#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cif n GLU -4 N 0.00 0.00 -3.98 -0.78 1.02 -1.26 -5.10 120.64 110.54 1cif n GLU -4 Ca 0.00 -0.46 -0.16 0.00 -0.02 0.00 0.00 57.16 56.52 1cif n GLU -4 Cb 0.00 0.40 -0.15 0.00 -0.02 0.00 0.00 31.44 31.66 1cif n GLU -4 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1cif s PHE -3 N 0.00 0.32 -0.01 -0.32 5.36 -1.26 -5.06 117.98 117.00 1cif s PHE -3 Ca 0.00 -0.03 0.05 0.00 -0.96 0.00 0.00 56.93 55.99 1cif s PHE -3 Cb 0.00 -0.33 -0.01 0.00 -0.34 0.00 0.00 43.02 42.34 1cif s PHE -3 CO 0.00 -0.08 -0.15 0.15 -1.46 0.00 0.00 175.22 173.68 1cif s LYS -2 N 0.60 1.23 0.69 10.12 1.02 -1.26 -5.09 119.74 127.04 1cif s LYS -2 Ca -0.06 -0.54 -0.15 0.00 0.02 0.00 0.00 55.97 55.23 1cif s LYS -2 Cb -0.09 -1.19 0.02 0.00 -0.52 0.00 0.00 37.83 36.05 1cif s LYS -2 CO -0.01 0.32 1.17 0.00 -0.92 0.00 0.00 175.35 175.91 1cif s ALA -1 N -0.35 2.30 0.00 5.17 0.00 -1.26 -4.76 121.76 122.85 1cif s ALA -1 Ca 0.06 0.77 0.00 0.00 0.00 0.00 0.00 51.96 52.79 1cif s ALA -1 Cb -0.06 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1cif s ALA -1 CO -0.01 -1.56 0.00 0.41 0.00 0.00 0.00 175.76 174.60 1cif n GLY 1 N 0.08 4.67 3.29 0.00 0.00 -1.26 -4.96 105.19 107.02 1cif n GLY 1 Ca 0.12 -0.85 -0.36 0.00 0.00 0.00 0.00 46.02 44.94 1cif n GLY 1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1cif s SER 2 N 1.00 4.67 0.38 1.61 0.15 -1.26 -4.94 113.70 115.30 1cif s SER 2 Ca 0.00 -0.67 0.16 0.00 0.70 0.00 0.00 55.95 56.14 1cif s SER 2 Cb 0.00 -1.78 0.75 0.00 -1.71 0.00 0.00 66.02 63.28 1cif s SER 2 CO 0.00 -0.12 1.80 0.00 1.20 0.00 0.00 173.24 176.12 1cif h ALA 3 N 8.13 1.21 -0.35 5.45 0.00 -1.89 0.35 119.26 132.17 1cif h ALA 3 Ca -0.34 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.08 1cif h ALA 3 Cb 1.13 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1cif h ALA 3 CO 0.59 0.47 -0.34 0.87 0.00 0.00 0.00 179.25 180.84 1cif h LYS 4 N 0.00 0.84 -0.61 0.00 1.57 -1.92 0.12 116.57 116.57 1cif h LYS 4 Ca -0.00 -0.44 -0.06 0.00 -1.87 0.00 0.00 60.65 58.27 1cif h LYS 4 Cb 0.74 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 1cif h LYS 4 CO 0.05 1.08 0.14 -0.22 -0.57 0.00 0.00 179.45 179.93 1cif h LYS 5 N 0.63 0.96 -0.42 3.15 1.63 -1.76 -2.95 116.57 117.81 1cif h LYS 5 Ca 0.06 -0.21 -0.12 0.00 -0.85 0.00 0.00 60.65 59.52 1cif h LYS 5 Cb 0.93 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.41 1cif h LYS 5 CO 0.09 0.86 -0.22 0.78 -3.45 0.00 0.00 179.45 177.51 1cif h GLY 6 N 1.03 0.91 0.95 5.01 0.00 -0.16 -2.45 103.07 108.36 1cif h GLY 6 Ca 0.20 -0.79 0.02 0.00 0.00 0.00 0.00 47.33 46.75 1cif h GLY 6 CO 0.00 0.72 0.45 0.00 0.00 0.00 0.00 176.54 177.71 1cif h ALA 7 N 1.02 0.90 0.00 3.60 0.00 -0.58 -1.73 119.26 122.45 1cif h ALA 7 Ca 0.10 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1cif h ALA 7 Cb 0.75 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1cif h ALA 7 CO 0.06 0.27 -0.60 1.79 0.00 0.00 0.00 179.25 180.77 1cif h THR 8 N 0.91 0.33 -0.12 0.00 1.35 -1.55 -2.70 112.91 111.13 1cif h THR 8 Ca 0.27 -1.51 -0.20 0.00 -0.55 0.00 0.00 66.41 64.41 1cif h THR 8 Cb -0.06 2.02 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 1cif h THR 8 CO -0.08 0.19 -0.75 0.25 -0.25 0.00 0.00 175.52 174.89 1cif h LEU 9 N 0.00 0.73 -0.02 3.87 5.85 -1.22 -2.40 115.31 122.13 1cif h LEU 9 Ca -0.03 -0.48 -0.00 0.00 0.84 0.00 0.00 57.88 58.21 1cif h LEU 9 Cb 1.21 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 1cif h LEU 9 CO 0.03 1.25 0.01 0.15 -0.34 0.00 0.00 