#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 6.40 -1.79 1.61 0.01 -1.26 -4.47 113.70 114.21 2dic s SER 2 Ca 0.00 -1.65 -0.19 0.00 1.31 0.00 0.00 55.95 55.42 2dic s SER 2 Cb 0.00 -2.37 0.18 0.00 0.21 0.00 0.00 66.02 64.05 2dic s SER 2 CO 0.00 -1.15 0.57 -1.54 0.41 0.00 0.00 173.24 171.53 2dic n SER 3 N 6.63 -1.82 -2.29 2.44 3.41 -1.26 -4.75 113.62 115.99 2dic n SER 3 Ca 0.07 -1.19 -0.17 0.00 -0.26 0.00 0.00 58.87 57.32 2dic n SER 3 Cb 0.46 -1.93 -0.14 0.00 -0.26 0.00 0.00 64.21 62.34 2dic n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dic n GLY 4 N -1.35 3.20 3.32 5.00 0.00 -1.26 -4.81 105.19 109.29 2dic n GLY 4 Ca 0.04 -1.23 -0.46 0.00 0.00 0.00 0.00 46.02 44.37 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 2.08 6.35 0.21 1.61 0.15 -1.26 -4.94 113.70 117.90 2dic s SER 5 Ca 0.66 -2.02 -0.09 0.00 0.70 0.00 0.00 55.95 55.20 2dic s SER 5 Cb 0.28 -2.22 0.30 0.00 -1.71 0.00 0.00 66.02 62.68 2dic s SER 5 CO -0.01 -0.80 1.24 -1.20 1.20 0.00 0.00 173.24 173.67 2dic n SER 6 N 4.99 -0.37 0.00 5.45 7.64 -1.26 -4.89 113.62 125.18 2dic n SER 6 Ca -0.06 1.38 0.00 0.00 1.01 0.00 0.00 58.87 61.21 2dic n SER 6 Cb 0.42 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 2dic n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dic n GLY 7 N -1.46 -0.25 0.83 0.23 0.00 -1.26 -4.99 105.19 98.29 2dic n GLY 7 Ca 0.11 0.10 -0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 -0.04 3.46 -0.02 0.00 -1.26 -5.06 105.19 102.27 2dic n GLY 8 Ca 0.00 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.67 0.88 0.00 0.00 -0.21 -0.92 -4.96 119.66 110.78 2dic s GLN 10 Ca 0.59 -1.57 0.15 0.00 0.02 0.00 0.00 55.36 54.55 2dic s GLN 10 Cb -0.23 -1.83 0.89 0.00 1.00 0.00 0.00 33.01 32.84 2dic s GLN 10 CO 0.65 -1.16 1.36 -0.35 -2.12 0.00 0.00 175.29 173.67 2dic n PRO 11 N 3.95 0.42 -0.05 2.91 -0.04 -1.26 -2.31 135.00 138.62 2dic n PRO 11 Ca 0.08 0.04 -0.08 0.00 -0.04 0.00 0.00 63.50 63.50 2dic n PRO 11 Cb 0.36 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.18 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 0.53 0.02 3.54 3.41 -1.26 -3.86 113.62 114.93 2dic n SER 12 Ca 0.10 0.25 0.10 0.00 -0.26 0.00 0.00 58.87 59.06 2dic n SER 12 Cb 0.07 0.39 0.41 0.00 -0.26 0.00 0.00 64.21 64.82 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 -2.91 0.04 -2.61 4.33 5.12 -0.98 -4.77 116.66 114.89 2dic n ARG 13 Ca -0.22 0.22 -0.38 0.00 -1.93 0.00 0.00 57.85 55.54 2dic n ARG 13 Cb 1.06 -1.57 -0.05 0.00 -1.16 0.00 0.00 32.46 30.74 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 3.82 -0.00 1.55 1.01 -1.25 -4.38 120.40 118.10 2dic s VAL 14 Ca 0.08 1.57 0.01 0.00 0.00 0.00 0.00 61.98 63.65 2dic s VAL 14 Cb 0.12 -3.90 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 2dic s VAL 14 CO 0.36 0.18 -0.05 -1.10 0.00 0.00 0.00 175.10 174.49 2dic s GLN 15 N -1.99 0.38 -0.14 2.72 -0.21 -0.85 -4.72 119.66 114.84 2dic s GLN 15 Ca 0.51 -0.21 0.02 0.00 0.02 0.00 0.00 55.36 55.70 2dic s GLN 15 Cb -0.24 -0.35 0.01 0.00 1.00 0.00 0.00 33.01 33.43 2dic s GLN 15 CO 0.30 0.09 -0.21 0.00 -2.12 0.00 0.00 175.29 173.36 2dic s ALA 16 N -0.20 2.30 0.30 6.09 0.00 -1.26 -1.01 121.76 127.97 2dic s ALA 16 Ca 0.01 -1.08 0.04 0.00 0.00 0.00 