#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ufl s LYS 2 N 0.00 1.93 -0.22 3.17 3.01 0.14 -3.01 119.74 124.75 1ufl s LYS 2 Ca 0.00 -1.92 0.01 0.00 -1.01 0.00 0.00 55.97 53.06 1ufl s LYS 2 Cb 0.00 -1.76 0.04 0.00 -1.01 0.00 0.00 37.83 35.09 1ufl s LYS 2 CO 0.00 0.09 -0.14 -1.17 0.51 0.00 0.00 175.35 174.64 1ufl s LEU 3 N -3.67 2.85 -0.30 3.17 2.96 -0.35 -1.25 118.68 122.10 1ufl s LEU 3 Ca 0.34 -1.01 -0.11 0.00 -0.22 0.00 0.00 54.13 53.14 1ufl s LEU 3 Cb 0.03 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 45.16 1ufl s LEU 3 CO 0.18 -0.10 0.18 -0.63 -1.32 0.00 0.00 176.35 174.65 1ufl s ILE 4 N 1.21 4.97 -0.30 6.68 1.01 0.32 -0.57 121.20 134.53 1ufl s ILE 4 Ca -0.02 -0.14 -0.06 0.00 0.00 0.00 0.00 60.65 60.43 1ufl s ILE 4 Cb -0.17 -3.46 0.02 0.00 0.01 0.00 0.00 42.46 38.86 1ufl s ILE 4 CO -0.08 0.14 0.07 -0.69 0.00 0.00 0.00 174.94 174.38 1ufl s VAL 5 N 1.69 3.84 -0.09 2.92 1.01 -0.77 -1.41 120.40 127.59 1ufl s VAL 5 Ca 0.06 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.28 1ufl s VAL 5 Cb -0.17 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 1ufl s VAL 5 CO 0.09 0.05 -0.21 0.00 0.00 0.00 0.00 175.10 175.02 1ufl s ALA 6 N 1.47 2.30 -0.27 5.51 0.00 -0.52 -0.32 121.76 129.93 1ufl s ALA 6 Ca 0.02 -0.97 -0.08 0.00 0.00 0.00 0.00 51.96 50.93 1ufl s ALA 6 Cb -0.17 -0.87 -0.02 0.00 0.00 0.00 0.00 23.12 22.06 1ufl s ALA 6 CO 0.02 0.33 0.09 0.42 0.00 0.00 0.00 175.76 176.62 1ufl s ILE 7 N 0.13 4.29 0.24 0.00 -1.09 0.73 -0.20 121.20 125.31 1ufl s ILE 7 Ca -0.11 -0.34 0.03 0.00 -2.23 0.00 0.00 60.65 58.00 1ufl s ILE 7 Cb -0.16 -3.09 -0.05 0.00 -1.58 0.00 0.00 42.46 37.58 1ufl s ILE 7 CO 0.06 0.23 0.02 0.68 -1.23 0.00 0.00 174.94 174.70 1ufl s VAL 8 N 1.59 0.96 0.39 2.92 -7.23 -0.25 -2.32 120.40 116.47 1ufl s VAL 8 Ca 0.05 -2.02 -0.25 0.00 -1.81 0.00 0.00 61.98 57.95 1ufl s VAL 8 Cb -0.16 -2.43 -0.09 0.00 0.56 0.00 0.00 36.38 34.26 1ufl s VAL 8 CO 0.04 -0.24 1.15 -0.13 -0.31 0.00 0.00 175.10 175.61 1ufl s ARG 9 N -3.90 4.10 0.12 4.82 0.52 -1.25 0.02 118.95 123.39 1ufl s ARG 9 Ca 0.31 1.80 -0.21 0.00 -0.52 0.00 0.00 55.73 57.10 1ufl s ARG 9 Cb 0.06 -2.69 -0.05 0.00 0.52 0.00 0.00 34.95 32.80 1ufl s ARG 9 CO 0.10 -0.27 1.70 -1.35 0.02 0.00 0.00 175.30 175.50 1ufl h PRO 10 N 2.68 -0.06 -0.35 3.54 0.11 -1.91 -1.79 132.00 134.22 1ufl h PRO 10 Ca -0.49 0.00 0.10 0.00 0.11 0.00 0.00 66.00 65.73 1ufl h PRO 10 Cb 1.23 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1ufl h PRO 10 CO 0.63 -0.04 0.31 1.05 -0.21 0.00 0.00 178.00 179.74 1ufl h GLU 11 N -0.06 0.00 -0.66 1.05 9.09 -1.94 -1.05 114.58 121.00 1ufl h GLU 11 Ca 0.08 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.49 1ufl h GLU 11 Cb 0.17 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.27 1ufl h GLU 11 CO -0.17 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.52 1ufl n LYS 12 N -4.04 3.07 0.38 1.06 4.76 -0.71 -4.66 118.16 118.01 1ufl n LYS 12 Ca 0.06 -2.68 -0.16 0.00 -2.87 0.00 0.00 58.31 52.65 1ufl n LYS 12 Cb 0.48 -1.65 -0.08 0.00 -1.84 0.00 0.00 35.03 31.94 1ufl n LYS 12 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1ufl h LEU 13 N 3.95 -0.95 -1.04 -0.35 5.85 -0.78 -2.96 115.31 119.05 1ufl h LEU 13 Ca 0.00 0.04 0.14 0.00 0.84 0.00 