178.44 179.53 1cif h PHE 10 N 0.43 0.02 -0.23 1.25 3.57 -1.25 0.11 116.94 120.83 1cif h PHE 10 Ca -0.04 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.48 1cif h PHE 10 Cb 1.35 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 40.06 1cif h PHE 10 CO 0.07 0.12 0.09 0.87 -2.23 0.00 0.00 178.31 177.23 1cif h LYS 11 N -0.08 0.20 0.00 1.11 1.57 -1.52 0.59 116.57 118.45 1cif h LYS 11 Ca 0.01 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1cif h LYS 11 Cb 0.10 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1cif h LYS 11 CO -0.00 0.14 -0.34 1.79 -0.57 0.00 0.00 179.45 180.47 1cif h THR 12 N 0.21 0.19 0.00 -0.16 1.35 -1.36 -3.35 112.91 109.78 1cif h THR 12 Ca 0.10 -1.28 -0.15 0.00 -0.55 0.00 0.00 66.41 64.53 1cif h THR 12 Cb 0.05 2.00 -0.03 0.00 -1.73 0.00 0.00 68.15 68.44 1cif h THR 12 CO -0.09 0.11 -1.55 0.54 -0.25 0.00 0.00 175.52 174.28 1cif n ARG 13 N -3.04 2.61 0.00 4.72 5.12 0.36 -4.88 116.66 121.55 1cif n ARG 13 Ca 0.02 -0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.94 1cif n ARG 13 Cb 0.59 -1.20 0.00 0.00 -1.16 0.00 0.00 32.46 30.68 1cif n ARG 13 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1cif h LEU 15 N 0.00 0.26 -0.71 0.00 5.85 -1.19 -0.99 115.31 118.53 1cif h LEU 15 Ca 0.00 -0.04 0.15 0.00 0.84 0.00 0.00 57.88 58.83 1cif h LEU 15 Cb 0.00 -0.07 -0.11 0.00 0.37 0.00 0.00 40.66 40.85 1cif h LEU 15 CO 0.00 0.36 0.11 -0.61 -0.34 0.00 0.00 178.44 177.96 1cif h GLN 16 N 0.27 0.20 -0.01 1.25 4.15 -1.85 -3.10 115.11 116.02 1cif h GLN 16 Ca 0.06 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1cif h GLN 16 Cb 0.28 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.93 1cif h GLN 16 CO 0.01 0.13 -0.14 0.00 -1.93 0.00 0.00 178.83 176.90 1cif s HIS 18 N -1.18 0.11 0.24 0.00 3.76 -0.41 -0.09 115.29 117.72 1cif s HIS 18 Ca 0.09 -0.32 0.09 0.00 -0.15 0.00 0.00 55.06 54.78 1cif s HIS 18 Cb 0.08 -0.08 -0.04 0.00 1.11 0.00 0.00 32.58 33.65 1cif s HIS 18 CO 0.21 -0.36 -0.05 0.95 -0.85 0.00 0.00 174.74 174.64 1cif s THR 19 N -2.18 3.29 0.00 1.30 -4.23 -1.26 -4.32 115.64 108.23 1cif s THR 19 Ca -0.08 -1.86 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 1cif s THR 19 Cb -0.03 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 71.09 1cif s THR 19 CO -0.02 -0.28 0.00 1.33 -0.54 0.00 0.00 174.62 175.10 1cif n VAL 20 N -0.54 0.00 -2.07 2.29 0.24 -1.26 -0.26 118.33 116.72 1cif n VAL 20 Ca -0.08 -0.13 -0.41 0.00 -2.04 0.00 0.00 64.34 61.69 1cif n VAL 20 Cb 0.58 0.60 -0.02 0.00 -1.47 0.00 0.00 33.84 33.53 1cif n VAL 20 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1cif s GLU 21 N -1.37 4.32 0.24 7.34 1.03 -1.26 -3.12 118.70 125.88 1cif s GLU 21 Ca 0.00 2.27 -0.30 0.00 0.03 0.00 0.00 54.97 56.96 1cif s GLU 21 Cb 0.00 -3.06 -0.10 0.00 -0.80 0.00 0.00 34.13 30.17 1cif s GLU 21 CO 0.00 -0.24 1.47 -1.59 -1.33 0.00 0.00 175.26 173.57 1cif s LYS 22 N -1.81 4.25 0.00 -4.83 -2.85 -1.26 -0.82 119.74 112.42 1cif s LYS 22 Ca 0.50 2.33 0.00 0.00 -1.00 0.00 0.00 55.97 57.79 1cif s LYS 22 Cb -0.41 -3.11 0.00 0.00 -2.06 0.00 0.00 37.83 32.25 1cif s LYS 22 CO 0.54 -0.46 0.00 0.41 0.10 0.00 0.00 175.35 175.94 1cif n GLY 23 N 2.41 0.72 3.84 0.59 0.00 -1.26 -5.03 105.19 106.46 1cif n GLY 23 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 1cif n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cif s GLY 24 N -1.91 2.46 0.43 -0.02 0.00 0.00 -5.07 107.32 103.21 1cif s GLY 24 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 44.72 44.62 1cif s GLY 24 CO 0.00 