#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3t s GLN 2 N 0.00 3.32 0.35 0.03 -2.07 -1.26 -1.89 119.66 118.13 3i3t s GLN 2 Ca 0.00 -0.67 0.09 0.00 -1.82 0.00 0.00 55.36 52.96 3i3t s GLN 2 Cb 0.00 -2.88 -0.06 0.00 -1.09 0.00 0.00 33.01 28.99 3i3t s GLN 2 CO 0.00 -0.13 0.00 0.96 -1.32 0.00 0.00 175.29 174.80 3i3t s ILE 3 N 1.26 2.54 0.03 3.63 -4.36 -0.97 -0.72 121.20 122.61 3i3t s ILE 3 Ca 0.03 -1.99 0.07 0.00 -0.26 0.00 0.00 60.65 58.50 3i3t s ILE 3 Cb -0.14 -2.79 -0.03 0.00 1.25 0.00 0.00 42.46 40.75 3i3t s ILE 3 CO -0.03 -0.19 -0.20 -0.36 0.24 0.00 0.00 174.94 174.40 3i3t s PHE 4 N -2.54 2.50 -0.15 1.37 0.08 0.27 -1.85 117.98 117.65 3i3t s PHE 4 Ca 0.35 -0.29 0.01 0.00 0.12 0.00 0.00 56.93 57.11 3i3t s PHE 4 Cb 0.01 -1.47 0.02 0.00 -0.57 0.00 0.00 43.02 41.01 3i3t s PHE 4 CO 0.19 0.20 -0.17 0.08 -0.10 0.00 0.00 175.22 175.42 3i3t s VAL 5 N -0.86 1.76 -0.22 -0.44 1.01 -0.27 0.10 120.40 121.47 3i3t s VAL 5 Ca 0.13 -0.76 -0.22 0.00 0.00 0.00 0.00 61.98 61.14 3i3t s VAL 5 Cb -0.10 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 3i3t s VAL 5 CO 0.04 0.49 0.69 -0.75 0.00 0.00 0.00 175.10 175.57 3i3t s LYS 6 N 1.33 4.18 0.54 2.72 2.20 0.12 0.21 119.74 131.04 3i3t s LYS 6 Ca 0.03 0.70 0.06 0.00 -0.36 0.00 0.00 55.97 56.40 3i3t s LYS 6 Cb -0.13 -3.62 0.10 0.00 -1.51 0.00 0.00 37.83 32.67 3i3t s LYS 6 CO -0.10 -0.37 0.75 0.25 -0.36 0.00 0.00 175.35 175.52 3i3t n THR 7 N 4.99 0.00 -0.34 3.43 -2.24 -0.10 -0.89 114.28 119.12 3i3t n THR 7 Ca 0.01 -1.59 0.19 0.00 -2.27 0.00 0.00 64.05 60.39 3i3t n THR 7 Cb 0.49 -0.69 0.42 0.00 -2.10 0.00 0.00 70.33 68.45 3i3t n THR 7 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3i3t h LEU 8 N 0.00 0.62 -1.07 3.22 4.07 -1.86 0.58 115.31 120.86 3i3t h LEU 8 Ca -0.25 0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.84 3i3t h LEU 8 Cb 1.08 0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.85 3i3t h LEU 8 CO 0.33 0.09 -0.02 0.35 -1.08 0.00 0.00 178.44 178.11 3i3t n THR 9 N -4.83 0.00 0.00 0.22 -2.24 -1.26 -4.96 114.28 101.21 3i3t n THR 9 Ca 0.27 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3i3t n THR 9 Cb 0.79 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.66 3i3t n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i3t n GLY 10 N 1.21 1.59 3.76 3.38 0.00 0.19 -5.05 105.19 110.27 3i3t n GLY 10 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3i3t n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i3t s LYS 11 N -0.97 4.32 -0.09 1.61 2.20 -1.26 -4.63 