#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4h n SER 2 N 0.00 -3.02 -4.09 1.61 2.88 -1.26 -4.92 113.62 104.82 1x4h n SER 2 Ca 0.00 -1.06 -0.32 0.00 -1.33 0.00 0.00 58.87 56.16 1x4h n SER 2 Cb 0.00 -2.53 -0.16 0.00 -0.75 0.00 0.00 64.21 60.78 1x4h n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x4h s SER 3 N -3.28 3.67 -0.33 -3.46 0.01 -1.26 -4.95 113.70 104.09 1x4h s SER 3 Ca 0.76 -0.96 0.12 0.00 1.31 0.00 0.00 55.95 57.18 1x4h s SER 3 Cb -0.42 -1.50 0.38 0.00 0.21 0.00 0.00 66.02 64.70 1x4h s SER 3 CO 0.95 -0.08 1.46 0.61 0.41 0.00 0.00 173.24 176.59 1x4h n GLY 4 N 4.55 1.76 3.52 3.44 0.00 -1.26 -5.09 105.19 112.10 1x4h n GLY 4 Ca -0.18 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.30 1x4h n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x4h n SER 5 N -1.30 1.30 -4.90 1.61 7.64 -1.26 -4.90 113.62 111.81 1x4h n SER 5 Ca -0.15 -0.14 -0.28 0.00 1.01 0.00 0.00 58.87 59.31 1x4h n SER 5 Cb 0.85 -1.25 0.02 0.00 -1.01 0.00 0.00 64.21 62.83 1x4h n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x4h s SER 6 N 10.51 5.89 0.47 6.43 1.04 -1.26 -5.09 113.70 131.69 1x4h s SER 6 Ca 1.17 0.98 0.08 0.00 0.48 0.00 0.00 55.95 58.67 1x4h s SER 6 Cb -0.73 -2.05 0.03 0.00 0.10 0.00 0.00 66.02 63.36 1x4h s SER 6 CO 0.38 -0.93 0.60 -0.83 0.98 0.00 0.00 173.24 173.45 1x4h s GLY 7 N -4.23 1.93 0.32 7.32 0.00 -1.26 -5.06 107.32 106.34 1x4h s GLY 7 Ca 0.53 -1.81 -0.29 0.00 0.00 0.00 0.00 44.72 43.15 1x4h s GLY 7 CO 0.48 -1.59 1.49 0.48 0.00 0.00 0.00 173.10 173.96 1x4h s LEU 8 N -4.41 4.35 0.66 0.66 0.05 -1.26 -4.98 118.68 113.75 1x4h s LEU 8 Ca 0.55 2.91 -0.15 0.00 0.05 0.00 0.00 54.13 57.49 1x4h s LEU 8 Cb -0.08 -3.65 -0.00 0.00 -2.05 0.00 0.00 46.19 40.41 1x4h s LEU 8 CO 0.34 -0.81 1.11 -2.16 -0.55 0.00 0.00 176.35 174.28 1x4h s PRO 9 N -1.29 2.82 0.07 1.48 0.04 -1.26 -5.01 135.00 131.85 1x4h s PRO 9 Ca 0.56 1.40 -0.00 0.00 0.04 0.00 0.00 61.00 63.00 1x4h s PRO 9 Cb -0.45 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.14 1x4h s PRO 9 CO 0.54 -1.24 -0.00 0.43 0.04 0.00 0.00 177.00 176.77 1x4h n SER 10 N -2.39 0.83 -4.41 6.66 7.64 -1.26 -4.99 113.62 115.70 1x4h n SER 10 Ca 0.10 0.10 -0.50 0.00 1.01 0.00 0.00 58.87 59.59 1x4h n SER 10 Cb 0.52 -0.25 -0.10 0.00 -1.01 0.00 0.00 64.21 63.37 1x4h n SER 10 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1x4h n ASP 11 N -3.37 1.32 -0.06 6.43 2.03 -1.26 -4.81 116.55 116.82 1x4h n ASP 11 Ca -0.00 0.35 -0.17 0.00 0.52 0.00 0.00 54.79 55.49 1x4h n ASP 11 Cb 0.14 -1.11 -0.13 0.00 -0.72 0.00 0.00 41.12 39.30 1x4h n ASP 11 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1x4h h VAL 12 N 7.33 1.54 -2.68 5.18 2.07 -2.03 -3.46 116.25 124.21 1x4h h VAL 12 Ca -0.17 -2.33 -0.54 0.00 0.82 0.00 0.00 66.70 64.48 1x4h h VAL 12 Cb 1.34 3.09 0.23 0.00 -1.52 0.00 0.00 31.29 34.43 1x4h h VAL 12 CO 1.14 0.56 -1.23 0.35 0.02 0.00 0.00 177.57 178.41 1x4h n THR 13 N -4.49 0.04 -1.55 2.57 -2.24 -1.26 -4.67 114.28 102.68 1x4h n THR 13 Ca -0.16 -0.36 -0.35 0.00 -2.27 0.00 0.00 64.05 60.91 1x4h n THR 13 Cb 0.58 -0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.47 1x4h n THR 13 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x4h n GLU 14 N 0.48 1.01 -1.06 -0.78 1.02 -1.26 -4.76 120.64 115.29 1x4h n GLU 14 Ca 0.02 -0.04 -0.02 0.00 -0.02 0.00 0.00 57.16 57.10 1x4h n GLU 14 Cb 0.55 -3.45 0.15 0.00 -0.02 0.00 0.00 31.44 28.67 1x4h n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x4h n GLY 15 N 6.05 5.20 3.15 0.62 0.00 -1.26 -4.99 105.19 113.95 1x4h n GLY 15 Ca 0.38 