0.00 57.88 58.91 1ufl h LEU 13 Cb 1.12 0.26 -0.09 0.00 0.37 0.00 0.00 40.66 42.32 1ufl h LEU 13 CO 0.08 -0.62 0.62 0.78 -0.34 0.00 0.00 178.44 178.96 1ufl h ASN 14 N -1.01 0.86 -0.40 1.25 4.21 -1.83 -0.21 115.58 118.46 1ufl h ASN 14 Ca -0.10 0.06 -0.01 0.00 1.21 0.00 0.00 56.30 57.47 1ufl h ASN 14 Cb 0.79 -0.11 -0.02 0.00 -1.12 0.00 0.00 38.32 37.86 1ufl h ASN 14 CO 0.13 0.41 0.24 -0.33 -1.29 0.00 0.00 177.43 176.59 1ufl h GLU 15 N 0.90 0.57 0.00 0.81 5.08 -1.86 0.16 114.58 120.25 1ufl h GLU 15 Ca 0.52 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.82 1ufl h GLU 15 Cb 0.64 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1ufl h GLU 15 CO -0.29 0.42 -0.04 0.28 -1.00 0.00 0.00 179.01 178.38 1ufl h VAL 16 N 0.58 1.66 -0.93 3.13 2.07 -0.98 -2.10 116.25 119.69 1ufl h VAL 16 Ca 0.15 -1.98 0.23 0.00 0.82 0.00 0.00 66.70 65.92 1ufl h VAL 16 Cb 0.01 3.00 -0.06 0.00 -1.52 0.00 0.00 31.29 32.72 1ufl h VAL 16 CO -0.03 0.52 0.63 -0.07 0.02 0.00 0.00 177.57 178.64 1ufl h LEU 17 N -0.80 0.27 0.11 2.57 3.38 -0.75 0.58 115.31 120.66 1ufl h LEU 17 Ca -0.00 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1ufl h LEU 17 Cb 0.87 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1ufl h LEU 17 CO 0.01 0.09 -0.05 0.11 0.09 0.00 0.00 178.44 178.69 1ufl h LYS 18 N 0.26 -0.14 -0.15 1.13 1.57 -0.93 -1.64 116.57 116.66 1ufl h LYS 18 Ca 0.48 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.26 1ufl h LYS 18 Cb 1.42 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.75 1ufl h LYS 18 CO -0.13 0.23 0.07 0.00 -0.57 0.00 0.00 179.45 179.05 1ufl h ALA 19 N 0.27 1.83 0.05 3.86 0.00 0.11 -1.33 119.26 124.05 1ufl h ALA 19 Ca -0.02 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.60 1ufl h ALA 19 Cb 0.44 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ufl h ALA 19 CO 0.02 0.14 -1.06 -0.07 0.00 0.00 0.00 179.25 178.29 1ufl h LEU 20 N 0.21 0.63 -0.76 0.00 3.38 -0.02 -0.99 115.31 117.76 1ufl h LEU 20 Ca 0.06 -0.54 0.04 0.00 0.09 0.00 0.00 57.88 57.52 1ufl h LEU 20 Cb 0.04 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 1ufl h LEU 20 CO -0.01 1.36 0.47 0.15 0.09 0.00 0.00 178.44 180.50 1ufl h PHE 21 N 0.23 0.88 -0.01 1.13 3.57 -0.30 -1.27 116.94 121.17 1ufl h PHE 21 Ca -0.12 0.02 -0.16 0.00 3.53 0.00 0.00 57.97 61.25 1ufl h PHE 21 Cb 1.72 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 40.16 1ufl h PHE 21 CO 0.08 0.48 -0.72 1.96 -2.23 0.00 0.00 178.31 177.88 1ufl h GLN 22 N 0.90 0.10 0.00 1.11 4.20 -1.23 -2.66 115.11 117.53 1ufl h GLN 22 Ca 0.31 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.94 1ufl h GLN 22 Cb 0.06 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1ufl h GLN 22 CO -0.13 0.78 0.00 0.00 -0.67 0.00 0.00 178.83 178.81 1ufl n ALA 23 N -2.43 2.03 -1.66 3.87 0.00 -0.38 -4.81 120.51 117.13 1ufl n ALA 23 Ca -0.02 -0.08 -0.05 0.00 0.00 0.00 0.00 53.44 53.29 1ufl n ALA 23 Cb 0.70 -1.20 -0.01 0.00 0.00 0.00 0.00 19.45 18.93 1ufl n ALA 23 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ufl n GLU 24 N -0.93 -0.40 -2.66 0.00 1.02 -1.00 -4.93 120.64 111.73 1ufl n GLU 24 Ca 0.09 0.46 -0.41 0.00 -0.02 0.00 0.00 57.16 57.29 1ufl n GLU 24 Cb 0.04 -4.23 -0.05 0.00 -0.02 0.00 0.00 31.44 27.19 1ufl n GLU 24 