#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i7u s LYS 2 N 0.00 4.37 -0.09 3.17 2.20 -1.26 -4.95 119.74 123.18 3i7u s LYS 2 Ca 0.00 2.12 0.02 0.00 -0.36 0.00 0.00 55.97 57.75 3i7u s LYS 2 Cb 0.00 -3.15 0.01 0.00 -1.51 0.00 0.00 37.83 33.18 3i7u s LYS 2 CO 0.00 -0.25 -0.15 0.15 -0.36 0.00 0.00 175.35 174.74 3i7u s LYS 3 N -0.56 2.06 -0.13 4.03 1.02 -1.26 -1.92 119.74 122.99 3i7u s LYS 3 Ca 0.55 -0.52 -0.01 0.00 0.02 0.00 0.00 55.97 56.01 3i7u s LYS 3 Cb -0.38 -1.72 -0.02 0.00 -0.52 0.00 0.00 37.83 35.19 3i7u s LYS 3 CO 0.42 -0.01 -0.10 -1.21 -0.92 0.00 0.00 175.35 173.53 3i7u s GLU 4 N 0.83 3.36 -0.20 1.68 2.02 0.11 -4.99 118.70 121.50 3i7u s GLU 4 Ca -0.10 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.26 3i7u s GLU 4 Cb -0.15 -2.70 0.02 0.00 0.10 0.00 0.00 34.13 31.40 3i7u s GLU 4 CO 0.01 0.29 -0.15 -0.06 0.02 0.00 0.00 175.26 175.38 3i7u s PHE 5 N 0.17 2.89 0.35 1.61 0.08 -1.26 -0.85 117.98 120.96 3i7u s PHE 5 Ca -0.05 -1.58 0.06 0.00 0.12 0.00 0.00 56.93 55.48 3i7u s PHE 5 Cb -0.15 -1.97 -0.07 0.00 -0.57 0.00 0.00 43.02 40.27 3i7u s PHE 5 CO 0.04 -0.76 0.01 -1.12 -0.10 0.00 0.00 175.22 173.29 3i7u s SER 6 N 1.31 3.08 -0.01 1.36 0.01 0.03 -1.20 113.70 118.28 3i7u s SER 6 Ca 0.03 -1.33 -0.04 0.00 1.31 0.00 0.00 55.95 55.92 3i7u s SER 6 Cb -0.14 -0.23 -0.00 0.00 0.21 0.00 0.00 66.02 65.86 3i7u s SER 6 CO -0.10 -0.48 0.08 0.00 0.41 0.00 0.00 173.24 173.15 3i7u s ALA 7 N -2.99 -0.17 0.31 1.44 0.00 -0.34 -1.09 121.76 118.92 3i7u s ALA 7 Ca 0.35 -0.09 -0.01 0.00 0.00 0.00 0.00 51.96 52.20 3i7u s ALA 7 Cb 0.08 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.20 3i7u s ALA 7 CO 0.16 -0.13 0.38 0.20 0.00 0.00 0.00 175.76 176.37 3i7u s GLY 8 N -0.82 1.56 0.03 0.00 0.00 0.76 -1.17 107.32 107.68 3i7u s GLY 8 Ca -0.09 -1.59 0.03 0.00 0.00 0.00 0.00 44.72 43.07 3i7u s GLY 8 CO 0.00 -1.12 -0.10 -0.32 0.00 0.00 0.00 173.10 171.56 3i7u s GLY 9 N -3.23 0.58 -0.36 0.20 0.00 -0.78 -1.49 107.32 102.23 3i7u s GLY 9 Ca 0.33 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.36 3i7u s GLY 9 CO 0.19 -0.71 0.10 0.14 0.00 0.00 0.00 173.10 172.83 3i7u s VAL 10 N -0.96 2.78 -0.16 1.40 1.01 -0.59 -4.14 120.40 119.74 3i7u s VAL 10 Ca -0.03 -2.10 -0.05 0.00 0.00 0.00 0.00 61.98 59.79 3i7u s VAL 10 Cb -0.08 -2.92 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 3i7u s VAL 10 CO 0.01 -0.57 0.01 -0.22 0.00 0.00 0.00 175.10 174.33 3i7u s LEU 11 N 1.05 3.57 0.02 3.92 0.20 -1.26 -1.10 118.68 125.07 3i7u s LEU 11 Ca 0.07 0.01 0.04 0.00 0.69 0.00 0.00 54.13 54.94 3i7u s LEU 11 Cb -0.21 -1.87 -0.03 0.00 -0.43 0.00 0.00 46.19 43.64 3i7u s LEU 11 CO -0.06 0.21 -0.07 -0.36 -0.29 0.00 0.00 176.35 175.78 3i7u s PHE 12 N 0.17 2.88 -0.07 5.38 0.08 -0.39 -0.98 117.98 125.04 3i7u s PHE 12 Ca 0.02 -0.05 -0.03 0.00 0.12 0.00 0.00 56.93 56.99 3i7u s PHE 12 Cb -0.13 -1.59 0.04 0.00 -0.57 0.00 0.00 43.02 40.78 3i7u s PHE 12 CO 0.02 0.38 0.14 0.21 -0.10 0.00 0.00 175.22 175.87 3i7u s LYS 13 N -1.54 0.02 -1.48 0.44 2.20 0.67 -1.84 119.74 118.21 3i7u s LYS 13 Ca 0.18 0.51 -0.13 0.00 -0.36 0.00 0.00 55.97 56.17 3i7u s LYS 13 Cb -0.11 -0.30 0.09 0.00 -1.51 0.00 0.00 37.83 35.99 3i7u s LYS 13 CO 0.09 -0.30 0.75 -0.25 -0.36 0.00 0.00 175.35 175.28 3i7u n ASP 14 N 5.20 -4.26 0.00 1.43 8.00 -1.26 -0.89 116.55 124.78 3i7u n ASP 14 Ca -0.07 -0.65 0.00 0.00 0.71 0.00 0.00 54.79 54.79 3i7u n ASP 14 Cb 0.50 -3.45 0.00 0.00 -0.02 0.00 0.00 41.12 38.15 3i7u n ASP 14 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i7u n GLY 15 N -1.44 0.99 3.69 0.44 0.00 -1.26 -5.04 105.19 102.58 3i7u n GLY 15 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 3i7u n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i7u s GLU 16 N -0.23 2.49 -0.02 1.61 2.02 -0.07 -4.28 118.70 120.22 3i7u s GLU 16 Ca 0.00 -1.20 0.01 0.00 0.02 0.00 0.00 54.97 53.81 3i7u s GLU 16 Cb 0.00 -2.34 -0.03 0.00 0.10 0.00 0.00 34.13 31.86 3i7u s GLU 16 CO 0.00 0.41 -0.02 0.54 0.02 0.00 0.00 175.26 176.21 3i7u s VAL 17 N -2.02 4.01 -0.23 2.63 0.11 -0.47 -0.24 120.40 124.18 3i7u s VAL 17 Ca 0.30 -0.57 -0.22 0.00 -2.93 0.00 0.00 61.98 58.56 3i7u s VAL 17 Cb -0.08 -2.74 -0.01 0.00 -1.53 0.00 0.00 36.38 32.01 3i7u s VAL 17 CO 0.20 0.44 0.71 -0.22 -3.33 0.00 0.00 175.10 172.91 3i7u s LEU 18 N -1.33 4.09 0.20 2.54 2.96 -0.15 -0.94 118.68 126.05 3i7u s LEU 18 Ca 0.17 0.88 0.09 0.00 -0.22 0.00 0.00 54.13 55.05 3i7u s LEU 18 Cb -0.11 -3.00 -0.04 0.00 0.50 0.00 0.00 46.19 43.53 3i7u s LEU 18 CO 0.07 -0.41 -0.18 -0.76 -1.32 0.00 0.00 176.35 173.76 3i7u s LEU 19 N 2.50 2.50 