#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 6.47 -0.04 1.61 1.04 -1.26 -5.02 113.70 116.51 1x4h s SER 2 Ca 0.00 0.53 -0.24 0.00 0.48 0.00 0.00 55.95 56.72 1x4h s SER 2 Cb 0.00 -2.08 -0.21 0.00 0.10 0.00 0.00 66.02 63.83 1x4h s SER 2 CO 0.00 0.29 1.11 0.28 0.98 0.00 0.00 173.24 175.90 1x4h h SER 3 N 4.19 0.19 -3.55 7.02 0.02 -2.11 -3.49 113.55 115.81 1x4h h SER 3 Ca -0.51 -0.68 0.25 0.00 -0.84 0.00 0.00 61.79 60.01 1x4h h SER 3 Cb 1.20 -0.06 -0.06 0.00 0.14 0.00 0.00 62.40 63.62 1x4h h SER 3 CO 0.65 0.84 -0.35 0.61 -1.14 0.00 0.00 176.83 177.44 1x4h n GLY 4 N 0.77 -1.71 3.57 -3.77 0.00 -1.26 -5.04 105.19 97.75 1x4h n GLY 4 Ca -0.09 -1.29 -0.09 0.00 0.00 0.00 0.00 46.02 44.55 1x4h n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4h s SER 5 N -5.35 -0.41 0.02 1.61 1.04 -1.26 -5.18 113.70 104.17 1x4h s SER 5 Ca 0.00 -0.17 0.06 0.00 0.48 0.00 0.00 55.95 56.31 1x4h s SER 5 Cb 0.00 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.66 1x4h s SER 5 CO 0.00 -0.95 -0.17 -0.55 0.98 0.00 0.00 173.24 172.55 1x4h s SER 6 N -2.74 1.98 0.00 7.02 0.15 -1.26 -4.97 113.70 113.88 1x4h s SER 6 Ca 0.05 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.31 1x4h s SER 6 Cb -0.02 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 1x4h s SER 6 CO -0.06 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.13 1x4h n GLY 7 N 2.25 0.00 3.78 9.45 0.00 -1.26 -5.16 105.19 114.26 1x4h n GLY 7 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 1x4h n GLY 7 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1x4h s LEU 8 N 0.00 3.83 -0.57 0.99 2.34 -1.26 -4.94 118.68 119.07 1x4h s LEU 8 Ca 0.00 2.10 -0.27 0.00 0.06 0.00 0.00 54.13 56.02 1x4h s LEU 8 Cb 0.00 -4.51 -0.02 0.00 -0.56 0.00 0.00 46.19 41.10 1x4h s LEU 8 CO 0.00 -0.99 1.84 -2.16 -1.06 0.00 0.00 176.35 173.98 1x4h s PRO 9 N -3.16 2.73 -0.09 1.48 0.04 -1.26 -4.92 135.00 129.82 1x4h s PRO 9 Ca 0.69 0.71 -0.38 0.00 0.04 0.00 0.00 61.00 62.06 1x4h s PRO 9 Cb -0.22 -4.36 -0.16 0.00 0.04 0.00 0.00 34.50 29.80 1x4h s PRO 9 CO 0.25 -2.61 1.53 0.43 0.04 0.00 0.00 177.00 176.65 1x4h n SER 10 N 12.38 1.97 -3.85 6.66 7.64 -1.26 -4.94 113.62 132.21 1x4h n SER 10 Ca 0.21 1.10 -0.09 0.00 1.01 0.00 0.00 58.87 61.09 1x4h n SER 10 Cb 0.51 -1.16 -0.05 0.00 -1.01 0.00 0.00 64.21 62.51 1x4h n SER 10 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1x4h s ASP 11 N 1.94 -0.17 0.60 6.43 1.11 -1.26 -5.01 116.67 120.32 1x4h s ASP 11 Ca 0.91 -0.67 0.28 0.00 0.18 0.00 0.00 52.55 53.25 1x4h s ASP 11 Cb -1.02 0.57 1.16 0.00 1.07 0.00 0.00 42.92 44.70 1x4h s ASP 11 CO 0.56 -1.08 1.54 1.62 1.18 0.00 0.00 175.17 179.00 1x4h h VAL 12 N 2.25 0.13 -4.03 -1.27 3.04 -2.06 -3.41 116.25 110.90 1x4h h VAL 12 Ca -0.28 0.00 -0.54 0.00 -1.01 0.00 0.00 66.70 64.87 1x4h h VAL 12 Cb 1.25 0.25 0.13 0.00 -2.01 0.00 0.00 31.29 30.90 1x4h h VAL 12 CO 0.37 0.00 0.61 -0.89 -1.01 0.00 0.00 177.57 176.65 1x4h s THR 13 N -4.51 2.19 -0.93 3.17 2.01 -1.26 -4.87 115.64 111.44 1x4h s THR 13 Ca -0.03 0.15 -0.24 0.00 0.31 0.00 0.00 61.69 61.87 1x4h s THR 13 Cb 0.15 -3.08 -0.01 0.00 0.01 0.00 0.00 72.50 69.57 1x4h s THR 13 CO 0.50 0.00 1.78 -0.70 -0.69 0.00 0.00 174.62 175.51 1x4h s GLU 14 N -2.82 2.90 -0.43 4.92 2.56 -1.26 -4.79 118.70 119.79 1x4h s GLU 14 Ca 0.69 -0.54 0.05 0.00 0.00 0.00 0.00 54.97 55.17 1x4h s GLU 14 Cb -0.40 -5.14 0.43 0.00 2.00 0.00 0.00 34.13 31.03 1x4h s GLU 14 CO 0.47 -2.97 1.30 0.41 -0.56 0.00 0.00 175.26 173.91 1x4h n GLY 15 N 6.83 6.14 3.04 -1.50 0.00 -1.26 -4.98 105.19 113.45 1x4h n GLY 15 Ca 0.37 -2.66 -0.31 0.00 0.00 