#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 1.45 -0.20 3.17 -0.14 -0.14 -2.21 119.74 121.68 1ufl s LYS 2 Ca 0.00 -1.58 -0.02 0.00 -1.36 0.00 0.00 55.97 53.01 1ufl s LYS 2 Cb 0.00 -1.51 -0.00 0.00 -1.68 0.00 0.00 37.83 34.64 1ufl s LYS 2 CO 0.00 0.29 -0.10 -1.17 -0.76 0.00 0.00 175.35 173.61 1ufl s LEU 3 N -3.06 2.64 -0.15 3.17 2.96 -0.31 -0.08 118.68 123.85 1ufl s LEU 3 Ca 0.22 -0.46 -0.08 0.00 -0.22 0.00 0.00 54.13 53.60 1ufl s LEU 3 Cb -0.05 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 1ufl s LEU 3 CO 0.10 0.01 0.13 -0.63 -1.32 0.00 0.00 176.35 174.63 1ufl s ILE 4 N 1.28 5.39 -0.16 6.68 1.01 0.22 -0.59 121.20 135.03 1ufl s ILE 4 Ca 0.03 0.17 -0.01 0.00 0.00 0.00 0.00 60.65 60.85 1ufl s ILE 4 Cb -0.14 -3.39 0.04 0.00 0.01 0.00 0.00 42.46 38.98 1ufl s ILE 4 CO -0.05 0.55 -0.05 -0.69 0.00 0.00 0.00 174.94 174.70 1ufl s VAL 5 N -0.48 1.06 -0.04 2.92 1.01 -0.53 -1.80 120.40 122.54 1ufl s VAL 5 Ca 0.12 -0.60 0.04 0.00 0.00 0.00 0.00 61.98 61.54 1ufl s VAL 5 Cb -0.12 -1.25 -0.00 0.00 0.00 0.00 0.00 36.38 35.01 1ufl s VAL 5 CO 0.02 0.12 -0.16 0.00 0.00 0.00 0.00 175.10 175.08 1ufl s ALA 6 N 1.65 1.43 -0.29 5.51 0.00 -0.66 -1.05 121.76 128.37 1ufl s ALA 6 Ca 0.01 -0.64 -0.09 0.00 0.00 0.00 0.00 51.96 51.24 1ufl s ALA 6 Cb -0.15 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 1ufl s ALA 6 CO -0.08 0.26 0.12 0.42 0.00 0.00 0.00 175.76 176.49 1ufl s ILE 7 N 0.04 4.48 0.06 0.00 1.09 -0.30 -0.29 121.20 126.29 1ufl s ILE 7 Ca -0.03 -0.33 0.05 0.00 -1.10 0.00 0.00 60.65 59.24 1ufl s ILE 7 Cb -0.11 -3.22 -0.03 0.00 -1.06 0.00 0.00 42.46 38.05 1ufl s ILE 7 CO 0.02 0.17 -0.13 0.68 -0.10 0.00 0.00 174.94 175.57 1ufl s VAL 8 N 1.61 1.05 0.63 2.92 -7.23 -0.38 -1.99 120.40 117.01 1ufl s VAL 8 Ca 0.05 -1.25 -0.17 0.00 -1.81 0.00 0.00 61.98 58.80 1ufl s VAL 8 Cb -0.16 -1.01 -0.07 0.00 0.56 0.00 0.00 36.38 35.70 1ufl s VAL 8 CO 0.05 -0.22 0.55 0.54 -0.31 0.00 0.00 175.10 175.72 1ufl n ARG 9 N 1.37 0.47 -0.03 4.82 1.74 -1.25 -1.83 116.66 121.94 1ufl n ARG 9 Ca -0.21 0.19 -0.10 0.00 -0.77 0.00 0.00 57.85 56.96 1ufl n ARG 9 Cb 0.54 -1.78 0.04 0.00 -1.02 0.00 0.00 32.46 30.25 1ufl n ARG 9 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1ufl h PRO 10 N 0.05 0.65 0.00 5.56 0.11 -1.91 -2.95 132.00 133.51 1ufl h PRO 10 Ca -0.46 -0.38 0.00 0.00 0.11 0.00 0.00 66.00 65.27 1ufl h PRO 10 Cb 1.38 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.52 1ufl h PRO 10 CO 0.46 1.00 0.00 1.05 -0.21 0.00 0.00 178.00 180.29 1ufl h GLU 11 N 0.52 0.00 -0.27 1.05 9.09 -1.95 -1.87 114.58 121.14 1ufl h GLU 11 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.43 1ufl h GLU 11 Cb 1.04 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.14 1ufl h GLU 11 CO 0.10 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.79 1ufl n LYS 12 N -3.04 2.08 0.06 1.06 4.76 -1.12 -4.57 118.16 117.39 1ufl n LYS 12 Ca 0.00 -1.63 -0.13 0.00 -2.87 0.00 0.00 58.31 53.68 1ufl n LYS 12 Cb 0.27 -1.44 -0.08 0.00 -1.84 0.00 0.00 35.03 31.93 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 3.23 -0.10 -0.73 -0.35 5.85 -1.28 -2.52 115.31 119.41 1ufl h LEU 13 Ca 0.00 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.56 1ufl h LEU 13 Cb 0.71 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 1ufl h LEU 13 CO 0.00 0.11 0.49 0.78 -0.34 0.00 0.00 178.44 179.47 1ufl h ASN 14 N -0.30 0.84 -0.44 1.25 4.21 -1.81 0.10 115.58 119.43 1ufl h ASN 14 Ca -0.01 -0.02 0.12 0.00 1.21 0.00 0.00 56.30 57.59 1ufl h ASN 14 Cb 0.25 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 37.22 1ufl h ASN 14 CO 0.02 0.61 