#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4h s SER 2 N 0.00 4.41 -0.06 1.61 0.01 -1.26 -5.08 113.70 113.33 1x4h s SER 2 Ca 0.00 -1.58 -0.31 0.00 1.31 0.00 0.00 55.95 55.37 1x4h s SER 2 Cb 0.00 -1.47 0.11 0.00 0.21 0.00 0.00 66.02 64.87 1x4h s SER 2 CO 0.00 -0.26 1.02 -0.94 0.41 0.00 0.00 173.24 173.47 1x4h s SER 3 N 1.12 -0.26 0.00 2.44 1.04 -1.26 -5.18 113.70 111.60 1x4h s SER 3 Ca -0.02 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1x4h s SER 3 Cb -0.19 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1x4h s SER 3 CO -0.07 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.27 1x4h n GLY 4 N -0.22 4.29 3.85 7.32 0.00 -1.26 -5.15 105.19 114.02 1x4h n GLY 4 Ca -0.05 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.04 1x4h n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4h s SER 5 N 0.00 4.90 -0.00 1.61 0.15 -1.26 -5.03 113.70 114.07 1x4h s SER 5 Ca 0.00 1.14 -0.05 0.00 0.70 0.00 0.00 55.95 57.74 1x4h s SER 5 Cb 0.00 -1.87 -0.03 0.00 -1.71 0.00 0.00 66.02 62.41 1x4h s SER 5 CO 0.00 -1.69 0.66 0.28 1.20 0.00 0.00 173.24 173.69 1x4h h SER 6 N -0.90 -0.16 0.00 5.45 0.02 -2.09 -3.48 113.55 112.39 1x4h h SER 6 Ca -0.46 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1x4h h SER 6 Cb 1.27 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1x4h h SER 6 CO 0.62 -0.07 0.00 0.61 -1.14 0.00 0.00 176.83 176.86 1x4h n GLY 7 N 0.14 -1.31 3.60 -3.77 0.00 -1.26 -5.15 105.19 97.43 1x4h n GLY 7 Ca -0.02 0.77 -0.37 0.00 0.00 0.00 0.00 46.02 46.40 1x4h n GLY 7 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1x4h n LEU 8 N 0.00 3.37 -0.04 0.99 -0.00 -1.26 -4.94 117.00 115.11 1x4h n LEU 8 Ca 0.00 0.74 -0.13 0.00 -0.00 0.00 0.00 56.01 56.62 1x4h n LEU 8 Cb 0.00 -1.37 -0.08 0.00 -0.00 0.00 0.00 43.42 41.97 1x4h n LEU 8 CO 0.00 -2.06 0.61 1.55 -0.00 0.00 0.00 177.39 177.49 1x4h h PRO 9 N 0.16 0.28 -1.88 1.47 0.13 -2.07 -3.46 132.00 126.63 1x4h h PRO 9 Ca -0.48 -0.15 0.02 0.00 -0.87 0.00 0.00 66.00 64.53 1x4h h PRO 9 Cb 1.36 0.01 -0.23 0.00 0.13 0.00 0.00 31.00 32.27 1x4h h PRO 9 CO 0.49 0.68 0.16 -1.54 -0.23 0.00 0.00 178.00 177.56 1x4h s SER 10 N -6.03 -0.76 -0.08 1.44 1.04 -1.26 -5.13 113.70 102.92 1x4h s SER 10 Ca -0.15 1.31 -0.30 0.00 0.48 0.00 0.00 55.95 57.30 1x4h s SER 10 Cb 0.04 1.32 -0.05 0.00 0.10 0.00 0.00 66.02 67.43 1x4h s SER 10 CO 0.74 -0.21 1.70 -0.62 0.98 0.00 0.00 173.24 175.82 1x4h s ASP 11 N 1.04 6.55 -0.10 7.02 -1.08 -1.26 -4.85 116.67 123.99 1x4h s ASP 11 Ca -0.05 2.16 -0.01 0.00 -0.52 0.00 0.00 52.55 54.13 1x4h s ASP 11 Cb -0.05 -2.53 -0.06 0.00 -1.46 0.00 0.00 42.92 38.82 1x4h s ASP 11 CO -0.11 -1.03 -0.10 0.55 0.52 0.00 0.00 175.17 174.99 1x4h n VAL 12 N 5.73 0.56 -4.21 1.11 3.14 -1.26 -5.03 118.33 118.37 1x4h n VAL 12 Ca 0.18 -0.19 -0.33 0.00 -2.96 0.00 0.00 64.34 61.05 1x4h n VAL 12 Cb 0.43 -1.13 -0.06 0.00 -1.06 0.00 0.00 33.84 32.02 1x4h n VAL 12 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1x4h n THR 13 N -3.02 -1.74 -3.71 1.55 -2.24 -1.26 -4.91 114.28 98.94 1x4h n THR 13 Ca -0.18 -0.53 -0.08 0.00 -2.27 0.00 0.00 64.05 60.99 1x4h n THR 13 Cb 0.67 -1.56 -0.02 0.00 -2.10 0.00 0.00 70.33 67.32 1x4h n THR 13 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1x4h s GLU 14 N -7.23 1.58 0.00 -0.78 2.12 -1.26 -5.01 118.70 108.13 1x4h s GLU 14 Ca 0.09 -0.80 0.00 0.00 0.36 0.00 0.00 54.97 54.62 1x4h s GLU 14 Cb -0.05 0.59 0.00 0.00 0.26 0.00 0.00 34.13 34.93 1x4h s GLU 14 CO 0.97 -0.72 0.00 0.41 -0.54 0.00 0.00 175.26 175.39 1x4h n GLY 15 N -0.43 1.98 3.17 -1.50 0.00 -1.26 -5.04 105.19 102.12 1x4h n GLY 15 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 