#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i7p h HIS 30 N 0.00 0.65 -1.74 4.41 -0.00 -2.05 -3.48 115.15 112.93 1i7p h HIS 30 Ca 0.00 -0.47 -0.48 0.00 -0.00 0.00 0.00 60.37 59.42 1i7p h HIS 30 Cb 0.00 -0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 27.36 1i7p h HIS 30 CO 0.00 1.42 -0.40 -1.01 -0.00 0.00 0.00 177.93 177.93 1i7p s HIS 31 N -2.48 2.88 -1.04 2.45 0.09 -1.26 -5.02 115.29 110.91 1i7p s HIS 31 Ca -0.13 -0.34 -0.23 0.00 -0.00 0.00 0.00 55.06 54.36 1i7p s HIS 31 Cb 0.02 -1.95 0.05 0.00 -0.00 0.00 0.00 32.58 30.70 1i7p s HIS 31 CO 0.85 0.05 1.49 1.41 -0.00 0.00 0.00 174.74 178.55 1i7p s MET 32 N -4.07 3.59 0.39 1.40 0.00 -1.26 -4.96 119.30 114.40 1i7p s MET 32 Ca 0.44 -1.18 0.08 0.00 0.00 0.00 0.00 55.69 55.02 1i7p s MET 32 Cb -0.06 -5.37 0.00 0.00 0.00 0.00 0.00 34.83 29.40 1i7p s MET 32 CO 0.28 -2.26 0.52 0.96 0.00 0.00 0.00 175.02 174.53 1i7p s ILE 33 N 5.08 3.28 -0.18 10.11 -4.36 -1.26 -2.40 121.20 131.48 1i7p s ILE 33 Ca 0.48 -1.03 -0.17 0.00 -0.26 0.00 0.00 60.65 59.66 1i7p s ILE 33 Cb 0.00 -3.11 -0.22 0.00 1.25 0.00 0.00 42.46 40.38 1i7p s ILE 33 CO -0.08 -0.05 0.28 0.74 0.24 0.00 0.00 174.94 176.07 1i7p h THR 34 N 0.75 0.84 -0.36 8.37 2.02 -0.51 -3.42 112.91 120.61 1i7p h THR 34 Ca -0.42 -2.24 -0.72 0.00 0.77 0.00 0.00 66.41 63.80 1i7p h THR 34 Cb 1.27 2.33 -0.07 0.00 -1.74 0.00 0.00 68.15 69.94 1i7p h THR 34 CO 0.48 0.50 2.86 0.18 0.37 0.00 0.00 175.52 179.91 1i7p n LEU 35 N -4.14 6.85 -0.03 2.58 4.77 -0.76 -4.74 117.00 121.53 1i7p n LEU 35 Ca -0.32 -4.28 -0.06 0.00 -0.03 0.00 0.00 56.01 51.32 1i7p n LEU 35 Cb 0.80 -1.61 0.13 0.00 -2.33 0.00 0.00 43.42 40.40 1i7p n LEU 35 CO 0.27 1.20 0.67 -0.33 -1.33 0.00 0.00 177.39 177.86 1i7p h GLU 36 N 5.91 0.61 -3.30 3.23 5.08 -1.87 -3.43 114.58 120.81 1i7p h GLU 36 Ca 0.53 -0.27 -0.30 0.00 -1.00 0.00 0.00 59.36 58.32 1i7p h GLU 36 Cb 0.63 -0.02 -0.35 0.00 0.50 0.00 0.00 28.75 29.51 1i7p h GLU 36 CO 1.82 0.84 -0.68 1.21 -1.00 0.00 0.00 179.01 181.20 1i7p s ASN 37 N -6.81 0.45 0.38 1.42 3.84 -1.26 -5.04 114.94 107.93 1i7p s ASN 37 Ca -0.08 0.18 0.27 0.00 0.21 0.00 0.00 52.86 53.45 1i7p s ASN 37 Cb 0.13 0.06 1.33 0.00 -0.55 0.00 0.00 41.25 42.22 1i7p s ASN 37 CO 0.82 -0.19 1.83 1.55 -2.79 0.00 0.00 177.10 178.32 1i7p h PRO 38 N 7.82 0.00 -0.10 0.43 0.13 -1.84 -2.65 132.00 135.79 1i7p h PRO 38 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1i7p h PRO 38 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1i7p h PRO 38 CO 0.30 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.82 1i7p n ASP 39 N -2.49 1.65 -4.67 1.44 8.00 -1.26 -4.40 116.55 114.82 1i7p n ASP 39 Ca -0.00 -1.62 -0.32 0.00 0.71 0.00 0.00 54.79 53.56 1i7p n ASP 39 Cb 0.14 -0.06 -0.09 0.00 -0.02 0.00 0.00 41.12 41.10 1i7p n ASP 39 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1i7p s ILE 40 N -1.89 4.09 -0.18 0.53 1.01 -1.00 -5.11 121.20 118.65 1i7p s ILE 40 Ca 0.35 -0.63 -0.09 0.00 0.00 0.00 0.00 60.65 60.28 1i7p s ILE 40 Cb 0.19 -2.83 -0.05 0.00 0.01 0.00 0.00 42.46 39.79 1i7p s ILE 40 CO 0.30 0.37 0.12 -0.54 0.00 0.00 0.00 174.94 175.19 1i7p s LYS 41 N -1.56 4.02 -0.26 2.79 3.01 -1.26 -4.62 119.74 121.85 1i7p s LYS 41 Ca 0.19 -0.23 -0.02 0.00 -1.01 0.00 0.00 55.97 54.90 1i7p s LYS 41 Cb -0.11 -3.34 0.03 0.00 -1.01 0.00 0.00 37.83 33.40 1i7p s LYS 41 CO 0.10 0.38 -0.04 0.71 0.51 0.00 0.00 175.35 177.01 1i7p s TYR 42 N 0.12 3.12 -0.30 3.18 1.51 0.32 -4.91 117.35 120.40 1i7p s TYR 42 Ca 0.08 -1.61 -0.29 0.00 -1.01 0.00 0.00 57.07 54.24 1i7p s TYR 42 Cb -0.11 -2.08 0.01 0.00 -0.11 0.00 0.00 41.96 39.67 1i7p s TYR 42 CO -0.01 -0.74 1.20 -2.14 -1.11 0.00 0.00 175.55 172.75 1i7p s PRO 43 N 1.31 4.01 -0.06 -1.71 0.02 -1.26 -1.02 135.00 136.29 1i7p s PRO 43 Ca -0.01 1.21 0.00 0.00 0.02 0.00 0.00 61.00 62.22 1i7p s PRO 43 Cb -0.17 -3.81 -0.03 0.00 0.02 0.00 0.00 34.50 30.51 1i7p s PRO 43 CO -0.03 -0.99 -0.04 -0.51 -0.33 0.00 0.00 177.00 175.10 1i7p s LEU 44 N 3.98 3.34 -0.01 -5.54 1.43 -0.52 -4.85 118.68 116.51 1i7p s LEU 44 Ca 0.51 0.03 -0.25 0.00 -1.03 0.00 0.00 54.13 53.39 1i7p s LEU 44 Cb -0.15 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 1i7p s LEU 44 CO 0.19 0.36 0.77 -0.60 0.23 0.00 0.00 176.35 177.30 1i7p s ARG 45 N -0.95 4.48 -0.16 1.70 3.52 -1.26 -1.82 118.95 124.46 1i7p s ARG 45 Ca 0.14 1.04 -0.29 0.00 -0.13 0.00 0.00 55.73 56.48 1i7p s ARG 45 Cb -0.11 -3.41 -0.02 0.00 -1.56 0.00 0.00 34.95 29.85 1i7p s ARG 45 CO 0.03 0.14 1.31 -1.17 -0.81 0.00 0.00 175.30 174.80 1i7p s LEU 46 N 0.48 4.17 -0.00 -0.88 2.96 -0.26 -1.18 118.68 123.97 1i7p s LEU 46 Ca 0.40 1.72 0.06 0.00 -0.22 0.00 0.00 54.13 56.09 1i7p s LEU 46 Cb -0.19 -3.54 -0.08 0.00 0.50 0.00 0.00 46.19 42.88 1i7p s LEU 46 CO 0.22 -0.81 0.20 2.30 -1.32 0.00 0.00 176.35 176.94 1i7p n ILE 47 N 5.45 0.00 -3.56 6.68 -6.64 0.16 -0.72 119.36 120.74 1i7p n ILE 47 Ca 0.14 -0.27 -0.12 0.00 -1.77 0.00 0.00 62.75 60.74 1i7p n ILE 47 Cb 0.45 0.73 -0.04 0.00 -1.44 0.00 0.00 39.64 39.34 1i7p n ILE 47 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 1i7p s ASP 48 N -2.04 -0.38 -0.12 7.28 -1.08 -1.06 -4.97 116.67 114.30 1i7p s ASP 48 Ca 0.00 -0.11 -0.16 0.00 -0.52 0.00 0.00 52.55 51.76 1i7p s ASP 48 Cb 0.04 0.51 0.04 0.00 -1.46 0.00 0.00 42.92 42.06 1i7p s ASP 48 CO 0.24 -0.86 0.43 -0.75 0.52 0.00 0.00 175.17 174.76 1i7p s LYS 49 N -3.48 0.59 -0.03 4.34 2.20 -1.26 -1.37 119.74 120.73 1i7p s LYS 49 Ca 0.00 0.41 0.03 0.00 -0.36 0.00 0.00 55.97 56.05 1i7p s LYS 49 Cb 0.00 0.28 0.00 0.00 -1.51 0.00 0.00 37.83 36.61 1i7p s LYS 49 CO -0.10 -0.11 -0.10 -2.00 -0.36 0.00 0.00 175.35 172.68 1i7p s GLU 50 N -0.22 1.14 -0.55 4.03 2.12 -0.15 -4.97 118.70 120.11 1i7p s GLU 50 Ca -0.04 -0.35 -0.21 0.00 0.36 0.00 0.00 54.97 54.73 1i7p s GLU 50 Cb -0.03 -1.04 0.06 0.00 0.26 0.00 0.00 34.13 33.38 1i7p s GLU 50 CO 0.02 0.12 0.79 0.42 -0.54 0.00 0.00 175.26 176.07 1i7p s ILE 51 N 0.23 4.62 0.02 -3.70 1.09 -1.26 -1.88 121.20 120.33 1i7p s ILE 51 Ca -0.04 -0.22 -0.18 0.00 -1.10 0.00 0.00 60.65 59.11 1i7p s ILE 51 Cb -0.10 -4.45 -0.28 0.00 -1.06 0.00 0.00 42.46 36.58 1i7p s ILE 51 CO 0.01 -1.02 1.07 -0.07 -0.10 0.00 0.00 174.94 174.82 1i7p h LEU 52 N 10.40 0.70 0.00 2.97 3.38 -1.62 -3.49 115.31 127.66 1i7p h LEU 52 Ca -0.27 -0.82 -0.08 0.00 0.09 0.00 0.00 57.88 56.79 1i7p h LEU 52 Cb 1.08 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 1i7p h LEU 52 CO 1.05 1.45 0.16 -1.54 0.09 0.00 0.00 178.44 179.65 1i7p n SER 53 N -3.99 -1.86 -0.30 -0.43 3.41 -1.10 -4.96 113.62 104.39 1i7p n SER 53 Ca -0.13 -2.49 0.11 0.00 -0.26 0.00 0.00 58.87 56.11 1i7p n SER 53 Cb 0.85 3.15 0.28 0.00 -0.26 0.00 0.00 64.21 68.23 1i7p n SER 53 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1i7p h HIS 54 N 1.89 0.70 -0.03 7.33 -0.00 -2.01 -2.97 115.15 120.06 1i7p h HIS 54 Ca -0.29 0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.12 1i7p h HIS 54 Cb 1.09 -0.17 -0.00 0.00 -0.00 0.00 0.00 27.41 28.33 1i7p h HIS 54 CO 0.00 0.04 -0.09 -0.40 -0.00 0.00 0.00 177.93 177.48 1i7p n ASP 55 N -4.98 2.35 -4.11 3.26 5.75 -1.26 -5.02 116.55 112.54 1i7p n ASP 55 Ca 0.20 -3.24 -0.19 0.00 -0.01 0.00 0.00 54.79 51.55 1i7p n ASP 55 Cb 0.58 -0.46 -0.14 0.00 -1.03 0.00 0.00 41.12 40.07 1i7p n ASP 55 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1i7p s THR 56 N -2.95 0.99 0.12 2.12 -4.23 -1.12 -0.86 115.64 109.71 1i7p s THR 56 Ca 0.34 -0.86 -0.04 0.00 -1.18 0.00 0.00 61.69 59.95 1i7p s THR 56 Cb 0.30 -0.89 -0.03 0.00 1.34 0.00 0.00 72.50 73.22 1i7p s THR 56 CO 0.02 0.03 0.12 -0.13 -0.54 0.00 0.00 174.62 174.11 1i7p s ARG 57 N -0.95 0.93 -0.11 3.99 1.81 -0.39 -1.52 118.95 122.71 1i7p s ARG 57 Ca 0.01 -1.28 0.02 0.00 -1.72 0.00 0.00 55.73 52.76 1i7p s ARG 57 Cb -0.07 0.28 0.01 0.00 -0.45 0.00 0.00 34.95 34.72 1i7p s ARG 57 CO 0.01 -0.28 -0.17 0.50 -0.68 0.00 0.00 175.30 174.68 1i7p s ARG 58 N -3.99 2.43 -0.17 3.54 3.52 -0.79 -1.25 118.95 122.25 1i7p s ARG 58 Ca 0.18 -0.64 -0.01 0.00 -0.13 0.00 0.00 55.73 55.12 1i7p s ARG 58 Cb 0.06 -2.02 -0.01 0.00 -1.56 0.00 0.00 34.95 31.43 1i7p s ARG 58 CO -0.02 -0.03 -0.11 -0.06 -0.81 0.00 0.00 175.30 174.28 1i7p s PHE 59 N 0.88 2.86 -0.14 5.12 0.08 0.17 -0.97 117.98 125.97 1i7p s PHE 59 Ca -0.08 -0.86 -0.01 0.00 0.12 0.00 0.00 56.93 56.10 1i7p s PHE 59 Cb -0.15 -1.95 -0.01 0.00 -0.57 0.00 0.00 43.02 40.34 1i7p s PHE 59 CO -0.01 -0.40 -0.12 0.50 -0.10 0.00 0.00 175.22 175.10 1i7p s ARG 60 N 0.86 3.38 0.03 0.44 3.52 -0.47 -1.14 118.95 125.57 1i7p s ARG 60 Ca -0.03 -0.68 0.07 0.00 -0.13 0.00 0.00 55.73 54.96 1i7p s ARG 60 Cb -0.15 -2.69 -0.03 0.00 -1.56 0.00 0.00 34.95 30.52 1i7p s ARG 60 CO 0.00 0.15 -0.18 -0.06 -0.81 0.00 0.00 175.30 174.40 1i7p s PHE 61 N 0.53 2.57 0.38 5.12 0.08 -0.50 -0.67 117.98 125.49 1i7p s PHE 61 Ca -0.08 -0.25 -0.23 0.00 0.12 0.00 0.00 56.93 56.49 1i7p s PHE 61 Cb -0.16 -1.48 -0.10 0.00 -0.57 0.00 0.00 43.02 40.71 1i7p s PHE 61 CO 0.04 0.24 0.95 0.00 -0.10 0.00 0.00 175.22 176.35 1i7p s ALA 62 N -0.90 3.12 0.73 5.36 0.00 -0.33 -1.24 121.76 128.50 1i7p s ALA 62 Ca 0.14 0.46 -0.03 0.00 0.00 0.00 0.00 51.96 52.54 1i7p s ALA 62 Cb -0.10 -3.17 0.12 0.00 0.00 0.00 0.00 23.12 19.97 1i7p s ALA 62 CO 0.05 0.14 1.01 -0.51 0.00 0.00 0.00 175.76 176.46 1i7p s LEU 63 N -2.64 2.96 0.57 0.00 1.43 0.04 -4.18 118.68 116.86 