0.12 -0.68 1.43 -0.27 -4.60 118.68 119.68 3i7u s LEU 19 Ca 0.30 -0.93 0.11 0.00 -1.03 0.00 0.00 54.13 52.58 3i7u s LEU 19 Cb -0.16 -0.86 -0.04 0.00 0.03 0.00 0.00 46.19 45.16 3i7u s LEU 19 CO 0.09 -0.05 -0.27 0.27 0.23 0.00 0.00 176.35 176.62 3i7u s ILE 20 N -2.35 2.26 -0.39 -0.59 -4.36 0.21 -1.37 121.20 114.62 3i7u s ILE 20 Ca 0.20 -1.73 -0.14 0.00 -0.26 0.00 0.00 60.65 58.72 3i7u s ILE 20 Cb -0.04 -1.99 0.01 0.00 1.25 0.00 0.00 42.46 41.68 3i7u s ILE 20 CO 0.08 0.11 0.28 -0.75 0.24 0.00 0.00 174.94 174.90 3i7u s LYS 21 N -2.00 3.12 0.90 0.37 2.20 0.11 -0.16 119.74 124.29 3i7u s LYS 21 Ca 0.14 -0.91 -0.12 0.00 -0.36 0.00 0.00 55.97 54.72 3i7u s LYS 21 Cb -0.10 -3.92 0.13 0.00 -1.51 0.00 0.00 37.83 32.44 3i7u s LYS 21 CO 0.06 -0.66 1.13 0.95 -0.36 0.00 0.00 175.35 176.47 3i7u s THR 22 N 1.69 2.17 0.57 3.43 -4.23 -0.02 -0.69 115.64 118.55 3i7u s THR 22 Ca 0.05 0.05 0.28 0.00 -1.18 0.00 0.00 61.69 60.89 3i7u s THR 22 Cb -0.19 -2.78 0.39 0.00 1.34 0.00 0.00 72.50 71.27 3i7u s THR 22 CO 0.10 -0.07 1.97 -0.65 -0.54 0.00 0.00 174.62 175.43 3i7u h PRO 23 N -1.48 0.00 -0.14 3.99 0.11 -1.88 0.16 132.00 132.76 3i7u h PRO 23 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3i7u h PRO 23 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3i7u h PRO 23 CO 0.61 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.27 3i7u n SER 24 N -3.99 1.14 0.00 -2.05 3.41 -1.26 -4.89 113.62 105.98 3i7u n SER 24 Ca 0.08 -1.70 0.00 0.00 -0.26 0.00 0.00 58.87 56.99 3i7u n SER 24 Cb 0.60 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 3i7u n SER 24 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3i7u n ASN 25 N 0.00 -3.45 -4.73 4.04 3.02 0.56 -5.02 115.26 109.68 3i7u n ASN 25 Ca 0.14 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 54.30 3i7u n ASN 25 Cb 0.23 -1.06 -0.06 0.00 -0.61 0.00 0.00 39.78 38.28 3i7u n ASN 25 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i7u s VAL 26 N -1.86 5.13 0.07 2.41 1.01 -1.25 -4.78 120.40 121.12 3i7u s VAL 26 Ca 0.00 1.05 -0.28 0.00 0.00 0.00 0.00 61.98 62.76 3i7u s VAL 26 Cb 0.00 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 3i7u s VAL 26 CO 0.00 0.34 0.87 0.26 0.00 0.00 0.00 175.10 176.57 3i7u s TRP 27 N 0.49 3.76 0.00 5.22 0.52 -1.26 -0.84 118.94 126.84 3i7u s TRP 27 Ca 0.28 1.64 0.00 0.00 0.02 0.00 0.00 56.10 58.04 3i7u s TRP 27 Cb -0.16 -2.96 0.00 0.00 -1.15 0.00 0.00 33.47 29.21 3i7u s TRP 27 CO 0.12 0.22 0.00 0.45 0.02 0.00 0.00 176.95 177.76 3i7u n SER 28 N 2.90 0.00 -4.77 2.95 2.88 0.77 -4.38 113.62 113.97 3i7u n SER 28 Ca 0.00 -0.86 -0.32 0.00 -1.33 0.00 0.00 58.87 56.36 3i7u n SER 28 Cb 0.50 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.89 3i7u n SER 28 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 3i7u s PHE 29 N -4.94 3.24 0.38 0.66 0.08 -1.26 -0.61 117.98 115.53 3i7u s PHE 29 Ca 0.00 0.16 -0.27 0.00 0.12 0.00 0.00 56.93 56.94 3i7u s PHE 29 Cb 0.00 -1.70 -0.09 0.00 -0.57 0.00 0.00 43.02 40.66 3i7u s PHE 29 CO 0.00 0.53 1.32 -2.14 -0.10 0.00 0.00 175.22 174.83 3i7u s PRO 30 N -1.92 4.10 0.18 0.24 0.02 -1.26 -4.88 135.00 131.48 3i7u s PRO 30 Ca 0.25 2.21 -0.22 0.00 0.02 0.00 0.00 61.00 63.25 3i7u s PRO 30 Cb -0.12 -2.87 0.06 0.00 0.02 0.00 0.00 34.50 31.59 3i7u s PRO 30 CO 0.16 -0.40 0.62 -1.59 -0.33 0.00 0.00 177.00 175.46 3i7u s LYS 31 N -2.09 1.38 0.15 5.54 -2.85 -1.26 -1.87 119.74 118.74 3i7u s LYS 31 Ca 0.54 -0.57 -0.25 0.00 -1.00 0.00 0.00 55.97 54.69 3i7u s LYS 31 Cb -0.39 0.59 0.06 0.00 -2.06 0.00 0.00 37.83 36.03 3i7u s LYS 31 CO 0.51 -0.61 0.90 0.20 0.10 0.00 0.00 175.35 176.46 3i7u s GLY 32 N -2.78 -0.26 0.33 0.59 0.00 -0.31 -4.96 107.32 99.92 3i7u s GLY 32 Ca 0.03 0.19 -0.29 0.00 0.00 0.00 0.00 44.72 44.65 3i7u s GLY 32 CO -0.09 0.04 1.41 0.21 0.00 0.00 0.00 173.10 174.67 3i7u s ASN 33 N -2.87 6.58 -0.49 1.64 2.47 -1.26 -1.20 114.94 119.80 3i7u s ASN 33 Ca 0.11 2.83 -0.27 0.00 0.42 0.00 0.00 52.86 55.95 3i7u s ASN 33 Cb -0.02 -2.65 0.03 0.00 -1.45 0.00 0.00 41.25 37.16 3i7u s ASN 33 CO 0.01 -0.71 1.02 -0.63 -3.72 0.00 0.00 177.10 173.07 3i7u s ILE 34 N -0.84 4.34 0.65 -5.21 1.01 -0.34 -4.83 121.20 115.98 3i7u s ILE 34 Ca 0.53 0.84 -0.16 0.00 0.00 0.00 0.00 60.65 61.86 3i7u s ILE 34 Cb -0.43 -4.53 -0.01 0.00 0.01 0.00 0.00 42.46 37.51 3i7u s ILE 34 CO 0.54 -0.97 1.14 -1.61 0.00 0.00 0.00 174.94 174.04 3i7u s GLU 35 N 4.10 2.78 0.23 2.79 0.41 -1.26 -4.92 118.70 122.83 3i7u s GLU 35 Ca 0.40 1.54 -0.32 0.00 -0.41 0.00 0.00 54.97 56.19 3i7u s GLU 35 Cb -0.09 -1.93 -0.13 0.00 -1.78 0.00 0.00 34.13 30.20 3i7u s GLU 