0.00 0.00 46.02 43.42 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 -3.63 2.42 0.09 1.61 1.02 -1.26 -4.93 119.74 115.06 1x4h s LYS 16 Ca 0.51 -0.72 -0.01 0.00 0.02 0.00 0.00 55.97 55.77 1x4h s LYS 16 Cb 0.42 -2.32 -0.04 0.00 -0.52 0.00 0.00 37.83 35.36 1x4h s LYS 16 CO -0.09 -0.28 0.01 0.99 -0.92 0.00 0.00 175.35 175.06 1x4h s THR 17 N 1.40 0.16 -0.25 2.17 2.01 -1.26 -4.20 115.64 115.67 1x4h s THR 17 Ca 0.03 -1.86 -0.07 0.00 0.31 0.00 0.00 61.69 60.10 1x4h s THR 17 Cb -0.14 -1.77 0.12 0.00 0.01 0.00 0.00 72.50 70.72 1x4h s THR 17 CO -0.11 -0.75 0.52 0.68 -0.69 0.00 0.00 174.62 174.28 1x4h s VAL 18 N -3.98 -0.82 -0.15 3.82 -7.23 -0.80 -4.06 120.40 107.18 1x4h s VAL 18 Ca 0.15 0.07 -0.03 0.00 -1.81 0.00 0.00 61.98 60.36 1x4h s VAL 18 Cb 0.08 -0.84 -0.02 0.00 0.56 0.00 0.00 36.38 36.15 1x4h s VAL 18 CO -0.04 0.02 -0.06 0.12 -0.31 0.00 0.00 175.10 174.83 1x4h s PHE 19 N 2.74 2.97 -0.19 2.82 5.36 0.97 -0.61 117.98 132.05 1x4h s PHE 19 Ca -0.00 -0.41 -0.08 0.00 -0.96 0.00 0.00 56.93 55.48 1x4h s PHE 19 Cb -0.13 -1.94 -0.04 0.00 -0.34 0.00 0.00 43.02 40.57 1x4h s PHE 19 CO -0.16 -0.10 0.07 0.42 -1.46 0.00 0.00 175.22 173.99 1x4h s ILE 20 N 0.42 4.84 0.21 3.12 1.09 0.47 -1.13 121.20 130.22 1x4h s ILE 20 Ca -0.05 -0.01 0.11 0.00 -1.10 0.00 0.00 60.65 59.60 1x4h s ILE 20 Cb -0.15 -3.19 -0.05 0.00 -1.06 0.00 0.00 42.46 38.02 1x4h s ILE 20 CO 0.03 0.46 -0.23 -0.13 -0.10 0.00 0.00 174.94 174.96 1x4h s ARG 21 N 0.40 1.54 -0.62 2.79 0.52 0.43 -1.65 118.95 122.36 1x4h s ARG 21 Ca 0.04 -1.56 -0.03 0.00 -0.52 0.00 0.00 55.73 53.66 1x4h s ARG 21 Cb -0.12 -1.83 0.00 0.00 0.52 0.00 0.00 34.95 33.52 1x4h s ARG 21 CO 0.00 0.39 0.54 -1.71 0.02 0.00 0.00 175.30 174.54 1x4h n ASN 22 N 0.14 -3.34 -4.82 0.23 5.15 -0.82 -1.65 115.26 110.16 1x4h n ASN 22 Ca -0.11 -0.27 -0.33 0.00 -0.60 0.00 0.00 54.58 53.26 1x4h n ASN 22 Cb 0.57 -2.69 -0.06 0.00 -0.53 0.00 0.00 39.78 37.07 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 -4.05 3.87 0.13 1.20 1.43 -0.41 -4.61 118.68 116.23 1x4h s LEU 23 Ca 0.18 1.72 -0.24 0.00 -1.03 0.00 0.00 54.13 54.76 1x4h s LEU 23 Cb -0.08 -4.54 -0.07 0.00 0.03 0.00 0.00 46.19 41.53 1x4h s LEU 23 CO 0.35 -0.49 0.72 -0.94 0.23 0.00 0.00 176.35 176.21 1x4h s SER 24 N -2.28 7.29 0.24 2.29 1.04 -1.26 -4.58 113.70 116.43 1x4h s SER 24 Ca 0.63 1.52 0.13 0.00 0.48 0.00 0.00 55.95 58.71 1x4h s SER 24 Cb -0.11 -2.46 0.73 0.00 0.10 0.00 0.00 66.02 64.28 1x4h s SER 24 CO 0.17 0.21 1.36 0.49 0.98 0.00 0.00 173.24 176.45 1x4h n PHE 25 N 1.74 0.45 -0.00 5.02 3.72 -1.26 0.02 117.46 127.16 1x4h n PHE 25 Ca -0.07 0.24 -0.03 0.00 -0.05 0.00 0.00 57.45 57.55 1x4h n PHE 25 Cb 0.49 -0.79 -0.11 0.00 -0.94 0.00 0.00 39.48 38.12 1x4h n PHE 25 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1x4h n ASP 26 N -1.98 0.65 -4.56 4.37 2.03 -1.26 -4.68 116.55 111.12 1x4h n ASP 26 Ca -0.01 0.29 -0.37 0.00 0.52 0.00 0.00 54.79 55.23 1x4h n ASP 26 Cb 0.14 0.41 0.07 0.00 -0.72 0.00 0.00 41.12 41.01 1x4h n ASP 26 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1x4h n SER 27 N -2.84 -0.00 -3.97 1.67 2.88 0.10 -5.02 113.62 106.44 1x4h n SER 27 Ca -0.15 0.70 -0.15 0.00 -1.33 0.00 0.00 58.87 57.94 1x4h n SER 27 Cb 0.91 -1.33 -0.14 0.00 -0.75 0.00 0.00 64.21 62.91 1x4h n SER 27 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1x4h s GLU 28 N -2.89 0.40 0.29 -1.46 2.02 -1.26 -4.95 118.70 110.85 1x4h s GLU 28 Ca 0.72 -0.29 0.14 0.00 0.02 0.00 0.00 54.97 55.56 1x4h s GLU 28 Cb -0.38 -0.33 1.01 0.00 0.10 0.00 0.00 34.13 34.54 1x4h s GLU 28 CO 0.51 0.08 1.29 -1.91 0.02 0.00 