#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 3.31 0.30 0.03 -2.07 -1.26 -2.07 119.66 117.90 3i3t s GLN 2 Ca 0.00 -0.72 0.10 0.00 -1.82 0.00 0.00 55.36 52.92 3i3t s GLN 2 Cb 0.00 -2.61 -0.06 0.00 -1.09 0.00 0.00 33.01 29.25 3i3t s GLN 2 CO 0.00 0.15 -0.14 0.96 -1.32 0.00 0.00 175.29 174.94 3i3t s ILE 3 N 0.50 2.25 0.03 3.63 -4.36 -0.83 -0.65 121.20 121.77 3i3t s ILE 3 Ca -0.10 -2.29 0.08 0.00 -0.26 0.00 0.00 60.65 58.08 3i3t s ILE 3 Cb -0.16 -2.43 -0.03 0.00 1.25 0.00 0.00 42.46 41.09 3i3t s ILE 3 CO 0.04 -0.33 -0.22 -0.36 0.24 0.00 0.00 174.94 174.32 3i3t s PHE 4 N -2.63 2.46 -0.13 1.37 0.08 -0.02 -1.59 117.98 117.51 3i3t s PHE 4 Ca 0.30 -0.33 0.01 0.00 0.12 0.00 0.00 56.93 57.04 3i3t s PHE 4 Cb -0.01 -1.45 0.02 0.00 -0.57 0.00 0.00 43.02 41.01 3i3t s PHE 4 CO 0.15 0.18 -0.16 0.08 -0.10 0.00 0.00 175.22 175.37 3i3t s VAL 5 N -0.85 1.63 -0.18 -0.44 1.01 -0.60 0.22 120.40 121.18 3i3t s VAL 5 Ca 0.13 -0.70 -0.20 0.00 0.00 0.00 0.00 61.98 61.21 3i3t s VAL 5 Cb -0.10 -1.49 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 3i3t s VAL 5 CO 0.03 0.47 0.59 -0.75 0.00 0.00 0.00 175.10 175.44 3i3t s LYS 6 N 1.16 4.23 0.62 2.72 2.20 0.67 0.70 119.74 132.03 3i3t s LYS 6 Ca -0.02 0.56 0.08 0.00 -0.36 0.00 0.00 55.97 56.24 3i3t s LYS 6 Cb -0.14 -3.55 0.10 0.00 -1.51 0.00 0.00 37.83 32.73 3i3t s LYS 6 CO -0.05 -0.17 0.85 0.95 -0.36 0.00 0.00 175.35 176.57 3i3t s THR 7 N 1.67 2.05 0.34 3.43 -4.23 -0.45 -1.06 115.64 117.40 3i3t s THR 7 Ca 0.28 -0.93 0.13 0.00 -1.18 0.00 0.00 61.69 59.98 3i3t s THR 7 Cb -0.16 -2.12 0.34 0.00 1.34 0.00 0.00 72.50 71.91 3i3t s THR 7 CO 0.11 0.00 1.73 -0.07 -0.54 0.00 0.00 174.62 175.84 3i3t h LEU 8 N 0.01 0.59 -0.34 4.79 4.07 -1.86 -0.92 115.31 121.64 3i3t h LEU 8 Ca -0.30 0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.79 3i3t h LEU 8 Cb 1.28 0.04 0.00 0.00 1.08 0.00 0.00 40.66 43.07 3i3t h LEU 8 CO 0.40 0.06 -0.25 0.35 -1.08 0.00 0.00 178.44 177.92 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 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 3i3t n THR 9 Cb 0.83 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 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 1.36 3.39 3.75 3.38 0.00 -0.35 -5.06 105.19 111.65 3i3t n GLY 10 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.89 4.15 -0.11 1.61 2.20 -1.26 -4.60 119.74 120.83 3i3t s LYS 11 Ca 0.00 2.52 -0.13 0.00 -0.36 