#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u7p s ARG 3 N 0.00 3.71 0.17 -0.78 0.52 -1.26 -5.08 118.95 116.22 1u7p s ARG 3 Ca 0.00 -0.42 -0.08 0.00 -0.52 0.00 0.00 55.73 54.71 1u7p s ARG 3 Cb 0.00 -3.75 -0.06 0.00 0.52 0.00 0.00 34.95 31.66 1u7p s ARG 3 CO 0.00 -0.36 0.46 -0.51 0.02 0.00 0.00 175.30 174.91 1u7p s LEU 4 N 1.84 4.25 0.72 2.53 1.43 -1.26 -3.98 118.68 124.22 1u7p s LEU 4 Ca 0.09 0.80 -0.11 0.00 -1.03 0.00 0.00 54.13 53.87 1u7p s LEU 4 Cb -0.17 -3.40 0.02 0.00 0.03 0.00 0.00 46.19 42.68 1u7p s LEU 4 CO 0.11 0.03 1.07 -2.16 0.23 0.00 0.00 176.35 175.63 1u7p s PRO 5 N -2.53 2.70 0.00 1.29 0.04 -1.26 -4.95 135.00 130.29 1u7p s PRO 5 Ca 0.42 0.83 0.25 0.00 0.04 0.00 0.00 61.00 62.54 1u7p s PRO 5 Cb -0.12 -1.97 0.56 0.00 0.04 0.00 0.00 34.50 33.00 1u7p s PRO 5 CO 0.22 -1.23 1.44 1.63 0.04 0.00 0.00 177.00 179.09 1u7p n LYS 6 N -3.20 0.49 -3.64 4.56 4.76 0.27 -4.80 118.16 116.59 1u7p n LYS 6 Ca 0.07 -0.30 -0.09 0.00 -2.87 0.00 0.00 58.31 55.12 1u7p n LYS 6 Cb 0.54 -1.49 -0.07 0.00 -1.84 0.00 0.00 35.03 32.17 1u7p n LYS 6 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1u7p s LEU 7 N -2.72 -0.84 -0.14 -0.35 2.96 -1.20 -4.20 118.68 112.20 1u7p s LEU 7 Ca 0.18 1.46 0.01 0.00 -0.22 0.00 0.00 54.13 55.56 1u7p s LEU 7 Cb 0.18 2.35 -0.01 0.00 0.50 0.00 0.00 46.19 49.22 1u7p s LEU 7 CO 0.61 -0.24 -0.15 0.00 -1.32 0.00 0.00 176.35 175.25 1u7p s ALA 8 N 1.28 2.50 -0.04 5.97 0.00 -0.35 -1.48 121.76 129.64 1u7p s ALA 8 Ca -0.07 -0.97 0.06 0.00 0.00 0.00 0.00 51.96 50.98 1u7p s ALA 8 Cb -0.05 -1.16 -0.02 0.00 0.00 0.00 0.00 23.12 21.89 1u7p s ALA 8 CO -0.14 0.13 -0.23 0.08 0.00 0.00 0.00 175.76 175.60 1u7p s VAL 9 N 0.56 2.27 0.03 0.00 1.01 0.08 -1.07 120.40 123.29 1u7p s VAL 9 Ca -0.09 -1.01 0.07 0.00 0.00 0.00 0.00 61.98 60.95 1u7p s VAL 9 Cb -0.16 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 1u7p s VAL 9 CO 0.04 0.58 -0.21 -0.36 0.00 0.00 0.00 175.10 175.14 1u7p s PHE 10 N -0.46 1.84 0.87 5.22 0.40 -0.16 -1.28 117.98 124.41 1u7p s PHE 10 Ca 0.05 -0.37 -0.09 0.00 -0.60 0.00 0.00 56.93 55.92 1u7p s PHE 10 Cb -0.11 -1.11 0.18 0.00 0.51 0.00 0.00 43.02 42.48 1u7p s PHE 10 CO 0.01 0.07 1.19 0.34 0.70 0.00 0.00 175.22 177.53 1u7p s ASP 11 N -1.05 3.58 -0.06 1.36 2.15 -0.75 -0.87 116.67 121.02 1u7p s ASP 11 Ca 0.08 -0.04 -0.09 0.00 0.43 0.00 0.00 52.55 52.92 1u7p s ASP 11 Cb -0.09 -0.12 -0.03 0.00 -0.30 0.00 0.00 42.92 42.39 1u7p s ASP 11 CO 0.01 -2.40 -0.18 0.18 -0.17 0.00 0.00 175.17 172.61 1u7p n LEU 12 N -3.39 1.39 -4.75 -1.34 4.77 -1.26 -4.21 117.00 108.21 1u7p n LEU 12 Ca 0.16 0.22 -0.42 0.00 -0.03 0.00 0.00 56.01 55.94 1u7p n LEU 12 Cb 0.60 -0.54 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 1u7p n LEU 12 CO 0.44 -0.47 1.17 0.47 -1.33 0.00 0.00 177.39 177.66 1u7p n ASP 13 N -3.86 3.71 -1.93 -1.43 8.00 -1.26 -0.73 116.55 119.06 1u7p n ASP 13 Ca -0.07 1.18 -0.09 0.00 0.71 0.00 0.00 54.79 56.52 1u7p n ASP 13 Cb 0.27 -1.59 -0.02 0.00 -0.02 0.00 0.00 41.12 39.76 1u7p n ASP 13 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1u7p n TYR 14 N 1.35 -1.12 0.06 1.24 4.02 0.15 -4.61 117.16 118.26 1u7p n TYR 14 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.95 1u7p n TYR 14 Cb 0.37 -2.22 0.00 0.00 -0.02 0.00 0.00 39.34 37.47 1u7p n TYR 14 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1u7p n THR 15 N -2.48 0.44 -0.06 -0.72 -1.04 -0.79 -3.66 114.28 105.97 1u7p n THR 15 Ca -0.10 0.14 -0.04 0.00 -2.04 0.00 0.00 64.05 62.01 1u7p n THR 15 Cb 0.46 -1.08 -0.15 0.00 -1.82 0.00 0.00 70.33 67.74 1u7p n THR 15 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1u7p n LEU 16 N -3.24 0.14 -3.89 -4.42 4.77 0.10 -1.63 117.00 108.82 1u7p n LEU 16 Ca 0.00 0.06 -0.11 0.00 -0.03 0.00 0.00 56.01 55.93 1u7p n LEU 16 Cb 0.10 0.32 -0.13 0.00 -2.33 0.00 0.00 43.42 41.37 1u7p n LEU 16 CO 0.00 0.33 -0.34 -1.66 -1.33 0.00 0.00 177.39 174.40 1u7p s TRP 17 N -2.79 0.05 -0.17 -1.77 -2.14 -1.16 -1.13 118.94 109.83 1u7p s TRP 17 Ca -0.08 -0.09 -0.04 0.00 2.66 0.00 0.00 56.10 58.55 1u7p s TRP 17 Cb 0.08 -0.04 -0.13 0.00 -3.10 0.00 0.00 33.47 30.28 1u7p s TRP 17 CO 0.85 -0.06 2.25 -0.35 -2.66 0.00 0.00 176.95 176.97 1u7p n PRO 18 N 2.66 1.32 -3.80 3.25 -0.04 -1.26 0.33 135.00 137.46 1u7p n PRO 18 Ca -0.15 -0.73 0.02 0.00 -0.04 0.00 0.00 63.50 62.59 1u7p n PRO 18 Cb 0.59 -1.91 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 1u7p n PRO 18 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1u7p s PHE 19 N 2.15 -0.00 -0.29 0.54 -0.12 -1.26 -4.90 117.98 114.09 1u7p s PHE 19 Ca 0.38 -0.11 -0.11 0.00 -0.05 0.00 0.00 56.93 57.05 1u7p s PHE 19 Cb 0.17 0.56 -0.03 0.00 -0.63 0.00 0.00 43.02 43.08 1u7p s PHE 19 CO -0.01 -0.28 0.17 -1.58 -0.05 0.00 0.00 175.22 173.47 1u7p s TRP 20 N -2.21 3.19 0.59 3.49 0.51 -1.26 -3.01 118.94 120.25 1u7p s TRP 20 Ca 0.22 -0.17 0.42 0.00 -2.12 0.00 0.00 56.10 54.45 1u7p s TRP 20 Cb 0.02 -2.37 2.27 0.00 -0.81 0.00 0.00 33.47 32.58 1u7p s TRP 20 CO -0.02 -0.29 2.32 -0.24 -0.51 0.00 0.00 176.95 178.21 1u7p h VAL 21 N 5.48 0.04 -0.27 4.03 3.04 -1.96 -0.24 116.25 126.37 1u7p h VAL 21 Ca -0.34 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 1u7p h VAL 21 Cb 1.17 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 31.52 1u7p h VAL 21 CO 0.59 0.00 0.00 -0.90 -1.01 0.00 0.00 177.57 176.25 1u7p n ASP 22 N -3.14 2.34 0.06 3.17 5.75 -1.26 -4.52 116.55 118.95 1u7p n ASP 22 Ca -0.03 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.91 1u7p n ASP 22 Cb 0.10 -0.18 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 