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1ufl s VAL 25 N -2.23 4.19 -0.00 2.62 1.01 -0.61 -4.90 120.40 120.48 1ufl s VAL 25 Ca 0.00 1.93 0.00 0.00 0.00 0.00 0.00 61.98 63.91 1ufl s VAL 25 Cb 0.00 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.15 1ufl s VAL 25 CO 0.00 0.35 0.80 0.54 0.00 0.00 0.00 175.10 176.78 1ufl n ARG 26 N 2.32 1.76 -3.64 2.72 3.00 -1.26 -4.61 116.66 116.96 1ufl n ARG 26 Ca 0.01 -1.09 -0.07 0.00 -0.01 0.00 0.00 57.85 56.70 1ufl n ARG 26 Cb 0.48 -0.80 -0.07 0.00 0.00 0.00 0.00 32.46 32.07 1ufl n ARG 26 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1ufl s GLY 27 N -0.59 -0.64 -0.12 -0.13 0.00 -1.26 -4.89 107.32 99.69 1ufl s GLY 27 Ca 0.00 2.39 -0.30 0.00 0.00 0.00 0.00 44.72 46.81 1ufl s GLY 27 CO 0.00 2.45 1.01 0.48 0.00 0.00 0.00 173.10 177.04 1ufl s LEU 28 N 1.76 -0.32 0.18 0.66 0.05 -1.26 -4.36 118.68 115.39 1ufl s LEU 28 Ca -0.10 0.19 0.10 0.00 0.05 0.00 0.00 54.13 54.37 1ufl s LEU 28 Cb -0.06 1.81 -0.04 0.00 -2.05 0.00 0.00 46.19 45.85 1ufl s LEU 28 CO -0.20 -0.40 -0.20 0.42 -0.55 0.00 0.00 176.35 175.42 1ufl s THR 29 N -1.97 2.04 0.02 5.48 -4.23 -0.89 -4.96 115.64 111.12 1ufl s THR 29 Ca 0.03 -1.99 -0.07 0.00 -1.18 0.00 0.00 61.69 58.48 1ufl s THR 29 Cb -0.01 -1.97 -0.00 0.00 1.34 0.00 0.00 72.50 71.86 1ufl s THR 29 CO -0.03 -0.25 0.12 -1.48 -0.54 0.00 0.00 174.62 172.44 1ufl s LEU 30 N -2.72 1.64 0.15 4.79 0.05 -1.26 -0.80 118.68 120.53 1ufl s LEU 30 Ca 0.18 -0.32 -0.19 0.00 0.05 0.00 0.00 54.13 53.85 1ufl s LEU 30 Cb -0.06 0.65 0.05 0.00 -2.05 0.00 0.00 46.19 44.77 1ufl s LEU 30 CO 0.08 -0.42 0.49 -0.94 -0.55 0.00 0.00 176.35 175.01 1ufl s SER 31 N -1.64 -0.35 0.01 1.48 1.04 -0.76 -5.00 113.70 108.48 1ufl s SER 31 Ca -0.12 -0.24 -0.18 0.00 0.48 0.00 0.00 55.95 55.90 1ufl s SER 31 Cb -0.06 0.54 -0.06 0.00 0.10 0.00 0.00 66.02 66.54 1ufl s SER 31 CO -0.01 -0.93 0.52 -0.13 0.98 0.00 0.00 173.24 173.67 1ufl s ARG 32 N -3.80 4.17 0.28 4.02 1.81 -1.26 -0.26 118.95 123.90 1ufl s ARG 32 Ca 0.03 0.61 0.03 0.00 -1.72 0.00 0.00 55.73 54.69 1ufl s ARG 32 Cb 0.00 -3.28 -0.04 0.00 -0.45 0.00 0.00 34.95 31.19 1ufl s ARG 32 CO -0.11 0.54 0.20 0.14 -0.68 0.00 0.00 175.30 175.39 1ufl s VAL 33 N -0.69 0.08 -0.18 3.52 -7.23 0.01 -4.89 120.40 111.02 1ufl s VAL 33 Ca 0.28 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.45 1ufl s VAL 33 Cb -0.18 -2.50 0.04 0.00 0.56 0.00 0.00 36.38 34.30 1ufl s VAL 33 CO 0.16 0.00 -0.10 -1.10 -0.31 0.00 0.00 175.10 173.75 1ufl s GLN 34 N -3.79 1.92 1.00 4.82 -0.21 -1.26 -1.49 119.66 120.65 1ufl s GLN 34 Ca 0.39 -0.71 -0.15 0.00 0.02 0.00 0.00 55.36 54.91 1ufl s GLN 34 Cb 0.05 -2.25 0.19 0.00 1.00 0.00 0.00 33.01 31.99 1ufl s GLN 34 CO 0.20 -0.40 1.18 0.20 -2.12 0.00 0.00 175.29 174.35 1ufl s GLY 35 N 1.47 1.64 0.23 3.09 0.00 -0.11 -4.73 107.32 108.91 1ufl s GLY 35 Ca 0.00 -0.83 -0.20 0.00 0.00 0.00 0.00 44.72 43.70 1ufl s GLY 35 CO -0.08 -0.13 0.62 -1.58 0.00 0.00 0.00 173.10 171.93 1ufl s HIS 36 N -3.39 -0.20 -0.08 1.90 2.46 -1.26 -2.19 115.29 112.53 1ufl s HIS 36 Ca 0.68 -0.17 -0.01 0.00 0.47 0.00 0.00 55.06 56.04 1ufl s HIS 36 Cb -0.10 0.54 0.00 0.00 -0.13 0.00 0.00 32.58 32.89 1ufl s HIS 36 CO 0.54 -1.04 0.02 -1.91 -2.47 0.00 0.00 174.74 169.87 1ufl