0.00 51.96 50.93 2dic s ALA 16 Cb -0.02 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.03 2dic s ALA 16 CO -0.00 -0.02 0.26 1.14 0.00 0.00 0.00 175.76 177.14 2dic s GLN 17 N 0.80 1.62 0.00 0.00 -2.07 0.56 -4.99 119.66 115.57 2dic s GLN 17 Ca -0.07 -1.88 0.00 0.00 -1.82 0.00 0.00 55.36 51.59 2dic s GLN 17 Cb -0.16 0.32 0.00 0.00 -1.09 0.00 0.00 33.01 32.09 2dic s GLN 17 CO -0.01 -0.59 0.00 0.41 -1.32 0.00 0.00 175.29 173.77 2dic n GLY 18 N -0.52 1.15 0.14 2.60 0.00 -1.26 0.44 105.19 107.74 2dic n GLY 18 Ca 0.05 -2.18 -0.13 0.00 0.00 0.00 0.00 46.02 43.77 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 0.00 0.39 -0.66 1.61 0.13 -1.91 -2.93 132.00 128.63 2dic h PRO 19 Ca 0.00 -0.20 0.19 0.00 -0.87 0.00 0.00 66.00 65.12 2dic h PRO 19 Cb 0.00 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 31.11 2dic h PRO 19 CO 0.00 0.76 1.10 0.78 -0.23 0.00 0.00 178.00 180.42 2dic h GLY 20 N 0.03 0.00 0.00 1.56 0.00 -0.40 1.84 103.07 106.09 2dic h GLY 20 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.19 2dic h GLY 20 CO 0.04 0.00 -1.97 1.04 0.00 0.00 0.00 176.54 175.65 2dic n LEU 21 N -3.02 0.00 -0.04 3.11 4.77 -1.18 -4.59 117.00 116.06 2dic n LEU 21 Ca 0.15 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.01 2dic n LEU 21 Cb 1.31 0.22 -0.10 0.00 -2.33 0.00 0.00 43.42 42.51 2dic n LEU 21 CO 0.16 0.22 0.41 0.11 -1.33 0.00 0.00 177.39 176.96 2dic h LYS 22 N 0.00 -0.03 -1.66 3.23 1.79 0.29 -3.42 116.57 116.75 2dic h LYS 22 Ca -0.24 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.28 2dic h LYS 22 Cb 1.45 0.01 -0.25 0.00 -1.58 0.00 0.00 32.23 31.86 2dic h LYS 22 CO 0.01 0.68 0.39 -1.83 -1.08 0.00 0.00 179.45 177.62 2dic s GLU 23 N -2.81 0.55 0.42 3.15 1.03 0.55 -4.67 118.70 116.93 2dic s GLU 23 Ca -0.16 0.68 0.05 0.00 0.03 0.00 0.00 54.97 55.57 2dic s GLU 23 Cb -0.01 0.25 -0.02 0.00 -0.80 0.00 0.00 34.13 33.55 2dic s GLU 23 CO 0.59 -0.07 0.17 0.00 -1.33 0.00 0.00 175.26 174.62 2dic s ALA 24 N 0.39 2.92 0.27 -0.84 0.00 -1.12 -4.39 121.76 118.99 2dic s ALA 24 Ca 0.01 -1.23 0.02 0.00 0.00 0.00 0.00 51.96 50.77 2dic s ALA 24 Cb -0.05 0.86 -0.03 0.00 0.00 0.00 0.00 23.12 23.90 2dic s ALA 24 CO -0.06 -0.39 0.24 -0.06 0.00 0.00 0.00 175.76 175.49 2dic s PHE 25 N -3.19 1.38 0.08 0.00 0.40 -1.26 -2.50 117.98 112.88 2dic s PHE 25 Ca 0.24 -1.47 -0.28 0.00 -0.60 0.00 0.00 56.93 54.82 2dic s PHE 25 Cb 0.01 -0.55 -0.05 0.00 0.51 0.00 0.00 43.02 42.93 2dic s PHE 25 CO 0.17 -0.80 0.89 0.95 0.70 0.00 0.00 175.22 177.13 2dic s THR 26 N -3.75 4.61 -1.74 0.64 -4.23 0.99 -3.52 115.64 108.65 2dic s THR 26 Ca 0.38 1.91 0.00 0.00 -1.18 0.00 0.00 61.69 62.80 2dic s THR 26 Cb 0.04 -4.25 0.00 0.00 1.34 0.00 0.00 72.50 69.63 2dic s THR 26 CO 0.19 0.32 0.00 0.59 -0.54 0.00 0.00 174.62 175.18 2dic n ASN 27 N 2.89 -5.20 -4.40 3.99 3.02 -0.60 -4.68 115.26 110.28 2dic n ASN 27 Ca 0.01 0.20 -0.31 0.00 -0.03 0.00 0.00 54.58 54.45 2dic n ASN 27 Cb 0.50 -4.46 -0.14 0.00 -0.61 0.00 0.00 39.78 35.07 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 -4.48 2.01 -0.18 3.52 1.02 -1.23 -5.01 119.74 115.39 2dic s LYS 28 Ca 0.00 -1.00 -0.29 0.00 0.02 0.00 0.00 55.97 54.70 2dic s LYS 28 Cb 0.00 -2.11 -0.03 0.00 -0.52 0.00 0.00 37.83 