1u7p n ASP 22 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1u7p n THR 23 N 0.76 0.19 0.91 2.12 -1.04 -0.19 -4.91 114.28 112.11 1u7p n THR 23 Ca 0.17 0.06 0.11 0.00 -2.04 0.00 0.00 64.05 62.35 1u7p n THR 23 Cb 0.42 -0.83 0.53 0.00 -1.82 0.00 0.00 70.33 68.63 1u7p n THR 23 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1u7p n HIS 24 N -3.06 0.00 -4.02 -1.42 8.25 -0.64 -4.86 115.22 109.46 1u7p n HIS 24 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 1u7p n HIS 24 Cb 0.08 -0.42 -0.11 0.00 1.12 0.00 0.00 29.99 30.66 1u7p n HIS 24 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1u7p s VAL 25 N -2.84 0.22 -0.40 1.59 -7.23 -1.26 -5.04 120.40 105.43 1u7p s VAL 25 Ca 0.15 -1.16 -0.11 0.00 -1.81 0.00 0.00 61.98 59.05 1u7p s VAL 25 Cb 0.15 -0.62 0.05 0.00 0.56 0.00 0.00 36.38 36.52 1u7p s VAL 25 CO 0.40 -0.60 0.25 -1.81 -0.31 0.00 0.00 175.10 173.02 1u7p s ASP 26 N -1.84 5.77 0.82 4.85 1.01 -1.26 -4.84 116.67 121.18 1u7p s ASP 26 Ca -0.09 -1.18 -0.11 0.00 0.71 0.00 0.00 52.55 51.88 1u7p s ASP 26 Cb -0.06 -2.04 0.09 0.00 1.01 0.00 0.00 42.92 41.92 1u7p s ASP 26 CO -0.03 -0.46 1.10 -2.84 0.21 0.00 0.00 175.17 173.15 1u7p s PRO 27 N 1.53 1.82 1.05 8.23 0.02 -1.26 -1.47 135.00 144.92 1u7p s PRO 27 Ca 0.02 1.15 -0.18 0.00 0.02 0.00 0.00 61.00 62.02 1u7p s PRO 27 Cb -0.21 -1.85 0.25 0.00 0.02 0.00 0.00 34.50 32.71 1u7p s PRO 27 CO 0.05 -1.94 1.24 -2.30 -0.33 0.00 0.00 177.00 173.72 1u7p n PRO 28 N -3.72 -1.90 -4.48 5.54 -0.02 -1.26 -4.67 135.00 124.48 1u7p n PRO 28 Ca 0.09 -1.94 -0.24 0.00 -2.02 0.00 0.00 63.50 59.39 1u7p n PRO 28 Cb 0.53 -1.45 -0.10 0.00 -0.02 0.00 0.00 33.50 32.46 1u7p n PRO 28 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1u7p s PHE 29 N -3.58 2.24 0.06 6.00 0.40 -1.26 -3.67 117.98 118.18 1u7p s PHE 29 Ca 0.73 -0.47 -0.26 0.00 -0.60 0.00 0.00 56.93 56.33 1u7p s PHE 29 Cb -0.04 -1.15 0.07 0.00 0.51 0.00 0.00 43.02 42.42 1u7p s PHE 29 CO 0.53 0.58 0.67 -3.38 0.70 0.00 0.00 175.22 174.31 1u7p s HIS 30 N -2.66 -0.56 -0.10 0.36 -3.43 -0.37 -4.95 115.29 103.59 1u7p s HIS 30 Ca 0.30 0.60 -0.27 0.00 -0.80 0.00 0.00 55.06 54.89 1u7p s HIS 30 Cb -0.00 0.50 -0.02 0.00 -1.43 0.00 0.00 32.58 31.63 1u7p s HIS 30 CO 0.14 -0.72 0.88 0.15 -2.00 0.00 0.00 174.74 173.19 1u7p s LYS 31 N -2.73 4.41 0.00 -0.38 1.02 -1.26 -0.22 119.74 120.57 1u7p s LYS 31 Ca -0.03 1.17 0.00 0.00 0.02 0.00 0.00 55.97 57.13 1u7p s LYS 31 Cb -0.01 -3.52 0.00 0.00 -0.52 0.00 0.00 37.83 33.79 1u7p s LYS 31 CO -0.04 -0.19 0.00 -1.13 -0.92 0.00 0.00 175.35 173.07 1u7p n SER 32 N 4.61 0.00 -0.40 2.83 3.41 0.11 -4.85 113.62 119.34 1u7p n SER 32 Ca 0.05 -0.81 0.32 0.00 -0.26 0.00 0.00 58.87 58.17 1u7p n SER 32 Cb 0.50 0.00 0.61 0.00 -0.26 0.00 0.00 64.21 65.06 1u7p n SER 32 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1u7p h SER 33 N 0.00 0.29 -0.18 4.04 4.64 -1.96 0.16 113.55 120.53 1u7p h SER 33 Ca 0.00 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 1u7p h SER 33 Cb 0.00 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1u7p h SER 33 CO 0.00 -0.08 0.00 -0.90 -0.87 0.00 0.00 176.83 174.98 1u7p n ASP 34 N -4.62 3.13 0.00 4.97 5.68 -1.26 -4.96 116.55 119.48 1u7p n ASP 34 Ca 0.33 -2.77 0.00 0.00 -0.50 0.00 0.00 54.79 51.85 1u7p n ASP 34 Cb 1.25 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 40.82 1u7p n ASP 34 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1u7p n GLY 35 N -0.59 3.30 3.77 6.12 0.00 0.54 -5.04 105.19 113.29 1u7p n GLY 35 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1u7p n GLY 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u7p s THR 36 N -2.28 2.22 0.19 2.61 -4.23 -1.26 -4.23 115.64 108.67 1u7p s THR 36 Ca 0.00 0.21 -0.30 0.00 -1.18 0.00 0.00 61.69 60.42 1u7p s THR 36 Cb 0.00 -3.13 -0.08 0.00 1.34 0.00 0.00 72.50 70.63 1u7p s THR 36 CO 0.00 0.04 1.01 -0.69 -0.54 0.00 0.00 174.62 174.45 1u7p s VAL 37 N -0.67 4.05 0.04 2.29 1.01 -1.26 0.10 120.40 125.97 1u7p s VAL 37 Ca 0.56 1.87 -0.01 0.00 0.00 0.00 0.00 61.98 64.40 1u7p s VAL 37 Cb -0.45 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 31.70 1u7p s VAL 37 CO 0.55 0.37 -0.01 -0.13 0.00 0.00 0.00 175.10 175.87 1u7p s ARG 38 N -0.65 0.52 0.31 2.72 0.52 0.69 -1.11 118.95 121.95 1u7p s ARG 38 Ca 0.46 -0.98 0.05 0.00 -0.52 0.00 0.00 55.73 54.74 1u7p s ARG 38 Cb -0.27 0.18 0.05 0.00 0.52 0.00 0.00 34.95 35.43 1u7p s ARG 38 CO 0.33 -0.10 0.40 -0.40 0.02 0.00 0.00 175.30 175.55 1u7p n ASP 39 N 0.64 1.31 0.31 0.23 5.75 -1.21 -1.23 116.55 122.34 1u7p n ASP 39 Ca -0.18 -1.88 0.18 0.00 -0.01 0.00 0.00 54.79 52.91 1u7p n ASP 39 Cb 0.59 -0.19 0.98 0.00 -1.03 0.00 0.00 41.12 41.47 1u7p n ASP 39 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1u7p h ARG 40 N 0.00 0.00 -0.63 0.11 3.08 -1.33 0.26 114.38 115.87 1u7p h ARG 40 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1u7p h ARG 40 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1u7p h ARG 40 CO 0.23 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.67 1u7p n ARG 41 N -2.87 3.09 -1.22 0.04 1.74 -1.26 -4.95 116.66 111.23 1u7p n ARG 41 Ca -0.02 -2.65 -0.07 0.00 -0.77 0.00 0.00 57.85 54.33 1u7p n ARG 41 Cb 0.17 -1.64 -0.03 0.00 -1.02 0.00 0.00 32.46 29.95 1u7p n ARG 41 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1u7p n GLY 42 N 1.24 0.90 3.77 -0.13 0.00 0.08 -4.98 105.19 106.07 1u7p n GLY 42 Ca 0.23 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 1u7p n GLY 42 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1u7p s GLN 43 N -2.32 4.39 -0.61 1.61 -0.21 -1.26 -4.78 119.66 116.47 1u7p s GLN 43 Ca 0.00 2.13 -0.28 0.00 0.02 0.00 0.00 55.36 57.23 1u7p s GLN 43 Cb 0.00 -3.07 0.03 0.00 1.00 0.00 0.00 33.01 30.97 1u7p s GLN 43 CO 0.00 -0.13 1.21 1.21 -2.12 0.00 0.00 175.29 175.46 1u7p s ASN 44 N -0.59 6.39 -0.18 5.90 3.04 -1.26 -3.36 114.94 124.88 1u7p s ASN 44 Ca 0.49 0.01 -0.22 0.00 0.04 0.00 0.00 52.86 53.18 1u7p s ASN 44 Cb -0.38 -2.55 -0.02 0.00 -1.54 0.00 0.00 41.25 36.75 1u7p s ASN 44 CO 0.50 -1.55 0.67 -0.63 -3.04 0.00 0.00 177.10 173.05 1u7p s ILE 45 N 5.12 5.00 0.08 -5.21 -1.09 -0.27 -5.03 121.20 119.79 1u7p s ILE 45 Ca 0.42 1.30 0.03 0.00 -2.23 0.00 0.00 60.65 60.16 1u7p s ILE 45 Cb -0.08 -3.99 -0.03 0.00 -1.58 0.00 0.00 42.46 36.78 1u7p s ILE 45 CO 0.24 0.11 -0.10 -1.10 -1.23 0.00 0.00 174.94 172.86 1u7p s GLN 46 N 1.82 0.75 0.62 2.79 -0.21 -1.26 -4.18 119.66 119.99 1u7p s GLN 46 Ca 0.31 -1.04 -0.03 0.00 0.02 0.00 0.00 55.36 54.63 1u7p s GLN 46 Cb -0.16 -0.47 0.04 0.00 1.00 0.00 0.00 33.01 33.43 1u7p s GLN 46 CO 0.11 0.08 0.89 -0.51 -2.12 0.00 0.00 175.29 173.74 1u7p s LEU 47 N -2.17 3.07 0.42 2.90 1.02 -1.26 -4.37 118.68 118.29 1u7p s LEU 47 Ca 0.01 0.26 -0.25 0.00 0.02 0.00 0.00 54.13 54.16 1u7p s LEU 47 Cb -0.05 -3.03 -0.08 0.00 0.02 0.00 0.00 46.19 43.05 1u7p s LEU 47 CO -0.00 -1.33 1.26 -0.31 0.02 0.00 0.00 176.35 175.99 1u7p s TYR 48 N -2.99 2.85 0.38 0.29 1.51 -0.28 -4.89 117.35 114.22 1u7p s TYR 48 Ca 0.58 1.45 0.19 0.00 -1.01 0.00 0.00 57.07 58.29 1u7p s TYR 48 Cb -0.11 -3.59 1.18 0.00 -0.11 0.00 0.00 41.96 39.34 1u7p s TYR 48 CO 0.42 -1.91 1.68 -1.00 -1.11 0.00 0.00 175.55 173.63 1u7p h PRO 49 N 2.54 0.28 -0.68 -1.71 0.13 -1.91 -2.58 132.00 128.06 1u7p h PRO 49 Ca -0.49 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1u7p h PRO 49 Cb 1.25 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1u7p h PRO 49 CO 0.62 0.18 0.00 0.39 -0.23 0.00 0.00 178.00 178.96 1u7p n GLU 50 N -4.85 3.22 -0.01 0.86 1.02 -1.26 -4.64 120.64 114.97 1u7p n GLU 50 Ca 0.32 -2.76 -0.09 0.00 -0.02 0.00 0.00 57.16 54.61 1u7p n GLU 50 Cb 1.07 -1.71 -0.03 0.00 -0.02 0.00 0.00 31.44 30.75 1u7p n GLU 50 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1u7p h VAL 51 N 4.10 0.65 -0.72 2.62 2.07 -1.73 0.25 116.25 123.48 1u7p h VAL 51 Ca 0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 1u7p h VAL 51 Cb 1.20 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 31.55 1u7p h VAL 51 CO 0.11 0.00 0.39 -0.65 0.02 0.00 0.00 177.57 177.44 1u7p h PRO 52 N -0.14 0.65 -0.39 1.57 0.11 -1.84 -0.04 132.00 131.92 1u7p h PRO 52 Ca 0.10 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 66.08 1u7p h PRO 52 Cb 0.28 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 1u7p h PRO 52 CO -0.23 0.43 -0.12 0.93 -0.21 0.00 0.00 178.00 178.80 1u7p h GLU 53 N 0.67 0.69 -0.22 1.05 3.07 -1.79 0.11 114.58 118.16 1u7p h GLU 53 Ca 0.35 -0.22 -0.02 0.00 -0.50 0.00 0.00 59.36 58.96 1u7p h GLU 53 Cb 0.31 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 1u7p h GLU 53 CO -0.24 0.79 0.05 0.28 -1.40 0.00 0.00 179.01 178.49 1u7p h VAL 54 N 0.63 1.21 -0.01 3.13 2.07 0.15 0.92 116.25 124.34 1u7p h VAL 54 Ca 0.11 -0.68 -0.13 0.00 0.82 0.00 0.00 66.70 66.82 1u7p h VAL 54 Cb 0.56 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1u7p h VAL 54 CO 0.04 0.21 -0.60 -0.07 0.02 0.00 0.00 177.57 177.17 1u7p h LEU 55 N 0.18 0.05 -0.50 2.57 3.38 -0.90 -2.75 115.31 117.34 1u7p h LEU 55 Ca 0.07 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 1u7p h LEU 55 Cb 0.28 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1u7p h LEU 55 CO 0.00 0.64 -0.22 1.23 0.09 0.00 0.00 178.44 180.18 1u7p h GLY 56 N 1.75 1.08 1.01 0.83 0.00 -0.55 -2.07 103.07 105.13 1u7p h GLY 56 Ca -0.01 -0.96 0.01 0.00 0.00 0.00 0.00 47.33 46.37 1u7p h GLY 56 CO 0.08 0.87 0.59 -0.09 0.00 0.00 0.00 176.54 177.99 1u7p h ARG 57 N 0.86 1.18 -0.63 4.80 9.65 -0.63 0.14 114.38 129.75 1u7p h ARG 57 Ca 0.11 -0.07 -0.09 0.00 -1.10 0.00 0.00 59.98 58.82 1u7p h ARG 57 Cb 0.80 -0.27 -0.02 0.00 -1.39 0.00 0.00 29.97 29.09 1u7p h ARG 57 CO 0.07 0.78 0.03 -0.07 2.80 0.00 0.00 179.97 183.58 1u7p h LEU 58 N 1.21 1.07 -0.35 3.80 3.38 -1.31 -1.41 115.31 121.71 1u7p h LEU 58 Ca 0.33 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1u7p h LEU 58 Cb -0.14 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.30 1u7p h LEU 58 CO -0.07 1.10 0.19 -0.61 0.09 0.00 0.00 178.44 179.14 1u7p h GLN 59 N 1.01 0.39 -0.84 1.13 5.75 -0.60 -1.22 115.11 120.73 1u7p h GLN 59 Ca 0.18 -0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.70 1u7p h GLN 59 Cb 0.53 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 28.95 1u7p h GLN 59 CO 0.03 0.26 0.55 1.03 -2.65 0.00 0.00 178.83 178.04 1u7p h SER 60 N 0.40 0.88 1.11 -0.69 0.87 -0.63 -1.78 113.55 113.71 1u7p h SER 60 Ca 0.14 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1u7p h SER 60 Cb 0.02 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.78 1u7p h SER 60 CO -0.08 0.60 0.00 0.18 -0.53 0.00 0.00 176.83 177.00 1u7p n LEU 61 N -4.46 0.32 0.00 2.23 4.77 -0.56 -4.91 117.00 114.40 1u7p n LEU 61 Ca 0.11 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.63 1u7p n LEU 61 Cb 0.13 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 1u7p n LEU 61 CO 0.34 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1u7p n GLY 62 N 1.23 0.52 3.52 -0.72 0.00 -0.54 -5.03 105.19 104.18 1u7p n GLY 62 Ca 0.06 -0.68 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 1u7p n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u7p s VAL 63 N -2.00 5.04 