35 CO 0.27 -1.29 1.61 -2.30 -0.49 0.00 0.00 175.26 173.05 3i7u n PRO 36 N -2.20 2.50 -0.90 0.39 -0.02 -1.26 -1.32 135.00 132.18 3i7u n PRO 36 Ca 0.11 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.49 3i7u n PRO 36 Cb 0.51 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 3i7u n PRO 36 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i7u n GLY 37 N 3.06 0.64 3.59 -1.23 0.00 -1.26 -5.03 105.19 104.95 3i7u n GLY 37 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 3i7u n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i7u s GLU 38 N -0.10 3.26 0.36 1.61 2.12 -0.43 -5.10 118.70 120.42 3i7u s GLU 38 Ca 0.00 -0.48 -0.25 0.00 0.36 0.00 0.00 54.97 54.60 3i7u s GLU 38 Cb 0.00 -2.82 -0.10 0.00 0.26 0.00 0.00 34.13 31.48 3i7u s GLU 38 CO 0.00 0.49 1.00 0.15 -0.54 0.00 0.00 175.26 176.36 3i7u s LYS 39 N -0.31 4.39 0.50 4.30 1.02 -1.26 -4.75 119.74 123.63 3i7u s LYS 39 Ca 0.06 1.42 0.21 0.00 0.02 0.00 0.00 55.97 57.68 3i7u s LYS 39 Cb -0.12 -2.68 1.29 0.00 -0.52 0.00 0.00 37.83 35.79 3i7u s LYS 39 CO 0.02 0.08 2.01 -1.00 -0.92 0.00 0.00 175.35 175.54 3i7u h PRO 40 N 2.86 0.10 -0.28 -1.68 0.13 -1.99 0.79 132.00 131.93 3i7u h PRO 40 Ca -0.47 -0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 64.54 3i7u h PRO 40 Cb 1.20 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3i7u h PRO 40 CO 0.64 0.07 -0.26 0.93 -0.23 0.00 0.00 178.00 179.14 3i7u h GLU 41 N 0.10 0.56 -0.39 0.86 3.07 -1.98 -1.49 114.58 115.31 3i7u h GLU 41 Ca 0.23 -0.22 -0.14 0.00 -0.50 0.00 0.00 59.36 58.72 3i7u h GLU 41 Cb 0.78 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.65 3i7u h GLU 41 CO -0.02 0.77 -0.33 0.93 -1.40 0.00 0.00 179.01 178.96 3i7u h GLU 42 N 0.49 0.88 -0.22 2.33 5.08 -1.25 -2.26 114.58 119.63 3i7u h GLU 42 Ca 0.07 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 3i7u h GLU 42 Cb 0.71 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3i7u h GLU 42 CO 0.05 1.07 0.11 1.15 -1.00 0.00 0.00 179.01 180.40 3i7u h THR 43 N 0.73 1.13 -0.09 1.13 2.02 -1.04 -1.54 112.91 115.25 3i7u h THR 43 Ca 0.07 -0.37 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 3i7u h THR 43 Cb 0.90 0.98 -0.00 0.00 -1.74 0.00 0.00 68.15 68.28 3i7u h THR 43 CO 0.08 0.13 0.05 0.00 0.37 0.00 0.00 175.52 176.15 3i7u h ALA 44 N 0.98 0.12 -0.74 6.16 0.00 -1.20 0.37 119.26 124.95 3i7u h ALA 44 Ca 0.07 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3i7u h ALA 44 Cb 0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3i7u h ALA 44 CO -0.01 -0.36 0.36 0.28 0.00 0.00 0.00 179.25 179.52 3i7u h VAL 45 N 0.07 1.24 -0.00 0.00 2.07 -1.37 -1.36 116.25 116.90 3i7u h VAL 45 Ca 0.03 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.89 3i7u h VAL 45 Cb 0.06 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.14 3i7u h VAL 45 CO -0.01 0.28 0.00 -0.09 0.02 0.00 0.00 177.57 177.78 3i7u h ARG 46 N 1.04 0.00 -0.84 1.57 2.43 -1.08 -1.78 114.38 115.73 3i7u h ARG 46 Ca 0.25 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 3i7u h ARG 46 Cb 0.11 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 3i7u h ARG 46 CO -0.03 0.19 0.47 0.93 -1.51 0.00 0.00 179.97 180.02 3i7u h GLU 47 N -0.18 1.15 -0.58 0.20 4.39 -0.80 0.16 114.58 118.93 3i7u h GLU 47 Ca 0.00 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.55 3i7u h GLU 47 Cb 0.18 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.58 3i7u h GLU 47 CO -0.00 0.84 0.26 0.28 -1.16 0.00 0.00 179.01 179.23 3i7u h VAL 48 N 1.16 1.22 -0.40 3.13 2.07 -1.20 -0.50 116.25 121.73 3i7u h VAL 48 Ca 0.30 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 3i7u h VAL 48 Cb 0.01 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 3i7u h VAL 48 CO -0.05 0.25 0.10 -0.25 0.02 0.00 0.00 177.57 177.65 3i7u h TRP 49 N 0.79 0.67 -0.50 1.57 7.01 -0.65 -1.41 115.95 123.44 3i7u h TRP 49 Ca 0.20 -0.08 -0.13 0.00 2.11 0.00 0.00 58.89 60.99 3i7u h TRP 49 Cb 0.15 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.01 3i7u h TRP 49 CO 0.00 0.64 -0.19 0.93 -2.79 0.00 0.00 178.44 177.04 3i7u h GLU 50 N 0.51 1.00 0.00 2.65 5.08 -0.56 0.17 114.58 123.43 3i7u h GLU 50 Ca 0.13 -0.41 -0.12 0.00 -1.00 0.00 0.00 59.36 57.96 3i7u h GLU 50 Cb 0.30 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3i7u h GLU 50 CO 0.00 1.09 -0.57 0.93 -1.00 0.00 0.00 179.01 179.46 3i7u h GLU 51 N 0.87 0.00 0.00 2.33 4.39 -1.05 -3.39 114.58 117.73 3i7u h GLU 51 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 3i7u h GLU 51 Cb 0.76 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 3i7u h GLU 51 CO 0.06 0.57 -0.22 