#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 1.55 -3.80 1.61 2.88 -1.26 -5.11 113.62 109.48 2dic n SER 2 Ca 0.00 0.25 -0.09 0.00 -1.33 0.00 0.00 58.87 57.70 2dic n SER 2 Cb 0.00 -0.60 -0.04 0.00 -0.75 0.00 0.00 64.21 62.83 2dic n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dic s SER 3 N -5.79 -0.24 0.00 -3.46 1.04 -1.26 -5.15 113.70 98.85 2dic s SER 3 Ca -0.19 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.67 2dic s SER 3 Cb 0.03 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.76 2dic s SER 3 CO 0.28 -1.13 0.00 0.61 0.98 0.00 0.00 173.24 173.98 2dic n GLY 4 N -0.37 -0.24 2.84 7.32 0.00 -1.26 -5.10 105.19 108.37 2dic n GLY 4 Ca -0.07 -0.52 -0.17 0.00 0.00 0.00 0.00 46.02 45.26 2dic n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dic s SER 5 N -4.00 0.83 0.11 1.61 0.15 -1.26 -5.03 113.70 106.10 2dic s SER 5 Ca 0.00 0.27 -0.13 0.00 0.70 0.00 0.00 55.95 56.79 2dic s SER 5 Cb 0.00 0.32 -0.11 0.00 -1.71 0.00 0.00 66.02 64.51 2dic s SER 5 CO 0.00 -0.26 1.37 -1.28 1.20 0.00 0.00 173.24 174.27 2dic h SER 6 N 8.35 0.91 -1.66 5.45 0.87 -1.99 -3.49 113.55 121.99 2dic h SER 6 Ca -0.14 -0.56 0.00 0.00 -1.23 0.00 0.00 61.79 59.87 2dic h SER 6 Cb 1.12 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.82 2dic h SER 6 CO 0.16 1.30 0.00 0.61 -0.53 0.00 0.00 176.83 178.37 2dic n GLY 7 N 0.45 -1.02 0.00 5.77 0.00 -1.26 -5.06 105.19 104.07 2dic n GLY 7 Ca -0.05 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.11 -0.50 3.72 -0.02 0.00 -1.26 -5.01 105.19 102.00 2dic n GLY 8 Ca 0.00 -1.51 -0.35 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.62 2.95 0.00 0.00 -0.21 -0.70 -4.90 119.66 116.18 2dic s GLN 10 Ca 0.11 -2.56 0.15 0.00 0.02 0.00 0.00 55.36 53.08 2dic s GLN 10 Cb -0.12 -3.97 0.88 0.00 1.00 0.00 0.00 33.01 30.80 2dic s GLN 10 CO 0.02 -1.22 1.36 -0.35 -2.12 0.00 0.00 175.29 172.98 2dic n PRO 11 N 3.56 0.42 -0.04 2.91 -0.04 -1.26 -2.33 135.00 138.22 2dic n PRO 11 Ca 0.11 0.04 -0.09 0.00 -0.04 0.00 0.00 63.50 63.52 2dic n PRO 11 Cb 0.41 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.22 2dic n PRO 11 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dic n SER 12 N -1.07 0.65 0.02 3.54 3.41 -1.26 -3.95 113.62 114.97 2dic n SER 12 Ca 0.10 0.31 0.10 0.00 -0.26 0.00 0.00 58.87 59.13 2dic n SER 12 Cb 0.07 0.21 0.43 0.00 -0.26 0.00 0.00 64.21 64.66 2dic n SER 12 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2dic n ARG 13 N -2.97 0.05 -2.28 4.33 5.12 -0.98 -4.80 116.66 115.12 2dic n ARG 13 Ca -0.21 0.20 -0.37 0.00 -1.93 0.00 0.00 57.85 55.54 2dic n ARG 13 Cb 1.08 -1.57 -0.01 0.00 -1.16 0.00 0.00 32.46 30.79 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 -3.05 3.15 -0.00 1.55 1.01 -1.25 -4.41 120.40 117.40 2dic s VAL 14 Ca 0.09 0.86 0.00 0.00 0.00 0.00 0.00 61.98 62.93 2dic s VAL 14 Cb 0.12 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 33.08 2dic s VAL 14 CO 0.38 -0.02 -0.01 -1.10 0.00 0.00 0.00 175.10 174.35 2dic s GLN 15 N -2.73 0.14 -0.08 2.72 -0.21 -0.94 -4.83 119.66 113.73 2dic s GLN 15 Ca 0.64 -0.04 0.01 0.00 0.02 0.00 0.00 55.36 55.99 2dic s GLN 15 Cb -0.28 -0.17 0.02 0.00 1.00 0.00 0.00 33.01 33.58 2dic s GLN 15 CO 0.34 0.01 -0.08 0.00 -2.12 