#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 3.30 0.32 0.03 -2.07 -1.26 -1.94 119.66 118.04 3i3t s GLN 2 Ca 0.00 -0.70 0.09 0.00 -1.82 0.00 0.00 55.36 52.94 3i3t s GLN 2 Cb 0.00 -2.76 -0.05 0.00 -1.09 0.00 0.00 33.01 29.11 3i3t s GLN 2 CO 0.00 -0.03 -0.01 0.96 -1.32 0.00 0.00 175.29 174.89 3i3t s ILE 3 N 0.96 2.72 -0.01 3.63 -4.36 -0.88 -0.93 121.20 122.33 3i3t s ILE 3 Ca -0.02 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.42 3i3t s ILE 3 Cb -0.15 -2.76 -0.03 0.00 1.25 0.00 0.00 42.46 40.78 3i3t s ILE 3 CO -0.01 -0.24 -0.17 -0.36 0.24 0.00 0.00 174.94 174.39 3i3t s PHE 4 N -2.49 2.59 -0.16 1.37 0.08 0.01 -1.37 117.98 118.02 3i3t s PHE 4 Ca 0.34 -0.24 0.01 0.00 0.12 0.00 0.00 56.93 57.16 3i3t s PHE 4 Cb -0.01 -1.55 0.02 0.00 -0.57 0.00 0.00 43.02 40.90 3i3t s PHE 4 CO 0.19 0.17 -0.19 0.08 -0.10 0.00 0.00 175.22 175.37 3i3t s VAL 5 N -0.78 1.90 -0.20 -0.44 1.01 -0.48 -0.18 120.40 121.23 3i3t s VAL 5 Ca 0.12 -0.85 -0.22 0.00 0.00 0.00 0.00 61.98 61.03 3i3t s VAL 5 Cb -0.10 -1.72 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 3i3t s VAL 5 CO 0.02 0.52 0.67 -0.75 0.00 0.00 0.00 175.10 175.56 3i3t s LYS 6 N 1.18 4.22 0.26 2.72 2.20 0.32 0.22 119.74 130.87 3i3t s LYS 6 Ca 0.01 0.70 0.03 0.00 -0.36 0.00 0.00 55.97 56.35 3i3t s LYS 6 Cb -0.14 -3.58 0.05 0.00 -1.51 0.00 0.00 37.83 32.65 3i3t s LYS 6 CO -0.09 -0.27 0.36 0.25 -0.36 0.00 0.00 175.35 175.24 3i3t n THR 7 N 4.74 0.00 -0.28 3.43 -2.24 -0.13 -0.70 114.28 119.10 3i3t n THR 7 Ca -0.00 -0.79 0.10 0.00 -2.27 0.00 0.00 64.05 61.09 3i3t n THR 7 Cb 0.49 -0.87 0.34 0.00 -2.10 0.00 0.00 70.33 68.20 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 0.72 -0.96 3.22 4.07 -1.86 -1.51 115.31 119.00 3i3t h LEU 8 Ca -0.12 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.88 3i3t h LEU 8 Cb 0.53 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.16 3i3t h LEU 8 CO 0.16 0.38 -0.06 0.35 -1.08 0.00 0.00 178.44 178.20 3i3t n THR 9 N -4.56 0.00 0.00 0.22 -2.24 -1.26 -4.96 114.28 101.48 3i3t n THR 9 Ca 0.17 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 3i3t n THR 9 Cb 0.41 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 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 1.23 3.40 3.76 3.38 0.00 -0.57 -5.06 105.19 111.33 3i3t n GLY 10 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.81 4.26 -0.15 1.61 2.20 -1.26 -4.60 119.74 120.98 3i3t s LYS 11 Ca 0.00 2.34 -0.14 0.00 -0.36 0.00 0.00 55.97 57.81 3i3t s LYS 11 Cb 0.00 -3.08 -0.05 0.00 -1.51 0.00 0.00 37.83 33.20 3i3t s LYS 11 CO 0.00 -0.40 0.30 0.99 -0.36 0.00 0.00 175.35 175.88 3i3t s THR 12 N -0.40 5.30 0.15 3.43 2.01 -1.26 -0.96 115.64 123.91 3i3t s THR 12 Ca 0.56 0.57 0.03 0.00 0.31 0.00 0.00 61.69 63.16 3i3t s THR 12 Cb -0.42 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 3i3t s THR 12 CO 0.48 0.40 0.23 0.27 -0.69 0.00 0.00 174.62 175.31 3i3t s ILE 13 N 0.40 5.04 -0.18 1.82 -4.36 0.13 -4.92 121.20 119.13 3i3t s ILE 13 Ca 0.17 -0.81 -0.06 0.00 -0.26 0.00 0.00 60.65 59.69 3i3t s ILE 13 Cb -0.13 -3.59 -0.04 0.00 1.25 0.00 0.00 42.46 39.96 3i3t s ILE 13 CO 0.04 -0.09 0.03 -0.89 0.24 0.00 0.00 174.94 174.28 3i3t s THR 14 N -1.73 4.46 0.17 8.37 2.01 -1.26 -1.38 115.64 126.26 3i3t s THR 14 Ca 0.33 -0.15 0.08 0.00 0.31 0.00 0.00 61.69 62.26 3i3t s THR 14 Cb -0.11 -3.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 3i3t s THR 14 CO 0.27 0.45 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.73 3i3t s LEU 15 N 0.53 2.47 -0.26 4.42 1.43 -0.47 -5.01 118.68 121.78 3i3t s LEU 15 Ca 0.01 -0.90 -0.03 0.00 -1.03 0.00 0.00 54.13 52.19 3i3t s LEU 15 Cb -0.13 -0.72 0.02 0.00 0.03 0.00 0.00 46.19 45.39 3i3t s LEU 15 CO 0.02 -0.10 -0.04 -0.70 0.23 0.00 0.00 176.35 175.76 3i3t s GLU 16 N -3.02 2.87 0.14 1.70 2.56 -1.26 -2.07 118.70 119.63 3i3t s GLU 16 Ca 0.16 -0.96 0.02 0.00 0.00 0.00 0.00 54.97 54.20 3i3t s GLU 16 Cb -0.04 -3.05 -0.04 0.00 2.00 0.00 0.00 34.13 32.99 3i3t s GLU 16 CO 0.06 -0.41 -0.04 0.14 -0.56 0.00 0.00 175.26 174.44 3i3t s VAL 17 N 1.35 0.81 0.12 3.70 -7.23 -0.82 -5.04 120.40 113.29 3i3t s VAL 17 Ca 0.00 -1.99 0.07 0.00 -1.81 0.00 0.00 61.98 58.26 3i3t s VAL 17 Cb -0.17 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 3i3t s VAL 17 CO -0.03 -0.66 -0.08 -1.61 -0.31 0.00 0.00 175.10 172.40 3i3t s GLU 18 N -3.85 2.18 0.00 4.82 0.41 -1.26 -2.56 118.70 118.44 3i3t s GLU 18 Ca 0.18 -1.05 0.00 0.00 -0.41 0.00 0.00 54.97 53.70 3i3t s GLU 18 Cb 0.05 -2.31 0.00 0.00 -1.78 0.00 0.00 34.13 30.09 3i3t s GLU 18 CO 0.00 0.50 0.64 -2.30 -0.49 0.00 0.00 175.26 173.61 3i3t n PRO 19 N 0.53 0.00 0.00 0.39 -0.02 -1.26 -1.21 135.00 133.43 3i3t n PRO 19 Ca -0.13 0.18 0.05 0.00 -2.02 0.00 0.00 63.50 61.59 3i3t n PRO 19 Cb 0.53 -1.53 -0.02 0.00 -0.02 0.00 0.00 33.50 32.46 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 -1.14 1.07 -4.63 