0.00 175.26 175.25 1x4h n GLU 29 N 2.62 -0.05 0.20 1.61 2.13 -1.26 -0.22 120.64 125.68 1x4h n GLU 29 Ca -0.15 1.14 -0.08 0.00 0.66 0.00 0.00 57.16 58.73 1x4h n GLU 29 Cb 0.58 -2.01 -0.04 0.00 0.27 0.00 0.00 31.44 30.24 1x4h n GLU 29 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1x4h h GLU 30 N 0.00 -0.51 -0.98 5.31 4.22 -1.95 -0.80 114.58 119.87 1x4h h GLU 30 Ca 0.66 0.03 0.23 0.00 0.08 0.00 0.00 59.36 60.36 1x4h h GLU 30 Cb 1.69 0.12 -0.08 0.00 0.50 0.00 0.00 28.75 30.97 1x4h h GLU 30 CO -0.65 -0.34 0.63 0.00 -2.18 0.00 0.00 179.01 176.47 1x4h h ALA 31 N -1.66 2.17 0.20 2.92 0.00 -1.19 0.80 119.26 122.50 1x4h h ALA 31 Ca -0.05 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1x4h h ALA 31 Cb 0.40 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1x4h h ALA 31 CO 0.09 -0.51 -0.10 1.25 0.00 0.00 0.00 179.25 179.98 1x4h h LEU 32 N 0.44 -0.23 -0.37 0.00 6.46 -0.53 -2.91 115.31 118.17 1x4h h LEU 32 Ca 0.53 -0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 58.09 1x4h h LEU 32 Cb 1.29 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 41.26 1x4h h LEU 32 CO -0.24 0.06 0.18 1.23 -0.62 0.00 0.00 178.44 179.05 1x4h h GLY 33 N -0.54 0.56 1.57 3.75 0.00 0.05 -1.93 103.07 106.54 1x4h h GLY 33 Ca -0.03 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1x4h h GLY 33 CO 0.05 0.26 0.21 0.83 0.00 0.00 0.00 176.54 177.89 1x4h h GLU 34 N 0.46 0.00 0.12 4.80 4.39 -0.92 0.33 114.58 123.75 1x4h h GLU 34 Ca 0.13 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.60 1x4h h GLU 34 Cb 0.11 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1x4h h GLU 34 CO -0.02 0.00 -1.08 0.28 -1.16 0.00 0.00 179.01 177.04 1x4h h VAL 35 N 0.00 1.28 0.00 3.13 2.07 -1.15 -3.35 116.25 118.24 1x4h h VAL 35 Ca 0.00 -2.46 -0.09 0.00 0.82 0.00 0.00 66.70 64.97 1x4h h VAL 35 Cb 0.41 2.95 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 1x4h h VAL 35 CO 0.00 0.69 -0.45 -0.07 0.02 0.00 0.00 177.57 177.76 1x4h h LEU 36 N -0.39 0.00 -1.89 2.57 3.38 -0.95 -3.18 115.31 114.86 1x4h h LEU 36 Ca -0.22 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.80 1x4h h LEU 36 Cb 1.66 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.40 1x4h h LEU 36 CO 0.09 0.45 0.19 1.56 0.09 0.00 0.00 178.44 180.82 1x4h h GLN 37 N 0.00 0.14 -0.96 1.13 4.20 -0.55 -1.62 115.11 117.45 1x4h h GLN 37 Ca -0.00 -0.01 0.20 0.00 0.06 0.00 0.00 58.65 58.90 1x4h h GLN 37 Cb 1.20 -0.03 -0.09 0.00 0.30 0.00 0.00 27.48 28.86 1x4h h GLN 37 CO 0.06 0.09 0.62 -0.56 -0.67 0.00 0.00 178.83 178.36 1x4h h GLN 38 N 0.14 0.54 0.03 1.46 3.07 -1.68 -1.00 115.11 117.66 1x4h h GLN 38 Ca 0.12 -0.03 -0.19 0.00 0.09 0.00 0.00 58.65 58.64 1x4h h GLN 38 Cb 0.32 -0.12 0.02 0.00 0.08 0.00 0.00 27.48 27.77 1x4h h GLN 38 CO -0.02 0.36 -0.75 0.74 0.09 0.00 0.00 178.83 179.25 1x4h h PHE 39 N 0.56 0.70 -1.90 0.06 0.04 -1.52 -3.49 116.94 111.39 1x4h h PHE 39 Ca 0.53 -0.40 0.24 0.00 2.80 0.00 0.00 57.97 61.14 1x4h h PHE 39 Cb 1.10 -0.07 -0.11 0.00 2.20 0.00 0.00 35.95 39.07 1x4h h PHE 39 CO -0.00 1.24 0.65 0.20 -0.60 0.00 0.00 178.31 179.80 1x4h s GLY 40 N -4.19 -0.33 0.00 -1.45 0.00 -0.38 -4.93 107.32 96.04 1x4h s GLY 40 Ca -0.12 0.50 -0.30 0.00 0.00 0.00 0.00 44.72 44.80 1x4h s GLY 40 CO 0.85 0.10 1.87 0.99 0.00 0.00 0.00 173.10 176.91 1x4h s ASP 41 N -2.89 6.51 -0.13 1.64 1.01 -1.26 -4.04 116.67 117.50 1x4h s ASP 41 Ca 0.13 2.52 -0.28 0.00 0.71 0.00 0.00 52.55 55.63 1x4h s ASP 41 Cb 0.01 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.40 1x4h s ASP 41 CO -0.01 -1.02 0.95 -0.76 0.21 0.00 0.00 175.17 174.53 1x4h s LEU 