1i7p s LEU 63 Ca 0.56 -0.20 0.28 0.00 -1.03 0.00 0.00 54.13 53.74 1i7p s LEU 63 Cb -0.14 -2.17 1.50 0.00 0.03 0.00 0.00 46.19 45.41 1i7p s LEU 63 CO 0.18 -1.88 1.98 -0.65 0.23 0.00 0.00 176.35 176.21 1i7p h PRO 64 N -0.61 0.00 -3.57 1.29 0.11 -1.95 -3.43 132.00 123.84 1i7p h PRO 64 Ca -0.38 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.66 1i7p h PRO 64 Cb 1.27 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.25 1i7p h PRO 64 CO 0.42 0.00 -0.18 -1.54 -0.21 0.00 0.00 178.00 176.49 1i7p s SER 65 N -5.71 -0.10 0.34 -2.05 1.04 -1.26 -5.02 113.70 100.95 1i7p s SER 65 Ca -0.05 -0.50 0.25 0.00 0.48 0.00 0.00 55.95 56.13 1i7p s SER 65 Cb 0.17 0.44 1.23 0.00 0.10 0.00 0.00 66.02 67.96 1i7p s SER 65 CO 0.62 -0.84 1.75 -0.65 0.98 0.00 0.00 173.24 175.10 1i7p h PRO 66 N 2.49 0.00 -0.01 4.02 0.11 -1.86 -2.51 132.00 134.23 1i7p h PRO 66 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1i7p h PRO 66 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1i7p h PRO 66 CO 0.49 0.00 -0.31 1.04 -0.21 0.00 0.00 178.00 179.01 1i7p n GLN 67 N -2.36 1.26 -1.88 1.05 3.00 -1.26 -2.50 117.38 114.69 1i7p n GLN 67 Ca -0.00 -0.94 -0.31 0.00 -0.01 0.00 0.00 57.00 55.74 1i7p n GLN 67 Cb 0.11 -1.48 0.02 0.00 0.00 0.00 0.00 30.24 28.88 1i7p n GLN 67 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1i7p s HIS 68 N -2.39 3.58 0.28 1.08 3.76 -0.95 -4.78 115.29 115.88 1i7p s HIS 68 Ca 0.23 1.25 0.08 0.00 -0.15 0.00 0.00 55.06 56.46 1i7p s HIS 68 Cb 0.19 -2.78 -0.06 0.00 1.11 0.00 0.00 32.58 31.04 1i7p s HIS 68 CO 0.50 -0.77 -0.08 0.96 -0.85 0.00 0.00 174.74 174.49 1i7p s ILE 69 N -3.21 1.82 0.02 0.60 -4.36 -1.01 -0.67 121.20 114.39 1i7p s ILE 69 Ca 0.56 -2.17 -0.25 0.00 -0.26 0.00 0.00 60.65 58.52 1i7p s ILE 69 Cb -0.11 -2.43 -0.17 0.00 1.25 0.00 0.00 42.46 41.00 1i7p s ILE 69 CO 0.54 -0.32 1.35 0.25 0.24 0.00 0.00 174.94 177.00 1i7p h LEU 70 N 2.26 -0.23 -1.23 0.37 5.85 -1.87 -0.78 115.31 119.68 1i7p h LEU 70 Ca -0.40 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.11 1i7p h LEU 70 Cb 1.24 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1i7p h LEU 70 CO 0.67 0.09 0.00 0.61 -0.34 0.00 0.00 178.44 179.47 1i7p n GLY 71 N -0.39 0.57 3.09 3.75 0.00 -1.26 -1.83 105.19 109.12 1i7p n GLY 71 Ca -0.09 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 1i7p n GLY 71 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1i7p s LEU 72 N -1.23 3.94 0.58 0.99 2.96 -1.26 -4.68 118.68 119.99 1i7p s LEU 72 Ca 0.00 -1.56 -0.21 0.00 -0.22 0.00 0.00 54.13 52.14 1i7p s LEU 72 Cb 0.00 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 1i7p s LEU 72 CO 0.00 -0.27 1.35 -2.65 -1.32 0.00 0.00 176.35 173.46 1i7p n PRO 73 N 4.45 1.52 -1.88 0.98 -0.02 -1.26 -4.81 135.00 133.98 1i7p n PRO 73 Ca -0.09 0.57 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 1i7p n PRO 73 Cb 0.42 -2.58 -0.03 0.00 -0.02 0.00 0.00 33.50 31.30 1i7p n PRO 73 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1i7p s ILE 74 N -1.31 2.40 0.00 4.25 -1.09 -1.26 -2.11 121.20 122.08 1i7p s ILE 74 Ca 0.75 0.31 0.00 0.00 -2.23 0.00 0.00 60.65 59.48 1i7p s ILE 74 Cb -0.40 -3.20 0.00 0.00 -1.58 0.00 0.00 42.46 37.28 1i7p s ILE 74 CO 0.46 0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.82 1i7p n GLY 75 N 3.06 2.27 3.88 6.18 0.00 -1.26 -1.06 105.19 118.26 1i7p n GLY 75 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 1i7p n GLY 75 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1i7p s GLN 76 N -0.78 2.69 0.30 1.61 -0.21 -0.89 -4.62 119.66 117.76 1i7p s GLN 76 Ca 0.00 -1.36 0.03 0.00 0.02 0.00 0.00 55.36 54.05 1i7p s GLN 76 Cb 0.00 -2.49 -0.04 0.00 1.00 0.00 0.00 33.01 31.48 1i7p s GLN 76 CO 0.00 -0.04 0.14 -3.38 -2.12 0.00 0.00 175.29 169.89 1i7p s HIS 77 N -2.36 1.60 0.47 0.91 -3.43 -0.46 -4.89 115.29 107.13 1i7p s HIS 77 Ca 0.45 -1.32 0.05 0.00 -0.80 0.00 0.00 55.06 53.44 1i7p s HIS 77 Cb -0.05 -0.88 -0.02 0.00 -1.43 0.00 0.00 32.58 30.19 1i7p s HIS 77 CO 0.28 -0.47 0.19 0.96 -2.00 0.00 0.00 174.74 173.71 1i7p s ILE 78 N -3.62 1.87 0.02 -5.38 -5.25 -0.84 -1.24 121.20 106.77 1i7p s ILE 78 Ca 0.36 -1.72 0.06 0.00 -0.99 0.00 0.00 60.65 58.35 1i7p s ILE 78 Cb 0.05 -2.59 -0.02 0.00 2.95 0.00 0.00 42.46 42.86 1i7p s ILE 78 CO 0.17 0.00 -0.17 -0.31 -1.79 0.00 0.00 174.94 172.84 1i7p s TYR 79 N -2.71 1.50 0.05 1.37 1.51 -0.46 -1.44 117.35 117.17 1i7p s TYR 79 Ca 0.31 -0.32 0.02 0.00 -1.01 0.00 0.00 57.07 56.07 1i7p s TYR 79 Cb 0.02 -0.93 -0.04 0.00 -0.11 0.00 0.00 41.96 40.91 1i7p s TYR 79 CO 0.18 0.03 0.07 -0.51 -1.11 0.00 0.00 175.55 174.20 1i7p s LEU 80 N -0.81 3.77 -0.03 -1.29 1.43 -0.68 -1.78 118.68 119.29 1i7p s LEU 80 Ca 0.05 0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 53.06 1i7p s LEU 80 Cb -0.07 -2.37 0.02 0.00 0.03 0.00 0.00 46.19 43.79 1i7p s LEU 80 CO 0.01 0.21 0.24 -0.94 0.23 0.00 0.00 176.35 176.09 1i7p s SER 81 N -2.15 -0.14 0.09 2.29 1.04 -0.77 -2.06 113.70 112.00 1i7p s SER 81 Ca 0.27 0.11 -0.27 0.00 0.48 0.00 0.00 55.95 56.54 1i7p s SER 81 Cb -0.12 0.34 0.08 0.00 0.10 0.00 0.00 66.02 66.42 1i7p s SER 81 CO 0.19 -0.33 1.04 0.28 0.98 0.00 0.00 173.24 175.39 1i7p s THR 82 N -0.96 0.00 -0.17 2.02 -1.32 -0.95 -3.43 115.64 110.82 1i7p s THR 82 Ca -0.10 -0.49 -0.14 0.00 -1.21 0.00 0.00 61.69 59.75 1i7p s THR 82 Cb -0.05 -1.88 -0.04 0.00 -1.51 0.00 0.00 72.50 69.01 1i7p s THR 82 CO 0.02 0.00 0.31 -0.13 -2.21 0.00 0.00 174.62 172.62 1i7p s ARG 83 N -3.05 4.23 -0.02 7.08 0.52 -1.26 -1.32 118.95 125.13 1i7p s ARG 83 Ca 0.12 0.11 0.00 0.00 -0.52 0.00 0.00 55.73 55.44 1i7p s ARG 83 Cb 0.00 -3.46 0.03 0.00 0.52 0.00 0.00 34.95 32.04 1i7p s ARG 83 CO -0.00 0.16 0.03 -1.50 0.02 0.00 0.00 175.30 174.00 1i7p s ILE 84 N 0.71 -0.04 -1.49 1.52 1.10 0.17 -4.79 121.20 118.37 1i7p s ILE 84 Ca 0.17 0.21 -0.05 0.00 -0.51 0.00 0.00 60.65 60.47 1i7p s ILE 84 Cb -0.13 -0.10 0.02 0.00 0.15 0.00 0.00 42.46 42.40 1i7p s ILE 84 CO 0.05 0.10 0.49 -0.67 -2.11 0.00 0.00 174.94 172.80 1i7p n ASP 85 N 4.20 -5.47 0.00 4.50 4.64 -1.26 -1.68 116.55 121.48 1i7p n ASP 85 Ca -0.28 -0.26 0.00 0.00 -1.38 0.00 0.00 54.79 52.88 1i7p n ASP 85 Cb 0.50 -4.46 0.00 0.00 -1.04 0.00 0.00 41.12 36.12 1i7p n ASP 85 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1i7p n GLY 86 N -1.36 0.40 3.28 0.27 0.00 -1.26 -5.03 105.19 101.50 1i7p n GLY 86 Ca -0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 1i7p n GLY 86 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1i7p s ASN 87 N -2.03 2.40 0.01 1.61 0.01 -0.68 -5.12 114.94 111.14 1i7p s ASN 87 Ca 0.00 -0.75 -0.29 0.00 -0.71 0.00 0.00 52.86 51.10 1i7p s ASN 87 Cb 0.00 -0.12 -0.04 0.00 0.41 0.00 0.00 41.25 41.50 1i7p s ASN 87 CO 0.00 -0.02 0.95 -0.22 -1.51 0.00 0.00 177.10 176.30 1i7p s LEU 88 N -2.22 4.39 -0.08 0.60 2.96 -1.26 -0.66 118.68 122.40 1i7p s LEU 88 Ca 0.09 1.63 0.03 0.00 -0.22 0.00 0.00 54.13 55.66 1i7p s LEU 88 Cb -0.08 -3.52 0.01 0.00 0.50 0.00 0.00 46.19 43.10 1i7p s LEU 88 CO 0.05 -0.21 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.00 1i7p s VAL 89 N 0.81 1.55 -0.05 1.68 1.01 -0.44 -4.95 120.40 120.01 1i7p s VAL 89 Ca 0.50 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.79 1i7p s VAL 89 Cb -0.21 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 34.80 1i7p s VAL 89 CO 0.27 0.45 -0.13 -0.63 0.00 0.00 0.00 175.10 175.06 1i7p s ILE 90 N 0.58 1.12 -0.03 2.22 1.01 -1.26 -2.24 121.20 122.60 1i7p s ILE 90 Ca -0.15 -0.51 -0.05 0.00 0.00 0.00 0.00 60.65 59.93 1i7p s ILE 90 Cb -0.17 -1.00 0.01 0.00 0.01 0.00 0.00 42.46 41.31 1i7p s ILE 90 CO 0.05 0.34 0.12 -0.13 0.00 0.00 0.00 174.94 175.32 1i7p s ARG 91 N 0.36 0.27 0.23 2.79 1.81 -0.87 -4.99 118.95 118.54 1i7p s ARG 91 Ca -0.08 -0.06 -0.17 0.00 -1.72 0.00 0.00 55.73 53.70 1i7p s ARG 91 Cb -0.13 0.12 -0.08 0.00 -0.45 0.00 0.00 34.95 34.41 1i7p s ARG 91 CO 0.02 -0.05 0.68 -1.25 -0.68 0.00 0.00 175.30 174.02 1i7p s PRO 92 N -0.50 4.11 -0.03 3.54 0.04 -1.26 -1.69 135.00 139.21 1i7p s PRO 92 Ca -0.06 0.71 -0.05 0.00 0.04 0.00 0.00 61.00 61.64 1i7p s PRO 92 Cb -0.04 -2.78 0.01 0.00 0.04 0.00 0.00 34.50 31.73 1i7p s PRO 92 CO 0.00 0.36 0.13 0.71 0.04 0.00 0.00 177.00 178.24 1i7p s TYR 93 N -1.62 -0.06 -0.28 0.56 2.02 -0.52 -4.97 117.35 112.48 1i7p s TYR 93 Ca 0.44 0.15 -0.04 0.00 -0.37 0.00 0.00 57.07 57.25 1i7p s TYR 93 Cb -0.15 0.00 0.02 0.00 -0.40 0.00 0.00 41.96 41.44 1i7p s TYR 93 CO 0.20 -0.15 0.01 0.99 -1.57 0.00 0.00 175.55 175.03 1i7p s THR 94 N -0.51 3.35 0.89 -0.71 2.01 -1.26 -1.98 115.64 117.43 1i7p s THR 94 Ca -0.06 -0.97 -0.12 0.00 0.31 0.00 0.00 61.69 60.85 1i7p s THR 94 Cb -0.04 -2.76 0.11 0.00 0.01 0.00 0.00 72.50 69.82 1i7p s THR 94 CO 0.01 0.08 1.02 -2.65 -0.69 0.00 0.00 174.62 172.38 1i7p n PRO 95 N 4.74 -0.25 0.01 4.92 -0.02 -1.26 -4.79 135.00 138.35 1i7p n PRO 95 Ca -0.15 -0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.44 1i7p n PRO 95 Cb 0.47 -2.29 0.03 0.00 -0.02 0.00 0.00 33.50 31.69 1i7p n PRO 95 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 1i7p n VAL 96 N -3.84 0.05 -2.04 -1.45 0.24 -0.25 -4.87 118.33 106.18 1i7p n VAL 96 Ca 0.11 -0.09 -0.29 0.00 -2.04 0.00 0.00 64.34 62.03 1i7p n VAL 96 Cb 0.52 0.49 0.19 0.00 -1.47 0.00 0.00 33.84 33.57 1i7p n VAL 96 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1i7p s SER 97 N -3.34 3.06 