0.00 0.00 175.29 173.44 2dic s ALA 16 N 0.11 1.12 0.03 6.09 0.00 -1.26 -1.26 121.76 126.58 2dic s ALA 16 Ca -0.01 -0.38 -0.11 0.00 0.00 0.00 0.00 51.96 51.47 2dic s ALA 16 Cb -0.02 -0.71 0.01 0.00 0.00 0.00 0.00 23.12 22.40 2dic s ALA 16 CO -0.00 -0.19 0.23 1.14 0.00 0.00 0.00 175.76 176.93 2dic s GLN 17 N 1.29 0.69 0.00 0.00 -2.07 -0.63 -5.01 119.66 113.93 2dic s GLN 17 Ca -0.04 -0.51 0.00 0.00 -1.82 0.00 0.00 55.36 53.00 2dic s GLN 17 Cb -0.14 0.29 0.00 0.00 -1.09 0.00 0.00 33.01 32.07 2dic s GLN 17 CO -0.03 -0.20 0.00 0.41 -1.32 0.00 0.00 175.29 174.15 2dic n GLY 18 N 0.85 0.80 0.22 2.60 0.00 -1.26 0.36 105.19 108.75 2dic n GLY 18 Ca -0.20 -1.90 -0.13 0.00 0.00 0.00 0.00 46.02 43.79 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 6.19 0.72 0.00 1.61 0.13 -1.87 -2.45 132.00 136.34 2dic h PRO 19 Ca 0.00 -0.38 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 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 1.00 0.09 0.41 -0.23 0.00 0.00 178.00 179.27 2dic n GLY 20 N 0.16 -0.71 0.04 1.56 0.00 -0.19 0.23 105.19 106.28 2dic n GLY 20 Ca -0.04 0.14 -0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.03 0.00 -0.08 0.99 4.77 -1.12 -4.69 117.00 114.84 2dic n LEU 21 Ca -0.01 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.85 2dic n LEU 21 Cb 0.11 0.19 -0.06 0.00 -2.33 0.00 0.00 43.42 41.33 2dic n LEU 21 CO 0.07 0.19 -0.39 0.50 -1.33 0.00 0.00 177.39 176.42 2dic h LYS 22 N 0.00 0.00 -3.03 3.23 3.11 -0.54 -3.42 116.57 115.92 2dic h LYS 22 Ca -0.20 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 57.54 2dic h LYS 22 Cb 1.33 0.00 -0.18 0.00 -1.00 0.00 0.00 32.23 32.37 2dic h LYS 22 CO 0.01 0.43 -0.20 -2.00 -2.81 0.00 0.00 179.45 174.88 2dic s GLU 23 N -2.26 0.78 0.32 1.90 2.12 0.14 -4.34 118.70 117.36 2dic s GLU 23 Ca -0.20 -0.28 0.08 0.00 0.36 0.00 0.00 54.97 54.93 2dic s GLU 23 Cb 0.03 0.35 -0.03 0.00 0.26 0.00 0.00 34.13 34.74 2dic s GLU 23 CO 0.37 -0.24 0.27 0.00 -0.54 0.00 0.00 175.26 175.13 2dic n ALA 24 N 0.91 0.70 -2.30 6.30 0.00 -1.00 -3.95 120.51 121.17 2dic n ALA 24 Ca -0.20 -1.89 -0.10 0.00 0.00 0.00 0.00 53.44 51.26 2dic n ALA 24 Cb 0.58 1.53 -0.09 0.00 0.00 0.00 0.00 19.45 21.46 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 -3.31 0.75 -0.06 0.00 0.08 -1.26 -3.28 117.98 110.89 2dic s PHE 25 Ca 0.39 -1.12 -0.30 0.00 0.12 0.00 0.00 56.93 56.02 2dic s PHE 25 Cb 0.02 -0.37 -0.02 0.00 -0.57 0.00 0.00 43.02 42.07 2dic s PHE 25 CO 0.27 -0.57 1.03 0.95 -0.10 0.00 0.00 175.22 176.80 2dic s THR 26 N -4.03 4.71 -1.53 0.64 -4.23 -0.41 -3.38 115.64 107.42 2dic s THR 26 Ca 0.23 1.97 -0.02 0.00 -1.18 0.00 0.00 61.69 62.68 2dic s THR 26 Cb 0.06 -4.26 0.00 0.00 1.34 0.00 0.00 72.50 69.64 2dic s THR 26 CO 0.02 0.06 0.26 0.59 -0.54 0.00 0.00 174.62 175.00 2dic n ASN 27 N 4.65 -5.59 -4.27 3.99 5.03 -0.31 -4.71 115.26 114.05 2dic n ASN 27 Ca 0.08 -0.13 -0.27 0.00 0.87 0.00 0.00 54.58 55.13 2dic n ASN 27 Cb 0.49 -4.54 -0.14 0.00 -1.02 0.00 0.00 39.78 34.57 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 -5.25 1.52 -0.39 3.52 1.02 -1.22 -5.01 119.74 113.93 2dic s LYS 28 Ca 0.13 -0.95 -0.28 0.00 0.02 0.00 0.00 55.97 54.89 2dic s LYS 28 Cb -0.06 -1.63 -0.01 0.00 -0.52 0.00 0.00 37.83 