42 N 4.36 4.22 0.08 1.23 1.43 -1.26 -1.44 118.68 127.29 1x4h s LEU 42 Ca 0.84 1.40 -0.19 0.00 -1.03 0.00 0.00 54.13 55.15 1x4h s LEU 42 Cb -0.39 -3.44 -0.10 0.00 0.03 0.00 0.00 46.19 42.29 1x4h s LEU 42 CO 0.38 -0.44 1.49 0.50 0.23 0.00 0.00 176.35 178.50 1x4h h LYS 43 N 7.18 0.42 -1.85 1.70 1.63 -0.52 -3.46 116.57 121.67 1x4h h LYS 43 Ca -0.30 -0.15 0.02 0.00 -0.85 0.00 0.00 60.65 59.37 1x4h h LYS 43 Cb 1.14 -0.03 -0.23 0.00 -0.60 0.00 0.00 32.23 32.51 1x4h h LYS 43 CO 0.86 0.63 0.21 1.52 -3.45 0.00 0.00 179.45 179.22 1x4h s TYR 44 N -4.86 -0.75 -0.21 1.91 -0.85 -1.21 -4.99 117.35 106.39 1x4h s TYR 44 Ca -0.14 1.70 0.01 0.00 -0.52 0.00 0.00 57.07 58.12 1x4h s TYR 44 Cb 0.07 0.38 0.05 0.00 0.38 0.00 0.00 41.96 42.84 1x4h s TYR 44 CO 0.75 -0.36 -0.08 0.54 -1.52 0.00 0.00 175.55 174.87 1x4h s VAL 45 N 0.73 1.60 -0.03 -3.49 0.11 -1.26 -0.74 120.40 117.32 1x4h s VAL 45 Ca -0.02 -1.11 0.06 0.00 -2.93 0.00 0.00 61.98 57.98 1x4h s VAL 45 Cb -0.05 -1.76 -0.01 0.00 -1.53 0.00 0.00 36.38 33.03 1x4h s VAL 45 CO -0.07 0.05 -0.22 -0.60 -3.33 0.00 0.00 175.10 170.93 1x4h s ARG 46 N 1.39 1.92 -0.16 1.54 3.52 0.54 -4.98 118.95 122.72 1x4h s ARG 46 Ca -0.03 -0.77 0.01 0.00 -0.13 0.00 0.00 55.73 54.80 1x4h s ARG 46 Cb -0.17 -1.77 0.00 0.00 -1.56 0.00 0.00 34.95 31.45 1x4h s ARG 46 CO -0.07 0.41 -0.18 0.54 -0.81 0.00 0.00 175.30 175.19 1x4h s VAL 47 N -0.34 2.43 0.01 7.11 0.11 -1.26 0.08 120.40 128.54 1x4h s VAL 47 Ca 0.04 -0.85 -0.30 0.00 -2.93 0.00 0.00 61.98 57.94 1x4h s VAL 47 Cb -0.10 -2.01 -0.05 0.00 -1.53 0.00 0.00 36.38 32.69 1x4h s VAL 47 CO 0.01 0.52 1.33 0.54 -3.33 0.00 0.00 175.10 174.17 1x4h s VAL 48 N 0.90 3.82 0.32 2.04 0.11 -1.23 -4.99 120.40 121.37 1x4h s VAL 48 Ca -0.04 1.23 0.10 0.00 -2.93 0.00 0.00 61.98 60.33 1x4h s VAL 48 Cb -0.15 -3.79 -0.05 0.00 -1.53 0.00 0.00 36.38 30.86 1x4h s VAL 48 CO -0.02 0.02 -0.05 -0.76 -3.33 0.00 0.00 175.10 170.96 1x4h s LEU 49 N 2.01 2.88 0.31 2.54 1.43 -1.26 -2.70 118.68 123.89 1x4h s LEU 49 Ca 0.62 -1.00 -0.29 0.00 -1.03 0.00 0.00 54.13 52.42 1x4h s LEU 49 Cb -0.30 -1.27 -0.12 0.00 0.03 0.00 0.00 46.19 44.52 1x4h s LEU 49 CO 0.26 -0.15 1.44 1.57 0.23 0.00 0.00 176.35 179.70 1x4h n HIS 50 N -0.85 2.53 0.97 0.29 -0.00 -0.80 -4.84 115.22 112.52 1x4h n HIS 50 Ca -0.05 0.42 0.04 0.00 0.46 0.00 0.00 57.72 58.59 1x4h n HIS 50 Cb 0.62 -2.50 0.26 0.00 -0.12 0.00 0.00 29.99 28.25 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 1.40 0.49 -0.00 1.57 -0.04 -1.26 -3.34 135.00 133.81 1x4h n PRO 51 Ca 0.07 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.50 1x4h n PRO 51 Cb 0.35 -1.29 -0.01 0.00 -0.04 0.00 0.00 33.50 32.52 1x4h n PRO 51 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1x4h n ASP 52 N -0.79 0.48 -4.51 3.54 8.00 -1.26 -5.09 116.55 116.92 1x4h n ASP 52 Ca 0.07 0.07 -0.25 0.00 0.71 0.00 0.00 54.79 55.39 1x4h n ASP 52 Cb 0.03 -0.17 -0.10 0.00 -0.02 0.00 0.00 41.12 40.86 1x4h n ASP 52 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1x4h s THR 53 N -2.07 2.06 -0.07 -3.53 -1.32 -1.21 -5.02 115.64 104.47 1x4h s THR 53 Ca -0.04 -2.18 -0.02 0.00 -1.21 0.00 0.00 61.69 58.23 1x4h s THR 53 Cb 0.01 -2.59 -0.06 0.00 -1.51 0.00 0.00 72.50 68.35 1x4h s THR 53 CO 0.06 -0.23 2.61 1.21 -2.21 0.00 0.00 174.62 176.06 1x4h n GLU 54 N -0.73 1.54 -3.87 7.08 2.13 -1.26 -3.34 120.64 122.19 1x4h n GLU 54 Ca -0.05 -0.70 -0.35 0.00 0.66 0.00 0.00 57.16 56.71 1x4h n GLU 54 Cb 0.63 -1.50 -0.10 0.00 0.27 0.00 0.00 31.44 30.75 1x4h n GLU 54 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1x4h s HIS 55 N -0.02 3.25 0.20 