2.55 7.64 -1.26 -0.54 113.62 117.30 3i3t n SER 20 Ca 0.00 -1.03 -0.49 0.00 1.01 0.00 0.00 58.87 58.35 3i3t n SER 20 Cb 0.03 0.60 -0.05 0.00 -1.01 0.00 0.00 64.21 63.78 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 -0.49 2.42 -3.88 6.43 8.00 -0.35 -4.75 116.55 123.93 3i3t n ASP 21 Ca 0.04 1.10 -0.30 0.00 0.71 0.00 0.00 54.79 56.34 3i3t n ASP 21 Cb 0.21 -1.31 0.27 0.00 -0.02 0.00 0.00 41.12 40.27 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 0.92 1.55 -0.06 -3.53 -4.23 -1.26 -1.40 115.64 107.62 3i3t s THR 22 Ca 0.83 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 61.47 3i3t s THR 22 Cb -0.82 -2.16 -0.10 0.00 1.34 0.00 0.00 72.50 70.76 3i3t s THR 22 CO 0.43 0.00 1.14 0.40 -0.54 0.00 0.00 174.62 176.05 3i3t h ILE 23 N -2.99 0.98 -0.87 2.99 5.03 -1.71 -2.87 117.51 118.07 3i3t h ILE 23 Ca -0.50 -2.52 0.03 0.00 -0.12 0.00 0.00 64.86 61.75 3i3t h ILE 23 Cb 1.33 2.42 -0.05 0.00 -3.03 0.00 0.00 36.82 37.50 3i3t h ILE 23 CO 0.38 0.56 0.56 -0.33 -0.68 0.00 0.00 178.15 178.64 3i3t h GLU 24 N 0.00 1.07 0.11 2.37 3.07 -1.89 -1.71 114.58 117.60 3i3t h GLU 24 Ca -0.08 -0.06 0.02 0.00 -0.50 0.00 0.00 59.36 58.73 3i3t h GLU 24 Cb 1.61 -0.24 -0.03 0.00 -0.84 0.00 0.00 28.75 29.25 3i3t h GLU 24 CO 0.08 0.71 -0.23 -0.91 -1.40 0.00 0.00 179.01 177.25 3i3t h ASN 25 N 1.10 -0.66 -0.01 1.42 -0.26 -1.90 0.73 115.58 116.00 3i3t h ASN 25 Ca 0.34 0.08 0.03 0.00 -0.56 0.00 0.00 56.30 56.19 3i3t h ASN 25 Cb -0.02 0.25 -0.04 0.00 -1.06 0.00 0.00 38.32 37.45 3i3t h ASN 25 CO -0.11 -0.32 -0.23 0.58 -1.06 0.00 0.00 177.43 176.29 3i3t h VAL 26 N -0.43 0.47 -0.59 2.81 2.07 -1.35 -1.00 116.25 118.24 3i3t h VAL 26 Ca 0.03 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.61 3i3t h VAL 26 Cb 0.46 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 3i3t h VAL 26 CO -0.14 0.00 0.39 0.11 0.02 0.00 0.00 177.57 177.96 3i3t h LYS 27 N -0.35 0.54 -0.48 1.57 1.57 -0.90 0.17 116.57 118.69 3i3t h LYS 27 Ca 0.06 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3i3t h LYS 27 Cb 0.44 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 3i3t h LYS 27 CO -0.21 0.36 0.30 0.00 -0.57 0.00 0.00 179.45 179.32 3i3t h ALA 28 N 1.68 0.61 -0.00 3.86 0.00 0.13 0.14 119.26 125.67 3i3t h ALA 28 Ca 0.26 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 3i3t h ALA 28 Cb 0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3i3t h ALA 28 CO -0.08 0.00 -0.26 0.87 0.00 0.00 