0.25 -1.16 0.00 0.00 179.01 178.50 3i7u n THR 52 N -3.26 0.00 -0.97 1.13 -2.24 -0.54 -2.36 114.28 106.04 3i7u n THR 52 Ca 0.02 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 3i7u n THR 52 Cb 0.75 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 3i7u n THR 52 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i7u n GLY 53 N 1.05 0.76 3.71 3.38 0.00 0.58 0.31 105.19 114.97 3i7u n GLY 53 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3i7u n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i7u s VAL 54 N -3.13 5.22 -0.20 1.61 1.01 -1.26 -3.91 120.40 119.74 3i7u s VAL 54 Ca 0.00 0.12 -0.13 0.00 0.00 0.00 0.00 61.98 61.97 3i7u s VAL 54 Cb 0.00 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 3i7u s VAL 54 CO 0.00 0.45 0.28 -0.75 0.00 0.00 0.00 175.10 175.08 3i7u s LYS 55 N 0.32 4.16 0.33 2.72 2.47 -0.29 -3.37 119.74 126.08 3i7u s LYS 55 Ca 0.07 -0.00 0.10 0.00 -1.56 0.00 0.00 55.97 54.58 3i7u s LYS 55 Cb -0.11 -3.50 -0.06 0.00 -1.46 0.00 0.00 37.83 32.69 3i7u s LYS 55 CO -0.01 0.09 -0.11 0.20 0.16 0.00 0.00 175.35 175.67 3i7u s GLY 56 N 0.85 2.10 -0.10 5.54 0.00 -1.26 -1.08 107.32 113.37 3i7u s GLY 56 Ca 0.14 -2.02 0.02 0.00 0.00 0.00 0.00 44.72 42.86 3i7u s GLY 56 CO 0.05 -2.00 -0.18 1.85 0.00 0.00 0.00 173.10 172.82 3i7u s GLU 57 N -3.59 3.06 0.11 2.90 2.12 -0.32 -4.90 118.70 118.09 3i7u s GLU 57 Ca 0.32 -0.78 -0.31 0.00 0.36 0.00 0.00 54.97 54.56 3i7u s GLU 57 Cb 0.00 -2.44 -0.09 0.00 0.26 0.00 0.00 34.13 31.87 3i7u s GLU 57 CO 0.16 0.28 1.55 0.42 -0.54 0.00 0.00 175.26 177.13 3i7u s ILE 58 N 0.15 2.95 -0.24 -3.70 -1.09 -1.26 -1.67 121.20 116.33 3i7u s ILE 58 Ca -0.10 0.59 -0.01 0.00 -2.23 0.00 0.00 60.65 58.91 3i7u s ILE 58 Cb -0.16 -3.38 -0.15 0.00 -1.58 0.00 0.00 42.46 37.20 3i7u s ILE 58 CO 0.06 0.03 -0.23 0.18 -1.23 0.00 0.00 174.94 173.75 3i7u n LEU 59 N 4.56 2.77 -3.60 2.97 4.77 0.64 -4.94 117.00 124.18 3i7u n LEU 59 Ca 0.14 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 3i7u n LEU 59 Cb 0.40 -0.81 -0.01 0.00 -2.33 0.00 0.00 43.42 40.67 3i7u n LEU 59 CO 0.61 0.83 1.12 -0.62 -1.33 0.00 0.00 177.39 178.01 3i7u s ASP 60 N -6.45 -0.05 0.00 -1.43 2.15 -1.19 -5.01 116.67 104.69 3i7u s ASP 60 Ca -0.32 -0.05 -0.29 0.00 0.43 0.00 0.00 52.55 52.32 3i7u s ASP 60 Cb 0.09 0.08 -0.04 0.00 -0.30 0.00 0.00 42.92 42.76 3i7u s ASP 60 CO 0.53 -0.15 0.92 -0.47 -0.17 0.00 0.00 175.17 175.83 3i7u s TYR 61 N -2.23 3.67 -0.19 -5.34 5.04 -1.26 -0.17 117.35 116.87 3i7u s TYR 61 Ca 0.13 1.62 -0.19 0.00 -2.44 0.00 0.00 57.07 56.19 3i7u s TYR 61 Cb 0.03 -3.05 -0.16 0.00 0.35 0.00 0.00 41.96 39.14 3i7u s TYR 61 CO -0.05 0.04 0.17 0.82 -1.34 0.00 0.00 175.55 175.19 3i7u h ILE 62 N 4.68 0.77 0.00 3.14 2.04 -1.38 -3.46 117.51 123.31 3i7u h ILE 62 Ca -0.41 -1.94 0.00 0.00 1.00 0.00 0.00 64.86 63.51 3i7u h ILE 62 Cb 1.21 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 39.11 3i7u h ILE 62 CO 0.75 0.26 0.00 0.61 0.00 0.00 0.00 178.15 179.77 3i7u n GLY 63 N 1.49 -1.46 3.06 5.37 0.00 -1.20 -4.92 105.19 107.52 3i7u n GLY 63 Ca -0.25 -1.22 -0.08 0.00 0.00 0.00 0.00 46.02 44.47 3i7u n GLY 63 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i7u s GLU 64 N -1.94 0.52 0.17 1.61 -1.05 -1.26 -0.95 118.70 115.79 3i7u s GLU 64 Ca 0.00 -1.01 0.03 0.00 -0.15 0.00 0.00 54.97 53.84 3i7u s GLU 64 Cb 0.00 0.16 -0.05 0.00 -0.44 0.00 0.00 34.13 33.80 3i7u s GLU 64 CO 0.00 -0.08 -0.04 0.96 0.95 0.00 0.00 175.26 177.04 3i7u s ILE 65 N -3.05 0.97 0.09 1.83 -5.25 -0.68 -4.97 121.20 110.13 3i7u s ILE 65 Ca -0.01 -2.02 -0.09 0.00 -0.99 0.00 0.00 60.65 57.54 3i7u s ILE 65 Cb 0.02 -2.05 -0.00 0.00 2.95 0.00 0.00 42.46 43.38 3i7u s ILE 65 CO -0.07 -0.56 0.19 -1.38 -1.79 0.00 0.00 174.94 171.33 3i7u s HIS 66 N -3.46 0.15 0.17 1.37 -3.43 -1.26 -0.75 115.29 108.08 3i7u s HIS 66 Ca 0.22 -0.58 -0.24 0.00 -0.80 0.00 0.00 55.06 53.66 3i7u s HIS 66 Cb 0.05 -0.06 0.06 0.00 -1.43 0.00 0.00 32.58 31.19 3i7u s HIS 66 CO 0.03 -0.54 0.74 1.52 -2.00 0.00 0.00 174.74 174.49 3i7u s TYR 67 N -3.86 -0.33 0.21 0.38 -0.85 0.16 -4.99 117.35 108.06 3i7u s TYR 67 Ca 0.05 0.04 0.11 0.00 -0.52 0.00 0.00 57.07 56.74 3i7u s TYR 67 Cb 0.05 0.62 -0.05 0.00 0.38 0.00 0.00 41.96 42.96 3i7u s TYR 67 CO -0.11 -0.93 -0.21 -1.58 -1.52 0.00 0.00 175.55 171.20 3i7u s TRP 68 N -3.64 2.16 0.20 -3.49 0.51 -1.26 -1.04 118.94 112.38 3i7u s TRP 68 Ca 0.07 -0.39 -0.18 0.00 -2.12 0.00 0.00 56.10 53.48 3i7u s TRP 68 Cb -0.03 -1.03 0.03 0.00 -0.81 0.00 0.00 33.47 31.63 3i7u s TRP 68 CO -0.03 0.51 0.55 1.52 -0.51 0.00 0.00 176.95 178.98 3i7u s TYR 69 N -2.03 -0.15 -0.06 -1.98 -0.85 -0.71 -5.00 117.35 106.57 3i7u s TYR 69 Ca 0.22 -0.20 0.03 0.00 -0.52 0.00 0.00 57.07 56.60 3i7u s TYR 69 Cb -0.06 0.43 -0.02 0.00 0.38 0.00 0.00 41.96 42.68 3i7u s TYR 69 CO 0.10 -0.94 -0.14 0.99 -1.52 0.00 0.00 175.55 174.04 3i7u s THR 70 N -3.87 3.09 -0.06 -3.49 2.01 -1.26 -0.50 115.64 111.57 3i7u s THR 70 Ca 0.09 -0.70 -0.02 0.00 0.31 0.00 0.00 61.69 61.37 3i7u s THR 70 Cb -0.01 -2.23 0.04 0.00 0.01 0.00 0.00 72.50 70.30 3i7u s THR 70 CO -0.02 0.58 0.10 -0.22 -0.69 0.00 0.00 174.62 174.37 3i7u s LEU 71 N -0.55 0.17 -1.42 4.42 2.96 -0.34 -4.83 118.68 119.10 3i7u s LEU 71 Ca 0.08 0.19 -0.08 0.00 -0.22 0.00 0.00 54.13 54.10 3i7u s LEU 71 Cb -0.12 0.06 0.04 0.00 0.50 0.00 0.00 46.19 46.67 3i7u s LEU 71 CO 0.01 -0.23 0.59 0.29 -1.32 0.00 0.00 176.35 175.69 3i7u n LYS 72 N 5.15 -4.29 -1.00 1.98 5.02 -1.26 -0.96 118.16 122.80 3i7u n LYS 72 Ca -0.07 0.68 -0.00 0.00 -2.02 0.00 0.00 58.31 56.90 3i7u n LYS 72 Cb 0.50 -5.47 -0.00 0.00 -0.02 0.00 0.00 35.03 30.04 3i7u n LYS 72 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i7u n GLY 73 N -1.38 0.43 3.61 0.72 0.00 -1.26 -5.03 105.19 102.29 3i7u n GLY 73 Ca -0.05 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 3i7u n GLY 73 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i7u s GLU 74 N -0.32 2.76 0.03 1.61 0.41 -0.14 -5.10 118.70 117.95 3i7u s GLU 74 Ca 0.00 -0.56 -0.25 0.00 -0.41 0.00 0.00 54.97 53.75 3i7u s GLU 74 Cb 0.00 -2.61 -0.05 0.00 -1.78 0.00 0.00 34.13 29.69 3i7u s GLU 74 CO 0.00 0.66 0.77 1.03 -0.49 0.00 0.00 175.26 177.23 3i7u s ARG 75 N -0.97 4.49 -0.03 1.61 1.81 -1.26 -1.19 118.95 123.41 3i7u s ARG 75 Ca 0.14 1.06 0.05 0.00 -1.72 0.00 0.00 55.73 55.26 3i7u s ARG 75 Cb -0.11 -3.38 -0.01 0.00 -0.45 0.00 0.00 34.95 31.00 3i7u s ARG 75 CO 0.03 0.23 -0.17 0.42 -0.68 0.00 0.00 175.30 175.13 3i7u s ILE 76 N 0.14 1.39 -0.15 1.52 1.01 0.35 -4.18 121.20 121.27 3i7u s ILE 76 Ca 0.39 -0.71 -0.05 0.00 0.00 0.00 0.00 60.65 60.28 3i7u s ILE 76 Cb -0.20 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 3i7u s ILE 76 CO 0.23 0.40 0.01 0.12 0.00 0.00 0.00 174.94 175.69 3i7u s PHE 77 N -0.11 3.15 -0.02 3.97 5.36 -0.81 -1.73 117.98 127.78 3i7u s PHE 77 Ca -0.00 -0.04 0.02 0.00 -0.96 0.00 0.00 56.93 55.96 3i7u s PHE 77 Cb -0.10 -1.96 0.00 0.00 -0.34 0.00 0.00 43.02 40.63 3i7u s PHE 77 CO 0.01 0.17 -0.08 0.21 -1.46 0.00 0.00 175.22 174.07 3i7u s LYS 78 N 0.04 0.81 0.05 10.12 2.20 -0.21 0.03 119.74 132.79 3i7u s LYS 78 Ca 0.03 -0.25 0.05 0.00 -0.36 0.00 0.00 55.97 55.43 3i7u s LYS 78 Cb -0.13 -0.78 -0.03 0.00 -1.51 0.00 0.00 37.83 35.39 3i7u s LYS 78 CO 0.02 0.09 -0.13 -0.08 -0.36 0.00 0.00 175.35 174.89 3i7u s THR 79 N 0.22 1.02 -0.04 3.43 -1.32 -0.03 -0.67 115.64 118.26 3i7u s THR 79 Ca -0.03 -1.13 0.00 0.00 -1.21 0.00 0.00 61.69 59.32 3i7u s THR 79 Cb -0.08 -0.97 0.03 0.00 -1.51 0.00 0.00 72.50 69.97 3i7u s THR 79 CO 0.00 -0.15 -0.01 -0.69 -2.21 0.00 0.00 174.62 171.57 3i7u s VAL 80 N -1.10 0.24 -0.09 5.08 1.01 0.07 -0.79 120.40 124.83 3i7u s VAL 80 Ca -0.02 0.06 -0.09 0.00 0.00 0.00 0.00 61.98 61.93 3i7u s VAL 80 Cb -0.09 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 3i7u s VAL 80 CO 0.02 0.17 0.22 -0.54 0.00 0.00 0.00 175.10 174.96 3i7u s LYS 81 N 1.10 3.60 0.00 2.72 1.02 -0.25 -1.68 119.74 126.25 3i7u s LYS 81 Ca -0.09 0.02 0.08 0.00 0.02 0.00 0.00 55.97 56.01 3i7u s LYS 81 Cb -0.14 -3.21 -0.02 0.00 -0.52 0.00 0.00 37.83 33.94 3i7u s LYS 81 CO -0.02 0.74 -0.26 0.71 -0.92 0.00 0.00 175.35 175.60 3i7u s TYR 82 N -0.99 2.28 0.01 3.18 2.02 -0.13 -0.17 117.35 123.55 3i7u s TYR 82 Ca 0.17 -0.42 0.08 0.00 -0.37 0.00 0.00 57.07 56.53 3i7u s TYR 82 Cb -0.13 -1.43 -0.02 0.00 -0.40 0.00 0.00 41.96 39.97 3i7u s TYR 82 CO 0.06 0.02 -0.24 0.71 -1.57 0.00 0.00 175.55 174.53 3i7u s TYR 83 N -0.67 2.14 0.09 2.71 2.02 -0.56 -0.93 117.35 122.15 3i7u s TYR 83 Ca 0.10 -0.40 -0.29 0.00 -0.37 0.00 0.00 57.07 56.11 3i7u s TYR 83 Cb -0.10 -1.33 -0.05 0.00 -0.40 0.00 0.00 41.96 40.07 3i7u s TYR 83 CO 0.00 0.03 0.94 -1.17 -1.57 0.00 0.00 175.55 173.78 3i7u s LEU 84 N -0.85 4.48 0.10 -1.29 2.96 0.76 -1.54 118.68 123.30 3i7u s LEU 84 Ca 0.10 1.75 0.03 0.00 -0.22 0.00 0.00 54.13 55.78 3i7u s LEU 84 Cb -0.09 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.01 3i7u s LEU 84 CO 0.00 -0.08 -0.09 -0.04 -1.32 0.00 0.00 176.35 174.82 3i7u s MET 85 N 0.10 0.86 0.04 1.98 -1.94 -0.26 -0.26 119.30 119.82 3i7u s MET 85 Ca 0.47 -1.22 0.08 0.00 -1.71 0.00 0.00 55.69 53.31 3i7u s MET 85 Cb -0.23 -0.46 -0.03 0.00 2.01 0.00 0.00 34.83 