4.31 3.76 -1.26 -4.94 115.29 120.59 1x4h s HIS 55 Ca 0.31 0.06 -0.32 0.00 -0.15 0.00 0.00 55.06 54.95 1x4h s HIS 55 Cb 0.17 -2.15 -0.15 0.00 1.11 0.00 0.00 32.58 31.56 1x4h s HIS 55 CO -0.02 0.07 1.31 0.43 -0.85 0.00 0.00 174.74 175.68 1x4h n SER 56 N 3.91 2.13 0.19 1.40 7.64 -1.26 -1.91 113.62 125.72 1x4h n SER 56 Ca -0.16 1.14 0.13 0.00 1.01 0.00 0.00 58.87 60.99 1x4h n SER 56 Cb 0.52 -1.33 0.36 0.00 -1.01 0.00 0.00 64.21 62.75 1x4h n SER 56 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1x4h h LYS 57 N 3.99 0.00 0.00 1.43 1.57 -1.84 -3.45 116.57 118.26 1x4h h LYS 57 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1x4h h LYS 57 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1x4h h LYS 57 CO 0.74 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 180.03 1x4h n GLY 58 N 0.85 1.44 3.79 3.86 0.00 -1.26 -5.00 105.19 108.87 1x4h n GLY 58 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.76 -1.74 -0.03 0.00 0.00 -0.66 -3.51 121.76 112.06 1x4h s ALA 60 Ca 0.10 0.94 0.07 0.00 0.00 0.00 0.00 51.96 53.07 1x4h s ALA 60 Cb -0.04 0.38 -0.02 0.00 0.00 0.00 0.00 23.12 23.44 1x4h s ALA 60 CO 0.04 -0.61 -0.25 -0.06 0.00 0.00 0.00 175.76 174.87 1x4h s PHE 61 N -2.75 2.31 0.27 0.00 0.40 0.11 -0.39 117.98 117.93 1x4h s PHE 61 Ca -0.00 -0.51 0.03 0.00 -0.60 0.00 0.00 56.93 55.84 1x4h s PHE 61 Cb -0.01 -1.49 -0.04 0.00 0.51 0.00 0.00 43.02 41.99 1x4h s PHE 61 CO -0.06 -0.09 0.18 0.00 0.70 0.00 0.00 175.22 175.95 1x4h s ALA 62 N -0.46 1.61 -0.02 5.36 0.00 0.22 -0.34 121.76 128.13 1x4h s ALA 62 Ca 0.06 -1.83 -0.03 0.00 0.00 0.00 0.00 51.96 50.16 1x4h s ALA 62 Cb -0.11 1.34 0.00 0.00 0.00 0.00 0.00 23.12 24.35 1x4h s ALA 62 CO 0.00 -0.58 0.07 -1.14 0.00 0.00 0.00 175.76 174.12 1x4h s GLN 63 N -3.85 0.21 0.29 0.00 0.74 0.09 -1.91 119.66 115.22 1x4h s GLN 63 Ca 0.38 -0.11 0.07 0.00 0.05 0.00 0.00 55.36 55.75 1x4h s GLN 63 Cb 0.05 0.09 -0.03 0.00 1.10 0.00 0.00 33.01 34.22 1x4h s GLN 63 CO 0.18 -0.04 0.31 -0.06 -0.55 0.00 0.00 175.29 175.13 1x4h s PHE 64 N -0.49 3.10 -0.17 1.67 0.08 -1.26 0.16 117.98 121.07 1x4h s PHE 64 Ca -0.06 -0.18 0.16 0.00 0.12 0.00 0.00 56.93 56.97 1x4h s PHE 64 Cb -0.04 -1.67 0.05 0.00 -0.57 0.00 0.00 43.02 40.79 1x4h s PHE 64 CO 0.00 0.30 1.36 0.52 -0.10 0.00 0.00 175.22 177.29 1x4h h MET 65 N 1.24 0.00 -4.25 0.44 2.86 -1.59 -3.41 114.93 110.23 1x4h h MET 65 Ca -0.47 0.00 -0.41 0.00 -2.06 0.00 0.00 59.70 56.76 1x4h h MET 65 Cb 1.25 0.00 -0.32 0.00 0.06 0.00 0.00 31.60 32.58 1x4h h MET 65 CO 0.58 0.43 -0.78 0.95 1.06 0.00 0.00 176.91 179.16 1x4h s THR 66 N -2.98 0.63 0.37 2.22 -4.23 -1.26 -5.02 115.64 105.37 1x4h s THR 66 Ca 0.03 -0.22 0.14 0.00 -1.18 0.00 0.00 61.69 60.45 1x4h s THR 66 Cb 0.08 -0.60 0.36 0.00 1.34 0.00 0.00 72.50 73.67 1x4h s THR 66 CO 0.75 0.23 1.81 -0.61 -0.54 0.00 0.00 174.62 176.25 1x4h h GLN 67 N 6.79 0.51 0.00 3.99 -0.00 -1.91 0.56 115.11 125.05 1x4h h GLN 67 Ca -0.35 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.26 1x4h h GLN 67 Cb 1.16 -0.11 -0.00 0.00 0.00 0.00 0.00 27.48 28.53 1x4h h GLN 67 CO 0.48 0.34 -0.04 1.49 0.00 0.00 0.00 178.83 181.10 1x4h h GLU 68 N 0.52 0.00 0.07 1.69 4.81 -1.99 -2.68 114.58 117.01 1x4h h GLU 68 Ca 0.54 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.77 1x4h h GLU 68 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1x4h h GLU 68 CO -0.28 0.04 -0.03 0.00 -0.73 0.00 0.00 179.01 178.01 1x4h h ALA 69 N 1.96 -0.10 -0.99 2.92 0.00 -0.22 -2.57 119.26 120.26 1x4h h ALA 69 Ca -0.00 -0.27 0.14 0.00 0.00 0.00 0.00 54.91 54.79 1x4h h ALA 69 Cb 0.10 