#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 4.39 -4.47 1.61 3.41 -1.26 -4.98 113.62 112.32 2dic n SER 2 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 2dic n SER 2 Cb 0.00 0.39 -0.10 0.00 -0.26 0.00 0.00 64.21 64.25 2dic n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dic s SER 3 N -2.93 6.14 0.00 4.04 0.15 -1.26 -4.95 113.70 114.88 2dic s SER 3 Ca 0.00 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 55.85 2dic s SER 3 Cb 0.00 -2.18 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 2dic s SER 3 CO 0.00 -0.48 0.00 0.61 1.20 0.00 0.00 173.24 174.57 2dic n GLY 4 N 5.14 2.85 3.94 9.45 0.00 -1.26 -5.09 105.19 120.22 2dic n GLY 4 Ca -0.10 -1.93 -0.28 0.00 0.00 0.00 0.00 46.02 43.72 2dic n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dic s SER 5 N 0.00 3.87 -0.02 1.61 1.04 -1.26 -5.02 113.70 113.93 2dic s SER 5 Ca 0.00 0.25 -0.25 0.00 0.48 0.00 0.00 55.95 56.43 2dic s SER 5 Cb 0.00 -0.54 -0.18 0.00 0.10 0.00 0.00 66.02 65.40 2dic s SER 5 CO 0.00 -2.23 1.19 0.28 0.98 0.00 0.00 173.24 173.45 2dic h SER 6 N -1.14 -0.13 0.00 7.02 0.02 -2.00 -3.47 113.55 113.85 2dic h SER 6 Ca -0.43 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.15 2dic h SER 6 Cb 1.27 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.84 2dic h SER 6 CO 0.47 0.33 0.00 0.61 -1.14 0.00 0.00 176.83 177.10 2dic n GLY 7 N 0.14 0.00 0.00 -3.77 0.00 -1.26 -5.18 105.19 95.12 2dic n GLY 7 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 6.32 3.30 -0.02 0.00 -1.26 -5.14 105.19 108.39 2dic n GLY 8 Ca 0.00 -1.77 -0.17 0.00 0.00 0.00 0.00 46.02 44.08 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 -3.56 2.50 0.00 0.00 1.11 0.49 -4.91 119.66 115.29 2dic s GLN 10 Ca 0.19 -2.67 0.15 0.00 0.01 0.00 0.00 55.36 53.04 2dic s GLN 10 Cb -0.00 -3.65 0.76 0.00 -1.01 0.00 0.00 33.01 29.11 2dic s GLN 10 CO 0.04 -1.17 1.40 -0.35 0.01 0.00 0.00 175.29 175.21 2dic n PRO 11 N 3.21 0.24 0.02 2.91 -0.04 -1.26 -2.22 135.00 137.85 2dic n PRO 11 Ca 0.09 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.69 2dic n PRO 11 Cb 0.36 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.23 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 -1.26 0.68 0.03 3.54 3.41 -1.26 -3.90 113.62 114.85 2dic n SER 12 Ca 0.07 0.30 0.13 0.00 -0.26 0.00 0.00 58.87 59.11 2dic n SER 12 Cb 0.11 0.45 0.53 0.00 -0.26 0.00 0.00 64.21 65.03 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 -2.80 0.06 -2.34 4.33 5.12 -0.94 -4.82 116.66 115.27 2dic n ARG 13 Ca -0.11 0.10 -0.38 0.00 -1.93 0.00 0.00 57.85 55.53 2dic n ARG 13 Cb 0.84 -1.57 -0.02 0.00 -1.16 0.00 0.00 32.46 30.54 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 -3.03 3.25 -0.02 1.55 1.01 -1.25 -4.69 120.40 117.23 2dic s VAL 14 Ca 0.12 1.02 0.03 0.00 0.00 0.00 0.00 61.98 63.15 2dic s VAL 14 Cb 0.16 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.98 2dic s VAL 14 CO 0.49 0.06 -0.12 0.00 0.00 0.00 0.00 175.10 175.53 2dic s GLN 15 N -2.39 1.12 -0.09 2.72 -2.07 -1.22 -4.82 119.66 112.91 2dic s GLN 15 Ca 0.58 -0.43 -0.02 0.00 -1.82 0.00 0.00 55.36 53.68 2dic s GLN 15 Cb -0.29 -1.05 0.03 0.00 -1.09 0.00 0.00 33.01 30.62 2dic s GLN 15 CO 0.36 0.22 0.02 0.00 -1.32 0.00 0.00 175.29 