36.12 3i7u s MET 85 CO 0.29 0.06 -0.23 -1.59 -0.01 0.00 0.00 175.02 173.54 3i7u s LYS 86 N -3.11 1.93 0.39 2.03 -2.85 -0.67 -1.27 119.74 116.19 3i7u s LYS 86 Ca 0.08 -1.05 -0.28 0.00 -1.00 0.00 0.00 55.97 53.73 3i7u s LYS 86 Cb -0.01 -2.08 -0.10 0.00 -2.06 0.00 0.00 37.83 33.58 3i7u s LYS 86 CO -0.01 0.53 1.47 -0.47 0.10 0.00 0.00 175.35 176.97 3i7u s TYR 87 N -0.85 2.57 0.00 1.78 5.04 -0.76 -1.17 117.35 123.95 3i7u s TYR 87 Ca 0.13 1.19 0.00 0.00 -2.44 0.00 0.00 57.07 55.95 3i7u s TYR 87 Cb -0.10 -4.00 0.00 0.00 0.35 0.00 0.00 41.96 38.21 3i7u s TYR 87 CO 0.03 -2.97 0.00 1.63 -1.34 0.00 0.00 175.55 172.90 3i7u n LYS 88 N 0.34 0.00 -3.69 4.97 4.76 -0.24 -4.82 118.16 119.48 3i7u n LYS 88 Ca 0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 3i7u n LYS 88 Cb 0.40 -0.69 -0.01 0.00 -1.84 0.00 0.00 35.03 32.89 3i7u n LYS 88 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 3i7u s GLU 89 N -1.99 0.66 0.00 1.97 -1.05 -1.12 -5.01 118.70 112.16 3i7u s GLU 89 Ca 0.00 -0.37 0.00 0.00 -0.15 0.00 0.00 54.97 54.45 3i7u s GLU 89 Cb 0.00 0.22 0.00 0.00 -0.44 0.00 0.00 34.13 33.91 3i7u s GLU 89 CO 0.00 -0.30 0.00 0.41 0.95 0.00 0.00 175.26 176.32 3i7u n GLY 90 N -0.51 1.51 3.38 -3.83 0.00 -1.26 -1.14 105.19 103.33 3i7u n GLY 90 Ca -0.07 -1.88 -0.30 0.00 0.00 0.00 0.00 46.02 43.77 3i7u n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i7u s GLU 91 N -2.72 1.81 0.07 1.61 0.41 -1.25 -4.85 118.70 113.77 3i7u s GLU 91 Ca 0.00 -1.11 -0.31 0.00 -0.41 0.00 0.00 54.97 53.13 3i7u s GLU 91 Cb 0.00 -2.02 -0.10 0.00 -1.78 0.00 0.00 34.13 30.23 3i7u s GLU 91 CO 0.00 0.51 1.89 -2.30 -0.49 0.00 0.00 175.26 174.87 3i7u n PRO 92 N 1.61 2.72 -3.53 0.39 -0.02 -1.26 -4.34 135.00 130.58 3i7u n PRO 92 Ca -0.17 0.99 -0.15 0.00 -2.02 0.00 0.00 63.50 62.15 3i7u n PRO 92 Cb 0.52 -2.90 -0.12 0.00 -0.02 0.00 0.00 33.50 30.98 3i7u n PRO 92 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3i7u s ARG 93 N 3.46 0.20 0.48 -0.52 1.81 0.15 -4.92 118.95 119.61 3i7u s ARG 93 Ca 0.86 0.44 -0.22 0.00 -1.72 0.00 0.00 55.73 55.09 3i7u s ARG 93 Cb -0.50 -0.69 -0.07 0.00 -0.45 0.00 0.00 34.95 33.24 3i7u s ARG 93 CO 0.41 -0.53 1.16 -1.25 -0.68 0.00 0.00 175.30 174.42 3i7u s PRO 94 N 2.39 3.64 1.03 3.54 0.04 -1.26 -3.60 135.00 140.78 3i7u s PRO 94 Ca 0.06 1.76 -0.17 0.00 0.04 0.00 0.00 61.00 62.68 3i7u s PRO 94 Cb -0.14 -2.31 0.23 0.00 0.04 0.00 0.00 34.50 32.32 3i7u s PRO 94 CO -0.11 -0.65 1.29 -1.54 0.04 0.00 0.00 177.00 176.02 3i7u s SER 95 N -1.44 2.49 0.51 6.66 1.04 -1.00 -4.93 113.70 117.03 3i7u s SER 95 Ca 0.66 0.30 0.29 0.00 0.48 0.00 0.00 55.95 57.68 3i7u s SER 95 Cb -0.28 -0.34 1.32 0.00 0.10 0.00 0.00 66.02 66.81 3i7u s SER 95 CO 0.33 -3.12 1.99 -0.50 0.98 0.00 0.00 173.24 172.92 3i7u h TRP 96 N -1.91 0.00 0.00 5.02 4.06 -1.93 -3.00 115.95 118.19 3i7u h TRP 96 Ca -0.44 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.51 3i7u h TRP 96 Cb 1.24 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.40 3i7u h TRP 96 CO -1.54 0.13 0.00 0.93 -3.56 0.00 0.00 178.44 174.40 3i7u h GLU 97 N 0.00 0.00 -5.82 0.49 4.39 -1.96 -3.46 114.58 108.22 3i7u h GLU 97 Ca -0.00 0.00 -0.50 0.00 0.34 0.00 0.00 59.36 59.20 3i7u h GLU 97 Cb 0.49 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 28.98 3i7u h GLU 97 CO 0.02 0.00 -0.76 0.14 -1.16 0.00 0.00 179.01 177.25 3i7u s VAL 98 N -3.32 1.86 0.10 3.13 -7.23 -1.13 -4.55 120.40 109.25 3i7u s VAL 98 Ca 0.06 -2.09 0.05 0.00 -1.81 0.00 0.00 61.98 58.19 3i7u s VAL 98 Cb 0.07 -1.97 -0.23 0.00 0.56 0.00 0.00 36.38 34.81 3i7u s VAL 98 CO 0.61 -0.44 1.20 0.11 -0.31 0.00 0.00 175.10 176.27 3i7u h LYS 99 N 2.87 0.06 -2.56 4.82 1.57 -1.17 -3.40 116.57 118.77 3i7u h LYS 99 Ca -0.40 -0.11 0.06 0.00 -1.87 0.00 0.00 60.65 58.33 3i7u h LYS 99 Cb 1.22 0.04 -0.14 0.00 0.08 0.00 0.00 32.23 33.43 3i7u h LYS 99 CO 0.56 1.02 0.39 0.34 -0.57 0.00 0.00 179.45 181.19 3i7u s ASP 100 N -6.77 -0.43 -0.04 0.86 2.15 -1.24 -4.94 116.67 106.27 3i7u s ASP 100 Ca -0.01 -0.03 -0.01 0.00 0.43 0.00 0.00 52.55 52.94 3i7u s ASP 100 Cb 0.09 0.47 0.03 0.00 -0.30 0.00 0.00 42.92 43.21 3i7u s ASP 100 CO 0.83 -0.77 0.03 0.00 -0.17 0.00 0.00 175.17 175.09 3i7u s ALA 101 N -3.37 0.27 0.04 3.66 0.00 -1.26 -0.71 121.76 120.39 3i7u s ALA 101 Ca 0.04 0.17 -0.22 0.00 0.00 0.00 0.00 51.96 51.95 3i7u s ALA 101 Cb -0.01 -0.46 0.05 0.00 0.00 0.00 0.00 23.12 22.70 3i7u s ALA 101 CO -0.10 -0.28 0.51 0.21 0.00 0.00 0.00 175.76 176.10 3i7u s LYS 102 N 1.56 1.01 0.03 0.00 2.20 -0.47 -4.60 119.74 119.47 3i7u s LYS 102 Ca -0.03 -0.23 -0.17 0.00 -0.36 