35.17 2dic s LYS 28 CO 0.00 0.54 1.58 -1.25 -0.92 0.00 0.00 175.35 175.30 2dic s PRO 29 N -1.23 3.93 -0.19 -1.68 0.04 -1.26 -4.46 135.00 130.15 2dic s PRO 29 Ca 0.13 1.77 0.01 0.00 0.04 0.00 0.00 61.00 62.95 2dic s PRO 29 Cb -0.10 -3.99 0.04 0.00 0.04 0.00 0.00 34.50 30.48 2dic s PRO 29 CO 0.03 -1.13 -0.13 -0.80 0.04 0.00 0.00 177.00 175.01 2dic s ASN 30 N 3.78 3.25 0.39 6.66 0.01 -0.73 -4.99 114.94 123.32 2dic s ASN 30 Ca 0.70 -0.79 0.07 0.00 -0.71 0.00 0.00 52.86 52.13 2dic s ASN 30 Cb -0.26 -1.27 -0.08 0.00 0.41 0.00 0.00 41.25 40.05 2dic s ASN 30 CO 0.28 -0.11 0.00 0.68 -1.51 0.00 0.00 177.10 176.44 2dic s VAL 31 N 1.39 1.92 -0.09 1.60 -7.23 -1.26 -0.52 120.40 116.20 2dic s VAL 31 Ca 0.01 -2.02 -0.28 0.00 -1.81 0.00 0.00 61.98 57.87 2dic s VAL 31 Cb -0.15 -2.93 0.07 0.00 0.56 0.00 0.00 36.38 33.93 2dic s VAL 31 CO -0.09 -0.03 0.65 0.72 -0.31 0.00 0.00 175.10 176.04 2dic s PHE 32 N -2.78 -0.64 -0.02 2.82 -0.71 -1.15 0.25 117.98 115.76 2dic s PHE 32 Ca 0.35 1.21 -0.22 0.00 -1.04 0.00 0.00 56.93 57.23 2dic s PHE 32 Cb 0.09 0.35 -0.05 0.00 -1.21 0.00 0.00 43.02 42.20 2dic s PHE 32 CO 0.17 -0.53 0.64 0.99 -1.34 0.00 0.00 175.22 175.15 2dic s THR 33 N -0.86 4.93 -0.47 -4.49 2.01 0.17 -3.56 115.64 113.37 2dic s THR 33 Ca -0.09 1.33 0.03 0.00 0.31 0.00 0.00 61.69 63.28 2dic s THR 33 Cb -0.02 -3.98 0.13 0.00 0.01 0.00 0.00 72.50 68.64 2dic s THR 33 CO 0.07 0.37 0.22 -0.69 -0.69 0.00 0.00 174.62 173.90 2dic s VAL 34 N 0.10 2.19 -0.21 3.82 1.01 -0.02 -0.32 120.40 126.96 2dic s VAL 34 Ca 0.33 -2.93 -0.29 0.00 0.00 0.00 0.00 61.98 59.10 2dic s VAL 34 Cb -0.18 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 2dic s VAL 34 CO 0.18 -0.79 1.79 -0.69 0.00 0.00 0.00 175.10 175.58 2dic s VAL 35 N 0.10 3.47 -0.24 2.92 1.01 -0.18 -0.14 120.40 127.34 2dic s VAL 35 Ca 0.16 0.52 0.15 0.00 0.00 0.00 0.00 61.98 62.80 2dic s VAL 35 Cb -0.24 -3.50 0.47 0.00 0.00 0.00 0.00 36.38 33.10 2dic s VAL 35 CO -0.02 -0.24 1.16 0.35 0.00 0.00 0.00 175.10 176.36 2dic n THR 36 N 6.71 1.82 0.16 3.92 -2.24 -1.24 -2.00 114.28 121.40 2dic n THR 36 Ca 0.21 -3.35 0.12 0.00 -2.27 0.00 0.00 64.05 58.76 2dic n THR 36 Cb 0.45 0.01 0.08 0.00 -2.10 0.00 0.00 70.33 68.76 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 2.07 0.00 0.02 -0.78 0.11 -1.88 -3.36 114.38 110.56 2dic h ARG 37 Ca 0.09 0.00 -0.37 0.00 0.10 0.00 0.00 59.98 59.80 2dic h ARG 37 Cb 1.42 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.43 2dic h ARG 37 CO 0.41 0.00 -2.34 0.41 0.10 0.00 0.00 179.97 178.55 2dic n GLY 38 N 1.14 -0.60 0.41 0.08 0.00 -1.26 -4.53 105.19 100.43 2dic n GLY 38 Ca 0.02 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 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 0.35 -0.63 0.00 4.61 0.00 -1.73 -3.45 119.26 118.41 2dic h ALA 39 Ca -0.53 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2dic h ALA 39 Cb 2.02 0.82 0.00 0.00 0.00 0.00 0.00 17.79 20.63 2dic h ALA 39 CO -0.02 -0.95 0.00 0.41 0.00 0.00 0.00 179.25 178.69 2dic n GLY 40 N -1.44 0.29 3.25 0.00 0.00 -1.26 -2.16 105.19 103.88 2dic n GLY 40 Ca -0.04 -1.40 -0.32 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.94 2.30 0.00 -0.61 -1.09 -1.26 -4.91 121.20 114.68 2dic s ILE 