174.56 2dic s ALA 16 N -0.08 0.65 0.02 2.60 0.00 -1.26 -2.43 121.76 121.26 2dic s ALA 16 Ca 0.01 -0.16 -0.09 0.00 0.00 0.00 0.00 51.96 51.73 2dic s ALA 16 Cb -0.07 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.26 2dic s ALA 16 CO 0.00 -0.59 0.17 1.14 0.00 0.00 0.00 175.76 176.49 2dic s GLN 17 N 2.00 0.59 0.00 0.00 1.03 -0.63 -5.01 119.66 117.64 2dic s GLN 17 Ca 0.04 -0.50 0.00 0.00 0.04 0.00 0.00 55.36 54.94 2dic s GLN 17 Cb -0.13 0.25 0.00 0.00 0.03 0.00 0.00 33.01 33.16 2dic s GLN 17 CO -0.05 -0.16 0.00 0.41 -2.54 0.00 0.00 175.29 172.95 2dic n GLY 18 N 1.08 -0.26 0.25 2.60 0.00 -1.26 0.36 105.19 107.96 2dic n GLY 18 Ca -0.21 -1.69 -0.11 0.00 0.00 0.00 0.00 46.02 44.01 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 4.20 0.82 0.00 1.61 0.13 -1.86 -2.45 132.00 134.44 2dic h PRO 19 Ca 0.00 -0.43 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2dic h PRO 19 Cb 0.00 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.15 2dic h PRO 19 CO 0.00 1.07 0.00 0.41 -0.23 0.00 0.00 178.00 179.25 2dic n GLY 20 N 0.10 -0.57 0.07 1.56 0.00 -0.35 -0.72 105.19 105.29 2dic n GLY 20 Ca -0.02 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.47 0.99 -0.05 0.99 4.77 -1.09 -4.74 117.00 116.40 2dic n LEU 21 Ca 0.01 -0.03 -0.02 0.00 -0.03 0.00 0.00 56.01 55.94 2dic n LEU 21 Cb 0.03 0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 2dic n LEU 21 CO 0.03 0.45 0.05 0.11 -1.33 0.00 0.00 177.39 176.70 2dic h LYS 22 N 0.00 0.00 -2.13 3.23 6.56 -0.92 -3.41 116.57 119.91 2dic h LYS 22 Ca -0.33 0.00 -0.06 0.00 -1.06 0.00 0.00 60.65 59.19 2dic h LYS 22 Cb 1.67 0.00 -0.20 0.00 -0.57 0.00 0.00 32.23 33.14 2dic h LYS 22 CO -0.01 0.17 0.11 -1.83 -2.06 0.00 0.00 179.45 175.83 2dic s GLU 23 N -1.68 0.93 0.30 3.15 -1.05 0.10 -4.28 118.70 116.19 2dic s GLU 23 Ca -0.04 0.44 0.05 0.00 -0.15 0.00 0.00 54.97 55.27 2dic s GLU 23 Cb -0.00 0.44 -0.02 0.00 -0.44 0.00 0.00 34.13 34.11 2dic s GLU 23 CO 0.12 -0.24 0.17 0.00 0.95 0.00 0.00 175.26 176.26 2dic n ALA 24 N 1.54 0.52 -2.33 -0.84 0.00 -1.25 -4.25 120.51 113.89 2dic n ALA 24 Ca -0.18 -1.63 -0.17 0.00 0.00 0.00 0.00 53.44 51.46 2dic n ALA 24 Cb 0.56 1.20 -0.10 0.00 0.00 0.00 0.00 19.45 21.11 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 -2.93 1.57 -0.04 0.00 0.40 -1.26 -2.35 117.98 113.37 2dic s PHE 25 Ca 0.24 -1.09 -0.29 0.00 -0.60 0.00 0.00 56.93 55.18 2dic s PHE 25 Cb 0.01 -0.94 -0.02 0.00 0.51 0.00 0.00 43.02 42.58 2dic s PHE 25 CO 0.17 -0.23 0.96 0.95 0.70 0.00 0.00 175.22 177.76 2dic s THR 26 N -3.63 4.86 -1.65 0.64 -4.23 -0.58 -3.43 115.64 107.62 2dic s THR 26 Ca 0.35 1.98 0.00 0.00 -1.18 0.00 0.00 61.69 62.84 2dic s THR 26 Cb 0.07 -4.28 0.00 0.00 1.34 0.00 0.00 72.50 69.63 2dic s THR 26 CO 0.12 0.12 0.00 0.59 -0.54 0.00 0.00 174.62 174.91 2dic n ASN 27 N 4.27 -5.33 -4.35 3.99 3.02 -0.63 -4.70 115.26 111.53 2dic n ASN 27 Ca 0.06 0.07 -0.30 0.00 -0.03 0.00 0.00 54.58 54.38 2dic n ASN 27 Cb 0.50 -4.40 -0.15 0.00 -0.61 0.00 0.00 39.78 35.13 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 -4.67 1.86 -0.38 3.52 1.02 -1.22 -5.00 119.74 114.87 2dic s LYS 28 Ca 0.00 -1.08 -0.28 0.00 0.02 0.00 0.00 55.97 54.63 2dic s LYS 28 Cb 0.00 -2.00 -0.01 0.00 -0.52 