0.31 -0.08 -1.29 0.00 0.00 177.43 177.00 1ufl h GLU 15 N 0.99 0.07 0.05 0.81 4.81 -1.83 0.25 114.58 119.73 1ufl h GLU 15 Ca 0.27 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.42 1ufl h GLU 15 Cb -0.12 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.26 1ufl h GLU 15 CO -0.06 0.05 -0.31 0.28 -0.73 0.00 0.00 179.01 178.24 1ufl h VAL 16 N 0.07 1.67 -0.61 0.32 2.07 -0.63 -2.83 116.25 116.32 1ufl h VAL 16 Ca 0.21 -2.36 -0.03 0.00 0.82 0.00 0.00 66.70 65.35 1ufl h VAL 16 Cb 0.74 3.25 -0.03 0.00 -1.52 0.00 0.00 31.29 33.73 1ufl h VAL 16 CO -0.02 0.64 0.27 -0.07 0.02 0.00 0.00 177.57 178.41 1ufl h LEU 17 N -0.72 0.78 -0.28 2.57 3.38 0.01 0.19 115.31 121.24 1ufl h LEU 17 Ca -0.05 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1ufl h LEU 17 Cb 1.22 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.76 1ufl h LEU 17 CO 0.06 0.68 0.18 0.11 0.09 0.00 0.00 178.44 179.56 1ufl h LYS 18 N 0.86 0.37 -0.86 1.13 1.79 -0.64 -0.24 116.57 118.98 1ufl h LYS 18 Ca 0.21 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.63 1ufl h LYS 18 Cb 0.12 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.65 1ufl h LYS 18 CO -0.02 0.26 0.46 0.00 -1.08 0.00 0.00 179.45 179.06 1ufl h ALA 19 N 1.09 1.11 -0.02 3.86 0.00 -1.13 -2.37 119.26 121.78 1ufl h ALA 19 Ca 0.10 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1ufl h ALA 19 Cb -0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 1ufl h ALA 19 CO -0.02 0.63 -0.46 -0.07 0.00 0.00 0.00 179.25 179.33 1ufl h LEU 20 N 1.21 0.06 -0.35 0.00 3.38 -0.05 -1.90 115.31 117.65 1ufl h LEU 20 Ca 0.30 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 58.09 1ufl h LEU 20 Cb 0.05 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1ufl h LEU 20 CO -0.05 0.51 -0.37 0.15 0.09 0.00 0.00 178.44 178.77 1ufl h PHE 21 N 0.04 1.05 -0.28 1.13 3.04 -0.75 -1.03 116.94 120.14 1ufl h PHE 21 Ca -0.00 -0.32 -0.05 0.00 3.98 0.00 0.00 57.97 61.57 1ufl h PHE 21 Cb 0.83 -0.22 -0.02 0.00 2.56 0.00 0.00 35.95 39.11 1ufl h PHE 21 CO 0.00 1.13 -0.06 1.96 -2.02 0.00 0.00 178.31 179.33 1ufl h GLN 22 N 0.67 0.45 0.00 1.11 1.08 -1.22 -1.77 115.11 115.43 1ufl h GLN 22 Ca 0.05 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1ufl h GLN 22 Cb 0.97 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 1ufl h GLN 22 CO 0.09 0.52 0.00 0.00 -0.95 0.00 0.00 178.83 178.50 1ufl n ALA 23 N -2.48 2.27 -2.16 3.87 0.00 -0.74 -4.89 120.51 116.38 1ufl n ALA 23 Ca 0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 53.44 53.28 1ufl n ALA 23 Cb 0.27 -1.42 -0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.33 -0.55 -3.37 0.00 1.02 -0.66 -4.99 120.64 110.76 1ufl n GLU 24 Ca 0.11 0.23 -0.40 0.00 -0.02 0.00 0.00 57.16 57.09 1ufl n GLU 24 Cb 0.22 -3.94 -0.03 0.00 -0.02 0.00 0.00 31.44 27.68 1ufl n GLU 24 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1ufl n VAL 25 N -3.91 4.02 -3.36 2.62 0.31 -0.41 -5.03 118.33 112.56 1ufl n VAL 25 Ca -0.05 -5.41 -0.38 0.00 -0.01 0.00 0.00 64.34 58.48 1ufl n VAL 25 Cb 0.54 -2.35 -0.07 0.00 -0.91 0.00 0.00 33.84 31.05 1ufl n VAL 25 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1ufl s ARG 26 N -1.80 4.16 0.00 5.55 3.00 -1.26 -4.61 118.95 123.98 1ufl s ARG 26 Ca 0.31 0.22 0.00 0.00 0.00 0.00 0.00 55.73 56.26 1ufl s ARG 26 Cb -0.03 -3.55 0.00 0.00 0.00 0.00 0.00 34.95 31.37 1ufl s ARG 26 CO -0.05 -0.08 0.00 0.41 0.00 0.00 0.00 175.30 175.58 1ufl n GLY 27 N 3.99 1.47 3.82 -3.53 0.00 -1.26 -5.12 105.19 104.56 1ufl n GLY 27 Ca -0.08 -0.73 -0.06 0.00 0.00 0.00 0.00 46.02 45.16 1ufl n GLY 27 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1ufl