#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 1.10 0.09 2.12 2.20 -0.71 -5.00 119.74 119.54 3i7u s LYS 2 Ca 0.00 -0.87 0.04 0.00 -0.36 0.00 0.00 55.97 54.78 3i7u s LYS 2 Cb 0.00 0.44 -0.04 0.00 -1.51 0.00 0.00 37.83 36.72 3i7u s LYS 2 CO 0.00 -0.42 0.06 0.15 -0.36 0.00 0.00 175.35 174.78 3i7u s LYS 3 N -3.86 2.78 -0.02 4.03 1.02 -1.26 -0.57 119.74 121.85 3i7u s LYS 3 Ca 0.07 -0.76 0.03 0.00 0.02 0.00 0.00 55.97 55.33 3i7u s LYS 3 Cb 0.02 -2.66 -0.00 0.00 -0.52 0.00 0.00 37.83 34.67 3i7u s LYS 3 CO -0.08 0.55 -0.09 -2.00 -0.92 0.00 0.00 175.35 172.81 3i7u s GLU 4 N -2.44 0.90 -0.08 1.68 2.12 -0.10 -4.86 118.70 115.93 3i7u s GLU 4 Ca 0.28 -0.33 0.04 0.00 0.36 0.00 0.00 54.97 55.32 3i7u s GLU 4 Cb -0.12 -0.85 0.00 0.00 0.26 0.00 0.00 34.13 33.42 3i7u s GLU 4 CO 0.21 0.16 -0.20 -0.06 -0.54 0.00 0.00 175.26 174.82 3i7u s PHE 5 N 0.01 2.16 0.08 5.30 0.08 -1.26 -1.26 117.98 123.09 3i7u s PHE 5 Ca -0.00 -0.81 -0.02 0.00 0.12 0.00 0.00 56.93 56.22 3i7u s PHE 5 Cb -0.07 -1.46 -0.03 0.00 -0.57 0.00 0.00 43.02 40.89 3i7u s PHE 5 CO 0.00 -0.32 0.04 -1.12 -0.10 0.00 0.00 175.22 173.72 3i7u s SER 6 N 0.32 0.37 0.00 1.36 0.01 -0.54 -1.27 113.70 113.94 3i7u s SER 6 Ca -0.14 -1.01 -0.15 0.00 1.31 0.00 0.00 55.95 55.95 3i7u s SER 6 Cb -0.16 0.26 0.03 0.00 0.21 0.00 0.00 66.02 66.35 3i7u s SER 6 CO 0.06 -0.67 0.33 0.00 0.41 0.00 0.00 173.24 173.37 3i7u s ALA 7 N -3.95 -0.82 0.00 1.44 0.00 -0.37 -1.62 121.76 116.44 3i7u s ALA 7 Ca 0.12 0.29 0.00 0.00 0.00 0.00 0.00 51.96 52.37 3i7u s ALA 7 Cb 0.07 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.34 3i7u s ALA 7 CO -0.06 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.80 3i7u n GLY 8 N 1.04 2.54 3.21 0.00 0.00 -0.37 -1.55 105.19 110.06 3i7u n GLY 8 Ca -0.21 -1.13 -0.09 0.00 0.00 0.00 0.00 46.02 44.59 3i7u n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i7u s GLY 9 N -0.91 0.31 -0.43 -0.02 0.00 -0.91 -1.69 107.32 103.67 3i7u s GLY 9 Ca 0.00 -0.84 -0.04 0.00 0.00 0.00 0.00 44.72 43.84 3i7u s GLY 9 CO 0.00 -0.94 0.25 0.14 0.00 0.00 0.00 173.10 172.55 3i7u s VAL 10 N -3.91 3.52 -0.16 1.40 1.01 -0.55 -4.21 120.40 117.50 3i7u s VAL 10 Ca 0.10 -2.05 -0.06 0.00 0.00 0.00 0.00 61.98 59.97 3i7u s VAL 10 Cb 0.05 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 3i7u s VAL 10 CO -0.07 -0.72 0.03 -0.22 0.00 0.00 0.00 175.10 174.11 3i7u s LEU 11 N 1.12 3.66 -0.06 3.92 0.20 -1.26 -0.94 118.68 125.32 3i7u s LEU 11 Ca 0.08 0.05 0.03 0.00 0.69 0.00 0.00 54.13 54.98 3i7u s LEU 11 Cb -0.23 -1.90 -0.03 0.00 -0.43 0.00 0.00 46.19 43.60 3i7u s LEU 11 CO -0.03 0.21 -0.13 -0.36 -0.29 0.00 0.00 176.35 175.74 3i7u s PHE 12 N 0.14 2.74 -0.10 5.38 0.08 -0.56 -1.03 117.98 124.63 3i7u s PHE 12 Ca 0.03 -0.18 -0.02 0.00 0.12 0.00 0.00 56.93 56.88 3i7u s PHE 12 Cb -0.13 -1.66 0.04 0.00 -0.57 0.00 0.00 43.02 40.70 3i7u s PHE 12 CO 0.01 0.17 0.02 0.21 -0.10 0.00 0.00 175.22 175.53 3i7u s LYS 13 N -0.64 0.54 -1.41 0.44 2.20 0.24 -1.42 119.74 119.69 3i7u s LYS 13 Ca 0.10 0.00 -0.08 0.00 -0.36 0.00 0.00 55.97 55.63 3i7u s LYS 13 Cb -0.11 -1.24 0.05 0.00 -1.51 0.00 0.00 37.83 35.02 3i7u s LYS 13 CO 0.01 -0.40 0.59 -0.25 -0.36 0.00 0.00 175.35 174.95 3i7u n ASP 14 N 5.15 -4.75 0.00 1.43 8.00 -1.26 -1.17 116.55 123.96 3i7u n ASP 14 Ca -0.07 -0.39 0.00 0.00 0.71 0.00 0.00 54.79 55.04 3i7u n ASP 14 Cb 0.49 -3.87 0.00 0.00 -0.02 0.00 0.00 41.12 37.73 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 -1.37 1.32 3.90 0.44 0.00 -1.26 -5.04 105.19 103.18 3i7u n GLY 15 Ca -0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.36 3.23 -0.01 1.61 2.02 -0.31 -4.13 118.70 120.74 3i7u s GLU 16 Ca 0.00 -0.76 0.03 0.00 0.02 0.00 0.00 54.97 54.26 3i7u s GLU 16 Cb 0.00 -2.81 -0.03 0.00 0.10 0.00 0.00 34.13 31.39 3i7u s GLU 16 CO 0.00 0.48 -0.10 0.54 0.02 0.00 0.00 175.26 176.20 3i7u s VAL 17 N -1.85 3.44 -0.29 2.63 0.11 -0.11 -0.59 120.40 123.75 3i7u s VAL 17 Ca 0.33 -0.78 -0.26 0.00 -2.93 0.00 0.00 61.98 58.35 3i7u s VAL 17 Cb -0.10 -2.45 0.00 0.00 -1.53 0.00 0.00 36.38 32.31 3i7u s VAL 17 CO 0.27 0.45 0.90 -0.22 -3.33 0.00 0.00 175.10 173.17 3i7u s LEU 18 N -1.21 4.05 0.25 2.54 2.96 -0.20 -1.07 118.68 126.00 3i7u s LEU 18 Ca 0.15 0.93 0.12 0.00 -0.22 0.00 0.00 54.13 55.11 3i7u s LEU 18 Cb -0.11 -3.28 -0.05 0.00 0.50 0.00 0.00 46.19 43.26 3i7u s LEU 18 CO 0.05 -0.67 -0.20 -0.76 -1.32 0.00 0.00 176.35 173.45 3i7u s LEU 19 N 3.14 2.57 0.22 -0.68 1.43 0.11 -4.60 118.68 120.87 3i7u s LEU 19 Ca 0.38 -0.96 0.09 0.00 -1.03 