#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 -0.56 -0.18 1.61 0.15 -1.26 -5.16 113.70 108.31 1x4h s SER 2 Ca 0.00 0.22 -0.04 0.00 0.70 0.00 0.00 55.95 56.83 1x4h s SER 2 Cb 0.00 0.54 0.09 0.00 -1.71 0.00 0.00 66.02 64.94 1x4h s SER 2 CO 0.00 -0.80 0.28 -0.94 1.20 0.00 0.00 173.24 172.99 1x4h s SER 3 N -2.20 0.59 0.00 5.45 1.04 -1.26 -5.13 113.70 112.19 1x4h s SER 3 Ca -0.02 0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.73 1x4h s SER 3 Cb -0.01 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.84 1x4h s SER 3 CO -0.05 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.50 1x4h n GLY 4 N 5.35 1.96 3.21 7.32 0.00 -1.26 -5.17 105.19 116.60 1x4h n GLY 4 Ca -0.06 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 1.00 -0.27 -0.29 1.61 1.04 -1.26 -5.16 113.70 110.38 1x4h s SER 5 Ca 0.00 0.41 -0.16 0.00 0.48 0.00 0.00 55.95 56.67 1x4h s SER 5 Cb 0.00 0.51 0.13 0.00 0.10 0.00 0.00 66.02 66.77 1x4h s SER 5 CO 0.00 -0.24 0.93 -0.55 0.98 0.00 0.00 173.24 174.36 1x4h s SER 6 N -0.43 -0.58 -0.29 7.02 0.15 -1.26 -5.18 113.70 113.13 1x4h s SER 6 Ca -0.05 0.94 -0.29 0.00 0.70 0.00 0.00 55.95 57.25 1x4h s SER 6 Cb -0.04 1.22 0.19 0.00 -1.71 0.00 0.00 66.02 65.69 1x4h s SER 6 CO 0.02 -0.15 1.37 -0.83 1.20 0.00 0.00 173.24 174.85 1x4h s GLY 7 N 1.34 0.12 0.53 9.45 0.00 -1.26 -5.15 107.32 112.34 1x4h s GLY 7 Ca -0.09 2.90 -0.19 0.00 0.00 0.00 0.00 44.72 47.35 1x4h s GLY 7 CO -0.15 1.17 0.37 1.47 0.00 0.00 0.00 173.10 175.95 1x4h n LEU 8 N 0.59 -0.45 -4.67 0.66 -0.00 -1.26 -4.84 117.00 107.03 1x4h n LEU 8 Ca -0.01 0.74 -0.42 0.00 -0.00 0.00 0.00 56.01 56.32 1x4h n LEU 8 Cb 0.59 -1.08 -0.03 0.00 -0.00 0.00 0.00 43.42 42.90 1x4h n LEU 8 CO 0.06 -3.46 1.21 -2.16 -0.00 0.00 0.00 177.39 173.05 1x4h s PRO 9 N -1.73 4.23 -0.41 1.47 0.04 -1.26 -4.93 135.00 132.40 1x4h s PRO 9 Ca 0.65 2.01 0.05 0.00 0.04 0.00 0.00 61.00 63.76 1x4h s PRO 9 Cb -0.48 -3.75 0.43 0.00 0.04 0.00 0.00 34.50 30.73 1x4h s PRO 9 CO 0.58 -0.70 1.16 0.45 0.04 0.00 0.00 177.00 178.53 1x4h n SER 10 N 6.22 4.86 -1.65 6.66 2.88 -1.26 -4.84 113.62 126.49 1x4h n SER 10 Ca 0.15 -3.73 -0.07 0.00 -1.33 0.00 0.00 58.87 53.89 1x4h n SER 10 Cb 0.43 -0.45 0.02 0.00 -0.75 0.00 0.00 64.21 63.46 1x4h n SER 10 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1x4h n ASP 11 N -0.55 5.68 0.04 -3.46 5.68 -1.26 -4.25 116.55 118.43 1x4h n ASP 11 Ca 0.41 -2.67 -0.20 0.00 -0.50 0.00 0.00 54.79 51.83 1x4h n ASP 11 Cb 0.73 -1.07 -0.13 0.00 -1.14 0.00 0.00 41.12 39.51 1x4h n ASP 11 CO 0.00 0.00 0.00 -0.37 -1.33 0.00 0.00 177.20 175.50 1x4h h VAL 12 N 0.95 1.43 -3.84 2.12 -1.51 -2.00 -3.46 116.25 109.94 1x4h h VAL 12 Ca 0.12 -2.34 -0.49 0.00 -1.23 0.00 0.00 66.70 62.76 1x4h h VAL 12 Cb 0.99 2.86 0.05 0.00 -2.13 0.00 0.00 31.29 33.06 1x4h h VAL 12 CO 0.32 0.68 0.22 0.28 -1.23 0.00 0.00 177.57 177.84 1x4h s THR 13 N -2.85 4.36 -0.94 7.19 -1.32 -1.26 -5.01 115.64 115.81 1x4h s THR 13 Ca -0.12 0.31 -0.17 0.00 -1.21 0.00 0.00 61.69 60.49 1x4h s THR 13 Cb 0.03 -3.71 0.15 0.00 -1.51 0.00 0.00 72.50 67.47 1x4h s THR 13 CO 0.85 -0.78 1.09 -1.61 -2.21 0.00 0.00 174.62 171.96 1x4h s GLU 14 N -4.96 3.66 -0.32 7.08 8.01 -1.26 -4.81 118.70 126.10 1x4h s GLU 14 Ca 0.52 -2.01 0.13 0.00 0.01 0.00 0.00 54.97 53.62 1x4h s GLU 14 Cb -0.11 -4.83 0.47 0.00 -4.31 0.00 0.00 34.13 25.35 1x4h s GLU 14 CO 0.47 -1.67 1.11 0.41 0.01 0.00 0.00 175.26 175.60 1x4h n GLY 15 N 5.01 4.29 3.03 -1.39 0.00 -1.26 -5.03 105.19 109.85 1x4h n GLY 15 Ca 0.23 -2.03 -0.31 0.00 0.00 0.00 0.00 46.02 43.91 