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.43 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 -3.18 2.94 0.07 1.61 1.02 -1.26 -4.92 119.74 116.02 1x4h s LYS 16 Ca 0.41 -0.88 -0.01 0.00 0.02 0.00 0.00 55.97 55.51 1x4h s LYS 16 Cb 0.38 -2.72 -0.04 0.00 -0.52 0.00 0.00 37.83 34.93 1x4h s LYS 16 CO -0.05 -0.27 -0.01 0.99 -0.92 0.00 0.00 175.35 175.09 1x4h s THR 17 N 1.30 0.19 -0.21 2.17 2.01 -1.26 -4.19 115.64 115.65 1x4h s THR 17 Ca 0.03 -1.83 -0.07 0.00 0.31 0.00 0.00 61.69 60.13 1x4h s THR 17 Cb -0.14 -1.64 0.10 0.00 0.01 0.00 0.00 72.50 70.82 1x4h s THR 17 CO -0.10 -0.88 0.44 0.68 -0.69 0.00 0.00 174.62 174.07 1x4h s VAL 18 N -3.95 -0.68 -0.18 3.82 -7.23 -0.78 -3.96 120.40 107.44 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 -0.01 0.00 0.56 0.00 0.00 36.38 36.30 1x4h s VAL 18 CO -0.07 0.06 -0.08 0.12 -0.31 0.00 0.00 175.10 174.81 1x4h s PHE 19 N 2.64 2.90 -0.15 2.82 5.36 0.11 -0.09 117.98 131.57 1x4h s PHE 19 Ca -0.01 -0.78 -0.10 0.00 -0.96 0.00 0.00 56.93 55.08 1x4h s PHE 19 Cb -0.12 -1.98 -0.05 0.00 -0.34 0.00 0.00 43.02 40.53 1x4h s PHE 19 CO -0.13 -0.37 0.19 0.42 -1.46 0.00 0.00 175.22 173.87 1x4h s ILE 20 N 0.91 5.39 0.11 3.12 1.09 -0.11 -0.94 121.20 130.76 1x4h s ILE 20 Ca -0.02 0.33 0.10 0.00 -1.10 0.00 0.00 60.65 59.96 1x4h s ILE 20 Cb -0.15 -3.50 -0.04 0.00 -1.06 0.00 0.00 42.46 37.71 1x4h s ILE 20 CO 0.00 0.50 -0.23 -0.13 -0.10 0.00 0.00 174.94 174.98 1x4h s ARG 21 N -0.23 1.60 -0.47 2.79 0.52 0.98 -1.99 118.95 122.15 1x4h s ARG 21 Ca 0.14 -1.25 -0.00 0.00 -0.52 0.00 0.00 55.73 54.09 1x4h s ARG 21 Cb -0.12 -2.00 0.00 0.00 0.52 0.00 0.00 34.95 33.35 1x4h s ARG 21 CO 0.03 0.47 0.40 -1.71 0.02 0.00 0.00 175.30 174.50 1x4h n ASN 22 N 0.97 -2.10 -4.84 0.23 5.15 0.19 -1.48 115.26 113.38 1x4h n ASN 22 Ca -0.17 -0.24 -0.33 0.00 -0.60 0.00 0.00 54.58 53.24 1x4h n ASN 22 Cb 0.53 -2.31 -0.06 0.00 -0.53 0.00 0.00 39.78 37.41 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 -3.69 3.95 0.05 1.20 1.43 -0.60 -4.59 118.68 116.42 1x4h s LEU 23 Ca 0.01 1.49 -0.18 0.00 -1.03 0.00 0.00 54.13 54.42 1x4h s LEU 23 Cb -0.01 -4.33 -0.06 0.00 0.03 0.00 0.00 46.19 41.82 1x4h s LEU 23 CO 0.29 -0.33 0.52 -0.55 0.23 0.00 0.00 176.35 176.51 1x4h s SER 24 N -2.37 6.98 0.29 2.29 0.15 -1.26 -4.23 113.70 115.55 1x4h s SER 24 Ca 0.58 1.17 0.03 0.00 0.70 0.00 0.00 55.95 58.43 1x4h s SER 24 Cb -0.10 -2.33 0.66 0.00 -1.71 0.00 0.00 66.02 62.55 1x4h s SER 24 CO 0.18 0.28 1.76 -0.26 1.20 0.00 0.00 173.24 176.40 1x4h h PHE 25 N 4.65 0.91 -0.01 3.44 0.04 -1.88 0.33 116.94 124.41 1x4h h PHE 25 Ca -0.50 0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.28 1x4h h PHE 25 Cb 1.21 -0.26 -0.00 0.00 2.20 0.00 0.00 35.95 39.10 1x4h h PHE 25 CO 0.69 0.18 -0.12 0.22 -0.60 0.00 0.00 178.31 178.68 1x4h h ASP 26 N 0.67 0.02 -2.60 2.17 1.82 -1.93 -3.40 116.42 113.16 1x4h h ASP 26 Ca 0.53 -0.00 -0.58 0.00 -0.39 0.00 0.00 57.03 56.59 1x4h h ASP 26 Cb 0.83 -0.00 0.19 0.00 0.68 0.00 0.00 39.33 41.02 1x4h h ASP 26 CO -0.39 0.14 -0.81 -1.54 -1.61 0.00 0.00 179.24 175.03 1x4h n SER 27 N -4.39 -2.51 -3.85 2.28 3.41 0.12 -5.00 113.62 103.68 1x4h n SER 27 Ca -0.02 0.61 -0.14 0.00 -0.26 0.00 0.00 58.87 59.06 1x4h n SER 27 Cb 0.20 -1.03 -0.15 0.00 -0.26 0.00 0.00 64.21 62.97 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 -1.90 0.06 0.28 4.33 2.02 -1.26 -4.94 118.70 117.29 1x4h s GLU 28 Ca 0.61 0.04 0.06 0.00 0.02 0.00 0.00 54.97 55.69 1x4h s GLU 28 Cb -0.41 -0.15 0.80 0.00 0.10 0.00 0.00 34.13 34.47 1x4h s GLU 28 CO 0.62 -0.04 1.35 -1.91 0.02 0.00 0.00 175.26 175.30 