#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ore n ASP 3 N 0.00 0.00 -4.47 0.00 4.64 -1.26 -5.04 116.55 110.42 1ore n ASP 3 Ca 0.00 0.00 -0.31 0.00 -1.38 0.00 0.00 54.79 53.10 1ore n ASP 3 Cb 0.00 0.00 0.17 0.00 -1.04 0.00 0.00 41.12 40.25 1ore n ASP 3 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 1ore n SER 4 N 0.00 -1.44 -0.15 1.67 3.41 -1.26 -4.86 113.62 110.99 1ore n SER 4 Ca 0.00 0.18 -0.10 0.00 -0.26 0.00 0.00 58.87 58.69 1ore n SER 4 Cb 0.00 -1.24 -0.01 0.00 -0.26 0.00 0.00 64.21 62.71 1ore n SER 4 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1ore h GLU 5 N -1.96 0.76 -0.78 4.33 4.39 -2.00 -2.87 114.58 116.45 1ore h GLU 5 Ca -0.49 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 58.98 1ore h GLU 5 Cb 1.30 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.84 1ore h GLU 5 CO 0.39 0.80 0.42 1.25 -1.16 0.00 0.00 179.01 180.72 1ore h LEU 6 N 0.61 0.98 -0.80 1.33 5.85 -1.91 -2.34 115.31 119.02 1ore h LEU 6 Ca 0.13 -0.10 0.14 0.00 0.84 0.00 0.00 57.88 58.89 1ore h LEU 6 Cb 0.44 -0.25 -0.09 0.00 0.37 0.00 0.00 40.66 41.12 1ore h LEU 6 CO 0.02 0.80 0.37 -0.61 -0.34 0.00 0.00 178.44 178.67 1ore h GLN 7 N 1.08 0.52 0.00 1.25 5.75 -1.90 -0.27 115.11 121.54 1ore h GLN 7 Ca 0.27 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.72 1ore h GLN 7 Cb 0.04 -0.12 -0.00 0.00 1.07 0.00 0.00 27.48 28.47 1ore h GLN 7 CO -0.04 0.34 -0.09 -0.07 -2.65 0.00 0.00 178.83 176.32 1ore h LEU 8 N 0.53 0.00 0.03 -2.39 3.38 -1.20 -2.37 115.31 113.30 1ore h LEU 8 Ca 0.43 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 58.15 1ore h LEU 8 Cb 0.63 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 1ore h LEU 8 CO -0.38 0.09 -1.39 0.58 0.09 0.00 0.00 178.44 177.43 1ore h VAL 9 N 0.00 0.89 -0.86 1.22 2.07 -1.31 -3.38 116.25 114.88 1ore h VAL 9 Ca -0.00 -2.23 0.21 0.00 0.82 0.00 0.00 66.70 65.50 1ore h VAL 9 Cb 0.33 2.34 -0.15 0.00 -1.52 0.00 0.00 31.29 32.29 1ore h VAL 9 CO 0.01 0.46 0.04 -0.08 0.02 0.00 0.00 177.57 178.02 1ore h GLU 10 N -0.74 0.09 -0.25 1.57 4.57 -0.91 -0.83 114.58 118.08 1ore h GLU 10 Ca -0.35 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.82 1ore h GLU 10 Cb 1.48 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 30.05 1ore h GLU 10 CO -0.13 0.06 0.00 0.00 -1.18 0.00 0.00 179.01 177.76 1ore n GLN 11 N -5.38 1.54 -0.45 1.92 10.64 -0.91 -3.67 117.38 121.07 1ore n GLN 11 Ca 0.18 -0.79 0.07 0.00 -1.83 0.00 0.00 57.00 54.63 1ore n GLN 11 Cb 0.59 -1.20 0.14 0.00 -0.86 0.00 0.00 30.24 28.91 1ore n GLN 11 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 1ore n ARG 12 N 0.14 1.14 -4.08 2.61 5.12 -0.32 -4.98 116.66 116.29 1ore n ARG 12 Ca 0.07 -2.63 -0.35 0.00 -1.93 0.00 0.00 57.85 53.01 1ore n ARG 12 Cb 0.20 -1.30 -0.08 0.00 -1.16 0.00 0.00 32.46 30.12 1ore n ARG 12 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1ore s ILE 13 N -2.43 4.88 0.19 0.55 -1.09 -1.24 -3.14 121.20 118.92 1ore s ILE 13 Ca 0.31 -0.02 0.08 0.00 -2.23 0.00 0.00 60.65 58.79 1ore s ILE 13 Cb 0.29 -3.13 -0.04 0.00 -1.58 0.00 0.00 42.46 38.00 1ore s ILE 13 CO -0.03 0.56 -0.16 0.00 -1.23 0.00 0.00 174.94 174.08 1ore s ARG 14 N -0.48 1.31 -0.02 2.79 1.70 -0.93 -4.97 118.95 118.34 1ore s ARG 14 Ca 0.10 -1.51 0.05 0.00 -0.47 0.00 0.00 55.73 53.91 1ore s ARG 14 Cb -0.12 -1.22 -0.01 0.00 -0.57 0.00 0.00 34.95 33.03 1ore s ARG 14 CO 0.02 0.22 -0.18 -1.12 -1.08 0.00 0.00 175.30 173.16 1ore s SER 15 N -3.03 2.16 -0.15 -2.89 0.01 -1.26 -0.19 113.70 108.36 1ore s SER 15 Ca 0.19 -0.34 -0.01 0.00 1.31 0.00 0.00 55.95 57.11 1ore s SER 15 Cb -0.03 -0.32 0.04 0.00 0.21 0.00 0.00 66.02 65.92 1ore s SER 15 CO 0.07 0.21 -0.05 -0.36 0.41 0.00 0.00 173.24 173.52 1ore s PHE 16 N -0.33 1.57 0.58 2.43 0.08 -0.37 -4.97 117.98 116.97 1ore s PHE 16 Ca 0.05 -0.93 -0.14 0.00 0.12 0.00 0.00 56.93 56.03 1ore s PHE 16 Cb -0.08 -1.26 -0.05 0.00 -0.57 0.00 0.00 43.02 41.06 1ore s PHE 16 CO -0.00 -0.57 1.02 -1.25 -0.10 0.00 0.00 175.22 174.32 1ore s PRO 17 N 1.68 3.62 -1.48 0.24 0.04 -1.26 -0.99 135.00 136.84 1ore s PRO 17 Ca 0.02 0.94 -0.07 0.00 0.04 0.00 0.00 61.00 61.93 1ore s PRO 17 Cb -0.14 -2.08 0.02 0.00 0.04 0.00 0.00 34.50 32.34 1ore s PRO 17 CO -0.08 -0.55 0.66 -0.25 0.04 0.00 0.00 177.00 176.82 1ore n ASP 18 N -2.19 -5.58 -3.86 6.66 8.00 0.03 -4.88 116.55 114.75 1ore n ASP 18 Ca 0.07 -0.36 -0.17 0.00 0.71 0.00 0.00 54.79 55.04 1ore n ASP 18 Cb 0.54 -4.50 -0.16 0.00 -0.02 0.00 0.00 41.12 36.97 1ore n ASP 18 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1ore s PHE 19 N -3.15 0.39 -1.19 1.24 2.19 -0.84 -3.89 117.98 112.73 1ore s PHE 19 Ca 0.37 -0.05 0.29 0.00 0.33 0.00 0.00 56.93 57.88 1ore s PHE 19 Cb -0.17 -0.41 1.32 0.00 -1.31 0.00 0.00 43.02 42.45 1ore s PHE 19 CO 0.46 -0.11 1.96 -0.35 1.83 0.00 0.00 175.22 179.01 1ore n PRO 20 N 3.87 0.19 -4.22 10.12 -0.04 -1.26 -3.42 135.00 140.24 1ore n PRO 20 Ca -0.24 -0.01 -0.13 0.00 -0.04 0.00 0.00 63.50 63.09 1ore n PRO 20 Cb 0.52 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.38 1ore n PRO 20 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1ore s THR 21 N -2.81 0.74 0.50 0.52 -4.23 -1.25 -5.11 115.64 103.99 1ore s THR 21 Ca 0.20 -1.98 -0.22 0.00 -1.18 0.00 0.00 61.69 58.51 1ore s THR 21 Cb 0.19 -1.96 -0.08 0.00 1.34 0.00 0.00 72.50 72.00 1ore s THR 21 CO 0.51 -0.63 1.12 -2.65 -0.54 0.00 0.00 174.62 172.44 1ore n PRO 22 N -0.18 1.42 -0.11 3.99 -0.02 -1.26 -2.53 135.00 136.30 1ore n PRO 22 Ca -0.09 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 1ore n PRO 22 Cb 0.62 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 1ore n PRO 22 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ore n GLY 23 N 1.04 2.40 3.67 -1.23 0.00 -1.26 -4.94 105.19 104.87 1ore n GLY 23 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 1ore n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ore s VAL 24 N -2.85 5.28 -0.37 1.61 1.01 -1.05 -4.87 120.40 119.16 1ore s VAL 24 Ca 0.00 0.15 -0.19 0.00 0.00 0.00 0.00 61.98 61.94 1ore s VAL 24 