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 -3.57 2.37 0.09 1.61 1.02 -1.26 -4.94 119.74 115.06 1x4h s LYS 16 Ca 0.40 -0.67 -0.01 0.00 0.02 0.00 0.00 55.97 55.71 1x4h s LYS 16 Cb 0.39 -2.26 -0.04 0.00 -0.52 0.00 0.00 37.83 35.40 1x4h s LYS 16 CO -0.03 -0.27 0.01 0.99 -0.92 0.00 0.00 175.35 175.13 1x4h s THR 17 N 1.43 0.20 -0.25 2.17 2.01 -1.26 -4.11 115.64 115.82 1x4h s THR 17 Ca 0.04 -1.87 -0.08 0.00 0.31 0.00 0.00 61.69 60.09 1x4h s THR 17 Cb -0.14 -1.79 0.12 0.00 0.01 0.00 0.00 72.50 70.71 1x4h s THR 17 CO -0.11 -0.73 0.53 0.68 -0.69 0.00 0.00 174.62 174.30 1x4h s VAL 18 N -3.96 -0.82 -0.16 3.82 -7.23 -0.57 -4.01 120.40 107.47 1x4h s VAL 18 Ca 0.16 0.07 -0.03 0.00 -1.81 0.00 0.00 61.98 60.37 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 -0.07 0.12 -0.31 0.00 0.00 175.10 174.83 1x4h s PHE 19 N 2.75 2.94 -0.18 2.82 5.36 0.10 0.01 117.98 131.79 1x4h s PHE 19 Ca -0.01 -0.53 -0.10 0.00 -0.96 0.00 0.00 56.93 55.34 1x4h s PHE 19 Cb -0.12 -1.95 -0.05 0.00 -0.34 0.00 0.00 43.02 40.56 1x4h s PHE 19 CO -0.16 -0.19 0.14 0.42 -1.46 0.00 0.00 175.22 173.97 1x4h s ILE 20 N 0.57 5.42 0.13 3.12 1.09 -0.24 -1.04 121.20 130.25 1x4h s ILE 20 Ca -0.05 0.22 0.11 0.00 -1.10 0.00 0.00 60.65 59.83 1x4h s ILE 20 Cb -0.15 -3.46 -0.04 0.00 -1.06 0.00 0.00 42.46 37.75 1x4h s ILE 20 CO 0.03 0.48 -0.26 -0.13 -0.10 0.00 0.00 174.94 174.96 1x4h s ARG 21 N 0.03 1.45 -0.56 2.79 0.52 0.39 -2.19 118.95 121.38 1x4h s ARG 21 Ca 0.10 -1.33 -0.01 0.00 -0.52 0.00 0.00 55.73 53.97 1x4h s ARG 21 Cb -0.11 -1.92 0.00 0.00 0.52 0.00 0.00 34.95 33.43 1x4h s ARG 21 CO -0.00 0.45 0.47 -1.71 0.02 0.00 0.00 175.30 174.53 1x4h n ASN 22 N 0.88 -2.43 -4.81 0.23 5.15 -0.91 -1.77 115.26 111.61 1x4h n ASN 22 Ca -0.18 -0.27 -0.34 0.00 -0.60 0.00 0.00 54.58 53.19 1x4h n ASN 22 Cb 0.53 -2.58 -0.06 0.00 -0.53 0.00 0.00 39.78 37.14 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 -3.94 4.02 0.29 1.20 1.43 0.45 -4.57 118.68 117.56 1x4h s LEU 23 Ca 0.06 1.78 -0.24 0.00 -1.03 0.00 0.00 54.13 54.69 1x4h s LEU 23 Cb -0.02 -4.41 -0.09 0.00 0.03 0.00 0.00 46.19 41.69 1x4h s LEU 23 CO 0.33 -0.37 0.87 -0.55 0.23 0.00 0.00 176.35 176.87 1x4h s SER 24 N -1.99 7.25 0.40 2.29 0.15 -1.26 -4.62 113.70 115.91 1x4h s SER 24 Ca 0.60 1.70 0.23 0.00 0.70 0.00 0.00 55.95 59.17 1x4h s SER 24 Cb -0.13 -2.53 1.23 0.00 -1.71 0.00 0.00 66.02 62.89 1x4h s SER 24 CO 0.17 -0.03 1.66 -0.26 1.20 0.00 0.00 173.24 175.98 1x4h h PHE 25 N 3.25 0.00 0.00 3.44 0.04 -1.96 0.44 116.94 122.15 1x4h h PHE 25 Ca -0.47 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.30 1x4h h PHE 25 Cb 1.19 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.34 1x4h h PHE 25 CO 0.62 0.00 -1.19 -0.25 -0.60 0.00 0.00 178.31 176.90 1x4h n ASP 26 N -2.36 0.64 -4.45 2.17 9.92 -1.26 -4.55 116.55 116.66 1x4h n ASP 26 Ca -0.02 0.18 -0.35 0.00 -0.53 0.00 0.00 54.79 54.07 1x4h n ASP 26 Cb 0.16 0.79 0.09 0.00 -0.64 0.00 0.00 41.12 41.52 1x4h n ASP 26 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1x4h n SER 27 N -2.47 -1.42 -3.84 -2.24 7.64 0.15 -5.03 113.62 106.43 1x4h n SER 27 Ca -0.00 0.51 -0.09 0.00 1.01 0.00 0.00 58.87 60.29 1x4h n SER 27 Cb 0.53 -1.22 -0.07 0.00 -1.01 0.00 0.00 64.21 62.44 1x4h n SER 27 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1x4h s GLU 28 N -3.07 0.84 0.35 1.43 2.02 -1.26 -4.90 118.70 114.10 1x4h s GLU 28 Ca 0.63 -0.88 0.03 0.00 0.02 0.00 0.00 54.97 54.76 1x4h s GLU 28 Cb -0.30 0.35 0.63 0.00 0.10 0.00 0.00 34.13 34.90 1x4h s GLU 28 CO 0.61 -0.27 1.98 1.49 0.02 0.00 0.00 175.26 