0.58 1.61 1.01 -0.72 -5.03 120.40 120.89 1u7p s VAL 63 Ca 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 61.98 61.76 1u7p s VAL 63 Cb 0.00 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 1u7p s VAL 63 CO 0.00 -0.33 1.30 -2.84 0.00 0.00 0.00 175.10 173.22 1u7p s PRO 64 N 2.29 2.98 0.04 2.72 0.02 -1.26 -4.40 135.00 137.39 1u7p s PRO 64 Ca 0.15 2.07 0.09 0.00 0.02 0.00 0.00 61.00 63.33 1u7p s PRO 64 Cb -0.16 -2.08 -0.03 0.00 0.02 0.00 0.00 34.50 32.25 1u7p s PRO 64 CO 0.14 -1.26 -0.25 0.08 -0.33 0.00 0.00 177.00 175.37 1u7p s VAL 65 N -1.40 2.04 0.12 3.83 1.01 -1.26 -1.21 120.40 123.52 1u7p s VAL 65 Ca 0.75 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1u7p s VAL 65 Cb -0.37 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 1u7p s VAL 65 CO 0.41 0.37 -0.00 0.00 0.00 0.00 0.00 175.10 175.88 1u7p s ALA 66 N -0.77 0.95 0.01 5.51 0.00 -0.23 -0.88 121.76 126.35 1u7p s ALA 66 Ca 0.11 -1.42 0.08 0.00 0.00 0.00 0.00 51.96 50.73 1u7p s ALA 66 Cb -0.10 0.50 -0.02 0.00 0.00 0.00 0.00 23.12 23.50 1u7p s ALA 66 CO 0.02 -0.36 -0.25 0.00 0.00 0.00 0.00 175.76 175.17 1u7p s ALA 67 N -3.82 2.09 -0.24 0.00 0.00 -0.70 -0.99 121.76 118.09 1u7p s ALA 67 Ca 0.18 -1.14 -0.04 0.00 0.00 0.00 0.00 51.96 50.96 1u7p s ALA 67 Cb 0.07 -0.49 0.08 0.00 0.00 0.00 0.00 23.12 22.78 1u7p s ALA 67 CO -0.02 0.50 0.10 0.00 0.00 0.00 0.00 175.76 176.35 1u7p s ALA 68 N -0.68 0.71 0.07 0.00 0.00 -0.05 -0.49 121.76 121.31 1u7p s ALA 68 Ca 0.10 -0.86 0.09 0.00 0.00 0.00 0.00 51.96 51.29 1u7p s ALA 68 Cb -0.10 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.72 1u7p s ALA 68 CO 0.00 -1.44 -0.24 0.45 0.00 0.00 0.00 175.76 174.54 1u7p s SER 69 N 2.03 2.84 0.00 0.00 0.15 0.31 -4.11 113.70 114.91 1u7p s SER 69 Ca 0.06 -0.61 0.22 0.00 0.70 0.00 0.00 55.95 56.32 1u7p s SER 69 Cb -0.16 -0.22 0.51 0.00 -1.71 0.00 0.00 66.02 64.44 1u7p s SER 69 CO -0.23 0.18 1.45 0.54 1.20 0.00 0.00 173.24 176.37 1u7p n ARG 70 N 1.54 2.45 -1.82 5.44 1.74 -1.26 -1.60 116.66 123.15 1u7p n ARG 70 Ca -0.18 -2.21 -0.38 0.00 -0.77 0.00 0.00 57.85 54.31 1u7p n ARG 70 Cb 0.53 -1.51 0.04 0.00 -1.02 0.00 0.00 32.46 30.50 1u7p n ARG 70 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1u7p s THR 71 N -1.41 2.16 -0.48 0.55 -1.32 -1.26 -3.43 115.64 110.45 1u7p s THR 71 Ca 0.40 0.12 0.23 0.00 -1.21 0.00 0.00 61.69 61.23 1u7p s THR 71 Cb 0.22 -3.06 0.02 0.00 -1.51 0.00 0.00 72.50 68.18 1u7p s THR 71 CO 0.31 -0.00 1.19 0.77 -2.21 0.00 0.00 174.62 174.68 1u7p h SER 72 N 1.47 0.00 -1.59 8.08 4.64 -1.95 -3.28 113.55 120.92 1u7p h SER 72 Ca -0.51 -0.14 -0.76 0.00 -0.47 0.00 0.00 61.79 59.90 1u7p h SER 72 Cb 1.30 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.22 1u7p h SER 72 CO 0.57 0.07 1.88 1.21 -0.87 0.00 0.00 176.83 179.69 1u7p n GLU 73 N -2.33 3.93 -0.09 4.77 4.07 -1.26 -4.76 120.64 124.97 1u7p n GLU 73 Ca 0.02 -3.70 -0.11 0.00 -0.06 0.00 0.00 57.16 53.31 1u7p n GLU 73 Cb 0.48 -2.81 -0.04 0.00 -0.06 0.00 0.00 31.44 29.01 1u7p n GLU 73 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 1u7p h ILE 74 N 3.50 1.26 -0.61 6.31 2.04 -1.90 -2.21 117.51 125.89 1u7p h ILE 74 Ca 0.41 -0.95 -0.02 0.00 1.00 0.00 0.00 64.86 65.30 1u7p h ILE 74 Cb 0.57 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 38.00 1u7p h ILE 74 CO 1.56 0.30 0.31 1.56 0.00 0.00 0.00 178.15 181.88 1u7p h GLN 75 N 0.24 0.87 -0.70 2.37 4.20 -1.96 -2.08 115.11 118.04 1u7p h GLN 75 Ca 0.07 -0.12 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 1u7p h GLN 75 Cb 0.44 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 1u7p h GLN 75 CO 0.02 0.68 0.25 0.78 -0.67 0.00 0.00 178.83 179.89 1u7p h GLY 76 N 0.83 1.14 0.93 3.46 0.00 -1.94 -1.52 103.07 105.97 1u7p h GLY 76 Ca 0.21 -0.65 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 1u7p h GLY 76 CO -0.03 0.61 0.06 0.00 0.00 0.00 0.00 176.54 177.18 1u7p h ALA 77 N 1.12 0.15 -0.80 3.60 0.00 -1.14 -2.12 119.26 120.07 1u7p h ALA 77 Ca 0.23 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1u7p h ALA 77 Cb 0.25 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1u7p h ALA 77 CO -0.01 -0.31 0.32 -0.91 0.00 0.00 0.00 179.25 178.34 1u7p h ASN 78 N 0.09 1.10 -0.88 0.00 2.35 -1.27 -2.28 115.58 114.70 1u7p h ASN 78 Ca 0.04 -0.17 0.01 0.00 -0.55 0.00 0.00 56.30 55.63 1u7p h ASN 78 Cb 0.08 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.12 1u7p h ASN 78 CO -0.01 0.97 0.57 -0.61 -1.65 0.00 0.00 177.43 176.70 1u7p h GLN 79 N 1.16 1.17 -0.31 0.81 4.15 -1.09 -1.94 115.11 119.05 1u7p h GLN 79 Ca 0.27 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.60 1u7p h GLN 79 Cb 0.21 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 1u7p h GLN 79 CO -0.02 0.78 0.14 -0.07 -1.93 0.00 0.00 178.83 177.73 1u7p h LEU 80 N 1.20 0.41 -0.97 -2.39 3.38 -1.07 0.15 115.31 116.02 1u7p h LEU 80 Ca 0.32 -0.14 0.13 0.00 0.09 0.00 0.00 57.88 58.28 1u7p h LEU 80 Cb -0.12 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 40.43 1u7p h LEU 80 CO -0.07 0.44 0.59 -0.07 0.09 0.00 0.00 178.44 179.42 1u7p h LEU 81 N 0.36 0.84 -0.06 1.67 3.38 -0.96 0.22 115.31 120.76 1u7p h LEU 81 Ca 0.10 0.06 -0.19 0.00 0.09 0.00 0.00 57.88 57.94 1u7p h LEU 81 Cb 0.14 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.80 1u7p h LEU 81 CO -0.01 0.42 -0.72 -0.33 0.09 0.00 0.00 178.44 177.89 1u7p h GLU 82 N 0.90 0.59 -0.05 1.13 3.07 -0.90 0.11 114.58 119.43 1u7p h GLU 82 Ca 0.50 -0.55 -0.07 0.00 -0.50 0.00 0.00 59.36 58.74 1u7p h GLU 82 Cb 0.57 0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.61 1u7p