119.74 120.91 3i3t s LYS 11 Ca 0.00 2.25 -0.14 0.00 -0.36 0.00 0.00 55.97 57.72 3i3t s LYS 11 Cb 0.00 -3.09 -0.05 0.00 -1.51 0.00 0.00 37.83 33.18 3i3t s LYS 11 CO 0.00 -0.29 0.35 0.99 -0.36 0.00 0.00 175.35 176.04 3i3t s THR 12 N -0.65 5.20 0.16 3.43 2.01 -1.26 -0.92 115.64 123.61 3i3t s THR 12 Ca 0.53 0.69 0.05 0.00 0.31 0.00 0.00 61.69 63.28 3i3t s THR 12 Cb -0.41 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 3i3t s THR 12 CO 0.49 0.47 0.12 0.27 -0.69 0.00 0.00 174.62 175.28 3i3t s ILE 13 N -0.21 4.43 -0.18 1.82 -4.36 0.13 -4.93 121.20 117.92 3i3t s ILE 13 Ca 0.21 -1.10 -0.07 0.00 -0.26 0.00 0.00 60.65 59.43 3i3t s ILE 13 Cb -0.15 -3.26 -0.04 0.00 1.25 0.00 0.00 42.46 40.27 3i3t s ILE 13 CO 0.08 -0.10 0.06 -0.89 0.24 0.00 0.00 174.94 174.33 3i3t s THR 14 N -1.74 4.75 0.20 8.37 2.01 -1.26 -1.12 115.64 126.85 3i3t s THR 14 Ca 0.31 -0.05 0.08 0.00 0.31 0.00 0.00 61.69 62.34 3i3t s THR 14 Cb -0.10 -3.14 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 3i3t s THR 14 CO 0.23 0.47 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.70 3i3t s LEU 15 N 0.31 2.51 -0.29 4.42 1.43 -0.77 -5.01 118.68 121.29 3i3t s LEU 15 Ca 0.03 -0.96 -0.03 0.00 -1.03 0.00 0.00 54.13 52.14 3i3t s LEU 15 Cb -0.12 -0.77 0.03 0.00 0.03 0.00 0.00 46.19 45.36 3i3t s LEU 15 CO 0.00 -0.10 0.01 -0.70 0.23 0.00 0.00 176.35 175.79 3i3t s GLU 16 N -3.29 2.69 0.15 1.70 2.56 -1.26 -2.28 118.70 118.97 3i3t s GLU 16 Ca 0.20 -1.10 0.03 0.00 0.00 0.00 0.00 54.97 54.11 3i3t s GLU 16 Cb -0.03 -3.19 -0.05 0.00 2.00 0.00 0.00 34.13 32.86 3i3t s GLU 16 CO 0.08 -0.53 -0.06 0.14 -0.56 0.00 0.00 175.26 174.33 3i3t s VAL 17 N 1.34 0.94 0.12 3.70 -7.23 -0.79 -5.04 120.40 113.43 3i3t s VAL 17 Ca -0.02 -2.01 0.06 0.00 -1.81 0.00 0.00 61.98 58.20 3i3t s VAL 17 Cb -0.18 -1.94 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 3i3t s VAL 17 CO -0.01 -0.65 -0.04 -1.61 -0.31 0.00 0.00 175.10 172.47 3i3t s GLU 18 N -3.82 2.33 0.00 4.82 0.41 -1.26 -2.34 118.70 118.84 3i3t s GLU 18 Ca 0.19 -0.99 0.00 0.00 -0.41 0.00 0.00 54.97 53.76 3i3t s GLU 18 Cb 0.04 -2.39 0.00 0.00 -1.78 0.00 0.00 34.13 30.00 3i3t s GLU 18 CO 0.01 0.50 0.71 -2.30 -0.49 0.00 0.00 175.26 173.69 3i3t n PRO 19 N 0.43 0.00 0.00 0.39 -0.02 -1.26 -1.17 135.00 133.37 3i3t n PRO 19 Ca -0.12 0.24 0.06 0.00 -2.02 0.00 0.00 63.50 61.66 3i3t n PRO 19 Cb 0.53 -1.54 0.04 0.00 -0.02 0.00 0.00 33.50 32.50 3i3t n PRO 19 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3i3t n SER 20 N -1.21 1.81 -4.67 2.55 7.64 -1.26 -0.65 113.62 117.84 3i3t n SER 20 Ca 0.00 -1.40 -0.45 0.00 1.01 0.00 0.00 58.87 58.02 3i3t n SER 20 Cb 0.04 0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.32 3i3t n SER 20 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3i3t n ASP 21 N 0.45 2.76 -3.78 6.43 8.00 -0.31 -4.76 116.55 125.34 3i3t n ASP 21 Ca 0.06 1.13 -0.30 0.00 0.71 0.00 0.00 54.79 56.39 3i3t n ASP 21 Cb 0.28 -1.42 0.24 0.00 -0.02 0.00 0.00 41.12 40.20 3i3t n ASP 21 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3i3t s THR 22 N 0.16 1.61 0.07 -3.53 -4.23 -1.26 -1.61 115.64 106.86 3i3t s THR 22 Ca 0.71 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 61.25 3i3t s THR 22 Cb -0.67 -2.53 -0.24 0.00 1.34 0.00 0.00 72.50 70.40 3i3t s THR 22 CO 0.47 0.00 1.11 0.40 -0.54 0.00 0.00 174.62 176.06 3i3t h ILE 23 N -2.56 1.48 -0.98 2.99 5.03 -1.72 -2.99 117.51 118.77 3i3t h ILE 23 Ca -0.44 -3.16 0.10 0.00 -0.12 0.00 0.00 64.86 61.24 3i3t h ILE 23 Cb 1.29 2.81 -0.08 0.00 -3.03 0.00 0.00 36.82 37.81 3i3t h ILE 23 CO 0.33 0.88 0.62 -0.33 -0.68 0.00 0.00 178.15 178.97 3i3t h GLU 24 N 0.03 0.98 -0.16 2.37 3.07 -1.89 -1.34 114.58 117.64 3i3t h GLU 24 Ca -0.11 -0.06 0.01 0.00 -0.50 0.00 0.00 59.36 58.70 3i3t h GLU 24 Cb 1.88 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 29.56 3i3t h GLU 24 CO 0.15 0.65 0.08 -0.91 -1.40 0.00 0.00 179.01 177.57 3i3t h ASN 25 N 1.01 0.12 -0.03 1.42 -0.26 -1.89 0.31 115.58 116.25 3i3t h ASN 25 Ca 0.46 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 56.21 3i3t h ASN 25 Cb 0.40 -0.02 -0.00 0.00 -1.06 0.00 0.00 38.32 37.64 3i3t h ASN 25 CO -0.22 0.09 -0.00 0.58 -1.06 0.00 0.00 177.43 176.82 3i3t h VAL 26 N 0.17 0.98 -0.88 2.81 2.07 -1.28 -1.61 116.25 118.51 3i3t h VAL 26 Ca 0.06 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.61 3i3t h VAL 26 Cb 0.01 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 3i3t h VAL 26 CO -0.04 0.00 0.58 0.11 0.02 0.00 0.00 177.57 178.24 3i3t h LYS 27 N 0.01 1.08 -0.67 1.57 1.57 -0.98 0.16 116.57 119.31 3i3t h LYS 27 Ca 0.01 -0.07 0.06 0.00 -1.87 0.00 0.00 60.65 58.79 3i3t h LYS 27 Cb 0.01 -0.24 -0.06 0.00 0.08 0.00 0.00 32.23 32.02 3i3t h LYS 27 CO -0.02 0.72 0.37 0.00 -0.57 0.00 0.00 179.45 179.94 3i3t h ALA 28 N 1.48 0.91 -0.46 3.86 0.00 0.06 0.32 119.26 125.43 3i3t h ALA 28 Ca 0.34 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.23 3i3t h ALA 28 Cb -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3i3t h ALA 28 CO -0.10 0.03 0.07 0.87 0.00 0.00 0.00 179.25 