0.35 -1.34 1.04 -1.23 -5.00 113.70 107.23 1i7p s SER 97 Ca 0.07 0.07 0.05 0.00 0.48 0.00 0.00 55.95 56.62 1i7p s SER 97 Cb 0.16 -0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.18 1i7p s SER 97 CO 0.80 -2.75 0.36 -0.94 0.98 0.00 0.00 173.24 171.68 1i7p s SER 98 N -4.93 1.57 0.00 7.02 1.04 -1.26 -4.96 113.70 112.18 1i7p s SER 98 Ca 0.75 -1.72 0.15 0.00 0.48 0.00 0.00 55.95 55.61 1i7p s SER 98 Cb -0.03 0.61 0.75 0.00 0.10 0.00 0.00 66.02 67.46 1i7p s SER 98 CO 0.52 -1.17 1.38 0.47 0.98 0.00 0.00 173.24 175.43 1i7p n ASP 99 N -1.63 0.00 0.23 7.02 8.00 -1.26 -1.69 116.55 127.22 1i7p n ASP 99 Ca 0.06 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.69 1i7p n ASP 99 Cb 0.62 -0.25 0.34 0.00 -0.02 0.00 0.00 41.12 41.82 1i7p n ASP 99 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1i7p h ASP 100 N 0.00 0.00 -3.37 -2.24 3.45 -2.01 -3.45 116.42 108.80 1i7p h ASP 100 Ca 0.00 0.00 -0.56 0.00 0.43 0.00 0.00 57.03 56.90 1i7p h ASP 100 Cb 0.12 0.00 -0.05 0.00 -0.56 0.00 0.00 39.33 38.84 1i7p h ASP 100 CO 0.00 0.07 0.18 -1.81 -1.57 0.00 0.00 179.24 176.11 1i7p s ASP 101 N -6.07 7.06 -0.15 6.45 1.01 -0.68 -5.06 116.67 119.22 1i7p s ASP 101 Ca 0.04 1.29 -0.05 0.00 0.71 0.00 0.00 52.55 54.54 1i7p s ASP 101 Cb 0.07 -2.45 -0.03 0.00 1.01 0.00 0.00 42.92 41.52 1i7p s ASP 101 CO 0.64 -0.18 0.01 -0.54 0.21 0.00 0.00 175.17 175.31 1i7p s LYS 102 N 1.01 3.67 0.00 8.23 1.02 -1.26 -4.57 119.74 127.84 1i7p s LYS 102 Ca 0.41 -0.43 0.00 0.00 0.02 0.00 0.00 55.97 55.97 1i7p s LYS 102 Cb -0.18 -3.01 0.00 0.00 -0.52 0.00 0.00 37.83 34.11 1i7p s LYS 102 CO 0.20 0.34 0.00 0.41 -0.92 0.00 0.00 175.35 175.38 1i7p n GLY 103 N 3.27 2.18 3.37 -3.33 0.00 0.15 -4.86 105.19 105.98 1i7p n GLY 103 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 1i7p n GLY 103 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1i7p s PHE 104 N -2.32 0.31 -0.02 1.61 -0.12 -1.26 -0.78 117.98 115.40 1i7p s PHE 104 Ca 0.00 -0.67 0.02 0.00 -0.05 0.00 0.00 56.93 56.23 1i7p s PHE 104 Cb 0.00 0.02 0.01 0.00 -0.63 0.00 0.00 43.02 42.42 1i7p s PHE 104 CO 0.00 -0.76 -0.07 0.54 -0.05 0.00 0.00 175.22 174.89 1i7p s VAL 105 N -3.95 0.59 -0.14 -2.49 0.11 -0.38 -4.82 120.40 109.33 1i7p s VAL 105 Ca 0.16 -0.25 -0.02 0.00 -2.93 0.00 0.00 61.98 58.93 1i7p s VAL 105 Cb 0.03 -0.54 -0.02 0.00 -1.53 0.00 0.00 36.38 34.31 1i7p s VAL 105 CO -0.00 0.20 -0.07 -1.81 -3.33 0.00 0.00 175.10 170.09 1i7p s ASP 106 N 0.27 4.58 -0.05 3.54 1.01 -1.26 -1.41 116.67 123.35 1i7p s ASP 106 Ca -0.03 -0.17 0.06 0.00 0.71 0.00 0.00 52.55 53.12 1i7p s ASP 106 Cb -0.08 -1.68 -0.02 0.00 1.01 0.00 0.00 42.92 42.15 1i7p s ASP 106 CO 0.00 0.19 -0.24 -0.76 0.21 0.00 0.00 175.17 174.57 1i7p s LEU 107 N 0.25 2.16 -0.17 1.23 1.43 -0.29 -1.09 118.68 122.19 1i7p s LEU 107 Ca -0.05 -0.46 -0.04 0.00 -1.03 0.00 0.00 54.13 52.56 1i7p s LEU 107 Cb -0.14 -1.39 -0.03 0.00 0.03 0.00 0.00 46.19 44.66 1i7p s LEU 107 CO 0.04 0.28 -0.02 -0.69 0.23 0.00 0.00 176.35 176.18 1i7p s VAL 108 N -0.35 3.90 0.00 -1.59 1.01 -1.26 -0.66 120.40 121.45 1i7p s VAL 108 Ca 0.02 -0.34 0.02 0.00 0.00 0.00 0.00 61.98 61.68 1i7p s VAL 108 Cb -0.12 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 1i7p s VAL 108 CO 0.02 0.47 -0.08 -0.69 0.00 0.00 0.00 175.10 174.82 1i7p s VAL 109 N 0.63 0.60 -0.21 2.92 1.01 -0.38 -4.99 120.40 119.98 1i7p s VAL 109 Ca -0.02 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.42 1i7p s VAL 109 Cb -0.14 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.67 1i7p s VAL 109 CO 0.02 0.10 0.23 -0.75 0.00 0.00 0.00 175.10 174.70 1i7p s LYS 110 N -0.36 4.16 -0.23 2.72 2.20 -1.26 -1.27 119.74 125.71 1i7p s LYS 110 Ca 0.02 -0.09 -0.16 0.00 -0.36 0.00 0.00 55.97 55.38 1i7p s LYS 110 Cb -0.04 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 1i7p s LYS 110 CO -0.00 0.13 0.42 0.08 -0.36 0.00 0.00 175.35 175.62 1i7p s VAL 111 N 0.82 5.16 -0.74 4.02 1.01 -0.04 -4.85 120.40 125.79 1i7p s VAL 111 Ca 0.12 0.72 -0.17 0.00 0.00 0.00 0.00 61.98 62.65 1i7p s VAL 111 Cb -0.13 -3.75 0.15 0.00 0.00 0.00 0.00 36.38 32.65 1i7p s VAL 111 CO 0.04 0.20 0.79 -0.31 0.00 0.00 0.00 175.10 175.82 1i7p s TYR 112 N 1.67 3.31 0.42 5.22 2.02 -1.26 -4.90 117.35 123.84 1i7p s TYR 112 Ca 0.19 -1.44 -0.24 0.00 -0.37 0.00 0.00 57.07 55.21 1i7p s TYR 112 Cb -0.15 -3.98 -0.08 0.00 -0.40 0.00 0.00 41.96 37.34 1i7p s TYR 112 CO 0.09 -1.21 1.19 -0.06 -1.57 0.00 0.00 175.55 173.99 1i7p s PHE 113 N 1.72 2.95 0.77 2.71 0.08 -1.26 -0.43 117.98 124.53 1i7p s PHE 113 Ca 0.17 1.52 -0.11 0.00 0.12 0.00 0.00 56.93 58.64 1i7p s PHE 113 Cb -0.16 -3.44 0.05 0.00 -0.57 0.00 0.00 43.02 38.91 1i7p s PHE 113 CO -0.03 -1.52 1.08 -1.59 -0.10 0.00 0.00 175.22 173.06 1i7p s LYS 114 N -2.43 2.31 -1.45 0.44 -2.85 -1.26 -3.90 119.74 110.59 1i7p s LYS 114 Ca 0.59 0.97 -0.01 0.00 -1.00 0.00 0.00 55.97 56.53 1i7p s LYS 114 Cb -0.31 -1.92 0.00 0.00 -2.06 0.00 0.00 37.83 33.54 1i7p s LYS 114 CO 0.39 -1.55 0.27 0.39 0.10 0.00 0.00 175.35 174.95 1i7p n GLU 115 N -3.43 -2.38 0.00 1.78 1.02 0.16 -4.80 120.64 112.99 1i7p n GLU 115 Ca 0.08 0.29 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 1i7p n GLU 115 Cb 0.54 -4.16 0.00 0.00 -0.02 0.00 0.00 31.44 27.80 1i7p n GLU 115 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1i7p n THR 116 N -4.47 0.00 -4.50 2.62 -1.04 -1.25 -5.03 114.28 100.61 1i7p n THR 116 Ca -0.32 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.38 1i7p n THR 116 Cb 0.69 -0.36 -0.16 0.00 -1.82 0.00 0.00 70.33 68.67 1i7p n THR 116 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 1i7p s HIS 117 N -1.41 2.55 0.62 -1.42 5.65 -1.26 -5.02 115.29 115.00 1i7p s HIS 117 Ca 0.00 -1.33 0.30 0.00 0.25 0.00 0.00 55.06 54.29 1i7p s HIS 117 Cb 0.00 -1.76 1.67 0.00 -1.18 0.00 0.00 32.58 31.32 1i7p s HIS 117 CO 0.00 -0.63 2.03 -1.00 -0.65 0.00 0.00 174.74 174.48 1i7p h PRO 118 N 7.50 0.00 -0.00 2.88 0.13 -1.99 -1.10 132.00 139.42 1i7p h PRO 118 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 1i7p h PRO 118 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1i7p h PRO 118 CO 0.56 0.00 -0.53 1.63 -0.23 0.00 0.00 178.00 179.43 1i7p n LYS 119 N -3.47 0.25 -3.11 0.86 5.02 -1.26 -4.49 118.16 111.97 1i7p n LYS 119 Ca 0.02 -0.17 -0.20 0.00 -2.02 0.00 0.00 58.31 55.95 1i7p n LYS 119 Cb 0.40 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.88 1i7p n LYS 119 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1i7p n PHE 120 N -1.23 -0.76 0.02 2.13 3.72 -0.42 -4.99 117.46 115.93 1i7p n PHE 120 Ca 0.07 -3.31 0.17 0.00 -0.05 0.00 0.00 57.45 54.33 1i7p n PHE 120 Cb 0.34 -0.00 0.65 0.00 -0.94 0.00 0.00 39.48 39.53 1i7p n PHE 120 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1i7p h PRO 121 N 3.69 0.07 0.00 -1.08 0.13 -1.77 -1.79 132.00 131.26 1i7p h PRO 121 Ca 0.04 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1i7p h PRO 121 Cb 0.94 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1i7p h PRO 121 CO 0.43 0.05 0.00 0.00 -0.23 0.00 0.00 178.00 178.25 1i7p h ALA 122 N 1.77 1.00 -0.64 -0.56 0.00 -1.92 0.45 119.26 119.36 1i7p h ALA 122 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1i7p h ALA 122 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1i7p h ALA 122 CO -0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.64 1i7p n GLY 123 N 1.12 -1.07 3.81 0.00 0.00 -0.67 -4.43 105.19 103.94 1i7p n GLY 123 Ca 0.05 -1.18 -0.37 0.00 0.00 0.00 0.00 46.02 44.52 1i7p n GLY 123 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i7p s GLY 124 N -2.42 2.23 0.01 -0.02 0.00 0.43 -4.94 107.32 102.62 1i7p s GLY 124 Ca 0.00 -0.49 -0.17 0.00 0.00 0.00 0.00 44.72 44.05 1i7p s GLY 124 CO 0.00 0.05 1.03 0.50 0.00 0.00 0.00 173.10 174.68 1i7p h LYS 125 N 5.62 -0.61 -0.46 2.90 1.57 -1.88 -2.82 116.57 120.89 1i7p h LYS 125 Ca -0.48 0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.20 1i7p h LYS 125 Cb 1.20 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.63 1i7p h LYS 125 CO 0.66 -0.41 -0.25 1.98 -0.57 0.00 0.00 179.45 180.87 1i7p h MET 126 N -0.77 0.97 -0.33 3.15 4.05 -1.97 -2.09 114.93 117.93 1i7p h MET 126 Ca -0.06 -0.43 -0.09 0.00 -0.28 0.00 0.00 59.70 58.84 1i7p h MET 126 Cb 0.48 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 31.24 1i7p h MET 126 CO 0.11 1.10 -0.17 0.66 0.23 0.00 0.00 176.91 178.83 1i7p h SER 127 N 0.83 0.59 0.60 1.39 4.64 -1.89 -1.50 113.55 118.21 1i7p h SER 127 Ca 0.10 -0.18 -0.16 0.00 -0.47 0.00 0.00 61.79 61.08 1i7p h SER 127 Cb 0.82 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.74 1i7p h SER 127 CO 0.07 0.78 -0.72 1.56 -0.87 0.00 0.00 176.83 177.64 1i7p h GLN 128 N 0.54 0.10 -0.62 4.77 4.20 -1.45 -2.63 115.11 120.02 1i7p h GLN 128 Ca 0.09 -0.09 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1i7p h GLN 128 Cb 0.60 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 1i7p h GLN 128 CO 0.04 0.78 0.24 -0.92 -0.67 0.00 0.00 178.83 178.30 1i7p h TYR 129 N 0.07 0.95 -0.19 2.96 3.20 -0.91 -2.08 116.97 120.97 1i7p h TYR 129 Ca -0.02 -0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 1i7p h TYR 129 Cb 1.28 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 39.26 1i7p h TYR 129 CO 0.01 0.76 0.09 -0.07 -1.64 0.00 0.00 178.16 177.31 1i7p h LEU 130 N 0.87 0.26 -2.22 2.82 3.38 -1.20 -2.42 115.31 116.80 1i7p h LEU 