#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 2.89 -0.09 1.61 0.15 -1.26 -5.13 113.70 111.87 2dic s SER 2 Ca 0.00 -0.55 -0.32 0.00 0.70 0.00 0.00 55.95 55.78 2dic s SER 2 Cb 0.00 -0.26 0.12 0.00 -1.71 0.00 0.00 66.02 64.17 2dic s SER 2 CO 0.00 0.23 1.10 -0.55 1.20 0.00 0.00 173.24 175.22 2dic s SER 3 N -1.14 -0.21 0.00 5.45 0.15 -1.26 -4.82 113.70 111.88 2dic s SER 3 Ca 0.10 -0.04 0.00 0.00 0.70 0.00 0.00 55.95 56.71 2dic s SER 3 Cb -0.09 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 2dic s SER 3 CO 0.02 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.66 2dic n GLY 4 N -0.20 0.15 3.73 9.45 0.00 -1.26 -5.13 105.19 111.92 2dic n GLY 4 Ca -0.04 0.52 -0.41 0.00 0.00 0.00 0.00 46.02 46.09 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 2.00 7.27 0.58 1.61 0.01 -1.26 -5.01 113.70 118.90 2dic s SER 5 Ca 0.00 1.98 -0.18 0.00 1.31 0.00 0.00 55.95 59.06 2dic s SER 5 Cb 0.00 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 2dic s SER 5 CO 0.00 -0.26 1.14 -0.44 0.41 0.00 0.00 173.24 174.09 2dic s SER 6 N 0.29 5.45 0.00 2.44 0.01 -1.26 -4.96 113.70 115.67 2dic s SER 6 Ca 0.51 2.17 0.00 0.00 1.31 0.00 0.00 55.95 59.95 2dic s SER 6 Cb -0.28 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.38 2dic s SER 6 CO 0.32 -1.41 0.00 0.61 0.41 0.00 0.00 173.24 173.18 2dic n GLY 7 N 0.06 -0.53 0.00 3.44 0.00 -1.26 -5.12 105.19 101.77 2dic n GLY 7 Ca 0.12 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2dic n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dic n GLY 8 N 0.41 -1.78 3.75 -0.02 0.00 -1.26 -5.15 105.19 101.14 2dic n GLY 8 Ca 0.00 0.77 -0.41 0.00 0.00 0.00 0.00 46.02 46.38 2dic n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dic s GLN 10 N -0.61 0.21 0.28 0.00 -1.52 -1.19 -5.00 119.66 111.82 2dic s GLN 10 Ca 0.52 0.04 0.24 0.00 -1.95 0.00 0.00 55.36 54.21 2dic s GLN 10 Cb -0.35 -1.33 1.01 0.00 -0.22 0.00 0.00 33.01 32.12 2dic s GLN 10 CO 0.40 -0.50 1.73 -0.35 -0.25 0.00 0.00 175.29 176.32 2dic n PRO 11 N 5.23 0.21 0.15 2.91 -0.04 -1.26 -2.28 135.00 139.91 2dic n PRO 11 Ca -0.06 0.44 0.07 0.00 -0.04 0.00 0.00 63.50 63.91 2dic n PRO 11 Cb 0.49 -1.90 0.06 0.00 -0.04 0.00 0.00 33.50 32.11 2dic n PRO 11 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2dic h SER 12 N 0.00 0.00 1.28 3.54 4.64 -1.95 -3.22 113.55 117.84 2dic h SER 12 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2dic h SER 12 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2dic h SER 12 CO 0.00 0.23 0.00 0.54 -0.87 0.00 0.00 176.83 176.73 2dic n ARG 13 N -3.03 0.20 -2.71 4.77 5.12 -0.96 -4.81 116.66 115.24 2dic n ARG 13 Ca 0.01 0.20 -0.39 0.00 -1.93 0.00 0.00 57.85 55.74 2dic n ARG 13 Cb 0.64 -1.75 -0.06 0.00 -1.16 0.00 0.00 32.46 30.13 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 -3.11 4.01 0.05 1.55 1.01 -1.22 -4.33 120.40 118.37 2dic s VAL 14 Ca 0.10 1.85 0.05 0.00 0.00 0.00 0.00 61.98 63.98 2dic s VAL 14 Cb 0.13 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 2dic s VAL 14 CO 0.55 0.31 -0.15 -1.58 0.00 0.00 0.00 175.10 174.23 2dic s GLN 15 N -1.65 0.93 -0.10 2.72 0.74 -0.88 -4.76 119.66 116.67 2dic s GLN 15 Ca 0.46 -0.82 -0.01 0.00 0.05 0.00 0.00 55.36 55.04 2dic s GLN 15 Cb -0.24 -0.95 0.03 0.00 