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1ore s VAL 24 CO 0.00 0.38 0.54 -0.69 0.00 0.00 0.00 175.10 175.34 1ore s VAL 25 N 0.81 4.97 -0.05 2.92 1.01 -1.26 -0.79 120.40 128.02 1ore s VAL 25 Ca 0.07 0.28 -0.30 0.00 0.00 0.00 0.00 61.98 62.04 1ore s VAL 25 Cb -0.13 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.21 1ore s VAL 25 CO 0.02 -0.30 1.01 0.12 0.00 0.00 0.00 175.10 175.95 1ore s PHE 26 N 2.48 3.56 -0.35 5.22 5.36 -0.16 -4.89 117.98 129.20 1ore s PHE 26 Ca 0.20 1.61 -0.12 0.00 -0.96 0.00 0.00 56.93 57.66 1ore s PHE 26 Cb -0.15 -3.18 0.00 0.00 -0.34 0.00 0.00 43.02 39.35 1ore s PHE 26 CO 0.14 -0.22 0.22 1.03 -1.46 0.00 0.00 175.22 174.93 1ore s ARG 27 N 1.54 3.24 -0.34 10.12 1.81 -1.26 -1.23 118.95 132.82 1ore s ARG 27 Ca 0.51 -0.81 -0.15 0.00 -1.72 0.00 0.00 55.73 53.56 1ore s ARG 27 Cb -0.20 -3.77 -0.01 0.00 -0.45 0.00 0.00 34.95 30.52 1ore s ARG 27 CO 0.23 -0.54 0.36 0.34 -0.68 0.00 0.00 175.30 175.01 1ore s ASP 28 N 1.66 6.17 0.00 0.23 2.15 0.73 -4.97 116.67 122.65 1ore s ASP 28 Ca 0.05 -0.24 0.15 0.00 0.43 0.00 0.00 52.55 52.94 1ore s ASP 28 Cb -0.18 -2.19 0.81 0.00 -0.30 0.00 0.00 42.92 41.06 1ore s ASP 28 CO 0.09 -0.34 1.53 2.30 -0.17 0.00 0.00 175.17 178.59 1ore n ILE 29 N 5.24 0.04 -0.33 4.11 -6.64 -1.26 -2.19 119.36 118.33 1ore n ILE 29 Ca -0.09 -0.06 0.06 0.00 -1.77 0.00 0.00 62.75 60.89 1ore n ILE 29 Cb 0.49 -0.13 0.25 0.00 -1.44 0.00 0.00 39.64 38.82 1ore n ILE 29 CO 0.00 0.00 0.00 0.77 -1.77 0.00 0.00 176.55 175.55 1ore h SER 30 N 0.36 0.90 0.10 7.28 4.64 -1.93 -0.91 113.55 123.99 1ore h SER 30 Ca 0.00 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1ore h SER 30 Cb 0.08 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.01 1ore h SER 30 CO 0.00 0.52 -0.06 -0.65 -0.87 0.00 0.00 176.83 175.77 1ore h PRO 31 N 0.99 0.00 -0.29 4.77 0.11 -1.78 -1.08 132.00 134.72 1ore h PRO 31 Ca 0.44 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.52 1ore h PRO 31 Cb 0.38 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 1ore h PRO 31 CO -0.20 0.06 0.06 0.28 -0.21 0.00 0.00 178.00 178.00 1ore h VAL 32 N 0.00 1.22 -0.39 3.15 2.07 -1.11 -2.43 116.25 118.76 1ore h VAL 32 Ca -0.00 -0.74 -0.07 0.00 0.82 0.00 0.00 66.70 66.72 1ore h VAL 32 Cb 0.13 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1ore h VAL 32 CO 0.01 0.24 -0.04 -0.07 0.02 0.00 0.00 177.57 177.73 1ore h LEU 33 N 0.30 0.61 -0.49 2.57 -0.00 -1.25 -2.79 115.31 114.26 1ore h LEU 33 Ca 0.09 -0.14 -0.09 0.00 -0.00 0.00 0.00 57.88 57.74 1ore h LEU 33 Cb 0.30 -0.16 -0.01 0.00 -0.00 0.00 0.00 40.66 40.79 1ore h LEU 33 CO 0.00 0.70 -0.43 0.50 -0.00 0.00 0.00 178.44 179.22 1ore h LYS 34 N 0.60 0.00 -4.54 1.13 3.64 -1.02 -3.41 116.57 112.97 1ore h LYS 34 Ca 0.12 0.00 -0.71 0.00 -1.27 0.00 0.00 60.65 58.79 1ore h LYS 34 Cb 0.43 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 31.99 1ore h LYS 34 CO 0.02 0.43 -0.50 0.34 -2.27 0.00 0.00 179.45 177.46 1ore s ASP 35 N -6.41 5.65 0.47 4.20 -1.08 -0.93 -4.97 116.67 113.59 1ore s ASP 35 Ca 0.02 -1.23 0.19 0.00 -0.52 0.00 0.00 52.55 51.00 1ore s ASP 35 Cb 0.09 -1.99 1.16 0.00 -1.46 0.00 0.00 42.92 40.72 1ore s ASP 35 CO 0.71 -0.45 2.02 1.55 0.52 0.00 0.00 175.17 179.52 1ore h PRO 36 N 8.40 0.00 -0.36 4.34 0.13 -1.81 -0.56 132.00 142.15 1ore h PRO 36 Ca -0.24 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.79 1ore h PRO 36 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 1ore h PRO 36 CO 0.70 0.17 -0.19 0.00 -0.23 0.00 0.00 178.00 178.45 1ore h ALA 37 N 1.83 1.01 -0.11 -0.56 0.00 -1.93 -2.30 119.26 117.20 1ore h ALA 37 Ca -0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 1ore h ALA 37 Cb 0.33 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1ore h ALA 37 CO 0.02 0.59 -0.16 1.03 0.00 0.00 0.00 179.25 180.73 1ore h SER 38 N 0.60 0.33 -0.30 0.00 0.87 -1.37 -1.36 113.55 112.32 1ore h SER 38 Ca 0.09 -0.53 0.04 0.00 -1.23 0.00 0.00 61.79 60.16 1ore h SER 38 Cb 0.65 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.48 1ore h SER 38 CO 0.05 0.79 0.09 0.15 -0.53 0.00 0.00 176.83 177.37 1ore h PHE 39 N -0.13 0.15 -0.75 2.24 3.57 -1.10 -0.58 116.94 120.34 1ore h PHE 39 Ca 0.01 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 1ore h PHE 39 Cb 0.72 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.40 1ore h PHE 39 CO 0.10 0.06 0.27 -0.09 -2.23 0.00 0.00 178.31 176.42 1ore h ARG 40 N 0.21 1.15 -0.57 1.11 2.43 -1.39 -1.74 114.38 115.59 1ore h ARG 40 Ca 0.13 -0.23 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1ore h ARG 40 Cb 0.12 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.47 1ore h ARG 40 CO -0.15 0.96 0.28 0.00 -1.51 0.00 0.00 179.97 179.54 1ore h ALA 41 N 1.14 0.73 -0.30 2.80 0.00 -0.75 -1.13 119.26 121.75 1ore h ALA 41 Ca 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1ore h ALA 41 Cb 0.26 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1ore h ALA 41 CO -0.01 0.29 0.16 0.00 0.00 0.00 0.00 179.25 179.69 1ore h ALA 42 N 1.11 0.38 -0.40 0.00 0.00 -0.64 -1.32 119.26 118.40 1ore h ALA 42 Ca 0.20 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1ore h ALA 42 Cb 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1ore h ALA 42 CO -0.03 -0.09 0.15 0.82 0.00 0.00 0.00 179.25 180.11 1ore h ILE 43 N 0.37 1.20 -0.92 0.00 1.08 -1.24 -2.10 117.51 115.91 1ore h ILE 43 Ca 0.11 -0.63 0.00 0.00 -0.39 0.00 0.00 64.86 63.94 1ore h ILE 43 Cb 0.06 0.87 -0.04 0.00 -3.07 0.00 0.00 36.82 34.64 1ore h ILE 43 CO -0.02 0.23 0.57 1.23 -0.69 0.00 0.00 178.15 179.47 1ore h GLY 44 N 0.50 1.32 0.88 5.37 0.00 -1.02 -0.05 103.07 110.07 1ore h GLY 44 Ca 0.13 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 46.87 1ore h GLY 44 CO -0.01 0.51 -0.05 1.41 0.00 0.00 0.00 176.54 178.41 1ore h LEU 45 N 1.26 0.55 -0.40 3.11 3.38 -1.12 -0.68 115.31 121.41 1ore h LEU 45 Ca 0.33 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1ore h LEU 45 Cb -0.09 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1ore h LEU 45 CO -0.07 0.77 