0.19 0.68 2.56 0.00 0.00 0.00 173.10 176.53 1cif s PRO 25 N -2.15 3.36 0.50 2.90 0.04 -1.26 -4.76 135.00 133.63 1cif s PRO 25 Ca 0.41 -0.18 -0.21 0.00 0.04 0.00 0.00 61.00 61.07 1cif s PRO 25 Cb -0.14 -2.52 -0.07 0.00 0.04 0.00 0.00 34.50 31.81 1cif s PRO 25 CO 0.20 -0.13 1.10 -1.01 0.04 0.00 0.00 177.00 177.20 1cif s HIS 26 N -2.56 2.85 0.00 0.56 3.76 -1.26 -4.32 115.29 114.33 1cif s HIS 26 Ca 0.45 1.56 0.00 0.00 -0.15 0.00 0.00 55.06 56.92 1cif s HIS 26 Cb -0.10 -3.23 0.00 0.00 1.11 0.00 0.00 32.58 30.36 1cif s HIS 26 CO 0.40 -1.27 0.00 1.63 -0.85 0.00 0.00 174.74 174.65 1cif n LYS 27 N -0.94 0.48 -0.24 1.40 5.02 -1.26 -4.92 118.16 117.70 1cif n LYS 27 Ca 0.10 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.35 1cif n LYS 27 Cb 0.51 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.60 1cif n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1cif h VAL 28 N 0.00 1.06 -1.83 -0.18 2.07 -1.86 -3.42 116.25 112.09 1cif h VAL 28 Ca 0.00 -0.27 -0.45 0.00 0.82 0.00 0.00 66.70 66.80 1cif h VAL 28 Cb 0.00 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 1cif h VAL 28 CO 0.00 0.14 -0.37 -0.83 0.02 0.00 0.00 177.57 176.53 1cif s GLY 29 N -2.93 1.62 0.57 2.17 0.00 0.87 -5.07 107.32 104.56 1cif s GLY 29 Ca -0.13 -1.50 -0.16 0.00 0.00 0.00 0.00 44.72 42.94 1cif s GLY 29 CO 0.76 -1.42 1.04 2.56 0.00 0.00 0.00 173.10 176.04 1cif s PRO 30 N -4.12 3.50 0.30 2.90 0.05 -1.26 -4.59 135.00 131.77 1cif s PRO 30 Ca 0.44 1.12 -0.29 0.00 0.05 0.00 0.00 61.00 62.31 1cif s PRO 30 Cb -0.09 -2.06 -0.11 0.00 0.05 0.00 0.00 34.50 32.29 1cif s PRO 30 CO 0.30 -0.66 1.48 1.21 0.05 0.00 0.00 177.00 179.38 1cif s ASN 31 N -2.91 6.51 0.00 6.66 3.84 -1.26 -4.44 114.94 123.34 1cif s ASN 31 Ca 0.62 2.84 0.24 0.00 0.21 0.00 0.00 52.86 56.77 1cif s ASN 31 Cb -0.14 -2.64 0.48 0.00 -0.55 0.00 0.00 41.25 38.40 1cif s ASN 31 CO 0.36 -0.78 1.42 0.18 -2.79 0.00 0.00 177.10 175.49 1cif n LEU 32 N 1.72 2.76 -4.69 3.21 4.77 0.64 -4.96 117.00 120.45 1cif n LEU 32 Ca 0.05 -1.06 -0.44 0.00 -0.03 0.00 0.00 56.01 54.53 1cif n LEU 32 Cb 0.39 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 1cif n LEU 32 CO 0.62 0.53 1.11 1.57 -1.33 0.00 0.00 177.39 179.89 1cif n HIS 33 N 1.09 2.36 -1.31 -1.77 -0.00 -1.18 -1.50 115.22 112.91 1cif n HIS 33 Ca 0.17 0.35 -0.08 0.00 0.46 0.00 0.00 57.72 58.63 1cif n HIS 33 Cb 0.53 -2.51 -0.03 0.00 -0.12 0.00 0.00 29.99 27.86 1cif n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1cif n GLY 34 N 2.41 0.87 0.24 1.57 0.00 0.43 -4.95 105.19 105.76 1cif n GLY 34 Ca 0.12 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1cif n GLY 34 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1cif h ILE 35 N 0.00 1.22 -3.14 -0.61 6.09 -1.44 -3.40 117.51 116.23 1cif h ILE 35 Ca -0.16 -0.98 -0.54 0.00 -1.37 0.00 0.00 64.86 61.82 1cif h ILE 35 Cb 0.56 1.24 -0.00 0.00 0.47 0.00 0.00 36.82 39.08 1cif h ILE 35 CO 0.23 0.31 0.62 -0.36 -3.07 0.00 0.00 178.15 175.87 1cif s PHE 36 N -4.66 3.33 0.00 2.19 0.08 -1.26 -1.95 117.98 115.70 1cif s PHE 36 Ca -0.06 1.23 0.00 0.00 0.12 0.00 0.00 56.93 58.22 1cif s PHE 36 Cb 0.15 -3.45 0.00 0.00 -0.57 0.00 0.00 43.02 39.15 1cif s PHE 36 CO 0.76 -1.42 0.00 0.41 -0.10 0.00 0.00 175.22 174.87 1cif n GLY 37 N 3.30 1.25 3.92 4.36 0.00 0.35 -5.00 105.19 113.37 1cif n GLY 37 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1cif n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cif s ALA 38 N -2.45 3.39 0.08 4.61 0.00 -0.82 -4.70 121.76 121.87 1cif s ALA 38 Ca 0.00 