1.10 0.00 0.00 33.01 32.95 2dic s GLN 15 CO 0.30 0.23 -0.01 0.00 -0.55 0.00 0.00 175.29 175.25 2dic s ALA 16 N -0.95 0.90 -0.07 1.58 0.00 -1.26 -1.66 121.76 120.30 2dic s ALA 16 Ca 0.01 -0.30 -0.06 0.00 0.00 0.00 0.00 51.96 51.61 2dic s ALA 16 Cb -0.08 -0.84 0.02 0.00 0.00 0.00 0.00 23.12 22.22 2dic s ALA 16 CO 0.02 -0.53 0.18 1.14 0.00 0.00 0.00 175.76 176.56 2dic s GLN 17 N 1.89 0.19 0.00 0.00 -2.07 -0.39 -5.00 119.66 114.28 2dic s GLN 17 Ca 0.04 0.28 0.00 0.00 -1.82 0.00 0.00 55.36 53.87 2dic s GLN 17 Cb -0.13 0.04 0.00 0.00 -1.09 0.00 0.00 33.01 31.83 2dic s GLN 17 CO -0.06 -0.05 0.00 0.41 -1.32 0.00 0.00 175.29 174.26 2dic n GLY 18 N 3.25 -1.41 0.19 2.60 0.00 -1.26 -0.20 105.19 108.36 2dic n GLY 18 Ca -0.15 -1.46 -0.13 0.00 0.00 0.00 0.00 46.02 44.27 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 1.85 0.60 0.00 1.61 0.13 -1.87 -2.58 132.00 131.75 2dic h PRO 19 Ca 0.00 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2dic h PRO 19 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2dic h PRO 19 CO 0.00 0.91 0.21 0.41 -0.23 0.00 0.00 178.00 179.30 2dic n GLY 20 N 0.17 -0.70 0.03 1.56 0.00 -0.64 0.12 105.19 105.73 2dic n GLY 20 Ca -0.05 0.15 0.03 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.13 0.00 -0.07 0.99 4.77 -1.13 -4.72 117.00 114.71 2dic n LEU 21 Ca -0.01 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.91 2dic n LEU 21 Cb 0.23 0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 2dic n LEU 21 CO 0.07 0.10 -0.40 0.29 -1.33 0.00 0.00 177.39 176.12 2dic n LYS 22 N -2.17 0.47 -3.81 3.23 4.01 0.68 -4.59 118.16 115.97 2dic n LYS 22 Ca -0.09 0.49 -0.12 0.00 -0.51 0.00 0.00 58.31 58.08 2dic n LYS 22 Cb 0.56 -1.66 -0.10 0.00 -0.51 0.00 0.00 35.03 33.32 2dic n LYS 22 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 2dic s GLU 23 N -2.33 0.52 0.20 1.97 2.12 0.12 -4.29 118.70 117.00 2dic s GLU 23 Ca -0.17 -0.18 0.04 0.00 0.36 0.00 0.00 54.97 55.01 2dic s GLU 23 Cb 0.02 0.22 -0.01 0.00 0.26 0.00 0.00 34.13 34.63 2dic s GLU 23 CO 0.26 -0.13 0.13 0.00 -0.54 0.00 0.00 175.26 174.98 2dic n ALA 24 N 1.67 0.37 -2.81 6.30 0.00 -1.19 -4.04 120.51 120.81 2dic n ALA 24 Ca -0.20 -1.10 -0.09 0.00 0.00 0.00 0.00 53.44 52.04 2dic n ALA 24 Cb 0.56 0.84 -0.06 0.00 0.00 0.00 0.00 19.45 20.79 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 -2.64 0.13 0.04 0.00 0.40 -1.26 -2.83 117.98 111.82 2dic s PHE 25 Ca 0.19 -0.50 -0.30 0.00 -0.60 0.00 0.00 56.93 55.71 2dic s PHE 25 Cb 0.01 0.07 -0.05 0.00 0.51 0.00 0.00 43.02 43.56 2dic s PHE 25 CO 0.13 -0.69 1.11 0.95 0.70 0.00 0.00 175.22 177.42 2dic s THR 26 N -3.89 4.36 -1.67 0.64 -4.23 -0.34 -3.23 115.64 107.28 2dic s THR 26 Ca 0.09 1.71 -0.02 0.00 -1.18 0.00 0.00 61.69 62.29 2dic s THR 26 Cb 0.03 -4.09 0.00 0.00 1.34 0.00 0.00 72.50 69.78 2dic s THR 26 CO -0.06 0.14 0.23 0.59 -0.54 0.00 0.00 174.62 174.98 2dic n ASN 27 N 3.84 -5.88 -4.26 3.99 5.03 -0.45 -4.73 115.26 112.81 2dic n ASN 27 Ca 0.07 -0.11 -0.27 0.00 0.87 0.00 0.00 54.58 55.14 2dic n ASN 27 Cb 0.48 -4.84 -0.15 0.00 -1.02 0.00 0.00 39.78 34.26 2dic n ASN 27 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2dic s LYS 28 N -5.31 1.53 -0.32 3.52 1.02 -1.20 -5.01 119.74 113.98 2dic s LYS 28 Ca 0.12 -0.94 -0.29 0.00 0.02 0.00 0.00 55.97 54.89 2dic s LYS 28 Cb -0.05 -1.63 -0.01 0.00 -0.52 0.00 0.00 37.83 35.62 2dic s LYS 28 CO 0.15 0.42 1.68 -1.25 -0.92 0.00 0.00 175.35 175.43 2dic s PRO 29 N -1.05 3.49 -0.24 -1.68 0.04 -1.26 -4.44 135.00 129.86 2dic s PRO 29 Ca 0.08 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.51 2dic s PRO 29 Cb -0.09 -4.12 0.03 0.00 0.04 0.00 0.00 34.50 30.36 2dic s PRO 29 CO 0.01 -1.66 -0.11 -0.80 0.04 0.00 0.00 177.00 174.48 2dic s ASN 30 N 5.21 4.07 0.37 6.66 0.01 -0.74 -4.99 114.94 125.53 2dic s ASN 30 Ca 0.74 -0.97 0.06 0.00 -0.71 0.00 0.00 52.86 51.99 2dic s ASN 30 Cb -0.21 -1.59 -0.07 0.00 0.41 0.00 0.00 41.25 39.79 2dic s ASN 30 CO 0.33 -0.12 0.01 0.68 -1.51 0.00 0.00 177.10 176.49 2dic s VAL 31 N 1.25 1.73 0.13 1.60 -7.23 -1.26 -1.01 120.40 115.61 2dic s VAL 31 Ca -0.01 -2.03 -0.19 0.00 -1.81 0.00 0.00 61.98 57.94 2dic s VAL 31 Cb -0.17 -2.86 0.05 0.00 0.56 0.00 0.00 36.38 33.96 2dic s VAL 31 CO -0.07 -0.04 0.48 0.72 -0.31 0.00 0.00 175.10 175.88 2dic s PHE 32 N -2.92 -0.34 -0.23 2.82 -0.71 -1.13 -1.61 117.98 113.86 2dic s PHE 32 Ca 0.35 0.08 -0.17 0.00 -1.04 0.00 0.00 56.93 56.15 2dic s PHE 32 Cb 0.08 0.37 -0.03 0.00 -1.21 0.00 0.00 43.02 42.23 2dic s PHE 32 CO 0.17 -0.75 0.46 0.99 -1.34 0.00 0.00 175.22 174.74 2dic s THR 33 N -3.68 5.14 -0.63 -4.49 2.01 0.72 -3.88 115.64 110.83 2dic s THR 33 Ca 0.02 0.80 0.02 0.00 0.31 0.00 0.00 61.69 62.83 2dic s THR 33 Cb 0.01 -3.78 0.16 0.00 0.01 0.00 0.00 72.50 68.89 2dic s THR 33 CO -0.12 0.18 0.42 -0.69 -0.69 0.00 0.00 174.62 173.72 2dic s VAL 34 N 1.75 3.18 -0.15 3.82 1.01 -1.16 -1.26 120.40 127.60 2dic s VAL 34 Ca 0.20 -3.47 -0.29 0.00 0.00 0.00 0.00 61.98 58.42 2dic s VAL 34 Cb -0.15 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 2dic s VAL 34 CO 0.09 -0.90 1.78 -0.69 0.00 0.00 0.00 175.10 175.38 2dic s VAL 35 N -0.58 3.45 -0.25 2.92 1.01 -0.66 -1.16 120.40 125.13 2dic s VAL 35 Ca 0.20 0.51 0.11 0.00 0.00 0.00 0.00 61.98 62.80 2dic s VAL 35 Cb -0.18 -3.43 0.46 0.00 0.00 0.00 0.00 36.38 33.22 2dic s VAL 35 CO -0.05 -0.16 1.18 0.35 0.00 0.00 0.00 175.10 176.42 2dic n THR 36 N 6.32 2.13 0.12 3.92 -2.24 -1.21 -2.07 114.28 121.24 2dic n THR 36 Ca 0.20 -3.63 -0.23 0.00 -2.27 0.00 0.00 64.05 58.13 2dic n THR 36 Cb 0.44 -0.46 -0.14 0.00 -2.10 0.00 0.00 70.33 68.07 2dic n THR 36 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 2dic h ARG 37 N 1.92 0.57 0.06 -0.78 -0.00 -1.88 -3.28 114.38 110.98 2dic h ARG 37 Ca 0.18 -0.84 -0.24 0.00 -0.00 0.00 0.00 59.98 59.08 2dic h ARG 37 Cb 1.40 0.29 -0.00 0.00 -0.00 0.00 0.00 29.97 31.66 2dic h ARG 37 CO 0.47 1.39 -1.07 0.78 -0.00 0.00 0.00 179.97 181.54 2dic h GLY 38 N 0.36 0.28 0.40 0.08 0.00 -1.86 -3.33 103.07 99.00 2dic h GLY 38 Ca -0.21 -0.61 0.02 0.00 0.00 0.00 0.00 47.33 46.53 2dic h GLY 38 CO 0.25 0.54 -0.33 0.00 0.00 0.00 0.00 176.54 177.00 2dic h ALA 39 N 0.75 -0.56 0.00 3.60 0.00 -1.75 -3.45 119.26 117.85 2dic h ALA 39 Ca -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2dic h ALA 39 Cb 1.76 0.55 0.00 0.00 0.00 0.00 0.00 17.79 20.10 2dic h ALA 39 CO 0.17 -0.87 0.00 0.41 0.00 0.00 0.00 179.25 178.96 2dic n GLY 40 N -1.42 0.14 2.99 0.00 0.00 -1.24 -3.19 105.19 102.47 2dic n GLY 40 Ca -0.06 -1.30 -0.20 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 0.74 -1.03 -0.61 1.01 -1.26 -4.90 121.20 115.15 2dic s ILE 41 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.32 2dic s ILE 41 Cb 0.00 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.80 2dic s ILE 41 CO 0.00 0.24 0.00 0.61 0.00 0.00 0.00 174.94 175.79 2dic n GLY 42 N 3.35 -1.36 3.42 6.18 0.00 -1.26 -4.75 105.19 110.77 2dic n GLY 42 Ca -0.19 -0.97 -0.44 0.00 0.00 0.00 0.00 46.02 44.42 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 1.59 0.11 -0.02 0.00 -1.26 -4.83 107.32 102.91 2dic s GLY 43 Ca 0.00 -2.09 -0.25 0.00 0.00 0.00 0.00 44.72 42.38 2dic s GLY 43 CO 0.00 1.85 0.78 -2.27 0.00 0.00 0.00 173.10 173.45 2dic s LEU 44 N 3.34 4.53 -0.08 0.66 2.96 -1.26 -0.16 118.68 128.67 2dic s LEU 44 Ca 0.18 1.56 0.00 0.00 -0.22 0.00 0.00 54.13 55.65 2dic s LEU 44 Cb -0.19 -3.27 0.02 0.00 0.50 0.00 0.00 46.19 43.25 2dic s LEU 44 CO 0.07 0.12 -0.06 -0.83 -1.32 0.00 0.00 176.35 174.33 2dic s GLY 45 N -0.63 0.65 -0.19 7.98 0.00 -0.01 -4.96 107.32 110.17 2dic s GLY 45 Ca 0.37 -0.32 0.01 0.00 0.00 0.00 0.00 44.72 44.79 2dic s GLY 45 CO 0.25 0.72 -0.16 -0.42 0.00 0.00 0.00 173.10 173.48 2dic s ILE 46 N 1.46 1.93 0.17 0.90 1.01 -1.26 -1.37 121.20 124.03 2dic s ILE 46 Ca -0.01 -1.00 0.07 0.00 0.00 0.00 0.00 60.65 59.71 2dic s ILE 46 Cb -0.13 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 2dic s ILE 46 CO -0.04 0.39 -0.15 0.42 0.00 0.00 0.00 174.94 175.56 2dic s THR 47 N 1.31 1.61 -0.10 2.92 -4.23 0.24 -4.97 115.64 112.42 2dic s THR 47 Ca 0.02 -1.97 0.02 0.00 -1.18 0.00 0.00 61.69 58.58 2dic s THR 47 Cb -0.14 -1.82 0.01 0.00 1.34 0.00 0.00 72.50 71.88 2dic s THR 47 CO -0.11 -0.47 -0.16 -0.69 -0.54 0.00 0.00 174.62 172.65 2dic s VAL 48 N -2.47 1.52 -0.09 2.29 1.01 -1.26 0.14 120.40 121.54 2dic s VAL 48 Ca 0.16 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.48 2dic s VAL 48 Cb -0.03 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 2dic s VAL 48 CO 0.05 0.44 -0.11 -1.61 0.00 0.00 0.00 175.10 173.88 2dic s GLU 49 N 0.81 2.92 0.00 2.72 2.02 -1.10 -4.67 118.70 121.40 2dic s GLU 49 Ca -0.10 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.25 2dic s GLU 49 Cb -0.16 -2.56 0.00 0.00 0.10 0.00 0.00 34.13 31.52 2dic s GLU 49 CO 0.01 0.49 0.00 0.41 0.02 0.00 0.00 175.26 176.19 2dic n GLY 50 N 2.73 1.14 0.00 -1.39 0.00 -1.26 -1.05 105.19 105.35 2dic n GLY 50 Ca -0.18 -0.88 0.08 0.00 0.00 0.00 0.00 46.02 45.04 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 0.33 -3.57 1.61 -0.04 -1.26 -4.72 135.00 127.35 2dic n PRO 51 Ca 0.00 0.08 -0.17 0.00 -0.04 0.00 0.00 63.50 63.38 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 -2.32 -0.65 0.17 3.54 1.04 -1.26 -4.94 113.70 109.28 2dic s SER 52 Ca 0.18 0.89 -0.31 0.00 0.48 0.00 0.00 55.95 57.19 2dic s SER 52 Cb 0.10 0.79 -0.10 0.00 0.10 0.00 0.00 66.02 66.92 2dic s SER 52 CO 0.21 -0.49 1.53 -0.70 0.98 0.00 0.00 173.24 174.76 2dic s GLU 53 N -0.73 4.23 -0.03 4.02 2.56 -1.26 -4.64 118.70 122.86 2dic s GLU 53 Ca -0.08 2.32 0.01 0.00 0.00 0.00 0.00 54.97 57.22 2dic s GLU 53 Cb -0.02 -3.16 -0.03 0.00 2.00 0.00 0.00 34.13 32.92 2dic s GLU 53 CO 0.07 -0.56 -0.02 -1.12 -0.56 0.00 0.00 175.26 173.07 2dic s SER 54 N 