180.13 3i3t h LYS 29 N 0.67 0.70 -0.27 0.00 1.79 -0.16 -1.81 116.57 117.49 3i3t h LYS 29 Ca 0.31 -0.15 -0.19 0.00 -2.18 0.00 0.00 60.65 58.44 3i3t h LYS 29 Cb 0.21 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 3i3t h LYS 29 CO -0.20 0.67 -0.58 0.82 -1.08 0.00 0.00 179.45 179.08 3i3t h ILE 30 N 0.68 1.27 0.14 1.86 2.04 0.69 -2.20 117.51 121.99 3i3t h ILE 30 Ca 0.15 -1.76 0.01 0.00 1.00 0.00 0.00 64.86 64.25 3i3t h ILE 30 Cb 0.31 1.67 -0.03 0.00 -0.74 0.00 0.00 36.82 38.03 3i3t h ILE 30 CO 0.00 0.57 -0.41 -0.61 0.00 0.00 0.00 178.15 177.70 3i3t h GLN 31 N 0.66 -0.60 -0.99 2.37 4.15 -0.32 0.31 115.11 120.69 3i3t h GLN 31 Ca 0.01 0.04 0.29 0.00 0.77 0.00 0.00 58.65 59.76 3i3t h GLN 31 Cb 1.19 0.14 -0.14 0.00 0.21 0.00 0.00 27.48 28.88 3i3t h GLN 31 CO 0.13 -0.40 0.54 -0.44 -1.93 0.00 0.00 178.83 176.73 3i3t h ASP 32 N -0.62 0.50 0.49 -0.69 3.32 -1.27 0.35 116.42 118.50 3i3t h ASP 32 Ca -0.01 0.18 -0.30 0.00 0.02 0.00 0.00 57.03 56.92 3i3t h ASP 32 Cb 0.61 0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.25 3i3t h ASP 32 CO -0.20 -0.07 -1.64 0.50 -1.72 0.00 0.00 179.24 176.11 3i3t h LYS 33 N 0.38 0.08 0.00 3.56 3.64 -1.17 -3.42 116.57 119.64 3i3t h LYS 33 Ca 0.69 -0.13 -0.07 0.00 -1.27 0.00 0.00 60.65 59.87 3i3t h LYS 33 Cb 1.48 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.33 3i3t h LYS 33 CO -0.57 0.76 -1.27 -1.91 -2.27 0.00 0.00 179.45 174.18 3i3t n GLU 34 N -3.21 2.94 -0.10 1.90 4.07 0.11 -5.05 120.64 121.30 3i3t n GLU 34 Ca -0.17 -0.01 0.00 0.00 -0.06 0.00 0.00 57.16 56.92 3i3t n GLU 34 Cb 1.04 -1.10 0.00 0.00 -0.06 0.00 0.00 31.44 31.31 3i3t n GLU 34 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3i3t n GLY 35 N 2.69 0.95 3.47 8.31 0.00 0.11 -5.02 105.19 115.70 3i3t n GLY 35 Ca -0.06 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 3i3t n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i3t s ILE 36 N -2.00 4.23 0.49 -0.61 1.01 -1.26 -5.01 121.20 118.06 3i3t s ILE 36 Ca 0.00 -0.21 -0.23 0.00 0.00 0.00 0.00 60.65 60.21 3i3t s ILE 36 Cb 0.00 -2.94 -0.06 0.00 0.01 0.00 0.00 42.46 39.46 3i3t s ILE 36 CO 0.00 0.39 1.30 -2.84 0.00 0.00 0.00 174.94 173.79 3i3t s PRO 37 N 1.21 3.49 0.19 2.79 0.02 -1.26 -3.85 135.00 137.59 3i3t s PRO 37 Ca 0.04 2.10 -0.18 0.00 0.02 0.00 0.00 61.00 62.98 3i3t s PRO 37 Cb -0.14 -2.41 0.15 0.00 0.02 0.00 0.00 34.50 32.11 3i3t s PRO 37 CO 0.03 -0.86 1.61 -1.35 -0.33 0.00 0.00 177.00 176.09 3i3t h PRO 38 N 1.89 -0.12 0.00 5.54 0.11 -1.96 -2.44 132.00 135.03 3i3t h PRO 