h GLU 82 CO -0.30 1.17 -0.30 -0.07 -1.40 0.00 0.00 179.01 178.12 1u7p h LEU 83 N 0.20 0.08 -1.21 1.33 3.38 -0.19 -2.16 115.31 116.75 1u7p h LEU 83 Ca -0.07 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1u7p h LEU 83 Cb 1.38 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.11 1u7p h LEU 83 CO 0.14 0.39 0.00 0.49 0.09 0.00 0.00 178.44 179.55 1u7p n PHE 84 N -4.16 0.25 -3.62 1.13 3.01 0.02 -4.95 117.46 109.15 1u7p n PHE 84 Ca -0.02 -0.13 -0.20 0.00 1.01 0.00 0.00 57.45 58.11 1u7p n PHE 84 Cb 0.37 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.88 1u7p n PHE 84 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1u7p n ASP 85 N 0.42 -1.79 -0.00 4.37 2.03 -0.81 -4.91 116.55 115.85 1u7p n ASP 85 Ca 0.16 -0.78 0.05 0.00 0.52 0.00 0.00 54.79 54.74 1u7p n ASP 85 Cb 0.35 -4.32 -0.07 0.00 -0.72 0.00 0.00 41.12 36.36 1u7p n ASP 85 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1u7p n LEU 86 N -4.18 0.36 -0.29 -2.67 4.77 0.37 -4.59 117.00 110.77 1u7p n LEU 86 Ca -0.28 -0.35 0.13 0.00 -0.03 0.00 0.00 56.01 55.48 1u7p n LEU 86 Cb 0.67 0.00 0.38 0.00 -2.33 0.00 0.00 43.42 42.14 1u7p n LEU 86 CO 0.66 0.09 1.22 1.23 -1.33 0.00 0.00 177.39 179.26 1u7p h GLY 87 N 2.37 1.27 1.93 -0.72 0.00 -1.90 0.13 103.07 106.15 1u7p h GLY 87 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1u7p h GLY 87 CO 0.00 0.06 0.04 0.07 0.00 0.00 0.00 176.54 176.70 1u7p h LYS 88 N 0.68 0.00 0.00 4.80 2.10 -1.92 -2.09 116.57 120.14 1u7p h LYS 88 Ca 0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.13 1u7p h LYS 88 Cb 0.80 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.13 1u7p h LYS 88 CO -0.23 0.00 -0.54 1.88 -2.00 0.00 0.00 179.45 178.55 1u7p h TYR 89 N 0.00 0.00 -3.44 0.07 -1.99 -1.29 -3.47 116.97 106.86 1u7p h TYR 89 Ca 0.00 0.00 -0.66 0.00 2.00 0.00 0.00 58.73 60.07 1u7p h TYR 89 Cb 0.07 0.00 -0.19 0.00 2.00 0.00 0.00 36.73 38.61 1u7p h TYR 89 CO 0.00 0.00 -0.67 -0.06 -0.00 0.00 0.00 178.16 177.43 1u7p s PHE 90 N -3.17 3.02 -0.56 4.88 0.40 -0.79 -4.25 117.98 117.51 1u7p s PHE 90 Ca 0.06 -0.09 0.22 0.00 -0.60 0.00 0.00 56.93 56.53 1u7p s PHE 90 Cb 0.13 -1.83 -0.10 0.00 0.51 0.00 0.00 43.02 41.72 1u7p s PHE 90 CO 0.71 0.20 0.88 0.44 0.70 0.00 0.00 175.22 178.14 1u7p n ILE 91 N 2.78 0.10 -3.69 0.64 -5.35 -0.06 -4.95 119.36 108.84 1u7p n ILE 91 Ca -0.18 -0.25 -0.14 0.00 -0.27 0.00 0.00 62.75 61.90 1u7p n ILE 91 Cb 0.53 0.32 -0.08 0.00 -1.74 0.00 0.00 39.64 38.67 1u7p n ILE 91 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1u7p s GLN 92 N -3.23 0.73 -0.04 6.28 -1.52 -1.24 -5.06 119.66 115.58 1u7p s GLN 92 Ca 0.02 0.15 -0.01 0.00 -1.95 0.00 0.00 55.36 53.57 1u7p s GLN 92 Cb 0.15 0.34 0.03 0.00 -0.22 0.00 0.00 33.01 33.30 1u7p s GLN 92 CO 0.84 -0.19 0.03 1.03 -0.25 0.00 0.00 175.29 176.76 1u7p s ARG 93 N -0.85 0.12 -0.36 2.91 0.52 -1.26 -1.73 118.95 118.30 1u7p s ARG 93 Ca -0.09 0.24 0.04 0.00 -0.52 0.00 0.00 55.73 55.40 1u7p s ARG 93 Cb -0.03 -0.54 0.10 0.00 0.52 0.00 0.00 34.95 35.00 1u7p s ARG 93 CO 0.05 -0.26 0.07 -1.21 0.02 0.00 0.00 175.30 173.97 1u7p s GLU 94 N 1.73 1.49 -0.32 3.54 0.41 0.36 -4.96 118.70 120.94 1u7p s GLU 94 Ca -0.00 -1.91 0.02 0.00 -0.41 0.00 0.00 54.97 52.67 1u7p s GLU 94 Cb -0.13 -3.16 0.10 0.00 -1.78 0.00 0.00 34.13 29.16 1u7p s GLU 94 CO -0.03 -0.96 0.05 0.42 -0.49 0.00 0.00 175.26 174.25 1u7p s ILE 95 N 0.82 1.75 -0.28 -1.63 1.01 -1.26 -0.53 121.20 121.08 1u7p s ILE 95 Ca 0.12 -1.92 -0.33 0.00 0.00 0.00 0.00 60.65 58.52 1u7p s ILE 95 Cb -0.20 -2.27 0.18 0.00 0.01 0.00 0.00 42.46 40.18 1u7p s ILE 95 CO -0.08 -0.57 1.35 -0.72 0.00 0.00 0.00 174.94 174.92 1u7p s TYR 96 N 1.18 -0.04 0.82 3.97 -0.85 -0.63 -4.89 117.35 116.92 1u7p s TYR 96 Ca 0.09 0.05 -0.14 0.00 -0.52 0.00 0.00 57.07 56.56 1u7p s TYR 96 Cb -0.18 0.50 0.05 0.00 0.38 0.00 0.00 41.96 42.71 1u7p s TYR 96 CO -0.13 -0.05 0.91 -2.30 -1.52 0.00 0.00 175.55 172.46 1u7p n PRO 97 N 0.31 0.08 0.00 -3.49 -0.02 -1.22 -4.10 135.00 126.55 1u7p n PRO 97 Ca 0.02 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 1u7p n PRO 97 Cb 0.58 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 1u7p n PRO 97 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u7p n GLY 98 N 0.94 2.84 3.69 -1.23 0.00 -1.26 -5.02 105.19 105.16 1u7p n GLY 98 Ca 0.11 -1.99 -0.44 0.00 0.00 0.00 0.00 46.02 43.71 1u7p n GLY 98 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1u7p n SER 99 N 0.00 2.99 0.00 1.61 7.64 -1.26 -4.82 113.62 119.78 1u7p n SER 99 Ca 0.00 1.16 0.07 0.00 1.01 0.00 0.00 58.87 61.11 1u7p n SER 99 Cb 0.00 -1.48 0.37 0.00 -1.01 0.00 0.00 64.21 62.10 1u7p n SER 99 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1u7p n LYS 100 N 1.66 0.29 -0.13 1.43 5.02 -1.26 -2.36 118.16 122.80 1u7p n LYS 100 Ca 0.09 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 1u7p n LYS 100 Cb 0.34 -1.50 0.27 0.00 -0.02 0.00 0.00 35.03 34.12 1u7p n LYS 100 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1u7p h VAL 101 N 0.00 1.18 0.03 -0.18 2.07 -1.88 -0.14 116.25 117.33 1u7p h VAL 101 Ca 0.00 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 1u7p h VAL 101 Cb 0.08 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1u7p h VAL 101 CO 0.00 0.20 -0.01 0.74 0.02 0.00 0.00 177.57 178.52 1u7p h THR 102 N 0.83 1.12 -0.71 2.57 2.02 -1.84 -0.66 112.91 116.24 1u7p h THR 102 Ca 0.21 -0.47 0.10 0.00 0.77 0.00 0.00 66.41 67.02 1u7p h THR 102 Cb 0.03 1.43 -0.07 0.00 -1.74 0.00 0.00 68.15 67.80 1u7p h THR 102 CO -0.03 0.12 0.35 0.45 0.37 0.00 0.00 175.52 176.77 1u7p h HIS 103 N -0.25 