130 Ca 0.21 -0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1i7p h LEU 130 Cb 0.22 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1i7p h LEU 130 CO -0.02 0.32 0.18 -0.08 0.09 0.00 0.00 178.44 178.94 1i7p h GLU 131 N 0.18 0.00 -0.01 1.13 4.57 -1.27 -1.48 114.58 117.68 1i7p h GLU 131 Ca 0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1i7p h GLU 131 Cb 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 1i7p h GLU 131 CO -0.01 0.00 -0.18 0.09 -1.18 0.00 0.00 179.01 177.73 1i7p n ASN 132 N -3.90 1.66 -4.79 1.04 3.02 -0.80 -4.95 115.26 106.54 1i7p n ASN 132 Ca 0.01 -1.36 -0.34 0.00 -0.03 0.00 0.00 54.58 52.87 1i7p n ASN 132 Cb 0.31 0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.62 1i7p n ASN 132 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1i7p s MET 133 N -2.26 3.34 0.06 3.52 -1.94 -0.56 -5.06 119.30 116.41 1i7p s MET 133 Ca 0.28 1.36 0.01 0.00 -1.71 0.00 0.00 55.69 55.63 1i7p s MET 133 Cb 0.20 -2.03 -0.04 0.00 2.01 0.00 0.00 34.83 34.97 1i7p s MET 133 CO 0.44 -0.81 0.13 -0.80 -0.01 0.00 0.00 175.02 173.97 1i7p s ASN 134 N -2.36 5.89 0.32 3.03 0.01 -1.26 -5.04 114.94 115.54 1i7p s ASN 134 Ca 0.67 0.12 -0.29 0.00 -0.71 0.00 0.00 52.86 52.65 1i7p s ASN 134 Cb -0.18 -1.70 -0.12 0.00 0.41 0.00 0.00 41.25 39.66 1i7p s ASN 134 CO 0.32 0.18 1.38 -0.38 -1.51 0.00 0.00 177.10 177.08 1i7p n ILE 135 N 0.45 1.67 0.00 0.60 -0.00 -1.26 -1.03 119.36 119.78 1i7p n ILE 135 Ca -0.07 -0.42 0.00 0.00 -0.00 0.00 0.00 62.75 62.26 1i7p n ILE 135 Cb 0.51 -1.65 0.00 0.00 -0.00 0.00 0.00 39.64 38.50 1i7p n ILE 135 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1i7p n GLY 136 N 1.17 3.37 3.78 7.39 0.00 0.11 -5.00 105.19 116.01 1i7p n GLY 136 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1i7p n GLY 136 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i7p s ASP 137 N -0.62 5.13 0.28 1.61 1.01 -0.20 -4.66 116.67 119.21 1i7p s ASP 137 Ca 0.00 1.89 0.11 0.00 0.71 0.00 0.00 52.55 55.26 1i7p s ASP 137 Cb 0.00 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.35 1i7p s ASP 137 CO 0.00 -1.62 -0.11 0.42 0.21 0.00 0.00 175.17 174.07 1i7p s THR 138 N -2.55 2.85 -0.04 -1.27 -4.23 -1.26 -1.10 115.64 108.04 1i7p s THR 138 Ca 0.64 -2.19 -0.08 0.00 -1.18 0.00 0.00 61.69 58.89 1i7p s THR 138 Cb -0.18 -2.55 0.01 0.00 1.34 0.00 0.00 72.50 71.12 1i7p s THR 138 CO 0.45 -0.37 0.19 -0.51 -0.54 0.00 0.00 174.62 173.84 1i7p s ILE 139 N -2.44 0.03 0.09 2.99 1.10 -0.76 -4.92 121.20 117.29 1i7p s ILE 139 Ca 0.31 -0.28 -0.31 0.00 -0.51 0.00 0.00 60.65 59.86 1i7p s ILE 139 Cb -0.05 -0.37 -0.06 0.00 0.15 0.00 0.00 42.46 42.13 1i7p s ILE 139 CO 0.17 -0.15 1.21 -1.61 -2.11 0.00 0.00 174.94 172.45 1i7p s GLU 140 N -0.53 4.44 0.07 3.50 2.02 -1.22 -1.43 118.70 125.54 1i7p s GLU 140 Ca -0.06 1.80 0.08 0.00 0.02 0.00 0.00 54.97 56.81 1i7p s GLU 140 Cb -0.04 -3.32 -0.03 0.00 0.10 0.00 0.00 34.13 30.83 1i7p s GLU 140 CO 0.01 -0.23 -0.20 -0.06 0.02 0.00 0.00 175.26 174.80 1i7p s PHE 141 N 0.86 2.50 0.02 1.61 0.40 -0.19 -1.84 117.98 121.34 1i7p s PHE 141 Ca 0.58 -0.29 -0.11 0.00 -0.60 0.00 0.00 56.93 56.51 1i7p s PHE 141 Cb -0.30 -1.40 0.01 0.00 0.51 0.00 0.00 43.02 41.84 1i7p s PHE 141 CO 0.30 0.28 0.24 -0.98 0.70 0.00 0.00 175.22 175.76 1i7p s ARG 142 N -1.66 0.68 0.00 0.44 1.70 -0.73 -0.52 118.95 118.86 1i7p s ARG 142 Ca 0.15 -0.47 0.00 0.00 -0.47 0.00 0.00 55.73 54.94 1i7p s ARG 142 Cb -0.10 0.29 0.00 0.00 -0.57 0.00 0.00 34.95 34.57 1i7p s ARG 142 CO 0.06 -0.20 0.00 0.41 -1.08 0.00 0.00 175.30 174.49 1i7p n GLY 143 N 0.90 -1.80 3.85 3.88 0.00 -1.26 -1.36 105.19 109.41 1i7p n GLY 143 Ca -0.20 -1.26 -0.32 0.00 0.00 0.00 0.00 46.02 44.24 1i7p n GLY 143 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i7p s PRO 144 N -2.00 3.92 0.02 1.61 0.04 -1.26 -3.55 135.00 133.78 1i7p s PRO 144 Ca 0.00 0.78 0.00 0.00 0.04 0.00 0.00 61.00 61.83 1i7p s PRO 144 Cb 0.00 -2.25 -0.01 0.00 0.04 0.00 0.00 34.50 32.28 1i7p s PRO 144 CO 0.00 -0.14 -0.03 -0.80 0.04 0.00 0.00 177.00 176.07 1i7p s ASN 145 N -2.98 0.24 0.00 6.66 0.01 -0.37 -4.91 114.94 113.60 1i7p s ASN 145 Ca 0.56 -0.36 0.00 0.00 -0.71 0.00 0.00 52.86 52.35 1i7p s ASN 145 Cb -0.10 0.06 0.00 0.00 0.41 0.00 0.00 41.25 41.62 1i7p s ASN 145 CO 0.29 -0.20 0.00 0.61 -1.51 0.00 0.00 177.10 176.29 1i7p n GLY 146 N 2.03 4.69 0.00 0.66 0.00 -1.26 -1.36 105.19 109.96 1i7p n GLY 146 Ca -0.20 -1.12 0.14 0.00 0.00 0.00 0.00 46.02 44.84 1i7p n GLY 146 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i7p n LEU 147 N 0.00 0.00 -4.33 0.99 4.77 -1.26 -4.84 117.00 112.34 1i7p n LEU 147 Ca 0.00 0.44 -0.32 0.00 -0.03 0.00 0.00 56.01 56.10 1i7p n LEU 147 Cb 0.00 -0.44 -0.16 0.00 -2.33 0.00 0.00 43.42 40.50 1i7p n LEU 147 CO 0.00 -0.00 -0.54 -0.22 -1.33 0.00 0.00 177.39 175.30 1i7p s LEU 148 N -2.88 2.22 -0.05 2.23 0.20 -1.26 -1.22 118.68 117.92 1i7p s LEU 148 Ca 0.18 -0.43 0.01 0.00 0.69 0.00 0.00 54.13 54.59 1i7p s LEU 148 Cb 0.19 -1.41 0.02 0.00 -0.43 0.00 0.00 46.19 44.56 1i7p s LEU 148 CO 0.51 0.29 -0.07 -0.69 -0.29 0.00 0.00 176.35 176.09 1i7p s VAL 149 N -0.40 0.77 -0.29 1.68 1.01 -0.54 -3.92 120.40 118.71 1i7p s VAL 149 Ca 0.04 -0.26 -0.21 0.00 0.00 0.00 0.00 61.98 61.55 1i7p s VAL 149 Cb -0.12 -0.75 -0.01 0.00 0.00 0.00 0.00 36.38 35.50 1i7p s VAL 149 CO 0.02 0.28 0.65 -0.47 0.00 0.00 0.00 175.10 175.57 1i7p s TYR 150 N 0.83 3.23 -2.44 5.22 5.04 -0.22 -1.18 117.35 127.83 1i7p s TYR 150 Ca -0.12 0.67 0.23 0.00 -2.44 0.00 0.00 57.07 55.41 1i7p s TYR 150 Cb -0.15 -2.98 0.70 0.00 0.35 0.00 0.00 41.96 39.88 1i7p s TYR 150 CO 0.01 -0.45 1.53 1.04 -1.34 0.00 0.00 175.55 176.35 1i7p n GLN 151 N 5.88 1.92 0.00 4.97 6.02 0.08 -4.54 117.38 131.72 1i7p n GLN 151 Ca -0.00 -1.37 0.00 0.00 -0.01 0.00 0.00 57.00 55.62 1i7p n GLN 151 Cb 0.49 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 30.30 1i7p n GLN 151 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1i7p n GLY 152 N 1.23 0.76 4.09 1.08 0.00 -1.24 -4.86 105.19 106.25 1i7p n GLY 152 Ca 0.17 -1.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.14 1i7p n GLY 152 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i7p n LYS 153 N 0.80 -3.06 -0.94 1.61 5.02 -1.26 -1.48 118.16 118.85 1i7p n LYS 153 Ca 0.00 0.37 0.00 0.00 -2.02 0.00 0.00 58.31 56.66 1i7p n LYS 153 Cb 0.00 -4.67 0.00 0.00 -0.02 0.00 0.00 35.03 30.34 1i7p n LYS 153 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i7p n GLY 154 N -1.81 0.62 3.68 0.72 0.00 -1.26 -4.89 105.19 102.25 1i7p n GLY 154 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 1i7p n GLY 154 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i7p s LYS 155 N -0.31 4.24 -0.11 1.61 1.02 -0.55 -0.99 119.74 124.65 1i7p s LYS 155 Ca 0.00 0.45 0.03 0.00 0.02 0.00 0.00 55.97 56.47 1i7p s LYS 155 Cb 0.00 -3.52 0.01 0.00 -0.52 0.00 0.00 37.83 33.79 1i7p s LYS 155 CO 0.00 -0.06 -0.22 -0.06 -0.92 0.00 0.00 175.35 174.09 1i7p s PHE 156 N 1.34 2.44 -0.35 3.18 0.40 0.12 -0.74 117.98 124.37 1i7p s PHE 156 Ca 0.25 -1.08 -0.10 0.00 -0.60 0.00 0.00 56.93 55.40 1i7p s PHE 156 Cb -0.15 -1.66 0.02 0.00 0.51 0.00 0.00 43.02 41.73 1i7p s PHE 156 CO 0.10 -0.47 0.19 0.00 0.70 0.00 0.00 175.22 175.74 1i7p s ALA 157 N 0.56 3.27 -0.09 5.36 0.00 -0.32 -1.42 121.76 129.11 1i7p s ALA 157 Ca -0.14 -1.62 0.04 0.00 0.00 0.00 0.00 51.96 50.23 1i7p s ALA 157 Cb -0.17 -2.52 0.00 0.00 0.00 0.00 0.00 23.12 20.43 1i7p s ALA 157 CO 0.05 -1.24 -0.22 0.42 0.00 0.00 0.00 175.76 174.77 1i7p s ILE 158 N 1.57 1.88 -0.06 0.00 1.01 -0.60 -1.47 121.20 123.53 1i7p s ILE 158 Ca 0.03 -0.92 -0.15 0.00 0.00 0.00 0.00 60.65 59.61 1i7p s ILE 158 Cb -0.19 -1.64 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 1i7p s ILE 158 CO 0.06 0.52 0.38 -0.13 0.00 0.00 0.00 174.94 175.78 1i7p s ARG 159 N 0.41 4.01 0.32 2.79 0.52 -0.36 -1.32 118.95 125.33 1i7p s ARG 159 Ca -0.18 0.33 0.01 0.00 -0.52 0.00 0.00 55.73 55.37 1i7p s ARG 159 Cb -0.18 -3.29 0.52 0.00 0.52 0.00 0.00 34.95 32.53 1i7p s ARG 159 CO 0.08 0.53 1.92 0.00 0.02 0.00 0.00 175.30 177.85 1i7p h ALA 160 N 5.40 1.38 -2.74 2.13 0.00 -1.86 -3.46 119.26 120.11 1i7p h ALA 160 Ca -0.48 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 54.40 1i7p h ALA 160 Cb 1.20 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 1i7p h ALA 160 CO 0.66 0.48 0.37 0.16 0.00 0.00 0.00 179.25 180.92 1i7p s ASP 161 N -6.54 -0.14 0.65 0.00 1.47 -1.26 -5.04 116.67 105.81 1i7p s ASP 161 Ca -0.10 -0.68 0.34 0.00 1.18 0.00 0.00 52.55 53.29 1i7p s ASP 161 Cb 0.17 0.65 1.86 0.00 -0.34 0.00 0.00 42.92 45.26 1i7p s ASP 161 CO 0.78 -1.24 2.09 0.11 0.68 0.00 0.00 175.17 177.58 1i7p h LYS 162 N 2.00 0.00 -0.67 2.11 1.57 -2.00 -2.44 116.57 117.14 1i7p h LYS 162 Ca -0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 1i7p h LYS 162 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1i7p h LYS 162 CO 0.30 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.81 1i7p n LYS 163 N -3.18 2.98 -4.40 3.15 5.02 -1.26 -4.96 118.16 115.51 1i7p n LYS 163 Ca -0.01 -2.53 -0.25 0.00 -2.02 0.00 0.00 58.31 53.50 1i7p n LYS 163 Cb 0.30 -1.66 -0.10 0.00 -0.02 0.00 0.00 35.03 33.55 1i7p n LYS 163 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1i7p s SER 164 N -0.94 3.84 0.46 4.39 0.01 -0.92 -5.12 113.70 115.41 1i7p s SER 164 Ca 0.46 -0.87 -0.16 0.00 