41 Ca 0.00 -0.93 0.00 0.00 -2.23 0.00 0.00 60.65 57.49 2dic s ILE 41 Cb 0.00 -1.90 0.00 0.00 -1.58 0.00 0.00 42.46 38.98 2dic s ILE 41 CO 0.00 0.55 0.00 0.61 -1.23 0.00 0.00 174.94 174.87 2dic n GLY 42 N 3.56 1.44 3.63 6.18 0.00 -1.26 -4.77 105.19 113.97 2dic n GLY 42 Ca -0.19 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 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 1.14 0.04 -0.02 0.00 -1.26 -4.57 107.32 102.65 2dic s GLY 43 Ca 0.00 0.78 -0.23 0.00 0.00 0.00 0.00 44.72 45.27 2dic s GLY 43 CO 0.00 3.30 0.68 -2.27 0.00 0.00 0.00 173.10 174.80 2dic s LEU 44 N 5.61 4.46 -0.30 0.66 2.96 -1.26 -0.10 118.68 130.70 2dic s LEU 44 Ca 0.82 1.33 0.02 0.00 -0.22 0.00 0.00 54.13 56.08 2dic s LEU 44 Cb -0.32 -3.08 0.09 0.00 0.50 0.00 0.00 46.19 43.39 2dic s LEU 44 CO 0.33 0.10 0.03 -0.83 -1.32 0.00 0.00 176.35 174.66 2dic s GLY 45 N -0.34 1.54 -0.20 7.98 0.00 -0.01 -4.97 107.32 111.32 2dic s GLY 45 Ca 0.34 -1.98 -0.05 0.00 0.00 0.00 0.00 44.72 43.03 2dic s GLY 45 CO 0.21 1.09 0.00 -0.42 0.00 0.00 0.00 173.10 173.98 2dic s ILE 46 N 1.22 4.04 0.06 0.90 1.01 -1.26 -1.85 121.20 125.31 2dic s ILE 46 Ca 0.05 -0.29 -0.05 0.00 0.00 0.00 0.00 60.65 60.37 2dic s ILE 46 Cb -0.19 -2.82 -0.02 0.00 0.01 0.00 0.00 42.46 39.44 2dic s ILE 46 CO -0.12 0.43 0.08 0.42 0.00 0.00 0.00 174.94 175.75 2dic s THR 47 N 0.90 0.17 -0.04 2.92 -4.23 0.15 -5.00 115.64 110.51 2dic s THR 47 Ca 0.01 -1.42 0.05 0.00 -1.18 0.00 0.00 61.69 59.16 2dic s THR 47 Cb -0.14 -1.31 -0.01 0.00 1.34 0.00 0.00 72.50 72.39 2dic s THR 47 CO 0.02 -0.78 -0.18 -0.69 -0.54 0.00 0.00 174.62 172.44 2dic s VAL 48 N -3.59 1.52 -0.06 2.29 1.01 -1.26 0.49 120.40 120.80 2dic s VAL 48 Ca 0.03 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.29 2dic s VAL 48 Cb 0.05 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 2dic s VAL 48 CO -0.09 0.43 -0.23 -1.61 0.00 0.00 0.00 175.10 173.61 2dic s GLU 49 N -0.08 2.38 0.00 2.72 2.02 -1.03 -4.73 118.70 119.98 2dic s GLU 49 Ca -0.02 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.16 2dic s GLU 49 Cb -0.11 -2.00 0.00 0.00 0.10 0.00 0.00 34.13 32.12 2dic s GLU 49 CO 0.02 0.32 0.00 0.41 0.02 0.00 0.00 175.26 176.03 2dic n GLY 50 N 3.06 1.67 0.00 -1.39 0.00 -1.26 -0.77 105.19 106.49 2dic n GLY 50 Ca -0.18 -0.81 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 0.22 -3.59 1.61 -0.04 -1.26 -4.75 135.00 127.19 2dic n PRO 51 Ca 0.00 0.14 -0.13 0.00 -0.04 0.00 0.00 63.50 63.47 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 -2.54 -0.39 -0.06 3.54 1.04 -1.26 -4.96 113.70 109.07 2dic s SER 52 Ca 0.14 0.04 -0.30 0.00 0.48 0.00 0.00 55.95 56.32 2dic s SER 52 Cb 0.10 0.49 -0.03 0.00 0.10 0.00 0.00 66.02 66.67 2dic s SER 52 CO 0.22 -0.76 1.26 -0.70 0.98 0.00 0.00 173.24 174.25 2dic s GLU 53 N -2.81 4.31 -0.06 4.02 2.12 -1.26 -4.77 118.70 120.25 2dic s GLU 53 Ca -0.03 1.75 -0.04 0.00 0.36 0.00 0.00 54.97 57.00 2dic s GLU 53 Cb -0.00 -3.60 -0.04 0.00 0.26 0.00 0.00 34.13 30.75 2dic s GLU 53 CO -0.05 -0.52 0.13 -1.12 -0.54 0.00 0.00 175.26 173.16 2dic s SER 54 N 1.68 6.14 -0.73 -1.70 0.01 -1.26 -4.38 113.70 113.46 2dic s SER 54 Ca 0.58 0.34 -0.27 0.00 1.31 0.00 0.00 55.95 57.91 2dic s SER 54 Cb -0.26 -1.91 0.03 0.00 