n GLU 54 N -0.40 -1.48 -3.34 2.88 4.07 -1.26 -5.08 120.64 116.03 1ufl n GLU 54 Ca -0.08 1.50 -0.32 0.00 -0.06 0.00 0.00 57.16 58.20 1ufl n GLU 54 Cb 0.61 -2.25 -0.05 0.00 -0.06 0.00 0.00 31.44 29.69 1ufl n GLU 54 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1ufl s LEU 55 N -0.96 4.14 0.05 4.31 2.01 -1.26 -5.10 118.68 121.86 1ufl s LEU 55 Ca -0.02 0.99 0.03 0.00 0.01 0.00 0.00 54.13 55.14 1ufl s LEU 55 Cb 0.00 -3.77 -0.03 0.00 0.01 0.00 0.00 46.19 42.41 1ufl s LEU 55 CO 0.24 -0.11 -0.09 -1.00 1.01 0.00 0.00 176.35 176.40 1ufl s HIS 56 N -1.87 0.77 -0.03 0.29 3.76 -0.93 -4.96 115.29 112.32 1ufl s HIS 56 Ca 0.49 -0.54 -0.30 0.00 -0.15 0.00 0.00 55.06 54.56 1ufl s HIS 56 Cb -0.11 -0.45 -0.03 0.00 1.11 0.00 0.00 32.58 33.10 1ufl s HIS 56 CO 0.21 -0.07 1.06 -2.00 -0.85 0.00 0.00 174.74 173.09 1ufl s GLU 57 N -1.83 4.46 0.03 1.40 2.56 -1.26 -0.93 118.70 123.13 1ufl s GLU 57 Ca -0.07 1.51 -0.11 0.00 0.00 0.00 0.00 54.97 56.30 1ufl s GLU 57 Cb -0.08 -3.49 0.01 0.00 2.00 0.00 0.00 34.13 32.57 1ufl s GLU 57 CO 0.00 -0.24 0.24 0.15 -0.56 0.00 0.00 175.26 174.86 1ufl s LYS 58 N 1.55 0.72 -0.19 4.30 -0.14 -0.55 -4.35 119.74 121.08 1ufl s LYS 58 Ca 0.53 -0.54 -0.06 0.00 -1.36 0.00 0.00 55.97 54.54 1ufl s LYS 58 Cb -0.22 0.31 -0.03 0.00 -1.68 0.00 0.00 37.83 36.20 1ufl s LYS 58 CO 0.24 -0.22 0.03 0.08 -0.76 0.00 0.00 175.35 174.72 1ufl s VAL 59 N -2.40 4.32 -0.33 3.17 1.01 0.10 -0.81 120.40 125.46 1ufl s VAL 59 Ca -0.06 -0.19 -0.12 0.00 0.00 0.00 0.00 61.98 61.61 1ufl s VAL 59 Cb -0.02 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.41 1ufl s VAL 59 CO -0.03 0.44 0.21 -0.60 0.00 0.00 0.00 175.10 175.12 1ufl s ARG 60 N 0.69 3.38 0.03 2.72 3.52 0.64 -1.09 118.95 128.85 1ufl s ARG 60 Ca 0.01 -0.71 -0.00 0.00 -0.13 0.00 0.00 55.73 54.90 1ufl s ARG 60 Cb -0.14 -3.72 -0.04 0.00 -1.56 0.00 0.00 34.95 29.49 1ufl s ARG 60 CO 0.02 -0.46 0.14 -0.51 -0.81 0.00 0.00 175.30 173.68 1ufl s LEU 61 N 1.67 4.13 -0.27 -0.88 1.43 0.72 -1.83 118.68 123.65 1ufl s LEU 61 Ca 0.05 0.20 -0.04 0.00 -1.03 0.00 0.00 54.13 53.32 1ufl s LEU 61 Cb -0.17 -2.59 0.10 0.00 0.03 0.00 0.00 46.19 43.56 1ufl s LEU 61 CO 0.09 0.22 0.15 -0.70 0.23 0.00 0.00 176.35 176.34 1ufl s GLU 62 N -2.13 0.18 -0.14 1.70 2.12 0.02 -1.43 118.70 119.03 1ufl s GLU 62 Ca 0.29 -0.38 -0.01 0.00 0.36 0.00 0.00 54.97 55.23 1ufl s GLU 62 Cb -0.12 -1.22 -0.01 0.00 0.26 0.00 0.00 34.13 33.03 1ufl s GLU 62 CO 0.21 -0.95 -0.12 0.42 -0.54 0.00 0.00 175.26 174.28 1ufl s ILE 63 N 2.15 3.10 -0.27 -3.70 1.09 -0.50 -2.10 121.20 120.97 1ufl s ILE 63 Ca 0.08 -0.64 -0.14 0.00 -1.10 0.00 0.00 60.65 58.85 1ufl s ILE 63 Cb -0.16 -2.31 -0.04 0.00 -1.06 0.00 0.00 42.46 38.89 1ufl s ILE 63 CO -0.31 0.52 0.32 -0.83 -0.10 0.00 0.00 174.94 174.54 1ufl s GLY 64 N 0.46 1.89 0.06 6.18 0.00 -1.26 -0.52 107.32 114.13 1ufl s GLY 64 Ca -0.09 -0.89 0.04 0.00 0.00 0.00 0.00 44.72 43.78 1ufl s GLY 64 CO 0.04 0.89 -0.13 -1.34 0.00 0.00 0.00 173.10 172.57 1ufl s VAL 65 N 1.98 0.98 0.36 1.40 -7.23 -0.38 -4.95 120.40 112.56 1ufl s VAL 65 Ca 0.13 -1.22 -0.15 0.00 -1.81 0.00 0.00 61.98 58.93 1ufl s VAL 65 Cb -0.16 -0.96 -0.09 0.00 0.56 0.00 0.00 36.38 35.73 1ufl s VAL 65 CO 0.10 -0.23 0.77 -0.94 -0.31 0.00 0.00 175.10 