1x4h n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4h s LYS 16 N -0.52 3.01 0.07 1.61 1.02 -1.26 -4.98 119.74 118.69 1x4h s LYS 16 Ca 0.00 -0.84 -0.01 0.00 0.02 0.00 0.00 55.97 55.14 1x4h s LYS 16 Cb 0.00 -2.75 -0.04 0.00 -0.52 0.00 0.00 37.83 34.52 1x4h s LYS 16 CO 0.00 -0.26 -0.01 0.99 -0.92 0.00 0.00 175.35 175.15 1x4h s THR 17 N 1.33 0.21 -0.20 2.17 2.01 -1.26 -3.96 115.64 115.93 1x4h s THR 17 Ca 0.04 -1.84 -0.08 0.00 0.31 0.00 0.00 61.69 60.12 1x4h s THR 17 Cb -0.14 -1.65 0.09 0.00 0.01 0.00 0.00 72.50 70.80 1x4h s THR 17 CO -0.09 -0.87 0.45 0.68 -0.69 0.00 0.00 174.62 174.10 1x4h s VAL 18 N -3.94 -0.55 -0.21 3.82 -7.23 -0.32 -3.92 120.40 108.05 1x4h s VAL 18 Ca 0.11 0.14 -0.02 0.00 -1.81 0.00 0.00 61.98 60.40 1x4h s VAL 18 Cb 0.08 -0.70 0.00 0.00 0.56 0.00 0.00 36.38 36.32 1x4h s VAL 18 CO -0.07 0.06 -0.09 0.12 -0.31 0.00 0.00 175.10 174.80 1x4h s PHE 19 N 2.40 2.90 -0.07 2.82 5.36 0.12 0.02 117.98 131.54 1x4h s PHE 19 Ca -0.04 -1.19 -0.14 0.00 -0.96 0.00 0.00 56.93 54.61 1x4h s PHE 19 Cb -0.11 -2.04 -0.05 0.00 -0.34 0.00 0.00 43.02 40.47 1x4h s PHE 19 CO -0.13 -0.64 0.36 0.42 -1.46 0.00 0.00 175.22 173.76 1x4h s ILE 20 N 1.41 5.17 0.25 3.12 1.09 0.65 -1.04 121.20 131.86 1x4h s ILE 20 Ca 0.05 0.71 0.11 0.00 -1.10 0.00 0.00 60.65 60.42 1x4h s ILE 20 Cb -0.14 -3.67 -0.05 0.00 -1.06 0.00 0.00 42.46 37.54 1x4h s ILE 20 CO -0.06 0.51 -0.18 -0.13 -0.10 0.00 0.00 174.94 174.97 1x4h s ARG 21 N -0.49 1.56 -0.92 2.79 0.52 0.12 -1.24 118.95 121.29 1x4h s ARG 21 Ca 0.21 -1.70 -0.02 0.00 -0.52 0.00 0.00 55.73 53.70 1x4h s ARG 21 Cb -0.15 -1.57 -0.02 0.00 0.52 0.00 0.00 34.95 33.73 1x4h s ARG 21 CO 0.10 0.29 0.78 -1.71 0.02 0.00 0.00 175.30 174.77 1x4h n ASN 22 N -0.51 -3.49 -4.92 0.23 5.15 -0.47 -1.98 115.26 109.27 1x4h n ASN 22 Ca -0.06 -0.53 -0.26 0.00 -0.60 0.00 0.00 54.58 53.13 1x4h n ASN 22 Cb 0.60 -4.26 -0.01 0.00 -0.53 0.00 0.00 39.78 35.58 1x4h n ASN 22 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1x4h s LEU 23 N -5.29 3.78 -0.16 1.20 1.43 -0.54 -4.51 118.68 114.59 1x4h s LEU 23 Ca 0.15 0.76 -0.11 0.00 -1.03 0.00 0.00 54.13 53.90 1x4h s LEU 23 Cb -0.02 -3.68 -0.05 0.00 0.03 0.00 0.00 46.19 42.48 1x4h s LEU 23 CO 0.59 -0.46 0.20 -0.55 0.23 0.00 0.00 176.35 176.36 1x4h s SER 24 N -4.01 6.34 0.31 2.29 0.15 -1.26 -4.71 113.70 112.81 1x4h s SER 24 Ca 0.45 0.40 0.02 0.00 0.70 0.00 0.00 55.95 57.52 1x4h s SER 24 Cb -0.10 -2.13 0.78 0.00 -1.71 0.00 0.00 66.02 62.86 1x4h s SER 24 CO 0.41 0.19 1.56 0.49 1.20 0.00 0.00 173.24 177.09 1x4h n PHE 25 N 3.22 0.65 -0.31 3.44 3.72 -1.26 0.19 117.46 127.10 1x4h n PHE 25 Ca -0.15 1.20 0.06 0.00 -0.05 0.00 0.00 57.45 58.51 1x4h n PHE 25 Cb 0.52 -1.26 0.27 0.00 -0.94 0.00 0.00 39.48 38.07 1x4h n PHE 25 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 1x4h h ASP 26 N 0.00 0.86 -1.62 4.37 3.04 -1.98 -3.38 116.42 117.72 1x4h h ASP 26 Ca 0.61 0.02 -0.51 0.00 -3.24 0.00 0.00 57.03 53.92 1x4h h ASP 26 Cb 1.27 -0.16 0.15 0.00 -1.04 0.00 0.00 39.33 39.55 1x4h h ASP 26 CO -0.93 0.52 -0.93 -1.54 -2.04 0.00 0.00 179.24 174.32 1x4h n SER 27 N -4.53 -2.91 -3.94 4.15 3.41 0.49 -4.98 113.62 105.30 1x4h n SER 27 Ca 0.16 0.58 -0.13 0.00 -0.26 0.00 0.00 58.87 59.21 1x4h n SER 27 Cb 0.28 -0.72 -0.13 0.00 -0.26 0.00 0.00 64.21 63.38 1x4h n SER 27 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1x4h s GLU 28 N -0.84 0.27 0.34 4.33 2.02 -1.26 -4.93 118.70 118.63 1x4h s GLU 28 Ca 0.48 -0.25 0.13 0.00 0.02 0.00 0.00 54.97 55.35 1x4h s GLU 28 Cb -0.44 -0.18 1.07 0.00 0.10 0.00 0.00 34.13 34.67 1x4h s GLU 28 CO 0.55 0.04 1.60 1.49 