1.01 4.99 -0.83 -1.70 0.01 -1.26 -4.19 113.70 111.72 2dic s SER 54 Ca 0.68 -0.01 -0.26 0.00 1.31 0.00 0.00 55.95 57.67 2dic s SER 54 Cb -0.43 -1.29 0.03 0.00 0.21 0.00 0.00 66.02 64.54 2dic s SER 54 CO 0.33 0.31 1.38 -0.54 0.41 0.00 0.00 173.24 175.13 2dic s LYS 55 N -1.30 3.28 0.20 12.44 1.02 -0.63 -4.76 119.74 129.98 2dic s LYS 55 Ca 0.17 -0.50 -0.14 0.00 0.02 0.00 0.00 55.97 55.52 2dic s LYS 55 Cb -0.11 -4.61 -0.07 0.00 -0.52 0.00 0.00 37.83 32.51 2dic s LYS 55 CO 0.07 -2.23 0.59 0.42 -0.92 0.00 0.00 175.35 173.28 2dic s ILE 56 N 5.76 4.82 -0.23 2.17 1.01 -1.26 -2.19 121.20 131.27 2dic s ILE 56 Ca 0.41 0.81 -0.04 0.00 0.00 0.00 0.00 60.65 61.84 2dic s ILE 56 Cb -0.05 -3.71 0.12 0.00 0.01 0.00 0.00 42.46 38.83 2dic s ILE 56 CO 0.06 0.11 0.39 0.20 0.00 0.00 0.00 174.94 175.70 2dic s ASN 57 N -1.93 0.09 -0.06 3.58 0.01 0.20 -4.97 114.94 111.86 2dic s ASN 57 Ca 0.43 0.42 -0.02 0.00 -0.71 0.00 0.00 52.86 52.99 2dic s ASN 57 Cb -0.14 1.19 -0.04 0.00 0.41 0.00 0.00 41.25 42.67 2dic s ASN 57 CO 0.20 -0.28 0.04 0.00 -1.51 0.00 0.00 177.10 175.54 2dic s ARG 59 N -1.23 1.45 -0.26 0.00 3.52 0.28 -5.01 118.95 117.71 2dic s ARG 59 Ca 0.17 -1.48 -0.10 0.00 -0.13 0.00 0.00 55.73 54.19 2dic s ARG 59 Cb -0.12 -1.74 -0.05 0.00 -1.56 0.00 0.00 34.95 31.49 2dic s ARG 59 CO 0.07 0.38 0.15 -0.51 -0.81 0.00 0.00 175.30 174.58 2dic s ASP 60 N -2.59 5.83 0.18 -2.12 1.01 -1.26 -3.21 116.67 114.51 2dic s ASP 60 Ca 0.19 -0.02 0.05 0.00 0.71 0.00 0.00 52.55 53.48 2dic s ASP 60 Cb -0.08 -2.07 -0.04 0.00 1.01 0.00 0.00 42.92 41.75 2dic s ASP 60 CO 0.09 -0.01 0.16 0.20 0.21 0.00 0.00 175.17 175.82 2dic s ASN 61 N 1.49 5.60 -0.52 0.27 0.01 -1.26 -5.03 114.94 115.50 2dic s ASN 61 Ca 0.07 -0.13 0.02 0.00 -0.71 0.00 0.00 52.86 52.11 2dic s ASN 61 Cb -0.15 -1.48 0.45 0.00 0.41 0.00 0.00 41.25 40.48 2dic s ASN 61 CO 0.07 0.04 1.67 0.29 -1.51 0.00 0.00 177.10 177.67 2dic n LYS 62 N -0.54 3.09 0.00 -0.60 4.76 -1.26 -4.68 118.16 118.94 2dic n LYS 62 Ca -0.08 -3.70 0.00 0.00 -2.87 0.00 0.00 58.31 51.66 2dic n LYS 62 Cb 0.55 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.46 2dic n LYS 62 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2dic n ASP 63 N -0.80 0.00 0.00 4.39 8.00 -1.26 -5.07 116.55 121.81 2dic n ASP 63 Ca 0.54 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.04 2dic n ASP 63 Cb 0.76 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.86 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 3.25 0.00 3.90 0.44 0.00 -1.26 -5.04 105.19 106.47 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 -0.45 0.00 0.00 0.00 173.32 172.87 2dic s SER 65 N 0.00 -0.01 -0.04 1.61 0.15 -1.26 -3.35 113.70 110.79 2dic s SER 65 Ca 0.00 -0.32 0.01 0.00 0.70 0.00 0.00 55.95 56.34 2dic s SER 65 Cb 0.00 0.25 0.02 0.00 -1.71 0.00 0.00 66.02 64.58 2dic s SER 65 CO 0.00 -0.49 -0.04 0.00 1.20 0.00 0.00 173.24 173.91 2dic s SER 67 N 0.97 6.79 -0.08 0.00 1.04 -1.20 -2.97 113.70 118.25 2dic s SER 67 Ca -0.10 0.94 -0.01 0.00 0.48 0.00 0.00 55.95 57.26 2dic s SER 67 Cb -0.14 -2.33 0.03 0.00 0.10 0.00 0.00 66.02 63.68 2dic s SER 67 CO -0.00 -0.02 -0.03 0.00 0.98 0.00 0.00 173.24 174.16 2dic s ALA 68 N 0.61 0.90 -0.01 5.32 0.00 -1.25 -0.55 121.76 126.78 2dic s ALA 68 