0.00 179.25 179.79 3i3t h LYS 29 N 0.60 0.01 0.02 0.00 1.57 0.54 -2.27 116.57 117.03 3i3t h LYS 29 Ca 0.18 -0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.76 3i3t h LYS 29 Cb -0.02 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 3i3t h LYS 29 CO -0.07 0.27 -0.95 0.82 -0.57 0.00 0.00 179.45 178.95 3i3t h ILE 30 N 0.01 1.61 0.77 1.86 2.04 -0.15 -2.50 117.51 121.15 3i3t h ILE 30 Ca -0.00 -3.03 -0.03 0.00 1.00 0.00 0.00 64.86 62.79 3i3t h ILE 30 Cb 0.47 2.68 -0.00 0.00 -0.74 0.00 0.00 36.82 39.23 3i3t h ILE 30 CO 0.03 0.87 -0.49 -0.61 0.00 0.00 0.00 178.15 177.96 3i3t h GLN 31 N 0.03 -1.14 -0.93 2.37 4.15 -0.59 -0.10 115.11 118.91 3i3t h GLN 31 Ca -0.03 0.08 0.25 0.00 0.77 0.00 0.00 58.65 59.72 3i3t h GLN 31 Cb 1.65 0.26 -0.14 0.00 0.21 0.00 0.00 27.48 29.46 3i3t h GLN 31 CO 0.13 -0.76 0.40 -0.44 -1.93 0.00 0.00 178.83 176.23 3i3t h ASP 32 N -1.18 0.30 0.49 -0.69 3.32 -1.35 0.40 116.42 117.70 3i3t h ASP 32 Ca -0.10 0.18 -0.30 0.00 0.02 0.00 0.00 57.03 56.83 3i3t h ASP 32 Cb 0.95 0.17 -0.03 0.00 0.22 0.00 0.00 39.33 40.64 3i3t h ASP 32 CO 0.09 -0.07 -1.62 0.50 -1.72 0.00 0.00 179.24 176.42 3i3t h LYS 33 N 0.34 0.10 0.00 3.56 3.64 -1.45 -3.42 116.57 119.33 3i3t h LYS 33 Ca 0.61 -0.16 -0.04 0.00 -1.27 0.00 0.00 60.65 59.79 3i3t h LYS 33 Cb 1.24 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 3i3t h LYS 33 CO -0.58 0.81 -1.17 -1.91 -2.27 0.00 0.00 179.45 174.32 3i3t n GLU 34 N -3.24 2.49 -0.09 1.90 4.07 -0.05 -5.04 120.64 120.67 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 1.03 -1.07 0.00 0.00 -0.06 0.00 0.00 31.44 31.34 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 2.68 0.95 3.53 8.31 0.00 0.13 -5.02 105.19 115.76 3i3t n GLY 35 Ca -0.03 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 4.61 0.58 -0.61 1.01 -1.26 -5.01 121.20 118.52 3i3t s ILE 36 Ca 0.00 -0.08 -0.20 0.00 0.00 0.00 0.00 60.65 60.37 3i3t s ILE 36 Cb 0.00 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.30 3i3t s ILE 36 CO 0.00 0.36 1.33 -2.84 0.00 0.00 0.00 174.94 173.79 3i3t s PRO 37 N 1.25 2.93 0.21 2.79 0.02 -1.26 -3.93 135.00 137.01 3i3t s PRO 37 Ca 0.05 2.16 -0.12 0.00 0.02 0.00 0.00 61.00 63.11 3i3t s PRO 37 Cb -0.14 -2.10 0.26 0.00 0.02 0.00 0.00 34.50 32.54 3i3t s PRO 37 CO 0.04 -1.33 1.67 -1.35 -0.33 0.00 0.00 177.00 175.69 3i3t h PRO 38 N 1.12 0.10 0.00 5.54 0.11 -1.96 -2.75 132.00 134.16 3i3t h PRO 38 Ca -0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3i3t h PRO 38 Cb 1.31 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3i3t h PRO 38 CO 0.56 0.07 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 3i3t n ASP 39 N -5.28 0.00 -0.04 -2.05 5.68 -1.26 -0.55 116.55 113.05 3i3t n ASP 39 Ca 0.08 0.04 0.06 0.00 -0.50 0.00 0.00 54.79 54.47 3i3t n ASP 39 Cb 0.33 -0.24 -0.06 0.00 -1.14 0.00 0.00 41.12 40.02 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 -1.24 2.95 -2.80 0.11 6.02 -1.05 -5.01 117.38 116.37 3i3t n GLN 40 Ca 0.06 -0.11 -0.41 0.00 -0.01 0.00 0.00 57.00 56.53 3i3t n GLN 40 Cb 0.08 -1.07 -0.04 0.00 1.02 0.00 0.00 30.24 30.24 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 -2.02 4.54 -0.10 -1.09 -0.21 0.29 -4.38 119.66 116.69 3i3t s GLN 41 Ca 0.05 1.28 0.02 0.00 0.02 0.00 0.00 55.36 56.74 3i3t s GLN 41 Cb 0.09 -3.44 -0.01 0.00 1.00 0.00 0.00 33.01 30.64 3i3t s GLN 41 CO 0.45 0.02 -0.17 1.03 -2.12 0.00 0.00 175.29 174.50 3i3t s ARG 42 N 0.80 3.04 -0.18 2.91 0.52 -0.10 -5.02 118.95 120.92 3i3t s ARG 42 Ca 0.48 -0.76 -0.04 0.00 -0.52 0.00 0.00 55.73 54.88 3i3t s ARG 42 Cb -0.20 -2.45 -0.03 0.00 0.52 0.00 0.00 34.95 32.79 3i3t s ARG 42 CO 0.26 0.30 -0.02 -0.51 0.02 0.00 0.00 175.30 175.35 3i3t s LEU 43 N 0.09 3.27 -0.13 2.53 2.01 -1.26 -2.11 118.68 123.08 3i3t s LEU 43 Ca -0.08 -0.15 0.01 0.00 0.01 0.00 0.00 54.13 53.92 3i3t s LEU 43 Cb -0.15 -1.81 -0.01 0.00 0.01 0.00 0.00 46.19 44.24 3i3t s LEU 43 CO 0.05 0.12 -0.17 -0.63 1.01 0.00 0.00 176.35 176.74 3i3t s ILE 44 N 0.64 2.66 -0.06 -0.59 1.01 0.40 -1.12 121.20 124.14 3i3t s ILE 44 Ca -0.01 -0.79 -0.00 0.00 0.00 0.00 0.00 60.65 59.84 3i3t s ILE 44 Cb -0.14 -2.10 0.03 0.00 0.01 0.00 0.00 42.46 40.26 3i3t s ILE 44 CO 0.02 0.53 -0.01 0.12 0.00 0.00 0.00 174.94 175.61 3i3t s PHE 45 N 0.51 0.59 -1.46 3.97 5.36 -0.34 -0.55 117.98 126.06 3i3t s PHE 45 Ca -0.11 -0.12 -0.08 0.00 -0.96 0.00 0.00 56.93 55.66 3i3t s PHE 45 Cb -0.16 -0.68 0.03 0.00 -0.34 0.00 0.00 43.02 41.88 3i3t s PHE 45 CO 0.04 -0.25 0.76 0.00 -1.46 0.00 0.00 175.22 174.32 3i3t n ALA 46 N 4.70 -1.11 -0.62 11.12 0.00 -1.26 -0.73 120.51 132.61 3i3t n ALA 46 Ca -0.15 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3i3t n ALA 46 Cb 0.50 -4.09 0.00 0.00 0.00 0.00 0.00 19.45 15.86 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 -1.58 0.89 3.49 0.00 0.00 -1.26 -5.00 105.19 101.73 3i3t n GLY 47 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.34 