s LEU 28 N 0.00 -0.20 0.27 0.99 0.05 -1.26 -4.49 118.68 114.04 1ufl s LEU 28 Ca 0.00 -0.56 0.07 0.00 0.05 0.00 0.00 54.13 53.69 1ufl s LEU 28 Cb 0.00 2.49 -0.06 0.00 -2.05 0.00 0.00 46.19 46.57 1ufl s LEU 28 CO 0.00 -1.18 -0.07 0.42 -0.55 0.00 0.00 176.35 174.97 1ufl s THR 29 N -3.52 1.69 0.22 5.48 -4.23 -1.26 -4.98 115.64 109.05 1ufl s THR 29 Ca 0.12 -2.14 -0.16 0.00 -1.18 0.00 0.00 61.69 58.33 1ufl s THR 29 Cb -0.04 -2.42 0.01 0.00 1.34 0.00 0.00 72.50 71.40 1ufl s THR 29 CO 0.05 -0.33 0.52 -1.48 -0.54 0.00 0.00 174.62 172.85 1ufl s LEU 30 N -3.44 0.18 -0.17 4.79 0.05 -1.26 -1.08 118.68 117.75 1ufl s LEU 30 Ca 0.29 -0.69 -0.35 0.00 0.05 0.00 0.00 54.13 53.43 1ufl s LEU 30 Cb 0.03 2.02 0.14 0.00 -2.05 0.00 0.00 46.19 46.33 1ufl s LEU 30 CO 0.12 -1.12 1.28 -0.94 -0.55 0.00 0.00 176.35 175.14 1ufl s SER 31 N -2.94 -0.08 0.22 1.48 1.04 -1.06 -4.99 113.70 107.37 1ufl s SER 31 Ca 0.15 -0.03 -0.09 0.00 0.48 0.00 0.00 55.95 56.46 1ufl s SER 31 Cb -0.01 0.11 -0.07 0.00 0.10 0.00 0.00 66.02 66.14 1ufl s SER 31 CO 0.03 -0.18 0.54 0.00 0.98 0.00 0.00 173.24 174.61 1ufl s ARG 32 N -2.30 3.79 0.08 4.02 1.70 -1.26 -0.58 118.95 124.40 1ufl s ARG 32 Ca 0.11 0.25 0.01 0.00 -0.47 0.00 0.00 55.73 55.63 1ufl s ARG 32 Cb 0.01 -2.66 -0.00 0.00 -0.57 0.00 0.00 34.95 31.72 1ufl s ARG 32 CO -0.04 0.33 0.08 1.33 -1.08 0.00 0.00 175.30 175.92 1ufl n VAL 33 N -0.11 0.00 -4.12 4.99 0.24 -0.01 -4.87 118.33 114.45 1ufl n VAL 33 Ca 0.00 -0.51 -0.27 0.00 -2.04 0.00 0.00 64.34 61.53 1ufl n VAL 33 Cb 0.52 0.27 -0.17 0.00 -1.47 0.00 0.00 33.84 32.99 1ufl n VAL 33 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1ufl s GLN 34 N -2.27 1.69 0.33 7.34 -0.21 -1.26 -1.55 119.66 123.73 1ufl s GLN 34 Ca 0.08 -0.34 0.09 0.00 0.02 0.00 0.00 55.36 55.21 1ufl s GLN 34 Cb 0.00 -1.61 -0.05 0.00 1.00 0.00 0.00 33.01 32.35 1ufl s GLN 34 CO 0.06 -0.18 -0.01 0.20 -2.12 0.00 0.00 175.29 173.24 1ufl s GLY 35 N 1.38 2.05 -0.04 3.09 0.00 0.59 -4.78 107.32 109.62 1ufl s GLY 35 Ca -0.01 -1.95 0.05 0.00 0.00 0.00 0.00 44.72 42.81 1ufl s GLY 35 CO -0.05 -1.91 -0.20 -1.58 0.00 0.00 0.00 173.10 169.37 1ufl s HIS 36 N -2.52 1.88 0.07 1.90 2.46 -1.26 -0.19 115.29 117.62 1ufl s HIS 36 Ca 0.34 -0.48 0.00 0.00 0.47 0.00 0.00 55.06 55.39 1ufl s HIS 36 Cb -0.00 -1.24 0.00 0.00 -0.13 0.00 0.00 32.58 31.21 1ufl s HIS 36 CO 0.19 -0.13 0.00 0.41 -2.47 0.00 0.00 174.74 172.74 1ufl n GLY 37 N 2.91 -0.02 3.38 1.59 0.00 -1.26 -4.97 105.19 106.82 1ufl n GLY 37 Ca -0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.66 1ufl n GLY 37 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ufl s GLY 38 N -3.67 1.59 0.15 -0.02 0.00 -1.26 -4.96 107.32 99.15 1ufl s GLY 38 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 42.96 1ufl s GLY 38 CO 0.00 -1.78 0.01 -1.84 0.00 0.00 0.00 173.10 169.50 1ufl n GLU 39 N -0.46 1.37 -3.60 2.90 0.00 -1.26 -3.68 120.64 115.90 1ufl n GLU 39 Ca -0.07 -1.14 -0.01 0.00 0.00 0.00 0.00 57.16 55.95 1ufl n GLU 39 Cb 0.62 0.40 -0.04 0.00 0.00 0.00 0.00 31.44 32.42 1ufl n GLU 39 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.13 177.05 1ufl s THR 40 N -1.72 -1.00 -0.04 3.84 -1.32 -1.05 -5.00 115.64 109.36 1ufl s THR 40 Ca 0.02 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.20 1ufl s THR 40 Cb 0.00 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.95 1ufl s THR 40 CO 0.01 0.00 1.34 -0.70 -2.21 0.00 0.00 174.62 173.07 1ufl s GLU 41 N 2.89 4.29 -0.25 7.08 2.12 -1.26 -1.78 118.70 131.80 1ufl s GLU 41 Ca -0.04 1.86 -0.01 0.00 0.36 0.00 0.00 54.97 57.15 1ufl s GLU 41 Cb -0.12 -3.61 