35.61 2dic s LYS 28 CO 0.16 0.42 1.73 -1.25 -0.92 0.00 0.00 175.35 175.49 2dic s PRO 29 N -1.10 3.26 -0.24 -1.68 0.04 -1.26 -4.37 135.00 129.65 2dic s PRO 29 Ca 0.08 1.19 -0.02 0.00 0.04 0.00 0.00 61.00 62.29 2dic s PRO 29 Cb -0.09 -4.19 0.02 0.00 0.04 0.00 0.00 34.50 30.27 2dic s PRO 29 CO 0.01 -1.95 -0.05 -0.80 0.04 0.00 0.00 177.00 174.26 2dic s ASN 30 N 5.99 4.33 0.41 6.66 0.01 -0.57 -4.98 114.94 126.78 2dic s ASN 30 Ca 0.74 -0.77 0.05 0.00 -0.71 0.00 0.00 52.86 52.17 2dic s ASN 30 Cb -0.19 -1.69 -0.06 0.00 0.41 0.00 0.00 41.25 39.72 2dic s ASN 30 CO 0.31 -0.11 0.03 0.68 -1.51 0.00 0.00 177.10 176.50 2dic s VAL 31 N 1.36 1.55 0.03 1.60 -7.23 -1.26 -0.92 120.40 115.53 2dic s VAL 31 Ca 0.02 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 57.96 2dic s VAL 31 Cb -0.16 -2.76 0.05 0.00 0.56 0.00 0.00 36.38 34.07 2dic s VAL 31 CO -0.04 0.00 0.52 0.72 -0.31 0.00 0.00 175.10 175.99 2dic s PHE 32 N -2.92 -0.43 -0.21 2.82 -0.71 -1.19 -1.02 117.98 114.32 2dic s PHE 32 Ca 0.29 0.54 -0.19 0.00 -1.04 0.00 0.00 56.93 56.53 2dic s PHE 32 Cb 0.08 0.33 -0.03 0.00 -1.21 0.00 0.00 43.02 42.19 2dic s PHE 32 CO 0.15 -0.62 0.56 0.99 -1.34 0.00 0.00 175.22 174.96 2dic s THR 33 N -2.18 5.07 -0.25 -4.49 2.01 0.16 -4.08 115.64 111.87 2dic s THR 33 Ca -0.07 1.02 -0.00 0.00 0.31 0.00 0.00 61.69 62.95 2dic s THR 33 Cb -0.01 -3.88 0.04 0.00 0.01 0.00 0.00 72.50 68.66 2dic s THR 33 CO 0.00 0.14 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.31 2dic s VAL 34 N 1.82 2.65 -0.20 3.82 1.01 -1.14 -1.61 120.40 126.76 2dic s VAL 34 Ca 0.25 -1.20 -0.14 0.00 0.00 0.00 0.00 61.98 60.89 2dic s VAL 34 Cb -0.16 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 2dic s VAL 34 CO 0.10 0.14 0.33 -0.69 0.00 0.00 0.00 175.10 174.99 2dic s VAL 35 N 1.26 5.25 -0.19 2.92 1.01 -0.39 -1.81 120.40 128.45 2dic s VAL 35 Ca -0.02 0.58 0.19 0.00 0.00 0.00 0.00 61.98 62.73 2dic s VAL 35 Cb -0.17 -3.67 0.47 0.00 0.00 0.00 0.00 36.38 33.01 2dic s VAL 35 CO -0.05 0.30 1.16 0.35 0.00 0.00 0.00 175.10 176.85 2dic n THR 36 N 4.17 1.31 0.15 3.92 -2.24 -1.26 -2.21 114.28 118.12 2dic n THR 36 Ca -0.10 -2.72 0.03 0.00 -2.27 0.00 0.00 64.05 58.99 2dic n THR 36 Cb 0.51 0.54 0.15 0.00 -2.10 0.00 0.00 70.33 69.43 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 1.90 0.00 0.01 -0.78 0.11 -1.89 -3.29 114.38 110.44 2dic h ARG 37 Ca -0.04 0.00 -0.36 0.00 0.10 0.00 0.00 59.98 59.67 2dic h ARG 37 Cb 1.45 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.47 2dic h ARG 37 CO 0.25 0.48 -2.27 0.41 0.10 0.00 0.00 179.97 178.94 2dic n GLY 38 N 0.82 -0.77 0.23 0.08 0.00 -1.26 -4.46 105.19 99.83 2dic n GLY 38 Ca 0.01 -0.24 -0.06 0.00 0.00 0.00 0.00 46.02 45.73 2dic n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dic h ALA 39 N 0.61 0.07 0.00 4.61 0.00 -1.73 -3.45 119.26 119.37 2dic h ALA 39 Ca -0.51 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2dic h ALA 39 Cb 2.09 0.43 0.00 0.00 0.00 0.00 0.00 17.79 20.31 2dic h ALA 39 CO 0.01 -0.57 0.00 0.41 0.00 0.00 0.00 179.25 179.10 2dic n GLY 40 N -1.36 0.21 3.02 0.00 0.00 -1.24 -1.72 105.19 104.11 2dic n GLY 40 Ca 0.01 -1.48 -0.25 0.00 0.00 0.00 0.00 46.02 44.30 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 -0.51 1.18 0.00 -0.61 1.01 -1.26 -4.88 121.20 116.13 2dic s ILE 41 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 60.65 60.16 2dic s ILE 41 Cb 0.00 -1.08 0.00 0.00 0.01 0.00 0.00 42.46 41.39 2dic s ILE 41 CO 0.00 0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.92 2dic n GLY 42 N 3.89 1.02 3.30 6.18 0.00 -1.26 -4.84 105.19 113.48 2dic n GLY 42 Ca -0.22 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.10 1.83 -0.15 -0.02 0.00 -1.26 -4.90 107.32 101.73 2dic s GLY 43 Ca 0.00 -1.64 -0.24 0.00 0.00 0.00 0.00 44.72 42.83 2dic s GLY 43 CO 0.00 0.74 0.77 -2.27 0.00 0.00 0.00 173.10 172.34 2dic s LEU 44 N 1.45 4.21 -0.41 0.66 2.96 -1.26 -0.14 118.68 126.14 2dic s LEU 44 Ca 0.00 1.13 0.02 0.00 -0.22 0.00 0.00 54.13 55.06 2dic s LEU 44 Cb -0.19 -3.15 0.11 0.00 0.50 0.00 0.00 46.19 43.47 2dic s LEU 44 CO 0.03 -0.31 0.15 -0.83 -1.32 0.00 0.00 176.35 174.07 2dic s GLY 45 N 1.09 2.10 -0.19 7.98 0.00 -0.12 -5.00 107.32 113.18 2dic s GLY 45 Ca 0.37 -2.75 -0.11 0.00 0.00 0.00 0.00 44.72 42.23 2dic s GLY 45 CO 0.14 0.98 0.18 -0.42 0.00 0.00 0.00 173.10 173.98 2dic s ILE 46 N 0.62 5.38 0.05 0.90 1.01 -1.26 -2.66 121.20 125.23 2dic s ILE 46 Ca 0.12 0.30 -0.02 0.00 0.00 0.00 0.00 60.65 61.05 2dic s ILE 46 Cb -0.21 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 2dic s ILE 46 CO -0.05 0.42 0.00 0.42 0.00 0.00 0.00 174.94 175.74 2dic s THR 47 N 0.40 0.18 -0.05 2.92 -4.23 0.12 -5.00 115.64 109.97 2dic s THR 47 Ca 0.11 -1.49 0.06 0.00 -1.18 0.00 0.00 61.69 59.19 2dic s THR 47 Cb -0.12 -1.18 -0.01 0.00 1.34 0.00 0.00 72.50 72.54 2dic s THR 47 CO -0.00 -0.82 -0.24 -0.69 -0.54 0.00 0.00 174.62 172.33 2dic s VAL 48 N -3.26 1.95 -0.05 2.29 1.01 -1.26 0.04 120.40 121.12 2dic s VAL 48 Ca 0.01 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 61.02 2dic s VAL 48 Cb 0.03 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.76 2dic s VAL 48 CO -0.08 0.54 -0.15 -1.61 0.00 0.00 0.00 175.10 173.80 2dic s GLU 49 N -0.14 1.70 0.00 2.72 2.02 -1.07 -4.75 118.70 119.18 2dic s GLU 49 Ca -0.03 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.41 2dic s GLU 49 Cb -0.13 -1.47 0.00 0.00 0.10 0.00 0.00 34.13 32.63 2dic s GLU 49 CO 0.03 0.19 0.00 0.41 0.02 0.00 0.00 175.26 175.91 2dic n GLY 50 N 3.28 1.41 0.00 -1.39 0.00 -1.26 -0.66 105.19 106.58 2dic n GLY 50 Ca -0.19 -0.74 0.07 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.49 1.61 -0.04 -1.26 -4.75 135.00 127.38 2dic n PRO 51 Ca 0.00 0.09 -0.15 0.00 -0.04 0.00 0.00 63.50 63.40 2dic n PRO 51 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 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 -2.36 -0.60 -0.03 3.54 1.04 -1.26 -4.95 113.70 109.08 2dic s SER 52 Ca 0.18 0.41 -0.30 0.00 0.48 0.00 0.00 55.95 56.71 2dic s SER 52 Cb 0.10 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.74 2dic s SER 52 CO 0.21 -0.74 1.25 -0.70 0.98 0.00 0.00 173.24 174.24 2dic s GLU 53 N -2.20 4.34 0.02 4.02 2.12 -1.26 -4.76 118.70 120.97 2dic s GLU 53 Ca -0.06 1.75 -0.04 0.00 0.36 0.00 0.00 54.97 56.98 2dic s GLU 53 Cb -0.00 -3.55 -0.04 0.00 0.26 0.00 0.00 34.13 30.80 2dic s GLU 53 CO 0.01 -0.46 0.23 -1.12 -0.54 0.00 0.00 175.26 173.38 2dic s SER 54 N 1.54 6.43 -0.86 -1.70 0.01 -1.26 -4.38 113.70 113.48 2dic s SER 54 Ca 0.58 0.44 -0.25 0.00 1.31 0.00 0.00 55.95 58.03 2dic s SER 54 Cb -0.27 -2.04 0.04 0.00 0.21 0.00 0.00 66.02 63.96 2dic s SER 54 CO 0.24 0.23 1.38 -0.54 0.41 0.00 0.00 173.24 174.95 2dic s LYS 55 N -1.98 3.35 0.20 12.44 1.02 -0.33 -4.75 119.74 129.68 2dic s LYS 55 Ca 0.29 -0.61 -0.13 0.00 0.02 0.00 0.00 55.97 55.54 2dic s LYS 55 Cb -0.13 -4.72 -0.07 0.00 -0.52 0.00 0.00 37.83 32.39 2dic s LYS 55 CO 0.19 -2.21 0.58 0.42 -0.92 0.00 0.00 175.35 173.41 2dic s ILE 56 N 5.53 4.85 -0.22 2.17 1.01 -1.26 -2.25 121.20 131.03 2dic s ILE 56 Ca 0.41 0.73 -0.03 0.00 0.00 0.00 0.00 60.65 61.75 2dic s ILE 56 Cb -0.05 -3.68 0.12 0.00 0.01 0.00 0.00 42.46 38.86 2dic s ILE 56 CO 0.04 0.08 0.34 0.20 0.00 0.00 0.00 174.94 175.60 2dic s ASN 57 N -2.02 0.42 0.11 3.58 0.01 0.92 -4.97 114.94 113.00 2dic s ASN 57 Ca 0.43 0.24 -0.24 0.00 -0.71 0.00 0.00 52.86 52.57 2dic s ASN 57 Cb -0.13 0.97 -0.07 0.00 0.41 0.00 0.00 41.25 42.43 2dic s ASN 57 CO 0.20 -0.29 0.75 0.00 -1.51 0.00 0.00 177.10 176.24 2dic s ARG 59 N -0.77 1.34 -0.15 0.00 0.52 -0.28 -5.02 118.95 114.59 2dic s ARG 59 Ca 0.36 -0.52 -0.17 0.00 -0.52 0.00 0.00 55.73 54.88 2dic s ARG 59 Cb -0.22 -1.24 -0.04 0.00 0.52 0.00 0.00 34.95 33.97 2dic s ARG 59 CO 0.24 0.26 0.45 -0.51 0.02 0.00 0.00 175.30 175.76 2dic s ASP 60 N -0.14 6.60 -0.21 0.23 1.01 -1.26 -2.56 116.67 120.35 2dic s ASP 60 Ca 0.01 0.72 -0.07 0.00 0.71 0.00 0.00 52.55 53.92 2dic s ASP 60 Cb -0.08 -2.27 -0.03 0.00 1.01 0.00 0.00 42.92 41.55 2dic s ASP 60 CO 0.00 -0.02 0.05 0.20 0.21 0.00 0.00 175.17 175.61 2dic s ASN 61 N 0.73 5.28 -0.21 0.27 0.01 -1.25 -4.99 114.94 114.78 2dic s ASN 61 Ca 0.24 -0.08 -0.04 0.00 -0.71 0.00 0.00 52.86 52.26 2dic s ASN 61 Cb -0.15 -1.92 -0.07 0.00 0.41 0.00 0.00 41.25 39.52 2dic s ASN 61 CO 0.09 0.08 3.01 0.29 -1.51 0.00 0.00 177.10 179.05 2dic n LYS 62 N 4.18 2.06 0.08 -0.60 4.76 -1.26 -3.98 118.16 123.39 2dic n LYS 62 Ca -0.16 -1.50 0.00 0.00 -2.87 0.00 0.00 58.31 53.78 2dic n LYS 62 Cb 0.52 -1.94 0.00 0.00 -1.84 0.00 0.00 35.03 31.77 2dic n LYS 62 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2dic n ASP 63 N 1.58 0.21 0.00 4.39 2.03 -1.26 -5.07 116.55 118.43 2dic n ASP 63 Ca 0.40 0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.97 2dic n ASP 63 Cb 0.71 0.09 0.00 0.00 -0.72 0.00 0.00 41.12 41.20 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 2.21 0.00 2.38 0.27 0.00 -1.26 -5.18 105.19 103.62 2dic n GLY 64 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.17 -4.14 1.61 3.41 -1.26 -4.56 113.62 107.51 2dic n SER 65 Ca 0.00 -1.68 -0.21 0.00 -0.26 0.00 0.00 58.87 56.72 2dic n SER 65 Cb 0.00 1.92 -0.14 0.00 -0.26 0.00 0.00 64.21 65.74 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 -0.96 3.22 -0.04 0.00 0.15 -1.06 -2.86 113.70 112.15 2dic s SER 67 Ca 0.03 -0.44 -0.01 0.00 0.70 0.00 0.00 55.95 56.22 2dic s SER 67 Cb -0.07 -0.60 0.03 0.00 -1.71 0.00 0.00 66.02 63.67 2dic s SER 67 CO 0.01 0.30 0.07 0.00 1.20 0.00 0.00 173.24 174.81 2dic s ALA 68 N -0.46 0.08 -0.06 5.45 0.00 -1.26 -1.13 121.76 124.38 2dic s ALA 68 Ca 0.05 0.33 0.06 0.00 0.00 0.00 0.00 51.96 52.40 2dic s ALA 68 Cb -0.11 