0.00 0.00 55.97 55.18 3i7u s LYS 102 Cb -0.13 0.46 -0.06 0.00 -1.51 0.00 0.00 37.83 36.59 3i7u s LYS 102 CO -0.03 -0.36 0.50 -0.06 -0.36 0.00 0.00 175.35 175.04 3i7u s PHE 103 N -2.37 3.75 0.03 4.03 0.08 -1.26 -1.11 117.98 121.13 3i7u s PHE 103 Ca -0.06 1.13 0.03 0.00 0.12 0.00 0.00 56.93 58.16 3i7u s PHE 103 Cb -0.01 -2.42 -0.02 0.00 -0.57 0.00 0.00 43.02 40.00 3i7u s PHE 103 CO -0.01 0.57 -0.09 -0.06 -0.10 0.00 0.00 175.22 175.53 3i7u s PHE 104 N -0.94 0.83 0.50 0.36 0.08 -0.11 -4.92 117.98 113.78 3i7u s PHE 104 Ca 0.27 -0.34 -0.23 0.00 0.12 0.00 0.00 56.93 56.76 3i7u s PHE 104 Cb -0.18 -0.50 -0.06 0.00 -0.57 0.00 0.00 43.02 41.71 3i7u s PHE 104 CO 0.16 -0.02 1.29 -2.14 -0.10 0.00 0.00 175.22 174.41 3i7u s PRO 105 N -1.02 3.45 0.27 0.24 0.02 -1.26 -1.37 135.00 135.33 3i7u s PRO 105 Ca -0.02 2.08 0.01 0.00 0.02 0.00 0.00 61.00 63.08 3i7u s PRO 105 Cb -0.07 -2.37 0.62 0.00 0.02 0.00 0.00 34.50 32.69 3i7u s PRO 105 CO 0.01 -0.90 1.71 0.82 -0.33 0.00 0.00 177.00 178.31 3i7u h ILE 106 N 1.72 0.56 -0.36 2.83 2.04 -1.96 -0.78 117.51 121.57 3i7u h ILE 106 Ca -0.50 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 65.23 3i7u h ILE 106 Cb 1.28 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 3i7u h ILE 106 CO 0.59 0.08 0.17 0.50 0.00 0.00 0.00 178.15 179.49 3i7u h LYS 107 N 0.44 0.35 -0.39 2.37 3.64 -1.96 -1.39 116.57 119.63 3i7u h LYS 107 Ca 0.50 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.78 3i7u h LYS 107 Cb 0.87 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 3i7u h LYS 107 CO -0.47 0.23 -0.08 1.49 -2.27 0.00 0.00 179.45 178.35 3i7u h GLU 108 N 0.36 0.75 -0.97 1.90 4.81 -1.67 -3.12 114.58 116.63 3i7u h GLU 108 Ca 0.15 -0.28 0.02 0.00 -0.13 0.00 0.00 59.36 59.12 3i7u h GLU 108 Cb 0.07 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 3i7u h GLU 108 CO -0.11 0.88 0.64 0.00 -0.73 0.00 0.00 179.01 179.69 3i7u h ALA 109 N 0.84 1.25 -0.75 2.92 0.00 -0.93 -1.68 119.26 120.93 3i7u h ALA 109 Ca 0.10 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3i7u h ALA 109 Cb 0.59 -0.37 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 3i7u h ALA 109 CO 0.04 0.58 0.49 0.87 0.00 0.00 0.00 179.25 181.23 3i7u h LYS 110 N 1.28 0.91 -0.01 0.00 1.57 -1.20 -1.91 116.57 117.21 3i7u h LYS 110 Ca 0.37 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.93 3i7u h LYS 110 Cb -0.09 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.00 3i7u h LYS 110 CO -0.10 0.60 -0.74 0.87 -0.57 0.00 0.00 179.45 179.51 3i7u h LYS 111 N 0.93 0.11 -0.00 3.15 1.57 -1.33 -3.29 116.57 117.71 3i7u h LYS 111 Ca 0.29 -0.10 -0.20 0.00 -1.87 0.00 0.00 60.65 58.77 3i7u h LYS 111 Cb 0.02 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3i7u h LYS 111 CO -0.08 0.80 -0.88 -0.07 -0.57 0.00 0.00 179.45 178.65 3i7u h LEU 112 N 0.07 0.36 -9.90 2.94 3.38 -0.62 -3.46 115.31 108.09 3i7u h LEU 112 Ca -0.02 -0.29 -0.55 0.00 0.09 0.00 0.00 57.88 57.11 3i7u h LEU 112 Cb 1.31 -0.11 0.12 0.00 0.09 0.00 0.00 40.66 42.06 3i7u h LEU 112 CO 0.11 1.08 0.66 0.18 0.09 0.00 0.00 178.44 180.55 3i7u n LEU 113 N -3.70 4.52 0.00 1.67 4.77 -0.79 -4.43 117.00 119.04 3i7u n LEU 113 Ca -0.05 1.18 0.00 0.00 -0.03 0.00 0.00 56.01 57.11 3i7u n LEU 113 Cb 0.81 -1.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.32 3i7u n LEU 113 CO 0.49 -0.17 -0.38 0.29 -1.33 0.00 0.00 177.39 176.29 3i7u n LYS 114 N 0.23 0.00 -1.73 3.23 4.76 -1.26 -4.98 118.16 118.41 3i7u n LYS 114 Ca 0.04 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.05 3i7u n LYS 114 Cb 0.39 -0.48 -0.02 0.00 -1.84 0.00 0.00 35.03 33.08 3i7u n LYS 114 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3i7u n TYR 115 N -2.75 2.68 -0.20 2.13 4.01 -1.26 -4.88 117.16 116.89 3i7u n TYR 115 Ca 0.00 0.29 -0.03 0.00 -0.16 0.00 0.00 57.90 58.00 3i7u n TYR 115 Cb 0.38 -2.57 0.07 0.00 -0.31 0.00 0.00 39.34 36.91 3i7u n TYR 115 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3i7u h LYS 116 N 4.75 0.57 -0.78 -0.72 3.64 -2.00 -2.11 116.57 119.92 3i7u h LYS 116 Ca -0.46 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 58.95 3i7u h LYS 116 Cb 1.24 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.87 3i7u h LYS 116 CO 0.79 0.37 0.46 0.78 -2.27 0.00 0.00 179.45 179.58 3i7u h GLY 117 N 0.58 1.17 0.98 5.01 0.00 -1.97 -1.59 103.07 107.26 3i7u h GLY 117 Ca 0.26 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 3i7u h GLY 117 CO -0.17 0.19 0.28 -0.55 0.00 0.00 0.00 176.54 176.28 3i7u h ASP 118 N 0.82 0.72 -0.50 0.19 3.32 -1.77 -1.17 116.42 118.03 3i7u h ASP 118 Ca 0.35 