0.03 0.00 0.26 0.00 0.00 34.13 30.69 1ufl s GLU 41 CO -0.19 -0.57 -0.07 1.03 -0.54 0.00 0.00 175.26 174.92 1ufl s ARG 42 N 2.55 2.76 -0.07 4.30 1.81 0.13 -4.96 118.95 125.47 1ufl s ARG 42 Ca 0.61 -1.02 -0.14 0.00 -1.72 0.00 0.00 55.73 53.46 1ufl s ARG 42 Cb -0.29 -2.95 -0.05 0.00 -0.45 0.00 0.00 34.95 31.21 1ufl s ARG 42 CO 0.24 -0.41 0.35 0.14 -0.68 0.00 0.00 175.30 174.94 1ufl s VAL 43 N 1.29 5.18 0.35 3.52 -7.23 -1.26 0.11 120.40 122.36 1ufl s VAL 43 Ca -0.01 0.70 0.04 0.00 -1.81 0.00 0.00 61.98 60.89 1ufl s VAL 43 Cb -0.17 -3.66 -0.01 0.00 0.56 0.00 0.00 36.38 33.09 1ufl s VAL 43 CO -0.05 0.51 0.38 -1.61 -0.31 0.00 0.00 175.10 174.01 1ufl s GLU 44 N -0.47 1.87 -0.08 4.82 2.02 -0.90 -4.81 118.70 121.14 1ufl s GLU 44 Ca 0.21 -1.93 -0.09 0.00 0.02 0.00 0.00 54.97 53.18 1ufl s GLU 44 Cb -0.15 0.38 -0.06 0.00 0.10 0.00 0.00 34.13 34.40 1ufl s GLU 44 CO 0.09 -0.73 0.33 1.79 0.02 0.00 0.00 175.26 176.76 1ufl h THR 45 N 2.10 0.26 -3.52 3.63 1.35 -1.99 -2.98 112.91 111.77 1ufl h THR 45 Ca -0.26 -1.04 -0.52 0.00 -0.55 0.00 0.00 66.41 64.04 1ufl h THR 45 Cb 1.23 0.47 -0.01 0.00 -1.73 0.00 0.00 68.15 68.11 1ufl h THR 45 CO 0.37 0.08 0.40 -0.72 -0.25 0.00 0.00 175.52 175.40 1ufl s TYR 46 N -2.27 3.72 -1.47 4.73 -0.85 -1.26 -3.60 117.35 116.35 1ufl s TYR 46 Ca -0.05 1.71 -0.16 0.00 -0.52 0.00 0.00 57.07 58.05 1ufl s TYR 46 Cb -0.00 -3.13 0.16 0.00 0.38 0.00 0.00 41.96 39.37 1ufl s TYR 46 CO 0.18 -0.10 0.40 -2.13 -1.52 0.00 0.00 175.55 172.38 1ufl n ARG 47 N 2.94 -0.80 0.00 -3.49 3.00 -1.26 -4.76 116.66 112.29 1ufl n ARG 47 Ca 0.03 0.11 0.00 0.00 -0.00 0.00 0.00 57.85 57.99 1ufl n ARG 47 Cb 0.49 -3.63 0.00 0.00 0.00 0.00 0.00 32.46 29.32 1ufl n ARG 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ufl n GLY 48 N -1.17 0.00 3.70 5.14 0.00 -1.13 -4.61 105.19 107.13 1ufl n GLY 48 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 1ufl n GLY 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ufl n THR 49 N 0.00 0.50 -3.75 2.61 -1.04 -1.24 -2.12 114.28 109.24 1ufl n THR 49 Ca 0.00 -0.13 -0.12 0.00 -2.04 0.00 0.00 64.05 61.76 1ufl n THR 49 Cb 0.00 -1.70 -0.12 0.00 -1.82 0.00 0.00 70.33 66.69 1ufl n THR 49 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1ufl s THR 50 N 0.47 -0.02 -0.38 12.58 -1.32 0.31 -4.95 115.64 122.34 1ufl s THR 50 Ca 0.72 0.07 -0.21 0.00 -1.21 0.00 0.00 61.69 61.05 1ufl s THR 50 Cb -0.60 -0.41 0.01 0.00 -1.51 0.00 0.00 72.50 70.00 1ufl s THR 50 CO 0.43 0.03 0.66 -0.69 -2.21 0.00 0.00 174.62 172.83 1ufl s VAL 51 N 0.69 4.85 -0.31 5.08 1.01 -1.26 -0.69 120.40 129.77 1ufl s VAL 51 Ca -0.04 0.50 -0.29 0.00 0.00 0.00 0.00 61.98 62.15 1ufl s VAL 51 Cb -0.06 -4.13 0.02 0.00 0.00 0.00 0.00 36.38 32.21 1ufl s VAL 51 CO -0.04 -0.41 1.05 -0.54 0.00 0.00 0.00 175.10 175.16 1ufl s LYS 52 N 2.80 4.08 -0.32 2.72 1.02 -0.73 -4.95 119.74 124.36 1ufl s LYS 52 Ca 0.25 1.07 -0.09 0.00 0.02 0.00 0.00 55.97 57.22 1ufl s LYS 52 Cb -0.14 -3.72 0.01 0.00 -0.52 0.00 0.00 37.83 33.45 1ufl s LYS 52 CO 0.16 -0.86 0.14 1.41 -0.92 0.00 0.00 175.35 175.29 1ufl s MET 53 N 3.55 3.14 -0.04 1.68 -2.45 -1.26 -2.52 119.30 121.40 1ufl s MET 53 Ca 0.44 -0.85 -0.16 0.00 -1.25 0.00 0.00 55.69 53.88 1ufl s MET 53 Cb -0.13 -3.53 -0.05 0.00 1.25 0.00 0.00 34.83 32.37 1ufl s MET 53 CO 0.14 -0.49 0.42 -1.21 1.05 0.00 0.00 175.02 174.94 1ufl s GLU 54 N 1.56 4.07 -0.09 4.11 2.02 -1.24 -5.08 118.70 124.05 1ufl s GLU 54 Ca 0.03 0.41 0.01 0.00 0.02 0.00 0.00 54.97 55.44 1ufl s GLU 54 Cb -0.18 -3.30 -0.02 0.00 0.10 0.00 0.00 34.13 30.74 1ufl s GLU 54 CO 0.05 0.51 -0.11 -0.51 0.02 0.00 0.00 175.26 