0.08 -0.07 0.09 0.00 0.00 178.44 179.24 1ore h LEU 46 N 0.32 0.63 -0.50 1.67 3.38 -1.12 -2.10 115.31 117.59 1ore h LEU 46 Ca 0.08 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1ore h LEU 46 Cb 0.52 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1ore h LEU 46 CO 0.02 0.72 0.30 0.00 0.09 0.00 0.00 178.44 179.57 1ore h ALA 47 N 0.93 0.63 -0.53 1.53 0.00 -0.97 -0.94 119.26 119.91 1ore h ALA 47 Ca 0.12 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1ore h ALA 47 Cb 0.35 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1ore h ALA 47 CO 0.01 0.12 -0.13 0.00 0.00 0.00 0.00 179.25 179.24 1ore h ARG 48 N 0.66 1.03 -0.02 0.00 3.08 -1.07 -0.45 114.38 117.60 1ore h ARG 48 Ca 0.18 -0.40 0.01 0.00 0.07 0.00 0.00 59.98 59.85 1ore h ARG 48 Cb -0.01 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1ore h ARG 48 CO -0.03 1.08 -0.05 1.25 -1.07 0.00 0.00 179.97 181.15 1ore h HIS 49 N 0.91 -0.13 -0.79 3.04 2.76 -1.21 -1.48 115.15 118.24 1ore h HIS 49 Ca 0.13 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.29 1ore h HIS 49 Cb 0.71 0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.69 1ore h HIS 49 CO 0.05 -0.09 0.39 -0.07 -1.30 0.00 0.00 177.93 176.91 1ore h LEU 50 N -0.09 1.02 -0.34 0.26 3.38 -0.98 -1.04 115.31 117.53 1ore h LEU 50 Ca 0.03 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 1ore h LEU 50 Cb 0.13 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1ore h LEU 50 CO -0.08 0.85 -0.30 0.50 0.09 0.00 0.00 178.44 179.51 1ore h LYS 51 N 1.12 0.80 -0.01 1.13 3.64 -1.03 -0.21 116.57 122.01 1ore h LYS 51 Ca 0.28 -0.41 -0.07 0.00 -1.27 0.00 0.00 60.65 59.17 1ore h LYS 51 Cb 0.09 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1ore h LYS 51 CO -0.04 1.04 -0.35 0.00 -2.27 0.00 0.00 179.45 177.83 1ore h ALA 52 N 0.74 1.41 0.09 5.00 0.00 -1.05 -2.05 119.26 123.41 1ore h ALA 52 Ca 0.06 -0.32 -0.33 0.00 0.00 0.00 0.00 54.91 54.32 1ore h ALA 52 Cb 0.87 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1ore h ALA 52 CO 0.08 0.45 -1.77 2.41 0.00 0.00 0.00 179.25 180.41 1ore n THR 53 N -4.12 1.71 0.41 0.00 -1.04 -0.41 -4.55 114.28 106.29 1ore n THR 53 Ca -0.02 -0.47 0.05 0.00 -2.04 0.00 0.00 64.05 61.57 1ore n THR 53 Cb 0.39 -1.83 0.02 0.00 -1.82 0.00 0.00 70.33 67.08 1ore n THR 53 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1ore n HIS 54 N -3.78 0.00 -3.07 -1.42 8.25 -0.11 -5.09 115.22 110.00 1ore n HIS 54 Ca -0.32 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.14 1ore n HIS 54 Cb 0.94 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.05 1ore n HIS 54 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ore n GLY 55 N 0.73 2.76 1.90 -1.41 0.00 -0.77 -1.88 105.19 106.53 1ore n GLY 55 Ca 0.05 -0.36 -0.06 0.00 0.00 0.00 0.00 46.02 45.64 1ore n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ore n GLY 56 N 0.00 3.45 0.18 -0.02 0.00 -1.26 -4.54 105.19 103.00 1ore n GLY 56 Ca 0.00 -0.89 0.14 0.00 0.00 0.00 0.00 46.02 45.27 1ore n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ore n ARG 57 N -0.12 0.83 -3.05 1.61 1.74 -0.79 -4.83 116.66 112.05 1ore n ARG 57 Ca 0.37 -0.36 -0.40 0.00 -0.77 0.00 0.00 57.85 56.70 1ore n ARG 57 Cb 1.30 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 31.20 1ore n ARG 57 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1ore s ILE 58 N -2.42 5.03 -0.16 0.55 1.01 -1.26 -4.69 121.20 119.26 1ore s ILE 58 Ca 0.29 1.40 -0.13 0.00 0.00 0.00 0.00 60.65 62.22 1ore s ILE 58 Cb 0.20 -4.02 -0.23 0.00 0.01 0.00 0.00 42.46 38.42 1ore s ILE 58 CO 0.47 0.20 0.27 0.47 0.00 0.00 0.00 174.94 176.35 1ore n ASP 59 N 4.17 2.01 -3.98 3.58 8.00 0.22 -5.01 116.55 125.55 1ore n ASP 59 Ca -0.01 0.29 -0.09 0.00 0.71 0.00 0.00 54.79 55.70 1ore n ASP 59 Cb 0.51 -0.90 -0.10 0.00 -0.02 0.00 0.00 41.12 40.60 1ore n ASP 59 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1ore s TYR 60 N -2.48 0.28 0.04 1.24 1.51 -0.99 -4.36 117.35 112.59 1ore s TYR 60 Ca -0.26 -0.58 -0.16 0.00 -1.01 0.00 0.00 57.07 55.07 1ore s TYR 60 Cb 0.07 -0.20 -0.06 0.00 -0.11 0.00 0.00 41.96 41.65 1ore s TYR 60 CO 0.69 -0.26 0.46 0.42 -1.11 0.00 0.00 175.55 175.75 1ore s ILE 61 N -2.03 4.94 -0.24 2.71 -1.09 -0.92 -1.92 121.20 122.65 1ore s ILE 61 Ca -0.10 0.92 -0.04 0.00 -2.23 0.00 0.00 60.65 59.19 1ore s ILE 61 Cb -0.05 -3.76 0.00 0.00 -1.58 0.00 0.00 42.46 37.07 1ore s ILE 61 CO -0.03 0.53 -0.02 0.00 -1.23 0.00 0.00 174.94 174.20 1ore s ALA 62 N -1.14 2.86 -0.12 9.38 0.00 0.22 -0.62 121.76 132.34 1ore s ALA 62 Ca 0.27 -1.27 -0.11 0.00 0.00 0.00 0.00 51.96 50.84 1ore s ALA 62 Cb -0.17 -1.80 -0.05 0.00 0.00 0.00 0.00 23.12 21.10 1ore s ALA 62 CO 0.16 -0.60 0.24 0.20 0.00 0.00 0.00 175.76 175.76 1ore s GLY 63 N 1.46 2.22 -0.07 0.00 0.00 -0.12 -0.94 107.32 109.86 1ore s GLY 63 Ca 0.04 -0.51 -0.19 0.00 0.00 0.00 0.00 44.72 44.06 1ore s GLY 63 CO -0.02 0.03 0.53 1.08 0.00 0.00 0.00 173.10 174.72 1ore s LEU 64 N -0.41 4.33 0.20 0.66 1.43 -0.89 -1.97 118.68 122.03 1ore s LEU 64 Ca 0.16 0.96 -0.30 0.00 -1.03 0.00 0.00 54.13 53.92 1ore s LEU 64 Cb -0.13 -2.79 -0.09 0.00 0.03 0.00 0.00 46.19 43.21 1ore s LEU 64 CO 0.05 0.04 1.29 -0.62 0.23 0.00 0.00 176.35 177.33 1ore s ASP 65 N 0.30 6.93 -0.09 2.29 3.68 -0.65 -0.46 116.67 128.67 1ore s ASP 65 Ca 0.29 2.38 0.13 0.00 2.13 0.00 0.00 52.55 57.47 1ore s ASP 65 Cb -0.16 -2.61 -0.19 0.00 -1.45 0.00 0.00 42.92 38.51 1ore s ASP 65 CO 0.13 -0.50 0.15 -1.54 0.13 0.00 0.00 175.17 173.55 1ore n SER 66 N 2.54 1.69 0.13 -0.34 3.41 -1.26 -4.72 113.62 115.07 1ore n SER 66 Ca 0.06 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.67 1ore n SER 66 Cb 0.43 1.14 0.10 0.00 -0.26 0.00 0.00 64.21 65.63 1ore n SER 66 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1ore h ARG 67 N 0.00 0.00 0.00 4.33 3.08 -1.99 -2.38 114.38 117.42 1ore h ARG 67 Ca -0.23 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.81 1ore h ARG 67 Cb 1.39 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.44 1ore h ARG 67 CO 0.01 0.60 -0.04 0.78 -1.07 