0.00 0.00 55.97 58.00 3i3t s LYS 11 Cb 0.00 -3.04 -0.05 0.00 -1.51 0.00 0.00 37.83 33.23 3i3t s LYS 11 CO 0.00 -0.59 0.29 0.99 -0.36 0.00 0.00 175.35 175.68 3i3t s THR 12 N 0.03 5.28 0.12 3.43 2.01 -1.26 -1.33 115.64 123.92 3i3t s THR 12 Ca 0.63 0.55 0.03 0.00 0.31 0.00 0.00 61.69 63.21 3i3t s THR 12 Cb -0.46 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 3i3t s THR 12 CO 0.46 0.48 0.15 0.27 -0.69 0.00 0.00 174.62 175.30 3i3t s ILE 13 N -0.21 4.76 -0.20 1.82 -4.36 0.22 -4.93 121.20 118.29 3i3t s ILE 13 Ca 0.18 -0.84 -0.09 0.00 -0.26 0.00 0.00 60.65 59.64 3i3t s ILE 13 Cb -0.14 -3.38 -0.05 0.00 1.25 0.00 0.00 42.46 40.15 3i3t s ILE 13 CO 0.06 -0.01 0.11 -0.89 0.24 0.00 0.00 174.94 174.45 3i3t s THR 14 N -1.61 5.12 0.13 8.37 2.01 -1.26 -1.56 115.64 126.84 3i3t s THR 14 Ca 0.32 0.09 0.09 0.00 0.31 0.00 0.00 61.69 62.49 3i3t s THR 14 Cb -0.11 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 3i3t s THR 14 CO 0.24 0.42 -0.20 -0.76 -0.69 0.00 0.00 174.62 173.64 3i3t s LEU 15 N 0.55 2.37 -0.27 4.42 1.43 -0.62 -5.02 118.68 121.53 3i3t s LEU 15 Ca 0.06 -0.77 -0.03 0.00 -1.03 0.00 0.00 54.13 52.35 3i3t s LEU 15 Cb -0.12 -0.88 0.03 0.00 0.03 0.00 0.00 46.19 45.24 3i3t s LEU 15 CO 0.00 0.02 -0.01 -0.70 0.23 0.00 0.00 176.35 175.90 3i3t s GLU 16 N -2.34 2.83 0.18 1.70 2.56 -1.26 -1.97 118.70 120.40 3i3t s GLU 16 Ca 0.11 -1.00 0.03 0.00 0.00 0.00 0.00 54.97 54.11 3i3t s GLU 16 Cb -0.08 -3.14 -0.05 0.00 2.00 0.00 0.00 34.13 32.86 3i3t s GLU 16 CO 0.06 -0.46 -0.03 0.14 -0.56 0.00 0.00 175.26 174.41 3i3t s VAL 17 N 1.36 0.94 0.11 3.70 -7.23 -0.88 -5.04 120.40 113.36 3i3t s VAL 17 Ca -0.00 -2.02 0.06 0.00 -1.81 0.00 0.00 61.98 58.21 3i3t s VAL 17 Cb -0.17 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 3i3t s VAL 17 CO -0.02 -0.51 -0.05 -1.61 -0.31 0.00 0.00 175.10 172.60 3i3t s GLU 18 N -3.85 2.31 0.00 4.82 0.41 -1.26 -2.50 118.70 118.63 3i3t s GLU 18 Ca 0.23 -0.96 0.00 0.00 -0.41 0.00 0.00 54.97 53.83 3i3t s GLU 18 Cb 0.05 -2.40 0.00 0.00 -1.78 0.00 0.00 34.13 30.00 3i3t s GLU 18 CO 0.04 0.52 0.74 -2.30 -0.49 0.00 0.00 175.26 173.76 3i3t n PRO 19 N 0.58 0.00 0.00 0.39 -0.02 -1.26 -1.47 135.00 133.22 3i3t n PRO 19 Ca -0.12 0.27 0.06 0.00 -2.02 0.00 0.00 63.50 61.69 3i3t n PRO 19 Cb 0.52 -1.61 0.03 0.00 -0.02 0.00 0.00 33.50 32.42 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 -1.24 1.68 -4.70 2.55 7.64 -1.26 -0.07 113.62 