0.62 -0.13 3.16 -0.00 -1.55 -2.01 115.15 114.99 1u7p h HIS 103 Ca -0.00 0.03 -0.13 0.00 -0.00 0.00 0.00 60.37 60.26 1u7p h HIS 103 Cb 0.23 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.46 1u7p h HIS 103 CO -0.01 0.22 -0.51 0.74 -0.00 0.00 0.00 177.93 178.37 1u7p h PHE 104 N 0.59 0.42 -0.55 2.45 -1.00 -0.86 -1.33 116.94 116.66 1u7p h PHE 104 Ca 0.35 -0.14 -0.06 0.00 2.81 0.00 0.00 57.97 60.93 1u7p h PHE 104 Cb 0.38 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 39.84 1u7p h PHE 104 CO -0.11 0.78 0.08 0.93 -1.61 0.00 0.00 178.31 178.38 1u7p h GLU 105 N 0.27 0.88 -0.36 1.51 5.08 -0.55 0.11 114.58 121.51 1u7p h GLU 105 Ca 0.01 -0.21 -0.16 0.00 -1.00 0.00 0.00 59.36 58.00 1u7p h GLU 105 Cb 0.99 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 1u7p h GLU 105 CO 0.08 0.82 -0.42 0.00 -1.00 0.00 0.00 179.01 178.50 1u7p h ARG 106 N 0.83 0.92 -0.91 2.33 3.08 -1.17 -0.07 114.38 119.39 1u7p h ARG 106 Ca 0.17 -0.51 -0.01 0.00 0.07 0.00 0.00 59.98 59.70 1u7p h ARG 106 Cb 0.38 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.41 1u7p h ARG 106 CO 0.01 1.16 0.53 -0.07 -1.07 0.00 0.00 179.97 180.52 1u7p h LEU 107 N 0.73 1.11 -0.48 3.04 3.38 -0.81 0.74 115.31 123.03 1u7p h LEU 107 Ca 0.05 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1u7p h LEU 107 Cb 1.02 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1u7p h LEU 107 CO 0.10 0.87 -0.01 -0.74 0.09 0.00 0.00 178.44 178.76 1u7p h HIS 108 N 1.26 0.93 -0.62 1.13 2.76 -0.59 -0.62 115.15 119.40 1u7p h HIS 108 Ca 0.32 -0.17 -0.02 0.00 -2.20 0.00 0.00 60.37 58.30 1u7p h HIS 108 Cb -0.02 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 28.67 1u7p h HIS 108 CO 0.01 0.89 0.30 1.25 -1.30 0.00 0.00 177.93 179.07 1u7p h HIS 109 N 0.71 0.90 0.00 5.26 -0.00 -0.27 0.14 115.15 121.89 1u7p h HIS 109 Ca 0.13 -0.05 -0.12 0.00 -0.00 0.00 0.00 60.37 60.34 1u7p h HIS 109 Cb 0.52 -0.28 -0.02 0.00 -0.00 0.00 0.00 27.41 27.64 1u7p h HIS 109 CO 0.04 0.68 -0.64 0.87 -0.00 0.00 0.00 177.93 178.89 1u7p h LYS 110 N 0.85 0.00 0.00 5.26 1.57 -0.79 -3.36 116.57 120.10 1u7p h LYS 110 Ca 0.21 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.82 1u7p h LYS 110 Cb 0.12 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 1u7p h LYS 110 CO -0.03 0.50 -1.98 0.25 -0.57 0.00 0.00 179.45 177.62 1u7p n THR 111 N -3.19 0.63 -0.93 -0.16 -2.24 -0.25 -4.99 114.28 103.16 1u7p n THR 111 Ca 0.01 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 1u7p n THR 111 Cb 0.76 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 1u7p n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u7p n GLY 112 N 1.78 0.92 3.70 3.38 0.00 0.49 -5.01 105.19 110.46 1u7p n GLY 112 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1u7p n GLY 112 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u7p s VAL 113 N -3.67 4.84 0.68 1.61 1.01 -1.25 -5.02 120.40 118.58 1u7p s VAL 113 Ca 0.00 2.05 -0.15 0.00 0.00 0.00 0.00 61.98 63.88 1u7p s VAL 113 Cb 0.00 -4.31 0.01 0.00 0.00 0.00 0.00 36.38 32.08 1u7p s VAL 113 CO 0.00 0.11 1.13 -2.16 0.00 0.00 0.00 175.10 174.18 1u7p s PRO 114 N 1.31 2.64 0.26 2.72 0.04 -1.26 -4.63 135.00 136.09 1u7p s PRO 114 Ca 0.51 1.45 -0.03 0.00 0.04 0.00 0.00 61.00 62.96 1u7p s PRO 114 Cb -0.20 -1.93 0.39 0.00 0.04 0.00 0.00 34.50 32.81 1u7p s PRO 114 CO 0.25 -1.38 1.86 0.74 0.04 0.00 0.00 177.00 178.51 1u7p h PHE 115 N -0.09 1.11 0.00 0.56 -1.00 -1.94 -1.76 116.94 113.82 1u7p h PHE 115 Ca -0.47 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 60.34 1u7p h PHE 115 Cb 1.25 -0.36 -0.00 0.00 3.61 0.00 0.00 35.95 40.45 1u7p h PHE 115 CO 0.53 0.56 -0.01 0.66 -1.61 0.00 0.00 178.31 178.44 1u7p h SER 116 N 1.08 0.00 -0.58 2.17 4.64 -1.79 -1.63 113.55 117.44 1u7p h SER 116 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 1u7p h SER 116 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1u7p h SER 116 CO -0.18 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.79 1u7p n GLN 117 N -3.22 3.55 -4.21 4.77 6.02 -0.66 -4.73 117.38 118.89 1u7p n GLN 117 Ca -0.02 -2.59 -0.31 0.00 -0.01 0.00 0.00 57.00 54.07 1u7p n GLN 117 Cb 0.12 -1.87 -0.09 0.00 1.02 0.00 0.00 30.24 29.43 1u7p n GLN 117 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1u7p s MET 118 N -1.88 2.59 0.07 -1.09 -1.94 -0.62 -0.57 119.30 115.86 1u7p s MET 118 Ca 0.46 -0.77 0.10 0.00 -1.71 0.00 0.00 55.69 53.76 1u7p s MET 118 Cb 0.30 -2.56 -0.03 0.00 2.01 0.00 0.00 34.83 34.55 1u7p s MET 118 CO 0.21 0.57 -0.26 0.54 -0.01 0.00 0.00 175.02 176.07 1u7p s VAL 119 N -1.21 2.23 -0.02 -6.03 0.11 -0.55 -1.73 120.40 113.20 1u7p s VAL 119 Ca 0.23 -1.47 0.01 0.00 -2.93 0.00 0.00 61.98 57.81 1u7p s VAL 119 Cb -0.12 -1.90 0.01 0.00 -1.53 0.00 0.00 36.38 32.85 1u7p s VAL 119 CO 0.15 0.29 -0.01 0.12 -3.33 0.00 0.00 175.10 172.32 1u7p s PHE 120 N -0.88 0.27 -0.16 1.54 5.36 0.93 -0.74 117.98 124.31 1u7p s PHE 120 Ca 0.13 -0.02 0.00 0.00 -0.96 0.00 0.00 56.93 56.08 1u7p s PHE 120 Cb -0.10 -0.29 -0.00 0.00 -0.34 0.00 0.00 43.02 42.29 1u7p s PHE 120 CO 0.03 -0.07 -0.15 -0.06 -1.46 0.00 0.00 175.22 173.51 1u7p s PHE 121 N 0.53 2.78 -0.04 10.12 0.40 -0.40 0.87 117.98 132.23 1u7p s PHE 121 Ca -0.05 -1.04 -0.18 0.00 -0.60 0.00 0.00 56.93 55.06 1u7p s PHE 121 Cb -0.08 -1.89 0.04 0.00 0.51 0.00 0.00 43.02 41.59 1u7p s PHE 121 CO -0.01 -0.47 0.40 0.34 0.70 0.00 0.00 175.22 176.18 1u7p s ASP 122 N 0.82 -0.32 0.29 1.36 -1.08 -1.06 -1.81 116.67 114.87 1u7p s ASP 122 Ca -0.05 0.33 0.22 0.00 -0.52 0.00 0.00 52.55 52.53 1u7p s ASP 122 Cb -0.15 0.44 0.12 0.00 -1.46 0.00 0.00 