1x4h n GLU 29 N 3.45 -0.06 0.41 1.61 2.13 -1.26 0.13 120.64 127.05 1x4h n GLU 29 Ca -0.18 1.26 -0.18 0.00 0.66 0.00 0.00 57.16 58.72 1x4h n GLU 29 Cb 0.56 -2.07 -0.09 0.00 0.27 0.00 0.00 31.44 30.11 1x4h n GLU 29 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1x4h h GLU 30 N 0.00 -0.98 0.01 5.31 5.08 -1.96 -2.23 114.58 119.80 1x4h h GLU 30 Ca 0.58 0.07 0.02 0.00 -1.00 0.00 0.00 59.36 59.03 1x4h h GLU 30 Cb 1.31 0.22 -0.03 0.00 0.50 0.00 0.00 28.75 30.76 1x4h h GLU 30 CO -0.77 -0.65 -0.13 0.00 -1.00 0.00 0.00 179.01 176.46 1x4h h ALA 31 N -0.82 -0.16 -0.61 3.43 0.00 -0.72 -1.31 119.26 119.08 1x4h h ALA 31 Ca -0.10 0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.91 1x4h h ALA 31 Cb 0.79 0.23 -0.11 0.00 0.00 0.00 0.00 17.79 18.69 1x4h h ALA 31 CO 0.17 -0.62 -0.37 1.25 0.00 0.00 0.00 179.25 179.68 1x4h h LEU 32 N -0.22 -1.27 -0.23 0.00 6.46 -0.52 -0.89 115.31 118.64 1x4h h LEU 32 Ca 0.04 0.24 -0.00 0.00 -0.12 0.00 0.00 57.88 58.04 1x4h h LEU 32 Cb 0.28 0.62 -0.01 0.00 -0.73 0.00 0.00 40.66 40.82 1x4h h LEU 32 CO -0.13 -0.31 0.14 1.23 -0.62 0.00 0.00 178.44 178.75 1x4h h GLY 33 N -0.17 0.33 0.95 3.75 0.00 -1.15 -1.80 103.07 104.98 1x4h h GLY 33 Ca 0.22 -0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.47 1x4h h GLY 33 CO -0.70 0.13 0.47 0.83 0.00 0.00 0.00 176.54 177.27 1x4h h GLU 34 N 0.29 0.00 0.00 4.80 5.08 -0.00 0.43 114.58 125.18 1x4h h GLU 34 Ca 0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1x4h h GLU 34 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1x4h h GLU 34 CO -0.02 0.00 -0.07 0.28 -1.00 0.00 0.00 179.01 178.20 1x4h h VAL 35 N 0.00 1.50 0.00 3.13 2.07 -0.53 -3.33 116.25 119.09 1x4h h VAL 35 Ca 0.09 -2.15 -0.03 0.00 0.82 0.00 0.00 66.70 65.42 1x4h h VAL 35 Cb 1.03 2.87 -0.00 0.00 -1.52 0.00 0.00 31.29 33.66 1x4h h VAL 35 CO -0.00 0.51 -0.16 -0.07 0.02 0.00 0.00 177.57 177.87 1x4h h LEU 36 N -1.00 0.00 -2.31 2.57 3.38 -0.93 -2.91 115.31 114.11 1x4h h LEU 36 Ca -0.02 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1x4h h LEU 36 Cb 0.88 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1x4h h LEU 36 CO -0.01 0.16 0.20 1.56 0.09 0.00 0.00 178.44 180.43 1x4h h GLN 37 N 0.00 0.00 -0.14 1.13 4.20 -0.32 0.42 115.11 120.39 1x4h h GLN 37 Ca -0.00 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 1x4h h GLN 37 Cb 0.69 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 1x4h h GLN 37 CO 0.02 0.00 -0.21 -0.56 -0.67 0.00 0.00 178.83 177.41 1x4h h GLN 38 N 0.00 0.25 -0.78 1.46 3.07 -1.67 -2.13 115.11 115.31 1x4h h GLN 38 Ca 0.06 -0.07 -0.09 0.00 0.09 0.00 0.00 58.65 58.63 1x4h h GLN 38 Cb 0.45 -0.03 -0.06 0.00 0.08 0.00 0.00 27.48 27.93 1x4h h GLN 38 CO -0.00 0.45 0.12 1.19 0.09 0.00 0.00 178.83 180.68 1x4h n PHE 39 N -4.20 1.66 0.00 0.06 3.72 0.13 -4.98 117.46 113.86 1x4h n PHE 39 Ca -0.01 -0.76 0.00 0.00 -0.05 0.00 0.00 57.45 56.64 1x4h n PHE 39 Cb 0.33 -0.49 0.00 0.00 -0.94 0.00 0.00 39.48 38.38 1x4h n PHE 39 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1x4h n GLY 40 N 0.16 3.60 3.77 1.37 0.00 -0.80 -4.57 105.19 108.72 1x4h n GLY 40 Ca 0.26 -1.76 -0.40 0.00 0.00 0.00 0.00 46.02 44.11 1x4h n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x4h s ASP 41 N 0.00 6.11 -0.20 1.61 1.11 -1.26 -3.95 116.67 120.09 1x4h s ASP 41 Ca 0.00 2.97 -0.10 0.00 0.18 0.00 0.00 52.55 55.61 1x4h s ASP 41 Cb 0.00 -2.66 -0.05 0.00 1.07 0.00 0.00 42.92 41.28 1x4h s ASP 41 CO 0.00 -1.02 0.12 -0.76 1.18 0.00 0.00 175.17 174.69 1x4h s LEU 42 N -2.42 4.15 -0.06 1.23 1.43 -1.26 -2.13 118.68 119.63 1x4h s LEU 