0.02 0.00 0.00 175.26 178.96 1x4h h GLU 29 N 5.69 0.09 0.79 1.61 4.81 -1.95 0.18 114.58 125.79 1x4h h GLU 29 Ca -0.28 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 58.91 1x4h h GLU 29 Cb 1.20 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.57 1x4h h GLU 29 CO 0.48 0.06 -0.40 0.93 -0.73 0.00 0.00 179.01 179.35 1x4h h GLU 30 N 0.09 -1.05 0.64 1.92 5.08 -1.95 -2.39 114.58 116.92 1x4h h GLU 30 Ca 0.73 0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 59.13 1x4h h GLU 30 Cb 1.74 0.24 -0.01 0.00 0.50 0.00 0.00 28.75 31.22 1x4h h GLU 30 CO -0.76 -0.70 -0.41 0.00 -1.00 0.00 0.00 179.01 176.14 1x4h h ALA 31 N -0.88 -1.03 -0.94 3.43 0.00 -1.23 -0.59 119.26 118.02 1x4h h ALA 31 Ca -0.11 -0.20 0.15 0.00 0.00 0.00 0.00 54.91 54.75 1x4h h ALA 31 Cb 0.84 0.51 -0.15 0.00 0.00 0.00 0.00 17.79 18.99 1x4h h ALA 31 CO 0.17 -1.10 -0.35 -0.11 0.00 0.00 0.00 179.25 177.86 1x4h n LEU 32 N -5.54 -0.58 0.21 0.00 0.00 0.35 -1.09 117.00 110.35 1x4h n LEU 32 Ca -0.13 1.63 -0.14 0.00 0.00 0.00 0.00 56.01 57.37 1x4h n LEU 32 Cb 0.43 -0.39 -0.08 0.00 0.00 0.00 0.00 43.42 43.38 1x4h n LEU 32 CO 0.34 -1.48 0.57 1.23 0.00 0.00 0.00 177.39 178.05 1x4h h GLY 33 N 0.00 -0.56 0.42 -3.96 0.00 -1.26 -2.69 103.07 95.02 1x4h h GLY 33 Ca 0.34 0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.93 1x4h h GLY 33 CO -0.93 -0.20 0.74 0.83 0.00 0.00 0.00 176.54 176.98 1x4h h GLU 34 N -0.79 0.00 0.16 4.80 4.39 0.53 0.72 114.58 124.40 1x4h h GLU 34 Ca -0.05 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.41 1x4h h GLU 34 Cb 0.53 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.20 1x4h h GLU 34 CO 0.09 0.00 -1.05 0.28 -1.16 0.00 0.00 179.01 177.17 1x4h h VAL 35 N 0.00 1.39 0.00 3.13 2.07 -0.81 -3.35 116.25 118.69 1x4h h VAL 35 Ca 0.08 -2.55 -0.24 0.00 0.82 0.00 0.00 66.70 64.80 1x4h h VAL 35 Cb 1.57 3.10 0.01 0.00 -1.52 0.00 0.00 31.29 34.45 1x4h h VAL 35 CO -0.00 0.74 -0.99 -0.07 0.02 0.00 0.00 177.57 177.26 1x4h h LEU 36 N -0.25 0.69 -1.44 2.57 3.38 0.41 -3.23 115.31 117.44 1x4h h LEU 36 Ca -0.19 -0.56 0.34 0.00 0.09 0.00 0.00 57.88 57.56 1x4h h LEU 36 Cb 1.78 -0.21 -0.10 0.00 0.09 0.00 0.00 40.66 42.21 1x4h h LEU 36 CO 0.17 1.36 0.77 1.56 0.09 0.00 0.00 178.44 182.38 1x4h h GLN 37 N 0.30 0.23 -1.04 1.13 4.20 -0.78 0.41 115.11 119.55 1x4h h GLN 37 Ca -0.10 -0.01 0.27 0.00 0.06 0.00 0.00 58.65 58.86 1x4h h GLN 37 Cb 1.64 -0.05 -0.09 0.00 0.30 0.00 0.00 27.48 29.27 1x4h h GLN 37 CO 0.18 0.15 0.67 -0.56 -0.67 0.00 0.00 178.83 178.60 1x4h h GLN 38 N 0.23 0.39 0.07 1.46 3.07 -1.68 -0.24 115.11 118.41 1x4h h GLN 38 Ca 0.69 -0.02 -0.17 0.00 0.09 0.00 0.00 58.65 59.23 1x4h h GLN 38 Cb 2.02 -0.09 0.02 0.00 0.08 0.00 0.00 27.48 29.51 1x4h h GLN 38 CO -0.32 0.26 -0.72 0.74 0.09 0.00 0.00 178.83 178.88 1x4h h PHE 39 N 0.40 0.59 -1.87 0.06 0.04 -0.41 -3.49 116.94 112.26 1x4h h PHE 39 Ca 0.60 -0.37 0.15 0.00 2.80 0.00 0.00 57.97 61.14 1x4h h PHE 39 Cb 1.50 -0.05 -0.18 0.00 2.20 0.00 0.00 35.95 39.42 1x4h h PHE 39 CO -0.00 1.24 0.61 0.20 -0.60 0.00 0.00 178.31 179.75 1x4h s GLY 40 N -4.26 -0.36 -0.06 -1.45 0.00 -0.10 -4.90 107.32 96.19 1x4h s GLY 40 Ca -0.13 1.44 -0.36 0.00 0.00 0.00 0.00 44.72 45.66 1x4h s GLY 40 CO 0.83 0.55 1.69 1.22 0.00 0.00 0.00 173.10 177.39 1x4h n ASP 41 N 0.01 2.80 -4.73 1.64 8.00 -1.26 -4.07 116.55 118.94 1x4h n ASP 41 Ca -0.06 1.05 -0.39 0.00 0.71 0.00 0.00 54.79 56.10 1x4h n ASP 41 Cb 0.60 -1.29 -0.05 0.00 -0.02 0.00 0.00 41.12 40.36 1x4h n ASP 41 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1x4h s LEU 42 N 2.67 4.33 -0.01 0.64 1.43 -1.26 -1.85 118.68 124.63 1x4h s LEU 42 Ca 0.90 