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.84 1x4h h ALA 69 CO 0.00 -0.25 0.61 0.00 0.00 0.00 0.00 179.25 179.61 1x4h h ALA 70 N 0.12 1.54 -0.43 0.00 0.00 -1.41 -1.01 119.26 118.08 1x4h h ALA 70 Ca -0.01 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1x4h h ALA 70 Cb 0.57 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1x4h h ALA 70 CO 0.02 0.12 -0.01 1.96 0.00 0.00 0.00 179.25 181.33 1x4h h GLN 71 N 0.90 0.77 0.00 0.00 1.08 -1.54 -2.66 115.11 113.66 1x4h h GLN 71 Ca 0.52 -0.25 -0.01 0.00 -1.45 0.00 0.00 58.65 57.46 1x4h h GLN 71 Cb 0.63 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.99 1x4h h GLN 71 CO -0.31 0.85 -0.05 0.87 -0.95 0.00 0.00 178.83 179.24 1x4h h LYS 72 N 0.61 0.00 -0.19 1.46 1.57 -0.79 -2.35 116.57 116.88 1x4h h LYS 72 Ca 0.12 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.79 1x4h h LYS 72 Cb 0.50 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 1x4h h LYS 72 CO 0.02 0.05 -0.32 0.00 -0.57 0.00 0.00 179.45 178.64 1x4h h LEU 74 N 0.21 -0.51 -1.73 0.00 3.38 -1.14 0.81 115.31 116.32 1x4h h LEU 74 Ca 0.01 0.03 0.42 0.00 0.09 0.00 0.00 57.88 58.43 1x4h h LEU 74 Cb 0.90 0.15 -0.09 0.00 0.09 0.00 0.00 40.66 41.72 1x4h h LEU 74 CO 0.07 -0.30 0.97 0.00 0.09 0.00 0.00 178.44 179.27 1x4h h ALA 75 N -1.57 3.07 0.00 1.53 0.00 -1.62 1.50 119.26 122.16 1x4h h ALA 75 Ca -0.04 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1x4h h ALA 75 Cb 0.38 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1x4h h ALA 75 CO 0.03 -1.56 -1.09 0.00 0.00 0.00 0.00 179.25 176.63 1x4h h ALA 76 N 1.39 0.63 0.00 0.00 0.00 -1.29 -3.32 119.26 116.67 1x4h h ALA 76 Ca 0.74 -0.80 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 1x4h h ALA 76 Cb 2.63 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 20.52 1x4h h ALA 76 CO -0.17 0.95 -0.70 0.00 0.00 0.00 0.00 179.25 179.33 1x4h h ALA 77 N 1.33 0.78 -2.67 0.00 0.00 0.90 -2.40 119.26 117.20 1x4h h ALA 77 Ca -0.10 -0.64 -0.65 0.00 0.00 0.00 0.00 54.91 53.52 1x4h h ALA 77 Cb 1.60 -0.11 -0.16 0.00 0.00 0.00 0.00 17.79 19.11 1x4h h ALA 77 CO 0.07 0.88 -0.30 0.45 0.00 0.00 0.00 179.25 180.34 1x4h s SER 78 N -6.75 6.18 0.22 0.00 0.15 0.10 -3.49 113.70 110.12 1x4h s SER 78 Ca -0.00 -0.06 0.20 0.00 0.70 0.00 0.00 55.95 56.78 1x4h s SER 78 Cb 0.11 -2.19 0.91 0.00 -1.71 0.00 0.00 66.02 63.15 1x4h s SER 78 CO 0.77 -0.26 1.61 0.00 1.20 0.00 0.00 173.24 176.56 1x4h n LEU 79 N 5.33 0.50 -1.00 3.45 -0.00 -1.19 -1.18 117.00 122.91 1x4h n LEU 79 Ca -0.10 0.66 0.10 0.00 -0.00 0.00 0.00 56.01 56.68 1x4h n LEU 79 Cb 0.50 -0.64 0.26 0.00 -0.00 0.00 0.00 43.42 43.55 1x4h n LEU 79 CO 0.38 -0.64 0.72 -1.84 -0.00 0.00 0.00 177.39 176.02 1x4h n GLU 80 N -2.09 2.28 -4.30 1.47 0.28 -1.26 -4.67 120.64 112.35 1x4h n GLU 80 Ca 0.01 -1.97 -0.28 0.00 -0.16 0.00 0.00 57.16 54.77 1x4h n GLU 80 Cb 0.14 -1.46 -0.06 0.00 1.43 0.00 0.00 31.44 31.49 1x4h n GLU 80 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x4h s ALA 81 N -1.41 3.93 0.09 -1.84 0.00 -0.32 -5.07 121.76 117.14 1x4h s ALA 81 Ca 0.38 -1.38 -0.31 0.00 0.00 0.00 0.00 51.96 50.64 1x4h s ALA 81 Cb 0.20 -0.30 -0.11 0.00 0.00 0.00 0.00 23.12 22.92 1x4h s ALA 81 CO 0.28 -0.19 1.86 0.39 0.00 0.00 0.00 175.76 178.10 1x4h n GLU 82 N -1.36 2.73 0.00 0.00 4.71 -1.26 -3.37 120.64 122.10 1x4h n GLU 82 Ca -0.07 1.00 0.00 0.00 -0.01 0.00 0.00 57.16 58.08 1x4h n GLU 82 Cb 0.65 -2.89 0.00 0.00 -1.01 0.00 0.00 31.44 28.19 1x4h n GLU 82 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1x4h n GLY 83 N 4.27 2.13 0.00 0.62 0.00 -1.26 -4.13 105.19 106.83 1x4h n GLY 83 Ca 