0.00 0.00 54.13 52.61 3i7u s LEU 19 Cb -0.14 -1.16 -0.05 0.00 0.03 0.00 0.00 46.19 44.88 3i7u s LEU 19 CO 0.11 0.06 -0.17 0.27 0.23 0.00 0.00 176.35 176.86 3i7u s ILE 20 N -2.23 1.99 -0.23 -0.59 -5.25 0.24 -0.78 121.20 114.35 3i7u s ILE 20 Ca 0.27 -2.21 -0.06 0.00 -0.99 0.00 0.00 60.65 57.67 3i7u s ILE 20 Cb -0.06 -2.08 -0.02 0.00 2.95 0.00 0.00 42.46 43.25 3i7u s ILE 20 CO 0.14 -0.47 0.02 -0.75 -1.79 0.00 0.00 174.94 172.09 3i7u s LYS 21 N -3.41 3.57 0.83 0.37 2.20 -0.51 -0.11 119.74 122.69 3i7u s LYS 21 Ca 0.23 -0.53 -0.12 0.00 -0.36 0.00 0.00 55.97 55.20 3i7u s LYS 21 Cb -0.03 -3.17 0.09 0.00 -1.51 0.00 0.00 37.83 33.21 3i7u s LYS 21 CO 0.09 -0.13 1.10 0.95 -0.36 0.00 0.00 175.35 177.00 3i7u s THR 22 N 1.38 2.87 0.62 3.43 -4.23 0.63 -0.80 115.64 119.54 3i7u s THR 22 Ca 0.05 0.28 0.35 0.00 -1.18 0.00 0.00 61.69 61.19 3i7u s THR 22 Cb -0.15 -2.95 0.39 0.00 1.34 0.00 0.00 72.50 71.13 3i7u s THR 22 CO 0.01 -0.37 2.26 -0.65 -0.54 0.00 0.00 174.62 175.34 3i7u h PRO 23 N -1.25 0.00 -0.16 3.99 0.11 -1.89 0.77 132.00 133.56 3i7u h PRO 23 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3i7u h PRO 23 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3i7u h PRO 23 CO 0.58 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.80 3i7u n SER 24 N -3.53 0.89 -1.73 -2.05 7.64 -1.26 -4.89 113.62 108.69 3i7u n SER 24 Ca -0.02 -1.96 -0.13 0.00 1.01 0.00 0.00 58.87 57.77 3i7u n SER 24 Cb 0.13 -0.11 0.01 0.00 -1.01 0.00 0.00 64.21 63.23 3i7u n SER 24 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3i7u n ASN 25 N -0.03 -4.13 -4.29 6.43 5.15 0.26 -5.03 115.26 113.61 3i7u n ASN 25 Ca 0.06 -0.12 -0.31 0.00 -0.60 0.00 0.00 54.58 53.61 3i7u n ASN 25 Cb 0.15 -3.11 -0.16 0.00 -0.53 0.00 0.00 39.78 36.12 3i7u n ASN 25 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3i7u s VAL 26 N -2.82 2.15 0.08 3.44 1.01 -1.25 -4.89 120.40 118.12 3i7u s VAL 26 Ca 0.12 -1.04 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 3i7u s VAL 26 Cb -0.05 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 3i7u s VAL 26 CO 0.15 0.57 0.98 0.26 0.00 0.00 0.00 175.10 177.06 3i7u s TRP 27 N -0.29 3.76 0.00 5.22 0.52 -1.26 -0.27 118.94 126.62 3i7u s TRP 27 Ca 0.00 1.76 0.00 0.00 0.02 0.00 0.00 56.10 57.88 3i7u s TRP 27 Cb -0.13 -3.09 0.00 0.00 -1.15 0.00 0.00 33.47 29.10 3i7u s TRP 27 CO 0.02 0.09 0.00 0.45 0.02 0.00 0.00 176.95 177.53 3i7u n SER 28 N 3.09 0.00 -4.90 2.95 2.88 0.85 -4.29 113.62 114.20 3i7u n SER 28 Ca 0.03 -0.97 -0.32 0.00 -1.33 0.00 0.00 58.87 56.28 3i7u n SER 28 Cb 0.49 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.91 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 -6.02 3.52 0.20 0.66 0.08 -1.26 -0.59 117.98 114.57 3i7u s PHE 29 Ca 0.00 0.51 -0.30 0.00 0.12 0.00 0.00 56.93 57.26 3i7u s PHE 29 Cb 0.00 -1.96 -0.09 0.00 -0.57 0.00 0.00 43.02 40.41 3i7u s PHE 29 CO 0.00 0.52 1.25 -1.25 -0.10 0.00 0.00 175.22 175.63 3i7u s PRO 30 N -2.35 4.45 0.10 0.24 0.04 -1.26 -4.82 135.00 131.40 3i7u s PRO 30 Ca 0.36 1.97 -0.26 0.00 0.04 0.00 0.00 61.00 63.11 3i7u s PRO 30 Cb -0.13 -3.21 0.08 0.00 0.04 0.00 0.00 34.50 31.28 3i7u s PRO 30 CO 0.23 -0.15 0.90 -1.59 0.04 0.00 0.00 177.00 176.43 3i7u s LYS 31 N -0.35 1.10 0.19 4.56 -2.85 -1.26 -2.14 119.74 118.99 3i7u s LYS 31 Ca 0.54 -0.54 -0.23 0.00 -1.00 0.00 0.00 55.97 54.74 3i7u s LYS 31 Cb -0.35 0.42 0.06 0.00 -2.06 0.00 0.00 37.83 35.91 3i7u s LYS 31 CO 0.39 -0.50 0.95 0.20 0.10 0.00 0.00 175.35 176.49 3i7u s GLY 32 N -2.77 -0.07 0.40 0.59 0.00 -0.60 -4.90 107.32 99.97 3i7u s GLY 32 Ca 0.09 -0.11 -0.25 0.00 0.00 0.00 0.00 44.72 44.45 3i7u s GLY 32 CO -0.02 0.63 1.16 -1.31 0.00 0.00 0.00 173.10 173.56 3i7u s ASN 33 N -3.08 6.53 0.68 1.64 0.02 -1.26 -1.24 114.94 118.23 3i7u s ASN 33 Ca 0.15 2.33 -0.17 0.00 -1.02 0.00 0.00 52.86 54.16 3i7u s ASN 33 Cb -0.02 -2.61 0.01 0.00 0.02 0.00 0.00 41.25 38.64 3i7u s ASN 33 CO 0.04 -0.67 1.25 -0.51 0.02 0.00 0.00 177.10 177.23 3i7u s ILE 34 N -1.42 2.21 0.39 0.60 2.07 -0.39 -4.91 121.20 119.74 3i7u s ILE 34 Ca 0.57 0.12 0.08 0.00 -1.41 0.00 0.00 60.65 60.01 3i7u s ILE 34 Cb -0.30 -2.90 -0.04 0.00 0.13 0.00 0.00 42.46 39.35 3i7u s ILE 34 CO 0.38 -0.04 0.23 -1.61 -1.91 0.00 0.00 174.94 171.99 3i7u s GLU 35 N -3.59 2.38 0.10 3.50 0.41 -1.26 -5.03 118.70 115.20 3i7u s GLU 35 Ca 0.79 -1.65 -0.32 0.00 -0.41 0.00 0.00 54.97 53.37 3i7u s GLU 35 Cb -0.33 -2.17 -0.12 0.00 -1.78 0.00 0.00 34.13 29.73 3i7u s GLU 35 CO 0.41 -0.07 1.78 -2.30 -0.49 0.00 0.00 175.26 174.59 3i7u n PRO 36 N -1.31 2.52 -0.38 0.39 -0.02 -1.26 -2.75 135.00 132.19 3i7u n PRO 36 Ca -0.00 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 3i7u n PRO 36 Cb 0.63 -2.