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.20 1cif s ALA 38 Cb 0.00 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 1cif s ALA 38 CO 0.00 -0.73 0.11 -1.01 0.00 0.00 0.00 175.76 174.12 1cif s HIS 39 N -2.91 3.25 0.61 0.00 0.09 -1.25 0.14 115.29 115.23 1cif s HIS 39 Ca 0.53 0.11 -0.19 0.00 -0.00 0.00 0.00 55.06 55.51 1cif s HIS 39 Cb -0.10 -1.64 -0.04 0.00 -0.00 0.00 0.00 32.58 30.79 1cif s HIS 39 CO 0.44 0.53 1.05 -1.13 -0.00 0.00 0.00 174.74 175.64 1cif n SER 40 N 0.39 1.14 -2.32 1.40 3.41 0.11 -4.04 113.62 113.72 1cif n SER 40 Ca -0.08 0.82 -0.15 0.00 -0.26 0.00 0.00 58.87 59.20 1cif n SER 40 Cb 0.52 -1.43 0.04 0.00 -0.26 0.00 0.00 64.21 63.07 1cif n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cif n GLY 41 N 1.18 -0.01 0.00 5.00 0.00 -1.26 -4.69 105.19 105.41 1cif n GLY 41 Ca 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1cif n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1cif n GLN 42 N -3.19 1.92 -2.38 1.61 1.13 -1.26 -4.89 117.38 110.32 1cif n GLN 42 Ca -0.02 -1.16 -0.42 0.00 -1.94 0.00 0.00 57.00 53.46 1cif n GLN 42 Cb 0.55 -0.89 -0.03 0.00 0.11 0.00 0.00 30.24 29.98 1cif n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1cif s ALA 43 N -0.68 3.42 0.25 -1.58 0.00 -1.26 -4.98 121.76 116.94 1cif s ALA 43 Ca 0.00 0.90 -0.27 0.00 0.00 0.00 0.00 51.96 52.59 1cif s ALA 43 Cb 0.00 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 1cif s ALA 43 CO 0.00 -0.45 0.89 -1.83 0.00 0.00 0.00 175.76 174.37 1cif s GLU 44 N 0.91 4.66 0.00 0.00 -1.05 -1.26 -3.22 118.70 118.74 1cif s GLU 44 Ca 0.59 1.32 0.00 0.00 -0.15 0.00 0.00 54.97 56.73 1cif s GLU 44 Cb -0.31 -3.09 0.00 0.00 -0.44 0.00 0.00 34.13 30.30 1cif s GLU 44 CO 0.30 0.44 0.00 0.41 0.95 0.00 0.00 175.26 177.36 1cif n GLY 45 N 1.14 0.70 3.41 -3.83 0.00 -1.26 -5.06 105.19 100.29 1cif n GLY 45 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 1cif n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1cif s TYR 46 N -2.38 2.45 -1.04 1.61 6.14 -1.20 -5.05 117.35 117.88 1cif s TYR 46 Ca 0.00 -0.32 -0.13 0.00 0.64 0.00 0.00 57.07 57.26 1cif s TYR 46 Cb 0.00 -1.41 0.22 0.00 0.42 0.00 0.00 41.96 41.19 1cif s TYR 46 CO 0.00 0.23 1.11 0.45 0.64 0.00 0.00 175.55 177.98 1cif s SER 47 N -1.48 7.04 0.42 4.32 0.15 -1.26 -4.94 113.70 117.95 1cif s SER 47 Ca 0.14 -3.02 -0.23 0.00 0.70 0.00 0.00 55.95 53.54 1cif s SER 47 Cb -0.10 -2.28 -0.09 0.00 -1.71 0.00 0.00 66.02 61.83 1cif s SER 47 CO 0.05 -0.57 1.03 -0.31 1.20 0.00 0.00 173.24 174.63 1cif s TYR 48 N 0.32 3.23 1.09 3.44 2.02 -1.26 -5.05 117.35 121.13 1cif s TYR 48 Ca 0.31 1.63 -0.15 0.00 -0.37 0.00 0.00 57.07 58.49 1cif s TYR 48 Cb -0.08 -3.06 0.23 0.00 -0.40 0.00 0.00 41.96 38.65 1cif s TYR 48 CO -0.07 -0.57 1.09 0.95 -1.57 0.00 0.00 175.55 175.39 1cif s THR 49 N -1.81 1.87 0.15 -0.71 -4.23 -1.26 -4.93 115.64 104.72 1cif s THR 49 Ca 0.60 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 61.06 1cif s THR 49 Cb -0.19 -2.45 -0.13 0.00 1.34 0.00 0.00 72.50 71.08 1cif s THR 49 CO 0.23 0.00 1.38 0.44 -0.54 0.00 0.00 174.62 176.13 1cif h ASP 50 N -2.21 0.65 -0.33 3.99 3.32 -1.96 -3.22 116.42 116.66 1cif h ASP 50 Ca -0.53 -0.44 0.07 0.00 0.02 0.00 0.00 57.03 56.16 1cif h ASP 50 Cb 1.32 -0.19 -0.07 0.00 0.22 0.00 0.00 39.33 40.61 1cif h ASP 50 CO 0.50 1.20 -0.16 0.00 -1.72 0.00 0.00 179.24 179.07 1cif h ALA 51 N 0.78 0.10 0.06 3.45 0.00 -1.85 -2.34 119.26 119.47 1cif h ALA 51 Ca -0.04 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1cif h ALA 51 Cb 1.37 