38 Ca -0.50 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3i3t h PRO 38 Cb 1.27 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3i3t h PRO 38 CO 0.59 -0.08 0.03 -0.40 -0.21 0.00 0.00 178.00 177.94 3i3t n ASP 39 N -5.42 0.02 -0.00 -2.05 5.68 -1.26 -0.23 116.55 113.29 3i3t n ASP 39 Ca 0.04 0.48 0.07 0.00 -0.50 0.00 0.00 54.79 54.89 3i3t n ASP 39 Cb 0.33 -0.48 -0.09 0.00 -1.14 0.00 0.00 41.12 39.74 3i3t n ASP 39 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3i3t n GLN 40 N -1.50 1.87 -2.73 0.11 6.02 -0.92 -5.00 117.38 115.23 3i3t n GLN 40 Ca -0.00 -0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.56 3i3t n GLN 40 Cb 0.03 -1.23 -0.03 0.00 1.02 0.00 0.00 30.24 30.04 3i3t n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3i3t s GLN 41 N -2.48 4.54 -0.12 -1.09 -0.21 0.67 -4.35 119.66 116.63 3i3t s GLN 41 Ca 0.05 1.39 0.01 0.00 0.02 0.00 0.00 55.36 56.83 3i3t s GLN 41 Cb 0.11 -3.47 -0.01 0.00 1.00 0.00 0.00 33.01 30.65 3i3t s GLN 41 CO 0.63 -0.06 -0.15 1.03 -2.12 0.00 0.00 175.29 174.61 3i3t s ARG 42 N 1.07 3.23 -0.16 2.91 0.52 -0.28 -5.02 118.95 121.22 3i3t s ARG 42 Ca 0.51 -0.73 -0.03 0.00 -0.52 0.00 0.00 55.73 54.96 3i3t s ARG 42 Cb -0.21 -2.54 -0.02 0.00 0.52 0.00 0.00 34.95 32.70 3i3t s ARG 42 CO 0.27 0.25 -0.05 -0.51 0.02 0.00 0.00 175.30 175.28 3i3t s LEU 43 N 0.24 3.16 -0.10 2.53 2.01 -1.26 -1.89 118.68 123.37 3i3t s LEU 43 Ca -0.10 -0.17 0.04 0.00 0.01 0.00 0.00 54.13 53.90 3i3t s LEU 43 Cb -0.16 -1.76 -0.00 0.00 0.01 0.00 0.00 46.19 44.28 3i3t s LEU 43 CO 0.06 0.15 -0.22 -0.63 1.01 0.00 0.00 176.35 176.72 3i3t s ILE 44 N 0.45 2.24 -0.04 -0.59 1.01 0.04 -1.31 121.20 123.00 3i3t s ILE 44 Ca -0.04 -0.96 -0.00 0.00 0.00 0.00 0.00 60.65 59.64 3i3t s ILE 44 Cb -0.14 -1.86 0.03 0.00 0.01 0.00 0.00 42.46 40.49 3i3t s ILE 44 CO 0.03 0.56 0.00 0.12 0.00 0.00 0.00 174.94 175.65 3i3t s PHE 45 N 0.26 0.43 -1.46 3.97 5.36 -0.32 -0.14 117.98 126.07 3i3t s PHE 45 Ca -0.15 -0.04 -0.04 0.00 -0.96 0.00 0.00 56.93 55.74 3i3t s PHE 45 Cb -0.17 -0.54 0.02 0.00 -0.34 0.00 0.00 43.02 41.98 3i3t s PHE 45 CO 0.08 -0.19 0.33 0.00 -1.46 0.00 0.00 175.22 173.97 3i3t n ALA 46 N 4.47 -0.87 -0.49 11.12 0.00 -1.26 -0.66 120.51 132.82 3i3t n ALA 46 Ca -0.19 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3i3t n ALA 46 Cb 0.50 -2.83 0.00 0.00 0.00 0.00 0.00 19.45 17.13 3i3t n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i3t n GLY 47 N -1.20 0.74 3.53 0.00 0.00 -1.26 -5.02 105.19 101.98 3i3t n GLY 47 