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.34 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 4.05 1.76 3.79 -1.23 0.00 -1.26 -5.04 105.19 107.27 3i7u n GLY 37 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 3i7u n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i7u s GLU 38 N -0.17 4.34 0.37 1.61 2.02 -1.11 -5.06 118.70 120.70 3i7u s GLU 38 Ca 0.00 1.30 -0.08 0.00 0.02 0.00 0.00 54.97 56.21 3i7u s GLU 38 Cb 0.00 -2.51 -0.06 0.00 0.10 0.00 0.00 34.13 31.66 3i7u s GLU 38 CO 0.00 0.06 0.69 0.15 0.02 0.00 0.00 175.26 176.18 3i7u s LYS 39 N -2.57 3.69 0.39 1.61 1.02 -1.26 -4.91 119.74 117.72 3i7u s LYS 39 Ca 0.56 0.25 0.13 0.00 0.02 0.00 0.00 55.97 56.94 3i7u s LYS 39 Cb -0.16 -2.49 0.96 0.00 -0.52 0.00 0.00 37.83 35.62 3i7u s LYS 39 CO 0.21 0.04 1.88 -1.00 -0.92 0.00 0.00 175.35 175.56 3i7u h PRO 40 N 1.28 0.51 -0.17 -1.68 0.13 -1.98 -0.40 132.00 129.69 3i7u h PRO 40 Ca -0.47 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 64.55 3i7u h PRO 40 Cb 1.19 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 3i7u h PRO 40 CO 0.64 0.34 -0.21 0.93 -0.23 0.00 0.00 178.00 179.47 3i7u h GLU 41 N 0.53 0.30 -0.25 0.86 3.07 -1.97 -0.73 114.58 116.39 3i7u h GLU 41 Ca 0.43 -0.09 -0.17 0.00 -0.50 0.00 0.00 59.36 59.03 3i7u h GLU 41 Cb 0.87 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.76 3i7u h GLU 41 CO -0.17 0.50 -0.51 0.93 -1.40 0.00 0.00 179.01 178.36 3i7u h GLU 42 N 0.27 0.78 -0.55 2.33 5.08 -1.48 -2.58 114.58 118.43 3i7u h GLU 42 Ca 0.05 -0.51 -0.02 0.00 -1.00 0.00 0.00 59.36 57.88 3i7u h GLU 42 Cb 0.54 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 3i7u h GLU 42 CO 0.04 1.14 0.28 1.15 -1.00 0.00 0.00 179.01 180.62 3i7u h THR 43 N 0.53 1.20 0.03 1.13 2.02 -1.07 -2.49 112.91 114.25 3i7u h THR 43 Ca 0.01 -0.53 0.01 0.00 0.77 0.00 0.00 66.41 66.66 3i7u h THR 43 Cb 1.12 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 3i7u h THR 43 CO 0.11 0.22 -0.07 0.00 0.37 0.00 0.00 175.52 176.16 3i7u h ALA 44 N 1.11 -0.09 -0.02 6.16 0.00 -1.05 0.94 119.26 126.32 3i7u h ALA 44 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3i7u h ALA 44 Cb 0.09 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3i7u h ALA 44 CO -0.03 -0.57 0.01 0.28 0.00 0.00 0.00 179.25 178.95 3i7u h VAL 45 N -0.13 1.01 -0.20 0.00 2.07 -1.41 -1.65 116.25 115.94 3i7u h VAL 45 Ca 0.02 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3i7u h VAL 45 Cb 0.15 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 3i7u h VAL 45 CO -0.05 0.01 0.11 -0.09 0.02 0.00 0.00 177.57 177.56 3i7u h ARG 46 N 0.02 0.29 -0.37 1.57 2.43 -1.33 -2.61 114.38 114.38 3i7u h ARG 46 Ca 0.01 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.05 3i7u h ARG 46 Cb 0.00 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 3i7u h ARG 46 CO -0.00 0.29 -0.14 0.93 -1.51 0.00 0.00 179.97 179.53 3i7u h GLU 47 N 0.21 0.66 -0.70 0.20 4.39 -0.74 -0.19 114.58 118.40 3i7u h GLU 47 Ca 0.07 -0.22 -0.07 0.00 0.34 0.00 0.00 59.36 59.48 3i7u h GLU 47 Cb 0.09 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 3i7u h GLU 47 CO -0.01 0.78 0.18 0.28 -1.16 0.00 0.00 179.01 179.07 3i7u h VAL 48 N 0.59 1.26 -0.19 3.13 2.07 -1.26 0.10 116.25 121.96 3i7u h VAL 48 Ca 0.10 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 3i7u h VAL 48 Cb 0.59 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3i7u h VAL 48 CO 0.04 0.37 0.04 -0.25 0.02 0.00 0.00 177.57 177.79 3i7u h TRP 49 N 1.06 0.33 -0.52 1.57 7.01 -1.08 -0.69 115.95 123.64 3i7u h TRP 49 Ca 0.22 -0.04 -0.07 0.00 2.11 0.00 0.00 58.89 61.11 3i7u h TRP 49 Cb 0.36 -0.09 -0.02 0.00 -2.10 0.00 0.00 29.16 27.31 3i7u h TRP 49 CO 0.03 0.44 0.05 0.93 -2.79 0.00 0.00 178.44 177.11 3i7u h GLU 50 N 0.12 0.84 0.00 2.65 5.08 -0.82 0.73 114.58 123.17 3i7u h GLU 50 Ca 0.06 -0.21 -0.14 0.00 -1.00 0.00 0.00 59.36 58.08 3i7u h GLU 50 Cb 0.29 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 3i7u h GLU 50 CO 0.00 0.80 -0.65 1.49 -1.00 0.00 0.00 179.01 179.66 3i7u h GLU 51 N 0.79 0.00 0.00 2.33 4.81 -0.66 -3.40 114.58 118.45 3i7u h GLU 51 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3i7u h GLU 51 Cb 0.40 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3i7u h GLU 51 CO 0.01 0.65 -0.08 0.25 -0.73 0.00 0.00 179.01 179.11 3i7u n THR 52 N -3.28 0.00 -0.99 