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 1cif h ALA 51 CO 0.14 -0.54 -0.18 -0.97 0.00 0.00 0.00 179.25 177.70 1cif h ASN 52 N -0.11 -0.53 -0.90 0.00 -0.73 -1.89 -2.29 115.58 109.14 1cif h ASN 52 Ca 0.17 0.05 0.21 0.00 1.87 0.00 0.00 56.30 58.61 1cif h ASN 52 Cb 0.36 0.19 -0.06 0.00 0.27 0.00 0.00 38.32 39.08 1cif h ASN 52 CO -0.40 -0.20 0.60 0.40 -0.37 0.00 0.00 177.43 177.46 1cif h ILE 53 N -0.27 0.66 0.00 2.57 2.04 -1.55 -2.30 117.51 118.65 1cif h ILE 53 Ca -0.01 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.74 1cif h ILE 53 Cb 0.26 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1cif h ILE 53 CO -0.08 0.06 -0.20 0.29 0.00 0.00 0.00 178.15 178.22 1cif n LYS 54 N -4.48 0.19 -0.02 2.37 5.02 -0.89 -3.34 118.16 117.02 1cif n LYS 54 Ca 0.19 0.12 -0.16 0.00 -2.02 0.00 0.00 58.31 56.45 1cif n LYS 54 Cb 0.74 -1.69 -0.05 0.00 -0.02 0.00 0.00 35.03 34.02 1cif n LYS 54 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1cif h LYS 55 N 0.00 0.74 -6.36 1.97 1.63 -0.84 -3.48 116.57 110.23 1cif h LYS 55 Ca 0.00 -0.58 -0.48 0.00 -0.85 0.00 0.00 60.65 58.74 1cif h LYS 55 Cb 0.67 0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 32.36 1cif h LYS 55 CO 0.00 1.19 -0.79 -1.71 -3.45 0.00 0.00 179.45 174.70 1cif n ASN 56 N -3.93 -3.81 -4.73 4.20 4.05 -1.21 -4.93 115.26 104.90 1cif n ASN 56 Ca -0.06 -0.83 -0.42 0.00 0.45 0.00 0.00 54.58 53.71 1cif n ASN 56 Cb 0.72 -3.68 -0.03 0.00 1.23 0.00 0.00 39.78 38.02 1cif n ASN 56 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1cif s VAL 57 N -3.39 2.15 -0.28 3.44 1.01 -1.26 -4.66 120.40 117.41 1cif s VAL 57 Ca 0.55 0.11 -0.17 0.00 0.00 0.00 0.00 61.98 62.46 1cif s VAL 57 Cb -0.28 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 1cif s VAL 57 CO 0.85 0.01 0.48 -0.22 0.00 0.00 0.00 175.10 176.22 1cif s LEU 58 N 0.85 4.10 -0.58 3.92 1.98 -1.26 0.07 118.68 127.76 1cif s LEU 58 Ca 0.72 0.36 -0.28 0.00 -2.89 0.00 0.00 54.13 52.04 1cif s LEU 58 Cb -0.48 -2.59 0.01 0.00 0.66 0.00 0.00 46.19 43.79 1cif s LEU 58 CO 0.35 -0.30 1.42 0.26 -1.89 0.00 0.00 176.35 176.18 1cif s TRP 59 N 2.27 2.26 0.42 5.38 0.23 0.38 -4.87 118.94 125.02 1cif s TRP 59 Ca 0.19 0.44 0.05 0.00 -2.03 0.00 0.00 56.10 54.75 1cif s TRP 59 Cb -0.16 -4.40 -0.06 0.00 0.03 0.00 0.00 33.47 28.88 1cif s TRP 59 CO 0.10 -1.99 0.02 0.16 0.96 0.00 0.00 176.95 176.20 1cif s ASP 60 N 4.50 3.71 0.51 2.95 1.47 -1.26 0.13 116.67 128.68 1cif s ASP 60 Ca 0.51 -1.45 0.30 0.00 1.18 0.00 0.00 52.55 53.09 1cif s ASP 60 Cb -0.11 -0.12 1.27 0.00 -0.34 0.00 0.00 42.92 43.63 1cif s ASP 60 CO 0.24 -0.58 1.96 1.05 0.68 0.00 0.00 175.17 178.52 1cif h GLU 61 N 1.72 0.00 0.00 2.11 4.11 -1.98 -2.76 114.58 117.78 1cif h GLU 61 Ca -0.43 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 58.92 1cif h GLU 61 Cb 1.26 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.52 1cif h GLU 61 CO 0.77 0.10 -0.30 -0.91 0.07 0.00 0.00 179.01 178.74 1cif h ASN 62 N 0.00 0.26 -0.14 3.06 2.35 -1.97 -3.23 115.58 115.91 1cif h ASN 62 Ca -0.00 -0.79 -0.00 0.00 -0.55 0.00 0.00 56.30 54.95 1cif h ASN 62 Cb 0.54 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 1cif h ASN 62 CO 0.01 1.02 0.07 0.78 -1.65 0.00 0.00 177.43 177.66 1cif h ASN 63 N -0.48 0.18 -0.61 5.81 2.35 -1.89 -3.12 115.58 117.83 1cif h ASN 63 Ca -0.04 -0.09 0.17 0.00 -0.55 0.00 0.00 56.30 55.79 1cif h ASN 63 Cb 1.07 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 39.37 1cif h ASN 63 CO 0.06 0.21 0.44 -0.03 -1.65 0.00 0.00 177.43 176.46 1cif h