42 Ca 0.57 0.21 -0.27 0.00 -1.03 0.00 0.00 54.13 53.61 1x4h s LEU 42 Cb -0.45 -2.07 -0.22 0.00 0.03 0.00 0.00 46.19 43.48 1x4h s LEU 42 CO 0.59 0.18 1.12 0.50 0.23 0.00 0.00 176.35 178.97 1x4h h LYS 43 N 6.67 -0.00 -2.66 1.70 1.63 -0.33 -3.47 116.57 120.11 1x4h h LYS 43 Ca -0.40 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.28 1x4h h LYS 43 Cb 1.15 0.00 -0.25 0.00 -0.60 0.00 0.00 32.23 32.53 1x4h h LYS 43 CO 0.75 0.63 -0.24 1.52 -3.45 0.00 0.00 179.45 178.66 1x4h s TYR 44 N -3.67 -0.54 -0.24 1.91 -0.85 -1.24 -5.00 117.35 107.72 1x4h s TYR 44 Ca -0.17 1.23 0.01 0.00 -0.52 0.00 0.00 57.07 57.63 1x4h s TYR 44 Cb 0.00 0.22 0.06 0.00 0.38 0.00 0.00 41.96 42.62 1x4h s TYR 44 CO 0.68 -0.28 -0.06 0.54 -1.52 0.00 0.00 175.55 174.91 1x4h s VAL 45 N 0.75 1.65 -0.05 -3.49 0.11 -1.26 -1.42 120.40 116.69 1x4h s VAL 45 Ca -0.04 -1.34 0.05 0.00 -2.93 0.00 0.00 61.98 57.72 1x4h s VAL 45 Cb -0.05 -1.91 -0.01 0.00 -1.53 0.00 0.00 36.38 32.89 1x4h s VAL 45 CO -0.06 -0.12 -0.20 -0.60 -3.33 0.00 0.00 175.10 170.80 1x4h s ARG 46 N 1.33 2.01 -0.28 1.54 6.06 -0.17 -4.95 118.95 124.50 1x4h s ARG 46 Ca -0.05 -0.70 -0.01 0.00 -2.50 0.00 0.00 55.73 52.47 1x4h s ARG 46 Cb -0.19 -1.74 0.05 0.00 0.06 0.00 0.00 34.95 33.13 1x4h s ARG 46 CO -0.06 0.29 -0.03 0.54 -2.50 0.00 0.00 175.30 173.53 1x4h s VAL 47 N -0.03 2.80 0.31 7.11 0.11 -1.26 -0.35 120.40 129.09 1x4h s VAL 47 Ca -0.04 -1.37 -0.30 0.00 -2.93 0.00 0.00 61.98 57.35 1x4h s VAL 47 Cb -0.12 -2.58 -0.11 0.00 -1.53 0.00 0.00 36.38 32.03 1x4h s VAL 47 CO 0.03 -0.04 1.57 0.54 -3.33 0.00 0.00 175.10 173.87 1x4h s VAL 48 N 1.24 2.08 0.35 2.04 0.11 -1.22 -4.88 120.40 120.11 1x4h s VAL 48 Ca -0.05 0.07 0.06 0.00 -2.93 0.00 0.00 61.98 59.12 1x4h s VAL 48 Cb -0.19 -3.04 -0.01 0.00 -1.53 0.00 0.00 36.38 31.60 1x4h s VAL 48 CO -0.02 0.01 0.49 -0.76 -3.33 0.00 0.00 175.10 171.49 1x4h s LEU 49 N -0.81 3.94 0.33 2.54 1.43 -1.26 -2.82 118.68 122.04 1x4h s LEU 49 Ca 0.61 -0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 53.33 1x4h s LEU 49 Cb -0.47 -2.82 -0.12 0.00 0.03 0.00 0.00 46.19 42.80 1x4h s LEU 49 CO 0.51 -0.45 1.37 1.57 0.23 0.00 0.00 176.35 179.57 1x4h n HIS 50 N -1.69 2.44 0.98 0.29 -0.00 -1.22 -4.77 115.22 111.26 1x4h n HIS 50 Ca -0.00 0.49 0.05 0.00 0.46 0.00 0.00 57.72 58.72 1x4h n HIS 50 Cb 0.58 -2.46 0.31 0.00 -0.12 0.00 0.00 29.99 28.31 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 0.87 0.49 0.11 1.57 -0.04 -1.26 -3.90 135.00 132.84 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 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 -0.84 0.26 -4.91 3.54 2.03 -1.26 -5.11 116.55 110.25 1x4h n ASP 52 Ca 0.08 0.36 -0.25 0.00 0.52 0.00 0.00 54.79 55.50 1x4h n ASP 52 Cb 0.04 0.15 0.07 0.00 -0.72 0.00 0.00 41.12 40.65 1x4h n ASP 52 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1x4h s THR 53 N -2.00 2.32 -0.56 5.18 -4.23 -1.25 -5.00 115.64 110.09 1x4h s THR 53 Ca 0.00 -0.33 0.01 0.00 -1.18 0.00 0.00 61.69 60.19 1x4h s THR 53 Cb 0.00 -2.99 0.50 0.00 1.34 0.00 0.00 72.50 71.35 1x4h s THR 53 CO 0.00 0.00 1.90 1.21 -0.54 0.00 0.00 174.62 177.19 1x4h n GLU 54 N -2.86 2.65 -2.07 3.99 4.07 -1.26 -3.86 120.64 121.30 1x4h n GLU 54 Ca 0.08 -3.32 -0.11 0.00 -0.06 0.00 0.00 57.16 53.75 1x4h n GLU 54 Cb 0.60 -2.24 0.04 0.00 -0.06 0.00 0.00 31.44 29.79 1x4h n GLU 54 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 1x4h n HIS 55 N -0.96 -2.66 -3.28 4.31 8.25 -1.26 -4.97 115.22 114.64 1x4h n HIS 55 Ca 0.59 -1.18 -0.43 0.00 -0.26 0.00 0.00 57.72 56.44 1x4h n HIS 55 Cb 0.92 -0.32 -0.08 0.00 