0.32 -2.24 -0.28 -2.34 114.28 105.48 3i7u n THR 52 Ca 0.01 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 3i7u n THR 52 Cb 0.79 0.89 0.00 0.00 -2.10 0.00 0.00 70.33 69.91 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 0.62 0.65 3.62 3.38 0.00 0.26 -0.84 105.19 112.88 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 -2.66 4.89 -0.15 1.61 1.01 -1.25 -4.07 120.40 119.78 3i7u s VAL 54 Ca 0.00 0.01 -0.19 0.00 0.00 0.00 0.00 61.98 61.80 3i7u s VAL 54 Cb 0.00 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 3i7u s VAL 54 CO 0.00 0.42 0.53 -0.75 0.00 0.00 0.00 175.10 175.30 3i7u s LYS 55 N 0.67 4.29 0.26 2.72 2.47 0.13 -3.29 119.74 126.99 3i7u s LYS 55 Ca 0.05 0.50 0.10 0.00 -1.56 0.00 0.00 55.97 55.06 3i7u s LYS 55 Cb -0.13 -3.49 -0.05 0.00 -1.46 0.00 0.00 37.83 32.70 3i7u s LYS 55 CO 0.01 0.01 -0.18 0.20 0.16 0.00 0.00 175.35 175.56 3i7u s GLY 56 N 0.86 1.74 -0.14 5.54 0.00 -1.26 -1.10 107.32 112.97 3i7u s GLY 56 Ca 0.27 -1.81 0.00 0.00 0.00 0.00 0.00 44.72 43.18 3i7u s GLY 56 CO 0.11 -1.90 -0.15 1.85 0.00 0.00 0.00 173.10 173.01 3i7u s GLU 57 N -3.56 3.30 0.02 2.90 2.12 -0.00 -4.90 118.70 118.58 3i7u s GLU 57 Ca 0.28 -0.72 -0.30 0.00 0.36 0.00 0.00 54.97 54.58 3i7u s GLU 57 Cb -0.03 -2.61 -0.05 0.00 0.26 0.00 0.00 34.13 31.70 3i7u s GLU 57 CO 0.12 0.14 1.25 0.42 -0.54 0.00 0.00 175.26 176.65 3i7u s ILE 58 N 0.52 3.99 -0.12 -3.70 1.01 -1.26 -0.83 121.20 120.81 3i7u s ILE 58 Ca -0.10 1.39 0.15 0.00 0.00 0.00 0.00 60.65 62.09 3i7u s ILE 58 Cb -0.16 -3.89 -0.21 0.00 0.01 0.00 0.00 42.46 38.21 3i7u s ILE 58 CO 0.04 0.05 0.13 0.18 0.00 0.00 0.00 174.94 175.35 3i7u n LEU 59 N 4.60 0.00 -3.61 2.97 4.77 0.36 -4.95 117.00 121.14 3i7u n LEU 59 Ca 0.11 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.07 3i7u n LEU 59 Cb 0.45 0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 41.82 3i7u n LEU 59 CO 0.56 0.29 1.06 -0.62 -1.33 0.00 0.00 177.39 177.35 3i7u s ASP 60 N -4.68 -0.09 -0.04 -1.43 2.15 -1.21 -4.99 116.67 106.38 3i7u s ASP 60 Ca -0.07 -0.04 -0.23 0.00 0.43 0.00 0.00 52.55 52.64 3i7u s ASP 60 Cb 0.06 0.13 -0.04 0.00 -0.30 0.00 0.00 42.92 42.76 3i7u s ASP 60 CO 0.66 -0.21 0.67 -0.47 -0.17 0.00 0.00 175.17 175.64 3i7u s TYR 61 N -2.35 3.61 -0.19 -5.34 5.04 -1.26 -0.58 117.35 116.29 3i7u s TYR 61 Ca 0.11 1.24 -0.15 0.00 -2.44 0.00 0.00 57.07 55.83 3i7u s TYR 61 Cb 0.01 -2.74 -0.10 0.00 0.35 0.00 0.00 41.96 39.48 3i7u s TYR 61 CO -0.04 0.17 -0.08 -0.89 -1.34 0.00 0.00 175.55 173.38 3i7u n ILE 62 N 3.43 1.48 -3.75 3.14 5.41 0.08 -4.87 119.36 124.28 3i7u n ILE 62 Ca -0.03 0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.77 3i7u n ILE 62 Cb 0.51 -2.20 0.00 0.00 -0.71 0.00 0.00 39.64 37.24 3i7u n ILE 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3i7u n GLY 63 N 1.49 -1.24 3.17 7.39 0.00 -1.21 -4.97 105.19 109.82 3i7u n GLY 63 Ca -0.23 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.51 0.88 -0.02 1.61 -1.05 -1.26 -0.89 118.70 116.46 3i7u s GLU 64 Ca 0.00 -1.39 0.04 0.00 -0.15 0.00 0.00 54.97 53.47 3i7u s GLU 64 Cb 0.00 -0.04 -0.00 0.00 -0.44 0.00 0.00 34.13 33.65 3i7u s GLU 64 CO 0.00 -0.12 -0.13 0.42 0.95 0.00 0.00 175.26 176.38 3i7u s ILE 65 N -3.79 1.08 0.05 1.83 1.01 -0.26 -4.98 121.20 116.15 3i7u s ILE 65 Ca 0.17 -0.55 -0.00 0.00 0.00 0.00 0.00 60.65 60.26 3i7u s ILE 65 Cb 0.07 -0.92 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 3i7u s ILE 65 CO -0.02 0.32 -0.04 -1.38 0.00 0.00 0.00 174.94 173.82 3i7u s HIS 66 N -0.09 0.53 -0.09 3.97 -3.43 -1.26 -0.45 115.29 114.46 3i7u s HIS 66 Ca 0.01 -0.92 -0.32 0.00 -0.80 0.00 0.00 55.06 53.03 3i7u s HIS 66 Cb -0.08 -0.37 0.12 0.00 -1.43 0.00 0.00 32.58 30.83 3i7u s HIS 66 CO 0.00 -0.30 1.19 1.52 -2.00 0.00 0.00 174.74 175.16 3i7u s TYR 67 N -3.28 -0.12 -0.07 0.38 -0.85 -0.47 -5.01 117.35 107.93 3i7u s TYR 67 Ca 0.02 0.03 -0.04 0.00 -0.52 0.00 0.00 57.07 56.56 3i7u s TYR 67 Cb 0.03 0.54 -0.04 0.00 0.38 0.00 0.00 41.96 42.87 3i7u s TYR 67 CO -0.07 -0.30 0.10 -1.58 -1.52 0.00 0.00 175.55 172.18 3i7u s TRP 68 N -2.54 3.43 0.24 -3.49 0.52 -1.26 -0.68 118.94 115.16 3i7u s TRP 68 Ca 0.11 0.36 -0.13 0.00 0.02 0.00 0.00 56.10 56.46 3i7u s TRP 68 Cb 0.01 -1.85 -0.00 0.00 -1.15 0.00 0.00 33.47 30.48 3i7u s TRP 68 CO -0.04 0.63 0.49 1.52 0.02 0.00 0.00 176.95 179.56 3i7u s TYR 69 N -1.07 0.32 -0.17 -1.98 -0.85 -0.61 -4.98 117.35 108.01 3i7u s TYR 69 Ca 0.18 -0.68 -0.04 0.00 -0.52 0.00 0.00 57.07 56.01 3i7u s TYR 69 Cb -0.12 0.22 -0.02 0.00 0.38 0.00 0.00 