174.49 1ufl s SER 66 N -1.63 6.75 0.08 4.85 1.04 -1.26 0.26 113.70 123.79 1ufl s SER 66 Ca -0.03 1.31 -0.07 0.00 0.48 0.00 0.00 55.95 57.64 1ufl s SER 66 Cb -0.10 -2.39 0.07 0.00 0.10 0.00 0.00 66.02 63.71 1ufl s SER 66 CO 0.02 -0.27 0.58 -0.62 0.98 0.00 0.00 173.24 173.93 1ufl n GLU 67 N -0.59 -0.10 -0.22 4.02 -0.58 -1.26 -0.38 120.64 121.52 1ufl n GLU 67 Ca 0.04 0.58 0.19 0.00 -0.42 0.00 0.00 57.16 57.54 1ufl n GLU 67 Cb 0.53 -0.86 0.52 0.00 -0.57 0.00 0.00 31.44 31.06 1ufl n GLU 67 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1ufl h PRO 68 N 0.00 0.39 -0.01 3.49 0.11 -2.05 -2.66 132.00 131.26 1ufl h PRO 68 Ca 0.12 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1ufl h PRO 68 Cb 0.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.24 1ufl h PRO 68 CO -0.37 0.26 -0.46 1.19 -0.21 0.00 0.00 178.00 178.40 1ufl n PHE 69 N -4.50 0.00 0.37 0.65 3.01 0.48 -4.57 117.46 112.91 1ufl n PHE 69 Ca 0.18 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.50 1ufl n PHE 69 Cb 0.67 -0.02 -0.07 0.00 -0.01 0.00 0.00 39.48 40.05 1ufl n PHE 69 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1ufl h VAL 70 N 2.14 0.00 -0.68 -4.37 2.07 -1.37 -0.80 116.25 113.24 1ufl h VAL 70 Ca 0.00 -0.01 0.15 0.00 0.82 0.00 0.00 66.70 67.65 1ufl h VAL 70 Cb 0.71 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.36 1ufl h VAL 70 CO 0.00 0.00 0.02 0.50 0.02 0.00 0.00 177.57 178.11 1ufl h LYS 71 N -0.96 0.12 -0.03 1.57 1.63 -1.81 -0.50 116.57 116.59 1ufl h LYS 71 Ca -0.10 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.65 1ufl h LYS 71 Cb 0.73 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.32 1ufl h LYS 71 CO 0.16 0.08 -0.22 -1.35 -3.45 0.00 0.00 179.45 174.67 1ufl h PRO 72 N 0.13 0.05 0.11 1.90 0.11 -1.79 -2.83 132.00 129.69 1ufl h PRO 72 Ca 0.36 -0.01 -0.27 0.00 0.11 0.00 0.00 66.00 66.19 1ufl h PRO 72 Cb 0.61 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.72 1ufl h PRO 72 CO -0.57 0.27 -1.20 1.15 -0.21 0.00 0.00 178.00 177.43 1ufl h THR 73 N 0.05 1.46 -0.26 -1.15 2.02 0.40 -2.54 112.91 112.90 1ufl h THR 73 Ca 0.01 -2.91 -0.10 0.00 0.77 0.00 0.00 66.41 64.17 1ufl h THR 73 Cb 0.42 2.85 -0.01 0.00 -1.74 0.00 0.00 68.15 69.67 1ufl h THR 73 CO 0.03 0.86 -0.28 0.58 0.37 0.00 0.00 175.52 177.08 1ufl h VAL 74 N 0.11 1.27 -0.22 3.16 2.07 -1.24 -2.37 116.25 119.04 1ufl h VAL 74 Ca -0.13 -1.33 -0.05 0.00 0.82 0.00 0.00 66.70 66.01 1ufl h VAL 74 Cb 1.91 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 33.06 1ufl h VAL 74 CO 0.20 0.42 -0.05 -0.33 0.02 0.00 0.00 177.57 177.84 1ufl h GLU 75 N 0.44 0.42 -0.44 1.57 5.08 -1.52 -0.90 114.58 119.24 1ufl h GLU 75 Ca 0.06 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1ufl h GLU 75 Cb 0.72 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1ufl h GLU 75 CO 0.05 0.66 0.27 0.00 -1.00 0.00 0.00 179.01 178.99 1ufl h ALA 76 N 0.75 1.65 0.03 3.43 0.00 -1.32 -0.60 119.26 123.19 1ufl h ALA 76 Ca 0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ufl h ALA 76 Cb 0.50 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1ufl h ALA 76 CO 0.02 0.31 -0.01 0.82 0.00 0.00 0.00 179.25 180.39 1ufl h ILE 77 N 0.60 1.40 -0.31 0.00 2.04 -1.32 -2.47 117.51 117.44 1ufl h ILE 77 Ca 0.16 -1.67 