179.08 1x4h h GLU 29 N 2.82 0.76 0.14 1.61 4.81 -1.95 0.22 114.58 122.99 1x4h h GLU 29 Ca -0.34 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 58.81 1x4h h GLU 29 Cb 1.20 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.43 1x4h h GLU 29 CO 0.54 0.56 -0.07 1.49 -0.73 0.00 0.00 179.01 180.80 1x4h h GLU 30 N 0.77 -0.18 0.49 1.92 4.57 -1.96 -2.76 114.58 117.43 1x4h h GLU 30 Ca 0.20 0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.37 1x4h h GLU 30 Cb 0.01 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1x4h h GLU 30 CO -0.03 0.15 -0.23 0.00 -1.18 0.00 0.00 179.01 177.72 1x4h h ALA 31 N 0.26 -0.65 -0.95 2.92 0.00 -1.92 -2.50 119.26 116.41 1x4h h ALA 31 Ca -0.02 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 54.85 1x4h h ALA 31 Cb 0.42 0.25 -0.16 0.00 0.00 0.00 0.00 17.79 18.30 1x4h h ALA 31 CO 0.03 -0.73 -0.37 1.25 0.00 0.00 0.00 179.25 179.43 1x4h h LEU 32 N -0.92 -1.36 -0.28 0.00 6.46 -0.67 0.20 115.31 118.74 1x4h h LEU 32 Ca -0.07 0.30 0.01 0.00 -0.12 0.00 0.00 57.88 58.00 1x4h h LEU 32 Cb 0.59 0.72 -0.02 0.00 -0.73 0.00 0.00 40.66 41.23 1x4h h LEU 32 CO 0.11 -0.29 0.16 1.23 -0.62 0.00 0.00 178.44 179.02 1x4h h GLY 33 N -0.02 0.38 1.99 3.75 0.00 -1.50 -0.90 103.07 106.77 1x4h h GLY 33 Ca 0.34 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1x4h h GLY 33 CO -0.95 0.11 0.00 1.18 0.00 0.00 0.00 176.54 176.88 1x4h n GLU 34 N -4.94 0.13 0.01 4.80 1.02 0.56 0.27 120.64 122.50 1x4h n GLU 34 Ca -0.01 0.63 -0.04 0.00 -0.02 0.00 0.00 57.16 57.71 1x4h n GLU 34 Cb 0.05 -1.93 -0.11 0.00 -0.02 0.00 0.00 31.44 29.44 1x4h n GLU 34 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1x4h h VAL 35 N 0.00 0.73 0.00 2.62 2.07 0.28 -3.37 116.25 118.57 1x4h h VAL 35 Ca 0.00 -2.39 -0.07 0.00 0.82 0.00 0.00 66.70 65.06 1x4h h VAL 35 Cb 0.01 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 1x4h h VAL 35 CO 0.00 0.41 -1.85 0.18 0.02 0.00 0.00 177.57 176.33 1x4h n LEU 36 N -3.00 0.21 -0.13 2.57 4.77 0.08 -4.26 117.00 117.24 1x4h n LEU 36 Ca -0.12 0.09 0.01 0.00 -0.03 0.00 0.00 56.01 55.96 1x4h n LEU 36 Cb 0.93 0.08 0.28 0.00 -2.33 0.00 0.00 43.42 42.38 1x4h n LEU 36 CO 0.44 0.06 1.15 1.56 -1.33 0.00 0.00 177.39 179.27 1x4h h GLN 37 N 0.00 0.81 -1.13 3.23 4.20 -0.33 -2.40 115.11 119.49 1x4h h GLN 37 Ca -0.10 -0.08 0.35 0.00 0.06 0.00 0.00 58.65 58.88 1x4h h GLN 37 Cb 1.25 -0.17 -0.13 0.00 0.30 0.00 0.00 27.48 28.74 1x4h h GLN 37 CO 0.01 0.59 0.70 -0.56 -0.67 0.00 0.00 178.83 178.90 1x4h h GLN 38 N 0.82 0.24 -0.01 1.46 3.07 -1.74 0.10 115.11 119.06 1x4h h GLN 38 Ca 0.21 -0.01 -0.02 0.00 0.09 0.00 0.00 58.65 58.92 1x4h h GLN 38 Cb 0.01 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 27.52 1x4h h GLN 38 CO -0.04 0.16 -0.09 0.74 0.09 0.00 0.00 178.83 179.70 1x4h h PHE 39 N 0.25 0.10 -2.45 0.06 -1.00 -1.71 -3.49 116.94 108.69 1x4h h PHE 39 Ca 0.73 -0.05 0.16 0.00 2.81 0.00 0.00 57.97 61.63 1x4h h PHE 39 Cb 1.98 -0.01 -0.05 0.00 3.61 0.00 0.00 35.95 41.47 1x4h h PHE 39 CO -0.01 0.81 0.53 0.20 -1.61 0.00 0.00 178.31 178.22 1x4h s GLY 40 N -3.76 -0.04 0.16 -1.45 0.00 0.35 -4.93 107.32 97.65 1x4h s GLY 40 Ca -0.17 -0.13 -0.31 0.00 0.00 0.00 0.00 44.72 44.11 1x4h s GLY 40 CO 0.70 1.08 1.73 0.99 0.00 0.00 0.00 173.10 177.61 1x4h s ASP 41 N -3.16 6.44 -0.52 1.64 1.11 -1.26 -4.11 116.67 116.81 1x4h s ASP 41 Ca 0.17 2.77 -0.20 0.00 0.18 0.00 0.00 52.55 55.47 1x4h s ASP 41 Cb -0.02 -2.58 0.06 0.00 1.07 0.00 0.00 42.92 41.45 1x4h s ASP 41 CO 0.04 -0.96 0.67 -0.76 1.18 0.00 0.00 175.17 175.34 1x4h s LEU 42 N 1.84 4.91 