2.43 -0.15 1.61 1.02 0.09 -5.09 119.74 119.31 3i3t s LYS 48 Ca 0.00 -0.75 -0.20 0.00 0.02 0.00 0.00 55.97 55.05 3i3t s LYS 48 Cb 0.00 -2.36 -0.03 0.00 -0.52 0.00 0.00 37.83 34.92 3i3t s LYS 48 CO 0.00 0.61 0.55 -1.14 -0.92 0.00 0.00 175.35 174.45 3i3t s GLN 49 N -0.93 4.29 0.11 1.68 0.74 -1.26 -1.19 119.66 123.09 3i3t s GLN 49 Ca 0.13 0.54 -0.30 0.00 0.05 0.00 0.00 55.36 55.77 3i3t s GLN 49 Cb -0.11 -3.50 -0.06 0.00 1.10 0.00 0.00 33.01 30.44 3i3t s GLN 49 CO 0.02 -0.03 1.03 -0.51 -0.55 0.00 0.00 175.29 175.26 3i3t s LEU 50 N 1.20 4.47 -0.10 3.68 1.02 -0.28 -5.01 118.68 123.67 3i3t s LEU 50 Ca 0.28 1.90 -0.13 0.00 0.02 0.00 0.00 54.13 56.20 3i3t s LEU 50 Cb -0.16 -3.59 -0.05 0.00 0.02 0.00 0.00 46.19 42.41 3i3t s LEU 50 CO 0.11 -0.18 0.30 -1.61 0.02 0.00 0.00 176.35 174.99 3i3t s GLU 51 N 0.12 3.96 0.16 1.70 2.02 -1.26 -4.69 118.70 120.72 3i3t s GLU 51 Ca 0.50 0.16 -0.33 0.00 0.02 0.00 0.00 54.97 55.31 3i3t s GLU 51 Cb -0.26 -3.30 -0.13 0.00 0.10 0.00 0.00 34.13 30.54 3i3t s GLU 51 CO 0.31 0.51 1.62 -0.25 0.02 0.00 0.00 175.26 177.47 3i3t n ASP 52 N 2.63 3.32 0.00 -0.19 8.00 -1.26 -2.21 116.55 126.84 3i3t n ASP 52 Ca -0.14 1.07 0.00 0.00 0.71 0.00 0.00 54.79 56.43 3i3t n ASP 52 Cb 0.53 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 40.17 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 3.58 1.38 3.79 0.44 0.00 -1.26 -5.00 105.19 108.13 3i3t n GLY 53 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 3i3t n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i3t n ARG 54 N -0.09 -0.62 -4.31 1.61 5.12 -0.94 -4.91 116.66 112.52 3i3t n ARG 54 Ca 0.00 -2.37 -0.19 0.00 -1.93 0.00 0.00 57.85 53.36 3i3t n ARG 54 Cb 0.00 -0.96 -0.11 0.00 -1.16 0.00 0.00 32.46 30.24 3i3t n ARG 54 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3i3t s THR 55 N -3.39 1.64 0.44 0.55 -4.23 -1.26 -2.32 115.64 107.07 3i3t s THR 55 Ca 0.69 -2.01 0.18 0.00 -1.18 0.00 0.00 61.69 59.37 3i3t s THR 55 Cb -0.03 -1.86 0.38 0.00 1.34 0.00 0.00 72.50 72.32 3i3t s THR 55 CO 0.47 -0.48 1.90 -0.07 -0.54 0.00 0.00 174.62 175.90 3i3t h LEU 56 N 2.99 0.35 -0.32 4.79 4.07 -1.31 0.18 115.31 126.05 3i3t h LEU 56 Ca -0.40 0.03 0.02 0.00 0.08 0.00 0.00 57.88 57.61 3i3t h LEU 56 Cb 1.21 -0.04 -0.03 0.00 1.08 0.00 0.00 40.66 42.88 3i3t h LEU 56 CO 0.56 0.16 0.17 -1.28 -1.08 0.00 0.00 178.44 176.97 3i3t h SER 57 N 0.36 0.25 -0.25 -0.43 0.87 -1.08 -0.31 