1.31 0.00 0.00 55.95 56.70 1i7p s SER 164 Cb 0.27 -0.46 -0.08 0.00 0.21 0.00 0.00 66.02 65.96 1i7p s SER 164 CO 0.28 0.05 0.90 0.20 0.41 0.00 0.00 173.24 175.08 1i7p s ASN 165 N -3.30 6.66 0.51 2.44 0.01 -1.26 -4.79 114.94 115.21 1i7p s ASN 165 Ca 0.28 1.45 -0.20 0.00 -0.71 0.00 0.00 52.86 53.68 1i7p s ASN 165 Cb -0.06 -2.45 -0.07 0.00 0.41 0.00 0.00 41.25 39.07 1i7p s ASN 165 CO 0.15 -0.47 1.09 -2.16 -1.51 0.00 0.00 177.10 174.20 1i7p s PRO 166 N -3.77 3.61 -0.16 -0.60 0.04 -1.26 -4.63 135.00 128.22 1i7p s PRO 166 Ca 0.57 1.50 -0.04 0.00 0.04 0.00 0.00 61.00 63.07 1i7p s PRO 166 Cb -0.10 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 1i7p s PRO 166 CO 0.27 -0.62 -0.02 0.08 0.04 0.00 0.00 177.00 176.76 1i7p s VAL 167 N -1.85 4.06 0.05 -0.36 1.01 -0.43 -4.84 120.40 118.04 1i7p s VAL 167 Ca 0.69 -0.30 -0.10 0.00 0.00 0.00 0.00 61.98 62.28 1i7p s VAL 167 Cb -0.21 -2.79 -0.06 0.00 0.00 0.00 0.00 36.38 33.33 1i7p s VAL 167 CO 0.24 0.48 0.37 -0.69 0.00 0.00 0.00 175.10 175.50 1i7p s VAL 168 N 0.40 5.14 0.08 2.92 1.01 -1.26 -1.56 120.40 127.12 1i7p s VAL 168 Ca -0.03 0.42 -0.08 0.00 0.00 0.00 0.00 61.98 62.30 1i7p s VAL 168 Cb -0.14 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 1i7p s VAL 168 CO 0.02 0.33 0.17 0.00 0.00 0.00 0.00 175.10 175.62 1i7p s ARG 169 N -1.80 0.80 -0.06 2.72 1.70 -0.50 -4.99 118.95 116.82 1i7p s ARG 169 Ca 0.31 -0.95 0.04 0.00 -0.47 0.00 0.00 55.73 54.66 1i7p s ARG 169 Cb -0.14 0.32 0.00 0.00 -0.57 0.00 0.00 34.95 34.56 1i7p s ARG 169 CO 0.17 -0.24 -0.18 0.99 -1.08 0.00 0.00 175.30 174.96 1i7p s THR 170 N -3.70 1.57 0.27 4.99 2.01 -1.26 -0.71 115.64 118.81 1i7p s THR 170 Ca 0.04 -0.77 0.06 0.00 0.31 0.00 0.00 61.69 61.33 1i7p s THR 170 Cb 0.04 -1.36 -0.06 0.00 0.01 0.00 0.00 72.50 71.14 1i7p s THR 170 CO -0.10 0.45 -0.04 0.68 -0.69 0.00 0.00 174.62 174.92 1i7p s VAL 171 N 0.22 1.45 -0.04 3.82 -7.23 -0.16 -4.82 120.40 113.63 1i7p s VAL 171 Ca -0.09 -2.09 0.12 0.00 -1.81 0.00 0.00 61.98 58.11 1i7p s VAL 171 Cb -0.14 -2.44 -0.18 0.00 0.56 0.00 0.00 36.38 34.17 1i7p s VAL 171 CO 0.04 -0.29 0.21 0.29 -0.31 0.00 0.00 175.10 175.05 1i7p n LYS 172 N -0.55 0.83 -4.41 4.82 5.02 0.43 -4.57 118.16 119.74 1i7p n LYS 172 Ca -0.05 -0.09 -0.21 0.00 -2.02 0.00 0.00 58.31 55.95 1i7p n LYS 172 Cb 0.64 -1.30 -0.15 0.00 -0.02 0.00 0.00 35.03 34.19 1i7p n LYS 172 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1i7p s SER 173 N -3.70 1.26 -0.24 4.39 0.01 -0.69 -2.33 113.70 112.39 1i7p s SER 173 Ca -0.05 -0.20 0.02 0.00 1.31 0.00 0.00 55.95 57.04 1i7p s SER 173 Cb 0.07 -0.34 0.05 0.00 0.21 0.00 0.00 66.02 66.01 1i7p s SER 173 CO 0.51 0.07 -0.13 -0.69 0.41 0.00 0.00 173.24 173.41 1i7p s VAL 174 N 0.19 2.15 0.30 3.43 1.01 -0.40 -2.22 120.40 124.87 1i7p s VAL 174 Ca -0.03 -1.48 -0.20 0.00 0.00 0.00 0.00 61.98 60.27 1i7p s VAL 174 Cb -0.09 -2.19 -0.09 0.00 0.00 0.00 0.00 36.38 34.01 1i7p s VAL 174 CO 0.01 0.10 0.82 -0.83 0.00 0.00 0.00 175.10 175.19 1i7p s GLY 175 N 1.15 2.56 -0.04 4.51 0.00 0.40 -1.07 107.32 114.82 1i7p s GLY 175 Ca -0.06 0.26 -0.02 0.00 0.00 0.00 0.00 44.72 44.91 1i7p s GLY 175 CO -0.07 0.59 0.08 1.06 0.00 0.00 0.00 173.10 174.76 1i7p s MET 176 N -2.42 -0.03 -0.21 2.90 -1.94 0.11 -0.60 119.30 117.11 1i7p s MET 176 Ca 0.50 0.35 0.01 0.00 -1.71 0.00 0.00 55.69 54.85 1i7p s MET 176 Cb -0.14 -0.35 0.03 0.00 2.01 0.00 0.00 34.83 36.38 1i7p s MET 176 CO 0.19 -0.26 -0.15 0.42 -0.01 0.00 0.00 175.02 175.21 1i7p s ILE 177 N 1.74 2.20 0.05 2.53 -1.09 -0.10 -0.92 121.20 125.61 1i7p s ILE 177 Ca -0.01 -1.17 0.09 0.00 -2.23 0.00 0.00 60.65 57.32 1i7p s ILE 177 Cb -0.12 -2.07 -0.03 0.00 -1.58 0.00 0.00 42.46 38.66 1i7p s ILE 177 CO -0.04 0.31 -0.24 0.00 -1.23 0.00 0.00 174.94 173.74 1i7p s ALA 178 N 1.23 2.07 -0.10 9.38 0.00 -0.85 -1.91 121.76 131.58 1i7p s ALA 178 Ca -0.00 -1.20 0.01 0.00 0.00 0.00 0.00 51.96 50.77 1i7p s ALA 178 Cb -0.16 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.56 1i7p s ALA 178 CO -0.09 0.48 -0.12 0.20 0.00 0.00 0.00 175.76 176.23 1i7p s GLY 179 N -1.26 0.91 0.00 0.00 0.00 -0.69 -0.59 107.32 105.70 1i7p s GLY 179 Ca 0.10 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.22 1i7p s GLY 179 CO 0.02 0.42 0.00 0.61 0.00 0.00 0.00 173.10 174.15 1i7p n GLY 180 N 4.40 3.55 0.00 0.20 0.00 -0.92 -1.69 105.19 110.73 1i7p n GLY 180 Ca -0.18 -0.05 0.05 0.00 0.00 0.00 0.00 46.02 45.85 1i7p n GLY 180 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1i7p n THR 181 N 0.00 0.68 0.84 2.61 -2.24 -1.26 -2.65 114.28 112.26 1i7p n THR 181 Ca 0.00 0.17 0.07 0.00 -2.27 0.00 0.00 64.05 62.02 1i7p n THR 181 Cb 0.00 -0.99 0.41 0.00 -2.10 0.00 0.00 70.33 67.65 1i7p n THR 181 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1i7p n GLY 182 N -0.35 -0.53 0.15 3.38 0.00 -0.68 -2.67 105.19 104.49 1i7p n GLY 182 Ca 0.05 -0.08 -0.00 0.00 0.00 0.00 0.00 46.02 45.99 1i7p n GLY 182 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1i7p h ILE 183 N 0.00 1.39 -0.66 -0.61 6.09 -1.73 -3.31 117.51 118.69 1i7p h ILE 183 Ca 0.00 -1.87 -0.02 0.00 -1.37 0.00 0.00 64.86 61.60 1i7p h ILE 183 Cb 0.03 2.00 -0.03 0.00 0.47 0.00 0.00 36.82 39.29 1i7p h ILE 183 CO 0.00 0.54 0.34 0.71 -3.07 0.00 0.00 178.15 176.66 1i7p h THR 184 N 0.01 1.21 0.00 2.19 1.35 -1.81 -0.47 112.91 115.39 1i7p h THR 184 Ca -0.00 -0.55 -0.06 0.00 -0.55 0.00 0.00 66.41 65.24 1i7p h THR 184 Cb 0.97 0.34 -0.01 0.00 -1.73 0.00 0.00 68.15 67.72 1i7p h THR 184 CO 0.07 0.24 -0.30 -0.65 -0.25 0.00 0.00 175.52 174.63 1i7p h PRO 185 N 0.92 0.00 0.01 4.72 0.11 -1.83 -2.14 132.00 133.79 1i7p h PRO 185 Ca 0.23 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 66.16 1i7p h PRO 185 Cb 0.06 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.19 1i7p h PRO 185 CO -0.03 0.30 -0.73 0.52 -0.21 0.00 0.00 178.00 177.84 1i7p h MET 186 N 0.00 0.48 -0.53 1.05 2.86 -1.45 -3.15 114.93 114.20 1i7p h MET 186 Ca -0.00 -0.53 -0.01 0.00 -2.06 0.00 0.00 59.70 57.10 1i7p h MET 186 Cb 0.56 0.15 -0.03 0.00 0.06 0.00 0.00 31.60 32.35 1i7p h MET 186 CO 0.04 1.17 0.27 1.25 1.06 0.00 0.00 176.91 180.70 1i7p h LEU 187 N 0.01 0.65 -0.65 1.22 5.85 -1.00 0.41 115.31 121.80 1i7p h LEU 187 Ca -0.09 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 1i7p h LEU 187 Cb 1.43 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 1i7p h LEU 187 CO 0.14 0.54 0.20 -0.61 -0.34 0.00 0.00 178.44 178.38 1i7p h GLN 188 N 0.74 1.02 -0.17 1.25 4.15 -1.42 -1.60 115.11 119.06 1i7p h GLN 188 Ca 0.19 -0.22 -0.15 0.00 0.77 0.00 0.00 58.65 59.24 1i7p h GLN 188 Cb 0.05 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.60 1i7p h GLN 188 CO -0.03 0.89 -0.47 0.28 -1.93 0.00 0.00 178.83 177.57 1i7p h VAL 189 N 0.95 1.33 -0.19 2.39 2.07 -1.35 -2.68 116.25 118.77 1i7p h VAL 189 Ca 0.21 -1.72 0.04 0.00 0.82 0.00 0.00 66.70 66.05 1i7p h VAL 189 Cb 0.30 1.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.99 1i7p h VAL 189 CO -0.01 0.53 -0.09 0.40 0.02 0.00 0.00 177.57 178.42 1i7p h ILE 190 N 0.28 0.71 -0.60 4.57 1.08 -0.80 -1.52 117.51 121.23 1i7p h ILE 190 Ca -0.01 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.42 1i7p h ILE 190 Cb 1.09 0.71 -0.03 0.00 -3.07 0.00 0.00 36.82 35.51 1i7p h ILE 190 CO 0.10 0.00 0.22 0.03 -0.69 0.00 0.00 178.15 177.82 1i7p h ARG 191 N -0.07 0.89 -0.64 2.37 3.08 -1.33 -1.20 114.38 117.47 1i7p h ARG 191 Ca 0.10 -0.15 -0.05 0.00 0.07 0.00 0.00 59.98 59.95 1i7p h ARG 191 Cb 0.23 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 1i7p h ARG 191 CO -0.23 0.74 0.19 0.00 -1.07 0.00 0.00 179.97 179.59 1i7p h ALA 192 N 1.38 0.84 0.38 0.04 0.00 -1.09 -0.36 119.26 120.43 1i7p h ALA 192 Ca 0.20 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1i7p h ALA 192 Cb 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1i7p h ALA 192 CO -0.02 0.52 -0.18 0.28 0.00 0.00 0.00 179.25 179.85 1i7p h VAL 193 N 0.92 0.61 -0.20 0.00 2.07 -0.97 -3.26 116.25 115.42 1i7p h VAL 193 Ca 0.20 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1i7p h VAL 193 Cb 0.31 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1i7p h VAL 193 CO -0.00 0.08 0.01 -0.07 0.02 0.00 0.00 177.57 177.61 1i7p h LEU 194 N -0.75 0.26 -2.20 2.57 3.38 -1.14 -2.34 115.31 115.09 1i7p h LEU 194 Ca -0.05 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1i7p h LEU 194 Cb 0.51 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1i7p h LEU 194 CO 0.08 0.30 -0.05 0.11 0.09 0.00 0.00 178.44 178.98 1i7p h LYS 195 N 0.29 0.00 -4.75 1.13 1.57 -1.10 -3.38 116.57 110.32 1i7p h LYS 195 Ca 0.07 0.00 -0.70 0.00 -1.87 0.00 0.00 60.65 58.15 1i7p h LYS 195 Cb 0.17 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.29 1i7p h LYS 195 CO 0.00 0.05 -0.05 0.34 -0.57 0.00 0.00 179.45 179.22 1i7p s ASP 196 N -6.35 6.20 0.57 0.86 2.15 -0.88 -4.93 116.67 114.29 1i7p s ASP 196 Ca -0.04 -1.08 0.27 0.00 0.43 0.00 0.00 52.55 52.13 1i7p s ASP 196 Cb 0.15 -2.26 1.53 0.00 -0.30 0.00 0.00 42.92 42.04 1i7p s ASP 196 CO 0.59 -0.85 2.03 1.55 -0.17 0.00 0.00 175.17 178.32 1i7p h PRO 197 N 8.95 0.00 -0.44 4.34 0.13 -1.83 -1.02 132.00 142.12 1i7p h PRO 197 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1i7p h PRO 197 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1i7p h PRO 197 CO 0.95 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.81 