0.21 1.23 1.43 -1.26 -0.80 118.68 126.23 1x4h s LEU 42 Ca 0.76 -0.90 -0.13 0.00 -1.03 0.00 0.00 54.13 52.84 1x4h s LEU 42 Cb -0.47 -2.47 0.26 0.00 0.03 0.00 0.00 46.19 43.54 1x4h s LEU 42 CO 0.33 -0.95 1.63 0.50 0.23 0.00 0.00 176.35 178.10 1x4h h LYS 43 N 9.05 0.02 -2.08 1.70 1.63 0.11 -3.43 116.57 123.57 1x4h h LYS 43 Ca -0.28 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.49 1x4h h LYS 43 Cb 1.09 -0.00 -0.21 0.00 -0.60 0.00 0.00 32.23 32.50 1x4h h LYS 43 CO 0.99 0.01 0.05 1.52 -3.45 0.00 0.00 179.45 178.57 1x4h s TYR 44 N -6.22 -0.85 -0.30 1.91 -0.85 -1.17 -5.00 117.35 104.87 1x4h s TYR 44 Ca -0.14 1.91 0.03 0.00 -0.52 0.00 0.00 57.07 58.36 1x4h s TYR 44 Cb 0.19 0.38 0.08 0.00 0.38 0.00 0.00 41.96 43.00 1x4h s TYR 44 CO 0.74 -0.42 -0.02 0.54 -1.52 0.00 0.00 175.55 174.87 1x4h s VAL 45 N 0.82 2.16 -0.08 -3.49 0.11 -1.26 -1.42 120.40 117.23 1x4h s VAL 45 Ca -0.04 -1.96 0.04 0.00 -2.93 0.00 0.00 61.98 57.09 1x4h s VAL 45 Cb -0.05 -2.44 -0.01 0.00 -1.53 0.00 0.00 36.38 32.35 1x4h s VAL 45 CO -0.06 -0.33 -0.19 -0.60 -3.33 0.00 0.00 175.10 170.58 1x4h s ARG 46 N 1.03 2.84 -0.28 1.54 6.06 -0.07 -4.96 118.95 125.11 1x4h s ARG 46 Ca 0.02 -0.80 -0.01 0.00 -2.50 0.00 0.00 55.73 52.44 1x4h s ARG 46 Cb -0.19 -2.36 0.05 0.00 0.06 0.00 0.00 34.95 32.51 1x4h s ARG 46 CO -0.07 0.36 -0.03 0.54 -2.50 0.00 0.00 175.30 173.60 1x4h s VAL 47 N -0.07 2.83 0.06 7.11 0.11 -1.26 -0.03 120.40 129.14 1x4h s VAL 47 Ca -0.05 -1.36 -0.30 0.00 -2.93 0.00 0.00 61.98 57.34 1x4h s VAL 47 Cb -0.14 -2.59 -0.09 0.00 -1.53 0.00 0.00 36.38 32.02 1x4h s VAL 47 CO 0.04 -0.03 1.91 0.54 -3.33 0.00 0.00 175.10 174.23 1x4h s VAL 48 N 1.24 2.87 0.34 2.04 0.11 -1.23 -4.99 120.40 120.78 1x4h s VAL 48 Ca -0.05 0.05 0.09 0.00 -2.93 0.00 0.00 61.98 59.14 1x4h s VAL 48 Cb -0.19 -3.03 -0.06 0.00 -1.53 0.00 0.00 36.38 31.57 1x4h s VAL 48 CO -0.02 -0.00 -0.06 -0.76 -3.33 0.00 0.00 175.10 170.92 1x4h s LEU 49 N 3.88 2.82 0.33 2.54 1.43 -1.26 -3.51 118.68 124.91 1x4h s LEU 49 Ca 0.86 -1.11 -0.28 0.00 -1.03 0.00 0.00 54.13 52.56 1x4h s LEU 49 Cb -0.44 -1.14 -0.12 0.00 0.03 0.00 0.00 46.19 44.52 1x4h s LEU 49 CO 0.40 -0.20 1.34 1.57 0.23 0.00 0.00 176.35 179.69 1x4h n HIS 50 N -0.84 2.40 0.98 0.29 -0.00 -1.21 -4.84 115.22 111.99 1x4h n HIS 50 Ca -0.05 0.51 0.06 0.00 0.46 0.00 0.00 57.72 58.70 1x4h n HIS 50 Cb 0.63 -2.45 0.35 0.00 -0.12 0.00 0.00 29.99 28.40 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 0.77 0.49 0.06 1.57 -0.04 -1.26 -3.78 135.00 132.81 1x4h n PRO 51 Ca 0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 1x4h n PRO 51 Cb 0.36 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 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 -0.87 0.78 -4.86 3.54 2.03 -1.26 -5.11 116.55 110.80 1x4h n ASP 52 Ca 0.09 0.20 -0.21 0.00 0.52 0.00 0.00 54.79 55.39 1x4h n ASP 52 Cb 0.04 -0.17 -0.03 0.00 -0.72 0.00 0.00 41.12 40.24 1x4h n ASP 52 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1x4h s THR 53 N -1.92 2.96 -0.53 5.18 -1.32 -1.25 -5.02 115.64 113.74 1x4h s THR 53 Ca 0.00 -1.36 -0.03 0.00 -1.21 0.00 0.00 61.69 59.08 1x4h s THR 53 Cb 0.00 -3.06 0.14 0.00 -1.51 0.00 0.00 72.50 68.07 1x4h s THR 53 CO 0.00 -0.06 2.54 -0.62 -2.21 0.00 0.00 174.62 174.27 1x4h n GLU 54 N -1.48 2.43 -3.47 7.08 1.02 -1.26 -3.33 120.64 121.63 1x4h n GLU 54 Ca 0.02 -2.54 -0.41 0.00 -0.02 0.00 0.00 57.16 54.21 1x4h n GLU 54 Cb 0.61 -2.13 -0.10 0.00 -0.02 0.00 0.00 31.44 29.80 1x4h n GLU 54 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1x4h s HIS 55 N -2.25 