175.21 1ufl s LEU 55 N -0.50 2.86 0.11 1.80 1.43 -1.26 -4.28 118.68 118.85 1ufl s LEU 55 Ca 0.24 -0.19 0.07 0.00 -1.03 0.00 0.00 54.13 53.22 1ufl s LEU 55 Cb -0.16 -1.62 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 1ufl s LEU 55 CO 0.12 0.28 -0.18 -1.00 0.23 0.00 0.00 176.35 175.80 1ufl s HIS 56 N -0.33 1.62 0.16 0.29 3.76 0.73 -4.87 115.29 116.65 1ufl s HIS 56 Ca 0.04 -0.46 -0.32 0.00 -0.15 0.00 0.00 55.06 54.18 1ufl s HIS 56 Cb -0.13 -0.87 -0.11 0.00 1.11 0.00 0.00 32.58 32.58 1ufl s HIS 56 CO 0.02 0.19 1.72 -2.00 -0.85 0.00 0.00 174.74 173.83 1ufl s GLU 57 N -2.14 4.15 0.17 1.40 2.56 -1.26 -0.30 118.70 123.28 1ufl s GLU 57 Ca 0.07 2.54 -0.06 0.00 0.00 0.00 0.00 54.97 57.52 1ufl s GLU 57 Cb -0.09 -3.28 -0.02 0.00 2.00 0.00 0.00 34.13 32.74 1ufl s GLU 57 CO 0.04 -0.76 0.21 0.15 -0.56 0.00 0.00 175.26 174.35 1ufl s LYS 58 N 1.76 1.14 -0.12 4.30 3.01 -0.60 -4.42 119.74 124.80 1ufl s LYS 58 Ca 0.76 -1.33 0.02 0.00 -1.01 0.00 0.00 55.97 54.41 1ufl s LYS 58 Cb -0.47 0.33 -0.00 0.00 -1.01 0.00 0.00 37.83 36.68 1ufl s LYS 58 CO 0.33 -0.39 -0.20 0.08 0.51 0.00 0.00 175.35 175.68 1ufl s VAL 59 N -4.03 2.37 -0.33 3.17 1.01 -0.76 -0.83 120.40 120.99 1ufl s VAL 59 Ca 0.23 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 1ufl s VAL 59 Cb 0.05 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 1ufl s VAL 59 CO 0.03 0.54 0.22 -0.60 0.00 0.00 0.00 175.10 175.30 1ufl s ARG 60 N 0.54 3.47 -0.00 2.72 3.52 0.26 -1.25 118.95 128.20 1ufl s ARG 60 Ca -0.12 -0.65 -0.02 0.00 -0.13 0.00 0.00 55.73 54.80 1ufl s ARG 60 Cb -0.17 -3.75 -0.04 0.00 -1.56 0.00 0.00 34.95 29.43 1ufl s ARG 60 CO 0.04 -0.43 0.17 -0.51 -0.81 0.00 0.00 175.30 173.76 1ufl s LEU 61 N 1.70 4.31 -0.48 -0.88 1.02 0.60 -2.56 118.68 122.39 1ufl s LEU 61 Ca 0.06 0.31 0.07 0.00 0.02 0.00 0.00 54.13 54.60 1ufl s LEU 61 Cb -0.17 -2.60 0.26 0.00 0.02 0.00 0.00 46.19 43.70 1ufl s LEU 61 CO 0.10 0.26 0.62 1.21 0.02 0.00 0.00 176.35 178.55 1ufl n GLU 62 N 0.92 1.44 -2.75 1.70 2.13 -0.24 -1.65 120.64 122.19 1ufl n GLU 62 Ca -0.11 -3.79 -0.38 0.00 0.66 0.00 0.00 57.16 53.55 1ufl n GLU 62 Cb 0.52 -1.63 -0.06 0.00 0.27 0.00 0.00 31.44 30.54 1ufl n GLU 62 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1ufl s ILE 63 N -1.78 4.13 -0.23 6.31 1.09 -0.75 -4.04 121.20 125.93 1ufl s ILE 63 Ca 0.37 1.85 -0.09 0.00 -1.10 0.00 0.00 60.65 61.69 1ufl s ILE 63 Cb 0.17 -4.06 -0.04 0.00 -1.06 0.00 0.00 42.46 37.47 1ufl s ILE 63 CO -0.07 0.22 0.11 -0.83 -0.10 0.00 0.00 174.94 174.27 1ufl s GLY 64 N -1.49 1.90 0.01 6.18 0.00 -1.26 0.72 107.32 113.37 1ufl s GLY 64 Ca 0.48 -0.93 0.02 0.00 0.00 0.00 0.00 44.72 44.29 1ufl s GLY 64 CO 0.26 0.36 -0.06 -1.34 0.00 0.00 0.00 173.10 172.32 1ufl s VAL 65 N 1.07 0.46 0.89 1.40 -7.23 0.88 -4.96 120.40 112.91 1ufl s VAL 65 Ca 0.06 -0.40 -0.11 0.00 -1.81 0.00 0.00 61.98 59.72 1ufl s VAL 65 Cb -0.14 -0.42 0.13 0.00 0.56 0.00 0.00 36.38 36.51 1ufl s VAL 65 CO 0.04 0.03 1.11 -0.94 -0.31 0.00 0.00 175.10 175.03 1ufl s SER 66 N -0.42 3.33 0.13 4.85 1.04 -1.26 -0.96 113.70 120.42 1ufl s SER 66 Ca -0.00 1.94 -0.20 0.00 0.48 0.00 0.00 55.95 58.16 1ufl s SER 66 Cb -0.04 -2.49 -0.02 0.00 0.10 0.00 0.00 66.02 63.58 1ufl s SER 66 CO -0.00 -2.80 1.69 -0.33 0.98 0.00 0.00 173.24 172.78 1ufl h GLU 67 N -1.66 -0.05 0.00 4.02 4.39 -1.95 -1.33 114.58 118.00 1ufl h GLU 67 Ca -0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.25 1ufl h GLU 67 Cb 1.26 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1ufl h GLU 67 CO 0.47 -0.03 0.06 -2.30 -1.16 0.00 0.00 179.01 176.04 1ufl n PRO 68 N -5.24 0.00 -0.10 2.33 -0.02 -1.26 -1.44 135.00 129.28 1ufl n PRO 68 Ca -0.02 0.37 0.03 0.00 -2.02 0.00 0.00 63.50 61.86 1ufl n PRO 68 Cb 0.16 -1.56 0.08 0.00 -0.02 0.00 0.00 33.50 32.17 1ufl n PRO 68 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1ufl n PHE 69 N -1.36 0.24 -0.04 6.00 3.01 -0.51 -4.62 117.46 120.18 1ufl n PHE 69 Ca 0.00 -0.55 -0.12 0.00 1.01 0.00 0.00 57.45 57.79 1ufl n PHE 69 Cb 0.06 -0.06 -0.11 0.00 -0.01 0.00 0.00 39.48 39.36 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 0.92 1.43 -0.68 -4.37 2.07 -1.17 -2.30 116.25 112.15 1ufl h VAL 70 Ca 0.00 -1.85 0.01 0.00 0.82 0.00 0.00 66.70 65.68 1ufl h VAL 70 Cb 0.67 2.60 -0.03 0.00 -1.52 0.00 0.00 31.29 33.01 1ufl h VAL 70 CO 0.01 0.45 0.45 0.11 0.02 0.00 0.00 177.57 178.60 1ufl h LYS 71 N -0.89 0.89 -0.62 1.57 1.57 -1.84 0.84 116.57 118.09 1ufl h LYS 71 Ca -0.00 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.63 1ufl h LYS 71 Cb 0.75 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.84 1ufl h LYS 71 CO 0.00 0.59 0.02 -1.35 -0.57 0.00 0.00 179.45 178.14 1ufl h PRO 72 N 0.91 1.08 -0.01 3.15 0.11 -1.82 -0.79 132.00 134.62 1ufl h PRO 72 Ca 0.25 -0.33 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 1ufl h PRO 72 Cb -0.10 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 30.90 1ufl h PRO 72 CO -0.05 1.04 -0.00 1.15 -0.21 0.00 0.00 178.00 179.92 1ufl h THR 73 N 0.99 1.28 -0.01 -1.15 2.02 -1.04 -0.13 112.91 114.88 1ufl h THR 73 Ca 0.18 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1ufl h THR 73 Cb 0.54 1.81 -0.00 0.00 -1.74 0.00 0.00 68.15 68.76 1ufl h THR 73 CO 0.03 0.22 0.00 0.58 0.37 0.00 0.00 175.52 176.72 1ufl h VAL 74 N -0.31 1.02 -0.17 3.16 2.07 -0.83 -0.86 116.25 120.32 1ufl h VAL 74 Ca 0.00 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.51 1ufl h VAL 74 Cb 0.36 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 1ufl h VAL 74 CO 0.00 0.01 -0.06 -0.33 0.02 0.00 0.00 177.57 177.21 1ufl h GLU 75 N -0.01 -0.03 -0.77 1.57 4.39 -1.17 0.36 114.58 118.93 1ufl h GLU 75 Ca 0.00 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.81 1ufl h GLU 75 Cb 0.02 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 28.62 1ufl h GLU 75 CO -0.00 -0.02 0.50 0.00 -1.16 0.00 0.00 179.01 178.33 1ufl h ALA 76 N 1.14 1.84 0.01 3.43 0.00 -0.79 -2.00 119.26 122.90 1ufl h ALA 76 Ca 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ufl h ALA 76 Cb 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ufl h ALA 76 CO -0.20 -0.01 -0.01 0.82 0.00 0.00 0.00 179.25 179.86 1ufl h ILE 77 N 0.65 1.39 -0.64 0.00 2.04 -0.09 -1.75 117.51 119.11 1ufl h ILE 77 Ca 0.36 -1.94 0.14 0.00 1.00 0.00 0.00 64.86 64.42 1ufl h ILE 77 Cb 0.53 2.58 -0.11 0.00 -0.74 0.00 0.00 36.82 39.07 1ufl h ILE 77 CO -0.13 0.45 -0.05 -0.07 0.00 0.00 0.00 178.15 178.35 1ufl h LEU 78 N -0.95 -0.39 0.24 1.44 3.38 -0.16 0.73 115.31 119.60 1ufl h LEU 78 Ca -0.00 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 1ufl h LEU 78 Cb 0.76 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1ufl h LEU 78 CO 0.00 -0.16 -0.11 0.50 0.09 0.00 0.00 178.44 178.76 1ufl h LYS 79 N 0.07 -0.31 0.00 1.13 3.64 -1.49 0.81 116.57 120.42 1ufl h LYS 79 Ca 0.33 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.72 1ufl h LYS 79 Cb 0.54 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1ufl h LYS 79 CO -0.59 0.02 -0.06 0.00 -2.27 0.00 0.00 179.45 176.56 1ufl h ALA 80 N -0.04 1.15 0.00 5.00 0.00 -0.76 -3.23 119.26 121.38 1ufl h ALA 80 Ca -0.03 -0.05 -0.37 0.00 0.00 0.00 0.00 54.91 54.46 1ufl h ALA 80 Cb 0.47 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 