0.19 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 -0.18 3.29 -0.02 0.00 -1.22 -5.05 105.19 102.02 1x4h n GLY 84 Ca 0.00 -1.25 -0.25 0.00 0.00 0.00 0.00 46.02 44.51 1x4h n GLY 84 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x4h s GLY 85 N 0.00 1.26 0.23 -0.02 0.00 -1.07 -3.19 107.32 104.53 1x4h s GLY 85 Ca 0.00 -1.22 -0.07 0.00 0.00 0.00 0.00 44.72 43.44 1x4h s GLY 85 CO 0.00 -1.19 0.50 1.08 0.00 0.00 0.00 173.10 173.49 1x4h s LEU 86 N -1.66 4.16 -0.09 0.66 1.02 -0.93 -4.89 118.68 116.95 1x4h s LEU 86 Ca 0.08 0.75 -0.07 0.00 0.02 0.00 0.00 54.13 54.91 1x4h s LEU 86 Cb -0.10 -3.52 0.03 0.00 0.02 0.00 0.00 46.19 42.62 1x4h s LEU 86 CO 0.04 -0.08 0.23 -0.54 0.02 0.00 0.00 176.35 176.02 1x4h s LYS 87 N -3.03 0.25 -0.23 1.70 1.02 -1.26 -2.41 119.74 115.78 1x4h s LYS 87 Ca 0.44 0.35 0.01 0.00 0.02 0.00 0.00 55.97 56.79 1x4h s LYS 87 Cb -0.11 0.09 0.06 0.00 -0.52 0.00 0.00 37.83 37.34 1x4h s LYS 87 CO 0.25 -0.05 -0.06 -1.17 -0.92 0.00 0.00 175.35 173.40 1x4h s LEU 88 N 0.31 2.59 -1.26 3.17 2.96 0.83 -4.75 118.68 122.53 1x4h s LEU 88 Ca -0.02 -1.16 -0.07 0.00 -0.22 0.00 0.00 54.13 52.66 1x4h s LEU 88 Cb -0.03 -1.20 0.01 0.00 0.50 0.00 0.00 46.19 45.47 1x4h s LEU 88 CO -0.01 -0.22 0.99 0.47 -1.32 0.00 0.00 176.35 176.25 1x4h n ASP 89 N 4.66 -5.94 -0.35 3.68 9.92 -1.26 -1.91 116.55 125.34 1x4h n ASP 89 Ca -0.12 -0.45 -0.04 0.00 -0.53 0.00 0.00 54.79 53.64 1x4h n ASP 89 Cb 0.44 -4.59 -0.02 0.00 -0.64 0.00 0.00 41.12 36.31 1x4h n ASP 89 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x4h n GLY 90 N -1.80 0.63 3.19 0.44 0.00 -1.26 -5.03 105.19 101.36 1x4h n GLY 90 Ca -0.01 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.65 2.84 -0.28 1.61 1.81 -0.80 -5.09 118.95 116.38 1x4h s ARG 91 Ca 0.00 -0.81 -0.29 0.00 -1.72 0.00 0.00 55.73 52.91 1x4h s ARG 91 Cb 0.00 -2.17 -0.01 0.00 -0.45 0.00 0.00 34.95 32.32 1x4h s ARG 91 CO 0.00 0.15 1.40 -1.14 -0.68 0.00 0.00 175.30 175.03 1x4h s GLN 92 N 0.41 3.86 0.07 3.54 -0.44 -1.26 -0.12 119.66 125.72 1x4h s GLN 92 Ca -0.18 1.35 -0.26 0.00 -2.50 0.00 0.00 55.36 53.76 1x4h s GLN 92 Cb -0.18 -3.93 -0.06 0.00 -1.64 0.00 0.00 33.01 27.21 1x4h s GLN 92 CO 0.08 -1.20 0.83 -0.51 0.50 0.00 0.00 175.29 174.98 1x4h s LEU 93 N 4.68 4.47 -0.40 3.68 1.43 -1.01 -4.69 118.68 126.83 1x4h s LEU 93 Ca 0.61 1.56 -0.05 0.00 -1.03 0.00 0.00 54.13 55.21 1x4h s LEU 93 Cb -0.19 -3.34 0.09 0.00 0.03 0.00 0.00 46.19 42.79 1x4h s LEU 93 CO 0.25 -0.01 0.21 -0.54 0.23 0.00 0.00 176.35 176.50 1x4h s LYS 94 N -0.06 2.28 -0.21 1.70 3.01 -0.66 -4.65 119.74 121.15 1x4h s LYS 94 Ca 0.41 -1.64 -0.11 0.00 -1.01 0.00 0.00 55.97 53.61 1x4h s LYS 94 Cb -0.21 -3.63 -0.05 0.00 -1.01 0.00 0.00 37.83 32.93 1x4h s LYS 94 CO 0.25 -1.00 0.19 0.08 0.51 0.00 0.00 175.35 175.39 1x4h s VAL 95 N 1.26 5.35 -0.03 3.17 1.01 -1.25 -0.42 120.40 129.49 1x4h s VAL 95 Ca 0.05 0.28 -0.05 0.00 0.00 0.00 0.00 61.98 62.26 1x4h s VAL 95 Cb -0.23 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.63 1x4h s VAL 95 CO -0.02 0.37 0.12 -0.62 0.00 0.00 0.00 175.10 174.95 1x4h s ASP 96 N 0.75 -0.08 -0.51 3.32 2.15 -0.29 -4.71 116.67 117.30 1x4h s ASP 96 Ca 0.10 0.12 -0.26 0.00 0.43 0.00 0.00 52.55 52.94 1x4h s ASP 96 Cb -0.13 0.24 -0.06 0.00 -0.30 0.00 0.00 42.92 42.67 1x4h s ASP 96 CO 0.03 -0.12 2.32 -0.22 -0.17 0.00 0.00 175.17 177.00 1x4h s LEU 97 N -0.31 3.39 0.00 -1.34 1.98 -1.26 -0.02 118.68 121.12 1x4h s LEU 97 Ca -0.04 0.95 -0.06 0.00 -2.89 0.00 0.00 54.13 52.09 1x4h s LEU 97 Cb -0.03 -2.51 0.12 0.00 0.66 0.00 0.00 46.19 44.44 1x4h s LEU 97 CO 0.00 -2.81 0.77 