0.00 0.00 37.83 35.29 2dic s LYS 28 CO 0.00 0.52 1.72 -1.25 -0.92 0.00 0.00 175.35 175.42 2dic s PRO 29 N -1.19 3.32 -0.22 -1.68 0.04 -1.26 -4.45 135.00 129.56 2dic s PRO 29 Ca 0.12 1.23 -0.03 0.00 0.04 0.00 0.00 61.00 62.36 2dic s PRO 29 Cb -0.10 -4.18 0.00 0.00 0.04 0.00 0.00 34.50 30.26 2dic s PRO 29 CO 0.02 -1.88 -0.07 -0.80 0.04 0.00 0.00 177.00 174.31 2dic s ASN 30 N 5.79 4.11 0.37 6.66 0.01 -0.77 -4.98 114.94 126.14 2dic s ASN 30 Ca 0.74 -0.52 0.04 0.00 -0.71 0.00 0.00 52.86 52.41 2dic s ASN 30 Cb -0.19 -1.69 -0.05 0.00 0.41 0.00 0.00 41.25 39.73 2dic s ASN 30 CO 0.32 -0.04 0.07 0.68 -1.51 0.00 0.00 177.10 176.63 2dic s VAL 31 N 1.42 1.04 0.13 1.60 -7.23 -1.26 -0.68 120.40 115.43 2dic s VAL 31 Ca 0.05 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.05 2dic s VAL 31 Cb -0.14 -2.62 0.04 0.00 0.56 0.00 0.00 36.38 34.22 2dic s VAL 31 CO -0.05 0.00 0.44 0.72 -0.31 0.00 0.00 175.10 175.89 2dic s PHE 32 N -3.21 -0.26 -0.14 2.82 -0.71 -1.22 -1.21 117.98 114.05 2dic s PHE 32 Ca 0.30 -0.04 -0.14 0.00 -1.04 0.00 0.00 56.93 56.01 2dic s PHE 32 Cb 0.06 0.31 -0.05 0.00 -1.21 0.00 0.00 43.02 42.14 2dic s PHE 32 CO 0.14 -0.73 0.30 0.99 -1.34 0.00 0.00 175.22 174.58 2dic s THR 33 N -3.80 5.29 -0.22 -4.49 2.01 0.16 -4.12 115.64 110.48 2dic s THR 33 Ca 0.03 0.56 0.00 0.00 0.31 0.00 0.00 61.69 62.59 2dic s THR 33 Cb 0.01 -3.63 0.06 0.00 0.01 0.00 0.00 72.50 68.95 2dic s THR 33 CO -0.12 0.42 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.50 2dic s VAL 34 N 0.24 1.33 -0.60 3.82 1.01 -1.02 -1.61 120.40 123.56 2dic s VAL 34 Ca 0.17 -1.02 -0.14 0.00 0.00 0.00 0.00 61.98 60.99 2dic s VAL 34 Cb -0.13 -1.60 0.15 0.00 0.00 0.00 0.00 36.38 34.79 2dic s VAL 34 CO 0.05 -0.06 0.55 -0.69 0.00 0.00 0.00 175.10 174.94 2dic s VAL 35 N 1.50 5.17 -0.54 2.92 1.01 -1.02 -0.22 120.40 129.21 2dic s VAL 35 Ca -0.04 -1.80 0.01 0.00 0.00 0.00 0.00 61.98 60.15 2dic s VAL 35 Cb -0.18 -4.29 0.51 0.00 0.00 0.00 0.00 36.38 32.43 2dic s VAL 35 CO -0.07 -0.90 1.96 0.35 0.00 0.00 0.00 175.10 176.44 2dic n THR 36 N 4.87 3.34 -2.54 3.92 -2.24 -1.26 -3.38 114.28 116.98 2dic n THR 36 Ca -0.06 -2.35 -0.41 0.00 -2.27 0.00 0.00 64.05 58.96 2dic n THR 36 Cb 0.42 -0.88 -0.03 0.00 -2.10 0.00 0.00 70.33 67.74 2dic n THR 36 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2dic s ARG 37 N -3.38 3.47 0.00 -0.78 1.81 -1.26 -3.34 118.95 115.47 2dic s ARG 37 Ca 0.58 -0.90 0.00 0.00 -1.72 0.00 0.00 55.73 53.69 2dic s ARG 37 Cb 0.47 -5.10 0.00 0.00 -0.45 0.00 0.00 34.95 29.87 2dic s ARG 37 CO 0.04 -2.23 0.00 0.41 -0.68 0.00 0.00 175.30 172.84 2dic n GLY 38 N 6.56 2.10 0.42 -3.53 0.00 -1.26 -5.00 105.19 104.48 2dic n GLY 38 Ca 0.27 -0.39 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 -0.55 0.00 4.61 0.00 -1.78 -3.45 119.26 118.09 2dic h ALA 39 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2dic h ALA 39 Cb 0.00 1.34 0.00 0.00 0.00 0.00 0.00 17.79 19.13 2dic h ALA 39 CO 0.00 -0.97 0.00 0.41 0.00 0.00 0.00 179.25 178.69 2dic n GLY 40 N -1.27 0.02 3.04 0.00 0.00 -1.26 -0.38 105.19 105.34 2dic n GLY 40 Ca 0.02 -1.10 -0.32 0.00 0.00 0.00 0.00 46.02 44.62 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 -4.00 2.09 0.13 -0.61 1.09 -1.26 -5.01 