1.61 1.47 -1.26 -1.87 116.67 118.99 2dic s ASP 77 Ca 0.00 -0.11 0.04 0.00 1.18 0.00 0.00 52.55 53.66 2dic s ASP 77 Cb 0.00 -2.25 -0.04 0.00 -0.34 0.00 0.00 42.92 40.29 2dic s ASP 77 CO 0.00 -0.45 0.05 -0.31 0.68 0.00 0.00 175.17 175.14 2dic s TYR 78 N 2.29 3.09 -0.22 2.11 1.51 -1.17 -4.69 117.35 120.27 2dic s TYR 78 Ca 0.17 0.01 0.01 0.00 -1.01 0.00 0.00 57.07 56.26 2dic s TYR 78 Cb -0.16 -1.56 0.05 0.00 -0.11 0.00 0.00 41.96 40.18 2dic s TYR 78 CO 0.13 0.50 -0.10 -0.51 -1.11 0.00 0.00 175.55 174.47 2dic s ASP 79 N -2.46 3.80 -0.48 2.29 1.11 -0.72 -1.98 116.67 118.23 2dic s ASP 79 Ca 0.28 -1.10 -0.29 0.00 0.18 0.00 0.00 52.55 51.63 2dic s ASP 79 Cb -0.12 -1.32 0.02 0.00 1.07 0.00 0.00 42.92 42.57 2dic s ASP 79 CO 0.20 -0.17 1.23 -0.69 1.18 0.00 0.00 175.17 176.92 2dic s VAL 80 N 1.30 4.08 -0.39 -1.27 1.01 -1.04 -2.30 120.40 121.80 2dic s VAL 80 Ca -0.04 1.08 -0.20 0.00 0.00 0.00 0.00 61.98 62.82 2dic s VAL 80 Cb -0.18 -4.52 0.01 0.00 0.00 0.00 0.00 36.38 31.69 2dic s VAL 80 CO -0.07 -1.01 0.60 0.20 0.00 0.00 0.00 175.10 174.82 2dic s ASN 81 N 2.99 6.34 -0.16 3.32 0.01 0.80 -2.40 114.94 125.85 2dic s ASN 81 Ca 0.51 -0.14 0.02 0.00 -0.71 0.00 0.00 52.86 52.54 2dic s ASN 81 Cb -0.09 -2.30 0.02 0.00 0.41 0.00 0.00 41.25 39.28 2dic s ASN 81 CO 0.31 -0.64 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.43 2dic s ILE 82 N 2.64 2.02 -0.02 0.60 1.01 -1.26 -0.22 121.20 125.97 2dic s ILE 82 Ca 0.21 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.96 2dic s ILE 82 Cb -0.15 -1.81 -0.00 0.00 0.01 0.00 0.00 42.46 40.51 2dic s ILE 82 CO 0.16 0.54 -0.11 0.42 0.00 0.00 0.00 174.94 175.95 2dic s THR 83 N 1.08 0.88 -0.40 2.92 -4.23 -0.62 -3.08 115.64 112.20 2dic s THR 83 Ca -0.01 -0.45 -0.10 0.00 -1.18 0.00 0.00 61.69 59.95 2dic s THR 83 Cb -0.14 -0.75 0.06 0.00 1.34 0.00 0.00 72.50 73.00 2dic s THR 83 CO -0.08 0.26 0.24 -0.47 -0.54 0.00 0.00 174.62 174.03 2dic s TYR 84 N -0.10 3.29 0.00 3.99 5.04 -0.61 -0.87 117.35 128.09 2dic s TYR 84 Ca 0.02 -1.28 0.00 0.00 -2.44 0.00 0.00 57.07 53.36 2dic s TYR 84 Cb -0.06 -2.73 0.00 0.00 0.35 0.00 0.00 41.96 39.52 2dic s TYR 84 CO -0.00 -0.77 0.00 0.41 -1.34 0.00 0.00 175.55 173.85 2dic n GLY 85 N 4.95 1.40 0.47 8.97 0.00 0.79 -2.99 105.19 118.78 2dic n GLY 85 Ca -0.11 -0.02 -0.02 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 0.21 3.24 -0.02 0.00 -1.26 -4.80 105.19 102.57 2dic n GLY 86 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 1.34 -0.22 4.61 0.00 -1.16 -5.15 121.76 121.19 2dic s ALA 87 Ca 0.00 -1.65 -0.09 0.00 0.00 0.00 0.00 51.96 50.23 2dic s ALA 87 Cb 0.00 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.86 2dic s ALA 87 CO 0.00 -0.40 0.11 -1.01 0.00 0.00 0.00 175.76 174.45 2dic s HIS 88 N -3.78 3.26 0.56 0.00 0.09 -1.26 -1.58 115.29 112.58 2dic s HIS 88 Ca 0.28 0.08 -0.19 0.00 -0.00 0.00 0.00 55.06 55.23 2dic s HIS 88 Cb 0.07 -2.18 -0.05 0.00 -0.00 0.00 0.00 32.58 30.42 2dic s HIS 88 CO 0.06 0.05 1.12 0.96 -0.00 0.00 0.00 174.74 176.94 2dic s ILE 89 N 0.82 3.21 -1.02 0.60 -4.36 -1.18 -4.88 121.20 114.39 2dic s ILE 89 Ca 0.05 0.72 -0.24 0.00 -0.26 0.00 0.00 60.65 60.93 2dic s ILE 89 Cb -0.13 -3.27 -0.06 0.00 1.25 0.00 0.00 42.46 40.24 2dic s ILE 89 CO 0.02 -0.19 1.94 -2.16 0.24 0.00 0.00 174.94 174.79 2dic s PRO 90 N -3.41 2.54 0.00 0.37 0.04 -1.25 -2.62 135.00 130.67 2dic s PRO 90 Ca 0.72 -0.66 0.00 0.00 0.04 0.00 0.00 61.00 61.09 2dic s PRO 90 Cb -0.23 -5.14 0.00 0.00 0.04 0.00 0.00 34.50 29.17 2dic s PRO 90 CO 0.29 -3.62 0.00 0.41 0.04 0.00 0.00 177.00 174.12 2dic n GLY 91 N 6.41 0.05 3.81 0.56 0.00 -1.26 -4.99 105.19 109.77 2dic n GLY 91 Ca 0.42 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.16 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 5.64 0.68 1.61 0.15 -1.08 -3.89 113.70 116.82 2dic s SER 92 Ca 0.00 -0.05 -0.14 0.00 0.70 0.00 0.00 55.95 56.46 2dic s SER 92 Cb 0.00 -1.52 0.01 0.00 -1.71 0.00 0.00 66.02 62.80 2dic s SER 92 CO 0.00 0.10 1.11 -2.16 1.20 0.00 0.00 173.24 173.49 2dic s PRO 93 N -2.88 2.68 -0.31 5.44 0.04 -1.26 -4.88 135.00 133.83 2dic s PRO 93 Ca 0.31 1.34 -0.08 0.00 0.04 0.00 0.00 61.00 62.61 2dic s PRO 93 Cb -0.11 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.50 2dic s PRO 93 CO 0.24 -1.34 0.12 -0.06 0.04 0.00 0.00 177.00 176.00 2dic s PHE 94 N -2.46 3.18 0.12 0.56 0.40 -1.01 -4.81 117.98 113.96 2dic s PHE 94 Ca 0.66 -0.88 -0.31 0.00 -0.60 0.00 0.00 56.93 55.79 2dic s PHE 94 Cb -0.20 -2.31 -0.09 0.00 0.51 0.00 0.00 43.02 40.93 2dic s PHE 94 CO 0.45 -0.56 1.53 0.50 0.70 0.00 0.00 175.22 177.84 2dic s ARG 95 N 1.54 4.24 -0.17 0.44 6.06 -1.26 -2.49 118.95 127.31 2dic s ARG 95 Ca 0.03 2.25 -0.04 0.00 -2.50 0.00 0.00 55.73 55.47 2dic s ARG 95 Cb -0.18 -3.31 0.06 0.00 0.06 0.00 0.00 34.95 31.59 2dic s ARG 95 CO 0.04 -0.59 0.07 0.08 -2.50 0.00 0.00 175.30 172.41 2dic s VAL 96 N 1.55 0.10 -0.25 7.11 1.01 -0.84 -4.80 120.40 124.28 2dic s VAL 96 Ca 0.69 