41.96 42.41 3i7u s TYR 69 CO 0.08 -1.00 -0.03 0.99 -1.52 0.00 0.00 175.55 174.07 3i7u s THR 70 N -4.01 3.81 -0.11 -3.49 2.01 -1.26 -0.48 115.64 112.12 3i7u s THR 70 Ca 0.21 -0.38 0.00 0.00 0.31 0.00 0.00 61.69 61.84 3i7u s THR 70 Cb -0.01 -2.69 0.02 0.00 0.01 0.00 0.00 72.50 69.83 3i7u s THR 70 CO 0.08 0.47 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.17 3i7u s LEU 71 N 0.66 1.34 -1.23 4.42 2.96 -0.36 -4.85 118.68 121.61 3i7u s LEU 71 Ca -0.02 -0.32 -0.22 0.00 -0.22 0.00 0.00 54.13 53.35 3i7u s LEU 71 Cb -0.14 -0.87 0.01 0.00 0.50 0.00 0.00 46.19 45.69 3i7u s LEU 71 CO 0.02 -0.08 0.64 0.29 -1.32 0.00 0.00 176.35 175.91 3i7u n LYS 72 N 4.68 -1.08 -2.23 1.98 5.02 -1.26 -1.96 118.16 123.31 3i7u n LYS 72 Ca -0.15 0.27 -0.19 0.00 -2.02 0.00 0.00 58.31 56.22 3i7u n LYS 72 Cb 0.50 -3.50 -0.02 0.00 -0.02 0.00 0.00 35.03 32.00 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 -1.95 -0.06 3.08 0.72 0.00 -1.26 -5.00 105.19 100.72 3i7u n GLY 73 Ca -0.15 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 3i7u n GLY 73 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3i7u s GLU 74 N -4.73 0.23 0.07 1.61 2.12 -0.83 -5.02 118.70 112.15 3i7u s GLU 74 Ca 0.00 0.28 -0.30 0.00 0.36 0.00 0.00 54.97 55.31 3i7u s GLU 74 Cb 0.00 0.11 -0.05 0.00 0.26 0.00 0.00 34.13 34.45 3i7u s GLU 74 CO 0.00 -0.03 1.10 1.03 -0.54 0.00 0.00 175.26 176.81 3i7u s ARG 75 N 0.12 4.52 -0.09 4.30 0.52 -1.26 -1.22 118.95 125.84 3i7u s ARG 75 Ca -0.00 1.63 0.04 0.00 -0.52 0.00 0.00 55.73 56.88 3i7u s ARG 75 Cb -0.02 -3.37 0.00 0.00 0.52 0.00 0.00 34.95 32.09 3i7u s ARG 75 CO 0.00 -0.09 -0.22 0.42 0.02 0.00 0.00 175.30 175.43 3i7u s ILE 76 N 0.68 1.90 -0.43 1.52 -1.09 0.37 -1.74 121.20 122.42 3i7u s ILE 76 Ca 0.54 -0.93 -0.16 0.00 -2.23 0.00 0.00 60.65 57.87 3i7u s ILE 76 Cb -0.26 -1.65 0.03 0.00 -1.58 0.00 0.00 42.46 38.99 3i7u s ILE 76 CO 0.30 0.53 0.37 0.12 -1.23 0.00 0.00 174.94 175.02 3i7u s PHE 77 N 0.40 3.21 -0.12 3.97 5.36 0.26 -1.57 117.98 129.49 3i7u s PHE 77 Ca -0.18 -0.57 -0.05 0.00 -0.96 0.00 0.00 56.93 55.17 3i7u s PHE 77 Cb -0.18 -2.80 -0.04 0.00 -0.34 0.00 0.00 43.02 39.67 3i7u s PHE 77 CO 0.08 -0.67 0.05 0.21 -1.46 0.00 0.00 175.22 173.43 3i7u s LYS 78 N 1.84 3.37 -0.08 10.12 2.20 0.15 -0.92 119.74 136.42 3i7u s LYS 78 Ca 0.07 -0.33 0.03 0.00 -0.36 0.00 0.00 55.97 55.38 3i7u s LYS 78 Cb -0.19 -3.00 0.01 0.00 -1.51 0.00 0.00 37.83 33.14 3i7u s LYS 78 CO 0.11 0.59 -0.17 0.99 -0.36 0.00 0.00 175.35 176.51 3i7u s THR 79 N -0.54 1.52 -0.18 3.43 2.01 -0.39 -1.37 115.64 120.13 3i7u s THR 79 Ca 0.10 -0.70 0.01 0.00 0.31 0.00 0.00 61.69 61.41 3i7u s THR 79 Cb -0.12 -1.36 0.02 0.00 0.01 0.00 0.00 72.50 71.06 3i7u s THR 79 CO 0.02 0.44 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.53 3i7u s VAL 80 N 0.58 1.91 -0.12 3.82 1.01 0.41 -1.47 120.40 126.54 3i7u s VAL 80 Ca -0.15 -0.88 -0.10 0.00 0.00 0.00 0.00 61.98 60.84 3i7u s VAL 80 Cb -0.17 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 3i7u s VAL 80 CO 0.05 0.48 0.21 -0.54 0.00 0.00 0.00 175.10 175.30 3i7u s LYS 81 N 1.34 3.76 -0.01 2.72 1.02 -0.64 -1.10 119.74 126.83 3i7u s LYS 81 Ca 0.04 -0.01 0.05 0.00 0.02 0.00 0.00 55.97 56.08 3i7u s LYS 81 Cb -0.13 -3.26 -0.03 0.00 -0.52 0.00 0.00 37.83 33.88 3i7u s LYS 81 CO -0.12 0.61 -0.17 0.71 -0.92 0.00 0.00 175.35 175.46 3i7u s TYR 82 N -0.61 2.60 0.01 3.18 2.02 -0.07 -1.23 117.35 123.25 3i7u s TYR 82 Ca 0.16 -0.23 0.06 0.00 -0.37 0.00 0.00 57.07 56.68 3i7u s TYR 82 Cb -0.13 -1.55 -0.02 0.00 -0.40 0.00 0.00 41.96 39.86 3i7u s TYR 82 CO 0.05 0.18 -0.17 0.71 -1.57 0.00 0.00 175.55 174.75 3i7u s TYR 83 N -0.78 1.52 0.03 2.71 2.02 -0.68 -0.74 117.35 121.42 3i7u s TYR 83 Ca 0.12 -0.32 -0.30 0.00 -0.37 0.00 0.00 57.07 56.20 3i7u s TYR 83 Cb -0.10 -0.94 -0.04 0.00 -0.40 0.00 0.00 41.96 40.47 3i7u s TYR 83 CO 0.02 0.02 1.07 -1.17 -1.57 0.00 0.00 175.55 173.92 3i7u s LEU 84 N -0.76 4.38 0.09 -1.29 2.96 0.25 -1.49 118.68 122.82 3i7u s LEU 84 Ca 0.06 1.82 0.06 0.00 -0.22 0.00 0.00 54.13 55.84 3i7u s LEU 84 Cb -0.07 -3.57 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 3i7u s LEU 84 CO 0.00 -0.34 -0.16 -0.04 -1.32 0.00 0.00 176.35 174.50 3i7u s MET 85 N 0.97 0.94 -0.14 1.98 -1.94 -0.12 -0.48 119.30 120.51 3i7u s MET 85 Ca 0.55 -1.07 -0.04 0.00 -1.71 0.00 0.00 55.69 53.41 3i7u s MET 85 Cb -0.25 -0.99 -0.03 0.00 2.01 0.00 0.00 34.83 35.57 3i7u s MET 85 CO 0.29 0.22 -0.00 0.21 -0.01 0.00 0.00 175.02 175.72 3i7u s LYS 86 N -2.00 3.55 0.31 2.03 2.20 -0.01 -1.49 119.74 124.34 3i7u s LYS 86 Ca 0.03 -0.45 -0.29 0.00 -0.36 0.00 0.00 55.97 54.90 3i7u s LYS 86 Cb -0.09 -2.95 -0.11 0.00 -1.51 0.00 0.00 37.83 33.17 3i7u s LYS 86 CO 0.03 0.38 1.50 -0.47 -0.36 0.00 0.00 175.35 176.43 3i7u s TYR 87 N 0.01 2.78 0.00 4.03 5.04 -0.51 -0.82 117.35 127.88 3i7u s TYR 87 Ca 0.02 1.02 0.00 0.00 -2.44 0.00 0.00 57.07 55.68 3i7u s TYR 87 Cb -0.13 -3.96 0.00 0.00 0.35 0.00 0.00 41.96 38.22 3i7u s TYR 87 CO 0.02 -3.03 0.00 1.63 -1.34 0.00 0.00 175.55 172.83 3i7u n LYS 88 N 1.51 0.00 -3.55 4.97 4.76 -0.26 -4.86 118.16 120.72 3i7u n LYS 88 Ca 0.05 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.35 3i7u n LYS 88 Cb 0.39 -0.45 -0.05 0.00 -1.84 0.00 0.00 35.03 33.08 3i7u n LYS 88 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3i7u s GLU 89 N -1.96 1.08 0.00 1.97 2.12 -1.07 -4.99 118.70 115.84 3i7u s GLU 89 Ca 0.00 -0.31 0.00 0.00 0.36 0.00 0.00 54.97 55.02 3i7u s GLU 89 Cb 0.00 0.49 0.00 0.00 0.26 0.00 0.00 34.13 34.88 3i7u s GLU 89 CO 0.00 -0.41 0.00 0.41 -0.54 0.00 0.00 175.26 174.72 3i7u n GLY 90 N 0.22 2.27 3.21 -1.50 0.00 -1.26 0.21 105.19 108.33 3i7u n GLY 90 Ca -0.18 -1.95 -0.32 0.00 0.00 0.00 0.00 46.02 43.58 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 -2.76 2.97 0.15 1.61 0.41 -1.26 -4.88 118.70 114.94 3i7u s GLU 91 Ca 0.00 -0.85 -0.31 0.00 -0.41 0.00 0.00 54.97 53.39 3i7u s GLU 91 Cb 0.00 -2.25 -0.11 0.00 -1.78 0.00 0.00 34.13 29.99 3i7u s GLU 91 CO 0.00 0.16 1.73 -1.25 -0.49 0.00 0.00 175.26 175.41 3i7u s PRO 92 N 0.38 4.15 -0.09 0.39 0.04 -1.26 -4.60 135.00 134.01 3i7u s PRO 92 Ca -0.18 2.53 -0.05 0.00 0.04 0.00 0.00 61.00 63.33 3i7u s PRO 92 Cb -0.18 -3.35 0.04 0.00 0.04 0.00 0.00 34.50 31.06 3i7u s PRO 92 CO 0.08 -0.76 0.22 1.03 0.04 0.00 0.00 177.00 177.62 3i7u s ARG 93 N 1.93 0.19 0.35 4.56 0.52 -0.02 -4.85 118.95 121.64 3i7u s ARG 93 Ca 0.76 0.46 -0.27 0.00 -0.52 0.00 0.00 55.73 56.16 3i7u s ARG 93 Cb -0.46 -0.09 -0.09 0.00 0.52 0.00 0.00 34.95 34.83 3i7u s ARG 93 CO 0.33 -0.14 1.19 -1.25 0.02 0.00 0.00 175.30 175.45 3i7u s PRO 94 N 1.04 4.30 0.86 3.54 0.04 -1.26 -4.01 135.00 139.50 3i7u s PRO 94 Ca -0.08 1.94 -0.13 0.00 0.04 0.00 0.00 61.00 62.77 3i7u s PRO 94 Cb -0.09 -2.92 0.19 0.00 0.04 0.00 0.00 34.50 31.72 3i7u s PRO 94 CO -0.07 -0.14 1.17 -1.13 0.04 0.00 0.00 177.00 176.87 3i7u n SER 95 N 0.57 0.29 0.18 6.66 3.41 -0.99 -4.93 113.62 118.82 3i7u n SER 95 Ca 0.02 -1.54 0.13 0.00 -0.26 0.00 0.00 58.87 57.21 3i7u n SER 95 Cb 0.45 -0.87 0.60 0.00 -0.26 0.00 0.00 64.21 64.13 3i7u n SER 95 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 3i7u h TRP 96 N -1.51 0.00 0.00 7.33 5.08 -1.92 -2.79 115.95 122.14 3i7u h TRP 96 Ca -0.38 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.59 3i7u h TRP 96 Cb 1.09 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.25 3i7u h TRP 96 CO 0.00 0.00 -0.44 0.39 -1.28 0.00 0.00 178.44 177.11 3i7u n GLU 97 N -2.44 0.25 -4.26 0.12 1.02 -1.26 -4.92 120.64 109.15 3i7u n GLU 97 Ca 0.01 0.11 -0.16 0.00 -0.02 0.00 0.00 57.16 57.09 3i7u n GLU 97 Cb 0.18 -1.69 -0.11 0.00 -0.02 0.00 0.00 31.44 29.80 3i7u n GLU 97 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3i7u s VAL 98 N -3.13 1.32 -0.18 2.62 -7.23 -1.05 -4.53 120.40 108.22 3i7u s VAL 98 Ca 0.08 -1.91 0.16 0.00 -1.81 0.00 0.00 61.98 58.50 3i7u s VAL 98 Cb 0.14 -1.71 0.04 0.00 0.56 0.00 0.00 36.38 35.40 3i7u s VAL 98 CO 0.68 -0.57 1.30 0.11 -0.31 0.00 0.00 175.10 176.31 3i7u h LYS 99 N 3.10 0.00 -2.48 4.82 1.57 -1.21 -3.39 116.57 118.98 3i7u h LYS 99 Ca -0.38 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.48 3i7u h LYS 99 Cb 1.20 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.37 3i7u h LYS 99 CO 0.57 0.38 0.42 0.34 -0.57 0.00 0.00 179.45 180.59 3i7u s ASP 100 N -6.23 -0.39 -0.07 0.86 -1.08 -1.25 -4.89 116.67 103.62 3i7u s ASP 100 Ca 0.02 -0.07 -0.03 0.00 -0.52 0.00 0.00 52.55 51.96 3i7u s ASP 100 Cb 0.08 0.46 0.04 0.00 -1.46 0.00 0.00 42.92 42.04 3i7u s ASP 100 CO 0.76 -0.76 0.14 0.00 0.52 0.00 0.00 175.17 175.83 3i7u s ALA 101 N -3.32 -0.11 0.01 3.66 0.00 -1.26 -1.43 121.76 119.31 3i7u s ALA 101 Ca 0.05 0.52 -0.25 0.00 0.00 0.00 0.00 51.96 52.27 3i7u s ALA 101 Cb -0.01 -0.73 0.06 0.00 0.00 0.00 0.00 23.12 22.43 3i7u s ALA 101 CO -0.08 -0.50 0.57 0.21 0.00 0.00 0.00 175.76 175.97 3i7u s LYS 102 N 2.12 1.02 0.07 0.00 2.20 0.04 -4.43 119.74 120.75 3i7u s LYS 102 Ca 0.02 -0.03 -0.21 0.00 -0.36 0.00 0.00 55.97 55.39 3i7u s LYS 102 Cb -0.12 0.47 -0.06 0.00 -1.51 