0.07 0.00 1.00 0.00 0.00 64.86 64.42 1ufl h ILE 77 Cb -0.03 2.47 -0.07 0.00 -0.74 0.00 0.00 36.82 38.45 1ufl h ILE 77 CO -0.03 0.41 -0.18 -0.07 0.00 0.00 0.00 178.15 178.28 1ufl h LEU 78 N -0.81 -0.60 0.38 1.44 3.38 -0.93 0.55 115.31 118.73 1ufl h LEU 78 Ca -0.00 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1ufl h LEU 78 Cb 0.70 0.31 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1ufl h LEU 78 CO 0.01 -0.21 -0.32 0.50 0.09 0.00 0.00 178.44 178.50 1ufl h LYS 79 N -0.14 -0.68 -0.02 1.13 3.64 -1.22 -2.61 116.57 116.67 1ufl h LYS 79 Ca 0.16 0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 1ufl h LYS 79 Cb 0.39 0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1ufl h LYS 79 CO -0.40 -0.45 -0.07 0.00 -2.27 0.00 0.00 179.45 176.26 1ufl h ALA 80 N -0.21 1.86 -0.00 5.00 0.00 -0.87 -3.27 119.26 121.77 1ufl h ALA 80 Ca -0.03 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ufl h ALA 80 Cb 0.62 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1ufl h ALA 80 CO -0.02 0.11 -0.82 0.00 0.00 0.00 0.00 179.25 178.51 1ufl n ALA 81 N -2.52 4.35 -2.52 0.00 0.00 0.19 -4.66 120.51 115.34 1ufl n ALA 81 Ca -0.03 -0.59 -0.42 0.00 0.00 0.00 0.00 53.44 52.41 1ufl n ALA 81 Cb 0.16 -0.74 -0.04 0.00 0.00 0.00 0.00 19.45 18.83 1ufl n ALA 81 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1ufl s ARG 82 N -2.77 4.60 0.00 0.00 3.52 -0.99 -4.86 118.95 118.44 1ufl s ARG 82 Ca 0.10 1.46 0.00 0.00 -0.13 0.00 0.00 55.73 57.16 1ufl s ARG 82 Cb 0.16 -3.42 0.00 0.00 -1.56 0.00 0.00 34.95 30.13 1ufl s ARG 82 CO 0.76 0.03 0.00 0.25 -0.81 0.00 0.00 175.30 175.53 1ufl n THR 83 N 3.46 0.00 0.00 4.11 -2.24 -1.26 -5.04 114.28 113.32 1ufl n THR 83 Ca 0.05 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1ufl n THR 83 Cb 0.50 0.67 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 1ufl n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ufl n GLY 84 N 1.22 3.10 3.67 3.38 0.00 -1.26 -5.07 105.19 110.23 1ufl n GLY 84 Ca 0.00 -0.94 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 1ufl n GLY 84 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ufl s GLU 85 N 0.00 0.41 0.40 1.61 2.02 -1.26 -4.99 118.70 116.88 1ufl s GLU 85 Ca 0.00 0.52 -0.25 0.00 0.02 0.00 0.00 54.97 55.26 1ufl s GLU 85 Cb 0.00 -1.73 -0.08 0.00 0.10 0.00 0.00 34.13 32.41 1ufl s GLU 85 CO 0.00 -2.75 1.19 0.14 0.02 0.00 0.00 175.26 173.86 1ufl s VAL 86 N -2.96 3.06 0.00 2.63 -7.23 -1.26 -3.78 120.40 110.86 1ufl s VAL 86 Ca 0.65 0.90 0.00 0.00 -1.81 0.00 0.00 61.98 61.73 1ufl s VAL 86 Cb -0.19 -3.51 0.00 0.00 0.56 0.00 0.00 36.38 33.24 1ufl s VAL 86 CO 0.58 0.09 0.00 0.61 -0.31 0.00 0.00 175.10 176.07 1ufl n GLY 87 N 0.65 0.89 0.22 2.32 0.00 -1.26 -4.95 105.19 103.06 1ufl n GLY 87 Ca 0.04 -0.46 0.08 0.00 0.00 0.00 0.00 46.02 45.68 1ufl n GLY 87 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1ufl h ASP 88 N 0.00 0.00 -5.00 1.61 3.32 -1.91 -3.43 116.42 111.01 1ufl h ASP 88 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1ufl h ASP 88 Cb 0.