1i7p n ASN 198 N -3.96 2.66 -4.58 1.44 3.02 -1.26 -4.82 115.26 107.76 1i7p n ASN 198 Ca 0.05 -1.95 -0.41 0.00 -0.03 0.00 0.00 54.58 52.24 1i7p n ASN 198 Cb 0.46 -0.29 -0.07 0.00 -0.61 0.00 0.00 39.78 39.26 1i7p n ASN 198 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1i7p s ASP 199 N -1.15 6.39 0.00 6.41 -1.08 -0.39 -4.93 116.67 121.92 1i7p s ASP 199 Ca 0.34 0.21 0.26 0.00 -0.52 0.00 0.00 52.55 52.85 1i7p s ASP 199 Cb 0.18 -2.29 0.85 0.00 -1.46 0.00 0.00 42.92 40.20 1i7p s ASP 199 CO 0.25 -0.44 1.63 1.41 0.52 0.00 0.00 175.17 178.53 1i7p n HIS 200 N 5.75 0.07 -1.78 -5.34 8.25 -1.26 -4.93 115.22 115.97 1i7p n HIS 200 Ca -0.04 -0.03 -0.40 0.00 -0.26 0.00 0.00 57.72 56.99 1i7p n HIS 200 Cb 0.49 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.61 1i7p n HIS 200 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1i7p s THR 201 N -1.93 2.02 -0.17 1.59 2.01 -1.26 -5.00 115.64 112.89 1i7p s THR 201 Ca 0.36 0.02 -0.03 0.00 0.31 0.00 0.00 61.69 62.34 1i7p s THR 201 Cb 0.20 -3.01 -0.02 0.00 0.01 0.00 0.00 72.50 69.68 1i7p s THR 201 CO 0.31 0.00 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.50 1i7p s VAL 202 N -1.16 3.57 -0.16 3.82 1.01 -0.99 -4.83 120.40 121.66 1i7p s VAL 202 Ca 0.58 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 62.02 1i7p s VAL 202 Cb -0.45 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 1i7p s VAL 202 CO 0.60 0.48 0.10 0.00 0.00 0.00 0.00 175.10 176.27 1i7p s TYR 204 N -0.21 2.93 -0.14 0.00 1.51 -0.23 -0.73 117.35 120.48 1i7p s TYR 204 Ca 0.09 -1.80 -0.02 0.00 -1.01 0.00 0.00 57.07 54.33 1i7p s TYR 204 Cb -0.12 -1.94 -0.02 0.00 -0.11 0.00 0.00 41.96 39.77 1i7p s TYR 204 CO 0.01 -0.81 -0.07 -1.17 -1.11 0.00 0.00 175.55 172.39 1i7p s LEU 205 N 1.25 3.05 -0.26 -1.29 2.96 0.23 0.10 118.68 124.71 1i7p s LEU 205 Ca 0.01 -0.19 0.03 0.00 -0.22 0.00 0.00 54.13 53.76 1i7p s LEU 205 Cb -0.15 -1.71 0.06 0.00 0.50 0.00 0.00 46.19 44.89 1i7p s LEU 205 CO -0.10 0.19 -0.10 -0.22 -1.32 0.00 0.00 176.35 174.80 1i7p s LEU 206 N 0.23 3.47 -0.28 -0.68 2.96 -0.09 -1.46 118.68 122.83 1i7p s LEU 206 Ca -0.05 -1.43 -0.06 0.00 -0.22 0.00 0.00 54.13 52.37 1i7p s LEU 206 Cb -0.14 -1.53 0.01 0.00 0.50 0.00 0.00 46.19 45.03 1i7p s LEU 206 CO 0.04 -0.21 0.05 0.12 -1.32 0.00 0.00 176.35 175.03 1i7p s PHE 207 N 1.11 3.12 -0.08 5.38 5.36 -0.37 -2.01 117.98 130.49 1i7p s PHE 207 Ca -0.07 -1.02 -0.02 0.00 -0.96 0.00 0.00 56.93 54.86 1i7p s PHE 207 Cb -0.20 -2.21 -0.03 0.00 -0.34 0.00 0.00 43.02 40.24 1i7p s PHE 207 CO -0.05 -0.58 0.00 0.00 -1.46 0.00 0.00 175.22 173.13 1i7p s ALA 208 N 1.48 3.28 0.18 11.12 0.00 0.24 -1.82 121.76 136.24 1i7p s ALA 208 Ca 0.03 -0.82 -0.15 0.00 0.00 0.00 0.00 51.96 51.02 1i7p s ALA 208 Cb -0.17 -1.47 0.02 0.00 0.00 0.00 0.00 23.12 21.50 1i7p s ALA 208 CO 0.01 0.59 0.43 -0.80 0.00 0.00 0.00 175.76 176.00 1i7p s ASN 209 N -0.94 -0.16 0.27 0.00 0.01 -0.77 -2.17 114.94 111.18 1i7p s ASN 209 Ca 0.14 -0.59 0.01 0.00 -0.71 0.00 0.00 52.86 51.70 1i7p s ASN 209 Cb -0.11 0.52 0.38 0.00 0.41 0.00 0.00 41.25 42.44 1i7p s ASN 209 CO 0.03 -0.98 1.73 1.56 -1.51 0.00 0.00 177.10 177.93 1i7p h GLN 210 N 2.33 0.60 -3.06 -0.60 4.20 -1.90 -1.55 115.11 115.12 1i7p h GLN 210 Ca -0.30 -0.20 0.04 0.00 0.06 0.00 0.00 58.65 58.25 1i7p h GLN 210 Cb 1.25 -0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.91 1i7p h GLN 210 CO 0.42 0.74 0.19 -1.54 -0.67 0.00 0.00 178.83 177.97 1i7p s SER 211 N -6.76 -0.30 0.40 1.46 1.04 -1.26 -1.34 113.70 106.94 1i7p s SER 211 Ca -0.08 -0.52 0.08 0.00 0.48 0.00 0.00 55.95 55.91 1i7p s SER 211 Cb 0.14 0.69 0.85 0.00 0.10 0.00 0.00 66.02 67.80 1i7p s SER 211 CO 0.80 -1.25 2.02 -0.08 0.98 0.00 0.00 173.24 175.70 1i7p h GLU 212 N 2.03 0.58 -0.03 4.02 4.81 -1.91 -1.31 114.58 122.78 1i7p h GLU 212 Ca -0.23 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.96 1i7p h GLU 212 Cb 1.26 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.51 1i7p h GLU 212 CO 0.27 0.39 -0.05 -0.22 -0.73 0.00 0.00 179.01 178.67 1i7p h LYS 213 N 0.60 0.04 -0.26 1.92 3.64 -1.96 -2.58 116.57 117.96 1i7p h LYS 213 Ca 0.22 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1i7p h LYS 213 Cb 0.13 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1i7p h LYS 213 CO -0.06 0.09 0.00 -0.25 -2.27 0.00 0.00 179.45 176.96 1i7p n ASP 214 N -4.46 1.33 -4.55 4.20 10.43 -0.49 -4.80 116.55 118.21 1i7p n ASP 214 Ca -0.02 -2.01 -0.41 0.00 2.57 0.00 0.00 54.79 54.92 1i7p n ASP 214 Cb 0.14 -0.17 -0.03 0.00 1.84 0.00 0.00 41.12 42.90 1i7p n ASP 214 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1i7p s ILE 215 N -1.68 3.72 0.18 0.53 -1.09 -0.98 -4.88 121.20 117.01 1i7p s ILE 215 Ca 0.16 0.43 -0.30 0.00 -2.23 0.00 0.00 60.65 58.71 1i7p s ILE 215 Cb 0.09 -4.85 -0.08 0.00 -1.58 0.00 0.00 42.46 36.04 1i7p s ILE 215 CO 0.11 -1.77 1.09 -0.22 -1.23 0.00 0.00 174.94 172.92 1i7p s LEU 216 N 5.87 4.50 -1.51 2.97 2.96 -1.26 -3.86 118.68 128.35 1i7p s LEU 216 Ca 0.37 2.08 -0.04 0.00 -0.22 0.00 0.00 54.13 56.33 1i7p s LEU 216 Cb -0.08 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.01 1i7p s LEU 216 CO 0.16 -0.20 0.46 0.18 -1.32 0.00 0.00 176.35 175.63 1i7p n LEU 217 N 2.32 -2.49 -0.14 -0.68 4.77 -1.26 -4.93 117.00 114.59 1i7p n LEU 217 Ca 0.02 -0.22 -0.09 0.00 -0.03 0.00 0.00 56.01 55.69 1i7p n LEU 217 Cb 0.46 -2.83 -0.00 0.00 -2.33 0.00 0.00 43.42 38.72 1i7p n LEU 217 CO 0.54 0.14 0.94 -0.09 -1.33 0.00 0.00 177.39 177.58 1i7p h ARG 218 N -1.06 0.60 -0.83 3.23 2.43 -2.00 -2.14 114.38 114.61 1i7p h ARG 218 Ca -0.49 -0.10 0.04 0.00 -0.81 0.00 0.00 59.98 58.61 1i7p h ARG 218 Cb 1.35 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.74 1i7p h ARG 218 CO 0.54 0.55 0.53 -1.35 -1.51 0.00 0.00 179.97 178.73 1i7p h PRO 219 N 0.52 0.99 -0.50 0.20 0.11 -1.92 -0.46 132.00 130.93 1i7p h PRO 219 Ca 0.14 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.15 1i7p h PRO 219 Cb 0.16 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.03 1i7p h PRO 219 CO -0.01 0.66 0.17 0.93 -0.21 0.00 0.00 178.00 179.53 1i7p h GLU 220 N 1.02 0.77 -0.54 1.05 3.07 -1.92 -1.69 114.58 116.34 1i7p h GLU 220 Ca 0.34 -0.16 -0.07 0.00 -0.50 0.00 0.00 59.36 58.97 1i7p h GLU 220 Cb 0.04 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.81 1i7p h GLU 220 CO -0.12 0.71 0.07 -0.07 -1.40 0.00 0.00 179.01 178.20 1i7p h LEU 221 N 0.68 0.88 -0.82 1.33 3.38 -1.04 -2.78 115.31 116.94 1i7p h LEU 221 Ca 0.16 -0.27 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1i7p h LEU 221 Cb 0.25 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1i7p h LEU 221 CO -0.01 0.92 -0.32 -0.33 0.09 0.00 0.00 178.44 178.79 1i7p h GLU 222 N 0.80 0.00 -0.39 1.13 5.08 -0.96 -1.88 114.58 118.37 1i7p h GLU 222 Ca 0.16 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.37 1i7p h GLU 222 Cb 0.43 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1i7p h GLU 222 CO 0.01 0.32 -0.36 1.49 -1.00 0.00 0.00 179.01 179.47 1i7p h GLU 223 N 0.00 0.91 -0.48 2.33 4.57 -1.20 -1.94 114.58 118.76 1i7p h GLU 223 Ca -0.00 -0.46 -0.09 0.00 -1.18 0.00 0.00 59.36 57.62 1i7p h GLU 223 Cb 0.92 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.50 1i7p h GLU 223 CO 0.04 1.11 -0.08 -0.07 -1.18 0.00 0.00 179.01 178.84 1i7p h LEU 224 N 0.75 0.85 -0.82 1.64 3.38 -1.19 -2.08 115.31 117.84 1i7p h LEU 224 Ca 0.07 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 1i7p h LEU 224 Cb 0.95 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 1i7p h LEU 224 CO 0.09 0.96 0.15 -0.09 0.09 0.00 0.00 178.44 179.64 1i7p h ARG 225 N 0.78 1.04 -0.05 1.13 2.43 -1.23 0.29 114.38 118.78 1i7p h ARG 225 Ca 0.13 -0.24 -0.14 0.00 -0.81 0.00 0.00 59.98 58.92 1i7p h ARG 225 Cb 0.58 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1i7p h ARG 225 CO 0.04 0.92 -0.62 -0.97 -1.51 0.00 0.00 179.97 177.83 1i7p h ASN 226 N 0.99 0.19 0.89 -3.80 -1.24 -1.10 -2.92 115.58 108.58 1i7p h ASN 226 Ca 0.21 -0.11 -0.16 0.00 0.71 0.00 0.00 56.30 56.94 1i7p h ASN 226 Cb 0.36 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 39.33 1i7p h ASN 226 CO 0.00 0.76 -1.20 -0.33 -1.29 0.00 0.00 177.43 175.37 1i7p h GLU 227 N 0.12 0.00 -1.06 6.67 5.08 -1.23 -3.41 114.58 120.76 1i7p h GLU 227 Ca -0.01 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 57.95 1i7p h GLU 227 Cb 1.12 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.96 1i7p h GLU 227 CO 0.09 0.39 -1.09 0.72 -1.00 0.00 0.00 179.01 178.11 1i7p n HIS 228 N -3.00 1.64 -0.33 4.33 8.25 0.08 -4.94 115.22 121.25 1i7p n HIS 228 Ca -0.07 -2.80 0.11 0.00 -0.26 0.00 0.00 57.72 54.71 1i7p n HIS 228 Cb 0.83 -0.31 0.29 0.00 1.12 0.00 0.00 29.99 31.92 1i7p n HIS 228 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1i7p h SER 229 N 2.87 0.64 0.16 0.41 0.87 -1.71 -1.80 113.55 114.99 1i7p h SER 229 Ca -0.01 0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1i7p h SER 229 Cb 1.14 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.10 1i7p h SER 229 CO 0.55 0.22 -0.02 0.77 -0.53 0.00 0.00 176.83 177.83 1i7p h SER 230 N 0.67 0.00 0.00 6.23 4.64 -1.92 -3.01 113.55 120.16 1i7p h SER 230 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 1i7p h SER 230 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1i7p h SER 230 CO -0.39 0.02 0.00 0.54 -0.87 0.00 0.00 176.83 176.12 