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 62.11 2dic s VAL 96 Cb -0.40 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.25 2dic s VAL 96 CO 0.31 -0.25 1.63 -2.16 0.00 0.00 0.00 175.10 174.63 2dic s PRO 97 N 2.05 3.70 -0.46 2.72 0.04 -1.26 -3.04 135.00 138.75 2dic s PRO 97 Ca 0.01 1.57 -0.18 0.00 0.04 0.00 0.00 61.00 62.44 2dic s PRO 97 Cb -0.16 -4.06 0.04 0.00 0.04 0.00 0.00 34.50 30.36 2dic s PRO 97 CO -0.09 -1.41 0.52 0.08 0.04 0.00 0.00 177.00 176.15 2dic s VAL 98 N 5.50 5.00 0.28 -0.36 1.01 -0.78 -2.76 120.40 128.30 2dic s VAL 98 Ca 0.72 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 62.31 2dic s VAL 98 Cb -0.24 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 31.96 2dic s VAL 98 CO 0.30 -0.60 0.36 -0.54 0.00 0.00 0.00 175.10 174.62 2dic s LYS 99 N 2.32 3.16 -0.18 2.72 1.02 -1.14 -2.35 119.74 125.28 2dic s LYS 99 Ca 0.13 -0.96 -0.13 0.00 0.02 0.00 0.00 55.97 55.03 2dic s LYS 99 Cb -0.19 -2.76 -0.05 0.00 -0.52 0.00 0.00 37.83 34.32 2dic s LYS 99 CO 0.13 0.26 0.26 -0.51 -0.92 0.00 0.00 175.35 174.56 2dic s ASP 100 N -4.02 6.35 0.20 2.83 1.11 -1.26 -0.92 116.67 120.96 2dic s ASP 100 Ca 0.38 0.40 -0.16 0.00 0.18 0.00 0.00 52.55 53.36 2dic s ASP 100 Cb -0.09 -2.16 0.20 0.00 1.07 0.00 0.00 42.92 41.95 2dic s ASP 100 CO 0.29 0.09 1.62 0.58 1.18 0.00 0.00 175.17 178.93 2dic h VAL 101 N 4.76 0.33 -3.45 -1.27 2.07 -1.97 -3.39 116.25 113.33 2dic h VAL 101 Ca -0.40 0.00 -0.66 0.00 0.82 0.00 0.00 66.70 66.46 2dic h VAL 101 Cb 1.16 0.33 -0.23 0.00 -1.52 0.00 0.00 31.29 31.03 2dic h VAL 101 CO 0.74 0.00 -0.72 -0.69 0.02 0.00 0.00 177.57 176.93 2dic s VAL 102 N -6.18 3.48 -0.02 2.57 1.01 -1.26 -5.12 120.40 114.89 2dic s VAL 102 Ca -0.14 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 2dic s VAL 102 Cb 0.18 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 2dic s VAL 102 CO 0.72 0.54 0.13 1.51 0.00 0.00 0.00 175.10 178.00 2dic s ASP 103 N 0.02 6.04 -0.19 3.32 -4.77 -1.26 -5.06 116.67 114.76 2dic s ASP 103 Ca -0.02 0.26 -0.29 0.00 -3.30 0.00 0.00 52.55 49.20 2dic s ASP 103 Cb -0.14 -1.83 -0.03 0.00 -1.09 0.00 0.00 42.92 39.83 2dic s ASP 103 CO 0.03 0.28 1.58 -2.16 0.70 0.00 0.00 175.17 175.61 2dic s PRO 104 N -1.75 3.91 0.00 2.11 0.04 -1.26 -5.23 135.00 132.82 2dic s PRO 104 Ca 0.24 1.75 0.00 0.00 0.04 0.00 0.00 61.00 63.03 2dic s PRO 104 Cb -0.12 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.42 2dic s PRO 104 CO 0.15 -1.15 0.02 0.43 0.04 0.00 0.00 177.00 176.49