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1ufl h ASP 88 CO 0.00 0.25 0.00 0.61 -1.72 0.00 0.00 179.24 178.38 1ufl n GLY 89 N -0.25 -0.76 3.17 2.75 0.00 -1.26 -3.93 105.19 104.90 1ufl n GLY 89 Ca -0.01 -2.22 -0.10 0.00 0.00 0.00 0.00 46.02 43.69 1ufl n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ufl s LYS 90 N -0.25 0.88 -0.09 1.61 1.02 -0.98 -4.96 119.74 116.97 1ufl s LYS 90 Ca 0.00 -1.39 0.02 0.00 0.02 0.00 0.00 55.97 54.62 1ufl s LYS 90 Cb 0.00 -0.01 0.01 0.00 -0.52 0.00 0.00 37.83 37.31 1ufl s LYS 90 CO 0.00 -0.13 -0.14 0.42 -0.92 0.00 0.00 175.35 174.58 1ufl s ILE 91 N -3.81 1.35 0.15 2.17 1.01 -1.26 -0.19 121.20 120.61 1ufl s ILE 91 Ca 0.17 -0.57 0.08 0.00 0.00 0.00 0.00 60.65 60.34 1ufl s ILE 91 Cb 0.07 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.26 1ufl s ILE 91 CO -0.02 0.41 -0.09 -0.36 0.00 0.00 0.00 174.94 174.88 1ufl s PHE 92 N 0.91 2.69 -0.11 3.97 0.40 0.56 -4.99 117.98 121.41 1ufl s PHE 92 Ca -0.09 -0.19 0.01 0.00 -0.60 0.00 0.00 56.93 56.06 1ufl s PHE 92 Cb -0.15 -1.36 0.02 0.00 0.51 0.00 0.00 43.02 42.04 1ufl s PHE 92 CO 0.00 0.47 -0.11 0.08 0.70 0.00 0.00 175.22 176.37 1ufl s VAL 93 N -1.48 1.19 0.19 -0.44 1.01 -1.26 -1.84 120.40 117.78 1ufl s VAL 93 Ca 0.23 -0.43 0.11 0.00 0.00 0.00 0.00 61.98 61.89 1ufl s VAL 93 Cb -0.10 -1.15 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 1ufl s VAL 93 CO 0.15 0.39 -0.22 -0.76 0.00 0.00 0.00 175.10 174.65 1ufl s LEU 94 N 1.33 2.45 0.27 3.92 1.43 0.26 -4.96 118.68 123.39 1ufl s LEU 94 Ca -0.01 -0.88 -0.30 0.00 -1.03 0.00 0.00 54.13 51.91 1ufl s LEU 94 Cb -0.14 -1.06 -0.09 0.00 0.03 0.00 0.00 46.19 44.93 1ufl s LEU 94 CO -0.05 0.07 1.07 -2.84 0.23 0.00 0.00 176.35 174.83 1ufl s PRO 95 N -2.80 4.68 -0.08 1.29 0.02 -1.26 -1.21 135.00 135.64 1ufl s PRO 95 Ca 0.20 1.75 0.05 0.00 0.02 0.00 0.00 61.00 63.02 1ufl s PRO 95 Cb -0.07 -3.21 -0.00 0.00 0.02 0.00 0.00 34.50 31.24 1ufl s PRO 95 CO 0.09 0.26 -0.24 0.08 -0.33 0.00 0.00 177.00 176.86 1ufl s VAL 96 N -1.13 1.99 -0.06 3.83 1.01 -1.17 -4.77 120.40 120.11 1ufl s VAL 96 Ca 0.44 -1.01 -0.23 0.00 0.00 0.00 0.00 61.98 61.18 1ufl s VAL 96 Cb -0.31 -1.71 -0.18 0.00 0.00 0.00 0.00 36.38 34.18 1ufl s VAL 96 CO 0.39 0.55 0.92 -0.08 0.00 0.00 0.00 175.10 176.88 1ufl h GLU 97 N 6.38 -0.12 -3.39 2.72 4.57 -1.96 -3.44 114.58 119.35 1ufl h GLU 97 Ca -0.26 0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 57.86 1ufl h GLU 97 Cb 1.20 0.03 -0.14 0.00 -0.16 0.00 0.00 28.75 29.68 1ufl h GLU 97 CO 0.47 0.42 -0.14 0.15 -1.18 0.00 0.00 179.01 178.73 1ufl s LYS 98 N -3.34 0.98 -0.06 1.92 3.01 -1.26 -5.00 119.74 115.99 1ufl s LYS 98 Ca -0.14 -0.67 0.02 0.00 -1.01 0.00 0.00 55.97 54.17 1ufl s LYS 98 Cb 0.00 0.43 0.01 0.00 -1.01 0.00 0.00 37.83 37.26 1ufl s LYS 98 CO 0.55 -0.36 -0.11 0.08 0.51 0.00 0.00 175.35 176.02 1ufl s VAL 99 N -3.46 1.02 -0.13 3.17 1.01 -1.26 -4.98 120.40 115.77 1ufl s VAL 99 Ca 0.01 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 61.58 1ufl s VAL 99 Cb 0.02 -0.94 0.02 0.00 0.00 0.00 0.00 36.38 35.48 1ufl s VAL 99 CO -0.09 0.33 -0.15 -0.31 0.00 0.00 0.00 175.10 174.87 1ufl s TYR 100 N 0.63 2.08 -0.17 5.22 1.51 -1.26 0.80 117.35 126.15 1ufl s TYR 100 Ca -0.13 -1.07 -0.29 0.00 -1.01 0.00 0.00 57.07 54.57 1ufl s TYR 100 Cb -0.15 -1.51 -0.00 0.00 -0.11 0.00 0.00 41.96 40.19 1ufl s TYR 100 CO 0.03 -0.57 1.04 0.50 -1.11 0.00 0.00 175.55 175.44 1ufl s ARG 101 N 1.22 4.32 0.11 -0.62 6.06 -0.88 -4.92 