0.21 0.00 0.00 66.02 64.10 2dic s SER 54 CO 0.22 0.34 1.25 -0.54 0.41 0.00 0.00 173.24 174.91 2dic s LYS 55 N -1.43 3.19 0.14 12.44 1.02 -0.73 -4.77 119.74 129.60 2dic s LYS 55 Ca 0.20 -0.29 -0.11 0.00 0.02 0.00 0.00 55.97 55.79 2dic s LYS 55 Cb -0.12 -4.18 -0.07 0.00 -0.52 0.00 0.00 37.83 32.94 2dic s LYS 55 CO 0.10 -2.11 0.49 0.42 -0.92 0.00 0.00 175.35 173.33 2dic s ILE 56 N 5.57 4.96 -0.21 2.17 1.01 -1.26 -2.26 121.20 131.18 2dic s ILE 56 Ca 0.34 0.59 -0.04 0.00 0.00 0.00 0.00 60.65 61.54 2dic s ILE 56 Cb -0.09 -3.68 0.11 0.00 0.01 0.00 0.00 42.46 38.81 2dic s ILE 56 CO 0.15 0.18 0.34 0.20 0.00 0.00 0.00 174.94 175.81 2dic s ASN 57 N -1.90 0.41 0.39 3.58 0.01 0.13 -4.97 114.94 112.59 2dic s ASN 57 Ca 0.38 0.30 -0.10 0.00 -0.71 0.00 0.00 52.86 52.74 2dic s ASN 57 Cb -0.14 0.95 -0.06 0.00 0.41 0.00 0.00 41.25 42.41 2dic s ASN 57 CO 0.19 -0.29 0.75 0.00 -1.51 0.00 0.00 177.10 176.25 2dic s ARG 59 N -3.83 0.79 -0.31 0.00 1.81 0.61 -4.97 118.95 113.05 2dic s ARG 59 Ca 0.50 -1.04 -0.13 0.00 -1.72 0.00 0.00 55.73 53.34 2dic s ARG 59 Cb -0.10 -0.57 -0.03 0.00 -0.45 0.00 0.00 34.95 33.80 2dic s ARG 59 CO 0.31 0.10 0.28 -0.51 -0.68 0.00 0.00 175.30 174.80 2dic s ASP 60 N -2.12 6.11 -0.24 0.23 1.01 -1.26 -3.52 116.67 116.88 2dic s ASP 60 Ca 0.01 -0.13 -0.09 0.00 0.71 0.00 0.00 52.55 53.05 2dic s ASP 60 Cb -0.06 -2.16 -0.04 0.00 1.01 0.00 0.00 42.92 41.67 2dic s ASP 60 CO 0.01 -0.20 0.12 0.20 0.21 0.00 0.00 175.17 175.51 2dic s ASN 61 N 1.72 5.74 -0.27 0.27 0.01 -1.26 -4.98 114.94 116.17 2dic s ASN 61 Ca 0.09 -0.00 -0.00 0.00 -0.71 0.00 0.00 52.86 52.24 2dic s ASN 61 Cb -0.16 -2.03 0.23 0.00 0.41 0.00 0.00 41.25 39.69 2dic s ASN 61 CO 0.11 0.04 1.85 0.29 -1.51 0.00 0.00 177.10 177.88 2dic n LYS 62 N 4.46 1.71 0.04 -0.60 4.76 -1.26 -4.14 118.16 123.13 2dic n LYS 62 Ca -0.15 -1.45 -0.00 0.00 -2.87 0.00 0.00 58.31 53.83 2dic n LYS 62 Cb 0.52 -1.57 -0.00 0.00 -1.84 0.00 0.00 35.03 32.14 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 0.23 1.02 0.00 4.39 8.00 -1.26 -5.06 116.55 123.87 2dic n ASP 63 Ca 0.28 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.91 2dic n ASP 63 Cb 0.70 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 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 3.35 0.00 2.06 0.44 0.00 -1.26 -5.11 105.19 104.67 2dic n GLY 64 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 2dic n GLY 64 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dic n SER 65 N 0.00 -1.15 -4.04 1.61 7.64 -1.26 -3.49 113.62 112.93 2dic n SER 65 Ca 0.00 -1.94 -0.21 0.00 1.01 0.00 0.00 58.87 57.72 2dic n SER 65 Cb 0.00 1.96 -0.15 0.00 -1.01 0.00 0.00 64.21 65.01 2dic n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2dic s SER 67 N 0.05 4.35 -0.05 0.00 0.01 -1.23 -0.84 113.70 115.98 2dic s SER 67 Ca -0.01 -0.18 -0.02 0.00 1.31 0.00 0.00 55.95 57.05 2dic s SER 67 Cb -0.08 -1.37 0.03 0.00 0.21 0.00 0.00 66.02 64.82 2dic s SER 67 CO 0.01 0.26 0.08 0.00 0.41 0.00 0.00 173.24 174.00 2dic s ALA 68 N -0.19 0.06 0.07 1.44 0.00 -1.23 -0.28 121.76 121.62 2dic s ALA 68 Ca 0.01 0.34 0.06 0.00 0.00 0.00 0.00 51.96 52.38 2dic s ALA 68 Cb -0.13 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 2dic s ALA 68 