1.11 -0.22 0.00 -1.03 0.00 0.00 54.13 54.89 1x4h s LEU 42 Cb -0.83 -2.98 -0.21 0.00 0.03 0.00 0.00 46.19 42.20 1x4h s LEU 42 CO 0.52 -0.05 1.15 0.50 0.23 0.00 0.00 176.35 178.69 1x4h h LYS 43 N 6.53 0.30 -2.24 1.70 1.63 -1.09 -3.48 116.57 119.92 1x4h h LYS 43 Ca -0.42 -0.26 -0.07 0.00 -0.85 0.00 0.00 60.65 59.05 1x4h h LYS 43 Cb 1.19 0.06 -0.21 0.00 -0.60 0.00 0.00 32.23 32.68 1x4h h LYS 43 CO 0.74 0.92 0.05 1.52 -3.45 0.00 0.00 179.45 179.23 1x4h s TYR 44 N -3.51 -0.61 -0.13 1.91 -0.85 -1.25 -5.00 117.35 107.91 1x4h s TYR 44 Ca -0.15 1.28 -0.01 0.00 -0.52 0.00 0.00 57.07 57.67 1x4h s TYR 44 Cb 0.03 0.29 0.03 0.00 0.38 0.00 0.00 41.96 42.69 1x4h s TYR 44 CO 0.77 -0.45 -0.04 0.54 -1.52 0.00 0.00 175.55 174.85 1x4h s VAL 45 N -0.49 0.89 -0.04 -3.49 0.11 -1.26 -1.65 120.40 114.48 1x4h s VAL 45 Ca -0.06 -0.35 0.02 0.00 -2.93 0.00 0.00 61.98 58.65 1x4h s VAL 45 Cb -0.03 -1.03 0.01 0.00 -1.53 0.00 0.00 36.38 33.80 1x4h s VAL 45 CO 0.05 0.22 -0.07 -0.60 -3.33 0.00 0.00 175.10 171.37 1x4h s ARG 46 N 1.74 0.97 -0.28 1.54 3.52 -0.46 -5.01 118.95 120.96 1x4h s ARG 46 Ca 0.03 -0.22 0.01 0.00 -0.13 0.00 0.00 55.73 55.43 1x4h s ARG 46 Cb -0.14 -0.91 0.06 0.00 -1.56 0.00 0.00 34.95 32.41 1x4h s ARG 46 CO -0.07 0.01 -0.05 0.54 -0.81 0.00 0.00 175.30 174.91 1x4h s VAL 47 N 0.58 2.50 0.07 7.11 0.11 -1.26 -0.73 120.40 128.78 1x4h s VAL 47 Ca -0.09 -1.60 -0.31 0.00 -2.93 0.00 0.00 61.98 57.05 1x4h s VAL 47 Cb -0.12 -2.49 -0.10 0.00 -1.53 0.00 0.00 36.38 32.14 1x4h s VAL 47 CO 0.01 -0.11 1.92 0.55 -3.33 0.00 0.00 175.10 174.14 1x4h n VAL 48 N 4.49 0.59 -3.53 2.04 3.14 -1.25 -4.96 118.33 118.86 1x4h n VAL 48 Ca -0.12 -0.11 -0.19 0.00 -2.96 0.00 0.00 64.34 60.96 1x4h n VAL 48 Cb 0.42 -2.22 -0.01 0.00 -1.06 0.00 0.00 33.84 30.97 1x4h n VAL 48 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1x4h s LEU 49 N 3.70 3.99 0.29 6.55 1.43 -1.26 -2.92 118.68 130.46 1x4h s LEU 49 Ca 0.86 -0.18 -0.30 0.00 -1.03 0.00 0.00 54.13 53.49 1x4h s LEU 49 Cb -0.46 -2.74 -0.12 0.00 0.03 0.00 0.00 46.19 42.89 1x4h s LEU 49 CO 0.40 -0.40 1.42 1.57 0.23 0.00 0.00 176.35 179.57 1x4h n HIS 50 N -1.61 2.42 0.98 0.29 -0.00 -0.97 -4.74 115.22 111.59 1x4h n HIS 50 Ca -0.01 0.43 0.04 0.00 0.46 0.00 0.00 57.72 58.64 1x4h n HIS 50 Cb 0.58 -2.48 0.25 0.00 -0.12 0.00 0.00 29.99 28.22 1x4h n HIS 50 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1x4h n PRO 51 N 1.46 0.49 0.07 1.57 -0.04 -1.26 -3.73 135.00 133.56 1x4h n PRO 51 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1x4h n PRO 51 Cb 0.35 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 1x4h n PRO 51 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1x4h n ASP 52 N -0.77 0.37 -4.96 3.54 -0.08 -1.26 -5.12 116.55 108.27 1x4h n ASP 52 Ca 0.06 0.23 -0.20 0.00 -1.51 0.00 0.00 54.79 53.38 1x4h n ASP 52 Cb 0.03 0.02 0.05 0.00 2.34 0.00 0.00 41.12 43.56 1x4h n ASP 52 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1x4h s THR 53 N -2.00 2.41 -0.28 5.18 -4.23 -1.24 -5.02 115.64 110.45 1x4h s THR 53 Ca 0.00 -0.90 0.22 0.00 -1.18 0.00 0.00 61.69 59.83 1x4h s THR 53 Cb 0.00 -2.50 0.08 0.00 1.34 0.00 0.00 72.50 71.41 1x4h s THR 53 CO 0.00 0.00 1.18 -0.08 -0.54 0.00 0.00 174.62 175.18 1x4h h GLU 54 N 0.17 0.00 -6.76 3.99 4.81 -1.98 -3.30 114.58 111.51 1x4h h GLU 54 Ca -0.35 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.31 1x4h h GLU 54 Cb 1.28 0.00 0.17 0.00 0.63 0.00 0.00 28.75 30.83 1x4h h GLU 54 CO 0.43 0.02 -0.00 0.72 -0.73 0.00 0.00 179.01 179.44 1x4h n HIS 55 N -2.80 0.45 -1.34 0.92 8.25 -1.26 -4.63 115.22 114.81 1x4h n HIS 55 Ca 0.01 0.44 -0.34 0.00 -0.26 0.00 