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 3i3t n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i3t s LYS 48 N -0.51 2.56 -0.23 1.61 1.02 0.16 -5.08 119.74 119.28 3i3t s LYS 48 Ca 0.00 -0.67 -0.18 0.00 0.02 0.00 0.00 55.97 55.14 3i3t s LYS 48 Cb 0.00 -2.46 -0.03 0.00 -0.52 0.00 0.00 37.83 34.82 3i3t s LYS 48 CO 0.00 0.63 0.50 -1.14 -0.92 0.00 0.00 175.35 174.42 3i3t s GLN 49 N -0.91 4.14 0.25 1.68 0.74 -1.26 -1.17 119.66 123.12 3i3t s GLN 49 Ca 0.13 0.34 -0.30 0.00 0.05 0.00 0.00 55.36 55.58 3i3t s GLN 49 Cb -0.11 -3.60 -0.09 0.00 1.10 0.00 0.00 33.01 30.32 3i3t s GLN 49 CO 0.02 -0.22 1.12 -0.51 -0.55 0.00 0.00 175.29 175.15 3i3t s LEU 50 N 1.86 4.53 -0.12 3.68 1.02 -0.43 -5.02 118.68 124.21 3i3t s LEU 50 Ca 0.22 2.25 -0.10 0.00 0.02 0.00 0.00 54.13 56.51 3i3t s LEU 50 Cb -0.15 -3.62 -0.05 0.00 0.02 0.00 0.00 46.19 42.39 3i3t s LEU 50 CO 0.09 -0.19 0.22 -1.61 0.02 0.00 0.00 176.35 174.87 3i3t s GLU 51 N -1.11 3.79 0.19 1.70 2.02 -1.26 -4.71 118.70 119.32 3i3t s GLU 51 Ca 0.46 -0.00 -0.33 0.00 0.02 0.00 0.00 54.97 55.13 3i3t s GLU 51 Cb -0.32 -3.27 -0.13 0.00 0.10 0.00 0.00 34.13 30.51 3i3t s GLU 51 CO 0.40 0.59 1.61 -0.25 0.02 0.00 0.00 175.26 177.63 3i3t n ASP 52 N 2.47 3.38 0.00 -0.19 8.00 -1.26 -2.36 116.55 126.59 3i3t n ASP 52 Ca -0.17 1.08 0.00 0.00 0.71 0.00 0.00 54.79 56.42 3i3t n ASP 52 Cb 0.53 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.15 3i3t n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i3t n GLY 53 N 3.41 1.52 3.94 0.44 0.00 -1.26 -4.99 105.19 108.25 3i3t n GLY 53 Ca 0.16 -0.25 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 3i3t n GLY 53 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i3t s ARG 54 N 0.00 0.47 0.18 1.61 1.81 -1.00 -4.90 118.95 117.13 3i3t s ARG 54 Ca 0.00 -0.55 0.08 0.00 -1.72 0.00 0.00 55.73 53.54 3i3t s ARG 54 Cb 0.00 -1.86 -0.04 0.00 -0.45 0.00 0.00 34.95 32.60 3i3t s ARG 54 CO 0.00 -2.50 -0.15 0.95 -0.68 0.00 0.00 175.30 172.92 3i3t s THR 55 N -3.90 1.68 0.56 0.02 -4.23 -1.26 -2.39 115.64 106.11 3i3t s THR 55 Ca 0.76 -2.09 0.26 0.00 -1.18 0.00 0.00 61.69 59.44 3i3t s THR 55 Cb -0.03 -1.94 0.37 0.00 1.34 0.00 0.00 72.50 72.25 3i3t s THR 55 CO 0.53 -0.53 2.04 -0.07 -0.54 0.00 0.00 174.62 176.05 3i3t h LEU 56 N 2.82 0.00 -0.14 4.79 4.07 -1.38 0.12 115.31 125.58 3i3t h LEU 56 Ca -0.39 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.56 3i3t h LEU 56 Cb 1.21 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.95 3i3t h LEU 56 CO 0.59 0.00 0.06 -1.28 -1.08 