3.22 -0.94 -0.32 3.76 -1.26 -4.95 115.29 112.55 1x4h s HIS 55 Ca 0.56 -0.13 -0.22 0.00 -0.15 0.00 0.00 55.06 55.11 1x4h s HIS 55 Cb 0.39 -2.56 -0.24 0.00 1.11 0.00 0.00 32.58 31.27 1x4h s HIS 55 CO -0.24 -0.39 2.46 0.43 -0.85 0.00 0.00 174.74 176.15 1x4h n SER 56 N 5.23 -0.04 -0.56 1.40 7.64 -1.26 -3.52 113.62 122.51 1x4h n SER 56 Ca -0.11 -0.26 0.43 0.00 1.01 0.00 0.00 58.87 59.94 1x4h n SER 56 Cb 0.50 -0.90 0.68 0.00 -1.01 0.00 0.00 64.21 63.48 1x4h n SER 56 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1x4h n LYS 57 N 7.52 -0.01 0.00 1.43 4.81 -1.23 -4.63 118.16 126.05 1x4h n LYS 57 Ca 0.63 0.97 0.00 0.00 -0.87 0.00 0.00 58.31 59.04 1x4h n LYS 57 Cb 0.14 -2.15 0.00 0.00 0.02 0.00 0.00 35.03 33.05 1x4h n LYS 57 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1x4h n GLY 58 N -1.70 1.21 3.44 3.14 0.00 -1.26 -5.01 105.19 105.01 1x4h n GLY 58 Ca 0.38 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.86 -0.61 -0.03 0.00 0.00 -0.93 -3.52 121.76 112.81 1x4h s ALA 60 Ca 0.08 -0.52 0.04 0.00 0.00 0.00 0.00 51.96 51.56 1x4h s ALA 60 Cb 0.00 0.91 -0.01 0.00 0.00 0.00 0.00 23.12 24.03 1x4h s ALA 60 CO -0.05 -0.81 -0.16 -0.06 0.00 0.00 0.00 175.76 174.68 1x4h s PHE 61 N -3.93 1.52 0.26 0.00 0.40 0.95 -1.08 117.98 116.09 1x4h s PHE 61 Ca 0.14 -0.37 0.01 0.00 -0.60 0.00 0.00 56.93 56.12 1x4h s PHE 61 Cb -0.01 -1.01 -0.05 0.00 0.51 0.00 0.00 43.02 42.46 1x4h s PHE 61 CO 0.02 -0.10 0.09 0.00 0.70 0.00 0.00 175.22 175.92 1x4h s ALA 62 N -0.12 1.73 -0.09 5.36 0.00 0.10 -0.90 121.76 127.85 1x4h s ALA 62 Ca 0.00 -1.86 -0.04 0.00 0.00 0.00 0.00 51.96 50.07 1x4h s ALA 62 Cb -0.09 0.98 0.05 0.00 0.00 0.00 0.00 23.12 24.06 1x4h s ALA 62 CO 0.01 -0.44 0.20 -1.14 0.00 0.00 0.00 175.76 174.39 1x4h s GLN 63 N -4.01 0.13 0.69 0.00 0.74 -0.51 -1.52 119.66 115.18 1x4h s GLN 63 Ca 0.37 0.53 -0.05 0.00 0.05 0.00 0.00 55.36 56.26 1x4h s GLN 63 Cb 0.08 -0.15 0.07 0.00 1.10 0.00 0.00 33.01 34.11 1x4h s GLN 63 CO 0.13 -0.22 0.98 -0.06 -0.55 0.00 0.00 175.29 175.58 1x4h s PHE 64 N 1.66 2.62 -0.14 1.67 0.40 -1.26 0.14 117.98 123.07 1x4h s PHE 64 Ca -0.05 0.23 0.20 0.00 -0.60 0.00 0.00 56.93 56.72 1x4h s PHE 64 Cb -0.11 -3.14 -0.16 0.00 0.51 0.00 0.00 43.02 40.11 1x4h s PHE 64 CO -0.07 -1.43 0.72 -1.33 0.70 0.00 0.00 175.22 173.81 1x4h n MET 65 N -2.85 0.63 -4.32 0.44 2.81 0.02 -4.31 117.12 109.55 1x4h n MET 65 Ca 0.10 0.04 -0.20 0.00 -1.81 0.00 0.00 57.70 55.82 1x4h n MET 65 Cb 0.60 -1.70 -0.16 0.00 -0.71 0.00 0.00 33.22 31.25 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 -3.21 0.71 0.22 2.03 -4.23 -1.26 -5.04 115.64 104.85 1x4h s THR 66 Ca -0.04 -0.28 -0.15 0.00 -1.18 0.00 0.00 61.69 60.04 1x4h s THR 66 Cb 0.10 -0.66 0.25 0.00 1.34 0.00 0.00 72.50 73.53 1x4h s THR 66 CO 0.84 0.24 1.60 1.56 -0.54 0.00 0.00 174.62 178.31 1x4h h GLN 67 N 6.73 -0.05 -1.01 3.99 4.20 -1.92 0.50 115.11 127.55 1x4h h GLN 67 Ca -0.35 0.00 0.24 0.00 0.06 0.00 0.00 58.65 58.61 1x4h h GLN 67 Cb 1.17 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 28.86 1x4h h GLN 67 CO 0.48 -0.03 0.63 1.49 -0.67 0.00 0.00 178.83 180.73 1x4h h GLU 68 N -0.05 0.50 0.44 1.46 4.81 -1.99 -2.14 114.58 117.61 1x4h h GLU 68 Ca 0.32 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 1x4h h GLU 68 Cb 0.55 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1x4h h GLU 68 CO -0.76 0.33 -0.35 0.00 -0.73 0.00 0.00 179.01 177.50 1x4h h ALA 69 N 1.65 -1.09 -0.86 2.92 0.00 -0.36 -0.11 119.26 121.40 1x4h h ALA 69 Ca 0.59 -0.15 0.19 0.00 0.00 0.00 0.00 54.91 55.54 1x4h h ALA 69 Cb 