0.00 0.00 179.97 180.25 1ore h GLY 68 N 2.73 0.00 2.00 0.04 0.00 -1.02 -2.41 103.07 104.41 1ore h GLY 68 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1ore h GLY 68 CO 0.08 0.00 -0.08 0.74 0.00 0.00 0.00 176.54 177.28 1ore h PHE 69 N 0.00 0.00 0.00 5.60 -1.00 -0.86 -1.06 116.94 119.63 1ore h PHE 69 Ca -0.00 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.73 1ore h PHE 69 Cb 0.08 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.63 1ore h PHE 69 CO 0.00 0.08 -0.24 -0.07 -1.61 0.00 0.00 178.31 176.47 1ore h LEU 70 N 0.00 0.00 0.00 1.54 3.38 -1.51 -3.36 115.31 115.36 1ore h LEU 70 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1ore h LEU 70 Cb 0.18 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1ore h LEU 70 CO 0.01 0.24 -1.56 0.49 0.09 0.00 0.00 178.44 177.70 1ore n PHE 71 N -3.61 0.00 -0.03 1.13 3.01 -0.92 -4.73 117.46 112.30 1ore n PHE 71 Ca -0.01 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.35 1ore n PHE 71 Cb 0.37 -0.39 -0.03 0.00 -0.01 0.00 0.00 39.48 39.42 1ore n PHE 71 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1ore h GLY 72 N 1.09 -0.39 0.76 1.37 0.00 -1.36 -0.90 103.07 103.65 1ore h GLY 72 Ca -0.22 0.40 0.04 0.00 0.00 0.00 0.00 47.33 47.55 1ore h GLY 72 CO -0.02 -0.21 0.35 -2.55 0.00 0.00 0.00 176.54 174.11 1ore h PRO 73 N -0.35 0.64 -0.21 4.80 0.11 -1.85 0.18 132.00 135.32 1ore h PRO 73 Ca 0.12 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 66.03 1ore h PRO 73 Cb 0.54 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 1ore h PRO 73 CO -0.41 0.43 -0.53 0.77 -0.21 0.00 0.00 178.00 178.04 1ore h SER 74 N 0.66 0.69 -0.09 -2.05 0.02 -1.80 -0.50 113.55 110.48 1ore h SER 74 Ca 0.26 -0.36 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 1ore h SER 74 Cb 0.12 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 1ore h SER 74 CO -0.15 1.09 0.02 0.25 -1.14 0.00 0.00 176.83 176.89 1ore h LEU 75 N 0.48 0.15 -0.25 5.07 5.85 -0.83 -0.46 115.31 125.32 1ore h LEU 75 Ca 0.01 -0.26 0.06 0.00 0.84 0.00 0.00 57.88 58.54 1ore h LEU 75 Cb 1.09 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 42.01 1ore h LEU 75 CO 0.10 0.37 -0.16 0.00 -0.34 0.00 0.00 178.44 178.41 1ore h ALA 76 N 0.78 0.02 -0.84 1.25 0.00 -0.52 -2.40 119.26 117.55 1ore h ALA 76 Ca 0.03 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1ore h ALA 76 Cb 0.28 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 1ore h ALA 76 CO 0.00 -0.57 0.52 1.96 0.00 0.00 0.00 179.25 181.16 1ore h GLN 77 N -0.14 0.93 -0.20 0.00 1.08 -0.94 0.10 115.11 115.94 1ore h GLN 77 Ca 0.14 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.25 1ore h GLN 77 Cb 0.35 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 1ore h GLN 77 CO -0.34 0.61 -0.01 1.49 -0.95 0.00 0.00 178.83 179.63 1ore h GLU 78 N 0.96 0.30 -0.15 1.46 4.57 -0.69 -1.87 114.58 119.16 1ore h GLU 78 Ca 0.37 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.50 1ore h GLU 78 Cb 0.16 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1ore h GLU 78 CO -0.17 0.34 0.00 1.28 -1.18 0.00 0.00 179.01 179.28 1ore n LEU 79 N -4.36 2.01 -0.69 1.64 4.77 -0.55 -4.94 117.00 114.88 1ore n LEU 79 Ca -0.00 -0.79 -0.08 0.00 -0.03 0.00 0.00 56.01 55.11 1ore n LEU 79 Cb 0.20 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1ore n LEU 79 CO 0.37 0.39 -0.08 0.61 -1.33 0.00 0.00 177.39 177.35 1ore n GLY 80 N 1.22 0.68 3.55 -0.72 0.00 -0.41 -5.03 105.19 104.48 1ore n GLY 80 Ca 0.17 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 1ore n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ore s LEU 81 N -1.91 2.82 0.67 0.99 1.43 0.21 -4.98 118.68 117.91 1ore s LEU 81 Ca 0.00 -0.96 -0.11 0.00 -1.03 0.00 0.00 54.13 52.03 1ore s LEU 81 Cb 0.00 -1.28 -0.01 0.00 0.03 0.00 0.00 46.19 44.94 1ore s LEU 81 CO 0.00 -0.05 1.07 -0.83 0.23 0.00 0.00 176.35 176.76 1ore s GLY 82 N -3.60 1.64 -0.08 -3.19 0.00 -1.26 -3.65 107.32 97.18 1ore s GLY 82 Ca 0.32 -0.22 0.05 0.00 0.00 0.00 0.00 44.72 44.86 1ore s GLY 82 CO 0.17 0.10 -0.24 0.00 0.00 0.00 0.00 173.10 173.14 1ore s VAL 84 N 0.11 4.26 -0.08 0.00 -7.23 0.21 -4.99 120.40 112.68 1ore s VAL 84 Ca -0.12 -1.50 0.02 0.00 -1.81 0.00 0.00 61.98 58.58 1ore s VAL 84 Cb -0.16 -3.30 -0.02 0.00 0.56 0.00 0.00 36.38 33.46 1ore s VAL 84 CO 0.06 -0.35 -0.15 -0.76 -0.31 0.00 0.00 175.10 173.59 1ore s LEU 85 N -3.81 2.65 -0.17 1.32 1.43 -1.26 -0.95 118.68 117.89 1ore s LEU 85 Ca 0.33 -0.29 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 1ore s LEU 85 Cb -0.08 -1.55 0.01 0.00 0.03 0.00 0.00 46.19 44.60 1ore s LEU 85 CO 0.24 0.26 -0.18 -0.63 0.23 0.00 0.00 176.35 176.27 1ore s ILE 86 N -0.24 2.28 0.25 -0.59 1.01 -0.83 -4.65 121.20 118.43 1ore s ILE 86 Ca 0.01 -0.89 0.11 0.00 0.00 0.00 0.00 60.65 59.88 1ore s ILE 86 Cb -0.13 -1.95 -0.05 0.00 0.01 0.00 0.00 42.46 40.34 1ore s ILE 86 CO 0.03 0.53 -0.14 -0.13 0.00 0.00 0.00 174.94 175.22 1ore s ARG 87 N 1.06 1.85 0.99 2.79 0.52 -0.07 -1.64 118.95 124.46 1ore s ARG 87 Ca -0.01 -1.58 -0.12 0.00 -0.52 0.00 0.00 55.73 53.50 1ore s ARG 87 Cb -0.14 -1.93 0.18 0.00 0.52 0.00 0.00 34.95 33.58 1ore s ARG 87 CO -0.06 0.36 1.08 0.15 0.02 0.00 0.00 175.30 176.85 1ore s LYS 88 N -3.33 0.48 0.30 3.54 -0.14 -1.26 -0.25 119.74 119.07 1ore s LYS 88 Ca 0.28 0.74 -0.30 0.00 -1.36 0.00 0.00 55.97 55.34 1ore s LYS 88 Cb -0.06 -1.72 -0.12 0.00 -1.68 0.00 0.00 37.83 34.24 1ore s LYS 88 CO 0.15 -2.76 1.43 -2.13 -0.76 0.00 0.00 175.35 171.28 1ore n ARG 89 N -4.23 2.30 -1.01 1.68 3.00 -1.25 -2.97 116.66 114.18 1ore n ARG 89 Ca 0.06 0.81 -0.00 0.00 -0.00 0.00 0.00 57.85 58.72 1ore n ARG 89 Cb 0.56 -2.49 -0.00 0.00 0.00 0.00 0.00 32.46 30.53 1ore n ARG 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ore n GLY 90 N 1.52 0.35 0.13 5.14 0.00 -1.26 -4.90 105.19 106.17 1ore n GLY 90 Ca 0.07 -0.04 -0.20 0.00 0.00 0.00 0.00 46.02 45.86 1ore n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ore h LYS 91 N 0.59 0.34 -6.02 1.61 1.79 -1.91 -3.47 116.57 109.50 1ore h LYS 91 Ca -0.01 -0.58 -0.61 0.00 -2.18 0.00 0.00 60.65 57.27 1ore h LYS 91 Cb 0.39 0.22 -0.05 0.00 -1.58 0.00 0.00 32.23 31.20 1ore h LYS 91 CO 0.01 1.23 -0.21 -0.51 -1.08 0.00 0.00 179.45 178.89 1ore s LEU 92 N -7.17 4.46 0.50 2.94 1.43 -1.26 -5.08 118.68 114.48 1ore s LEU 92 Ca -0.11 0.93 -0.00 0.00 -1.03 0.00 0.00 54.13 53.92 1ore s LEU 92 Cb 0.06 -2.64 0.01 0.00 0.03 0.00 0.00 46.19 43.65 1ore s LEU 92 CO 0.87 0.30 0.73 -2.16 0.23 0.00 0.00 176.35 176.32 1ore s PRO 93 N -1.20 2.89 1.36 1.29 0.04 -1.26 -5.01 135.00 133.11 1ore s PRO 93 Ca 0.25 -0.51 0.00 0.00 0.04 0.00 0.00 61.00 60.78 1ore s PRO 93 Cb -0.16 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 31.88 1ore s PRO 93 CO 0.14 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.13 1ore n GLY 94 N -2.22 -1.72 3.75 0.56 0.00 -1.26 -4.84 105.19 99.46 1ore n GLY 94 Ca 0.04 -1.32 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 1ore n GLY 94 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1ore s PRO 95 N 0.00 4.30 0.10 1.61 0.02 -1.26 -4.97 135.00 134.80 1ore s PRO 95 Ca 0.00 2.24 0.01 0.00 0.02 0.00 0.00 61.00 63.28 1ore s PRO 95 Cb 0.00 -3.12 -0.04 0.00 0.02 0.00 0.00 34.50 31.36 1ore s PRO 95 CO 0.00 -0.36 -0.04 0.95 -0.33 0.00 0.00 177.00 177.21 1ore s THR 96 N -0.11 0.58 -0.01 0.99 -4.23 -1.26 -1.21 115.64 110.39 1ore s THR 96 Ca 0.58 -1.92 -0.03 0.00 -1.18 0.00 0.00 61.69 59.14 1ore s THR 96 Cb -0.41 -1.73 -0.04 0.00 1.34 0.00 0.00 72.50 71.66 1ore s THR 96 CO 0.43 -0.82 0.18 -0.76 -0.54 0.00 0.00 174.62 173.12 1ore s LEU 97 N -3.04 4.37 -0.05 4.79 1.43 -0.16 -4.80 118.68 121.22 1ore s LEU 97 Ca 0.13 0.36 0.05 0.00 -1.03 0.00 0.00 54.13 53.65 1ore s LEU 97 Cb 0.06 -2.59 -0.02 0.00 0.03 0.00 0.00 46.19 43.67 1ore s LEU 97 CO -0.04 0.27 -0.20 0.86 0.23 0.00 0.00 176.35 177.47 1ore s TRP 98 N -1.31 2.53 -0.10 0.29 -0.11 -1.26 -1.95 118.94 117.04 1ore s TRP 98 Ca 0.27 -0.41 -0.00 0.00 1.22 0.00 0.00 56.10 57.17 1ore s TRP 98 Cb -0.13 -1.60 0.02 0.00 -1.50 0.00 0.00 33.47 30.27 1ore s TRP 98 CO 0.18 -0.01 -0.07 0.00 -4.62 0.00 0.00 176.95 172.43 1ore s ALA 99 N -0.48 1.24 -0.25 5.86 0.00 -0.04 -4.99 121.76 123.10 1ore s ALA 99 Ca 0.06 -0.48 -0.01 0.00 0.00 0.00 0.00 51.96 51.53 1ore s ALA 99 Cb -0.12 -0.87 0.08 0.00 0.00 0.00 0.00 23.12 22.21 1ore s ALA 99 CO 0.01 -0.39 0.04 0.45 0.00 0.00 0.00 175.76 175.87 1ore s SER 100 N 1.68 3.63 -0.19 0.00 0.15 -1.26 -0.43 113.70 117.28 1ore s SER 100 Ca 0.04 -1.27 -0.05 0.00 0.70 0.00 0.00 55.95 55.37 1ore s SER 100 Cb -0.13 -0.87 -0.03 0.00 -1.71 0.00 0.00 66.02 63.29 1ore s SER 100 CO -0.07 -0.34 -0.00 -0.31 1.20 0.00 0.00 173.24 173.72 1ore s TYR 101 N 1.62 3.05 -0.27 3.44 2.02 0.03 -5.00 117.35 122.24 1ore s TYR 101 Ca 0.03 -0.41 -0.17 0.00 -0.37 0.00 0.00 57.07 56.15 1ore s TYR 101 Cb -0.18 -2.07 -0.03 0.00 -0.40 0.00 0.00 41.96 39.29 1ore s TYR 101 CO -0.14 -0.19 0.47 -1.12 -1.57 0.00 0.00 175.55 173.00 1ore s SER 102 N 0.88 6.37 0.38 2.29 0.01 -1.26 -1.47 113.70 120.90 1ore s SER 102 Ca 0.01 0.38 0.08 0.00 1.31 0.00 0.00 55.95 57.73 1ore s SER 102 Cb -0.14 -2.26 -0.07 0.00 0.21 0.00 0.00 66.02 63.76 1ore s SER 102 CO 0.02 -0.28 0.00 -0.76 0.41 0.00 0.00 173.24 172.63 1ore s LEU 103 N 2.25 2.88 0.29 2.44 1.43 0.05 -5.02 118.68 123.01 1ore s LEU 103 Ca 0.19 -1.25 -0.01 0.00 -1.03 0.00 0.00 54.13 52.03 1ore s LEU 103 Cb -0.16 -1.04 0.46 0.00 0.03 0.00 0.00 46.19 45.48 1ore s LEU 103 CO 0.10 -0.37 1.93 1.05 0.23 0.00 0.00 176.35 179.29 1ore h GLU 104 N 1.80 1.08 0.00 1.70 4.11 -2.03 -3.13 114.58 118.11 1ore h GLU 104 Ca -0.43 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 58.93 1ore h GLU 104 Cb 1.25 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.25 1ore h GLU 104 CO 0.75 0.71 -1.09 0.66 0.07 0.00 0.00 179.01 180.11 1ore n TYR 105 N -4.45 0.00 -3.10 2.06 0.53 -1.26 -5.05 117.16 105.89 1ore n TYR 105 Ca 0.12 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 57.00 1ore n TYR 105 Cb 0.11 -0.09 0.00 0.00 -1.03 0.00 0.00 39.34 38.33 1ore n TYR 105 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1ore n GLY 106 N 1.44 -0.55 3.51 2.72 0.00 -1.18 -5.15 105.19 105.98 1ore n GLY 106 Ca 0.02 -0.65 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 1ore n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ore s LYS 107 N -0.22 2.15 -0.34 1.61 1.02 -1.26 -0.77 119.74 121.93 1ore s LYS 107 Ca 0.00 -0.96 -0.05 0.00 0.02 0.00 0.00 55.97 54.98 1ore s LYS 107 Cb 0.00 -2.27 0.05 0.00 -0.52 0.00 0.00 37.83 35.09 1ore s LYS 107 CO 0.00 0.54 0.09 0.00 -0.92 0.00 0.00 175.35 175.06 1ore s ALA 108 N -1.03 3.00 -0.21 5.17 0.00 -0.54 -4.99 121.76 123.17 1ore s ALA 108 Ca 0.17 -1.82 0.01 0.00 0.00 0.00 0.00 51.96 50.32 1ore s ALA 108 Cb -0.11 -2.21 0.05 0.00 0.00 0.00 0.00 23.12 20.85 1ore s ALA 108 CO 0.08 -1.37 -0.11 -1.21 0.00 0.00 0.00 175.76 173.16 1ore s GLU 109 N 1.35 2.09 0.12 0.00 2.02 -1.26 -0.79 118.70 122.23 1ore s GLU 109 Ca -0.02 -0.94 0.03 0.00 0.02 0.00 0.00 54.97 54.06 1ore s GLU 109 Cb -0.20 -2.53 -0.04 0.00 0.10 0.00 0.00 34.13 31.46 1ore s GLU 109 CO 0.01 -0.46 -0.08 -0.51 0.02 0.00 0.00 175.26 174.24 1ore s LEU 110 N 1.34 2.52 0.04 1.80 1.43 0.43 -3.93 118.68 122.31 1ore s LEU 110 Ca -0.03 -1.00 -0.04 0.00 -1.03 0.00 0.00 54.13 52.04 1ore s LEU 110 Cb -0.17 -0.22 -0.02 0.00 0.03 0.00 0.00 46.19 45.82 1ore s LEU 110 CO -0.08 -0.39 0.05 -1.83 0.23 0.00 0.00 176.35 174.34 1ore s GLU 111 N -3.74 0.55 -0.01 1.70 -1.05 0.65 -0.86 118.70 115.94 1ore s GLU 111 Ca 0.14 -0.81 -0.03 0.00 -0.15 0.00 0.00 54.97 54.11 1ore s GLU 111 Cb 0.04 0.21 0.00 0.00 -0.44 0.00 0.00 34.13 33.93 1ore s GLU 111 CO -0.02 -0.12 0.07 -1.50 0.95 0.00 0.00 175.26 174.64 1ore s ILE 112 N -2.66 0.04 0.29 1.83 2.07 -0.82 -0.89 121.20 121.06 1ore s ILE 112 Ca -0.05 -0.36 -0.29 0.00 -1.41 0.00 0.00 60.65 58.54 1ore s ILE 112 Cb -0.01 -0.23 -0.10 0.00 0.13 0.00 0.00 42.46 42.25 1ore s ILE 112 CO -0.05 -0.20 1.43 -1.10 -1.91 0.00 0.00 174.94 173.12 1ore s GLN 113 N -0.61 4.25 0.60 3.50 -0.21 -1.26 -0.99 119.66 124.94 1ore s GLN 113 Ca -0.07 2.35 0.33 0.00 0.02 0.00 0.00 55.36 57.99 1ore s GLN 113 Cb -0.04 -3.07 1.93 0.00 1.00 0.00 0.00 33.01 32.82 1ore s GLN 113 CO 0.00 -0.40 2.27 0.87 -2.12 0.00 0.00 175.29 175.90 1ore h LYS 114 N 4.36 0.00 -0.48 2.91 1.57 -1.47 -1.46 116.57 122.01 1ore h LYS 114 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1ore h LYS 114 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1ore h LYS 114 CO 0.73 0.01 0.00 -0.40 -0.57 0.00 0.00 179.45 179.22 1ore n ASP 115 N -3.64 4.91 -0.21 0.86 3.85 -1.26 -4.61 116.55 116.44 1ore n ASP 115 Ca -0.03 -2.86 0.06 0.00 -0.71 0.00 0.00 54.79 51.26 1ore n ASP 115 Cb 0.10 -0.61 0.33 0.00 -1.35 0.00 0.00 41.12 39.59 1ore n ASP 115 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1ore h ALA 116 N 3.23 1.66 -2.59 2.12 0.00 -1.63 -3.43 119.26 118.63 1ore h ALA 116 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1ore h ALA 116 Cb 1.69 -0.21 -0.18 0.00 0.00 0.00 0.00 17.79 19.09 1ore h ALA 116 CO 0.35 0.21 -0.63 -0.51 0.00 0.00 0.00 179.25 178.68 1ore s LEU 117 N -9.77 2.16 0.23 0.00 1.43 -1.26 -5.00 118.68 106.47 1ore s LEU 117 Ca -0.10 -0.68 -0.02 0.00 -1.03 0.00 0.00 54.13 52.30 1ore s LEU 117 Cb 0.19 0.33 -0.04 0.00 0.03 0.00 0.00 46.19 46.70 1ore s LEU 117 CO 0.78 -0.48 0.44 -1.83 0.23 0.00 0.00 176.35 175.48 1ore s GLU 118 N -2.74 3.54 0.46 1.70 -1.05 -1.26 -5.02 118.70 114.34 1ore s GLU 118 Ca -0.04 -0.27 -0.24 0.00 -0.15 0.00 0.00 54.97 54.27 1ore s GLU 118 Cb -0.01 -2.79 -0.08 0.00 -0.44 0.00 0.00 34.13 30.82 1ore s GLU 118 CO -0.05 0.35 1.36 -2.30 0.95 0.00 0.00 175.26 175.56 1ore n PRO 119 N -0.79 2.02 -0.11 -4.83 -0.02 -1.25 -2.96 135.00 127.05 1ore n PRO 119 Ca -0.04 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1ore n PRO 119 Cb 0.54 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1ore n PRO 119 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ore n GLY 120 N 0.70 1.29 3.77 -1.23 0.00 0.81 -4.96 105.19 105.57 1ore n GLY 120 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1ore n GLY 120 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ore s GLN 121 N -0.51 4.37 -0.18 1.61 -0.21 -1.15 -4.64 119.66 118.93 1ore s GLN 121 Ca 0.00 1.80 -0.08 0.00 0.02 0.00 0.00 55.36 57.10 1ore s GLN 121 Cb 0.00 -2.92 -0.04 0.00 1.00 0.00 0.00 33.01 31.05 1ore s GLN 121 CO 0.00 -0.04 0.09 1.03 -2.12 0.00 0.00 175.29 174.25 1ore s ARG 122 N -1.90 4.00 0.02 2.91 0.52 -1.26 -0.55 118.95 122.68 1ore s ARG 122 Ca 0.51 -0.29 0.03 0.00 -0.52 0.00 0.00 55.73 55.45 1ore s ARG 122 Cb -0.31 -3.27 -0.01 0.00 0.52 0.00 0.00 34.95 31.88 1ore s ARG 122 CO 0.39 0.32 -0.08 0.08 0.02 0.00 0.00 175.30 176.03 1ore s VAL 123 N 0.26 0.62 -0.13 3.52 1.01 0.15 -0.61 120.40 125.23 1ore s VAL 123 Ca 0.05 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.35 1ore s VAL 123 Cb -0.12 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 1ore s VAL 123 CO -0.00 -0.06 -0.12 -0.69 0.00 0.00 0.00 175.10 174.22 1ore s VAL 124 N -0.69 3.10 0.02 2.92 1.01 -0.81 -0.80 120.40 125.14 1ore s VAL 124 Ca -0.02 -0.64 -0.18 0.00 0.00 0.00 0.00 61.98 61.14 1ore s VAL 124 Cb -0.06 -2.31 -0.06 0.00 0.00 0.00 0.00 36.38 33.96 1ore s VAL 124 CO 0.00 0.52 0.52 -0.69 0.00 0.00 0.00 175.10 175.45 1ore s VAL 125 N 0.34 4.90 -0.03 2.92 1.01 -0.66 -0.61 120.40 128.27 1ore s VAL 125 Ca -0.10 1.09 0.04 0.00 0.00 0.00 0.00 61.98 63.01 1ore s VAL 125 Cb -0.16 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 1ore s VAL 125 CO 0.06 0.51 -0.16 0.54 0.00 0.00 0.00 175.10 176.05 1ore s VAL 126 N -0.75 1.28 0.19 2.92 0.11 -0.12 -0.84 120.40 123.19 1ore s VAL 126 Ca 0.27 -0.66 -0.01 0.00 -2.93 0.00 0.00 61.98 58.65 1ore s VAL 126 Cb -0.18 -1.09 -0.04 0.00 -1.53 0.00 0.00 36.38 33.54 1ore s VAL 126 CO 0.16 0.37 0.10 -0.62 -3.33 0.00 0.00 175.10 171.78 1ore s ASP 127 N -0.15 0.34 0.27 3.54 -1.08 -0.96 -2.10 116.67 116.53 1ore s ASP 127 Ca 0.01 -1.33 -0.00 0.00 -0.52 0.00 0.00 52.55 50.71 1ore s ASP 127 Cb -0.09 0.33 0.37 0.00 -1.46 0.00 0.00 42.92 42.07 1ore s ASP 127 CO 0.01 -0.79 1.75 -2.24 0.52 0.00 0.00 175.17 174.42 1ore h ASP 128 N 2.66 0.66 -3.79 -0.34 -0.00 -1.87 -3.28 116.42 110.45 1ore h ASP 128 Ca -0.36 -0.18 -0.08 0.00 -0.00 0.00 0.00 57.03 56.42 1ore h ASP 128 Cb 1.23 -0.18 -0.23 0.00 -0.00 0.00 0.00 39.33 40.16 1ore h ASP 128 CO 0.56 0.79 -0.07 -0.22 -0.00 0.00 0.00 179.24 180.29 1ore s LEU 129 N -9.01 -0.21 -0.20 0.15 0.20 -1.26 -1.43 118.68 106.93 1ore s LEU 129 Ca -0.09 1.14 -0.06 0.00 0.69 0.00 0.00 54.13 55.82 1ore s LEU 129 Cb 0.14 1.91 -0.03 0.00 -0.43 0.00 0.00 46.19 47.79 1ore s LEU 129 CO 0.80 -0.20 0.02 -0.22 -0.29 0.00 0.00 176.35 176.46 1ore s LEU 130 N 0.51 3.36 0.00 -0.68 2.96 -0.16 -4.99 118.68 119.69 1ore s LEU 130 Ca -0.02 -0.16 0.00 0.00 -0.22 0.00 0.00 54.13 53.74 1ore s LEU 130 Cb -0.04 -1.86 0.00 0.00 0.50 0.00 0.00 46.19 44.79 1ore s LEU 130 CO -0.02 0.07 0.00 0.00 -1.32 0.00 0.00 176.35 175.08 1ore n ALA 131 N 4.19 0.00 0.25 5.97 0.00 -1.26 -1.14 120.51 128.52 1ore n ALA 131 Ca -0.17 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.40 1ore n ALA 131 Cb 0.52 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.58 1ore n ALA 131 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1ore h THR 132 N 0.00 0.35 0.00 0.00 1.35 -1.89 -2.83 112.91 109.89 1ore h THR 132 Ca 0.00 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 1ore h THR 132 Cb 0.00 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 1ore h THR 132 CO 0.00 0.12 0.00 0.61 -0.25 0.00 0.00 175.52 176.00 1ore n GLY 133 N -0.07 0.86 0.23 5.82 0.00 -1.26 -3.76 105.19 107.01 1ore n GLY 133 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ore n GLY 133 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1ore h GLY 134 N 0.00 0.84 0.58 -0.02 0.00 -1.94 0.29 103.07 102.82 1ore h GLY 134 Ca 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 1ore h GLY 134 CO 0.00 -0.05 -0.06 -0.84 0.00 0.00 0.00 176.54 175.59 1ore h THR 135 N 0.37 