1ufl h ALA 80 CO 0.05 0.07 -2.34 0.00 0.00 0.00 0.00 179.25 177.03 1ufl n ALA 81 N -2.18 1.48 -1.50 0.00 0.00 0.25 -4.35 120.51 114.21 1ufl n ALA 81 Ca -0.02 -1.25 -0.41 0.00 0.00 0.00 0.00 53.44 51.76 1ufl n ALA 81 Cb 0.20 -0.23 0.02 0.00 0.00 0.00 0.00 19.45 19.44 1ufl n ALA 81 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1ufl n ARG 82 N -2.85 0.74 0.00 0.00 0.63 0.27 -4.85 116.66 110.60 1ufl n ARG 82 Ca -0.33 0.27 0.00 0.00 -0.92 0.00 0.00 57.85 56.87 1ufl n ARG 82 Cb 1.13 -1.70 0.00 0.00 0.45 0.00 0.00 32.46 32.34 1ufl n ARG 82 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1ufl n THR 83 N -1.02 0.00 -0.10 5.15 -1.04 -1.26 -5.02 114.28 110.98 1ufl n THR 83 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1ufl n THR 83 Cb 0.42 -0.05 0.00 0.00 -1.82 0.00 0.00 70.33 68.87 1ufl n THR 83 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ufl n GLY 84 N 0.84 0.84 3.99 3.41 0.00 -1.26 -5.06 105.19 107.95 1ufl n GLY 84 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.69 3.09 0.11 1.61 0.41 -1.26 -5.06 118.70 116.91 1ufl s GLU 85 Ca 0.00 -1.03 -0.31 0.00 -0.41 0.00 0.00 54.97 53.22 1ufl s GLU 85 Cb 0.00 -2.81 -0.09 0.00 -1.78 0.00 0.00 34.13 29.45 1ufl s GLU 85 CO 0.00 0.02 1.58 0.08 -0.49 0.00 0.00 175.26 176.45 1ufl s VAL 86 N -2.20 2.90 0.00 2.63 1.01 -1.26 -3.35 120.40 120.13 1ufl s VAL 86 Ca 0.46 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.97 1ufl s VAL 86 Cb -0.10 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1ufl s VAL 86 CO 0.31 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1ufl n GLY 87 N 3.83 1.32 0.23 4.51 0.00 -1.26 -4.95 105.19 108.86 1ufl n GLY 87 Ca 0.14 -0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.22 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 3.45 -1.92 -3.42 116.42 111.14 1ufl h ASP 88 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1ufl h ASP 88 Cb 0.04 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.81 1ufl h ASP 88 CO 0.00 0.00 0.00 0.61 -1.57 0.00 0.00 179.24 178.28 1ufl n GLY 89 N 0.21 -0.19 3.27 2.75 0.00 -1.25 -3.93 105.19 106.05 1ufl n GLY 89 Ca 0.02 -2.26 -0.12 0.00 0.00 0.00 0.00 46.02 43.66 1ufl n GLY 89 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ufl s LYS 90 N -0.20 0.87 -0.02 1.61 2.20 -0.84 -4.95 119.74 118.41 1ufl s LYS 90 Ca 0.00 -0.52 0.06 0.00 -0.36 0.00 0.00 55.97 55.14 1ufl s LYS 90 Cb 0.00 0.38 -0.01 0.00 -1.51 0.00 0.00 37.83 36.69 1ufl s LYS 90 CO 0.00 -0.29 -0.19 0.42 -0.36 0.00 0.00 175.35 174.93 1ufl s ILE 91 N -2.77 1.49 -0.01 5.43 1.01 -1.26 -1.15 121.20 123.95 1ufl s ILE 91 Ca -0.03 -0.80 0.05 0.00 0.00 0.00 0.00 60.65 59.87 1ufl s ILE 91 Cb -0.00 -1.25 -0.01 0.00 0.01 0.00 0.00 42.46 41.21 1ufl s ILE 91 CO -0.05 0.42 -0.16 -0.36 0.00 0.00 0.00 174.94 174.80 1ufl s PHE 92 N -0.37 1.44 -0.15 3.97 0.40 -0.21 -4.99 117.98 118.06 1ufl s PHE 92 Ca 0.05 -0.28 0.01 0.00 -0.60 0.00 0.00 56.93 56.11 1ufl s PHE 92 Cb -0.08 -0.92 0.00 0.00 0.51 0.00 0.00 43.02 42.53 1ufl s PHE 92 CO -0.00 -0.02 -0.16 0.08 0.70 0.00 0.00 175.22 175.82 1ufl s VAL 93 N -0.41 2.57 0.19 -0.44 1.01 -1.26 -1.45 120.40 120.61 1ufl s VAL 93 Ca 0.06 -0.80 0.09 0.00 0.00 0.00 0.00 61.98 61.33 1ufl s VAL 93 Cb -0.06 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1ufl s VAL 93 CO -0.00 0.52 -0.18 -0.76 0.00 0.00 0.00 175.10 174.67 1ufl s LEU 94 N 0.85 2.49 0.13 3.92 1.43 0.25 -4.95 118.68 122.78 1ufl s LEU 94 Ca -0.05 -0.92 -0.30 0.00 -1.03 0.00 0.00 54.13 51.83 1ufl s LEU 94 Cb -0.15 -0.87 -0.07 0.00 0.03 0.00 0.00 46.19 45.13 1ufl s LEU 94 CO -0.01 -0.04 1.12 -2.84 0.23 0.00 0.00 176.35 174.82 1ufl s PRO 95 N -3.08 4.54 -0.26 1.29 0.02 -1.26 -1.17 135.00 135.08 1ufl s PRO 95 Ca 0.20 1.71 0.02 0.00 0.02 0.00 0.00 61.00 62.95 1ufl s PRO 95 Cb -0.05 -3.31 0.06 0.00 0.02 0.00 0.00 34.50 31.22 1ufl s PRO 95 CO 0.08 -0.05 -0.06 0.08 -0.33 0.00 0.00 177.00 176.72 1ufl s VAL 96 N 0.28 1.83 0.12 3.83 1.01 -0.94 -4.77 120.40 121.77 1ufl s VAL 96 Ca 0.53 -1.49 -0.25 0.00 0.00 0.00 0.00 61.98 60.77 1ufl s VAL 96 Cb -0.29 -2.06 -0.06 0.00 0.00 0.00 0.00 36.38 33.97 1ufl s VAL 96 CO 0.33 -0.13 1.66 -0.33 0.00 0.00 0.00 175.10 176.62 1ufl h GLU 97 N 7.85 -0.31 -3.46 2.72 4.39 -1.96 -3.28 114.58 120.54 1ufl h GLU 97 Ca -0.17 0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.48 1ufl h GLU 97 Cb 1.05 0.07 -0.14 0.00 -0.10 0.00 0.00 28.75 29.63 1ufl h GLU 97 CO 0.44 -0.21 -0.20 0.15 -1.16 0.00 0.00 179.01 178.04 1ufl s LYS 98 N -6.10 0.93 -0.25 2.33 -0.14 -1.26 -4.84 119.74 110.41 1ufl s LYS 98 Ca -0.15 -0.70 -0.04 0.00 -1.36 0.00 0.00 55.97 53.72 1ufl s LYS 98 Cb 0.09 0.40 0.09 0.00 -1.68 0.00 0.00 37.83 36.73 1ufl s LYS 98 CO 0.66 -0.33 0.13 0.08 -0.76 0.00 0.00 175.35 175.13 1ufl s VAL 99 N -3.43 -0.10 0.07 3.17 1.01 -1.26 -5.06 120.40 114.80 1ufl s VAL 99 Ca 0.01 -0.55 -0.14 0.00 0.00 0.00 0.00 61.98 61.31 1ufl s VAL 99 Cb 0.02 -0.85 -0.06 0.00 0.00 0.00 0.00 36.38 35.49 1ufl s VAL 99 CO -0.09 -0.57 0.46 -0.31 0.00 0.00 0.00 175.10 174.59 1ufl s TYR 100 N 2.13 3.66 -0.89 5.22 1.51 -1.26 -2.82 117.35 124.90 1ufl s TYR 100 Ca 0.07 0.98 -0.14 0.00 -1.01 0.00 0.00 57.07 56.97 1ufl s TYR 100 Cb -0.16 -2.30 0.21 0.00 -0.11 0.00 0.00 41.96 39.61 1ufl s TYR 100 CO -0.28 0.55 0.88 0.50 -1.11 0.00 0.00 175.55 176.09 1ufl s ARG 101 N -1.55 3.69 0.10 -0.62 6.06 0.24 -4.92 118.95 121.95 1ufl s ARG 101 Ca 0.31 -2.46 0.05 0.00 -2.50 0.00 0.00 55.73 51.12 1ufl s ARG 101 Cb -0.16 -4.54 0.34 0.00 0.06 0.00 0.00 34.95 30.66 1ufl s ARG 101 CO 0.17 -1.37 0.45 -0.89 -2.50 0.00 0.00 175.30 171.16 1ufl n ILE 102 N 4.06 -0.12 0.00 4.11 5.41 -1.26 -1.47 119.36 130.08 1ufl n ILE 102 Ca 0.17 0.60 0.00 0.00 1.00 0.00 0.00 62.75 64.52 1ufl n ILE 102 Cb 0.46 -0.95 0.00 0.00 -0.71 0.00 0.00 39.64 38.45 1ufl n ILE 102 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1ufl n ARG 103 N -3.80 0.00 -0.27 0.38 0.63 -1.26 -3.18 116.66 109.15 1ufl n ARG 103 Ca 0.10 0.00 0.26 0.00 -0.92 0.00 0.00 57.85 57.29 1ufl n ARG 103 Cb 0.33 -0.22 0.47 0.00 0.45 0.00 0.00 32.46 33.50 1ufl n ARG 103 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1ufl n THR 104 N 0.00 -0.31 -0.40 5.15 -2.24 -0.98 -4.69 114.28 110.81 1ufl n THR 104 Ca 0.00 1.56 0.00 0.00 -2.27 0.00 0.00 64.05 63.34 1ufl n THR 104 Cb 0.00 -2.54 0.00 0.00 -2.10 0.00 0.00 70.33 65.69 1ufl n THR 104 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ufl n GLY 105 N -1.24 0.78 0.09 3.38 0.00 -0.54 -5.05 105.19 102.61 1ufl n GLY 105 Ca 0.30 -0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 1ufl n GLY 105 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ufl n GLU 106 N -2.40 1.92 -0.28 1.61 -0.58 -1.25 -4.90 120.64 114.75 1ufl n GLU 106 Ca 0.00 -0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 1ufl n GLU 106 Cb 0.00 0.02 0.00 0.00 -0.57 0.00 0.00 31.44 30.89 1ufl n GLU 106 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1ufl n GLU 107 N -0.09 1.75 0.00 3.49 1.02 -1.26 0.79 120.64 126.34 1ufl n GLU 107 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ufl n GLU 107 Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.44 1ufl n GLU 107 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84