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 2dic s ALA 68 CO 0.01 -0.30 -0.24 -1.83 0.00 0.00 0.00 175.76 173.40 2dic s GLU 69 N 1.61 2.50 0.07 0.00 -1.05 -0.85 -3.18 118.70 117.80 2dic s GLU 69 Ca -0.03 -0.87 0.02 0.00 -0.15 0.00 0.00 54.97 53.94 2dic s GLU 69 Cb -0.12 -2.11 -0.03 0.00 -0.44 0.00 0.00 34.13 31.43 2dic s GLU 69 CO -0.04 0.36 -0.07 1.52 0.95 0.00 0.00 175.26 177.98 2dic s TYR 70 N -0.12 0.77 -0.21 4.83 -0.85 -0.10 -0.05 117.35 121.61 2dic s TYR 70 Ca -0.04 -0.67 -0.04 0.00 -0.52 0.00 0.00 57.07 55.80 2dic s TYR 70 Cb -0.14 -0.45 0.08 0.00 0.38 0.00 0.00 41.96 41.83 2dic s TYR 70 CO 0.04 -0.11 0.16 0.42 -1.52 0.00 0.00 175.55 174.54 2dic s ILE 71 N -2.27 -0.19 1.00 -3.49 1.01 -0.95 -1.51 121.20 114.78 2dic s ILE 71 Ca -0.01 -0.27 -0.12 0.00 0.00 0.00 0.00 60.65 60.24 2dic s ILE 71 Cb -0.04 -0.71 0.19 0.00 0.01 0.00 0.00 42.46 41.91 2dic s ILE 71 CO -0.02 -0.35 1.09 -2.16 0.00 0.00 0.00 174.94 173.51 2dic s PRO 72 N 2.21 0.45 0.00 2.79 0.04 -1.26 -1.19 135.00 138.04 2dic s PRO 72 Ca 0.05 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.62 2dic s PRO 72 Cb -0.16 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2dic s PRO 72 CO -0.17 -2.72 0.00 1.19 0.04 0.00 0.00 177.00 175.34 2dic n PHE 73 N -4.17 0.00 -3.88 0.56 3.01 -1.26 -1.16 117.46 110.56 2dic n PHE 73 Ca 0.05 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.40 2dic n PHE 73 Cb 0.57 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.93 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 -1.21 -0.21 0.57 4.37 0.00 -1.26 -4.84 121.76 119.19 2dic s ALA 74 Ca 0.00 -0.04 -0.18 0.00 0.00 0.00 0.00 51.96 51.73 2dic s ALA 74 Cb 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 2dic s ALA 74 CO 0.00 -0.13 1.12 -1.25 0.00 0.00 0.00 175.76 175.50 2dic s PRO 75 N -0.79 3.20 0.00 0.00 0.04 -1.26 -4.80 135.00 131.39 2dic s PRO 75 Ca -0.09 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.51 2dic s PRO 75 Cb -0.05 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2dic s PRO 75 CO 0.00 -0.96 0.00 0.41 0.04 0.00 0.00 177.00 176.50 2dic n GLY 76 N -0.02 -0.15 3.47 0.56 0.00 -0.82 -4.87 105.19 103.35 2dic n GLY 76 Ca 0.11 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 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 6.12 0.25 1.61 1.47 -1.26 -1.42 116.67 119.45 2dic s ASP 77 Ca 0.00 -0.83 0.01 0.00 1.18 0.00 0.00 52.55 52.91 2dic s ASP 77 Cb 0.00 -2.17 -0.04 0.00 -0.34 0.00 0.00 42.92 40.37 2dic s ASP 77 CO 0.00 -0.46 0.43 -0.31 0.68 0.00 0.00 175.17 175.51 2dic s TYR 78 N 1.76 3.48 -0.28 2.11 1.51 -1.15 -4.72 117.35 120.07 2dic s TYR 78 Ca 0.06 0.26 0.00 0.00 -1.01 0.00 0.00 57.07 56.39 2dic s TYR 78 Cb -0.19 -1.80 0.08 0.00 -0.11 0.00 0.00 41.96 39.94 2dic s TYR 78 CO 0.11 0.31 0.04 -0.51 -1.11 0.00 0.00 175.55 174.39 2dic s ASP 79 N -3.61 3.95 -0.33 2.29 1.11 0.17 -2.33 116.67 117.92 2dic s ASP 79 Ca 0.38 -1.47 -0.29 0.00 0.18 0.00 0.00 52.55 51.35 2dic s ASP 79 Cb -0.10 -1.05 0.00 0.00 1.07 0.00 0.00 42.92 42.84 2dic s ASP 79 CO 0.31 -0.34 1.30 -0.69 1.18 0.00 0.00 175.17 176.93 2dic s VAL 80 N 1.46 4.12 -0.27 -1.27 1.01 -1.08 -2.60 120.40 121.77 2dic s VAL 80 Ca 0.04 1.24 -0.16 0.00 0.00 0.00 0.00 61.98 63.10 2dic s