0.00 -1.89 0.00 0.00 176.35 172.42 1x4h n ALA 98 N 15.45 -0.54 -2.41 5.97 0.00 -1.26 -4.92 120.51 132.82 1x4h n ALA 98 Ca 0.34 -1.17 -0.31 0.00 0.00 0.00 0.00 53.44 52.31 1x4h n ALA 98 Cb 0.54 0.05 -0.14 0.00 0.00 0.00 0.00 19.45 19.91 1x4h n ALA 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x4h s VAL 99 N -2.47 2.52 -0.13 0.00 0.11 -1.26 -4.53 120.40 114.64 1x4h s VAL 99 Ca 0.46 -1.25 0.02 0.00 -2.93 0.00 0.00 61.98 58.27 1x4h s VAL 99 Cb -0.02 -2.02 -0.00 0.00 -1.53 0.00 0.00 36.38 32.81 1x4h s VAL 99 CO 0.32 0.36 -0.19 0.42 -3.33 0.00 0.00 175.10 172.68 1x4h s THR 100 N -0.86 2.47 -0.43 5.04 -4.23 -1.26 -5.09 115.64 111.28 1x4h s THR 100 Ca 0.13 -0.86 -0.14 0.00 -1.18 0.00 0.00 61.69 59.64 1x4h s THR 100 Cb -0.10 -2.00 0.05 0.00 1.34 0.00 0.00 72.50 71.79 1x4h s THR 100 CO 0.04 0.54 0.32 0.00 -0.54 0.00 0.00 174.62 174.97 1x4h s ARG 101 N 0.53 2.90 -0.11 3.99 1.70 -1.26 -5.05 118.95 121.66 1x4h s ARG 101 Ca -0.12 -1.22 -0.01 0.00 -0.47 0.00 0.00 55.73 53.92 1x4h s ARG 101 Cb -0.16 -3.97 0.03 0.00 -0.57 0.00 0.00 34.95 30.27 1x4h s ARG 101 CO 0.04 -0.88 -0.06 -0.51 -1.08 0.00 0.00 175.30 172.82 1x4h s ASP 102 N 2.07 2.07 -1.06 -2.89 1.11 -1.26 -5.06 116.67 111.65 1x4h s ASP 102 Ca 0.04 -0.27 -0.23 0.00 0.18 0.00 0.00 52.55 52.26 1x4h s ASP 102 Cb -0.22 -0.75 -0.07 0.00 1.07 0.00 0.00 42.92 42.96 1x4h s ASP 102 CO 0.07 -0.14 1.93 -0.70 1.18 0.00 0.00 175.17 177.51 1x4h s GLU 103 N 1.77 2.54 -0.27 8.23 2.56 -1.26 -4.82 118.70 127.45 1x4h s GLU 103 Ca 0.05 -0.79 -0.09 0.00 0.00 0.00 0.00 54.97 54.13 1x4h s GLU 103 Cb -0.13 -5.17 0.11 0.00 2.00 0.00 0.00 34.13 30.95 1x4h s GLU 103 CO -0.07 -3.69 0.58 0.00 -0.56 0.00 0.00 175.26 171.51 1x4h s ALA 104 N 10.51 -1.75 -0.17 6.30 0.00 -1.26 -5.14 121.76 130.25 1x4h s ALA 104 Ca 0.69 2.08 -0.01 0.00 0.00 0.00 0.00 51.96 54.72 1x4h s ALA 104 Cb -0.03 -1.61 0.05 0.00 0.00 0.00 0.00 23.12 21.52 1x4h s ALA 104 CO 0.07 -0.84 -0.04 0.00 0.00 0.00 0.00 175.76 174.95 1x4h s ALA 105 N 2.73 1.43 -0.56 0.00 0.00 -1.26 -5.06 121.76 119.03 1x4h s ALA 105 Ca -0.05 -0.84 -0.29 0.00 0.00 0.00 0.00 51.96 50.78 1x4h s ALA 105 Cb -0.12 -1.15 -0.16 0.00 0.00 0.00 0.00 23.12 21.69 1x4h s ALA 105 CO -0.17 -0.88 1.85 -1.13 0.00 0.00 0.00 175.76 175.44 1x4h n SER 106 N 4.89 0.42 -3.28 0.00 3.41 -1.26 -4.83 113.62 112.97 1x4h n SER 106 Ca -0.11 0.35 -0.25 0.00 -0.26 0.00 0.00 58.87 58.60 1x4h n SER 106 Cb 0.47 -0.70 -0.08 0.00 -0.26 0.00 0.00 64.21 63.64 1x4h n SER 106 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x4h n GLY 107 N 5.46 3.40 0.00 5.00 0.00 -1.26 -4.91 105.19 112.87 1x4h n GLY 107 Ca 0.46 -1.92 0.07 0.00 0.00 0.00 0.00 46.02 44.64 1x4h n GLY 107 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4h n PRO 108 N 1.34 0.02 -3.94 1.61 -0.04 -1.26 -4.88 135.00 127.84 1x4h n PRO 108 Ca 0.24 0.25 -0.27 0.00 -0.04 0.00 0.00 63.50 63.68 1x4h n PRO 108 Cb 0.49 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1x4h n PRO 108 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x4h n SER 109 N -1.48 -1.68 -4.29 3.54 7.64 -1.26 -4.91 113.62 111.17 1x4h n SER 109 Ca 0.04 -0.93 -0.45 0.00 1.01 0.00 0.00 58.87 58.53 1x4h n SER 109 Cb 0.16 -3.33 -0.03 0.00 -1.01 0.00 0.00 64.21 59.99 1x4h n SER 109 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4h s SER 110 N -4.02 6.48 0.00 6.43 0.15 -1.26 -5.35 113.70 116.13 1x4h s SER 110 Ca 0.23 -2.64 0.01 0.00 0.70 0.00 0.00 55.95 54.25 1x4h s SER 110 Cb -0.12 -2.15 0.06 0.00 -1.71 0.00 0.00 66.02 62.10 1x4h s SER 110 CO 0.87 -0.56 0.56 0.61 1.20 0.00 0.00 173.24 175.91