Ca 0.29 -0.25 0.08 0.00 0.00 0.00 0.00 51.96 52.08 2dic s ALA 68 Cb -0.16 -0.75 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 2dic s ALA 68 CO 0.13 -0.38 -0.24 -1.83 0.00 0.00 0.00 175.76 173.44 2dic s GLU 69 N 1.74 1.88 0.04 0.00 -1.05 -0.21 -2.86 118.70 118.25 2dic s GLU 69 Ca 0.03 -0.88 0.00 0.00 -0.15 0.00 0.00 54.97 53.97 2dic s GLU 69 Cb -0.13 -1.85 -0.03 0.00 -0.44 0.00 0.00 34.13 31.68 2dic s GLU 69 CO -0.05 0.50 -0.04 1.52 0.95 0.00 0.00 175.26 178.14 2dic s TYR 70 N -0.60 0.49 -0.23 4.83 -0.85 -0.18 0.58 117.35 121.39 2dic s TYR 70 Ca 0.09 -0.75 -0.04 0.00 -0.52 0.00 0.00 57.07 55.85 2dic s TYR 70 Cb -0.09 -0.33 0.08 0.00 0.38 0.00 0.00 41.96 42.00 2dic s TYR 70 CO -0.00 -0.23 0.12 0.42 -1.52 0.00 0.00 175.55 174.34 2dic s ILE 71 N -2.51 -0.10 0.99 -3.49 1.01 -0.93 -1.80 121.20 114.37 2dic s ILE 71 Ca -0.04 -0.45 -0.12 0.00 0.00 0.00 0.00 60.65 60.03 2dic s ILE 71 Cb -0.02 -0.78 0.18 0.00 0.01 0.00 0.00 42.46 41.85 2dic s ILE 71 CO -0.04 -0.50 1.09 -2.16 0.00 0.00 0.00 174.94 173.33 2dic s PRO 72 N 2.13 0.49 -0.00 2.79 0.04 -1.26 -1.61 135.00 137.59 2dic s PRO 72 Ca 0.06 0.55 0.01 0.00 0.04 0.00 0.00 61.00 61.66 2dic s PRO 72 Cb -0.16 -1.74 -0.01 0.00 0.04 0.00 0.00 34.50 32.63 2dic s PRO 72 CO -0.23 -2.70 0.03 1.19 0.04 0.00 0.00 177.00 175.34 2dic n PHE 73 N -4.16 0.00 -3.84 0.56 3.01 -1.26 -1.34 117.46 110.44 2dic n PHE 73 Ca 0.05 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.39 2dic n PHE 73 Cb 0.57 -0.01 -0.11 0.00 -0.01 0.00 0.00 39.48 39.92 2dic n PHE 73 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2dic s ALA 74 N -1.45 -0.39 0.59 4.37 0.00 -1.26 -4.80 121.76 118.83 2dic s ALA 74 Ca 0.00 0.24 -0.17 0.00 0.00 0.00 0.00 51.96 52.03 2dic s ALA 74 Cb 0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 2dic s ALA 74 CO 0.04 -0.13 1.12 -1.25 0.00 0.00 0.00 175.76 175.54 2dic s PRO 75 N -0.48 3.12 0.00 0.00 0.04 -1.26 -4.77 135.00 131.64 2dic s PRO 75 Ca -0.06 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.49 2dic s PRO 75 Cb -0.04 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.52 2dic s PRO 75 CO 0.01 -1.02 0.00 0.41 0.04 0.00 0.00 177.00 176.44 2dic n GLY 76 N -0.15 -0.15 3.48 0.56 0.00 -0.31 -4.88 105.19 103.73 2dic n GLY 76 Ca 0.11 -1.49 -0.43 0.00 0.00 0.00 0.00 46.02 44.21 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 6.16 0.26 1.61 -4.77 -1.26 -0.80 116.67 113.87 2dic s ASP 77 Ca 0.00 -0.71 0.04 0.00 -3.30 0.00 0.00 52.55 48.58 2dic s ASP 77 Cb 0.00 -2.20 -0.03 0.00 -1.09 0.00 0.00 42.92 39.60 2dic s ASP 77 CO 0.00 -0.51 0.40 -0.31 0.70 0.00 0.00 175.17 175.45 2dic s TYR 78 N 1.96 3.44 -0.30 2.11 1.51 -1.11 -4.72 117.35 120.23 2dic s TYR 78 Ca 0.09 0.03 -0.01 0.00 -1.01 0.00 0.00 57.07 56.18 2dic s TYR 78 Cb -0.18 -1.65 0.10 0.00 -0.11 0.00 0.00 41.96 40.12 2dic s TYR 78 CO 0.12 0.36 0.09 -0.51 -1.11 0.00 0.00 175.55 174.50 2dic s ASP 79 N -4.00 4.00 -0.37 2.29 1.11 -0.22 -1.99 116.67 117.50 2dic s ASP 79 Ca 0.36 -1.60 -0.29 0.00 0.18 0.00 0.00 52.55 51.20 2dic s ASP 79 Cb -0.09 -0.88 -0.00 0.00 1.07 0.00 0.00 42.92 43.01 2dic s ASP 79 CO 0.30 -0.40 1.59 -0.69 1.18 0.00 0.00 175.17 177.15 2dic s VAL 80 N 1.60 3.71 -0.28 -1.27 1.01 -1.09 -2.70 120.40 121.38 2dic