0.00 0.00 178.44 176.72 3i3t h SER 57 N 0.00 0.19 -0.21 -0.43 0.87 -1.15 0.45 113.55 113.28 3i3t h SER 57 Ca 0.16 -0.16 0.06 0.00 -1.23 0.00 0.00 61.79 60.62 3i3t h SER 57 Cb 0.73 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.63 3i3t h SER 57 CO -0.00 0.30 0.26 0.44 -0.53 0.00 0.00 176.83 177.29 3i3t h ASP 58 N 0.08 0.00 -0.00 6.23 3.32 -1.04 -0.58 116.42 124.42 3i3t h ASP 58 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3i3t h ASP 58 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3i3t h ASP 58 CO -0.00 0.00 -0.67 -1.22 -1.72 0.00 0.00 179.24 175.63 3i3t n TYR 59 N -3.68 0.00 -2.93 4.55 4.01 -1.22 -4.98 117.16 112.91 3i3t n TYR 59 Ca 0.02 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.67 3i3t n TYR 59 Cb 0.38 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.45 3i3t n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3i3t n ASN 60 N -0.92 -3.71 -4.57 7.72 2.85 -0.23 -4.97 115.26 111.43 3i3t n ASN 60 Ca 0.05 -0.22 -0.43 0.00 -0.11 0.00 0.00 54.58 53.87 3i3t n ASN 60 Cb 0.32 -2.37 -0.03 0.00 1.24 0.00 0.00 39.78 38.94 3i3t n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3i3t s ILE 61 N -3.13 4.18 0.48 -1.44 1.01 0.14 -5.02 121.20 117.41 3i3t s ILE 61 Ca 0.23 0.83 0.08 0.00 0.00 0.00 0.00 60.65 61.79 3i3t s ILE 61 Cb -0.10 -4.64 0.03 0.00 0.01 0.00 0.00 42.46 37.76 3i3t s ILE 61 CO 0.30 -1.18 0.55 -1.10 0.00 0.00 0.00 174.94 173.52 3i3t s GLN 62 N 4.53 2.54 0.06 2.79 -1.52 -1.26 -4.65 119.66 122.14 3i3t s GLN 62 Ca 0.41 -1.53 -0.35 0.00 -1.95 0.00 0.00 55.36 51.94 3i3t s GLN 62 Cb -0.09 -2.54 -0.18 0.00 -0.22 0.00 0.00 33.01 29.98 3i3t s GLN 62 CO 0.26 -0.45 0.86 1.17 -0.25 0.00 0.00 175.29 176.88 3i3t n LYS 63 N -1.86 0.00 -1.05 2.91 4.81 -1.26 -1.70 118.16 120.01 3i3t n LYS 63 Ca 0.08 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.50 3i3t n LYS 63 Cb 0.61 -1.29 -0.01 0.00 0.02 0.00 0.00 35.03 34.36 3i3t n LYS 63 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3i3t n GLU 64 N 1.29 -1.14 -1.77 1.64 1.02 0.10 -5.00 120.64 116.77 3i3t n GLU 64 Ca 0.19 0.39 -0.38 0.00 -0.02 0.00 0.00 57.16 57.34 3i3t n GLU 64 Cb 0.13 -4.29 0.05 0.00 -0.02 0.00 0.00 31.44 27.31 3i3t n GLU 64 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 3i3t s SER 65 N -2.12 4.92 -0.25 1.62 0.01 -0.69 -4.73 113.70 112.46 3i3t s SER 65 Ca 0.00 2.68 -0.06 0.00 1.31 0.00 0.00 55.95 59.88 3i3t s SER 65 Cb 0.00 -2.63 -0.01 0.00 0.21 0.00 0.00 66.02 63.59 3i3t s SER 65 CO 0.00 -1.80 0.03 -0.89 0.41 0.00 0.00 