118.23 3i3t n SER 20 Ca 0.00 -1.34 -0.44 0.00 1.01 0.00 0.00 58.87 58.10 3i3t n SER 20 Cb 0.11 0.23 -0.03 0.00 -1.01 0.00 0.00 64.21 63.50 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 0.25 3.50 -3.75 6.43 8.00 -0.54 -4.78 116.55 125.65 3i3t n ASP 21 Ca 0.06 1.09 -0.30 0.00 0.71 0.00 0.00 54.79 56.35 3i3t n ASP 21 Cb 0.28 -1.50 0.28 0.00 -0.02 0.00 0.00 41.12 40.15 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 0.83 1.44 0.11 -3.53 -4.23 -1.26 -1.59 115.64 107.41 3i3t s THR 22 Ca 0.75 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 61.31 3i3t s THR 22 Cb -0.59 -2.08 -0.22 0.00 1.34 0.00 0.00 72.50 70.94 3i3t s THR 22 CO 0.38 0.00 1.24 0.40 -0.54 0.00 0.00 174.62 176.09 3i3t h ILE 23 N -3.19 1.65 -0.85 2.99 5.03 -1.68 -3.04 117.51 118.42 3i3t h ILE 23 Ca -0.49 -3.35 0.08 0.00 -0.12 0.00 0.00 64.86 60.98 3i3t h ILE 23 Cb 1.34 2.85 -0.07 0.00 -3.03 0.00 0.00 36.82 37.91 3i3t h ILE 23 CO 0.35 0.95 0.52 -0.33 -0.68 0.00 0.00 178.15 178.96 3i3t h GLU 24 N 0.01 0.88 -0.07 2.37 3.07 -1.89 -2.18 114.58 116.79 3i3t h GLU 24 Ca -0.04 -0.05 0.03 0.00 -0.50 0.00 0.00 59.36 58.80 3i3t h GLU 24 Cb 1.81 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 29.49 3i3t h GLU 24 CO 0.14 0.58 -0.12 -0.91 -1.40 0.00 0.00 179.01 177.30 3i3t h ASN 25 N 0.91 -0.37 -0.42 1.42 -0.26 -1.91 0.24 115.58 115.19 3i3t h ASN 25 Ca 0.39 0.07 0.04 0.00 -0.56 0.00 0.00 56.30 56.23 3i3t h ASN 25 Cb 0.26 0.17 -0.04 0.00 -1.06 0.00 0.00 38.32 37.65 3i3t h ASN 25 CO -0.20 -0.17 0.19 0.58 -1.06 0.00 0.00 177.43 176.77 3i3t h VAL 26 N -0.18 0.94 -0.28 2.81 2.07 -1.41 -1.60 116.25 118.61 3i3t h VAL 26 Ca 0.07 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.40 3i3t h VAL 26 Cb 0.27 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3i3t h VAL 26 CO -0.17 0.07 -0.06 0.11 0.02 0.00 0.00 177.57 177.54 3i3t h LYS 27 N 0.39 0.44 -0.72 1.57 1.57 -1.10 0.01 116.57 118.73 3i3t h LYS 27 Ca 0.19 -0.10 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 3i3t h LYS 27 Cb 0.12 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.33 3i3t h LYS 27 CO -0.15 0.52 0.38 0.00 -0.57 0.00 0.00 179.45 179.63 3i3t h ALA 28 N 1.52 0.93 -0.09 3.86 0.00 0.06 0.29 119.26 125.83 3i3t h ALA 28 Ca 0.09 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3i3t h ALA 28 Cb 0.37 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3i3t h ALA 28 CO 0.02 0.46 -0.30 0.87 