s VAL 80 Ca 0.09 0.72 -0.17 0.00 0.00 0.00 0.00 61.98 62.63 2dic s VAL 80 Cb -0.17 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 2dic s VAL 80 CO -0.23 -0.58 0.45 0.20 0.00 0.00 0.00 175.10 174.93 2dic s ASN 81 N 4.88 6.34 -0.10 3.32 0.01 0.12 -1.90 114.94 127.61 2dic s ASN 81 Ca 0.70 0.35 0.02 0.00 -0.71 0.00 0.00 52.86 53.22 2dic s ASN 81 Cb -0.18 -2.25 0.01 0.00 0.41 0.00 0.00 41.25 39.24 2dic s ASN 81 CO 0.33 -0.26 -0.16 -0.63 -1.51 0.00 0.00 177.10 174.86 2dic s ILE 82 N 2.21 1.55 0.03 0.60 1.01 -1.26 -0.59 121.20 124.74 2dic s ILE 82 Ca 0.18 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 60.16 2dic s ILE 82 Cb -0.16 -1.40 -0.02 0.00 0.01 0.00 0.00 42.46 40.90 2dic s ILE 82 CO 0.10 0.45 -0.08 0.42 0.00 0.00 0.00 174.94 175.83 2dic s THR 83 N 0.80 0.57 -0.30 2.92 -4.23 -0.47 -2.94 115.64 111.99 2dic s THR 83 Ca -0.10 -0.82 -0.01 0.00 -1.18 0.00 0.00 61.69 59.58 2dic s THR 83 Cb -0.16 -0.58 0.06 0.00 1.34 0.00 0.00 72.50 73.16 2dic s THR 83 CO 0.01 -0.19 -0.01 -0.47 -0.54 0.00 0.00 174.62 173.41 2dic s TYR 84 N -0.95 3.29 0.00 3.99 5.04 -0.38 -0.83 117.35 127.50 2dic s TYR 84 Ca -0.05 -2.02 0.00 0.00 -2.44 0.00 0.00 57.07 52.56 2dic s TYR 84 Cb -0.07 -2.13 0.00 0.00 0.35 0.00 0.00 41.96 40.10 2dic s TYR 84 CO 0.00 -0.83 0.00 0.41 -1.34 0.00 0.00 175.55 173.79 2dic n GLY 85 N 4.57 1.51 0.53 8.97 0.00 0.78 -2.87 105.19 118.67 2dic n GLY 85 Ca -0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 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 0.55 3.24 -0.02 0.00 -1.26 -4.78 105.19 102.92 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 1.33 -0.19 4.61 0.00 -1.14 -5.15 121.76 121.23 2dic s ALA 87 Ca 0.00 -1.65 -0.07 0.00 0.00 0.00 0.00 51.96 50.23 2dic s ALA 87 Cb 0.00 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.92 2dic s ALA 87 CO 0.00 -0.42 0.06 -1.01 0.00 0.00 0.00 175.76 174.39 2dic s HIS 88 N -3.82 3.23 0.57 0.00 0.09 -1.26 -1.25 115.29 112.85 2dic s HIS 88 Ca 0.29 0.03 -0.19 0.00 -0.00 0.00 0.00 55.06 55.20 2dic s HIS 88 Cb 0.07 -2.09 -0.05 0.00 -0.00 0.00 0.00 32.58 30.51 2dic s HIS 88 CO 0.07 0.11 1.14 0.96 -0.00 0.00 0.00 174.74 177.02 2dic s ILE 89 N 0.48 3.08 -0.80 0.60 -4.36 -1.15 -4.84 121.20 114.20 2dic s ILE 89 Ca 0.03 0.65 -0.25 0.00 -0.26 0.00 0.00 60.65 60.81 2dic s ILE 89 Cb -0.13 -3.24 -0.04 0.00 1.25 0.00 0.00 42.46 40.31 2dic s ILE 89 CO 0.01 -0.17 1.92 -2.16 0.24 0.00 0.00 174.94 174.78 2dic s PRO 90 N -3.40 2.58 0.00 0.37 0.04 -1.26 -2.66 135.00 130.67 2dic s PRO 90 Ca 0.73 0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.79 2dic s PRO 90 Cb -0.25 -4.83 0.00 0.00 0.04 0.00 0.00 34.50 29.46 2dic s PRO 90 CO 0.30 -3.16 0.00 0.41 0.04 0.00 0.00 177.00 174.59 2dic n GLY 91 N 6.46 0.25 3.65 0.56 0.00 -1.26 -4.98 105.19 109.87 2dic n GLY 91 Ca 0.33 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.08 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 4.76 0.62 1.61 0.15 -1.09 -3.79 113.70 115.96 2dic s SER 92 Ca 0.00 -0.36 -0.16 0.00 0.70 0.00 0.00 55.95 56.13 2dic s SER 92 Cb 0.00 -1.02 -0.02 0.00 -1.71 0.00 0.00 66.02 63.27 2dic s SER 92 CO 0.00 0.12 1.12 -2.16 1.20 0.00 0.00 173.24 173.51 2dic s PRO 93 N -2.72 2.98 -0.45 5.44 0.04 -1.26 -4.90 135.00 134.14 