42.92 41.87 1u7p s ASP 122 CO -0.00 -0.44 1.25 -0.78 0.52 0.00 0.00 175.17 175.72 1u7p h ASP 123 N 3.92 0.00 -3.29 -0.34 3.58 -1.81 -2.27 116.42 116.21 1u7p h ASP 123 Ca -0.29 0.00 -0.59 0.00 0.42 0.00 0.00 57.03 56.57 1u7p h ASP 123 Cb 1.17 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 42.12 1u7p h ASP 123 CO 0.37 0.02 -0.31 -1.61 -2.88 0.00 0.00 179.24 174.84 1u7p s GLU 124 N -3.29 4.25 0.25 0.28 2.02 -1.26 -4.81 118.70 116.15 1u7p s GLU 124 Ca 0.02 0.13 -0.05 0.00 0.02 0.00 0.00 54.97 55.10 1u7p s GLU 124 Cb 0.08 -3.42 0.31 0.00 0.10 0.00 0.00 34.13 31.19 1u7p s GLU 124 CO 0.75 0.24 1.91 -0.91 0.02 0.00 0.00 175.26 177.26 1u7p h ASN 125 N 6.65 1.10 -0.36 -0.19 4.21 -1.97 -2.36 115.58 122.65 1u7p h ASN 125 Ca -0.41 -0.02 -0.06 0.00 1.21 0.00 0.00 56.30 57.02 1u7p h ASN 125 Cb 1.17 -0.26 -0.02 0.00 -1.12 0.00 0.00 38.32 38.09 1u7p h ASN 125 CO 0.75 0.76 0.02 -0.09 -1.29 0.00 0.00 177.43 177.59 1u7p h ARG 126 N 1.28 0.72 -0.41 0.81 9.65 -1.99 -0.60 114.38 123.84 1u7p h ARG 126 Ca 0.39 -0.18 -0.12 0.00 -1.10 0.00 0.00 59.98 58.98 1u7p h ARG 126 Cb -0.04 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 28.44 1u7p h ARG 126 CO -0.11 0.72 -0.19 -0.91 2.80 0.00 0.00 179.97 182.28 1u7p h ASN 127 N 0.68 0.88 -1.00 -3.80 2.35 -1.89 -0.44 115.58 112.36 1u7p h ASN 127 Ca 0.14 -0.40 0.01 0.00 -0.55 0.00 0.00 56.30 55.50 1u7p h ASN 127 Cb 0.40 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 38.47 1u7p h ASN 127 CO 0.01 1.09 0.67 0.40 -1.65 0.00 0.00 177.43 177.95 1u7p h ILE 128 N 0.67 1.24 0.06 2.81 1.08 -0.98 -1.19 117.51 121.21 1u7p h ILE 128 Ca 0.09 -0.46 -0.00 0.00 -0.39 0.00 0.00 64.86 64.10 1u7p h ILE 128 Cb 0.75 -0.22 0.00 0.00 -3.07 0.00 0.00 36.82 34.28 1u7p h ILE 128 CO 0.06 0.25 -0.03 0.40 -0.69 0.00 0.00 178.15 178.13 1u7p h ILE 129 N 1.35 1.20 0.45 -0.67 2.04 -0.92 -1.15 117.51 119.81 1u7p h ILE 129 Ca 0.37 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 1u7p h ILE 129 Cb -0.13 1.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1u7p h ILE 129 CO -0.09 0.24 -0.25 0.44 0.00 0.00 0.00 178.15 178.49 1u7p h ASP 130 N -0.53 -0.61 0.38 1.72 3.32 -0.92 -2.77 116.42 117.01 1u7p h ASP 130 Ca -0.01 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 1u7p h ASP 130 Cb 0.46 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 1u7p h ASP 130 CO 0.01 -0.40 -0.25 0.58 -1.72 0.00 0.00 179.24 177.46 1u7p h VAL 131 N -0.65 0.98 -0.57 -1.35 2.07 -1.34 -2.75 116.25 112.65 1u7p h VAL 131 Ca -0.06 -0.92 0.02 0.00 0.82 0.00 0.00 66.70 66.56 1u7p h VAL 131 Cb 0.52 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 1u7p h VAL 131 CO 0.07 0.25 0.38 1.23 0.02 0.00 0.00 177.57 179.52 1u7p h GLY 132 N 1.00 0.77 2.00 2.17 0.00 -0.92 -1.87 103.07 106.23 1u7p h GLY 132 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1u7p h GLY 132 CO 0.03 0.26 0.00 3.21 0.00 0.00 0.00 176.54 180.04 1u7p h ARG 133 N 0.71 0.00 0.00 4.80 3.08 -1.34 -1.51 114.38 120.12 1u7p h ARG 133 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.27 1u7p h ARG 133 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1u7p h ARG 133 CO -0.05 0.00 -0.28 1.28 -1.07 0.00 0.00 179.97 179.84 1u7p n LEU 134 N -2.85 0.47 0.00 3.04 4.77 -0.70 -4.92 117.00 116.80 1u7p n LEU 134 Ca -0.02 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 1u7p n LEU 134 Cb 0.07 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1u7p n LEU 134 CO 0.17 -0.02 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 1u7p n GLY 135 N 1.42 0.39 3.77 -0.72 0.00 -0.57 -4.50 105.19 104.98 1u7p n GLY 135 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1u7p n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u7p s VAL 136 N -2.00 2.86 -0.42 1.61 1.01 -1.23 -4.04 120.40 118.19 1u7p s VAL 136 Ca 0.00 0.69 -0.26 0.00 0.00 0.00 0.00 61.98 62.42 1u7p s VAL 136 Cb 0.00 -3.37 0.02 0.00 0.00 0.00 0.00 36.38 33.03 1u7p s VAL 136 CO 0.00 0.03 0.93 -0.89 0.00 0.00 0.00 175.10 175.17 1u7p s THR 137 N -1.42 4.51 -0.29 3.92 2.01 -0.70 -4.65 115.64 119.02 1u7p s THR 137 Ca 0.62 0.95 -0.10 0.00 0.31 0.00 0.00 61.69 63.47 1u7p s THR 137 Cb -0.33 -4.39 -0.03 0.00 0.01 0.00 0.00 72.50 67.76 1u7p s THR 137 CO 0.41 -0.71 0.15 0.00 -0.69 0.00 0.00 174.62 173.78 1u7p s ILE 139 N 1.67 5.21 -0.26 0.00 -1.09 0.25 -4.96 121.20 122.02 1u7p s ILE 139 Ca 0.06 -1.03 -0.29 0.00 -2.23 0.00 0.00 60.65 57.16 1u7p s ILE 139 Cb -0.16 -4.14 0.01 0.00 -1.58 0.00 0.00 42.46 36.59 1u7p s ILE 139 CO 0.07 -0.60 1.12 -2.28 -1.23 0.00 0.00 174.94 172.03 1u7p s HIS 140 N 1.70 3.11 0.19 3.97 5.65 -1.26 -2.57 115.29 126.09 1u7p s HIS 140 Ca 0.05 1.22 0.05 0.00 0.25 0.00 0.00 55.06 56.62 1u7p s HIS 140 Cb -0.24 -3.55 -0.03 0.00 -1.18 0.00 0.00 32.58 27.58 1u7p s HIS 140 CO 0.07 -0.94 0.24 0.96 -0.65 0.00 0.00 174.74 174.42 1u7p s ILE 141 N 3.57 4.91 -0.03 0.89 -4.36 -0.85 -4.98 121.20 120.34 1u7p s ILE 141 Ca 0.48 -1.00 0.02 0.00 -0.26 0.00 0.00 60.65 59.89 1u7p s ILE 141 Cb -0.15 -3.58 -0.03 0.00 1.25 0.00 0.00 42.46 39.95 1u7p s ILE 141 CO 0.13 -0.20 0.06 0.54 0.24 0.00 0.00 174.94 175.71 1u7p n ARG 142 N -0.82 1.97 -2.65 0.37 1.74 -1.26 -4.48 116.66 111.54 1u7p n ARG 142 Ca -0.08 -0.01 -0.00 0.00 -0.77 0.00 0.00 57.85 56.98 1u7p n ARG 142 Cb 0.56 -0.91 0.05 0.00 -1.02 0.00 0.00 32.46 31.13 1u7p n ARG 142 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1u7p n ASP 143 N -1.42 1.59 -0.53 0.55 -0.08 -1.26 -5.14 116.55 110.27 1u7p n ASP 143 Ca -0.00 -2.07 0.07 0.00 -1.51 0.00 0.00 54.79 51.28 1u7p n ASP 143 Cb 0.05 -0.45 -0.02 