113.55 112.97 3i3t h SER 57 Ca 0.40 0.01 0.07 0.00 -1.23 0.00 0.00 61.79 61.05 3i3t h SER 57 Cb 1.03 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.95 3i3t h SER 57 CO -0.13 0.19 0.29 0.44 -0.53 0.00 0.00 176.83 177.09 3i3t h ASP 58 N 0.34 0.00 -0.01 6.23 3.32 -0.91 -0.56 116.42 124.83 3i3t h ASP 58 Ca 0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3i3t h ASP 58 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3i3t h ASP 58 CO -0.09 0.00 -0.30 -1.22 -1.72 0.00 0.00 179.24 175.92 3i3t n TYR 59 N -3.69 0.00 -3.02 4.55 4.01 -1.17 -4.98 117.16 112.86 3i3t n TYR 59 Ca 0.03 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.66 3i3t n TYR 59 Cb 0.43 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.50 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 -0.09 -4.04 -4.56 7.72 2.85 -0.22 -4.97 115.26 111.94 3i3t n ASN 60 Ca 0.06 -0.26 -0.43 0.00 -0.11 0.00 0.00 54.58 53.84 3i3t n ASN 60 Cb 0.32 -2.70 -0.04 0.00 1.24 0.00 0.00 39.78 38.60 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 -3.16 4.36 0.51 -1.44 1.01 -0.14 -5.01 121.20 117.33 3i3t s ILE 61 Ca 0.27 0.69 0.08 0.00 0.00 0.00 0.00 60.65 61.69 3i3t s ILE 61 Cb -0.12 -4.52 0.04 0.00 0.01 0.00 0.00 42.46 37.87 3i3t s ILE 61 CO 0.35 -0.99 0.56 -1.10 0.00 0.00 0.00 174.94 173.75 3i3t s GLN 62 N 4.04 2.42 0.17 2.79 -1.52 -1.26 -4.64 119.66 121.67 3i3t s GLN 62 Ca 0.37 -1.66 -0.32 0.00 -1.95 0.00 0.00 55.36 51.80 3i3t s GLN 62 Cb -0.10 -2.45 -0.16 0.00 -0.22 0.00 0.00 33.01 30.07 3i3t s GLN 62 CO 0.25 -0.55 0.99 1.17 -0.25 0.00 0.00 175.29 176.91 3i3t n LYS 63 N -1.89 0.79 -0.95 2.91 4.81 -1.26 -1.78 118.16 120.79 3i3t n LYS 63 Ca 0.07 0.28 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 3i3t n LYS 63 Cb 0.62 -1.66 0.00 0.00 0.02 0.00 0.00 35.03 34.01 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 1.42 -0.95 -1.82 1.64 1.02 -0.11 -5.01 120.64 116.83 3i3t n GLU 64 Ca 0.16 0.24 -0.40 0.00 -0.02 0.00 0.00 57.16 57.14 3i3t n GLU 64 Cb 0.23 -4.07 0.02 0.00 -0.02 0.00 0.00 31.44 27.60 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 -2.08 5.85 -0.24 1.62 0.01 -0.73 -4.72 113.70 113.42 3i3t s SER 65 Ca 0.00 2.89 -0.07 0.00 1.31 0.00 0.00 55.95 60.08 3i3t s SER 65 Cb 0.00 -2.65 -0.03 0.00 0.21 0.00 0.00 66.02 63.55 3i3t s SER 65 CO 0.00 -1.19 0.06 -0.89 0.41 0.00 0.00 173.24 171.63 3i3t s THR 66 N -1.22 4.30 0.01 1.44 2.01 -1.26 -0.81 115.64 120.12 3i3t s