1.12 0.00 0.00 29.99 31.62 1x4h n HIS 55 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1x4h s SER 56 N -3.07 6.22 0.90 0.41 0.15 -1.26 -3.39 113.70 113.66 1x4h s SER 56 Ca 0.35 -0.58 -0.11 0.00 0.70 0.00 0.00 55.95 56.31 1x4h s SER 56 Cb -0.03 -2.24 0.13 0.00 -1.71 0.00 0.00 66.02 62.17 1x4h s SER 56 CO 0.22 -0.60 1.09 1.17 1.20 0.00 0.00 173.24 176.32 1x4h n LYS 57 N 5.72 -0.32 -0.40 5.44 4.81 -1.13 -4.29 118.16 127.99 1x4h n LYS 57 Ca -0.06 -0.02 -0.02 0.00 -0.87 0.00 0.00 58.31 57.33 1x4h n LYS 57 Cb 0.48 -2.34 0.01 0.00 0.02 0.00 0.00 35.03 33.19 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 0.45 2.56 3.55 3.14 0.00 -1.26 -4.65 105.19 108.98 1x4h n GLY 58 Ca 0.12 -0.14 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.82 -0.84 -0.05 0.00 0.00 -0.84 -3.43 121.76 115.77 1x4h s ALA 60 Ca -0.07 -0.11 0.06 0.00 0.00 0.00 0.00 51.96 51.84 1x4h s ALA 60 Cb -0.01 0.65 -0.01 0.00 0.00 0.00 0.00 23.12 23.75 1x4h s ALA 60 CO 0.06 -0.62 -0.23 -0.06 0.00 0.00 0.00 175.76 174.92 1x4h s PHE 61 N -3.75 2.21 0.36 0.00 0.40 0.53 -0.94 117.98 116.80 1x4h s PHE 61 Ca 0.03 -0.65 0.05 0.00 -0.60 0.00 0.00 56.93 55.75 1x4h s PHE 61 Cb 0.02 -1.46 -0.03 0.00 0.51 0.00 0.00 43.02 42.06 1x4h s PHE 61 CO -0.11 -0.20 0.18 0.00 0.70 0.00 0.00 175.22 175.79 1x4h s ALA 62 N -0.10 2.40 -0.12 5.36 0.00 0.87 -1.00 121.76 129.18 1x4h s ALA 62 Ca -0.04 -1.59 -0.11 0.00 0.00 0.00 0.00 51.96 50.22 1x4h s ALA 62 Cb -0.13 1.07 0.03 0.00 0.00 0.00 0.00 23.12 24.09 1x4h s ALA 62 CO 0.03 -0.48 0.31 -1.14 0.00 0.00 0.00 175.76 174.48 1x4h s GLN 63 N -3.64 0.36 0.45 0.00 0.74 -0.51 -1.87 119.66 115.20 1x4h s GLN 63 Ca 0.31 0.43 0.08 0.00 0.05 0.00 0.00 55.36 56.23 1x4h s GLN 63 Cb 0.03 0.17 0.02 0.00 1.10 0.00 0.00 33.01 34.33 1x4h s GLN 63 CO 0.19 -0.04 0.58 -0.06 -0.55 0.00 0.00 175.29 175.41 1x4h s PHE 64 N 0.18 2.48 0.05 1.67 0.08 -1.26 0.34 117.98 121.51 1x4h s PHE 64 Ca -0.00 -0.49 -0.00 0.00 0.12 0.00 0.00 56.93 56.56 1x4h s PHE 64 Cb -0.02 -2.30 -0.26 0.00 -0.57 0.00 0.00 43.02 39.86 1x4h s PHE 64 CO 0.00 -0.53 1.02 0.52 -0.10 0.00 0.00 175.22 176.13 1x4h h MET 65 N 0.60 0.18 -4.88 0.44 2.86 -1.78 -3.40 114.93 108.96 1x4h h MET 65 Ca -0.38 -0.31 -0.39 0.00 -2.06 0.00 0.00 59.70 56.56 1x4h h MET 65 Cb 1.28 0.12 -0.26 0.00 0.06 0.00 0.00 31.60 32.79 1x4h h MET 65 CO 0.46 1.07 -0.78 0.95 1.06 0.00 0.00 176.91 179.68 1x4h s THR 66 N -2.65 0.80 0.19 2.22 -4.23 -1.26 -5.05 115.64 105.67 1x4h s THR 66 Ca -0.05 -0.66 -0.18 0.00 -1.18 0.00 0.00 61.69 59.62 1x4h s THR 66 Cb 0.08 -0.72 0.15 0.00 1.34 0.00 0.00 72.50 73.35 1x4h s THR 66 CO 0.85 0.06 1.61 1.56 -0.54 0.00 0.00 174.62 178.16 1x4h h GLN 67 N 5.43 -0.11 -0.95 3.99 4.20 -1.91 0.12 115.11 125.88 1x4h h GLN 67 Ca -0.34 0.01 0.27 0.00 0.06 0.00 0.00 58.65 58.65 1x4h h GLN 67 Cb 1.18 0.03 -0.14 0.00 0.30 0.00 0.00 27.48 28.85 1x4h h GLN 67 CO 0.47 -0.07 0.45 1.49 -0.67 0.00 0.00 178.83 180.49 1x4h h GLU 68 N -0.12 0.33 0.36 1.46 4.57 -1.99 -1.26 114.58 117.94 1x4h h GLU 68 Ca 0.24 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.40 1x4h h GLU 68 Cb 0.50 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.99 1x4h h GLU 68 CO -0.61 0.22 -0.48 0.00 -1.18 0.00 0.00 179.01 176.96 1x4h h ALA 69 N 1.79 -1.08 -1.18 2.92 0.00 -1.00 -1.40 119.26 119.30 1x4h h ALA 69 Ca 0.64 -0.16 0.35 0.00 0.00 0.00 0.00 54.91 55.74 1x4h h ALA 69 Cb 1.34 0.75 -0.11 0.00 0.00 0.00 0.00 17.79 19.78 1x4h h ALA 69 CO -0.59 -1.14 0.77 0.00 0.00 0.00 0.00 179.25 178.30 1x4h h ALA 70 N -0.86 2.53 -0.45 0.00 0.00 -1.16 0.58 