0.00 0.00 37.83 36.61 3i7u s LYS 102 CO -0.05 -0.35 0.61 -0.06 -0.36 0.00 0.00 175.35 175.14 3i7u s PHE 103 N -1.86 3.79 0.03 4.03 0.08 -1.26 -0.72 117.98 122.06 3i7u s PHE 103 Ca -0.08 1.31 0.02 0.00 0.12 0.00 0.00 56.93 58.30 3i7u s PHE 103 Cb -0.01 -2.57 -0.02 0.00 -0.57 0.00 0.00 43.02 39.85 3i7u s PHE 103 CO 0.03 0.51 -0.08 -0.06 -0.10 0.00 0.00 175.22 175.53 3i7u s PHE 104 N -0.86 0.66 0.63 0.36 0.08 -0.23 -4.92 117.98 113.71 3i7u s PHE 104 Ca 0.31 -0.34 -0.18 0.00 0.12 0.00 0.00 56.93 56.84 3i7u s PHE 104 Cb -0.20 -0.40 -0.01 0.00 -0.57 0.00 0.00 43.02 41.84 3i7u s PHE 104 CO 0.20 -0.04 1.22 -2.14 -0.10 0.00 0.00 175.22 174.35 3i7u s PRO 105 N -1.02 2.72 0.23 0.24 0.02 -1.26 -0.93 135.00 134.99 3i7u s PRO 105 Ca -0.05 1.83 -0.07 0.00 0.02 0.00 0.00 61.00 62.73 3i7u s PRO 105 Cb -0.07 -1.90 0.35 0.00 0.02 0.00 0.00 34.50 32.91 3i7u s PRO 105 CO 0.00 -1.40 1.76 0.82 -0.33 0.00 0.00 177.00 177.85 3i7u h ILE 106 N 0.54 0.79 -0.75 2.83 2.04 -1.95 -0.73 117.51 120.28 3i7u h ILE 106 Ca -0.50 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.18 3i7u h ILE 106 Cb 1.30 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 3i7u h ILE 106 CO 0.54 0.10 0.48 0.50 0.00 0.00 0.00 178.15 179.77 3i7u h LYS 107 N 0.53 1.00 -0.03 2.37 3.64 -1.95 -1.31 116.57 120.82 3i7u h LYS 107 Ca 0.36 -0.07 -0.25 0.00 -1.27 0.00 0.00 60.65 59.42 3i7u h LYS 107 Cb 0.43 -0.22 0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3i7u h LYS 107 CO -0.31 0.68 -0.97 1.49 -2.27 0.00 0.00 179.45 178.07 3i7u h GLU 108 N 1.03 0.66 -0.79 1.90 4.81 -1.73 -3.24 114.58 117.21 3i7u h GLU 108 Ca 0.27 -0.67 0.03 0.00 -0.13 0.00 0.00 59.36 58.86 3i7u h GLU 108 Cb -0.09 0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.42 3i7u h GLU 108 CO -0.06 1.26 0.51 0.00 -0.73 0.00 0.00 179.01 180.00 3i7u h ALA 109 N 0.51 1.03 -0.86 2.92 0.00 -0.72 -1.00 119.26 121.15 3i7u h ALA 109 Ca -0.10 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.88 3i7u h ALA 109 Cb 1.61 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 3i7u h ALA 109 CO 0.19 0.34 0.55 0.87 0.00 0.00 0.00 179.25 181.20 3i7u h LYS 110 N 1.01 0.74 0.02 0.00 1.57 -1.28 -1.04 116.57 117.58 3i7u h LYS 110 Ca 0.31 -0.04 -0.20 0.00 -1.87 0.00 0.00 60.65 58.84 3i7u h LYS 110 Cb -0.02 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 3i7u h LYS 110 CO -0.10 0.49 -0.94 0.87 -0.57 0.00 0.00 179.45 179.20 3i7u h LYS 111 N 0.76 0.08 -0.12 3.15 1.57 -1.32 -3.34 116.57 117.36 3i7u h LYS 111 Ca 0.41 -0.11 -0.23 0.00 -1.87 0.00 0.00 60.65 58.85 3i7u h LYS 111 Cb 0.53 0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.89 3i7u h LYS 111 CO -0.17 0.96 -0.82 -0.07 -0.57 0.00 0.00 179.45 178.78 3i7u h LEU 112 N 0.04 0.93 -9.84 2.94 3.38 -0.00 -3.45 115.31 109.30 3i7u h LEU 112 Ca -0.03 -0.65 -0.53 0.00 0.09 0.00 0.00 57.88 56.75 3i7u h LEU 112 Cb 1.63 -0.28 0.09 0.00 0.09 0.00 0.00 40.66 42.19 3i7u h LEU 112 CO 0.13 1.44 0.84 -0.76 0.09 0.00 0.00 178.44 180.19 3i7u s LEU 113 N -8.37 4.34 -0.03 1.67 1.43 -0.61 -4.46 118.68 112.65 3i7u s LEU 113 Ca -0.10 2.96 0.01 0.00 -1.03 0.00 0.00 54.13 55.97 3i7u s LEU 113 Cb 0.08 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.63 3i7u s LEU 113 CO 0.91 -0.89 -0.01 0.29 0.23 0.00 0.00 176.35 176.88 3i7u n LYS 114 N 1.65 1.83 -2.39 1.70 4.76 -1.26 -4.96 118.16 119.49 3i7u n LYS 114 Ca 0.06 0.01 -0.41 0.00 -2.87 0.00 0.00 58.31 55.10 3i7u n LYS 114 Cb 0.38 -1.06 -0.04 0.00 -1.84 0.00 0.00 35.03 32.48 3i7u n LYS 114 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3i7u s TYR 115 N -2.06 3.45 0.23 2.13 2.02 -1.26 -4.93 117.35 116.93 3i7u s TYR 115 Ca -0.03 1.50 -0.07 0.00 -0.37 0.00 0.00 57.07 58.10 3i7u s TYR 115 Cb 0.01 -3.40 0.27 0.00 -0.40 0.00 0.00 41.96 38.44 3i7u s TYR 115 CO 0.08 -1.05 1.85 -0.22 -1.57 0.00 0.00 175.55 174.64 3i7u h LYS 116 N 4.75 0.91 -0.60 -0.62 1.63 -2.00 -2.10 116.57 118.55 3i7u h LYS 116 Ca -0.45 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.30 3i7u h LYS 116 Cb 1.21 -0.21 -0.03 0.00 -0.60 0.00 0.00 32.23 32.61 3i7u h LYS 116 CO 0.72 0.60 0.39 0.78 -3.45 0.00 0.00 179.45 178.49 3i7u h GLY 117 N 0.94 0.84 1.00 5.01 0.00 -2.00 -1.66 103.07 107.20 3i7u h GLY 117 Ca 0.34 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.35 3i7u h GLY 117 CO -0.15 0.30 0.41 -0.55 0.00 0.00 0.00 176.54 176.55 3i7u h ASP 118 N 0.80 0.79 -0.66 0.19 3.32 -1.84 -0.24 116.42 118.78 3i7u h ASP 118 Ca 0.22 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 