0.00 0.00 0.00 179.25 180.29 3i3t h LYS 29 N 1.00 0.16 0.02 0.00 1.79 -0.25 -2.21 116.57 117.07 3i3t h LYS 29 Ca 0.25 -0.06 -0.21 0.00 -2.18 0.00 0.00 60.65 58.46 3i3t h LYS 29 Cb 0.06 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 3i3t h LYS 29 CO -0.04 0.45 -0.93 0.82 -1.08 0.00 0.00 179.45 178.67 3i3t h ILE 30 N 0.14 1.51 0.23 1.86 2.04 0.07 -2.42 117.51 120.95 3i3t h ILE 30 Ca 0.02 -2.73 -0.01 0.00 1.00 0.00 0.00 64.86 63.13 3i3t h ILE 30 Cb 0.61 2.55 0.00 0.00 -0.74 0.00 0.00 36.82 39.24 3i3t h ILE 30 CO 0.04 0.80 -0.11 -0.61 0.00 0.00 0.00 178.15 178.27 3i3t h GLN 31 N 0.10 -0.30 -0.84 2.37 4.15 -0.32 -1.09 115.11 119.18 3i3t h GLN 31 Ca -0.05 0.02 0.15 0.00 0.77 0.00 0.00 58.65 59.54 3i3t h GLN 31 Cb 1.58 0.07 -0.06 0.00 0.21 0.00 0.00 27.48 29.28 3i3t h GLN 31 CO 0.14 -0.15 0.55 -0.44 -1.93 0.00 0.00 178.83 177.00 3i3t h ASP 32 N -0.38 0.52 0.55 -0.69 3.32 -1.34 0.98 116.42 119.38 3i3t h ASP 32 Ca -0.03 0.03 -0.22 0.00 0.02 0.00 0.00 57.03 56.83 3i3t h ASP 32 Cb 0.29 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.73 3i3t h ASP 32 CO 0.05 0.26 -1.62 1.17 -1.72 0.00 0.00 179.24 177.39 3i3t n LYS 33 N -4.52 0.63 0.00 3.56 4.81 -0.92 -4.65 118.16 117.07 3i3t n LYS 33 Ca 0.16 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.82 3i3t n LYS 33 Cb 0.52 -1.77 0.00 0.00 0.02 0.00 0.00 35.03 33.80 3i3t n LYS 33 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3i3t n GLU 34 N -2.91 1.89 -0.45 1.64 4.07 -0.42 -5.05 120.64 119.41 3i3t n GLU 34 Ca -0.14 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.96 3i3t n GLU 34 Cb 0.93 -0.88 0.00 0.00 -0.06 0.00 0.00 31.44 31.43 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 2.04 0.74 3.50 8.31 0.00 0.31 -5.03 105.19 115.07 3i3t n GLY 35 Ca 0.00 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 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 4.36 0.45 -0.61 1.01 -1.26 -5.02 121.20 118.14 3i3t s ILE 36 Ca 0.00 -0.17 -0.24 0.00 0.00 0.00 0.00 60.65 60.24 3i3t s ILE 36 Cb 0.00 -3.00 -0.07 0.00 0.01 0.00 0.00 42.46 39.39 3i3t s ILE 36 CO 0.00 0.39 1.24 -2.84 0.00 0.00 0.00 174.94 173.73 3i3t s PRO 37 N 1.09 3.75 0.24 2.79 0.02 -1.26 -4.00 135.00 137.63 3i3t s PRO 37 Ca 0.04 1.97 -0.08 0.00 0.02 0.00 0.00 61.00 62.95 3i3t s PRO 37 Cb -0.14 -2.51 0.41 0.00 0.02 0.00 0.00 34.50 32.27 3i3t s PRO 37 CO 0.03 -0.61 1.65 -1.35 -0.33 0.00 0.00 177.00 176.38 3i3t