119.26 119.90 1x4h h ALA 70 Ca -0.04 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1x4h h ALA 70 Cb 0.78 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1x4h h ALA 70 CO -0.12 -1.04 -0.24 1.96 0.00 0.00 0.00 179.25 179.81 1x4h h GLN 71 N 0.23 0.96 -0.12 0.00 1.08 -1.01 -2.77 115.11 113.47 1x4h h GLN 71 Ca 0.70 -0.43 -0.05 0.00 -1.45 0.00 0.00 58.65 57.42 1x4h h GLN 71 Cb 2.06 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 29.45 1x4h h GLN 71 CO -0.33 1.10 -0.15 0.87 -0.95 0.00 0.00 178.83 179.37 1x4h h LYS 72 N 0.80 0.18 -0.09 1.46 1.57 0.11 -2.29 116.57 118.32 1x4h h LYS 72 Ca 0.10 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.70 1x4h h LYS 72 Cb 0.82 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 1x4h h LYS 72 CO 0.07 0.34 -0.56 0.00 -0.57 0.00 0.00 179.45 178.74 1x4h h LEU 74 N 0.20 -0.10 -1.22 0.00 3.38 -1.15 -1.01 115.31 115.41 1x4h h LEU 74 Ca 0.00 0.00 0.41 0.00 0.09 0.00 0.00 57.88 58.39 1x4h h LEU 74 Cb 1.04 0.03 -0.15 0.00 0.09 0.00 0.00 40.66 41.67 1x4h h LEU 74 CO 0.09 -0.04 0.72 0.00 0.09 0.00 0.00 178.44 179.29 1x4h h ALA 75 N -1.88 2.44 -0.02 1.53 0.00 -1.61 1.76 119.26 121.48 1x4h h ALA 75 Ca -0.01 0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 1x4h h ALA 75 Cb 0.09 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1x4h h ALA 75 CO 0.02 -1.12 -0.75 0.00 0.00 0.00 0.00 179.25 177.40 1x4h h ALA 76 N 1.76 0.71 -0.04 0.00 0.00 -1.54 -3.18 119.26 116.96 1x4h h ALA 76 Ca 0.82 -0.65 -0.18 0.00 0.00 0.00 0.00 54.91 54.89 1x4h h ALA 76 Cb 2.34 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 20.03 1x4h h ALA 76 CO -0.55 0.86 -0.77 0.00 0.00 0.00 0.00 179.25 178.79 1x4h h ALA 77 N 1.14 0.62 -1.79 0.00 0.00 0.39 -2.20 119.26 117.42 1x4h h ALA 77 Ca -0.02 -0.64 -0.62 0.00 0.00 0.00 0.00 54.91 53.63 1x4h h ALA 77 Cb 1.32 -0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.91 1x4h h ALA 77 CO 0.11 0.82 0.51 0.45 0.00 0.00 0.00 179.25 181.14 1x4h s SER 78 N -6.94 6.28 0.57 0.00 0.15 0.28 -3.61 113.70 110.43 1x4h s SER 78 Ca -0.04 -0.57 0.26 0.00 0.70 0.00 0.00 55.95 56.30 1x4h s SER 78 Cb 0.11 -2.42 1.58 0.00 -1.71 0.00 0.00 66.02 63.58 1x4h s SER 78 CO 0.82 -1.25 2.13 0.17 1.20 0.00 0.00 173.24 176.31 1x4h h LEU 79 N 10.96 0.00 0.04 3.45 -0.00 -1.67 -2.15 115.31 125.93 1x4h h LEU 79 Ca -0.27 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.61 1x4h h LEU 79 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.73 1x4h h LEU 79 CO 1.10 0.00 -0.02 -0.08 -0.00 0.00 0.00 178.44 179.44 1x4h h GLU 80 N 0.00 -0.05 -6.30 0.17 4.81 -1.90 -3.40 114.58 107.91 1x4h h GLU 80 Ca 0.07 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.80 1x4h h GLU 80 Cb 0.36 0.01 0.24 0.00 0.63 0.00 0.00 28.75 29.99 1x4h h GLU 80 CO -0.00 0.28 -1.74 0.00 -0.73 0.00 0.00 179.01 176.82 1x4h n ALA 81 N -2.28 -4.79 -0.80 2.92 0.00 -0.81 -4.73 120.51 110.01 1x4h n ALA 81 Ca -0.08 -1.04 -0.08 0.00 0.00 0.00 0.00 53.44 52.24 1x4h n ALA 81 Cb 0.19 -1.23 -0.08 0.00 0.00 0.00 0.00 19.45 18.33 1x4h n ALA 81 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1x4h n GLU 82 N 0.68 1.57 0.10 0.00 0.00 -1.26 -3.88 120.64 117.85 1x4h n GLU 82 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 57.16 56.50 1x4h n GLU 82 Cb 0.63 -1.55 0.00 0.00 0.00 0.00 0.00 31.44 30.53 1x4h n GLU 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1x4h n GLY 83 N 1.85 -0.22 0.00 -1.84 0.00 -1.26 -5.10 105.19 98.63 1x4h n GLY 83 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 1.67 -0.63 3.00 -0.02 0.00 -1.23 -4.95 105.19 