0.00 57.72 57.56 1x4h n HIS 55 Cb 0.56 -2.09 0.10 0.00 1.12 0.00 0.00 29.99 29.68 1x4h n HIS 55 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1x4h s SER 56 N -1.24 3.99 0.02 0.41 0.01 -1.26 -2.28 113.70 113.34 1x4h s SER 56 Ca 0.74 2.40 -0.14 0.00 1.31 0.00 0.00 55.95 60.26 1x4h s SER 56 Cb -0.42 -2.59 -0.35 0.00 0.21 0.00 0.00 66.02 62.87 1x4h s SER 56 CO 0.49 -2.40 0.95 0.50 0.41 0.00 0.00 173.24 173.18 1x4h h LYS 57 N -0.44 0.50 0.00 12.44 3.64 -1.82 -3.41 116.57 127.47 1x4h h LYS 57 Ca -0.47 -0.86 0.00 0.00 -1.27 0.00 0.00 60.65 58.05 1x4h h LYS 57 Cb 1.30 0.32 0.00 0.00 -0.41 0.00 0.00 32.23 33.44 1x4h h LYS 57 CO 0.49 1.41 0.00 0.41 -2.27 0.00 0.00 179.45 179.49 1x4h n GLY 58 N 1.73 -0.55 3.61 5.01 0.00 -1.26 -4.99 105.19 108.73 1x4h n GLY 58 Ca -0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 1x4h n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x4h s ALA 60 N -3.97 -1.03 -0.04 0.00 0.00 -0.37 -3.82 121.76 112.52 1x4h s ALA 60 Ca 0.17 0.13 0.07 0.00 0.00 0.00 0.00 51.96 52.32 1x4h s ALA 60 Cb -0.01 0.61 -0.01 0.00 0.00 0.00 0.00 23.12 23.70 1x4h s ALA 60 CO 0.06 -0.60 -0.24 -0.06 0.00 0.00 0.00 175.76 174.91 1x4h s PHE 61 N -3.40 2.28 0.22 0.00 0.40 0.09 -0.25 117.98 117.32 1x4h s PHE 61 Ca 0.00 -0.56 0.00 0.00 -0.60 0.00 0.00 56.93 55.77 1x4h s PHE 61 Cb 0.01 -1.48 -0.04 0.00 0.51 0.00 0.00 43.02 42.02 1x4h s PHE 61 CO -0.09 -0.13 0.14 0.00 0.70 0.00 0.00 175.22 175.84 1x4h s ALA 62 N -0.35 1.31 0.02 5.36 0.00 0.10 -1.36 121.76 126.85 1x4h s ALA 62 Ca 0.03 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.24 1x4h s ALA 62 Cb -0.12 1.36 -0.02 0.00 0.00 0.00 0.00 23.12 24.35 1x4h s ALA 62 CO 0.01 -0.58 -0.04 -1.14 0.00 0.00 0.00 175.76 174.01 1x4h s GLN 63 N -4.07 0.31 0.44 0.00 0.74 -0.66 -1.17 119.66 115.26 1x4h s GLN 63 Ca 0.39 -0.54 0.07 0.00 0.05 0.00 0.00 55.36 55.33 1x4h s GLN 63 Cb 0.07 0.00 -0.02 0.00 1.10 0.00 0.00 33.01 34.16 1x4h s GLN 63 CO 0.14 -0.02 0.33 -0.06 -0.55 0.00 0.00 175.29 175.13 1x4h s PHE 64 N -1.20 2.45 -0.13 1.67 0.40 -1.25 -0.63 117.98 119.29 1x4h s PHE 64 Ca -0.12 -0.59 0.21 0.00 -0.60 0.00 0.00 56.93 55.83 1x4h s PHE 64 Cb -0.08 -2.06 -0.19 0.00 0.51 0.00 0.00 43.02 41.20 1x4h s PHE 64 CO -0.01 -0.11 0.68 -1.33 0.70 0.00 0.00 175.22 175.15 1x4h n MET 65 N -1.51 0.64 -4.14 0.44 2.81 -0.77 -4.48 117.12 110.11 1x4h n MET 65 Ca 0.01 -0.01 -0.21 0.00 -1.81 0.00 0.00 57.70 55.68 1x4h n MET 65 Cb 0.63 -1.67 -0.16 0.00 -0.71 0.00 0.00 33.22 31.31 1x4h n MET 65 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1x4h s THR 66 N -3.29 0.56 0.24 2.03 -4.23 -1.26 -5.00 115.64 104.69 1x4h s THR 66 Ca -0.05 -0.12 -0.15 0.00 -1.18 0.00 0.00 61.69 60.19 1x4h s THR 66 Cb 0.11 -0.59 0.29 0.00 1.34 0.00 0.00 72.50 73.64 1x4h s THR 66 CO 0.85 0.24 1.56 1.56 -0.54 0.00 0.00 174.62 178.29 1x4h h GLN 67 N 7.29 -0.02 -1.03 3.99 4.20 -1.94 0.93 115.11 128.53 1x4h h GLN 67 Ca -0.36 0.00 0.27 0.00 0.06 0.00 0.00 58.65 58.62 1x4h h GLN 67 Cb 1.15 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.82 1x4h h GLN 67 CO 0.45 -0.01 0.63 1.49 -0.67 0.00 0.00 178.83 180.72 1x4h h GLU 68 N -0.02 0.47 0.12 1.46 4.57 -2.00 -2.11 114.58 117.08 1x4h h GLU 68 Ca 0.37 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.52 1x4h h GLU 68 Cb 0.62 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.09 1x4h h GLU 68 CO -0.95 0.31 -0.24 0.00 -1.18 0.00 0.00 179.01 176.95 1x4h h ALA 69 N 1.69 -0.83 -0.93 2.92 0.00 0.55 0.19 119.26 122.85 1x4h h ALA 69 Ca 0.64 -0.07 0.28 0.00 0.00 0.00 0.00 54.91 55.76 1x4h h ALA 69 Cb 1.41 0.58 -0.15 0.00 0.00 0.00 0.00 17.79 19.63 