0.00 2.34 0.00 0.00 41.12 43.03 1u7p n ASP 143 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1u7p n GLY 144 N -0.47 -2.05 3.80 0.27 0.00 -1.24 -4.91 105.19 100.60 1u7p n GLY 144 Ca 0.08 -1.36 -0.33 0.00 0.00 0.00 0.00 46.02 44.40 1u7p n GLY 144 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1u7p s MET 145 N -2.24 3.61 0.17 1.61 -1.94 -0.65 -4.95 119.30 114.92 1u7p s MET 145 Ca 0.00 1.26 -0.24 0.00 -1.71 0.00 0.00 55.69 55.00 1u7p s MET 145 Cb 0.00 -2.07 0.06 0.00 2.01 0.00 0.00 34.83 34.82 1u7p s MET 145 CO 0.00 -0.58 0.84 -1.54 -0.01 0.00 0.00 175.02 173.73 1u7p s SER 146 N -2.40 -0.27 0.25 3.03 1.04 -1.26 -4.63 113.70 109.46 1u7p s SER 146 Ca 0.65 -0.37 -0.05 0.00 0.48 0.00 0.00 55.95 56.66 1u7p s SER 146 Cb -0.16 0.56 0.29 0.00 0.10 0.00 0.00 66.02 66.82 1u7p s SER 146 CO 0.28 -1.01 1.84 -0.07 0.98 0.00 0.00 173.24 175.26 1u7p h LEU 147 N 2.00 0.99 -0.35 2.42 3.38 -1.97 -0.55 115.31 121.23 1u7p h LEU 147 Ca -0.23 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 1u7p h LEU 147 Cb 1.25 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1u7p h LEU 147 CO 0.27 0.85 0.05 -0.61 0.09 0.00 0.00 178.44 179.09 1u7p h GLN 148 N 1.07 0.59 -0.59 1.13 4.15 -1.99 -0.93 115.11 118.54 1u7p h GLN 148 Ca 0.26 -0.16 -0.05 0.00 0.77 0.00 0.00 58.65 59.46 1u7p h GLN 148 Cb 0.14 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 1u7p h GLN 148 CO -0.03 0.67 0.16 1.15 -1.93 0.00 0.00 178.83 178.84 1u7p h THR 149 N 0.42 1.23 0.11 2.39 2.02 -1.85 -1.46 112.91 115.77 1u7p h THR 149 Ca 0.11 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.45 1u7p h THR 149 Cb 0.37 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1u7p h THR 149 CO 0.01 0.31 -0.05 0.25 0.37 0.00 0.00 175.52 176.41 1u7p h LEU 150 N 0.87 -0.12 -0.54 2.58 5.85 -0.89 -1.56 115.31 121.50 1u7p h LEU 150 Ca 0.19 -0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.78 1u7p h LEU 150 Cb 0.29 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.29 1u7p h LEU 150 CO -0.00 0.14 0.20 0.74 -0.34 0.00 0.00 178.44 179.18 1u7p h THR 151 N -0.39 0.81 -0.75 1.05 2.02 -0.99 -0.57 112.91 114.08 1u7p h THR 151 Ca -0.01 -0.13 -0.05 0.00 0.77 0.00 0.00 66.41 66.99 1u7p h THR 151 Cb 0.33 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 1u7p h THR 151 CO 0.02 0.07 0.28 1.56 0.37 0.00 0.00 175.52 177.82 1u7p h GLN 152 N 0.38 1.14 -0.54 6.66 4.20 -1.23 -1.34 115.11 124.38 1u7p h GLN 152 Ca 0.26 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 1u7p h GLN 152 Cb 0.29 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 27.87 1u7p h GLN 152 CO -0.27 0.94 0.34 0.78 -0.67 0.00 0.00 178.83 179.95 1u7p h GLY 153 N 1.13 0.78 1.48 3.46 0.00 -0.27 -0.38 103.07 109.27 1u7p h GLY 153 Ca 0.25 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 1u7p h GLY 153 CO -0.02 0.31 0.00 1.41 0.00 0.00 0.00 176.54 178.24 1u7p h LEU 154 N 0.73 0.61 -0.56 3.11 3.38 -0.80 -1.22 115.31 120.56 1u7p h LEU 154 Ca 0.20 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 1u7p h LEU 154 Cb -0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1u7p h LEU 154 CO -0.04 0.68 -0.01 -0.33 0.09 0.00 0.00 178.44 178.83 1u7p h GLU 155 N 0.61 0.99 -0.57 1.13 5.08 -0.68 -0.37 114.58 120.77 1u7p h GLU 155 Ca 0.13 -0.32 -0.07 0.00 -1.00 0.00 0.00 59.36 58.10 1u7p h GLU 155 Cb 0.38 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1u7p h GLU 155 CO 0.01 0.99 0.09 1.15 -1.00 0.00 0.00 179.01 180.26 1u7p h THR 156 N 0.87 1.24 -0.03 1.13 2.02 -0.58 -1.22 112.91 116.36 1u7p h THR 156 Ca 0.16 -0.94 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 1u7p h THR 156 Cb 0.55 0.71 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1u7p h THR 156 CO 0.03 0.35 -0.00 0.15 0.37 0.00 0.00 175.52 176.41 1u7p h PHE 157 N 0.87 0.06 -0.68 3.16 3.57 -0.99 -2.29 116.94 120.64 1u7p h PHE 157 Ca 0.18 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.77 1u7p h PHE 157 Cb 0.38 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.03 1u7p h PHE 157 CO 0.02 0.37 0.30 0.00 -2.23 0.00 0.00 178.31 176.78 1u7p h ALA 158 N 0.68 0.92 -0.43 2.41 0.00 -0.84 -1.39 119.26 120.61 1u7p h ALA 158 Ca 0.01 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1u7p h ALA 158 Cb 0.35 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1u7p h ALA 158 CO 0.00 -0.12 0.23 0.87 0.00 0.00 0.00 179.25 180.23 1u7p h LYS 159 N 0.51 0.60 -0.93 0.00 1.57 -1.15 -0.25 116.57 116.92 1u7p h LYS 159 Ca 0.34 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 59.05 1u7p h LYS 159 Cb 0.40 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.55 1u7p h LYS 159 CO -0.30 0.49 0.61 0.00 -0.57 0.00 0.00 179.45 179.68 1u7p h ALA 160 N 1.08 1.18 -0.00 3.86 0.00 -0.80 0.26 119.26 124.83 1u7p h ALA 160 Ca 0.15 -0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1u7p h ALA 160 Cb 0.07 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1u7p h ALA 160 CO -0.02 0.58 -0.67 0.37 0.00 0.00 0.00 179.25 179.51 1u7p h GLN 161 N 1.26 0.01 0.05 0.00 4.15 -1.00 -3.11 115.11 116.48 1u7p h GLN 161 Ca 0.34 -0.01 -0.23 0.00 0.77 0.00 0.00 58.65 59.52 1u7p h GLN 161 Cb -0.13 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 1u7p h GLN 161 CO -0.07 0.68 -1.08 0.00 -1.93 0.00 0.00 178.83 176.43 1u7p h ALA 162 N 1.32 0.28 0.00 3.38 0.00 -0.51 -3.51 119.26 120.21 1u7p h ALA 162 Ca -0.01 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.04 1u7p h ALA 162 Cb 1.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1u7p h ALA 162 CO 0.09 1.07 0.00 0.41 0.00 0.00 0.00 179.25 180.82