h PRO 38 N 2.20 0.13 0.00 5.54 0.11 -1.96 -1.94 132.00 136.08 3i3t h PRO 38 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3i3t h PRO 38 Cb 1.25 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3i3t h PRO 38 CO 0.61 0.08 0.00 -0.40 -0.21 0.00 0.00 178.00 178.08 3i3t n ASP 39 N -5.30 0.00 -0.00 -2.05 5.68 -1.26 -1.40 116.55 112.22 3i3t n ASP 39 Ca 0.12 0.45 0.06 0.00 -0.50 0.00 0.00 54.79 54.92 3i3t n ASP 39 Cb 0.44 -0.46 -0.08 0.00 -1.14 0.00 0.00 41.12 39.88 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 -1.46 2.57 -2.80 0.11 6.02 -0.74 -5.00 117.38 116.09 3i3t n GLN 40 Ca 0.02 -0.01 -0.40 0.00 -0.01 0.00 0.00 57.00 56.60 3i3t n GLN 40 Cb 0.06 -1.13 -0.05 0.00 1.02 0.00 0.00 30.24 30.14 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 -2.27 4.71 -0.11 -1.09 -0.21 -0.49 -4.30 119.66 115.90 3i3t s GLN 41 Ca 0.04 1.38 0.03 0.00 0.02 0.00 0.00 55.36 56.84 3i3t s GLN 41 Cb 0.10 -3.33 0.01 0.00 1.00 0.00 0.00 33.01 30.79 3i3t s GLN 41 CO 0.54 0.37 -0.21 1.03 -2.12 0.00 0.00 175.29 174.90 3i3t s ARG 42 N -0.55 2.76 -0.17 2.91 0.52 -0.62 -5.02 118.95 118.78 3i3t s ARG 42 Ca 0.43 -0.77 -0.05 0.00 -0.52 0.00 0.00 55.73 54.81 3i3t s ARG 42 Cb -0.24 -2.17 -0.03 0.00 0.52 0.00 0.00 34.95 33.03 3i3t s ARG 42 CO 0.29 0.07 0.01 -0.51 0.02 0.00 0.00 175.30 175.19 3i3t s LEU 43 N 0.61 3.54 -0.12 2.53 2.01 -1.26 -2.46 118.68 123.53 3i3t s LEU 43 Ca -0.13 -0.02 0.01 0.00 0.01 0.00 0.00 54.13 54.00 3i3t s LEU 43 Cb -0.17 -1.87 -0.01 0.00 0.01 0.00 0.00 46.19 44.15 3i3t s LEU 43 CO 0.04 0.18 -0.16 -0.63 1.01 0.00 0.00 176.35 176.78 3i3t s ILE 44 N 0.32 2.75 -0.04 -0.59 1.01 -0.41 -0.81 121.20 123.44 3i3t s ILE 44 Ca -0.00 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 59.89 3i3t s ILE 44 Cb -0.13 -2.13 0.02 0.00 0.01 0.00 0.00 42.46 40.23 3i3t s ILE 44 CO 0.02 0.53 -0.02 0.12 0.00 0.00 0.00 174.94 175.59 3i3t s PHE 45 N 0.36 0.50 -1.32 3.97 5.36 0.12 -0.49 117.98 126.47 3i3t s PHE 45 Ca -0.13 -0.09 -0.06 0.00 -0.96 0.00 0.00 56.93 55.69 3i3t s PHE 45 Cb -0.17 -0.52 0.04 0.00 -0.34 0.00 0.00 43.02 42.03 3i3t s PHE 45 CO 0.06 -0.16 0.43 0.00 -1.46 0.00 0.00 175.22 174.09 3i3t n ALA 46 N 4.14 -0.99 -0.77 11.12 0.00 -1.26 -0.28 120.51 132.47 3i3t n ALA 46 Ca -0.25 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3i3t n ALA 46 Cb 0.51 -2.82 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 -1.19 0.88 3.66 0.00 0.00 -1.26 -5.00 105.19 102.27 3i3t n GLY 47 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.23 3.28 -0.07 1.61 1.02 0.61 -5.09 119.74 120.87 3i3t s LYS 48 Ca 0.00 -0.39 -0.29 0.00 0.02 0.00 0.00 55.97 55.31 3i3t s LYS 48 Cb 0.00 -2.91 -0.02 0.00 -0.52 0.00 0.00 37.83 34.38 3i3t s LYS 48 CO 0.00 0.57 0.96 -1.14 -0.92 0.00 0.00 175.35 174.82 3i3t s GLN 49 N -0.51 4.46 0.03 1.68 0.74 -1.26 -0.70 119.66 124.09 3i3t s GLN 49 Ca 0.09 1.33 -0.29 0.00 0.05 0.00 0.00 55.36 56.55 3i3t s GLN 49 Cb -0.12 -3.51 -0.04 0.00 1.10 0.00 0.00 33.01 30.44 3i3t s GLN 49 CO 0.02 -0.20 0.92 -0.51 -0.55 0.00 0.00 175.29 174.97 3i3t s LEU 50 N 1.60 4.41 -0.06 3.68 1.02 0.01 -5.00 118.68 124.34 3i3t s LEU 50 Ca 0.48 1.62 -0.14 0.00 0.02 0.00 0.00 54.13 56.11 3i3t s LEU 50 Cb -0.19 -3.48 -0.05 0.00 0.02 0.00 0.00 46.19 42.49 3i3t s LEU 50 CO 0.21 -0.15 0.36 -1.61 0.02 0.00 0.00 176.35 175.17 3i3t s GLU 51 N 0.56 3.98 0.26 1.70 2.02 -1.26 -4.64 118.70 121.32 3i3t s GLU 51 Ca 0.47 0.28 -0.31 0.00 0.02 0.00 0.00 54.97 55.44 3i3t s GLU 51 Cb -0.21 -3.29 -0.12 0.00 0.10 0.00 0.00 34.13 30.61 3i3t s GLU 51 CO 0.27 0.54 1.61 -0.25 0.02 0.00 0.00 175.26 177.45 3i3t n ASP 52 N 2.44 3.75 0.00 -0.19 8.00 -1.26 -2.68 116.55 126.62 3i3t n ASP 52 Ca -0.13 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.49 3i3t n ASP 52 Cb 0.52 -1.57 0.00 0.00 -0.02 0.00 0.00 41.12 40.06 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 2.61 1.29 3.95 0.44 0.00 -1.26 -5.00 105.19 107.22 3i3t n GLY 53 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.01 0.90 0.23 1.61 1.81 -1.09 -4.92 118.95 117.47 3i3t s ARG 54 Ca 0.00 -0.64 0.08 0.00 -1.72 0.00 0.00 55.73 53.45 3i3t s ARG 54 Cb 0.00 -1.98 -0.05 0.00 -0.45 0.00 0.00 34.95 32.47 3i3t s ARG 54 CO 0.00 -2.16 -0.13 0.95 -0.68 0.00 0.00 175.30 173.28 3i3t s THR 55 N -3.68 1.76 0.25 0.02 -4.23 -1.26 -2.18 115.64 106.31 3i3t s THR 55 Ca 0.72 -2.20 -0.04 0.00 -1.18 0.00 0.00 61.69 58.99 3i3t s THR 55 Cb -0.04 -2.15 0.21 0.00 1.34 0.00 0.00 72.50 71.86 3i3t s THR 55 CO 0.51 -0.52 1.80 -0.07 -0.54 0.00 0.00 174.62 175.80 3i3t h LEU 56 N 2.48 0.64 -0.84 4.79 4.07 -1.35 0.12 115.31 125.21 3i3t h LEU 56 Ca -0.39 0.06 0.19 0.00 0.08 0.00 0.00 57.88 57.82 3i3t h LEU 56 Cb 1.23 -0.06 -0.16 0.00 1.08 0.00 0.00 40.66 42.75 3i3t h LEU 56 CO 0.63 0.35 -0.12 -1.28 -1.08 0.00 0.00 178.44 176.94 3i3t h SER 57 N 0.75 -0.62 0.02 -0.43 0.87 -0.74 -1.32 113.55 112.08 3i3t h SER 57 Ca 0.40 0.24 -0.00 0.00 -1.23 0.00 0.00 61.79 61.20 3i3t h SER 57 Cb 0.41 0.47 -0.00 0.00 -0.44 0.00 0.00 62.40 62.84 3i3t h SER 57 CO -0.27 -0.27 -0.01 0.44 -0.53 0.00 0.00 176.83 176.20 3i3t h ASP 58 N 0.03 0.00 -0.01 6.23 3.32 -1.24 -0.83 116.42 123.92 3i3t h ASP 58 Ca 0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.49 3i3t h ASP 58 Cb 0.74 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.29 3i3t h ASP 58 CO -0.83 0.01 -0.38 -1.22 -1.72 0.00 0.00 179.24 175.10 3i3t n TYR 59 N -3.98 0.00 -2.81 4.55 4.01 -1.10 -4.99 117.16 112.84 3i3t n TYR 59 Ca -0.03 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.63 3i3t n TYR 59 Cb 0.09 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.15 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 -0.01 -3.45 -4.58 7.72 2.85 -0.32 -4.98 115.26 112.49 3i3t n ASN 60 Ca 0.08 -0.17 -0.43 0.00 -0.11 0.00 0.00 54.58 53.95 3i3t n ASN 60 Cb 0.41 -2.06 -0.03 0.00 1.24 0.00 0.00 39.78 39.33 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 -3.04 4.29 0.45 -1.44 1.01 -0.51 -5.00 121.20 116.96 3i3t s ILE 61 Ca 0.19 0.95 0.07 0.00 0.00 0.00 0.00 60.65 61.86 3i3t s ILE 61 Cb -0.08 -4.56 -0.00 0.00 0.01 0.00 0.00 42.46 37.83 3i3t s ILE 61 CO 0.23 -1.00 0.39 -1.10 0.00 0.00 0.00 174.94 173.46 3i3t s GLN 62 N 4.23 2.42 0.22 2.79 -1.52 -1.26 -4.63 119.66 121.92 3i3t s GLN 62 Ca 0.42 -1.69 -0.29 0.00 -1.95 0.00 0.00 55.36 51.86 3i3t s GLN 62 Cb -0.09 -2.29 -0.16 0.00 -0.22 0.00 0.00 33.01 30.25 3i3t s GLN 62 CO 0.28 -0.32 0.72 1.17 -0.25 0.00 0.00 175.29 176.89 3i3t n LYS 63 N -1.61 0.47 -0.94 2.91 4.81 -1.26 -1.69 118.16 120.86 3i3t n LYS 63 Ca 0.03 0.17 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 3i3t n LYS 63 Cb 0.63 -1.32 0.00 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 0.96 -1.01 -1.93 1.64 1.02 0.17 -4.99 120.64 116.50 3i3t n GLU 64 Ca 0.15 0.25 -0.39 0.00 -0.02 0.00 0.00 57.16 57.16 3i3t n GLU 64 Cb 0.27 -4.16 0.02 0.00 -0.02 0.00 0.00 31.44 27.54 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 -2.07 5.82 -0.24 1.62 0.01 -0.68 -4.71 113.70 113.45 3i3t s SER 65 Ca 0.00 2.70 -0.06 0.00 1.31 0.00 0.00 55.95 59.90 3i3t s SER 65 Cb 0.00 -2.64 -0.02 0.00 0.21 0.00 0.00 66.02 63.57 3i3t s SER 65 CO 0.00 -1.19 0.03 -0.89 0.41 0.00 0.00 173.24 171.60 3i3t s THR 66 N -1.30 3.98 -0.01 1.44 2.01 -1.26 -0.84 115.64 119.65 3i3t s