1x4h h ALA 69 CO -0.42 -0.87 0.32 0.00 0.00 0.00 0.00 179.25 178.28 1x4h h ALA 70 N -1.20 1.51 -0.42 0.00 0.00 -1.36 0.39 119.26 118.18 1x4h h ALA 70 Ca -0.01 0.24 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1x4h h ALA 70 Cb 0.37 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1x4h h ALA 70 CO -0.09 -0.55 0.07 1.96 0.00 0.00 0.00 179.25 180.63 1x4h h GLN 71 N 0.19 0.69 0.00 0.00 1.08 -1.19 -2.34 115.11 113.54 1x4h h GLN 71 Ca 0.63 -0.18 -0.00 0.00 -1.45 0.00 0.00 58.65 57.64 1x4h h GLN 71 Cb 1.37 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 28.72 1x4h h GLN 71 CO -0.69 0.73 -0.02 0.87 -0.95 0.00 0.00 178.83 178.77 1x4h h LYS 72 N 0.54 0.00 0.09 1.46 1.57 0.28 -1.44 116.57 119.08 1x4h h LYS 72 Ca 0.13 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.65 1x4h h LYS 72 Cb 0.37 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 1x4h h LYS 72 CO 0.01 0.02 -1.16 0.00 -0.57 0.00 0.00 179.45 177.75 1x4h h LEU 74 N 0.07 -0.28 -1.79 0.00 3.38 -0.97 -0.01 115.31 115.70 1x4h h LEU 74 Ca -0.10 0.01 0.54 0.00 0.09 0.00 0.00 57.88 58.42 1x4h h LEU 74 Cb 1.88 0.07 -0.09 0.00 0.09 0.00 0.00 40.66 42.61 1x4h h LEU 74 CO 0.18 -0.11 1.26 0.00 0.09 0.00 0.00 178.44 179.87 1x4h n ALA 75 N -2.31 1.73 0.04 1.53 0.00 -1.03 0.23 120.51 120.71 1x4h n ALA 75 Ca -0.04 0.70 -0.15 0.00 0.00 0.00 0.00 53.44 53.94 1x4h n ALA 75 Cb 0.13 -1.10 -0.14 0.00 0.00 0.00 0.00 19.45 18.34 1x4h n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x4h h ALA 76 N 1.13 0.37 0.00 0.00 0.00 -1.61 -3.31 119.26 115.84 1x4h h ALA 76 Ca 0.91 -1.18 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1x4h h ALA 76 Cb 3.48 0.33 0.00 0.00 0.00 0.00 0.00 17.79 21.60 1x4h h ALA 76 CO -0.13 1.23 0.00 0.00 0.00 0.00 0.00 179.25 180.35 1x4h h ALA 77 N 0.55 1.00 -2.60 0.00 0.00 0.50 -2.60 119.26 116.11 1x4h h ALA 77 Ca -0.26 0.00 -0.73 0.00 0.00 0.00 0.00 54.91 53.93 1x4h h ALA 77 Cb 2.00 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 19.52 1x4h h ALA 77 CO 0.14 0.00 -0.40 0.45 0.00 0.00 0.00 179.25 179.44 1x4h s SER 78 N -5.41 5.79 0.38 0.00 0.15 -0.06 -4.16 113.70 110.39 1x4h s SER 78 Ca 0.01 -1.64 0.19 0.00 0.70 0.00 0.00 55.95 55.20 1x4h s SER 78 Cb 0.09 -2.04 1.01 0.00 -1.71 0.00 0.00 66.02 63.37 1x4h s SER 78 CO 0.50 -0.64 1.51 0.17 1.20 0.00 0.00 173.24 175.99 1x4h h LEU 79 N 8.52 0.00 -0.30 3.45 8.10 -1.84 0.15 115.31 133.39 1x4h h LEU 79 Ca -0.24 0.00 -0.20 0.00 0.11 0.00 0.00 57.88 57.55 1x4h h LEU 79 Cb 1.09 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.31 1x4h h LEU 79 CO 0.84 0.00 -0.76 -0.08 -4.11 0.00 0.00 178.44 174.33 1x4h h GLU 80 N 0.00 0.55 0.00 0.17 4.57 -1.91 -3.43 114.58 114.53 1x4h h GLU 80 Ca 0.00 -0.46 -0.38 0.00 -1.18 0.00 0.00 59.36 57.35 1x4h h GLU 80 Cb 0.43 0.10 0.19 0.00 -0.16 0.00 0.00 28.75 29.30 1x4h h GLU 80 CO 0.00 1.08 0.12 0.00 -1.18 0.00 0.00 179.01 179.03 1x4h n ALA 81 N -2.55 -3.21 -2.83 2.92 0.00 0.53 -4.94 120.51 110.43 1x4h n ALA 81 Ca -0.06 -1.55 -0.43 0.00 0.00 0.00 0.00 53.44 51.41 1x4h n ALA 81 Cb 0.73 -0.11 0.01 0.00 0.00 0.00 0.00 19.45 20.08 1x4h n ALA 81 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1x4h n GLU 82 N -4.64 4.00 0.00 0.00 -0.58 -1.26 -4.56 120.64 113.59 1x4h n GLU 82 Ca 0.14 -4.16 0.00 0.00 -0.42 0.00 0.00 57.16 52.73 1x4h n GLU 82 Cb 0.56 -2.69 0.00 0.00 -0.57 0.00 0.00 31.44 28.73 1x4h n GLU 82 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x4h n GLY 83 N 2.20 -1.13 0.00 0.62 0.00 -1.26 -4.97 105.19 100.65 1x4h n GLY 83 Ca 0.31 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.61 1x4h n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4h