1.28 0.53 -0.16 0.00 0.00 0.00 0.00 17.79 19.45 1x4h h ALA 69 CO -0.34 -1.09 -0.10 0.00 0.00 0.00 0.00 179.25 177.72 1x4h h ALA 70 N -1.27 0.76 -0.71 0.00 0.00 -1.28 0.42 119.26 117.18 1x4h h ALA 70 Ca -0.06 0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1x4h h ALA 70 Cb 0.64 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1x4h h ALA 70 CO 0.01 -0.44 0.42 1.96 0.00 0.00 0.00 179.25 181.19 1x4h h GLN 71 N 0.03 0.98 0.00 0.00 1.08 -1.26 -1.31 115.11 114.63 1x4h h GLN 71 Ca 0.45 -0.10 -0.00 0.00 -1.45 0.00 0.00 58.65 57.55 1x4h h GLN 71 Cb 0.78 -0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 28.01 1x4h h GLN 71 CO -0.83 0.71 -0.02 0.87 -0.95 0.00 0.00 178.83 178.61 1x4h h LYS 72 N 0.98 0.00 0.06 1.46 1.57 0.17 -1.53 116.57 119.28 1x4h h LYS 72 Ca 0.25 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.77 1x4h h LYS 72 Cb -0.01 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1x4h h LYS 72 CO -0.05 0.02 -1.28 0.00 -0.57 0.00 0.00 179.45 177.57 1x4h h LEU 74 N 0.04 -0.24 -1.77 0.00 3.38 -0.84 0.74 115.31 116.62 1x4h h LEU 74 Ca -0.13 0.01 0.44 0.00 0.09 0.00 0.00 57.88 58.29 1x4h h LEU 74 Cb 1.91 0.06 -0.09 0.00 0.09 0.00 0.00 40.66 42.64 1x4h h LEU 74 CO 0.15 -0.08 1.03 0.00 0.09 0.00 0.00 178.44 179.64 1x4h h ALA 75 N -1.69 3.19 0.14 1.53 0.00 -1.66 1.04 119.26 121.82 1x4h h ALA 75 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.58 1x4h h ALA 75 Cb 0.21 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1x4h h ALA 75 CO 0.05 -1.70 -1.43 0.00 0.00 0.00 0.00 179.25 176.16 1x4h h ALA 76 N 1.35 0.14 0.00 0.00 0.00 -1.59 -3.29 119.26 115.86 1x4h h ALA 76 Ca 0.77 -1.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1x4h h ALA 76 Cb 2.81 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 20.77 1x4h h ALA 76 CO -0.16 1.01 -0.18 0.00 0.00 0.00 0.00 179.25 179.93 1x4h h ALA 77 N 0.46 0.96 -1.66 0.00 0.00 0.34 -3.11 119.26 116.24 1x4h h ALA 77 Ca -0.21 -0.16 -0.56 0.00 0.00 0.00 0.00 54.91 53.98 1x4h h ALA 77 Cb 2.03 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.72 1x4h h ALA 77 CO 0.19 0.22 0.98 0.45 0.00 0.00 0.00 179.25 181.10 1x4h s SER 78 N -6.13 6.48 0.60 0.00 0.15 0.13 -3.70 113.70 111.23 1x4h s SER 78 Ca 0.02 0.35 0.40 0.00 0.70 0.00 0.00 55.95 57.42 1x4h s SER 78 Cb 0.08 -2.55 2.12 0.00 -1.71 0.00 0.00 66.02 63.97 1x4h s SER 78 CO 0.64 -1.41 2.23 0.17 1.20 0.00 0.00 173.24 176.07 1x4h h LEU 79 N 11.78 0.00 -0.11 3.45 -0.00 -1.87 -2.33 115.31 126.23 1x4h h LEU 79 Ca -0.25 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.59 1x4h h LEU 79 Cb 1.07 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.72 1x4h h LEU 79 CO 1.15 0.00 -0.12 -0.08 -0.00 0.00 0.00 178.44 179.39 1x4h h GLU 80 N 0.00 0.27 -7.06 0.17 4.81 -1.92 -3.39 114.58 107.46 1x4h h GLU 80 Ca 0.00 -0.15 -0.44 0.00 -0.13 0.00 0.00 59.36 58.64 1x4h h GLU 80 Cb 0.07 0.01 0.22 0.00 0.63 0.00 0.00 28.75 29.68 1x4h h GLU 80 CO 0.00 0.69 -0.17 0.00 -0.73 0.00 0.00 179.01 178.80 1x4h n ALA 81 N -2.41 -3.09 -1.37 2.92 0.00 -0.88 -4.98 120.51 110.70 1x4h n ALA 81 Ca -0.07 -1.20 -0.31 0.00 0.00 0.00 0.00 53.44 51.87 1x4h n ALA 81 Cb 0.34 -1.93 0.09 0.00 0.00 0.00 0.00 19.45 17.95 1x4h n ALA 81 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1x4h s GLU 82 N -4.26 2.26 0.00 0.00 0.41 -1.26 -3.99 118.70 111.87 1x4h s GLU 82 Ca 0.67 0.99 0.00 0.00 -0.41 0.00 0.00 54.97 56.22 1x4h s GLU 82 Cb -0.24 -1.91 0.00 0.00 -1.78 0.00 0.00 34.13 30.20 1x4h s GLU 82 CO 0.65 -1.59 0.00 0.41 -0.49 0.00 0.00 175.26 174.25 1x4h n GLY 