121.20 113.63 2dic s ILE 41 Ca 0.00 -1.71 -0.26 0.00 -1.10 0.00 0.00 60.65 57.59 2dic s ILE 41 Cb 0.00 -2.28 0.07 0.00 -1.06 0.00 0.00 42.46 39.19 2dic s ILE 41 CO 0.00 -0.15 1.01 -0.83 -0.10 0.00 0.00 174.94 174.87 2dic s GLY 42 N 1.11 -0.23 -0.27 6.18 0.00 -1.26 -4.86 107.32 107.98 2dic s GLY 42 Ca -0.05 0.17 -0.23 0.00 0.00 0.00 0.00 44.72 44.61 2dic s GLY 42 CO -0.06 0.14 0.76 -0.32 0.00 0.00 0.00 173.10 173.62 2dic s GLY 43 N -2.98 1.75 -0.02 0.20 0.00 -1.26 -4.67 107.32 100.34 2dic s GLY 43 Ca 0.13 -0.33 -0.26 0.00 0.00 0.00 0.00 44.72 44.26 2dic s GLY 43 CO 0.02 1.69 0.81 -2.27 0.00 0.00 0.00 173.10 173.35 2dic s LEU 44 N 2.80 4.36 -0.17 0.66 2.96 -1.26 -0.46 118.68 127.58 2dic s LEU 44 Ca 0.32 1.40 -0.00 0.00 -0.22 0.00 0.00 54.13 55.62 2dic s LEU 44 Cb -0.15 -3.28 0.04 0.00 0.50 0.00 0.00 46.19 43.30 2dic s LEU 44 CO 0.10 -0.14 -0.08 -0.83 -1.32 0.00 0.00 176.35 174.08 2dic s GLY 45 N 0.70 1.04 -0.21 7.98 0.00 -0.38 -4.98 107.32 111.46 2dic s GLY 45 Ca 0.43 -0.90 -0.02 0.00 0.00 0.00 0.00 44.72 44.22 2dic s GLY 45 CO 0.22 0.83 -0.09 -0.42 0.00 0.00 0.00 173.10 173.64 2dic s ILE 46 N 1.57 2.93 0.19 0.90 1.01 -1.26 -1.82 121.20 124.72 2dic s ILE 46 Ca 0.01 -0.65 0.07 0.00 0.00 0.00 0.00 60.65 60.08 2dic s ILE 46 Cb -0.15 -2.31 -0.05 0.00 0.01 0.00 0.00 42.46 39.96 2dic s ILE 46 CO -0.08 0.46 -0.14 0.42 0.00 0.00 0.00 174.94 175.59 2dic s THR 47 N 1.41 1.65 -0.05 2.92 -4.23 0.31 -4.97 115.64 112.68 2dic s THR 47 Ca 0.05 -2.13 0.04 0.00 -1.18 0.00 0.00 61.69 58.48 2dic s THR 47 Cb -0.14 -1.96 -0.00 0.00 1.34 0.00 0.00 72.50 71.74 2dic s THR 47 CO -0.07 -0.57 -0.17 -0.69 -0.54 0.00 0.00 174.62 172.58 2dic s VAL 48 N -2.86 1.42 -0.05 2.29 1.01 -1.26 0.47 120.40 121.42 2dic s VAL 48 Ca 0.20 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.53 2dic s VAL 48 Cb -0.01 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 2dic s VAL 48 CO 0.06 0.41 -0.20 -1.61 0.00 0.00 0.00 175.10 173.76 2dic s GLU 49 N 0.08 2.05 0.00 2.72 2.02 -0.21 -4.74 118.70 120.63 2dic s GLU 49 Ca -0.05 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.22 2dic s GLU 49 Cb -0.12 -1.78 0.00 0.00 0.10 0.00 0.00 34.13 32.34 2dic s GLU 49 CO 0.02 0.31 0.00 0.41 0.02 0.00 0.00 175.26 176.02 2dic n GLY 50 N 3.04 1.41 0.00 -1.39 0.00 -1.26 -0.89 105.19 106.10 2dic n GLY 50 Ca -0.18 -0.78 0.07 0.00 0.00 0.00 0.00 46.02 45.13 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 0.04 -3.69 1.61 -0.04 -1.26 -4.74 135.00 126.92 2dic n PRO 51 Ca 0.00 0.24 -0.15 0.00 -0.04 0.00 0.00 63.50 63.55 2dic n PRO 51 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 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 -2.92 -0.35 0.18 3.54 1.04 -1.26 -4.99 113.70 108.93 2dic s SER 52 Ca 0.08 0.34 -0.30 0.00 0.48 0.00 0.00 55.95 56.55 2dic s SER 52 Cb 0.09 0.43 -0.09 0.00 0.10 0.00 0.00 66.02 66.56 2dic s SER 52 CO 0.25 -0.47 1.37 -0.70 0.98 0.00 0.00 173.24 174.68 2dic s GLU 53 N -1.15 4.34 -0.02 4.02 2.12 -1.26 -4.71 118.70 122.03 2dic s GLU 53 Ca -0.12 2.12 0.00 0.00 0.36 0.00 0.00 54.97 57.34 2dic s GLU 53 Cb -0.04 -3.19 -0.04 0.00 0.26 0.00 0.00 34.13 31.12 2dic s GLU 53 CO 0.06 -0.36 0.02 -1.12 -0.54 0.00 0.00 175.26 173.31 2dic s SER 54 N 