1i7p n ARG 231 N -3.32 2.69 -3.48 4.77 1.74 -0.72 -4.91 116.66 113.43 1i7p n ARG 231 Ca -0.02 -1.41 -0.12 0.00 -0.77 0.00 0.00 57.85 55.53 1i7p n ARG 231 Cb 0.12 -0.98 -0.10 0.00 -1.02 0.00 0.00 32.46 30.48 1i7p n ARG 231 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1i7p s PHE 232 N -0.91 -0.62 -0.17 -1.55 5.36 -0.91 -1.06 117.98 118.11 1i7p s PHE 232 Ca 0.00 0.81 -0.06 0.00 -0.96 0.00 0.00 56.93 56.72 1i7p s PHE 232 Cb 0.00 -0.04 -0.04 0.00 -0.34 0.00 0.00 43.02 42.60 1i7p s PHE 232 CO 0.00 -0.59 0.03 0.15 -1.46 0.00 0.00 175.22 173.35 1i7p s LYS 233 N 2.48 3.86 -0.07 10.12 -0.14 0.09 -4.55 119.74 131.53 1i7p s LYS 233 Ca 0.07 -0.39 0.05 0.00 -1.36 0.00 0.00 55.97 54.34 1i7p s LYS 233 Cb -0.14 -3.12 -0.00 0.00 -1.68 0.00 0.00 37.83 32.89 1i7p s LYS 233 CO -0.13 0.29 -0.21 -1.17 -0.76 0.00 0.00 175.35 173.36 1i7p s LEU 234 N 0.30 1.99 -0.02 3.17 2.96 -1.26 -0.60 118.68 125.23 1i7p s LEU 234 Ca 0.01 -0.47 -0.08 0.00 -0.22 0.00 0.00 54.13 53.38 1i7p s LEU 234 Cb -0.13 -1.23 0.01 0.00 0.50 0.00 0.00 46.19 45.34 1i7p s LEU 234 CO 0.01 0.17 0.17 0.86 -1.32 0.00 0.00 176.35 176.24 1i7p s TRP 235 N 0.15 -0.04 0.19 5.38 -0.11 -0.54 -5.00 118.94 118.98 1i7p s TRP 235 Ca -0.10 0.06 0.10 0.00 1.22 0.00 0.00 56.10 57.38 1i7p s TRP 235 Cb -0.15 -0.00 -0.04 0.00 -1.50 0.00 0.00 33.47 31.77 1i7p s TRP 235 CO 0.05 -0.26 -0.20 0.71 -4.62 0.00 0.00 176.95 172.63 1i7p s TYR 236 N -1.05 2.04 -0.04 5.86 2.02 -1.26 -1.24 117.35 123.68 1i7p s TYR 236 Ca -0.11 -0.42 -0.06 0.00 -0.37 0.00 0.00 57.07 56.11 1i7p s TYR 236 Cb -0.06 -0.99 0.01 0.00 -0.40 0.00 0.00 41.96 40.52 1i7p s TYR 236 CO 0.02 0.45 0.15 -0.08 -1.57 0.00 0.00 175.55 174.51 1i7p s THR 237 N -2.06 0.02 0.08 -0.71 -1.32 -0.76 -1.90 115.64 108.99 1i7p s THR 237 Ca 0.20 -0.17 0.04 0.00 -1.21 0.00 0.00 61.69 60.55 1i7p s THR 237 Cb -0.06 -0.27 -0.03 0.00 -1.51 0.00 0.00 72.50 70.63 1i7p s THR 237 CO 0.09 -0.09 -0.11 0.68 -2.21 0.00 0.00 174.62 172.98 1i7p s VAL 238 N -0.26 0.92 -0.04 5.08 -7.23 -1.06 -1.85 120.40 115.96 1i7p s VAL 238 Ca -0.03 -1.43 -0.24 0.00 -1.81 0.00 0.00 61.98 58.47 1i7p s VAL 238 Cb -0.03 -1.13 -0.23 0.00 0.56 0.00 0.00 36.38 35.56 1i7p s VAL 238 CO 0.00 -0.42 1.06 0.44 -0.31 0.00 0.00 175.10 175.88 1i7p h ASP 239 N 3.97 0.27 -3.51 4.85 3.32 -1.19 0.10 116.42 124.23 1i7p h ASP 239 Ca -0.38 -0.75 -0.72 0.00 0.02 0.00 0.00 57.03 55.20 1i7p h ASP 239 Cb 1.19 -0.08 -0.23 0.00 0.22 0.00 0.00 39.33 40.44 1i7p h ASP 239 CO 0.47 0.98 -0.45 -0.54 -1.72 0.00 0.00 179.24 177.97 1i7p s LYS 240 N -3.24 2.90 -0.01 3.56 1.02 -0.45 -4.47 119.74 119.05 1i7p s LYS 240 Ca -0.15 -1.09 -0.15 0.00 0.02 0.00 0.00 55.97 54.59 1i7p s LYS 240 Cb 0.01 -3.90 -0.06 0.00 -0.52 0.00 0.00 37.83 33.36 1i7p s LYS 240 CO 0.75 -0.77 0.41 0.00 -0.92 0.00 0.00 175.35 174.82 1i7p s ALA 241 N 1.62 3.68 0.70 5.17 0.00 -1.26 -4.22 121.76 127.45 1i7p s ALA 241 Ca 0.04 -0.22 -0.11 0.00 0.00 0.00 0.00 51.96 51.66 1i7p s ALA 241 Cb -0.20 -2.40 0.01 0.00 0.00 0.00 0.00 23.12 20.53 1i7p s ALA 241 CO 0.08 0.44 1.07 -1.25 0.00 0.00 0.00 175.76 176.11 1i7p s PRO 242 N -0.94 2.93 0.31 0.00 0.04 -1.26 -4.94 135.00 131.14 1i7p s PRO 242 Ca 0.24 0.67 0.01 0.00 0.04 0.00 0.00 61.00 61.96 1i7p s PRO 242 Cb -0.16 -2.01 0.56 0.00 0.04 0.00 0.00 34.50 32.92 1i7p s PRO 242 CO 0.13 -1.03 1.93 -0.44 0.04 0.00 0.00 177.00 177.63 1i7p h ASP 243 N -0.66 0.87 -3.34 6.66 3.32 -2.07 -3.30 116.42 117.90 1i7p h ASP 243 Ca -0.45 0.00 -0.73 0.00 0.02 0.00 0.00 57.03 55.87 1i7p h ASP 243 Cb 1.23 -0.19 -0.26 0.00 0.22 0.00 0.00 39.33 40.33 1i7p h ASP 243 CO 0.61 0.57 -0.39 0.00 -1.72 0.00 0.00 179.24 178.31 1i7p s ALA 244 N -5.87 3.42 -0.11 3.45 0.00 -1.26 -5.02 121.76 116.38 1i7p s ALA 244 Ca -0.11 -2.27 -0.05 0.00 0.00 0.00 0.00 51.96 49.53 1i7p s ALA 244 Cb 0.19 -2.87 0.05 0.00 0.00 0.00 0.00 23.12 20.50 1i7p s ALA 244 CO 0.79 -1.77 0.24 -0.46 0.00 0.00 0.00 175.76 174.56 1i7p s TRP 245 N 1.49 -0.34 -2.38 0.00 -0.11 -1.25 -5.04 118.94 111.31 1i7p s TRP 245 Ca 0.04 0.81 0.24 0.00 1.22 0.00 0.00 56.10 58.40 1i7p s TRP 245 Cb -0.25 0.01 0.15 0.00 -1.50 0.00 0.00 33.47 31.88 1i7p s TRP 245 CO 0.03 -0.26 1.21 -0.25 -4.62 0.00 0.00 176.95 173.05 1i7p n ASP 246 N 4.56 2.29 0.00 5.86 8.00 -1.26 -4.99 116.55 131.01 1i7p n ASP 246 Ca -0.20 -1.65 0.00 0.00 0.71 0.00 0.00 54.79 53.65 1i7p n ASP 246 Cb 0.52 0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.89 1i7p n ASP 246 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1i7p n TYR 247 N 0.43 0.00 -2.78 1.24 4.02 -1.26 -5.10 117.16 113.71 1i7p n TYR 247 Ca 0.11 0.00 -0.26 0.00 -0.01 0.00 0.00 57.90 57.74 1i7p n TYR 247 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.83 1i7p n TYR 247 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1i7p s SER 248 N -0.16 6.12 -0.03 7.72 0.01 -0.80 -5.02 113.70 121.54 1i7p s SER 248 Ca 0.00 0.73 0.04 0.00 1.31 0.00 0.00 55.95 58.04 1i7p s SER 248 Cb 0.00 -2.05 -0.01 0.00 0.21 0.00 0.00 66.02 64.18 1i7p s SER 248 CO 0.00 -0.61 -0.15 -1.58 0.41 0.00 0.00 173.24 171.31 1i7p s GLN 249 N -4.68 1.42 0.00 12.44 0.74 -1.26 -2.56 119.66 125.76 1i7p s GLN 249 Ca 0.47 -0.53 0.00 0.00 0.05 0.00 0.00 55.36 55.35 1i7p s GLN 249 Cb -0.10 -1.30 0.00 0.00 1.10 0.00 0.00 33.01 32.71 1i7p s GLN 249 CO 0.42 0.25 0.00 0.41 -0.55 0.00 0.00 175.29 175.83 1i7p n GLY 250 N 3.00 1.97 3.74 2.59 0.00 0.35 -4.88 105.19 111.96 1i7p n GLY 250 Ca -0.17 -2.13 -0.34 0.00 0.00 0.00 0.00 46.02 43.39 1i7p n GLY 250 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1i7p s PHE 251 N -1.85 2.23 0.23 1.61 0.08 -1.26 -4.44 117.98 114.59 1i7p s PHE 251 Ca 0.00 1.59 -0.32 0.00 0.12 0.00 0.00 56.93 58.32 1i7p s PHE 251 Cb 0.00 -3.36 -0.13 0.00 -0.57 0.00 0.00 43.02 38.95 1i7p s PHE 251 CO 0.00 -2.29 1.46 0.28 -0.10 0.00 0.00 175.22 174.57 1i7p n VAL 252 N -2.66 0.79 -4.13 -0.44 0.31 -1.26 -4.96 118.33 105.98 1i7p n VAL 252 Ca 0.12 -0.20 -0.08 0.00 -0.01 0.00 0.00 64.34 64.17 1i7p n VAL 252 Cb 0.51 -1.54 -0.03 0.00 -0.91 0.00 0.00 33.84 31.87 1i7p n VAL 252 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1i7p n ASN 253 N 2.39 -0.13 -0.10 4.52 0.23 -1.26 -4.71 115.26 116.20 1i7p n ASN 253 Ca 0.12 -1.91 -0.09 0.00 -0.53 0.00 0.00 54.58 52.17 1i7p n ASN 253 Cb 0.32 0.66 -0.02 0.00 -2.08 0.00 0.00 39.78 38.66 1i7p n ASN 253 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1i7p h GLU 254 N 0.00 0.46 -0.45 -3.83 4.81 -1.91 -2.35 114.58 111.32 1i7p h GLU 254 Ca -0.10 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1i7p h GLU 254 Cb 0.50 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1i7p h GLU 254 CO 0.15 0.40 0.28 1.49 -0.73 0.00 0.00 179.01 180.60 1i7p h GLU 255 N 0.40 0.60 -0.77 1.92 4.81 -1.98 -1.33 114.58 118.24 1i7p h GLU 255 Ca 0.11 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 1i7p h GLU 255 Cb 0.08 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 1i7p h GLU 255 CO -0.02 0.43 0.38 0.52 -0.73 0.00 0.00 179.01 179.59 1i7p h MET 256 N 0.59 1.10 -0.30 1.92 2.86 -1.94 0.04 114.93 119.21 1i7p h MET 256 Ca 0.16 -0.15 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1i7p h MET 256 Cb -0.02 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.42 1i7p h MET 256 CO -0.03 0.84 0.08 0.82 1.06 0.00 0.00 176.91 179.68 1i7p h ILE 257 N 1.09 1.21 -0.40 -1.22 1.08 -1.14 0.50 117.51 118.64 1i7p h ILE 257 Ca 0.27 -0.69 -0.09 0.00 -0.39 0.00 0.00 64.86 63.95 1i7p h ILE 257 Cb 0.10 1.10 -0.02 0.00 -3.07 0.00 0.00 36.82 34.93 1i7p h ILE 257 CO -0.04 0.23 -0.13 0.03 -0.69 0.00 0.00 178.15 177.56 1i7p h ARG 258 N 0.32 0.71 0.00 2.37 3.08 -0.85 -2.66 114.38 117.35 1i7p h ARG 258 Ca 0.09 -0.24 -0.05 0.00 0.07 0.00 0.00 59.98 59.86 1i7p h ARG 258 Cb 0.27 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 1i7p h ARG 258 CO -0.00 0.81 -0.91 -0.44 -1.07 0.00 0.00 179.97 178.36 1i7p h ASP 259 N 0.64 0.00 0.00 7.04 3.32 -0.84 -3.41 116.42 123.17 1i7p h ASP 259 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1i7p h ASP 259 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1i7p h ASP 259 CO 0.04 0.19 0.00 1.41 -1.72 0.00 0.00 179.24 179.16 1i7p n HIS 260 N -2.84 0.00 -4.31 4.55 8.25 0.15 -5.04 115.22 115.98 1i7p n HIS 260 Ca -0.02 -0.26 -0.20 0.00 -0.26 0.00 0.00 57.72 56.98 1i7p n HIS 260 Cb 0.64 -0.03 -0.11 0.00 1.12 0.00 0.00 29.99 31.61 1i7p n HIS 260 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1i7p s LEU 261 N -0.53 2.46 0.69 2.41 1.43 -1.00 -4.53 118.68 119.61 1i7p s LEU 261 Ca 0.00 -0.89 -0.14 0.00 -1.03 0.00 0.00 54.13 52.08 1i7p s LEU 261 Cb 0.00 -0.72 0.02 0.00 0.03 0.00 0.00 46.19 45.51 1i7p s LEU 261 CO 0.00 -0.09 1.11 -2.16 0.23 0.00 0.00 176.35 175.44 1i7p s PRO 262 N -2.96 2.63 0.64 1.29 0.04 -1.26 -4.79 135.00 130.59 1i7p s PRO 262 Ca 0.16 1.35 -0.16 0.00 0.04 0.00 0.00 61.00 62.38 1i7p s PRO 262 Cb -0.04 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 1i7p s PRO 262 CO 0.06 -1.38 1.14 -1.25 0.04 0.00 0.00 177.00 175.61 1i7p s PRO 263 N -4.29 2.79 0.52 0.56 0.04 -1.26 -4.97 135.00 128.39 1i7p s PRO 263 Ca 0.66 1.55 -0.23 0.00 0.04 0.00 0.00 61.00 63.02 1i7p s PRO 263 Cb -0.20 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.35 1i7p s PRO 263 CO 0.45 -1.29 1.40 -2.14 0.04 0.00 0.00 177.00 175.46 1i7p s PRO 264 N -3.82 3.28 