MET 64 N 0.12 0.03 0.01 0.81 4.05 -1.62 0.60 114.93 118.93 1cif h MET 64 Ca 0.05 -0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.44 1cif h MET 64 Cb 0.08 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 1cif h MET 64 CO -0.01 0.02 -0.11 1.03 0.23 0.00 0.00 176.91 178.07 1cif h SER 65 N 0.03 0.09 -0.56 1.39 0.87 -1.56 -0.90 113.55 112.91 1cif h SER 65 Ca 0.29 -0.84 -0.00 0.00 -1.23 0.00 0.00 61.79 60.00 1cif h SER 65 Cb 1.12 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 63.02 1cif h SER 65 CO -0.01 0.92 0.34 -0.33 -0.53 0.00 0.00 176.83 177.22 1cif h GLU 66 N -0.74 0.77 0.21 2.24 3.07 -1.43 -2.52 114.58 116.18 1cif h GLU 66 Ca -0.02 -0.07 0.01 0.00 -0.50 0.00 0.00 59.36 58.78 1cif h GLU 66 Cb 0.95 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 28.67 1cif h GLU 66 CO 0.02 0.55 -0.30 -0.92 -1.40 0.00 0.00 179.01 176.97 1cif h TYR 67 N 0.76 -0.81 0.00 4.33 3.20 -0.93 -2.56 116.97 120.96 1cif h TYR 67 Ca 0.20 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1cif h TYR 67 Cb -0.01 0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.59 1cif h TYR 67 CO -0.02 -0.42 0.00 1.28 -1.64 0.00 0.00 178.16 177.36 1cif n LEU 68 N -5.41 0.17 -0.05 2.82 4.77 -0.35 -1.37 117.00 117.58 1cif n LEU 68 Ca -0.08 0.57 -0.14 0.00 -0.03 0.00 0.00 56.01 56.34 1cif n LEU 68 Cb 0.32 -0.58 -0.07 0.00 -2.33 0.00 0.00 43.42 40.75 1cif n LEU 68 CO 0.26 -0.58 0.54 0.74 -1.33 0.00 0.00 177.39 177.02 1cif h THR 69 N 0.00 1.36 -0.63 -5.08 2.02 -1.03 0.24 112.91 109.79 1cif h THR 69 Ca 0.00 -1.46 -0.01 0.00 0.77 0.00 0.00 66.41 65.71 1cif h THR 69 Cb 0.05 1.97 -0.17 0.00 -1.74 0.00 0.00 68.15 68.26 1cif h THR 69 CO 0.00 0.43 -0.30 0.21 0.37 0.00 0.00 175.52 176.23 1cif s ASN 70 N -6.28 -0.94 0.00 4.18 3.84 -1.07 -3.62 114.94 111.05 1cif s ASN 70 Ca -0.14 -0.72 0.00 0.00 0.21 0.00 0.00 52.86 52.21 1cif s ASN 70 Cb 0.05 1.22 0.00 0.00 -0.55 0.00 0.00 41.25 41.97 1cif s ASN 70 CO 0.77 -0.08 0.00 -0.81 -2.79 0.00 0.00 177.10 174.19 1cif n PRO 71 N 3.57 0.00 0.00 0.43 -0.04 -0.47 -2.13 135.00 136.36 1cif n PRO 71 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1cif n PRO 71 Cb 0.60 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 1cif n PRO 71 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1cif n LYS 73 N 0.74 0.00 -0.02 0.54 3.00 -1.26 0.77 118.16 121.93 1cif n LYS 73 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.15 1cif n LYS 73 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 34.93 1cif n LYS 73 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1cif h TYR 74 N 0.00 0.63 -2.89 5.64 3.20 -1.77 -3.39 116.97 118.39 1cif h TYR 74 Ca 0.00 -0.30 -0.61 0.00 3.14 0.00 0.00 58.73 60.96 1cif h TYR 74 Cb 0.00 -0.09 -0.40 0.00 1.54 0.00 0.00 36.73 37.78 1cif h TYR 74 CO 0.00 1.09 -0.75 0.42 -1.64 0.00 0.00 178.16 177.28 1cif s ILE 75 N -3.48 1.49 0.04 1.81 1.01 0.23 -5.09 121.20 117.22 1cif s ILE 75 Ca -0.13 -2.91 -0.30 0.00 0.00 0.00 0.00 60.65 57.31 1cif s ILE 75 Cb 0.04 -2.02 -0.08 0.00 0.01 0.00 0.00 42.46 40.41 1cif s ILE 75 CO 0.82 -0.98 1.76 -2.84 0.00 0.00 0.00 174.94 173.70 1cif s PRO 76 N -0.06 4.17 0.00 2.79 0.02 -1.26 -0.23 135.00 140.43 1cif s PRO 76 Ca 0.22 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.65 1cif s PRO 76 Cb -0.15 -3.84 0.00 0.00 0.02 0.00 0.00 34.50 30.52 1cif s PRO 76 CO -0.07 -0.84 0.00 0.41 -0.33 0.00 0.00 177.00 176.18 1cif n GLY 77 N 4.21 0.34 3.63 0.52 0.00 -1.26 -4.75 105.19 107.88 1cif n GLY 77 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1cif n GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1cif n THR 78 N -1.92 3.08 1.14 2.61 5.66 0.68 -4.76 114.28 120.77 1cif n THR 78 Ca 0.00 -0.50 0.12 0.00 -3.05 0.00 0.00 64.05 60.62 1cif n THR 78 Cb 0.00 -1.25 0.35 0.00 -1.55 0.00 0.00 70.33 67.88 1cif n THR 78 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1cif n LYS 79 N -0.44 1.94 -2.18 1.09 2.85 -1.26 -4.87 118.16 115.29 1cif n LYS 79 Ca 0.11 -1.39 -0.43 0.00 -1.05 0.00 0.00 58.31 55.55 1cif n LYS 79 Cb 0.43 -1.46 -0.02 0.00 -0.65 0.00 0.00 35.03 33.33 1cif n LYS 79 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1cif s MET 80 N -1.87 3.84 -1.15 -1.58 1.75 -1.26 -4.94 119.30 114.09 1cif s MET 80 Ca 0.34 1.59 -0.09 0.00 -1.25 0.00 0.00 55.69 56.29 1cif s MET 80 Cb 0.20 -3.99 0.25 0.00 2.84 0.00 0.00 34.83 34.12 1cif s MET 80 CO 0.30 -1.23 1.41 0.00 -0.65 0.00 0.00 175.02 174.86 1cif n ALA 81 N 8.19 4.62 -3.11 4.11 0.00 -1.26 -4.94 120.51 128.11 1cif n ALA 81 Ca 0.18 -4.56 -0.15 0.00 0.00 0.00 0.00 53.44 48.90 1cif n ALA 81 Cb 0.45 -2.64 -0.15 0.00 0.00 0.00 0.00 19.45 17.12 1cif n ALA 81 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1cif s SER 82 N 0.67 0.42 0.27 0.00 0.15 -1.26 -5.05 113.70 108.91 1cif s SER 82 Ca 0.35 -0.05 0.13 0.00 0.70 0.00 0.00 55.95 57.08 1cif s SER 82 Cb -0.01 -0.12 0.24 0.00 -1.71 0.00 0.00 66.02 64.42 1cif s SER 82 CO 0.00 -0.01 1.52 1.23 1.20 0.00 0.00 173.24 177.19 1cif h GLY 83 N 6.47 0.00 0.00 9.45 0.00 -1.95 -3.42 103.07 113.62 1cif h GLY 83 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.01 1cif h GLY 83 CO 0.50 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.65 1cif n GLY 84 N 0.78 3.06 2.95 4.60 0.00 -1.26 -4.42 105.19 110.91 1cif n GLY 84 Ca 0.00 -1.93 -0.31 0.00 0.00 0.00 0.00 46.02 43.79 1cif n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cif s LEU 85 N 0.00 3.69 0.23 0.99 1.43 0.07 -4.98 118.68 120.10 1cif s LEU 85 Ca 0.00 -1.79 0.12 0.00 -1.03 0.00 0.00 54.13 51.43 1cif s LEU 85 Cb 0.00 -1.37 -0.00 0.00 0.03 0.00 0.00 46.19 44.84 1cif s LEU 85 CO 0.00 -0.34 1.40 0.11 0.23 0.00 0.00 176.35 177.75 1cif h LYS 86 N 7.79 0.00 -5.79 1.70 1.79 -1.85 -3.35 116.57 116.86 1cif h LYS 86 Ca -0.10 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.79 1cif h LYS 86 Cb 1.03 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.60 1cif h LYS 86 CO 0.48 0.68 -0.03 0.15 -1.08 0.00 0.00 179.45 179.66 1cif s LYS 87 N -2.91 4.34 0.38 3.15 1.02 -1.26 -4.97 119.74 119.49 1cif s LYS 87 Ca 0.03 0.59 0.05 0.00 0.02 0.00 0.00 55.97 56.66 1cif s LYS 87 Cb 0.09 -3.47 0.75 0.00 -0.52 0.00 0.00 37.83 34.68 1cif s LYS 87 CO 0.77 0.05 2.02 1.49 -0.92 0.00 0.00 175.35 178.76 1cif h GLU 88 N 6.90 0.64 -0.97 1.68 4.81 -2.00 -2.76 114.58 122.89 1cif h GLU 88 Ca -0.39 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1cif h GLU 88 Cb 1.18 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 30.37 1cif h GLU 88 CO 0.76 0.45 0.61 1.57 -0.73 0.00 0.00 179.01 181.67 1cif h LYS 89 N 0.66 1.29 -0.39 1.92 5.09 -1.98 0.90 116.57 124.06 1cif h LYS 89 Ca 0.18 -0.10 -0.09 0.00 0.09 0.00 0.00 60.65 60.72 1cif h LYS 89 Cb -0.04 -0.28 -0.01 0.00 0.10 0.00 0.00 32.23 32.00 1cif h LYS 89 CO -0.03 0.88 -0.12 -0.44 -2.09 0.00 0.00 179.45 177.64 1cif h ASP 90 N 1.32 0.78 -0.66 7.07 3.32 -1.91 0.19 116.42 126.54 1cif h ASP 90 Ca 0.35 -0.38 -0.09 0.00 0.02 0.00 0.00 57.03 56.94 1cif h ASP 90 Cb -0.10 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.21 1cif h ASP 90 CO -0.07 0.98 