173.24 170.99 3i3t s THR 66 N -1.36 3.91 0.06 1.44 2.01 -1.26 -0.57 115.64 119.87 3i3t s THR 66 Ca 0.78 -0.39 -0.12 0.00 0.31 0.00 0.00 61.69 62.27 3i3t s THR 66 Cb -0.39 -2.85 -0.06 0.00 0.01 0.00 0.00 72.50 69.21 3i3t s THR 66 CO 0.43 0.31 0.41 -0.76 -0.69 0.00 0.00 174.62 174.32 3i3t s LEU 67 N 1.54 4.39 -0.15 4.42 1.02 0.11 -4.78 118.68 125.24 3i3t s LEU 67 Ca 0.05 0.86 -0.04 0.00 0.02 0.00 0.00 54.13 55.02 3i3t s LEU 67 Cb -0.15 -2.87 -0.03 0.00 0.02 0.00 0.00 46.19 43.16 3i3t s LEU 67 CO 0.01 0.22 -0.01 -1.00 0.02 0.00 0.00 176.35 175.59 3i3t s HIS 68 N -1.30 3.11 -0.21 0.29 3.76 0.80 -0.71 115.29 121.03 3i3t s HIS 68 Ca 0.30 -0.10 -0.11 0.00 -0.15 0.00 0.00 55.06 55.00 3i3t s HIS 68 Cb -0.15 -1.95 -0.05 0.00 1.11 0.00 0.00 32.58 31.55 3i3t s HIS 68 CO 0.16 0.12 0.19 -1.17 -0.85 0.00 0.00 174.74 173.19 3i3t s LEU 69 N 0.08 4.18 0.06 0.89 2.96 -0.07 -0.78 118.68 125.99 3i3t s LEU 69 Ca 0.01 0.25 0.00 0.00 -0.22 0.00 0.00 54.13 54.18 3i3t s LEU 69 Cb -0.13 -2.17 -0.04 0.00 0.50 0.00 0.00 46.19 44.35 3i3t s LEU 69 CO 0.02 0.11 -0.04 0.68 -1.32 0.00 0.00 176.35 175.79 3i3t s VAL 70 N 0.70 0.33 0.00 1.68 -7.23 -0.79 -4.49 120.40 110.60 3i3t s VAL 70 Ca 0.10 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.64 3i3t s VAL 70 Cb -0.12 -1.28 0.00 0.00 0.56 0.00 0.00 36.38 35.54 3i3t s VAL 70 CO 0.02 -0.84 0.00 0.18 -0.31 0.00 0.00 175.10 174.15 3i3t n LEU 71 N 0.43 0.00 -4.44 1.32 4.77 -1.26 -1.12 117.00 116.70 3i3t n LEU 71 Ca -0.16 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.50 3i3t n LEU 71 Cb 0.59 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.55 3i3t n LEU 71 CO 0.27 0.00 -0.49 -0.13 -1.33 0.00 0.00 177.39 175.71 3i3t s ARG 72 N 2.35 2.27 -0.50 3.23 0.52 -1.26 -4.85 118.95 120.71 3i3t s ARG 72 Ca 0.00 -0.84 0.04 0.00 -0.52 0.00 0.00 55.73 54.41 3i3t s ARG 72 Cb 0.00 -2.24 0.13 0.00 0.52 0.00 0.00 34.95 33.36 3i3t s ARG 72 CO 0.00 0.58 0.25 -1.17 0.02 0.00 0.00 175.30 174.98 3i3t s LEU 73 N -0.95 4.11 0.39 2.53 2.96 -1.26 -5.08 118.68 121.38 3i3t s LEU 73 Ca 0.12 -2.93 -0.26 0.00 -0.22 0.00 0.00 54.13 50.85 3i3t s LEU 73 Cb -0.10 -1.56 -0.09 0.00 0.50 0.00 0.00 46.19 44.94 3i3t s LEU 73 CO 0.02 -0.24 1.21 -0.13 -1.32 0.00 0.00 176.35 175.88 3i3t s ARG 74 N -0.16 4.10 0.00 1.98 0.52 -1.26 -5.36 118.95 118.77 3i3t s ARG 74 Ca 0.17 1.94 0.00 0.00 -0.52 0.00 0.00 55.73 57.32 3i3t s ARG 74 Cb -0.25 -2.76 0.00 0.00 0.52 0.00 0.00 34.95 32.45 3i3t s ARG 74 CO -0.00 -0.31 0.00 0.41 0.02 0.00 0.00 175.30 175.41