1.04 -0.27 4.70 2.02 -1.94 -1.40 112.91 117.44 1ore h THR 135 Ca 0.31 -0.86 -0.07 0.00 0.77 0.00 0.00 66.41 66.56 1ore h THR 135 Cb 0.41 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.38 1ore h THR 135 CO -0.33 0.20 -0.14 0.24 0.37 0.00 0.00 175.52 175.86 1ore h MET 136 N -0.59 0.46 -0.58 6.66 2.07 -1.94 -1.25 114.93 119.76 1ore h MET 136 Ca -0.02 -0.13 -0.06 0.00 -2.07 0.00 0.00 59.70 57.42 1ore h MET 136 Cb 0.46 -0.05 -0.02 0.00 -1.87 0.00 0.00 31.60 30.12 1ore h MET 136 CO 0.03 0.60 0.13 -0.97 1.07 0.00 0.00 176.91 177.76 1ore h ASN 137 N 0.43 0.90 -0.72 1.22 -0.73 -0.40 0.22 115.58 116.49 1ore h ASN 137 Ca 0.08 -0.24 -0.05 0.00 1.87 0.00 0.00 56.30 57.95 1ore h ASN 137 Cb 0.49 -0.24 -0.03 0.00 0.27 0.00 0.00 38.32 38.82 1ore h ASN 137 CO 0.03 0.91 0.24 0.00 -0.37 0.00 0.00 177.43 178.24 1ore h ALA 138 N 1.02 1.04 -0.41 1.57 0.00 -0.79 -1.27 119.26 120.42 1ore h ALA 138 Ca 0.18 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ore h ALA 138 Cb 0.37 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1ore h ALA 138 CO 0.00 0.65 0.24 0.00 0.00 0.00 0.00 179.25 180.14 1ore h ALA 139 N 1.18 0.52 -0.60 0.00 0.00 -0.89 -2.00 119.26 117.46 1ore h ALA 139 Ca 0.24 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 1ore h ALA 139 Cb 0.28 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1ore h ALA 139 CO -0.01 0.03 0.27 0.00 0.00 0.00 0.00 179.25 179.54 1ore h GLU 141 N 0.85 0.22 -0.77 0.00 4.81 -0.84 -0.82 114.58 118.03 1ore h GLU 141 Ca 0.21 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1ore h GLU 141 Cb 0.12 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 1ore h GLU 141 CO -0.02 0.16 0.48 -0.07 -0.73 0.00 0.00 179.01 178.82 1ore h LEU 142 N 0.21 0.92 -0.59 1.64 3.38 -0.99 -1.41 115.31 118.46 1ore h LEU 142 Ca 0.06 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 1ore h LEU 142 Cb -0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1ore h LEU 142 CO -0.01 0.70 -0.26 -0.07 0.09 0.00 0.00 178.44 178.89 1ore h LEU 143 N 1.05 0.87 -1.18 1.67 3.38 -1.14 -2.40 115.31 117.56 1ore h LEU 143 Ca 0.28 -0.34 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1ore h LEU 143 Cb -0.06 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1ore h LEU 143 CO -0.05 1.08 -0.17 1.23 0.09 0.00 0.00 178.44 180.62 1ore h GLY 144 N 0.92 0.39 2.00 0.83 0.00 -0.88 -0.19 103.07 106.15 1ore h GLY 144 Ca 0.09 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.14 1ore h GLY 144 CO 0.07 0.25 -0.02 3.21 0.00 0.00 0.00 176.54 180.05 1ore h ARG 145 N 0.34 0.00 -0.17 4.80 3.08 -0.84 0.15 114.38 121.74 1ore h ARG 145 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1ore h ARG 145 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1ore h ARG 145 CO 0.03 0.02 0.00 1.28 -1.07 0.00 0.00 179.97 180.23 1ore n LEU 146 N -3.12 1.10 -2.31 3.04 4.77 -0.87 -4.92 117.00 114.70 1ore n LEU 146 Ca 0.01 -0.52 -0.19 0.00 -0.03 0.00 0.00 56.01 55.28 1ore n LEU 146 Cb 0.38 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 1ore n LEU 146 CO 0.30 0.26 -0.24 0.00 -1.33 0.00 0.00 177.39 176.37 1ore n GLN 147 N 0.04 -1.75 -2.73 3.23 6.02 0.04 -3.85 117.38 118.38 1ore n GLN 147 Ca 0.10 0.96 -0.32 0.00 -0.01 0.00 0.00 57.00 57.74 1ore n GLN 147 Cb 0.20 -5.58 -0.04 0.00 1.02 0.00 0.00 30.24 25.83 1ore n GLN 147 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ore s ALA 148 N -2.92 3.18 -0.26 -1.58 0.00 -0.13 -0.13 121.76 119.91 1ore s ALA 148 Ca 0.00 0.09 -0.10 0.00 0.00 0.00 0.00 51.96 51.95 1ore s ALA 148 Cb 0.00 -2.95 -0.05 0.00 0.00 0.00 0.00 23.12 20.12 1ore s ALA 148 CO 0.00 -0.01 0.15 -2.00 0.00 0.00 0.00 175.76 173.91 1ore s GLU 149 N -3.65 3.93 -0.49 0.00 2.12 0.28 -4.12 118.70 116.78 1ore s GLU 149 Ca 0.57 -0.33 -0.23 0.00 0.36 0.00 0.00 54.97 55.33 1ore s GLU 149 Cb -0.10 -3.54 0.03 0.00 0.26 0.00 0.00 34.13 30.78 1ore s GLU 149 CO 0.25 -0.09 0.81 0.08 -0.54 0.00 0.00 175.26 175.77 1ore s VAL 150 N 1.47 4.60 0.20 3.70 1.01 -1.26 -0.67 120.40 129.44 1ore s VAL 150 Ca 0.07 0.25 -0.05 0.00 0.00 0.00 0.00 61.98 62.25 1ore s VAL 150 Cb -0.15 -4.38 0.01 0.00 0.00 0.00 0.00 36.38 31.86 1ore s VAL 150 CO 0.07 -0.85 1.59 -0.07 0.00 0.00 0.00 175.10 175.85 1ore h LEU 151 N 10.32 0.81 -7.00 3.92 3.38 -1.35 -3.46 115.31 121.93 1ore h LEU 151 Ca -0.26 -0.32 0.19 0.00 0.09 0.00 0.00 57.88 57.59 1ore h LEU 151 Cb 1.08 -0.22 -0.22 0.00 0.09 0.00 0.00 40.66 41.39 1ore h LEU 151 CO 1.00 1.04 0.76 -0.70 0.09 0.00 0.00 178.44 180.63 1ore s GLU 152 N -4.51 0.34 -0.00 1.13 2.12 -1.25 -4.30 118.70 112.23 1ore s GLU 152 Ca -0.09 -0.01 0.06 0.00 0.36 0.00 0.00 54.97 55.29 1ore s GLU 152 Cb 0.13 0.16 -0.03 0.00 0.26 0.00 0.00 34.13 34.65 1ore s GLU 152 CO 0.84 -0.13 -0.20 0.00 -0.54 0.00 0.00 175.26 175.24 1ore s VAL 154 N -0.78 0.51 0.21 0.00 -7.23 -0.02 -1.85 120.40 111.25 1ore s VAL 154 Ca 0.12 -1.62 -0.14 0.00 -1.81 0.00 0.00 61.98 58.53 1ore s VAL 154 Cb -0.10 -1.27 0.01 0.00 0.56 0.00 0.00 36.38 35.57 1ore s VAL 154 CO 0.02 -0.75 0.47 -0.94 -0.31 0.00 0.00 175.10 173.59 1ore s SER 155 N -2.53 -0.14 -0.00 4.85 1.04 -0.55 -2.26 113.70 114.11 1ore s SER 155 Ca 0.03 -0.71 -0.21 0.00 0.48 0.00 0.00 55.95 55.53 1ore s SER 155 Cb 0.01 0.56 -0.21 0.00 0.10 0.00 0.00 66.02 66.48 1ore s SER 155 CO -0.04 -1.06 1.15 -0.07 0.98 0.00 0.00 173.24 174.19 1ore h LEU 156 N 2.28 0.39 -8.71 2.42 4.07 -1.30 -2.74 115.31 111.72 1ore h LEU 156 Ca -0.28 -0.68 -0.70 0.00 0.08 0.00 0.00 57.88 56.30 1ore h LEU 156 Cb 1.25 -0.12 -0.27 0.00 1.08 0.00 0.00 40.66 42.60 1ore h LEU 156 CO 0.38 1.01 -0.87 -0.69 -1.08 0.00 0.00 178.44 177.19 1ore s VAL 157 N -3.51 2.20 -0.04 1.22 1.01 -0.60 -0.76 120.40 119.93 1ore s VAL 157 Ca -0.14 -1.22 0.02 0.00 0.00 0.00 0.00 61.98 60.63 1ore s VAL 157 Cb 0.03 -1.82 0.01 0.00 0.00 0.00 0.00 36.38 34.60 1ore s VAL 157 CO 0.78 0.47 -0.08 -0.70 0.00 0.00 0.00 175.10 175.56 1ore s GLU 158 N -0.97 0.98 -0.65 2.72 2.12 -0.21 -0.98 118.70 121.72 1ore s GLU 158 Ca 0.11 -0.25 -0.16 0.00 0.36 0.00 0.00 