0.63 5.25 -0.85 -1.70 0.01 -1.26 -4.18 113.70 111.59 2dic s SER 54 Ca 0.60 0.05 -0.25 0.00 1.31 0.00 0.00 55.95 57.66 2dic s SER 54 Cb -0.38 -1.42 0.03 0.00 0.21 0.00 0.00 66.02 64.46 2dic s SER 54 CO 0.36 0.30 1.40 -0.54 0.41 0.00 0.00 173.24 175.18 2dic s LYS 55 N -1.44 3.30 0.20 12.44 1.02 0.18 -4.73 119.74 130.72 2dic s LYS 55 Ca 0.19 -0.56 -0.12 0.00 0.02 0.00 0.00 55.97 55.50 2dic s LYS 55 Cb -0.12 -4.70 -0.07 0.00 -0.52 0.00 0.00 37.83 32.42 2dic s LYS 55 CO 0.09 -2.25 0.57 0.42 -0.92 0.00 0.00 175.35 173.26 2dic s ILE 56 N 5.77 4.88 -0.23 2.17 1.01 -1.26 -1.58 121.20 131.96 2dic s ILE 56 Ca 0.42 0.66 -0.04 0.00 0.00 0.00 0.00 60.65 61.70 2dic s ILE 56 Cb -0.05 -3.67 0.12 0.00 0.01 0.00 0.00 42.46 38.87 2dic s ILE 56 CO 0.05 0.05 0.37 0.20 0.00 0.00 0.00 174.94 175.61 2dic s ASN 57 N -2.09 0.18 0.12 3.58 0.01 0.14 -4.97 114.94 111.91 2dic s ASN 57 Ca 0.44 0.39 -0.21 0.00 -0.71 0.00 0.00 52.86 52.77 2dic s ASN 57 Cb -0.13 1.12 -0.07 0.00 0.41 0.00 0.00 41.25 42.58 2dic s ASN 57 CO 0.20 -0.28 0.65 0.00 -1.51 0.00 0.00 177.10 176.16 2dic s ARG 59 N -1.22 2.22 -0.32 0.00 6.06 -0.12 -5.01 118.95 120.56 2dic s ARG 59 Ca 0.33 -0.90 -0.17 0.00 -2.50 0.00 0.00 55.73 52.48 2dic s ARG 59 Cb -0.20 -2.04 -0.02 0.00 0.06 0.00 0.00 34.95 32.75 2dic s ARG 59 CO 0.22 0.49 0.47 0.34 -2.50 0.00 0.00 175.30 174.32 2dic s ASP 60 N -0.44 6.31 -0.24 -2.12 2.15 -1.26 -3.39 116.67 117.67 2dic s ASP 60 Ca 0.05 0.11 -0.10 0.00 0.43 0.00 0.00 52.55 53.04 2dic s ASP 60 Cb -0.11 -2.25 -0.05 0.00 -0.30 0.00 0.00 42.92 40.21 2dic s ASP 60 CO 0.01 -0.37 0.15 0.20 -0.17 0.00 0.00 175.17 174.98 2dic s ASN 61 N 1.70 5.97 -0.24 -0.34 0.01 -1.26 -4.97 114.94 115.80 2dic s ASN 61 Ca 0.18 0.06 -0.00 0.00 -0.71 0.00 0.00 52.86 52.38 2dic s ASN 61 Cb -0.16 -2.08 0.20 0.00 0.41 0.00 0.00 41.25 39.62 2dic s ASN 61 CO 0.12 0.04 1.87 0.29 -1.51 0.00 0.00 177.10 177.91 2dic n LYS 62 N 4.45 1.63 0.05 -0.60 5.02 -1.26 -4.13 118.16 123.31 2dic n LYS 62 Ca -0.15 -1.27 0.00 0.00 -2.02 0.00 0.00 58.31 54.87 2dic n LYS 62 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 2dic n LYS 62 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2dic n ASP 63 N 0.40 0.88 0.00 4.39 2.03 -1.26 -5.07 116.55 117.91 2dic n ASP 63 Ca 0.25 0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.72 2dic n ASP 63 Cb 0.65 -0.23 0.00 0.00 -0.72 0.00 0.00 41.12 40.82 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 3.28 -0.33 2.95 0.27 0.00 -1.26 -5.18 105.19 104.92 2dic n GLY 64 Ca 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.34 -3.90 1.61 3.41 -1.26 -4.46 113.62 107.67 2dic n SER 65 Ca 0.00 -1.71 -0.18 0.00 -0.26 0.00 0.00 58.87 56.72 2dic n SER 65 Cb 0.00 2.19 -0.16 0.00 -0.26 0.00 0.00 64.21 65.98 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 0.58 4.09 -0.04 0.00 0.15 -1.22 -2.44 113.70 114.81 2dic s SER 67 Ca -0.07 -0.23 -0.02 0.00 0.70 0.00 0.00 55.95 56.33 2dic s SER 67 Cb -0.10 -1.19 0.03 0.00 -1.71 0.00 0.00 66.02 63.05 2dic s SER 67 CO -0.00 0.27 0.06 0.00 1.20 0.00 0.00 173.24 174.77 2dic s ALA 68 N -0.30 0.21 -0.03 5.45 0.00 -1.26 -0.95 121.76 124.89 2dic s ALA 68 Ca 0.03 0.21 0.04 0.00 0.00 0.00 0.00 51.96 52.23 2dic s ALA 68 Cb -0.13 -0.60 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 2dic s ALA 68 CO 0.03 -0.47 -0.14 -1.83 0.00 0.00 0.00 175.76 173.35 2dic s GLU 69 N 2.11 2.44 0.02 0.00 -1.05 -0.71 -3.41 118.70 118.10 2dic s GLU 69 Ca 0.04 -0.74 0.01 0.00 -0.15 0.00 0.00 54.97 54.13 2dic s GLU 69 Cb -0.12 -2.36 -0.02 0.00 -0.44 0.00 0.00 34.13 31.19 2dic s GLU 69 CO -0.03 0.61 -0.04 1.52 0.95 0.00 0.00 175.26 178.26 2dic s TYR 70 N -0.80 0.39 -0.25 4.83 -0.85 0.15 0.25 117.35 121.07 2dic s TYR 70 Ca 0.13 -0.42 -0.02 0.00 -0.52 0.00 0.00 57.07 56.23 2dic s TYR 70 Cb -0.11 -0.25 0.08 0.00 0.38 0.00 0.00 41.96 42.06 2dic s TYR 70 CO 0.02 -0.12 0.07 0.42 -1.52 0.00 0.00 175.55 174.42 2dic s ILE 71 N -1.15 0.63 1.04 -3.49 1.01 -0.62 -1.84 121.20 116.78 2dic s ILE 71 Ca -0.11 -0.92 -0.13 0.00 0.00 0.00 0.00 60.65 59.49 2dic s ILE 71 Cb -0.08 -1.29 0.21 0.00 0.01 0.00 0.00 42.46 41.30 2dic s ILE 71 CO -0.00 -0.44 1.10 -2.16 0.00 0.00 0.00 174.94 173.44 2dic s PRO 72 N 1.78 0.11 0.00 2.79 0.04 -1.26 -0.64 135.00 137.81 2dic s PRO 72 Ca 0.04 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.49 2dic s PRO 72 Cb -0.17 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.66 2dic s PRO 72 CO -0.17 -2.93 0.00 1.19 0.04 0.00 0.00 177.00 175.13 2dic n PHE 73 N -4.29 0.00 -3.75 0.56 3.01 -1.26 -1.60 117.46 110.13 2dic n PHE 73 Ca 0.06 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.39 2dic n PHE 73 Cb 0.58 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.95 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 -0.95 -0.88 0.48 4.37 0.00 -1.26 -4.82 121.76 118.69 2dic s ALA 74 Ca 0.00 0.80 -0.22 0.00 0.00 0.00 0.00 51.96 52.54 2dic s ALA 74 Cb 0.00 -0.36 -0.07 0.00 0.00 0.00 0.00 23.12 22.69 2dic s ALA 74 CO 0.00 -0.21 1.16 -1.25 0.00 0.00 0.00 175.76 175.46 2dic s PRO 75 N -0.35 3.67 0.00 0.00 0.04 -1.26 -4.80 135.00 132.29 2dic s PRO 75 Ca -0.05 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.73 2dic s PRO 75 Cb -0.03 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.19 2dic s PRO 75 CO 0.02 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 176.85 2dic n GLY 76 N 0.38 -0.78 3.51 0.56 0.00 -0.78 -4.94 105.19 103.13 2dic n GLY 76 Ca 0.08 -1.36 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 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 6.33 0.18 1.61 1.01 -1.26 -1.92 116.67 118.61 2dic s ASP 77 Ca 0.00 -0.41 0.04 0.00 0.71 0.00 0.00 52.55 52.89 2dic s ASP 77 Cb 0.00 -2.35 -0.04 0.00 1.01 0.00 0.00 42.92 41.55 2dic s ASP 77 CO 0.00 -0.91 0.25 -0.31 0.21 0.00 0.00 175.17 174.41 2dic s TYR 78 N 3.08 3.35 -0.09 4.23 1.51 -1.12 -4.68 117.35 123.62 2dic s TYR 78 Ca 0.24 0.04 0.01 0.00 -1.01 0.00 0.00 57.07 56.35 2dic s TYR 78 Cb -0.14 -1.58 0.02 0.00 -0.11 0.00 0.00 41.96 40.14 2dic s TYR 78 CO 0.18 0.51 -0.10 -0.51 -1.11 0.00 0.00 175.55 174.52 2dic s ASP 79 N -3.36 2.04 -0.50 2.29 1.01 -0.07 -1.59 116.67 116.49 2dic s ASP 79 Ca 0.33 -0.32 -0.18 0.00 0.71 0.00 0.00 52.55 53.09 2dic s ASP 79 Cb -0.10 -0.87 0.06 0.00 1.01 0.00 0.00 42.92 43.03 2dic s ASP 79 CO 0.27 -0.04 0.57 -0.69 0.21 0.00 0.00 175.17 175.49 2dic s VAL 80 N 1.20 4.96 -0.40 -1.27 1.01 -0.43 -1.04 120.40 124.43 2dic s VAL 80 Ca -0.04 -0.64 -0.24 0.00 0.00 0.00 0.00 61.98 61.06 2dic s VAL 80 Cb -0.14 -4.26 0.02 0.00 0.00 0.00 0.00 36.38 31.99 2dic s VAL 80 CO -0.03 -0.76 0.82 0.20 0.00 0.00 0.00 175.10 175.33 2dic s ASN 81 N 2.69 6.52 -0.16 3.32 0.01 0.17 -1.63 114.94 125.87 2dic s ASN 81 Ca 0.12 0.22 0.02 0.00 -0.71 0.00 0.00 52.86 52.51 2dic s ASN 81 Cb -0.21 -2.41 0.01 0.00 0.41 0.00 0.00 41.25 39.06 2dic s ASN 81 CO 0.10 -0.84 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.02 2dic s ILE 82 N 3.28 2.12 0.01 0.60 1.01 -1.26 -0.53 121.20 126.43 2dic s ILE 82 Ca 0.32 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 60.06 2dic s ILE 82 Cb -0.12 -1.86 -0.01 0.00 0.01 0.00 0.00 42.46 40.47 2dic s ILE 82 CO 0.20 0.54 -0.10 0.42 0.00 0.00 0.00 174.94 176.00 2dic s THR 83 N 0.99 0.81 -0.41 2.92 -4.23 -0.76 -2.70 115.64 112.27 2dic s THR 83 Ca -0.03 -0.65 -0.08 0.00 -1.18 0.00 0.00 61.69 59.75 2dic s THR 83 Cb -0.15 -0.72 0.08 0.00 1.34 0.00 0.00 72.50 73.05 2dic s THR 83 CO -0.06 0.08 0.24 -0.47 -0.54 0.00 0.00 174.62 173.87 2dic s TYR 84 N -0.54 3.36 0.00 3.99 5.04 0.06 -1.26 117.35 128.00 2dic s TYR 84 Ca 0.01 -1.62 0.00 0.00 -2.44 0.00 0.00 57.07 53.02 2dic s TYR 84 Cb -0.06 -2.94 0.00 0.00 0.35 0.00 0.00 41.96 39.32 2dic s TYR 84 CO 0.00 -0.86 0.00 0.41 -1.34 0.00 0.00 175.55 173.77 2dic n GLY 85 N 4.87 1.62 0.51 8.97 0.00 0.40 -2.86 105.19 118.71 2dic n GLY 85 Ca -0.09 -0.01 -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 0.90 3.17 -0.02 0.00 -1.26 -4.75 105.19 103.23 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 1.06 -0.08 4.61 0.00 -1.13 -5.14 121.76 121.07 2dic s ALA 87 Ca 0.00 -1.23 -0.15 0.00 0.00 0.00 0.00 51.96 50.58 2dic s ALA 87 Cb 0.00 0.07 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 2dic s ALA 87 CO 0.00 -0.10 0.39 -1.01 0.00 0.00 0.00 175.76 175.04 2dic s HIS 88 N -2.81 3.59 0.51 0.00 0.09 -1.26 -0.76 115.29 114.65 2dic s HIS 88 Ca 0.07 0.85 -0.19 0.00 -0.00 0.00 0.00 55.06 55.79 2dic s HIS 88 Cb -0.00 -2.37 -0.07 0.00 -0.00 0.00 0.00 32.58 30.13 2dic s HIS 88 CO -0.01 0.41 1.03 0.96 -0.00 0.00 0.00 174.74 177.12 2dic s ILE 89 N -0.19 3.91 -0.82 0.60 -4.36 -1.10 -4.82 121.20 114.43 2dic s ILE 89 Ca 0.22 1.09 -0.25 0.00 -0.26 0.00 0.00 60.65 61.45 2dic s ILE 89 Cb -0.15 -3.47 -0.04 0.00 1.25 0.00 0.00 42.46 40.05 2dic s ILE 89 CO 0.10 -0.35 1.92 -2.16 0.24 0.00 0.00 174.94 174.69 2dic s PRO 90 N -3.51 2.58 0.00 0.37 0.04 -1.25 -2.58 135.00 130.64 2dic s PRO 90 Ca 0.65 -0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.67 2dic s PRO 90 Cb -0.15 -4.86 0.00 0.00 0.04 0.00 0.00 34.50 29.53 2dic s PRO 90 CO 0.25 -3.19 0.00 0.41 0.04 0.00 0.00 177.00 174.51 2dic n GLY 91 N 6.51 0.34 3.79 0.56 0.00 -1.26 -5.01 105.19 110.11 2dic n GLY 91 Ca 0.34 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.09 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 5.49 0.35 1.61 0.15 -1.06 -3.52 113.70 116.72 2dic s SER 92 Ca 0.00 -0.10 -0.27 0.00 0.70 0.00 0.00 55.95 56.28 2dic s SER 92 Cb 0.00 -1.44 -0.09 0.00 -1.71 0.00 0.00 66.02 62.78 2dic s SER 92 CO 0.00 0.10 1.21 -2.16 1.20 0.00 0.00 173.24 173.59 2dic s PRO 93 N -2.88 4.27 -0.37 5.44 0.04 -1.26 -4.91 135.00 135.34 2dic s PRO 93 Ca 0.30 1.98 -0.21 