0.00 0.56 0.02 -1.26 -4.75 135.00 129.02 1i7p s PRO 264 Ca 0.71 2.33 0.00 0.00 0.02 0.00 0.00 61.00 64.05 1i7p s PRO 264 Cb -0.24 -2.38 0.00 0.00 0.02 0.00 0.00 34.50 31.90 1i7p s PRO 264 CO 0.39 -1.11 0.00 0.41 -0.33 0.00 0.00 177.00 176.35 1i7p n GLY 265 N 0.69 2.34 0.30 0.52 0.00 -1.26 -4.96 105.19 102.80 1i7p n GLY 265 Ca 0.09 -0.84 0.13 0.00 0.00 0.00 0.00 46.02 45.40 1i7p n GLY 265 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1i7p h GLU 266 N 0.00 0.00 -0.03 1.61 4.81 -1.99 -1.08 114.58 117.90 1i7p h GLU 266 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1i7p h GLU 266 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1i7p h GLU 266 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 179.01 178.67 1i7p n GLU 267 N -4.18 1.16 -5.05 1.92 1.02 -1.26 -4.80 120.64 109.45 1i7p n GLU 267 Ca -0.01 -0.24 -0.29 0.00 -0.02 0.00 0.00 57.16 56.60 1i7p n GLU 267 Cb 0.18 -1.34 -0.15 0.00 -0.02 0.00 0.00 31.44 30.10 1i7p n GLU 267 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1i7p s THR 268 N -1.96 1.87 -0.03 2.62 2.01 -0.41 -0.42 115.64 119.32 1i7p s THR 268 Ca 0.32 -1.09 0.02 0.00 0.31 0.00 0.00 61.69 61.25 1i7p s THR 268 Cb 0.15 -1.57 0.01 0.00 0.01 0.00 0.00 72.50 71.10 1i7p s THR 268 CO 0.25 0.45 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.33 1i7p s LEU 269 N -0.75 1.71 -0.17 4.42 2.96 -0.94 -4.70 118.68 121.21 1i7p s LEU 269 Ca 0.09 -0.19 -0.05 0.00 -0.22 0.00 0.00 54.13 53.77 1i7p s LEU 269 Cb -0.09 -0.55 -0.03 0.00 0.50 0.00 0.00 46.19 46.02 1i7p s LEU 269 CO -0.00 0.05 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.44 1i7p s ILE 270 N 0.33 4.07 -0.07 6.68 -1.09 -0.58 -0.45 121.20 130.08 1i7p s ILE 270 Ca -0.05 -0.29 -0.01 0.00 -2.23 0.00 0.00 60.65 58.07 1i7p s ILE 270 Cb -0.10 -2.81 -0.03 0.00 -1.58 0.00 0.00 42.46 37.94 1i7p s ILE 270 CO 0.01 0.47 -0.02 -0.76 -1.23 0.00 0.00 174.94 173.40 1i7p s LEU 271 N 0.54 3.42 0.00 2.97 1.02 0.23 -0.69 118.68 126.18 1i7p s LEU 271 Ca -0.01 0.08 0.01 0.00 0.02 0.00 0.00 54.13 54.23 1i7p s LEU 271 Cb -0.14 -1.78 -0.01 0.00 0.02 0.00 0.00 46.19 44.28 1i7p s LEU 271 CO 0.02 0.37 -0.05 -0.04 0.02 0.00 0.00 176.35 176.67 1i7p s MET 272 N -0.89 0.37 -0.26 1.70 -1.94 0.21 -0.92 119.30 117.57 1i7p s MET 272 Ca 0.13 -0.26 -0.08 0.00 -1.71 0.00 0.00 55.69 53.78 1i7p s MET 272 Cb -0.11 -0.31 0.12 0.00 2.01 0.00 0.00 34.83 36.54 1i7p s MET 272 CO 0.02 0.08 0.55 0.00 -0.01 0.00 0.00 175.02 175.66 1i7p n GLY 274 N 5.42 0.17 3.66 0.00 0.00 -1.26 -1.70 105.19 111.49 1i7p n GLY 274 Ca -0.10 -0.96 -0.44 0.00 0.00 0.00 0.00 46.02 44.52 1i7p n GLY 274 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1i7p n PRO 275 N -0.73 1.90 -0.29 1.61 -0.02 -1.26 -4.76 135.00 131.45 1i7p n PRO 275 Ca 0.05 0.67 0.05 0.00 -2.02 0.00 0.00 63.50 62.25 1i7p n PRO 275 Cb 0.43 -2.26 0.14 0.00 -0.02 0.00 0.00 33.50 31.79 1i7p n PRO 275 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1i7p h PRO 276 N 3.33 0.02 -0.91 0.52 0.11 -2.01 -0.74 132.00 132.33 1i7p h PRO 276 Ca -0.44 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.71 1i7p h PRO 276 Cb 1.29 -0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.34 1i7p h PRO 276 CO 0.69 0.02 0.59 -1.35 -0.21 0.00 0.00 178.00 177.73 1i7p h PRO 277 N 0.02 1.08 -0.10 1.05 0.11 -1.99 0.10 132.00 132.27 1i7p h PRO 277 Ca 0.42 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.46 1i7p h PRO 277 Cb 0.70 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.57 1i7p h PRO 277 CO -0.82 0.71 0.03 1.98 -0.21 0.00 0.00 178.00 179.70 1i7p h MET 278 N 1.11 0.15 -0.39 1.05 1.85 -1.50 -1.09 114.93 116.11 1i7p h MET 278 Ca 0.38 -0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 59.41 1i7p h MET 278 Cb 0.06 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.06 1i7p h MET 278 CO -0.14 0.31 0.17 0.82 -0.40 0.00 0.00 176.91 177.67 1i7p h ILE 279 N -0.03 1.18 -0.30 1.77 2.04 -1.18 0.56 117.51 121.55 1i7p h ILE 279 Ca 0.03 -0.55 -0.08 0.00 1.00 0.00 0.00 64.86 65.26 1i7p h ILE 279 Cb 0.22 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1i7p h ILE 279 CO -0.00 0.20 -0.13 -0.61 0.00 0.00 0.00 178.15 177.62 1i7p h GLN 280 N 0.49 0.61 0.00 2.37 4.15 -0.96 -1.94 115.11 119.82 1i7p h GLN 280 Ca 0.13 -0.26 -0.20 0.00 0.77 0.00 0.00 58.65 59.09 1i7p h GLN 280 Cb 0.16 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.79 1i7p h GLN 280 CO -0.01 0.83 -2.15 1.19 -1.93 0.00 0.00 178.83 176.76 1i7p n PHE 281 N -4.42 0.00 -0.11 3.99 3.72 -0.42 -4.37 117.46 115.85 1i7p n PHE 281 Ca -0.03 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.22 1i7p n PHE 281 Cb 0.36 -0.74 -0.12 0.00 -0.94 0.00 0.00 39.48 38.04 1i7p n PHE 281 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1i7p n ALA 282 N -2.50 1.49 -0.03 4.37 0.00 0.10 -4.67 120.51 119.28 1i7p n ALA 282 Ca -0.19 -1.07 -0.01 0.00 0.00 0.00 0.00 53.44 52.17 1i7p n ALA 282 Cb 0.87 -0.07 -0.00 0.00 0.00 0.00 0.00 19.45 20.25 1i7p n ALA 282 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i7p h LEU 284 N -0.51 -0.63 -1.68 0.00 3.38 -1.56 -0.50 115.31 113.81 1i7p h LEU 284 Ca 0.00 0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1i7p h LEU 284 Cb 0.11 0.35 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1i7p h LEU 284 CO 0.00 -0.22 -0.19 1.55 0.09 0.00 0.00 178.44 179.68 1i7p h PRO 285 N -0.11 0.00 0.09 1.13 0.13 -1.81 -2.05 132.00 129.38 1i7p h PRO 285 Ca 0.19 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 65.05 1i7p h PRO 285 Cb 0.41 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 1i7p h PRO 285 CO -0.47 0.19 -1.34 -0.91 -0.23 0.00 0.00 178.00 175.24 1i7p h ASN 286 N 0.00 0.30 -0.71 1.44 2.35 -1.54 -2.67 115.58 114.74 1i7p h ASN 286 Ca -0.00 -0.36 -0.00 0.00 -0.55 0.00 0.00 56.30 55.38 1i7p h ASN 286 Cb 0.43 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.67 1i7p h ASN 286 CO 0.02 1.29 0.44 -0.07 -1.65 0.00 0.00 177.43 177.47 1i7p h LEU 287 N 0.05 0.85 -0.16 1.61 3.38 -0.91 -1.20 115.31 118.93 1i7p h LEU 287 Ca -0.16 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1i7p h LEU 287 Cb 1.95 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 1i7p h LEU 287 CO 0.16 0.65 0.11 -0.08 0.09 0.00 0.00 178.44 179.37 1i7p h GLU 288 N 0.97 0.22 -0.54 1.13 4.57 -1.40 -1.03 114.58 118.50 1i7p h GLU 288 Ca 0.26 -0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.44 1i7p h GLU 288 Cb -0.05 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.47 1i7p h GLU 288 CO -0.05 0.15 0.36 0.00 -1.18 0.00 0.00 179.01 178.29 1i7p h ARG 289 N 0.21 0.68 0.00 1.92 3.08 -1.12 -2.00 114.38 117.16 1i7p h ARG 289 Ca 0.06 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1i7p h ARG 289 Cb -0.02 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 29.88 1i7p h ARG 289 CO -0.01 0.45 -0.06 0.28 -1.07 0.00 0.00 179.97 179.56 1i7p h VAL 290 N 0.70 0.12 0.00 2.04 2.07 -0.78 -3.48 116.25 116.92 1i7p h VAL 290 Ca 0.21 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1i7p h VAL 290 Cb -0.03 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1i7p h VAL 290 CO -0.05 0.06 0.00 0.61 0.02 0.00 0.00 177.57 178.21 1i7p n GLY 291 N 0.86 1.19 3.61 2.17 0.00 -0.60 -4.84 105.19 107.58 1i7p n GLY 291 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1i7p n GLY 291 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1i7p s HIS 292 N -2.00 3.15 0.60 1.61 3.76 -0.49 -4.80 115.29 117.12 1i7p s HIS 292 Ca 0.00 0.83 -0.16 0.00 -0.15 0.00 0.00 55.06 55.58 1i7p s HIS 292 Cb 0.00 -3.44 -0.03 0.00 1.11 0.00 0.00 32.58 30.22 1i7p s HIS 292 CO 0.00 -0.69 1.07 -2.14 -0.85 0.00 0.00 174.74 172.13 1i7p s PRO 293 N 3.23 3.23 0.49 8.40 0.02 -1.26 -4.17 135.00 144.94 1i7p s PRO 293 Ca 0.36 1.28 0.23 0.00 0.02 0.00 0.00 61.00 62.89 1i7p s PRO 293 Cb -0.13 -2.02 1.27 0.00 0.02 0.00 0.00 34.50 33.64 1i7p s PRO 293 CO 0.15 -0.89 2.02 1.57 -0.33 0.00 0.00 177.00 179.52 1i7p h LYS 294 N 0.46 0.00 0.00 5.54 2.10 -1.96 -0.88 116.57 121.82 1i7p h LYS 294 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1i7p h LYS 294 Cb 1.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.56 1i7p h LYS 294 CO 0.57 0.16 0.00 -0.85 -2.00 0.00 0.00 179.45 177.33 1i7p n GLU 295 N -3.83 0.43 -0.53 0.07 0.00 -1.26 -2.46 120.64 113.06 1i7p n GLU 295 Ca -0.02 0.05 0.07 0.00 0.00 0.00 0.00 57.16 57.26 1i7p n GLU 295 Cb 0.26 -1.50 0.14 0.00 0.00 0.00 0.00 31.44 30.34 1i7p n GLU 295 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1i7p n ARG 296 N -1.13 1.15 -4.36 3.44 1.74 -0.34 -5.00 116.66 112.16 1i7p n ARG 296 Ca 0.11 -2.70 -0.19 0.00 -0.77 0.00 0.00 57.85 54.31 1i7p n ARG 296 Cb 0.10 -1.28 -0.15 0.00 -1.02 0.00 0.00 32.46 30.11 1i7p n ARG 296 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1i7p s PHE 298 N -0.06 0.81 -0.19 0.00 5.36 0.13 -4.96 117.98 119.07 1i7p s PHE 298 Ca 0.01 -0.20 -0.03 0.00 -0.96 0.00 0.00 56.93 55.75 1i7p s PHE 298 Cb -0.05 -0.60 -0.01 0.00 -0.34 0.00 0.00 43.02 42.02 1i7p s PHE 298 CO -0.00 -0.10 -0.06 0.99 -1.46 0.00 0.00 175.22 174.59 1i7p s THR 299 N 0.29 3.37 -2.00 0.12 2.01 -1.26 -0.62 115.64 117.55 1i7p s THR 299 Ca -0.04 -0.51 0.13 0.00 0.31 0.00 0.00 61.69 61.58 1i7p s THR 299 Cb -0.09 -2.50 0.37 0.00 0.01 0.00 0.00 72.50 70.30 1i7p s THR 299 CO 0.00 0.46 1.21 0.49 -0.69 0.00 0.00 174.62 176.09