0.07 0.03 -1.72 0.00 0.00 179.24 178.53 1cif h ARG 91 N 0.57 1.11 0.30 3.56 3.08 -1.26 0.33 114.38 122.07 1cif h ARG 91 Ca 0.09 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.81 1cif h ARG 91 Cb 0.65 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1cif h ARG 91 CO 0.04 1.03 -0.14 -0.91 -1.07 0.00 0.00 179.97 178.93 1cif h ASN 92 N 1.03 -0.34 -0.23 7.04 2.35 0.11 -0.06 115.58 125.48 1cif h ASN 92 Ca 0.20 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.99 1cif h ASN 92 Cb 0.48 0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.90 1cif h ASN 92 CO 0.02 -0.23 -0.05 0.44 -1.65 0.00 0.00 177.43 175.96 1cif h ASP 93 N -0.41 -0.19 -0.19 5.81 3.32 -0.74 -2.01 116.42 122.01 1cif h ASP 93 Ca -0.04 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1cif h ASP 93 Cb 0.31 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1cif h ASP 93 CO 0.07 -0.07 0.10 0.25 -1.72 0.00 0.00 179.24 177.88 1cif h LEU 94 N 0.01 0.23 -1.72 1.55 5.85 0.05 -2.59 115.31 118.70 1cif h LEU 94 Ca 0.11 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1cif h LEU 94 Cb 0.16 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1cif h LEU 94 CO -0.22 0.25 0.02 0.40 -0.34 0.00 0.00 178.44 178.55 1cif h ILE 95 N 0.20 1.08 -0.56 4.05 2.04 -0.97 -0.74 117.51 122.62 1cif h ILE 95 Ca 0.07 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.61 1cif h ILE 95 Cb 0.07 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1cif h ILE 95 CO -0.01 0.10 0.23 0.74 0.00 0.00 0.00 178.15 179.21 1cif h THR 96 N 0.19 1.22 0.08 -0.27 2.02 -0.98 0.19 112.91 115.36 1cif h THR 96 Ca 0.05 -0.66 -0.00 0.00 0.77 0.00 0.00 66.41 66.57 1cif h THR 96 Cb 0.10 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1cif h THR 96 CO -0.00 0.26 -0.04 0.22 0.37 0.00 0.00 175.52 176.32 1cif h TYR 97 N 0.76 -0.10 -0.37 3.16 3.20 -1.13 -2.94 116.97 119.55 1cif h TYR 97 Ca 0.19 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.05 1cif h TYR 97 Cb 0.18 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 1cif h TYR 97 CO 0.00 0.16 0.23 -0.07 -1.64 0.00 0.00 178.16 176.85 1cif h LEU 98 N -0.37 0.44 -0.77 2.82 3.38 -1.00 -1.20 115.31 118.60 1cif h LEU 98 Ca -0.01 -0.04 0.17 0.00 0.09 0.00 0.00 57.88 58.09 1cif h LEU 98 Cb 0.31 -0.11 -0.11 0.00 0.09 0.00 0.00 40.66 40.84 1cif h LEU 98 CO 0.02 0.35 0.21 0.50 0.09 0.00 0.00 178.44 179.61 1cif h LYS 99 N 0.49 0.27 -0.01 1.13 3.11 -0.62 -1.48 116.57 119.46 1cif h LYS 99 Ca 0.13 -0.02 -0.04 0.00 -2.81 0.00 0.00 60.65 57.92 1cif h LYS 99 Cb -0.01 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.16 1cif h LYS 99 CO -0.03 0.18 -0.15 -0.22 -2.81 0.00 0.00 179.45 176.43 1cif h LYS 100 N 0.28 0.12 0.02 1.90 3.64 -1.27 -3.37 116.57 117.89 1cif h LYS 100 Ca 0.44 -0.11 -0.21 0.00 -1.27 0.00 0.00 60.65 59.50 1cif h LYS 100 Cb 0.78 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 1cif h LYS 100 CO -0.53 0.82 -0.99 0.00 -2.27 0.00 0.00 179.45 176.49 1cif h ALA 101 N 0.31 0.39 -0.25 5.00 0.00 -1.11 -3.30 119.26 120.30 1cif h ALA 101 Ca -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1cif h ALA 101 Cb 0.86 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1cif h ALA 101 CO 0.03 1.11 0.00 0.00 0.00 0.00 0.00 179.25 180.39 1cif n ALA 102 N -2.40 3.02 1.00 0.00 0.00 -0.57 -4.67 120.51 116.89 1cif n ALA 102 Ca -0.02 -0.77 0.12 0.00 0.00 0.00 0.00 53.44 52.77 1cif n ALA 102 Cb 0.90 -1.05 0.10 0.00 0.00 0.00 0.00 19.45 19.41 1cif n ALA 102 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59