THR 66 Ca 0.62 -0.18 -0.04 0.00 0.31 0.00 0.00 61.69 62.40 3i3t s THR 66 Cb -0.43 -3.00 -0.04 0.00 0.01 0.00 0.00 72.50 69.04 3i3t s THR 66 CO 0.55 0.36 0.22 -0.76 -0.69 0.00 0.00 174.62 174.30 3i3t s LEU 67 N 1.41 4.36 -0.09 4.42 1.02 0.75 -4.77 118.68 125.79 3i3t s LEU 67 Ca 0.05 0.42 0.02 0.00 0.02 0.00 0.00 54.13 54.64 3i3t s LEU 67 Cb -0.15 -2.68 -0.02 0.00 0.02 0.00 0.00 46.19 43.36 3i3t s LEU 67 CO 0.03 0.24 -0.15 -1.00 0.02 0.00 0.00 176.35 175.49 3i3t s HIS 68 N -1.34 2.72 -0.16 0.29 3.76 0.28 -0.52 115.29 120.32 3i3t s HIS 68 Ca 0.28 -0.49 -0.06 0.00 -0.15 0.00 0.00 55.06 54.64 3i3t s HIS 68 Cb -0.13 -1.73 -0.04 0.00 1.11 0.00 0.00 32.58 31.79 3i3t s HIS 68 CO 0.19 -0.07 0.05 -1.17 -0.85 0.00 0.00 174.74 172.88 3i3t s LEU 69 N -0.11 3.75 0.09 0.89 2.96 0.13 -0.45 118.68 125.93 3i3t s LEU 69 Ca -0.02 0.09 -0.08 0.00 -0.22 0.00 0.00 54.13 53.89 3i3t s LEU 69 Cb -0.14 -1.93 -0.00 0.00 0.50 0.00 0.00 46.19 44.62 3i3t s LEU 69 CO 0.04 0.21 0.17 0.68 -1.32 0.00 0.00 176.35 176.13 3i3t s VAL 70 N 0.13 0.15 0.00 1.68 -7.23 -0.90 -4.48 120.40 109.75 3i3t s VAL 70 Ca 0.04 -1.23 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 3i3t s VAL 70 Cb -0.12 -1.35 0.00 0.00 0.56 0.00 0.00 36.38 35.46 3i3t s VAL 70 CO 0.01 -0.68 0.00 0.18 -0.31 0.00 0.00 175.10 174.30 3i3t n LEU 71 N -0.05 0.00 -4.47 1.32 4.77 -1.26 -0.92 117.00 116.39 3i3t n LEU 71 Ca -0.15 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.51 3i3t n LEU 71 Cb 0.62 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.59 3i3t n LEU 71 CO 0.23 0.00 -0.47 -0.13 -1.33 0.00 0.00 177.39 175.69 3i3t s ARG 72 N 1.08 2.29 -0.53 3.23 0.52 -1.26 -4.87 118.95 119.40 3i3t s ARG 72 Ca 0.00 -0.84 0.04 0.00 -0.52 0.00 0.00 55.73 54.40 3i3t s ARG 72 Cb 0.00 -2.28 0.14 0.00 0.52 0.00 0.00 34.95 33.32 3i3t s ARG 72 CO 0.00 0.58 0.29 -1.17 0.02 0.00 0.00 175.30 175.02 3i3t s LEU 73 N -1.13 4.14 0.26 2.53 2.96 -1.26 -5.08 118.68 121.11 3i3t s LEU 73 Ca 0.13 -3.07 -0.30 0.00 -0.22 0.00 0.00 54.13 50.67 3i3t s LEU 73 Cb -0.11 -1.55 -0.09 0.00 0.50 0.00 0.00 46.19 44.94 3i3t s LEU 73 CO 0.03 -0.22 1.30 -0.13 -1.32 0.00 0.00 176.35 176.02 3i3t s ARG 74 N -0.36 4.39 0.00 1.98 0.52 -1.26 -5.37 118.95 118.86 3i3t s ARG 74 Ca 0.18 2.11 0.00 0.00 -0.52 0.00 0.00 55.73 57.50 3i3t s ARG 74 Cb -0.23 -3.14 0.00 0.00 0.52 0.00 0.00 34.95 32.10 3i3t s ARG 74 CO -0.02 -0.20 0.06 0.41 0.02 0.00 0.00 175.30 175.57