THR 66 Ca 0.64 -0.31 -0.10 0.00 0.31 0.00 0.00 61.69 62.23 3i3t s THR 66 Cb -0.39 -2.86 -0.05 0.00 0.01 0.00 0.00 72.50 69.21 3i3t s THR 66 CO 0.48 0.35 0.31 -0.76 -0.69 0.00 0.00 174.62 174.31 3i3t s LEU 67 N 1.56 4.41 -0.19 4.42 1.02 0.13 -4.76 118.68 125.28 3i3t s LEU 67 Ca 0.06 0.71 -0.05 0.00 0.02 0.00 0.00 54.13 54.88 3i3t s LEU 67 Cb -0.15 -2.56 -0.03 0.00 0.02 0.00 0.00 46.19 43.48 3i3t s LEU 67 CO 0.01 0.30 -0.01 -1.00 0.02 0.00 0.00 176.35 175.67 3i3t s HIS 68 N -1.18 3.04 -0.11 0.29 3.76 0.35 -0.24 115.29 121.20 3i3t s HIS 68 Ca 0.24 -0.40 -0.12 0.00 -0.15 0.00 0.00 55.06 54.63 3i3t s HIS 68 Cb -0.14 -2.04 -0.05 0.00 1.11 0.00 0.00 32.58 31.46 3i3t s HIS 68 CO 0.13 -0.17 0.27 -1.17 -0.85 0.00 0.00 174.74 172.95 3i3t s LEU 69 N 0.78 4.33 -0.00 0.89 2.96 -0.22 -1.29 118.68 126.14 3i3t s LEU 69 Ca -0.00 0.59 -0.18 0.00 -0.22 0.00 0.00 54.13 54.31 3i3t s LEU 69 Cb -0.14 -2.33 0.03 0.00 0.50 0.00 0.00 46.19 44.25 3i3t s LEU 69 CO 0.02 0.24 0.40 0.68 -1.32 0.00 0.00 176.35 176.37 3i3t s VAL 70 N -0.29 0.05 0.00 1.68 -7.23 -1.03 -4.43 120.40 109.16 3i3t s VAL 70 Ca 0.17 -0.41 0.00 0.00 -1.81 0.00 0.00 61.98 59.94 3i3t s VAL 70 Cb -0.13 -0.79 0.00 0.00 0.56 0.00 0.00 36.38 36.01 3i3t s VAL 70 CO 0.06 -0.22 0.00 0.18 -0.31 0.00 0.00 175.10 174.80 3i3t n LEU 71 N 0.95 0.00 -4.60 1.32 4.77 -1.26 -1.59 117.00 116.59 3i3t n LEU 71 Ca -0.20 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.44 3i3t n LEU 71 Cb 0.57 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.56 3i3t n LEU 71 CO 0.22 -0.12 -0.37 -0.13 -1.33 0.00 0.00 177.39 175.66 3i3t s ARG 72 N 0.95 2.75 -0.43 3.23 0.52 -1.26 -4.87 118.95 119.85 3i3t s ARG 72 Ca 0.00 -0.55 0.01 0.00 -0.52 0.00 0.00 55.73 54.67 3i3t s ARG 72 Cb 0.00 -2.61 0.12 0.00 0.52 0.00 0.00 34.95 32.98 3i3t s ARG 72 CO 0.00 0.66 0.18 -1.17 0.02 0.00 0.00 175.30 174.99 3i3t s LEU 73 N -0.94 4.85 0.20 2.53 2.96 -1.26 -5.07 118.68 121.96 3i3t s LEU 73 Ca 0.13 -2.39 -0.30 0.00 -0.22 0.00 0.00 54.13 51.35 3i3t s LEU 73 Cb -0.11 -1.71 -0.09 0.00 0.50 0.00 0.00 46.19 44.78 3i3t s LEU 73 CO 0.03 -0.39 1.30 -0.13 -1.32 0.00 0.00 176.35 175.83 3i3t s ARG 74 N 0.60 4.40 0.00 1.98 0.52 -1.26 -5.36 118.95 119.83 3i3t s ARG 74 Ca 0.12 2.04 0.00 0.00 -0.52 0.00 0.00 55.73 57.37 3i3t s ARG 74 Cb -0.22 -3.19 0.00 0.00 0.52 0.00 0.00 34.95 32.06 3i3t s ARG 74 CO -0.05 -0.23 0.28 0.41 0.02 0.00 0.00 175.30 175.73