54.97 55.04 1ore s GLU 158 Cb -0.10 -0.91 0.16 0.00 0.26 0.00 0.00 34.13 33.53 1ore s GLU 158 CO 0.01 0.04 0.63 -0.51 -0.54 0.00 0.00 175.26 174.89 1ore s LEU 159 N 0.47 6.27 0.39 2.70 1.43 -0.29 -1.01 118.68 128.64 1ore s LEU 159 Ca -0.07 -2.06 0.17 0.00 -1.03 0.00 0.00 54.13 51.13 1ore s LEU 159 Cb -0.11 -2.22 0.79 0.00 0.03 0.00 0.00 46.19 44.68 1ore s LEU 159 CO 0.01 -0.79 1.82 0.71 0.23 0.00 0.00 176.35 178.32 1ore h THR 160 N 5.52 1.06 0.00 5.49 1.35 -1.03 -2.32 112.91 122.97 1ore h THR 160 Ca -0.15 -1.30 0.00 0.00 -0.55 0.00 0.00 66.41 64.41 1ore h THR 160 Cb 1.08 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 1ore h THR 160 CO 0.95 0.35 0.00 0.77 -0.25 0.00 0.00 175.52 177.34 1ore h SER 161 N 0.00 0.00 0.03 5.36 4.64 -1.82 -2.78 113.55 118.98 1ore h SER 161 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ore h SER 161 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1ore h SER 161 CO 0.05 0.00 -0.04 0.18 -0.87 0.00 0.00 176.83 176.15 1ore n LEU 162 N -3.06 1.32 -1.91 5.97 4.77 -0.87 -4.95 117.00 118.26 1ore n LEU 162 Ca -0.01 -0.42 -0.18 0.00 -0.03 0.00 0.00 56.01 55.37 1ore n LEU 162 Cb 0.19 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 1ore n LEU 162 CO 0.23 0.22 -0.22 0.29 -1.33 0.00 0.00 177.39 176.59 1ore n LYS 163 N -0.04 -1.39 -0.29 3.23 5.02 -1.05 -4.39 118.16 119.25 1ore n LYS 163 Ca 0.18 0.91 0.04 0.00 -2.02 0.00 0.00 58.31 57.42 1ore n LYS 163 Cb 0.34 -5.36 0.18 0.00 -0.02 0.00 0.00 35.03 30.17 1ore n LYS 163 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1ore h GLY 164 N 0.00 1.31 0.74 0.72 0.00 -1.59 -2.23 103.07 102.02 1ore h GLY 164 Ca -0.41 -0.30 0.06 0.00 0.00 0.00 0.00 47.33 46.67 1ore h GLY 164 CO 0.50 0.09 0.49 -0.09 0.00 0.00 0.00 176.54 177.54 1ore h ARG 165 N 0.76 0.88 -0.19 4.80 2.43 -1.87 -1.98 114.38 119.21 1ore h ARG 165 Ca 0.41 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.53 1ore h ARG 165 Cb 0.43 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1ore h ARG 165 CO -0.27 0.58 0.10 1.49 -1.51 0.00 0.00 179.97 180.37 1ore h GLU 166 N 0.91 0.26 -0.68 0.20 4.81 -1.81 -1.38 114.58 116.90 1ore h GLU 166 Ca 0.35 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1ore h GLU 166 Cb 0.15 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1ore h GLU 166 CO -0.17 0.24 0.42 -0.22 -0.73 0.00 0.00 179.01 178.56 1ore h LYS 167 N 0.20 0.90 0.01 1.92 3.64 -0.92 -2.69 116.57 119.62 1ore h LYS 167 Ca 0.07 -0.07 -0.19 0.00 -1.27 0.00 0.00 60.65 59.18 1ore h LYS 167 Cb 0.06 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1ore h LYS 167 CO -0.01 0.62 -0.92 -0.07 -2.27 0.00 0.00 179.45 176.80 1ore h LEU 168 N 0.92 0.05 -9.43 5.20 3.38 -1.10 -3.46 115.31 110.88 1ore h LEU 168 Ca 0.25 -0.05 -0.61 0.00 0.09 0.00 0.00 57.88 57.56 1ore h LEU 168 Cb -0.07 -0.02 0.11 0.00 0.09 0.00 0.00 40.66 40.78 1ore h LEU 168 CO -0.05 0.94 0.05 0.00 0.09 0.00 0.00 178.44 179.47 1ore n ALA 169 N -2.39 -0.52 1.66 1.53 0.00 -0.54 -1.46 120.51 118.80 1ore n ALA 169 Ca -0.01 0.39 0.10 0.00 0.00 0.00 0.00 53.44 53.92 1ore n ALA 169 Cb 0.86 -1.97 0.50 0.00 0.00 0.00 0.00 19.45 18.83 1ore n ALA 169 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ore n PRO 170 N 0.73 1.33 -1.82 0.00 -0.04 -1.26 -5.02 135.00 128.92 1ore n PRO 170 Ca 0.10 -0.49 -0.42 0.00 -0.04 0.00 0.00 63.50 62.66 1ore n PRO 170 Cb 0.32 -1.35 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 1ore n PRO 170 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ore s VAL 171 N -1.92 3.15 0.73 0.52 1.01 -0.53 -4.96 120.40 118.41 1ore s VAL 171 Ca 0.31 0.30 -0.16 0.00 0.00 0.00 0.00 61.98 62.44 1ore s VAL 171 Cb 0.15 -3.20 0.03 0.00 0.00 0.00 0.00 36.38 33.37 1ore s VAL 171 CO 0.25 -0.02 1.17 -2.65 0.00 0.00 0.00 175.10 173.84 1ore n PRO 172 N 6.97 0.58 -3.94 2.72 -0.02 -1.26 -4.85 135.00 135.21 1ore n PRO 172 Ca 0.18 0.26 -0.11 0.00 -2.02 0.00 0.00 63.50 61.81 1ore n PRO 172 Cb 0.41 -2.41 -0.13 0.00 -0.02 0.00 0.00 33.50 31.36 1ore n PRO 172 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1ore s PHE 173 N -1.79 0.16 -0.09 6.00 2.19 -1.26 -1.94 117.98 121.24 1ore s PHE 173 Ca 0.76 -0.21 -0.05 0.00 0.33 0.00 0.00 56.93 57.77 1ore s PHE 173 Cb -0.34 -0.11 0.04 0.00 -1.31 0.00 0.00 43.02 41.31 1ore s PHE 173 CO 0.47 -0.07 0.22 0.12 1.83 0.00 0.00 175.22 177.79 1ore s PHE 174 N -0.57 -0.28 0.17 10.12 5.36 -0.77 -4.99 117.98 127.02 1ore s PHE 174 Ca -0.06 0.70 0.09 0.00 -0.96 0.00 0.00 56.93 56.70 1ore s PHE 174 Cb -0.04 0.01 -0.04 0.00 -0.34 0.00 0.00 43.02 42.61 1ore s PHE 174 CO -0.00 -0.21 -0.20 -1.54 -1.46 0.00 0.00 175.22 171.81 1ore s SER 175 N 1.20 2.85 0.03 6.13 1.04 -1.26 -1.48 113.70 122.21 1ore s SER 175 Ca -0.09 -0.86 -0.18 0.00 0.48 0.00 0.00 55.95 55.30 1ore s SER 175 Cb -0.10 -0.18 -0.25 0.00 0.10 0.00 0.00 66.02 65.58 1ore s SER 175 CO -0.08 0.00 1.10 -0.07 0.98 0.00 0.00 173.24 175.18 1ore h LEU 176 N 3.25 0.69 -8.14 2.42 3.38 -1.15 -3.47 115.31 112.28 1ore h LEU 176 Ca -0.43 -0.79 -0.45 0.00 0.09 0.00 0.00 57.88 56.30 1ore h LEU 176 Cb 1.21 -0.21 -0.29 0.00 0.09 0.00 0.00 40.66 41.45 1ore h LEU 176 CO 0.50 1.40 -0.80 -0.76 0.09 0.00 0.00 178.44 178.87 1ore s LEU 177 N -8.15 2.01 -0.09 1.67 1.43 0.06 -5.04 118.68 110.58 1ore s LEU 177 Ca -0.12 -0.22 0.03 0.00 -1.03 0.00 0.00 54.13 52.79 1ore s LEU 177 Cb 0.04 -0.63 0.01 0.00 0.03 0.00 0.00 46.19 45.64 1ore s LEU 177 CO 0.87 0.15 -0.20 -1.10 0.23 0.00 0.00 176.35 176.30 1ore s GLN 178 N -0.26 2.55 0.33 1.70 1.11 -1.26 -1.04 119.66 122.79 1ore s GLN 178 Ca 0.04 -0.70 0.08 0.00 0.01 0.00 0.00 55.36 54.79 1ore s GLN 178 Cb -0.05 -1.98 -0.06 0.00 -1.01 0.00 0.00 33.01 29.91 1ore s GLN 178 CO -0.00 0.11 -0.07 0.71 0.01 0.00 0.00 175.29 176.05 1ore s TYR 179 N 0.49 2.29 -2.00 0.91 2.02 -0.18 -4.97 117.35 115.92 1ore s TYR 179 Ca -0.17 -0.58 0.06 0.00 -0.37 0.00 0.00 57.07 56.02 1ore s TYR 179 Cb -0.17 -1.35 0.38 0.00 -0.40 0.00 0.00 41.96 40.42 1ore s TYR 179 CO 0.06 0.48 0.85 -1.91 -1.57 0.00 0.00 175.55 173.47