VAL 80 Cb -0.18 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 31.97 2dic s VAL 80 CO -0.14 -0.55 0.44 0.20 0.00 0.00 0.00 175.10 175.05 2dic s ASN 81 N 2.91 6.33 -0.17 3.32 0.01 0.11 -1.93 114.94 125.52 2dic s ASN 81 Ca 0.56 0.38 0.00 0.00 -0.71 0.00 0.00 52.86 53.10 2dic s ASN 81 Cb -0.16 -2.24 0.03 0.00 0.41 0.00 0.00 41.25 39.30 2dic s ASN 81 CO 0.25 -0.24 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.87 2dic s ILE 82 N 2.18 1.45 0.01 0.60 1.01 -1.26 -0.70 121.20 124.48 2dic s ILE 82 Ca 0.18 -0.75 0.06 0.00 0.00 0.00 0.00 60.65 60.14 2dic s ILE 82 Cb -0.16 -1.49 -0.02 0.00 0.01 0.00 0.00 42.46 40.81 2dic s ILE 82 CO 0.10 0.26 -0.17 0.42 0.00 0.00 0.00 174.94 175.55 2dic s THR 83 N 1.50 1.38 -0.41 2.92 -4.23 -1.09 -2.74 115.64 112.97 2dic s THR 83 Ca 0.02 -0.87 -0.06 0.00 -1.18 0.00 0.00 61.69 59.60 2dic s THR 83 Cb -0.15 -1.17 0.10 0.00 1.34 0.00 0.00 72.50 72.62 2dic s THR 83 CO -0.09 0.29 0.23 -0.47 -0.54 0.00 0.00 174.62 174.03 2dic s TYR 84 N -0.55 3.46 0.00 3.99 5.04 -0.37 -0.94 117.35 127.98 2dic s TYR 84 Ca 0.06 -2.04 0.00 0.00 -2.44 0.00 0.00 57.07 52.65 2dic s TYR 84 Cb -0.07 -3.11 0.00 0.00 0.35 0.00 0.00 41.96 39.13 2dic s TYR 84 CO 0.00 -0.93 0.00 0.41 -1.34 0.00 0.00 175.55 173.69 2dic n GLY 85 N 4.74 2.07 0.53 8.97 0.00 0.80 -3.24 105.19 119.06 2dic n GLY 85 Ca -0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 46.02 45.91 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 0.74 3.18 -0.02 0.00 -1.26 -4.85 105.19 102.98 2dic n GLY 86 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 1.03 -0.18 4.61 0.00 -1.20 -5.15 121.76 120.87 2dic s ALA 87 Ca 0.00 -1.40 -0.11 0.00 0.00 0.00 0.00 51.96 50.44 2dic s ALA 87 Cb 0.00 0.29 -0.05 0.00 0.00 0.00 0.00 23.12 23.36 2dic s ALA 87 CO 0.00 -0.27 0.19 -1.01 0.00 0.00 0.00 175.76 174.67 2dic s HIS 88 N -3.67 3.44 0.56 0.00 0.09 -1.26 -1.24 115.29 113.21 2dic s HIS 88 Ca 0.15 0.44 -0.18 0.00 -0.00 0.00 0.00 55.06 55.47 2dic s HIS 88 Cb 0.06 -2.22 -0.05 0.00 -0.00 0.00 0.00 32.58 30.37 2dic s HIS 88 CO -0.03 0.29 1.11 0.96 -0.00 0.00 0.00 174.74 177.07 2dic s ILE 89 N 0.34 3.28 -0.83 0.60 -4.36 -1.11 -4.89 121.20 114.22 2dic s ILE 89 Ca 0.12 0.74 -0.25 0.00 -0.26 0.00 0.00 60.65 61.00 2dic s ILE 89 Cb -0.12 -3.27 -0.04 0.00 1.25 0.00 0.00 42.46 40.28 2dic s ILE 89 CO 0.01 -0.22 1.93 -2.16 0.24 0.00 0.00 174.94 174.73 2dic s PRO 90 N -3.49 2.57 0.00 0.37 0.04 -1.25 -2.62 135.00 130.63 2dic s PRO 90 Ca 0.71 -0.08 0.00 0.00 0.04 0.00 0.00 61.00 61.66 2dic s PRO 90 Cb -0.22 -4.91 0.00 0.00 0.04 0.00 0.00 34.50 29.41 2dic s PRO 90 CO 0.30 -3.23 0.00 0.41 0.04 0.00 0.00 177.00 174.52 2dic n GLY 91 N 6.59 0.39 3.82 0.56 0.00 -1.26 -5.01 105.19 110.28 2dic n GLY 91 Ca 0.36 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.10 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 5.70 0.51 1.61 0.15 -1.08 -3.71 113.70 116.89 2dic s SER 92 Ca 0.00 -0.02 -0.21 0.00 0.70 0.00 0.00 55.95 56.43 2dic s SER 92 Cb 0.00 -1.56 -0.06 0.00 -1.71 0.00 0.00 66.02 62.68 2dic s SER 92 CO 0.00 0.11 1.14 -2.16 1.20 0.00 0.00 173.24 173.53 2dic s PRO 93 N -2.85 3.50 -0.44 5.44 0.04 -1.26 -4.89 135.00 134.54 2dic s PRO 93 Ca 0.31 1.67 -0.17 0.00 0.04 