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.27 3i7u h ASP 118 Cb 0.23 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 3i7u h ASP 118 CO -0.20 0.64 0.27 0.11 -1.72 0.00 0.00 179.24 178.34 3i7u h LYS 119 N 0.75 0.70 -0.23 3.56 1.57 -0.95 0.16 116.57 122.12 3i7u h LYS 119 Ca 0.19 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 3i7u h LYS 119 Cb 0.10 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3i7u h LYS 119 CO -0.03 0.55 0.10 0.93 -0.57 0.00 0.00 179.45 180.44 3i7u h GLU 120 N 0.66 0.34 -0.78 3.15 5.08 -1.13 -1.83 114.58 120.07 3i7u h GLU 120 Ca 0.17 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 3i7u h GLU 120 Cb 0.07 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3i7u h GLU 120 CO -0.03 0.37 0.29 0.82 -1.00 0.00 0.00 179.01 179.47 3i7u h ILE 121 N 0.24 1.26 -0.52 3.13 1.08 -1.03 -2.52 117.51 119.15 3i7u h ILE 121 Ca 0.08 -0.86 -0.08 0.00 -0.39 0.00 0.00 64.86 63.61 3i7u h ILE 121 Cb 0.15 0.35 -0.02 0.00 -3.07 0.00 0.00 36.82 34.23 3i7u h ILE 121 CO -0.01 0.35 0.00 0.15 -0.69 0.00 0.00 178.15 177.95 3i7u h PHE 122 N 1.15 0.94 -0.13 1.37 3.57 -0.53 0.74 116.94 124.05 3i7u h PHE 122 Ca 0.26 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.62 3i7u h PHE 122 Cb 0.25 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 3i7u h PHE 122 CO 0.02 0.86 0.08 0.93 -2.23 0.00 0.00 178.31 177.97 3i7u h GLU 123 N 0.82 0.17 -0.78 1.11 5.08 -1.08 -0.64 114.58 119.26 3i7u h GLU 123 Ca 0.16 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 3i7u h GLU 123 Cb 0.48 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 3i7u h GLU 123 CO 0.02 0.13 0.31 0.87 -1.00 0.00 0.00 179.01 179.34 3i7u h LYS 124 N 0.17 1.17 -0.82 2.33 1.57 -1.16 -2.76 116.57 117.06 3i7u h LYS 124 Ca 0.05 -0.21 0.02 0.00 -1.87 0.00 0.00 60.65 58.63 3i7u h LYS 124 Cb -0.01 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.07 3i7u h LYS 124 CO -0.01 0.95 0.54 0.00 -0.57 0.00 0.00 179.45 180.36 3i7u h ALA 125 N 1.16 1.06 -0.25 3.86 0.00 -0.44 -1.75 119.26 122.91 3i7u h ALA 125 Ca 0.26 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 3i7u h ALA 125 Cb 0.22 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3i7u h ALA 125 CO -0.02 0.42 -0.12 -0.07 0.00 0.00 0.00 179.25 179.45 3i7u h LEU 126 N 1.08 0.39 -0.25 0.00 3.38 -0.85 -0.38 115.31 118.69 3i7u h LEU 126 Ca 0.31 -0.09 -0.21 0.00 0.09 0.00 0.00 57.88 57.98 3i7u h LEU 126 Cb -0.08 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3i7u h LEU 126 CO -0.08 0.55 -0.86 0.11 0.09 0.00 0.00 178.44 178.25 3i7u h LYS 127 N 0.38 0.45 -0.11 1.13 1.57 -1.26 -3.31 116.57 115.42 3i7u h LYS 127 Ca 0.07 -0.43 -0.23 0.00 -1.87 0.00 0.00 60.65 58.19 3i7u h LYS 127 Cb 0.45 0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.88 3i7u h LYS 127 CO 0.03 1.08 -0.83 1.25 -0.57 0.00 0.00 179.45 180.40 3i7u h LEU 128 N 0.28 0.89 -2.46 2.94 5.85 -1.03 -3.26 115.31 118.52 3i7u h LEU 128 Ca -0.06 -0.61 -0.01 0.00 0.84 0.00 0.00 57.88 58.04 3i7u h LEU 128 Cb 1.47 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 3i7u h LEU 128 CO 0.15 1.41 -0.03 0.07 -0.34 0.00 0.00 178.44 179.70 3i7u h LYS 129 N 0.48 0.00 -0.90 1.25 2.10 -1.16 -2.59 116.57 115.75 3i7u h LYS 129 Ca -0.07 0.00 0.19 0.00 -2.00 0.00 0.00 60.65 58.77 3i7u h LYS 129 Cb 1.46 0.00 -0.07 0.00 -0.90 0.00 0.00 32.23 32.72 3i7u h LYS 129 CO 0.17 0.03 0.59 0.93 -2.00 0.00 0.00 179.45 179.16 3i7u h GLU 130 N 0.00 0.48 -0.09 0.07 4.39 -1.66 0.02 114.58 117.79 3i7u h GLU 130 Ca -0.00 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.63 3i7u h GLU 130 Cb 0.13 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 3i7u h GLU 130 CO 0.00 0.32 -0.11 0.87 -1.16 0.00 0.00 179.01 178.93 3i7u h LYS 131 N 0.50 0.14 -0.56 2.33 1.57 -1.69 -2.66 116.57 116.20 3i7u h LYS 131 Ca 0.47 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 3i7u h LYS 131 Cb 1.04 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.33 3i7u h LYS 131 CO -0.20 0.27 0.00 1.19 -0.57 0.00 0.00 179.45 180.14 3i7u n PHE 132 N -4.33 0.74 -3.64 -1.35 3.01 -0.06 -5.00 117.46 106.83 3i7u n PHE 132 Ca -0.01 -0.43 -0.24 0.00 1.01 0.00 0.00 57.45 57.78 3i7u n PHE 132 Cb 0.23 -0.01 0.01 0.00 -0.01 0.00 0.00 39.48 39.71 3i7u n PHE 132 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 3i7u n LYS 133 N 1.35 -1.26 0.00 -1.08 2.85 -0.85 -5.12 118.16 114.05 3i7u n LYS 133 Ca 0.20 0.76 0.08 0.00 -1.05 0.00 0.00 58.31 58.31 3i7u n LYS 133 Cb 0.57 -3.54 0.07 0.00 -0.65 0.00 0.00 35.03 31.48 3i7u n LYS 133 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63