0.00 0.04 0.00 0.00 61.00 63.11 2dic s PRO 93 Cb -0.11 -2.92 0.01 0.00 0.04 0.00 0.00 34.50 31.52 2dic s PRO 93 CO 0.23 -0.18 0.66 -0.06 0.04 0.00 0.00 177.00 177.69 2dic s PHE 94 N -1.26 3.13 0.72 0.56 0.40 -0.65 -4.72 117.98 116.16 2dic s PHE 94 Ca 0.52 0.32 -0.15 0.00 -0.60 0.00 0.00 56.93 57.02 2dic s PHE 94 Cb -0.34 -3.21 0.03 0.00 0.51 0.00 0.00 43.02 40.01 2dic s PHE 94 CO 0.45 -0.68 1.18 1.03 0.70 0.00 0.00 175.22 177.90 2dic s ARG 95 N 2.79 2.26 -0.28 0.44 1.81 -1.26 -1.32 118.95 123.40 2dic s ARG 95 Ca 0.25 1.66 0.01 0.00 -1.72 0.00 0.00 55.73 55.92 2dic s ARG 95 Cb -0.14 -1.86 0.17 0.00 -0.45 0.00 0.00 34.95 32.67 2dic s ARG 95 CO 0.16 -1.72 0.48 0.08 -0.68 0.00 0.00 175.30 173.62 2dic s VAL 96 N -2.10 -0.78 -0.89 3.52 1.01 -0.62 -4.58 120.40 115.95 2dic s VAL 96 Ca 0.72 -0.11 -0.25 0.00 0.00 0.00 0.00 61.98 62.35 2dic s VAL 96 Cb -0.27 -0.94 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 2dic s VAL 96 CO 0.45 -0.12 1.94 -2.16 0.00 0.00 0.00 175.10 175.21 2dic s PRO 97 N 2.67 2.56 -0.34 2.72 0.04 -1.26 -2.81 135.00 138.58 2dic s PRO 97 Ca 0.13 -0.27 -0.29 0.00 0.04 0.00 0.00 61.00 60.62 2dic s PRO 97 Cb -0.13 -5.04 0.01 0.00 0.04 0.00 0.00 34.50 29.37 2dic s PRO 97 CO -0.23 -3.35 1.27 0.08 0.04 0.00 0.00 177.00 174.81 2dic s VAL 98 N 10.03 4.15 0.45 -0.36 1.01 -0.81 -3.74 120.40 131.14 2dic s VAL 98 Ca 0.70 1.28 0.03 0.00 0.00 0.00 0.00 61.98 63.99 2dic s VAL 98 Cb -0.07 -4.24 0.01 0.00 0.00 0.00 0.00 36.38 32.08 2dic s VAL 98 CO -0.00 -0.58 0.65 -0.54 0.00 0.00 0.00 175.10 174.62 2dic s LYS 99 N 4.26 2.87 -0.27 2.72 1.02 -0.99 -1.87 119.74 127.49 2dic s LYS 99 Ca 0.55 -0.81 -0.12 0.00 0.02 0.00 0.00 55.97 55.61 2dic s LYS 99 Cb -0.15 -2.62 -0.05 0.00 -0.52 0.00 0.00 37.83 34.49 2dic s LYS 99 CO 0.25 -0.34 0.23 0.16 -0.92 0.00 0.00 175.35 174.72 2dic s ASP 100 N -4.29 6.10 0.18 2.83 1.47 -1.26 -1.53 116.67 120.17 2dic s ASP 100 Ca 0.51 0.10 -0.14 0.00 1.18 0.00 0.00 52.55 54.20 2dic s ASP 100 Cb -0.10 -2.14 0.17 0.00 -0.34 0.00 0.00 42.92 40.51 2dic s ASP 100 CO 0.36 -0.05 1.70 0.58 0.68 0.00 0.00 175.17 178.44 2dic h VAL 101 N 5.28 0.67 -2.73 2.11 2.07 -1.97 -3.47 116.25 118.22 2dic h VAL 101 Ca -0.35 -0.05 0.08 0.00 0.82 0.00 0.00 66.70 67.20 2dic h VAL 101 Cb 1.18 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 2dic h VAL 101 CO 0.60 0.03 0.44 0.68 0.02 0.00 0.00 177.57 179.33 2dic s VAL 102 N -6.16 0.00 0.42 2.57 -7.23 -1.26 -5.15 120.40 103.59 2dic s VAL 102 Ca -0.13 -0.78 -0.22 0.00 -1.81 0.00 0.00 61.98 59.03 2dic s VAL 102 Cb 0.15 -2.79 -0.12 0.00 0.56 0.00 0.00 36.38 34.18 2dic s VAL 102 CO 0.72 0.00 0.57 -0.90 -0.31 0.00 0.00 175.10 175.18 2dic n ASP 103 N -1.22 -0.77 -4.44 4.85 5.68 -1.26 -4.95 116.55 114.43 2dic n ASP 103 Ca -0.05 0.91 -0.29 0.00 -0.50 0.00 0.00 54.79 54.86 2dic n ASP 103 Cb 0.60 -1.13 0.20 0.00 -1.14 0.00 0.00 41.12 39.65 2dic n ASP 103 CO 0.00 0.00 0.00 -2.16 -1.33 0.00 0.00 177.20 173.71 2dic s PRO 104 N -1.61 -0.11 0.00 0.11 0.04 -1.26 -5.22 135.00 126.95 2dic s PRO 104 Ca 0.63 0.34 0.19 0.00 0.04 0.00 0.00 61.00 62.20 2dic s PRO 104 Cb -0.60 -1.69 1.13 0.00 0.04 0.00 0.00 34.50 33.39 2dic s PRO 104 CO 0.58 -3.06 1.53 0.45 0.04 0.00 0.00 177.00 176.54