83 N -1.52 2.55 0.00 -1.39 0.00 -1.26 -4.87 105.19 98.69 1x4h n GLY 83 Ca 0.08 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 4.05 3.46 -0.02 0.00 -1.26 -5.12 105.19 106.30 1x4h n GLY 84 Ca 0.00 -1.20 -0.30 0.00 0.00 0.00 0.00 46.02 44.52 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 1.50 0.07 -0.02 0.00 -1.25 -4.76 107.32 102.86 1x4h s GLY 85 Ca 0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 44.72 44.02 1x4h s GLY 85 CO 0.00 0.21 0.28 1.08 0.00 0.00 0.00 173.10 174.67 1x4h s LEU 86 N -7.34 4.33 -0.01 0.66 1.02 -1.17 -4.91 118.68 111.26 1x4h s LEU 86 Ca 0.69 0.46 0.00 0.00 0.02 0.00 0.00 54.13 55.30 1x4h s LEU 86 Cb -0.15 -2.96 0.01 0.00 0.02 0.00 0.00 46.19 43.10 1x4h s LEU 86 CO 0.59 0.16 0.01 -0.54 0.02 0.00 0.00 176.35 176.59 1x4h s LYS 87 N -2.30 0.02 -0.33 1.70 1.02 -1.26 -1.87 119.74 116.71 1x4h s LYS 87 Ca 0.34 0.07 0.00 0.00 0.02 0.00 0.00 55.97 56.40 1x4h s LYS 87 Cb -0.13 -0.14 0.08 0.00 -0.52 0.00 0.00 37.83 37.12 1x4h s LYS 87 CO 0.23 -0.07 0.05 -1.17 -0.92 0.00 0.00 175.35 173.47 1x4h s LEU 88 N 0.47 4.42 -1.41 3.17 2.96 0.52 -4.64 118.68 124.16 1x4h s LEU 88 Ca -0.04 -1.73 -0.00 0.00 -0.22 0.00 0.00 54.13 52.14 1x4h s LEU 88 Cb -0.06 -1.70 0.00 0.00 0.50 0.00 0.00 46.19 44.93 1x4h s LEU 88 CO -0.01 -0.36 0.02 0.47 -1.32 0.00 0.00 176.35 175.15 1x4h n ASP 89 N 4.49 -4.93 0.00 3.68 8.00 -1.26 -2.02 116.55 124.51 1x4h n ASP 89 Ca -0.06 -0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.41 1x4h n ASP 89 Cb 0.42 -4.02 0.00 0.00 -0.02 0.00 0.00 41.12 37.50 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 -1.03 0.64 3.06 0.44 0.00 -1.26 -5.05 105.19 101.97 1x4h n GLY 90 Ca -0.19 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.06 2.48 0.22 1.61 1.81 -0.86 -5.10 118.95 118.06 1x4h s ARG 91 Ca 0.00 -0.80 -0.32 0.00 -1.72 0.00 0.00 55.73 52.89 1x4h s ARG 91 Cb 0.00 -2.43 -0.12 0.00 -0.45 0.00 0.00 34.95 31.95 1x4h s ARG 91 CO 0.00 -0.31 1.72 0.94 -0.68 0.00 0.00 175.30 176.97 1x4h n GLN 92 N 4.66 2.79 -4.09 3.54 -0.06 -1.26 -0.36 117.38 122.60 1x4h n GLN 92 Ca -0.18 1.00 -0.35 0.00 -2.00 0.00 0.00 57.00 55.48 1x4h n GLN 92 Cb 0.48 -2.85 -0.09 0.00 -4.06 0.00 0.00 30.24 23.73 1x4h n GLN 92 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1x4h s LEU 93 N 1.01 3.82 -0.38 1.69 1.43 -0.78 -4.65 118.68 120.82 1x4h s LEU 93 Ca 0.74 0.15 -0.05 0.00 -1.03 0.00 0.00 54.13 53.93 1x4h s LEU 93 Cb -0.50 -1.94 0.08 0.00 0.03 0.00 0.00 46.19 43.86 1x4h s LEU 93 CO 0.34 0.26 0.17 -0.54 0.23 0.00 0.00 176.35 176.81 1x4h s LYS 94 N -0.15 2.38 -0.21 1.70 1.02 -0.73 -4.60 119.74 119.16 1x4h s LYS 94 Ca 0.07 -1.50 -0.13 0.00 0.02 0.00 0.00 55.97 54.43 1x4h s LYS 94 Cb -0.12 -3.56 -0.05 0.00 -0.52 0.00 0.00 37.83 33.58 1x4h s LYS 94 CO 0.01 -0.89 0.25 0.08 -0.92 0.00 0.00 175.35 173.88 1x4h s VAL 95 N 1.30 5.31 0.01 3.17 1.01 -1.25 -0.46 120.40 129.48 1x4h s VAL 95 Ca 0.03 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1x4h s VAL 95 Cb -0.22 -3.59 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 1x4h s VAL 95 CO -0.00 0.34 -0.01 -0.62 0.00 0.00 0.00 175.10 174.81 1x4h s ASP 96 N 0.85 0.07 -0.52 3.32 -1.08 -0.21 -4.71 116.67 114.39 1x4h s ASP 96 Ca 0.13 -0.13 -0.26 0.00 -0.52 0.00 0.00 52.55 51.77 1x4h s ASP 96 Cb -0.13 0.02 -0.06 0.00 -1.46 0.00 0.00 42.92 41.29 1x4h s ASP 96 CO 0.04 -0.08 2.32 -0.22 0.52 0.00 0.00 175.17 177.76 1x4h s LEU 97 N -0.37 3.37 0.00 -1.34 1.98 -1.26 0.01 118.68 121.07 1x4h s LEU 97 Ca -0.04 0.93 -0.07 0.00 -2.89 0.00 0.00 54.13 52.06 