103.04 1x4h n GLY 84 Ca 0.00 -1.54 -0.16 0.00 0.00 0.00 0.00 46.02 44.31 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 0.37 0.08 -0.02 0.00 -0.86 -2.14 107.32 104.75 1x4h s GLY 85 Ca 0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 44.72 44.25 1x4h s GLY 85 CO 0.00 -0.35 0.37 1.08 0.00 0.00 0.00 173.10 174.20 1x4h s LEU 86 N -0.43 4.34 -0.04 0.66 1.02 -0.98 -4.90 118.68 118.34 1x4h s LEU 86 Ca 0.00 0.71 -0.01 0.00 0.02 0.00 0.00 54.13 54.85 1x4h s LEU 86 Cb -0.04 -2.99 0.03 0.00 0.02 0.00 0.00 46.19 43.21 1x4h s LEU 86 CO -0.00 0.16 0.07 -0.54 0.02 0.00 0.00 176.35 176.07 1x4h s LYS 87 N -2.03 0.00 -0.10 1.70 1.02 -1.26 -2.39 119.74 116.67 1x4h s LYS 87 Ca 0.34 0.28 0.02 0.00 0.02 0.00 0.00 55.97 56.62 1x4h s LYS 87 Cb -0.13 -0.25 -0.01 0.00 -0.52 0.00 0.00 37.83 36.92 1x4h s LYS 87 CO 0.19 -0.19 -0.17 -1.17 -0.92 0.00 0.00 175.35 173.09 1x4h s LEU 88 N 1.23 2.51 -0.79 3.17 2.96 0.22 -4.62 118.68 123.36 1x4h s LEU 88 Ca -0.08 -0.38 0.00 0.00 -0.22 0.00 0.00 54.13 53.45 1x4h s LEU 88 Cb -0.12 -1.53 0.00 0.00 0.50 0.00 0.00 46.19 45.03 1x4h s LEU 88 CO -0.04 0.20 0.00 0.47 -1.32 0.00 0.00 176.35 175.66 1x4h n ASP 89 N 3.29 -3.06 -0.37 3.68 8.00 -1.26 0.28 116.55 127.12 1x4h n ASP 89 Ca -0.18 0.27 -0.01 0.00 0.71 0.00 0.00 54.79 55.58 1x4h n ASP 89 Cb 0.53 -2.67 0.00 0.00 -0.02 0.00 0.00 41.12 38.95 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 -0.67 0.59 2.79 0.44 0.00 -1.26 -5.06 105.19 102.02 1x4h n GLY 90 Ca -0.11 -0.75 -0.16 0.00 0.00 0.00 0.00 46.02 45.00 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 -4.53 0.16 0.35 1.61 0.52 0.14 -5.13 118.95 112.07 1x4h s ARG 91 Ca 0.01 0.13 -0.28 0.00 -0.52 0.00 0.00 55.73 55.07 1x4h s ARG 91 Cb -0.01 -0.40 -0.11 0.00 0.52 0.00 0.00 34.95 34.95 1x4h s ARG 91 CO 0.02 -0.16 1.39 -1.14 0.02 0.00 0.00 175.30 175.42 1x4h s GLN 92 N 1.11 4.25 -0.11 3.54 -0.44 -1.26 -0.61 119.66 126.14 1x4h s GLN 92 Ca -0.09 2.37 0.00 0.00 -2.50 0.00 0.00 55.36 55.15 1x4h s GLN 92 Cb -0.13 -3.03 -0.02 0.00 -1.64 0.00 0.00 33.01 28.19 1x4h s GLN 92 CO -0.02 -0.34 -0.12 -0.51 0.50 0.00 0.00 175.29 174.79 1x4h s LEU 93 N -1.90 2.80 -0.39 3.68 1.43 -1.01 -4.63 118.68 118.67 1x4h s LEU 93 Ca 0.51 -0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 53.29 1x4h s LEU 93 Cb -0.43 -1.62 0.08 0.00 0.03 0.00 0.00 46.19 44.25 1x4h s LEU 93 CO 0.57 0.22 0.18 -0.54 0.23 0.00 0.00 176.35 177.01 1x4h s LYS 94 N 0.04 2.44 -0.16 1.70 1.02 -0.55 -4.68 119.74 119.55 1x4h s LYS 94 Ca -0.04 -1.47 -0.12 0.00 0.02 0.00 0.00 55.97 54.36 1x4h s LYS 94 Cb -0.14 -3.59 -0.05 0.00 -0.52 0.00 0.00 37.83 33.53 1x4h s LYS 94 CO 0.04 -0.88 0.24 0.08 -0.92 0.00 0.00 175.35 173.90 1x4h s VAL 95 N 1.33 5.34 -0.05 3.17 1.01 -1.25 -0.02 120.40 129.93 1x4h s VAL 95 Ca 0.02 0.42 -0.07 0.00 0.00 0.00 0.00 61.98 62.35 1x4h s VAL 95 Cb -0.22 -3.57 0.02 0.00 0.00 0.00 0.00 36.38 32.61 1x4h s VAL 95 CO 0.00 0.43 0.19 -0.62 0.00 0.00 0.00 175.10 175.10 1x4h s ASP 96 N 0.23 -0.15 -0.52 3.32 2.15 -0.12 -4.73 116.67 116.85 1x4h s ASP 96 Ca 0.14 0.25 -0.26 0.00 0.43 0.00 0.00 52.55 53.11 1x4h s ASP 96 Cb -0.12 0.35 -0.06 0.00 -0.30 0.00 0.00 42.92 42.79 1x4h s ASP 96 CO 0.03 -0.15 2.33 -0.22 -0.17 0.00 0.00 175.17 176.99 1x4h s LEU 97 N -0.28 3.38 0.93 -1.34 1.98 -1.26 0.04 118.68 122.13 1x4h s LEU 97 Ca -0.04 0.94 -0.14 0.00 -2.89 0.00 0.00 54.13 52.00 1x4h s LEU 97 Cb -0.03 -2.51 0.18 0.00 0.66 0.00 0.00 46.19 44.49 1x4h s LEU 97 CO 0.01 -2.84 1.28 0.00 -1.89 0.00 0.00 176.35 172.91 1x4h s ALA 98 N 11.84 2.39 -0.28 5.97 0.00 -1.25 -4.92 121.76 135.50 1x4h s ALA 98 Ca 0.93 -1.17 -0.13 0.00 0.00 0.00 0.00 51.96 51.60 1x4h s ALA 98 Cb -0.16 -2.75 0.10 0.00 0.00 0.00 0.00 23.12 20.31 1x4h s ALA 98 CO 0.25 -2.27 0.65 0.54 0.00 0.00 0.00 175.76 174.93 1x4h s VAL 99 N -3.80 -0.49 -0.07 0.00 0.11 -1.26 -4.51 120.40 110.37 1x4h s VAL 99 Ca 0.72 0.01 -0.33 0.00 -2.93 0.00 0.00 61.98 59.45 1x4h s VAL 99 Cb -0.05 -0.98 -0.11 0.00 -1.53 0.00 0.00 36.38 33.72 1x4h s VAL 99 CO 0.52 0.00 1.92 0.41 -3.33 0.00 0.00 175.10 174.62 1x4h n THR 100 N 4.89 0.62 -2.73 5.04 -1.04 -1.26 -4.91 114.28 114.89 1x4h n THR 100 Ca -0.16 -0.12 -0.43 0.00 -2.04 0.00 0.00 64.05 61.30 1x4h n THR 100 Cb 0.54 -1.99 -0.03 0.00 -1.82 0.00 0.00 70.33 67.03 1x4h n THR 100 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1x4h s ARG 101 N 4.28 3.99 -0.79 -2.82 3.00 -1.26 -4.98 118.95 120.37 1x4h s ARG 101 Ca 0.93 0.87 -0.26 0.00 -1.00 0.00 0.00 55.73 56.26 1x4h s ARG 101 Cb -0.63 -3.75 0.04 0.00 0.00 0.00 0.00 34.95 30.61 1x4h s ARG 101 CO 0.49 -0.88 1.28 -0.51 0.00 0.00 0.00 175.30 175.68 1x4h s ASP 102 N 1.72 6.23 -1.05 -2.12 1.01 -1.26 -4.93 116.67 116.27 1x4h s ASP 102 Ca 0.42 -0.72 -0.24 0.00 0.71 0.00 0.00 52.55 52.71 1x4h s ASP 102 Cb -0.12 -2.55 -0.12 0.00 1.01 0.00 0.00 42.92 41.15 1x4h s ASP 102 CO 0.16 -1.73 2.03 -0.70 0.21 0.00 0.00 175.17 175.15 1x4h s GLU 103 N 5.38 2.11 0.19 8.23 2.56 -1.26 -4.80 118.70 131.10 1x4h s GLU 103 Ca 0.36 -0.61 -0.24 0.00 0.00 0.00 0.00 54.97 54.49 1x4h s GLU 103 Cb -0.07 -5.09 0.05 0.00 2.00 0.00 0.00 34.13 31.02 1x4h s GLU 103 CO 0.09 -4.24 0.80 0.00 -0.56 0.00 0.00 175.26 171.35 1x4h s ALA 104 N 12.60 -1.49 -0.01 6.30 0.00 -1.26 -5.18 121.76 132.72 1x4h s ALA 104 Ca 0.74 0.12 0.03 0.00 0.00 0.00 0.00 51.96 52.85 1x4h s ALA 104 Cb -0.04 0.74 -0.00 0.00 0.00 0.00 0.00 23.12 23.81 1x4h s ALA 104 CO 0.10 -0.95 -0.09 0.00 0.00 0.00 0.00 175.76 174.82 1x4h s ALA 105 N -3.59 0.81 -0.59 0.00 0.00 -1.26 -5.11 121.76 112.02 1x4h s ALA 105 Ca 0.09 -0.39 -0.04 0.00 0.00 0.00 0.00 51.96 51.62 1x4h s ALA 105 Cb -0.03 -0.23 0.15 0.00 0.00 0.00 0.00 23.12 23.01 1x4h s ALA 105 CO 0.00 0.18 0.41 -1.12 0.00 0.00 0.00 175.76 175.23 1x4h s SER 106 N -0.12 5.32 -0.46 0.00 0.01 -1.26 -4.99 113.70 112.20 1x4h s SER 106 Ca 0.02 -2.68 0.03 0.00 1.31 0.00 0.00 55.95 54.63 1x4h s SER 106 Cb -0.05 -1.87 0.16 0.00 0.21 0.00 0.00 66.02 64.47 1x4h s SER 106 CO -0.00 -0.42 0.33 -0.83 0.41 0.00 0.00 173.24 172.73 1x4h s GLY 107 N 1.01 1.54 0.06 3.44 0.00 -1.26 -5.11 107.32 107.00 1x4h s GLY 107 Ca 0.15 -2.63 -0.31 0.00 0.00 0.00 0.00 44.72 41.93 1x4h s GLY 107 CO -0.04 1.83 1.41 2.56 0.00 0.00 0.00 173.10 178.86 1x4h s PRO 108 N 0.01 4.30 -0.11 2.90 0.04 -1.26 -4.96 135.00 135.92 1x4h s PRO 108 Ca 0.26 2.03 -0.03 0.00 0.04 0.00 0.00 61.00 63.30 1x4h s PRO 108 Cb -0.07 -3.43 -0.01 0.00 0.04 0.00 0.00 34.50 31.03 1x4h s PRO 108 CO -0.12 -0.51 -0.05 0.77 0.04 0.00 0.00 177.00 177.12 1x4h h SER 109 N 7.39 0.00 -3.15 6.66 0.02 -2.05 -3.45 113.55 118.97 1x4h h SER 109 Ca -0.40 -0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 59.94 1x4h h SER 109 Cb 1.19 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.66 1x4h h SER 109 CO 0.88 0.58 -0.25 -0.55 -1.14 0.00 0.00 176.83 176.36 1x4h s SER 110 N -5.61 6.62 0.00 3.07 0.15 -1.26 -5.37 113.70 111.30 1x4h s SER 110 Ca -0.05 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.34 1x4h s SER 110 Cb 0.01 -2.22 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 1x4h s SER 110 CO 0.07 0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.31