CO 0.03 -0.39 -0.10 -1.83 0.00 0.00 0.00 175.76 173.47 2dic s GLU 69 N 1.85 2.25 0.03 0.00 -1.05 -0.29 -2.95 118.70 118.54 2dic s GLU 69 Ca -0.00 -0.93 -0.05 0.00 -0.15 0.00 0.00 54.97 53.84 2dic s GLU 69 Cb -0.12 -2.35 -0.01 0.00 -0.44 0.00 0.00 34.13 31.21 2dic s GLU 69 CO -0.04 0.54 0.08 1.52 0.95 0.00 0.00 175.26 178.31 2dic s TYR 70 N -1.11 0.20 -0.24 4.83 -0.85 0.32 0.21 117.35 120.72 2dic s TYR 70 Ca 0.19 -0.49 -0.03 0.00 -0.52 0.00 0.00 57.07 56.22 2dic s TYR 70 Cb -0.11 -0.15 0.10 0.00 0.38 0.00 0.00 41.96 42.18 2dic s TYR 70 CO 0.11 -0.34 0.19 0.42 -1.52 0.00 0.00 175.55 174.40 2dic s ILE 71 N -2.42 -0.23 1.06 -3.49 1.01 -0.96 -1.77 121.20 114.40 2dic s ILE 71 Ca -0.07 -0.38 -0.14 0.00 0.00 0.00 0.00 60.65 60.07 2dic s ILE 71 Cb -0.02 -0.80 0.22 0.00 0.01 0.00 0.00 42.46 41.86 2dic s ILE 71 CO -0.04 -0.42 1.10 -2.16 0.00 0.00 0.00 174.94 173.42 2dic s PRO 72 N 2.24 -0.05 0.00 2.79 0.04 -1.26 -1.78 135.00 136.97 2dic s PRO 72 Ca 0.07 0.35 0.00 0.00 0.04 0.00 0.00 61.00 61.46 2dic s PRO 72 Cb -0.15 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.69 2dic s PRO 72 CO -0.23 -3.02 0.00 1.19 0.04 0.00 0.00 177.00 174.99 2dic n PHE 73 N -4.35 0.00 -3.88 0.56 3.01 -1.26 -1.55 117.46 109.99 2dic n PHE 73 Ca 0.07 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.41 2dic n PHE 73 Cb 0.58 0.00 -0.12 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 -1.20 -0.12 0.25 4.37 0.00 -1.26 -4.81 121.76 119.00 2dic s ALA 74 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 51.96 51.63 2dic s ALA 74 Cb 0.00 -0.02 -0.09 0.00 0.00 0.00 0.00 23.12 23.01 2dic s ALA 74 CO 0.00 -0.08 1.27 -1.25 0.00 0.00 0.00 175.76 175.70 2dic s PRO 75 N -0.49 4.43 0.00 0.00 0.04 -1.26 -4.82 135.00 132.89 2dic s PRO 75 Ca -0.06 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2dic s PRO 75 Cb -0.04 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.35 2dic s PRO 75 CO 0.00 -0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.30 2dic n GLY 76 N 1.71 -1.35 3.71 0.56 0.00 -0.17 -4.96 105.19 104.68 2dic n GLY 76 Ca 0.03 -1.19 -0.38 0.00 0.00 0.00 0.00 46.02 44.48 2dic n GLY 76 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dic s ASP 77 N -4.00 6.60 0.21 1.61 1.11 -1.26 -1.14 116.67 119.80 2dic s ASP 77 Ca 0.00 0.71 0.10 0.00 0.18 0.00 0.00 52.55 53.55 2dic s ASP 77 Cb 0.00 -2.27 -0.04 0.00 1.07 0.00 0.00 42.92 41.68 2dic s ASP 77 CO 0.00 -0.02 -0.15 -0.31 1.18 0.00 0.00 175.17 175.86 2dic s TYR 78 N 0.85 2.47 -0.31 4.23 1.51 -1.15 -4.53 117.35 120.42 2dic s TYR 78 Ca 0.24 -0.28 0.02 0.00 -1.01 0.00 0.00 57.07 56.03 2dic s TYR 78 Cb -0.15 -1.18 0.09 0.00 -0.11 0.00 0.00 41.96 40.61 2dic s TYR 78 CO 0.09 0.55 0.03 -0.51 -1.11 0.00 0.00 175.55 174.60 2dic s ASP 79 N -2.98 4.46 -0.50 2.29 1.11 0.05 -2.18 116.67 118.91 2dic s ASP 79 Ca 0.25 -1.84 -0.28 0.00 0.18 0.00 0.00 52.55 50.86 2dic s ASP 79 Cb -0.08 -1.40 0.01 0.00 1.07 0.00 0.00 42.92 42.52 2dic s ASP 79 CO 0.14 -0.35 1.48 -0.69 1.18 0.00 0.00 175.17 176.93 2dic s VAL 80 N 1.14 3.76 -0.25 -1.27 1.01 -1.05 -2.47 120.40 121.27 2dic s VAL 80 Ca 0.06 0.69 -0.21 0.00 0.00 0.00 0.00 61.98 62.53 2dic s VAL 80 Cb -0.19 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 