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 -2.83 0.77 0.00 -1.89 0.00 0.00 176.35 172.39 1x4h n ALA 98 N 15.51 -0.58 -3.61 5.97 0.00 -1.26 -4.92 120.51 131.62 1x4h n ALA 98 Ca 0.34 -1.16 -0.13 0.00 0.00 0.00 0.00 53.44 52.49 1x4h n ALA 98 Cb 0.54 0.04 -0.07 0.00 0.00 0.00 0.00 19.45 19.96 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 -2.50 0.00 -0.44 0.00 0.11 -1.26 -4.52 120.40 111.79 1x4h s VAL 99 Ca 0.46 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.22 1x4h s VAL 99 Cb -0.02 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.85 1x4h s VAL 99 CO 0.32 0.00 1.38 0.42 -3.33 0.00 0.00 175.10 173.89 1x4h s THR 100 N -0.03 3.92 -0.78 5.04 -4.23 -1.26 -4.96 115.64 113.35 1x4h s THR 100 Ca -0.01 0.93 -0.04 0.00 -1.18 0.00 0.00 61.69 61.39 1x4h s THR 100 Cb -0.04 -4.28 0.20 0.00 1.34 0.00 0.00 72.50 69.72 1x4h s THR 100 CO 0.01 -0.83 0.64 -0.13 -0.54 0.00 0.00 174.62 173.77 1x4h s ARG 101 N 4.95 3.02 -0.84 3.99 1.81 -1.26 -5.01 118.95 125.61 1x4h s ARG 101 Ca 0.59 -2.87 -0.23 0.00 -1.72 0.00 0.00 55.73 51.49 1x4h s ARG 101 Cb -0.12 -3.92 -0.18 0.00 -0.45 0.00 0.00 34.95 30.28 1x4h s ARG 101 CO 0.32 -1.23 2.32 -0.40 -0.68 0.00 0.00 175.30 175.63 1x4h n ASP 102 N 3.01 1.25 -4.57 0.23 5.68 -1.26 -4.80 116.55 116.08 1x4h n ASP 102 Ca 0.15 -1.49 -0.13 0.00 -0.50 0.00 0.00 54.79 52.81 1x4h n ASP 102 Cb 0.38 -1.51 -0.09 0.00 -1.14 0.00 0.00 41.12 38.77 1x4h n ASP 102 CO 0.00 0.00 0.00 -1.83 -1.33 0.00 0.00 177.20 174.04 1x4h s GLU 103 N 8.56 1.38 0.26 0.11 -1.05 -1.26 -4.79 118.70 121.91 1x4h s GLU 103 Ca 0.95 0.13 -0.21 0.00 -0.15 0.00 0.00 54.97 55.69 1x4h s GLU 103 Cb -0.21 -4.86 0.02 0.00 -0.44 0.00 0.00 34.13 28.65 1x4h s GLU 103 CO 0.16 -4.95 0.68 0.00 0.95 0.00 0.00 175.26 172.11 1x4h s ALA 104 N 15.94 -1.19 0.85 -0.84 0.00 -1.26 -5.17 121.76 130.09 1x4h s ALA 104 Ca 0.89 -0.25 -0.11 0.00 0.00 0.00 0.00 51.96 52.48 1x4h s ALA 104 Cb -0.10 0.87 0.10 0.00 0.00 0.00 0.00 23.12 23.99 1x4h s ALA 104 CO 0.12 -0.99 1.09 0.00 0.00 0.00 0.00 175.76 175.99 1x4h s ALA 105 N -3.90 1.84 -0.30 0.00 0.00 -1.26 -5.01 121.76 113.12 1x4h s ALA 105 Ca 0.10 -0.09 0.15 0.00 0.00 0.00 0.00 51.96 52.13 1x4h s ALA 105 Cb -0.05 -3.17 0.47 0.00 0.00 0.00 0.00 23.12 20.37 1x4h s ALA 105 CO 0.05 -2.10 1.11 -1.13 0.00 0.00 0.00 175.76 173.69 1x4h n SER 106 N -3.70 3.05 0.00 0.00 3.41 -1.26 -5.12 113.62 110.00 1x4h n SER 106 Ca 0.07 -2.92 0.00 0.00 -0.26 0.00 0.00 58.87 55.76 1x4h n SER 106 Cb 0.55 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 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 -0.53 0.74 3.57 5.00 0.00 -1.26 -4.70 105.19 108.01 1x4h n GLY 107 Ca 0.23 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 -1.65 -0.29 1.61 0.04 -1.26 -5.10 135.00 128.36 1x4h s PRO 108 Ca 0.00 -0.22 -0.18 0.00 0.04 0.00 0.00 61.00 60.64 1x4h s PRO 108 Cb 0.00 -1.56 0.15 0.00 0.04 0.00 0.00 34.50 33.13 1x4h s PRO 108 CO 0.00 -3.96 1.03 0.45 0.04 0.00 0.00 177.00 174.56 1x4h s SER 109 N -4.01 -0.44 0.23 6.66 0.15 -1.26 -5.14 113.70 109.88 1x4h s SER 109 Ca 0.72 0.74 -0.32 0.00 0.70 0.00 0.00 55.95 57.79 1x4h s SER 109 Cb -0.07 1.08 -0.14 0.00 -1.71 0.00 0.00 66.02 65.18 1x4h s SER 109 CO 0.56 -0.12 1.39 -1.20 1.20 0.00 0.00 173.24 175.07 1x4h n SER 110 N 3.27 2.62 0.00 5.45 7.64 -1.26 -5.29 113.62 126.05 1x4h n SER 110 Ca -0.17 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.85 1x4h n SER 110 Cb 0.57 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.37 1x4h n SER 110 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64