2dic s PRO 93 Ca 0.26 1.46 -0.13 0.00 0.04 0.00 0.00 61.00 62.64 2dic s PRO 93 Cb -0.10 -1.97 0.08 0.00 0.04 0.00 0.00 34.50 32.55 2dic s PRO 93 CO 0.18 -1.12 0.34 -0.06 0.04 0.00 0.00 177.00 176.38 2dic s PHE 94 N -2.15 3.29 0.15 0.56 0.40 -0.80 -4.82 117.98 114.61 2dic s PHE 94 Ca 0.69 -1.20 -0.31 0.00 -0.60 0.00 0.00 56.93 55.50 2dic s PHE 94 Cb -0.22 -3.10 -0.10 0.00 0.51 0.00 0.00 43.02 40.12 2dic s PHE 94 CO 0.37 -0.83 1.60 0.50 0.70 0.00 0.00 175.22 177.57 2dic s ARG 95 N 1.54 4.20 -0.09 0.44 3.00 -1.26 -2.67 118.95 124.12 2dic s ARG 95 Ca 0.04 2.38 -0.01 0.00 -1.00 0.00 0.00 55.73 57.14 2dic s ARG 95 Cb -0.24 -3.24 0.03 0.00 0.00 0.00 0.00 34.95 31.49 2dic s ARG 95 CO 0.04 -0.65 -0.04 0.08 0.00 0.00 0.00 175.30 174.74 2dic s VAL 96 N 1.47 0.67 -0.62 7.11 1.01 -0.84 -4.78 120.40 124.41 2dic s VAL 96 Ca 0.71 -0.07 -0.26 0.00 0.00 0.00 0.00 61.98 62.36 2dic s VAL 96 Cb -0.44 -0.76 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 2dic s VAL 96 CO 0.32 0.31 1.87 -2.16 0.00 0.00 0.00 175.10 175.43 2dic s PRO 97 N 1.80 2.62 -0.47 2.72 0.04 -1.26 -2.77 135.00 137.68 2dic s PRO 97 Ca 0.04 0.57 -0.25 0.00 0.04 0.00 0.00 61.00 61.40 2dic s PRO 97 Cb -0.12 -4.42 0.03 0.00 0.04 0.00 0.00 34.50 30.03 2dic s PRO 97 CO -0.06 -2.77 0.93 0.08 0.04 0.00 0.00 177.00 175.23 2dic s VAL 98 N 9.14 4.46 0.21 -0.36 1.01 0.02 -3.17 120.40 131.71 2dic s VAL 98 Ca 0.67 0.72 0.06 0.00 0.00 0.00 0.00 61.98 63.44 2dic s VAL 98 Cb -0.12 -4.45 -0.04 0.00 0.00 0.00 0.00 36.38 31.77 2dic s VAL 98 CO 0.20 -0.86 0.17 -0.54 0.00 0.00 0.00 175.10 174.06 2dic s LYS 99 N 3.79 2.92 -0.21 2.72 1.02 -1.13 -1.17 119.74 127.68 2dic s LYS 99 Ca 0.37 -0.97 -0.12 0.00 0.02 0.00 0.00 55.97 55.26 2dic s LYS 99 Cb -0.10 -2.60 -0.05 0.00 -0.52 0.00 0.00 37.83 34.56 2dic s LYS 99 CO 0.26 0.44 0.24 0.16 -0.92 0.00 0.00 175.35 175.53 2dic s ASP 100 N -3.52 6.26 0.29 2.83 1.47 -1.26 -1.20 116.67 121.55 2dic s ASP 100 Ca 0.32 0.30 0.04 0.00 1.18 0.00 0.00 52.55 54.39 2dic s ASP 100 Cb -0.09 -2.15 0.76 0.00 -0.34 0.00 0.00 42.92 41.10 2dic s ASP 100 CO 0.24 0.05 1.66 0.58 0.68 0.00 0.00 175.17 178.38 2dic h VAL 101 N 4.93 0.36 -3.92 2.11 2.07 -1.97 -3.38 116.25 116.44 2dic h VAL 101 Ca -0.38 -0.10 -0.69 0.00 0.82 0.00 0.00 66.70 66.35 2dic h VAL 101 Cb 1.16 0.06 -0.31 0.00 -1.52 0.00 0.00 31.29 30.68 2dic h VAL 101 CO 0.70 0.05 -0.88 0.68 0.02 0.00 0.00 177.57 178.14 2dic s VAL 102 N -5.89 2.08 0.46 2.57 -7.23 -1.26 -5.12 120.40 106.01 2dic s VAL 102 Ca -0.12 -1.05 -0.24 0.00 -1.81 0.00 0.00 61.98 58.76 2dic s VAL 102 Cb 0.26 -1.76 -0.07 0.00 0.56 0.00 0.00 36.38 35.37 2dic s VAL 102 CO 0.78 0.57 1.28 -1.81 -0.31 0.00 0.00 175.10 175.60 2dic s ASP 103 N -0.10 6.01 -0.56 4.85 1.11 -1.26 -4.91 116.67 121.81 2dic s ASP 103 Ca -0.05 2.58 -0.27 0.00 0.18 0.00 0.00 52.55 54.98 2dic s ASP 103 Cb -0.14 -2.63 -0.02 0.00 1.07 0.00 0.00 42.92 41.20 2dic s ASP 103 CO 0.04 -1.05 1.83 -2.16 1.18 0.00 0.00 175.17 175.02 2dic s PRO 104 N -2.54 2.78 0.00 8.23 0.04 -1.26 -5.19 135.00 137.06 2dic s PRO 104 Ca 0.62 0.76 0.00 0.00 0.04 0.00 0.00 61.00 62.42 2dic s PRO 104 Cb -0.36 -4.34 0.00 0.00 0.04 0.00 0.00 34.50 29.84 2dic s PRO 104 CO 0.44 -2.54 0.19 -1.13 0.04 0.00 0.00 177.00 174.00