31.91 2dic s VAL 80 CO -0.11 -0.97 0.64 0.20 0.00 0.00 0.00 175.10 174.86 2dic s ASN 81 N 4.70 6.60 -0.18 3.32 0.01 0.18 -1.74 114.94 127.83 2dic s ASN 81 Ca 0.58 0.73 -0.00 0.00 -0.71 0.00 0.00 52.86 53.46 2dic s ASN 81 Cb -0.13 -2.34 0.05 0.00 0.41 0.00 0.00 41.25 39.24 2dic s ASN 81 CO 0.28 -0.37 -0.05 -0.63 -1.51 0.00 0.00 177.10 174.81 2dic s ILE 82 N 2.49 1.21 0.11 0.60 1.01 -1.26 -0.68 121.20 124.69 2dic s ILE 82 Ca 0.27 -0.78 0.09 0.00 0.00 0.00 0.00 60.65 60.23 2dic s ILE 82 Cb -0.15 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 2dic s ILE 82 CO 0.08 0.07 -0.23 0.42 0.00 0.00 0.00 174.94 175.29 2dic s THR 83 N 1.57 1.87 -0.30 2.92 -4.23 -0.77 -2.37 115.64 114.33 2dic s THR 83 Ca -0.01 -1.59 0.01 0.00 -1.18 0.00 0.00 61.69 58.93 2dic s THR 83 Cb -0.16 -1.68 0.07 0.00 1.34 0.00 0.00 72.50 72.07 2dic s THR 83 CO -0.08 -0.00 -0.02 -0.47 -0.54 0.00 0.00 174.62 173.51 2dic s TYR 84 N -1.11 3.37 0.00 3.99 5.04 0.33 -0.83 117.35 128.14 2dic s TYR 84 Ca 0.09 -2.28 0.00 0.00 -2.44 0.00 0.00 57.07 52.44 2dic s TYR 84 Cb -0.10 -2.24 0.00 0.00 0.35 0.00 0.00 41.96 39.97 2dic s TYR 84 CO 0.05 -0.87 0.00 0.41 -1.34 0.00 0.00 175.55 173.79 2dic n GLY 85 N 4.48 1.42 0.54 8.97 0.00 0.85 -2.80 105.19 118.65 2dic n GLY 85 Ca -0.10 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 45.89 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 0.61 3.00 -0.02 0.00 -1.26 -4.83 105.19 102.70 2dic n GLY 86 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 0.22 -0.09 4.61 0.00 -1.12 -5.14 121.76 120.23 2dic s ALA 87 Ca 0.00 -0.65 -0.21 0.00 0.00 0.00 0.00 51.96 51.09 2dic s ALA 87 Cb 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.22 2dic s ALA 87 CO 0.00 -0.15 0.61 -1.01 0.00 0.00 0.00 175.76 175.21 2dic s HIS 88 N -1.58 3.54 0.59 0.00 0.09 -1.26 -0.51 115.29 116.16 2dic s HIS 88 Ca -0.14 1.09 -0.18 0.00 -0.00 0.00 0.00 55.06 55.83 2dic s HIS 88 Cb -0.09 -2.70 -0.03 0.00 -0.00 0.00 0.00 32.58 29.75 2dic s HIS 88 CO -0.01 0.11 1.15 0.96 -0.00 0.00 0.00 174.74 176.95 2dic s ILE 89 N 0.77 2.96 -0.94 0.60 -4.36 -1.00 -4.89 121.20 114.34 2dic s ILE 89 Ca 0.32 0.56 -0.24 0.00 -0.26 0.00 0.00 60.65 61.03 2dic s ILE 89 Cb -0.17 -3.18 -0.05 0.00 1.25 0.00 0.00 42.46 40.31 2dic s ILE 89 CO 0.15 -0.17 1.94 -2.16 0.24 0.00 0.00 174.94 174.94 2dic s PRO 90 N -3.49 2.55 0.00 0.37 0.04 -1.25 -2.60 135.00 130.61 2dic s PRO 90 Ca 0.73 -0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.35 2dic s PRO 90 Cb -0.25 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 29.20 2dic s PRO 90 CO 0.33 -3.46 0.00 0.41 0.04 0.00 0.00 177.00 174.31 2dic n GLY 91 N 6.70 0.21 3.81 0.56 0.00 -1.26 -4.96 105.19 110.26 2dic n GLY 91 Ca 0.41 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.15 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 5.65 0.43 1.61 0.15 -1.07 -3.62 113.70 116.85 2dic s SER 92 Ca 0.00 -0.04 -0.24 0.00 0.70 0.00 0.00 55.95 56.37 2dic s SER 92 Cb 0.00 -1.53 -0.08 0.00 -1.71 0.00 0.00 66.02 62.70 2dic s SER 92 CO 0.00 0.11 1.18 -2.16 1.20 0.00 0.00 173.24 173.56 2dic s PRO 93 N -2.85 3.88 -0.49 5.44 0.04 -1.26 -4.88 135.00 134.87 2dic s PRO 93 Ca 0.31 1.82 -0.19 0.00 0.04 0.00 0.00 61.00 62.99 