118.95 124.24 1ufl s ARG 101 Ca -0.01 1.39 -0.17 0.00 -2.50 0.00 0.00 55.73 54.44 1ufl s ARG 101 Cb -0.14 -3.60 -0.04 0.00 0.06 0.00 0.00 34.95 31.22 1ufl s ARG 101 CO -0.06 -0.51 1.59 0.82 -2.50 0.00 0.00 175.30 174.65 1ufl h ILE 102 N 5.30 1.23 -0.79 4.11 2.04 -1.94 0.63 117.51 128.10 1ufl h ILE 102 Ca -0.24 -0.79 0.18 0.00 1.00 0.00 0.00 64.86 65.01 1ufl h ILE 102 Cb 1.10 1.12 -0.12 0.00 -0.74 0.00 0.00 36.82 38.18 1ufl h ILE 102 CO 0.93 0.26 0.22 -0.09 0.00 0.00 0.00 178.15 179.47 1ufl h ARG 103 N 0.37 0.27 0.00 2.37 2.43 -1.99 -3.21 114.38 114.62 1ufl h ARG 103 Ca 0.10 -0.02 -0.28 0.00 -0.81 0.00 0.00 59.98 58.97 1ufl h ARG 103 Cb 0.33 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.76 1ufl h ARG 103 CO 0.00 0.18 -2.05 2.41 -1.51 0.00 0.00 179.97 179.00 1ufl n THR 104 N -5.15 1.05 -0.13 0.20 -1.04 -1.21 -5.01 114.28 103.00 1ufl n THR 104 Ca 0.17 -0.57 0.00 0.00 -2.04 0.00 0.00 64.05 61.60 1ufl n THR 104 Cb 0.52 -0.78 0.00 0.00 -1.82 0.00 0.00 70.33 68.25 1ufl n THR 104 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ufl n GLY 105 N 2.23 0.88 3.77 3.41 0.00 0.22 -5.04 105.19 110.66 1ufl n GLY 105 Ca -0.27 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 1ufl n GLY 105 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1ufl s GLU 106 N -0.66 4.13 0.44 1.61 -1.05 -1.24 -4.72 118.70 117.21 1ufl s GLU 106 Ca 0.00 1.91 -0.12 0.00 -0.15 0.00 0.00 54.97 56.61 1ufl s GLU 106 Cb 0.00 -2.78 -0.07 0.00 -0.44 0.00 0.00 34.13 30.85 1ufl s GLU 106 CO 0.00 -0.27 0.83 -2.00 0.95 0.00 0.00 175.26 174.77 1ufl s GLU 107 N -2.16 3.82 0.00 -4.83 2.12 -1.26 -2.07 118.70 114.32 1ufl s GLU 107 Ca 0.55 0.60 0.00 0.00 0.36 0.00 0.00 54.97 56.48 1ufl s GLU 107 Cb -0.33 -2.32 0.00 0.00 0.26 0.00 0.00 34.13 31.75 1ufl s GLU 107 CO 0.41 -0.11 0.00 -0.25 -0.54 0.00 0.00 175.26 174.77 1ufl n ASP 108 N -1.41 0.00 -0.25 -1.70 8.00 0.24 -1.46 116.55 119.97 1ufl n ASP 108 Ca 0.04 0.00 0.25 0.00 0.71 0.00 0.00 54.79 55.79 1ufl n ASP 108 Cb 0.54 0.00 0.61 0.00 -0.02 0.00 0.00 41.12 42.25 1ufl n ASP 108 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1ufl h GLU 109 N 0.00 0.21 0.00 -1.24 3.07 -1.90 1.98 114.58 116.70 1ufl h GLU 109 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1ufl h GLU 109 Cb 0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1ufl h GLU 109 CO 0.00 0.14 0.00 0.00 -1.40 0.00 0.00 179.01 177.75 1ufl n ALA 110 N -2.60 1.90 -1.41 3.43 0.00 -0.53 -2.50 120.51 118.79 1ufl n ALA 110 Ca 0.21 0.05 -0.13 0.00 0.00 0.00 0.00 53.44 53.57 1ufl n ALA 110 Cb 0.90 -1.42 0.18 0.00 0.00 0.00 0.00 19.45 19.11 1ufl n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ufl n ALA 111 N -1.79 4.89 -3.68 0.00 0.00 0.67 -4.86 120.51 115.74 1ufl n ALA 111 Ca 0.03 -3.12 -0.10 0.00 0.00 0.00 0.00 53.44 50.25 1ufl n ALA 111 Cb 0.31 -1.01 -0.11 0.00 0.00 0.00 0.00 19.45 18.64 1ufl n ALA 111 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1ufl s VAL 112 N -3.41 -0.24 0.00 0.00 1.01 -1.04 -4.68 120.40 112.04 1ufl s VAL 112 Ca 0.50 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.62 1ufl s VAL 112 Cb 0.44 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 36.23 1ufl s VAL 112 CO 0.03 0.06 0.00 0.41 0.00 0.00 0.00 175.10 175.60