3i7u h ASP 118 Cb -0.08 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 3i7u h ASP 118 CO -0.05 0.61 0.38 0.11 -1.72 0.00 0.00 179.24 178.57 3i7u h LYS 119 N 0.90 0.91 -0.34 3.56 1.57 -0.99 0.16 116.57 122.35 3i7u h LYS 119 Ca 0.24 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.86 3i7u h LYS 119 Cb -0.04 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 3i7u h LYS 119 CO -0.05 0.67 -0.05 0.93 -0.57 0.00 0.00 179.45 180.39 3i7u h GLU 120 N 0.90 0.64 -0.74 3.15 5.08 -0.97 -1.17 114.58 121.47 3i7u h GLU 120 Ca 0.24 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3i7u h GLU 120 Cb 0.01 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3i7u h GLU 120 CO -0.04 0.78 0.36 0.82 -1.00 0.00 0.00 179.01 179.93 3i7u h ILE 121 N 0.43 1.24 -0.45 3.13 1.08 -0.84 -1.50 117.51 120.61 3i7u h ILE 121 Ca 0.09 -0.67 -0.03 0.00 -0.39 0.00 0.00 64.86 63.87 3i7u h ILE 121 Cb 0.53 0.31 -0.02 0.00 -3.07 0.00 0.00 36.82 34.57 3i7u h ILE 121 CO 0.03 0.28 0.17 0.15 -0.69 0.00 0.00 178.15 178.09 3i7u h PHE 122 N 1.04 0.69 -0.67 1.37 3.57 -0.83 0.75 116.94 122.86 3i7u h PHE 122 Ca 0.26 -0.06 0.05 0.00 3.53 0.00 0.00 57.97 61.75 3i7u h PHE 122 Cb 0.11 -0.20 -0.05 0.00 2.79 0.00 0.00 35.95 38.60 3i7u h PHE 122 CO 0.01 0.60 0.39 1.49 -2.23 0.00 0.00 178.31 178.57 3i7u h GLU 123 N 0.58 0.72 -0.53 1.11 4.81 -0.92 -0.39 114.58 119.96 3i7u h GLU 123 Ca 0.15 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.22 3i7u h GLU 123 Cb 0.21 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.41 3i7u h GLU 123 CO -0.01 0.48 -0.13 0.87 -0.73 0.00 0.00 179.01 179.48 3i7u h LYS 124 N 0.74 1.01 -0.47 1.92 1.57 -0.88 -2.87 116.57 117.59 3i7u h LYS 124 Ca 0.29 -0.38 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 3i7u h LYS 124 Cb 0.12 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3i7u h LYS 124 CO -0.15 1.07 0.23 0.00 -0.57 0.00 0.00 179.45 180.02 3i7u h ALA 125 N 0.94 0.61 -0.62 3.86 0.00 -0.14 -1.90 119.26 122.02 3i7u h ALA 125 Ca 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3i7u h ALA 125 Cb 0.70 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3i7u h ALA 125 CO 0.05 0.18 0.35 -0.07 0.00 0.00 0.00 179.25 179.76 3i7u h LEU 126 N 0.62 0.76 -0.43 0.00 3.38 -1.04 0.18 115.31 118.78 3i7u h LEU 126 Ca 0.16 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 3i7u h LEU 126 Cb 0.12 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3i7u h LEU 126 CO -0.02 0.60 -0.14 0.50 0.09 0.00 0.00 178.44 179.47 3i7u h LYS 127 N 0.86 0.86 -0.15 1.13 1.63 -1.25 -2.94 116.57 116.71 3i7u h LYS 127 Ca 0.22 -0.34 -0.12 0.00 -0.85 0.00 0.00 60.65 59.56 3i7u h LYS 127 Cb 0.00 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.58 3i7u h LYS 127 CO -0.04 0.98 -0.44 -0.07 -3.45 0.00 0.00 179.45 176.44 3i7u h LEU 128 N 0.69 0.38 -2.31 5.20 3.38 -0.69 -2.88 115.31 119.08 3i7u h LEU 128 Ca 0.11 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3i7u h LEU 128 Cb 0.69 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 3i7u h LEU 128 CO 0.05 0.78 0.04 0.50 0.09 0.00 0.00 178.44 179.90 3i7u h LYS 129 N 0.30 0.00 0.00 1.13 3.64 -0.49 -2.04 116.57 119.11 3i7u h LYS 129 Ca 0.02 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3i7u h LYS 129 Cb 0.89 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.71 3i7u h LYS 129 CO 0.07 0.00 -0.02 0.93 -2.27 0.00 0.00 179.45 178.16 3i7u h GLU 130 N 0.00 0.00 0.00 1.90 5.08 -1.44 -2.19 114.58 117.93 3i7u h GLU 130 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3i7u h GLU 130 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3i7u h GLU 130 CO -0.00 0.02 0.00 1.63 -1.00 0.00 0.00 179.01 179.66 3i7u n LYS 131 N -3.93 0.24 -4.23 2.33 5.02 -0.77 -4.86 118.16 111.97 3i7u n LYS 131 Ca -0.03 0.24 -0.24 0.00 -2.02 0.00 0.00 58.31 56.26 3i7u n LYS 131 Cb 0.11 -1.81 -0.08 0.00 -0.02 0.00 0.00 35.03 33.23 3i7u n LYS 131 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3i7u s PHE 132 N -3.13 2.60 -0.25 2.13 0.40 -0.82 -4.99 117.98 113.92 3i7u s PHE 132 Ca 0.10 -0.48 0.01 0.00 -0.60 0.00 0.00 56.93 55.95 3i7u s PHE 132 Cb 0.12 -1.69 0.12 0.00 0.51 0.00 0.00 43.02 42.08 3i7u s PHE 132 CO 0.56 0.35 1.06 1.17 0.70 0.00 0.00 175.22 179.07 3i7u n LYS 133 N -1.09 1.31 0.00 0.44 4.81 -1.26 -5.00 118.16 117.37 3i7u n LYS 133 Ca -0.03 -0.52 0.14 0.00 -0.87 0.00 0.00 58.31 57.03 3i7u n LYS 133 Cb 0.63 -1.30 0.54 0.00 0.02 0.00 0.00 35.03 34.92 3i7u n LYS 133 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46