2dic s PRO 93 Cb -0.11 -2.53 0.06 0.00 0.04 0.00 0.00 34.50 31.96 2dic s PRO 93 CO 0.24 -0.46 0.58 -0.06 0.04 0.00 0.00 177.00 177.33 2dic s PHE 94 N -1.48 3.09 0.10 0.56 0.40 -0.71 -4.76 117.98 115.18 2dic s PHE 94 Ca 0.61 -0.55 -0.31 0.00 -0.60 0.00 0.00 56.93 56.08 2dic s PHE 94 Cb -0.30 -3.43 -0.09 0.00 0.51 0.00 0.00 43.02 39.72 2dic s PHE 94 CO 0.37 -0.97 1.60 0.50 0.70 0.00 0.00 175.22 177.42 2dic s ARG 95 N 2.47 4.22 -0.09 0.44 3.00 -1.26 -2.53 118.95 125.19 2dic s ARG 95 Ca 0.14 2.30 -0.01 0.00 -1.00 0.00 0.00 55.73 57.16 2dic s ARG 95 Cb -0.19 -3.44 0.03 0.00 0.00 0.00 0.00 34.95 31.34 2dic s ARG 95 CO 0.12 -0.67 -0.04 0.08 0.00 0.00 0.00 175.30 174.79 2dic s VAL 96 N 2.07 0.69 -0.39 7.11 1.01 -0.93 -4.89 120.40 125.07 2dic s VAL 96 Ca 0.72 -0.08 -0.28 0.00 0.00 0.00 0.00 61.98 62.33 2dic s VAL 96 Cb -0.40 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.19 2dic s VAL 96 CO 0.31 0.31 1.73 -2.16 0.00 0.00 0.00 175.10 175.29 2dic s PRO 97 N 1.80 3.27 -0.56 2.72 0.04 -1.26 -2.93 135.00 138.08 2dic s PRO 97 Ca 0.04 1.19 -0.19 0.00 0.04 0.00 0.00 61.00 62.09 2dic s PRO 97 Cb -0.12 -4.19 0.08 0.00 0.04 0.00 0.00 34.50 30.31 2dic s PRO 97 CO -0.06 -1.93 0.69 0.08 0.04 0.00 0.00 177.00 175.81 2dic s VAL 98 N 6.92 4.82 0.48 -0.36 1.01 -0.29 -2.79 120.40 130.18 2dic s VAL 98 Ca 0.74 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 2dic s VAL 98 Cb -0.19 -4.43 -0.02 0.00 0.00 0.00 0.00 36.38 31.75 2dic s VAL 98 CO 0.31 -1.02 0.75 -0.54 0.00 0.00 0.00 175.10 174.60 2dic s LYS 99 N 2.73 3.26 -0.18 2.72 1.02 -1.04 -1.00 119.74 127.25 2dic s LYS 99 Ca 0.13 -0.11 -0.06 0.00 0.02 0.00 0.00 55.97 55.95 2dic s LYS 99 Cb -0.22 -2.44 -0.04 0.00 -0.52 0.00 0.00 37.83 34.61 2dic s LYS 99 CO 0.09 -0.29 0.04 0.16 -0.92 0.00 0.00 175.35 174.42 2dic s ASP 100 N -4.17 5.41 0.27 2.83 1.47 -1.26 -0.00 116.67 121.22 2dic s ASP 100 Ca 0.48 0.03 -0.04 0.00 1.18 0.00 0.00 52.55 54.20 2dic s ASP 100 Cb -0.10 -1.92 0.56 0.00 -0.34 0.00 0.00 42.92 41.13 2dic s ASP 100 CO 0.42 0.17 1.60 0.58 0.68 0.00 0.00 175.17 178.62 2dic h VAL 101 N 4.94 0.19 -3.15 2.11 2.07 -1.97 -3.42 116.25 117.00 2dic h VAL 101 Ca -0.35 -0.02 -0.09 0.00 0.82 0.00 0.00 66.70 67.05 2dic h VAL 101 Cb 1.17 0.12 -0.18 0.00 -1.52 0.00 0.00 31.29 30.89 2dic h VAL 101 CO 0.68 0.01 -0.21 0.54 0.02 0.00 0.00 177.57 178.61 2dic s VAL 102 N -6.09 0.07 -0.10 2.57 0.11 -1.26 -5.16 120.40 110.54 2dic s VAL 102 Ca -0.13 -0.57 -0.05 0.00 -2.93 0.00 0.00 61.98 58.30 2dic s VAL 102 Cb 0.25 -0.87 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 2dic s VAL 102 CO 0.77 -0.31 0.08 -1.81 -3.33 0.00 0.00 175.10 170.49 2dic s ASP 103 N -1.87 5.89 0.10 3.54 1.01 -1.26 -5.08 116.67 119.00 2dic s ASP 103 Ca -0.07 0.33 -0.31 0.00 0.71 0.00 0.00 52.55 53.21 2dic s ASP 103 Cb -0.02 -1.81 -0.07 0.00 1.01 0.00 0.00 42.92 42.03 2dic s ASP 103 CO -0.01 0.40 1.37 -2.16 0.21 0.00 0.00 175.17 174.97 2dic s PRO 104 N -0.97 4.33 0.00 8.23 0.04 -1.26 -5.26 135.00 140.11 2dic s PRO 104 Ca 0.14 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.28 2dic s PRO 104 Cb -0.12 -3.28 0.39 0.00 0.04 0.00 0.00 34.50 31.53 2dic s PRO 104 CO 0.03 -0.43 0.86 -1.13 0.04 0.00 0.00 177.00 176.37