n GLY 84 N -0.21 1.05 3.42 -0.02 0.00 -1.26 -5.01 105.19 103.17 1x4h n GLY 84 Ca 0.00 0.30 -0.47 0.00 0.00 0.00 0.00 46.02 45.85 1x4h n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4h n GLY 85 N 0.00 -1.61 3.88 -0.02 0.00 -0.99 -4.51 105.19 101.93 1x4h n GLY 85 Ca 0.00 0.33 -0.34 0.00 0.00 0.00 0.00 46.02 46.01 1x4h n GLY 85 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x4h s LEU 86 N 2.74 4.35 -0.04 0.99 1.02 -1.13 -4.92 118.68 121.69 1x4h s LEU 86 Ca 0.63 0.67 -0.03 0.00 0.02 0.00 0.00 54.13 55.42 1x4h s LEU 86 Cb -0.90 -2.88 0.02 0.00 0.02 0.00 0.00 46.19 42.45 1x4h s LEU 86 CO 0.57 0.20 0.10 -0.54 0.02 0.00 0.00 176.35 176.69 1x4h s LYS 87 N -1.92 0.10 -0.33 1.70 1.02 -1.26 -1.32 119.74 117.73 1x4h s LYS 87 Ca 0.31 0.18 0.04 0.00 0.02 0.00 0.00 55.97 56.52 1x4h s LYS 87 Cb -0.13 -0.00 0.10 0.00 -0.52 0.00 0.00 37.83 37.27 1x4h s LYS 87 CO 0.18 -0.05 0.04 -1.17 -0.92 0.00 0.00 175.35 173.43 1x4h s LEU 88 N 0.30 4.47 -1.00 3.17 2.96 -0.07 -4.68 118.68 123.83 1x4h s LEU 88 Ca -0.02 -2.05 0.00 0.00 -0.22 0.00 0.00 54.13 51.84 1x4h s LEU 88 Cb -0.03 -1.57 0.00 0.00 0.50 0.00 0.00 46.19 45.09 1x4h s LEU 88 CO -0.01 -0.36 0.00 0.47 -1.32 0.00 0.00 176.35 175.13 1x4h n ASP 89 N 4.31 -3.79 -0.29 3.68 8.00 -1.26 -3.34 116.55 123.87 1x4h n ASP 89 Ca 0.02 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.59 1x4h n ASP 89 Cb 0.42 -2.79 0.00 0.00 -0.02 0.00 0.00 41.12 38.73 1x4h n ASP 89 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x4h n GLY 90 N -1.21 0.97 3.07 0.44 0.00 -1.26 -5.09 105.19 102.12 1x4h n GLY 90 Ca -0.12 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 1x4h n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x4h s ARG 91 N -2.81 0.19 0.24 1.61 0.52 -1.21 -5.12 118.95 112.37 1x4h s ARG 91 Ca 0.00 0.79 -0.31 0.00 -0.52 0.00 0.00 55.73 55.69 1x4h s ARG 91 Cb 0.00 0.03 -0.12 0.00 0.52 0.00 0.00 34.95 35.39 1x4h s ARG 91 CO 0.00 -0.26 1.68 -0.65 0.02 0.00 0.00 175.30 176.09 1x4h s GLN 92 N 2.33 4.12 -0.50 3.54 -1.52 -1.26 -0.89 119.66 125.48 1x4h s GLN 92 Ca -0.01 2.60 -0.16 0.00 -1.95 0.00 0.00 55.36 55.85 1x4h s GLN 92 Cb -0.12 -3.06 0.09 0.00 -0.22 0.00 0.00 33.01 29.71 1x4h s GLN 92 CO -0.09 -0.72 0.44 -0.51 -0.25 0.00 0.00 175.29 174.16 1x4h s LEU 93 N 0.63 5.82 -0.64 2.90 1.43 -0.43 -4.56 118.68 123.82 1x4h s LEU 93 Ca 0.71 -1.49 -0.27 0.00 -1.03 0.00 0.00 54.13 52.06 1x4h s LEU 93 Cb -0.49 -2.20 0.04 0.00 0.03 0.00 0.00 46.19 43.57 1x4h s LEU 93 CO 0.37 -0.73 1.17 -0.54 0.23 0.00 0.00 176.35 176.85 1x4h s LYS 94 N 1.65 3.34 -0.21 1.70 1.02 -0.84 -4.70 119.74 121.70 1x4h s LYS 94 Ca 0.04 -0.10 -0.10 0.00 0.02 0.00 0.00 55.97 55.84 1x4h s LYS 94 Cb -0.26 -4.10 -0.05 0.00 -0.52 0.00 0.00 37.83 32.90 1x4h s LYS 94 CO 0.05 -1.83 0.13 0.08 -0.92 0.00 0.00 175.35 172.86 1x4h s VAL 95 N 5.00 5.30 -0.00 3.17 1.01 -1.25 0.12 120.40 133.75 1x4h s VAL 95 Ca 0.36 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.48 1x4h s VAL 95 Cb -0.09 -3.43 -0.00 0.00 0.00 0.00 0.00 36.38 32.86 1x4h s VAL 95 CO 0.19 0.42 0.02 -0.62 0.00 0.00 0.00 175.10 175.12 1x4h s ASP 96 N 0.51 0.04 -0.52 3.32 2.15 -0.20 -4.74 116.67 117.23 1x4h s ASP 96 Ca 0.07 -0.10 -0.26 0.00 0.43 0.00 0.00 52.55 52.69 1x4h s ASP 96 Cb -0.12 0.08 -0.06 0.00 -0.30 0.00 0.00 42.92 42.52 1x4h s ASP 96 CO -0.00 -0.11 2.32 -0.22 -0.17 0.00 0.00 175.17 176.99 1x4h s LEU 97 N -0.44 3.37 0.00 -1.34 1.98 -1.26 0.14 118.68 121.13 1x4h s LEU 97 Ca -0.05 0.92 -0.11 0.00 -2.89 0.00 0.00 54.13 52.00 1x4h s LEU 97 Cb -0.03 -2.51 0.17 0.00 0.66 0.00 0.00 46.19 44.48 1x4h s LEU 97 CO -0.00 -2.84 1.04 0.00 -1.89 0.00 0.00 176.35 172.66 1x4h n ALA 98 N 15.51 -1.03 -3.70 5.97 0.00 -1.25 -4.92 120.51 131.09 1x4h n ALA 98 Ca 0.34 -1.43 -0.24 0.00 0.00 0.00 0.00 53.44 52.11 1x4h n ALA 98 Cb 0.54 -0.02 -0.17 0.00 0.00 0.00 0.00 19.45 19.80 1x4h n ALA 98 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1x4h s VAL 99 N -3.22 0.17 -0.03 0.00 1.01 -1.26 -4.52 120.40 112.55 1x4h s VAL 99 Ca 0.60 -0.01 -0.14 0.00 0.00 0.00 0.00 61.98 62.43 1x4h s VAL 99 Cb -0.02 -0.55 -0.07 0.00 0.00 0.00 0.00 36.38 35.74 1x4h s VAL 99 CO 0.42 0.01 0.60 0.74 0.00 0.00 0.00 175.10 176.87 1x4h h THR 100 N 6.42 0.00 -2.18 3.92 2.02 -1.98 -3.42 112.91 117.69 1x4h h THR 100 Ca -0.16 -0.55 -0.56 0.00 0.77 0.00 0.00 66.41 65.92 1x4h h THR 100 Cb 1.13 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 1x4h h THR 100 CO 0.26 0.00 1.42 -0.60 0.37 0.00 0.00 175.52 176.97 1x4h s ARG 101 N -3.16 2.99 -0.02 6.66 6.06 -1.26 -4.94 118.95 125.28 1x4h s ARG 101 Ca -0.07 1.58 -0.00 0.00 -2.50 0.00 0.00 55.73 54.74 1x4h s ARG 101 Cb 0.01 -4.34 0.03 0.00 0.06 0.00 0.00 34.95 30.70 1x4h s ARG 101 CO 0.21 -2.26 0.03 0.16 -2.50 0.00 0.00 175.30 170.94 1x4h s ASP 102 N 8.10 0.09 -1.00 -2.12 1.47 -1.26 -5.07 116.67 116.88 1x4h s ASP 102 Ca 0.90 0.04 -0.02 0.00 1.18 0.00 0.00 52.55 54.64 1x4h s ASP 102 Cb -0.25 -0.08 0.30 0.00 -0.34 0.00 0.00 42.92 42.56 1x4h s ASP 102 CO 0.32 -0.13 1.43 -1.84 0.68 0.00 0.00 175.17 175.63 1x4h n GLU 103 N 4.20 4.35 -3.63 2.11 0.00 -1.26 -4.98 120.64 121.43 1x4h n GLU 103 Ca -0.28 -4.60 -0.40 0.00 0.00 0.00 0.00 57.16 51.88 1x4h n GLU 103 Cb 0.50 -2.46 -0.11 0.00 0.00 0.00 0.00 31.44 29.37 1x4h n GLU 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1x4h s ALA 104 N -3.04 3.23 -0.63 -1.84 0.00 -1.26 -5.05 121.76 113.18 1x4h s ALA 104 Ca 0.34 -1.94 -0.28 0.00 0.00 0.00 0.00 51.96 50.08 1x4h s ALA 104 Cb 0.09 -2.56 0.03 0.00 0.00 0.00 0.00 23.12 20.69 1x4h s ALA 104 CO 0.05 -1.51 1.20 0.00 0.00 0.00 0.00 175.76 175.50 1x4h s ALA 105 N 1.46 2.93 -0.41 0.00 0.00 -1.26 -4.97 121.76 119.51 1x4h s ALA 105 Ca 0.02 -1.02 -0.00 0.00 0.00 0.00 0.00 51.96 50.96 1x4h s ALA 105 Cb -0.21 -4.09 0.11 0.00 0.00 0.00 0.00 23.12 18.93 1x4h s ALA 105 CO 0.04 -2.84 0.18 -1.12 0.00 0.00 0.00 175.76 172.02 1x4h s SER 106 N 3.19 5.07 0.00 0.00 0.01 -1.26 -4.98 113.70 115.72 1x4h s SER 106 Ca 0.40 -2.17 0.00 0.00 1.31 0.00 0.00 55.95 55.48 1x4h s SER 106 Cb -0.08 -1.76 0.00 0.00 0.21 0.00 0.00 66.02 64.39 1x4h s SER 106 CO 0.22 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 174.01 1x4h n GLY 107 N 4.34 0.21 3.57 3.44 0.00 -1.26 -4.96 105.19 110.54 1x4h n GLY 107 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1x4h n GLY 107 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4h s PRO 108 N 0.15 2.95 0.50 1.61 0.04 -1.26 -4.97 135.00 134.02 1x4h s PRO 108 Ca 0.00 0.91 0.02 0.00 0.04 0.00 0.00 61.00 61.96 1x4h s PRO 108 Cb 0.00 -4.29 -0.02 0.00 0.04 0.00 0.00 34.50 30.23 1x4h s PRO 108 CO 0.00 -2.33 0.02 -1.54 0.04 0.00 0.00 177.00 173.18 1x4h s SER 109 N 7.02 3.98 -0.18 6.66 1.04 -1.26 -5.09 113.70 125.87 1x4h s SER 109 Ca 0.71 -1.64 -0.17 0.00 0.48 0.00 0.00 55.95 55.32 1x4h s SER 109 Cb -0.16 0.48 -0.13 0.00 0.10 0.00 0.00 66.02 66.31 1x4h s SER 109 CO 0.26 -0.84 0.09 -1.28 0.98 0.00 0.00 173.24 172.45 1x4h h SER 110 N 1.42 0.00 0.00 7.02 0.87 -2.05 -3.56 113.55 117.24 1x4h h SER 110 Ca -0.43 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 59.80 1x4h h SER 110 Cb 1.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 1x4h h SER 110 CO 0.73 1.19 0.00 0.61 -0.53 0.00 0.00 176.83 178.82