0.00 0.00 61.00 62.85 2dic s PRO 93 Cb -0.11 -2.15 0.03 0.00 0.04 0.00 0.00 34.50 32.31 2dic s PRO 93 CO 0.24 -0.74 0.47 -0.06 0.04 0.00 0.00 177.00 176.95 2dic s PHE 94 N -1.69 3.16 0.08 0.56 0.40 -0.81 -4.80 117.98 114.87 2dic s PHE 94 Ca 0.69 -0.46 -0.31 0.00 -0.60 0.00 0.00 56.93 56.26 2dic s PHE 94 Cb -0.26 -3.04 -0.07 0.00 0.51 0.00 0.00 43.02 40.16 2dic s PHE 94 CO 0.30 -0.77 1.45 0.50 0.70 0.00 0.00 175.22 177.40 2dic s ARG 95 N 2.18 4.28 -0.07 0.44 3.00 -1.26 -2.63 118.95 124.88 2dic s ARG 95 Ca 0.12 2.11 -0.01 0.00 -1.00 0.00 0.00 55.73 56.95 2dic s ARG 95 Cb -0.18 -3.40 0.03 0.00 0.00 0.00 0.00 34.95 31.40 2dic s ARG 95 CO 0.13 -0.54 -0.03 0.08 0.00 0.00 0.00 175.30 174.94 2dic s VAL 96 N 1.76 0.55 -0.14 7.11 1.01 -0.98 -4.81 120.40 124.90 2dic s VAL 96 Ca 0.66 -0.02 -0.29 0.00 0.00 0.00 0.00 61.98 62.33 2dic s VAL 96 Cb -0.36 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 2dic s VAL 96 CO 0.30 0.28 1.55 -2.16 0.00 0.00 0.00 175.10 175.06 2dic s PRO 97 N 1.68 4.05 -0.43 2.72 0.04 -1.26 -2.93 135.00 138.88 2dic s PRO 97 Ca 0.01 1.88 -0.13 0.00 0.04 0.00 0.00 61.00 62.80 2dic s PRO 97 Cb -0.13 -3.96 0.05 0.00 0.04 0.00 0.00 34.50 30.51 2dic s PRO 97 CO -0.05 -0.98 0.30 0.08 0.04 0.00 0.00 177.00 176.40 2dic s VAL 98 N 4.34 4.87 0.37 -0.36 1.01 -0.51 -2.38 120.40 127.74 2dic s VAL 98 Ca 0.68 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 61.72 2dic s VAL 98 Cb -0.28 -3.84 -0.00 0.00 0.00 0.00 0.00 36.38 32.26 2dic s VAL 98 CO 0.26 -0.43 0.52 -0.54 0.00 0.00 0.00 175.10 174.91 2dic s LYS 99 N 1.58 3.01 -0.20 2.72 1.02 -1.21 -1.95 119.74 124.72 2dic s LYS 99 Ca 0.03 -1.03 -0.08 0.00 0.02 0.00 0.00 55.97 54.92 2dic s LYS 99 Cb -0.22 -2.77 -0.04 0.00 -0.52 0.00 0.00 37.83 34.28 2dic s LYS 99 CO 0.06 -0.08 0.07 -0.51 -0.92 0.00 0.00 175.35 173.97 2dic s ASP 100 N -4.24 5.57 -0.14 2.83 1.11 -1.26 -1.29 116.67 119.25 2dic s ASP 100 Ca 0.49 0.03 -0.22 0.00 0.18 0.00 0.00 52.55 53.03 2dic s ASP 100 Cb -0.10 -1.96 -0.25 0.00 1.07 0.00 0.00 42.92 41.68 2dic s ASP 100 CO 0.32 0.13 0.53 0.58 1.18 0.00 0.00 175.17 177.91 2dic h VAL 101 N 5.01 1.23 -2.61 -1.27 2.07 -1.98 -3.49 116.25 115.22 2dic h VAL 101 Ca -0.37 -2.33 -0.09 0.00 0.82 0.00 0.00 66.70 64.73 2dic h VAL 101 Cb 1.17 2.78 -0.20 0.00 -1.52 0.00 0.00 31.29 33.52 2dic h VAL 101 CO 0.67 0.56 -0.09 0.68 0.02 0.00 0.00 177.57 179.41 2dic s VAL 102 N -2.37 0.03 -0.01 2.57 -7.23 -1.26 -5.17 120.40 106.96 2dic s VAL 102 Ca -0.22 -0.24 0.02 0.00 -1.81 0.00 0.00 61.98 59.72 2dic s VAL 102 Cb 0.03 -0.76 0.00 0.00 0.56 0.00 0.00 36.38 36.21 2dic s VAL 102 CO 0.70 -0.13 -0.05 -0.62 -0.31 0.00 0.00 175.10 174.68 2dic s ASP 103 N -1.06 0.73 0.62 4.85 -1.08 -1.26 -5.10 116.67 114.36 2dic s ASP 103 Ca -0.11 -0.11 -0.16 0.00 -0.52 0.00 0.00 52.55 51.65 2dic s ASP 103 Cb -0.03 -0.15 -0.02 0.00 -1.46 0.00 0.00 42.92 41.26 2dic s ASP 103 CO 0.06 0.04 1.12 -2.16 0.52 0.00 0.00 175.17 174.75 2dic s PRO 104 N 0.11 3.00 0.00 4.34 0.04 -1.26 -5.30 135.00 135.92 2dic s PRO 104 Ca -0.01 1.46 0.14 0.00 0.04 0.00 0.00 61.00 62.64 2dic s PRO 104 Cb -0.05 -1.97 0.11 0.00 0.04 0.00 0.00 34.50 32.63 2dic s PRO 104 CO -0.00 -1.11 0.96 0.45 0.04 0.00 0.00 177.00 177.34