#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 -4.39 -4.38 1.61 7.64 -1.26 -5.00 113.62 107.84 1x4h n SER 2 Ca 0.00 -0.63 -0.31 0.00 1.01 0.00 0.00 58.87 58.94 1x4h n SER 2 Cb 0.00 -4.78 -0.14 0.00 -1.01 0.00 0.00 64.21 58.28 1x4h n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x4h s SER 3 N -3.72 3.40 0.13 6.43 1.04 -1.26 -5.13 113.70 114.59 1x4h s SER 3 Ca 0.38 -0.50 0.03 0.00 0.48 0.00 0.00 55.95 56.34 1x4h s SER 3 Cb -0.17 -0.43 -0.04 0.00 0.10 0.00 0.00 66.02 65.47 1x4h s SER 3 CO 0.75 0.27 -0.09 -0.83 0.98 0.00 0.00 173.24 174.33 1x4h s GLY 4 N -1.17 0.96 0.12 7.32 0.00 -1.26 -5.17 107.32 108.12 1x4h s GLY 4 Ca 0.12 -1.44 -0.01 0.00 0.00 0.00 0.00 44.72 43.39 1x4h s GLY 4 CO 0.02 -1.54 0.03 -0.45 0.00 0.00 0.00 173.10 171.17 1x4h s SER 5 N -3.12 0.40 0.35 1.64 0.15 -1.26 -5.18 113.70 106.69 1x4h s SER 5 Ca 0.15 -1.16 -0.15 0.00 0.70 0.00 0.00 55.95 55.49 1x4h s SER 5 Cb 0.04 0.26 0.04 0.00 -1.71 0.00 0.00 66.02 64.65 1x4h s SER 5 CO -0.01 -0.69 0.73 -0.55 1.20 0.00 0.00 173.24 173.91 1x4h s SER 6 N -3.03 0.05 0.00 5.45 0.15 -1.26 -5.08 113.70 109.99 1x4h s SER 6 Ca 0.20 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 55.78 1x4h s SER 6 Cb 0.07 0.80 0.00 0.00 -1.71 0.00 0.00 66.02 65.18 1x4h s SER 6 CO -0.01 -1.56 0.00 0.61 1.20 0.00 0.00 173.24 173.49 1x4h n GLY 7 N -0.51 0.12 3.87 9.45 0.00 -1.26 -5.14 105.19 111.72 1x4h n GLY 7 Ca -0.06 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.75 4.15 -0.26 0.99 0.05 -1.26 -5.02 118.68 115.58 1x4h s LEU 8 Ca 0.00 0.94 -0.29 0.00 0.05 0.00 0.00 54.13 54.84 1x4h s LEU 8 Cb 0.00 -3.71 -0.02 0.00 -2.05 0.00 0.00 46.19 40.41 1x4h s LEU 8 CO 0.00 -0.09 1.64 -2.16 -0.55 0.00 0.00 176.35 175.19 1x4h s PRO 9 N -2.87 3.67 0.89 1.48 0.04 -1.26 -5.00 135.00 131.95 1x4h s PRO 9 Ca 0.48 1.54 -0.14 0.00 0.04 0.00 0.00 61.00 62.92 1x4h s PRO 9 Cb -0.11 -4.07 0.15 0.00 0.04 0.00 0.00 34.50 30.51 1x4h s PRO 9 CO 0.21 -1.45 1.25 -1.12 0.04 0.00 0.00 177.00 175.93 1x4h s SER 10 N 4.62 3.71 -0.20 6.66 0.01 -1.26 -5.10 113.70 122.13 1x4h s SER 10 Ca 0.72 0.42 -0.32 0.00 1.31 0.00 0.00 55.95 58.09 1x4h s SER 10 Cb -0.23 -0.66 0.15 0.00 0.21 0.00 0.00 66.02 65.49 1x4h s SER 10 CO 0.30 -2.37 1.19 -0.62 0.41 0.00 0.00 173.24 172.15 1x4h s ASP 11 N -4.76 -0.17 -0.47 2.44 2.15 -1.26 -5.10 116.67 109.48 1x4h s ASP 11 Ca 0.69 0.11 -0.43 0.00 0.43 0.00 0.00 52.55 53.35 1x4h s ASP 11 Cb -0.07 0.16 -0.18 0.00 -0.30 0.00 0.00 42.92 42.53 1x4h s ASP 11 CO 0.51 -0.22 2.07 0.52 -0.17 0.00 0.00 175.17 177.88 1x4h n VAL 12 N 0.28 0.03 -3.67 1.11 0.31 -1.26 -4.90 118.33 110.24 1x4h n VAL 12 Ca -0.03 -0.04 -0.08 0.00 -0.01 0.00 0.00 64.34 64.18 1x4h n VAL 12 Cb 0.58 -0.67 -0.09 0.00 -0.91 0.00 0.00 33.84 32.76 1x4h n VAL 12 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1x4h s THR 13 N 5.74 -0.11 -0.84 2.52 2.01 -1.26 -5.07 115.64 118.63 1x4h s THR 13 Ca 1.16 0.06 -0.21 0.00 0.31 0.00 0.00 61.69 63.00 1x4h s THR 13 Cb -1.40 -0.79 -0.19 0.00 0.01 0.00 0.00 72.50 70.13 1x4h s THR 13 CO 0.66 0.02 2.07 -0.62 -0.69 0.00 0.00 174.62 176.06 1x4h n GLU 14 N 4.43 0.22 -2.72 4.92 1.02 -1.26 -4.55 120.64 122.69 1x4h n GLU 14 Ca -0.20 -1.05 -0.05 0.00 -0.02 0.00 0.00 57.16 55.84 1x4h n GLU 14 Cb 0.56 -3.21 0.05 0.00 -0.02 0.00 0.00 31.44 28.83 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 6.08 1.61 3.06 0.62 0.00 -1.26 -5.07 105.19 110.24 1x4h n GLY 15 Ca 0.40 -1.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.81 2.54 0.09 1.61 1.02 -1.26 -4.89 119.74 116.04 1x4h s LYS 16 Ca 0.25 -0.77 -0.01 0.00 0.02 0.00 0.00 55.97 55.47 1x4h s LYS 16 Cb 0.41 -2.40 -0.04 0.00 -0.52 0.00 0.00 37.83 35.28 1x4h s LYS 16 CO -0.01 -0.28 0.02 0.99 -0.92 0.00 0.00 175.35 175.15 1x4h s THR 17 N 1.36 0.15 -0.26 2.17 2.01 -1.26 -4.17 115.64 115.64 1x4h s THR 17 Ca 0.03 -1.86 -0.08 0.00 0.31 0.00 0.00 61.69 60.09 1x4h s THR 17 Cb -0.14 -1.81 0.12 0.00 0.01 0.00 0.00 72.50 70.68 1x4h s THR 17 CO -0.11 -0.70 0.56 0.68 -0.69 0.00 0.00 174.62 174.36 1x4h s VAL 18 N -3.99 -0.87 -0.18 3.82 -7.23 -1.01 -4.05 120.40 106.89 1x4h s VAL 18 Ca 0.17 0.05 -0.03 0.00 -1.81 0.00 0.00 61.98 60.36 1x4h s VAL 18 Cb 0.08 -0.88 -0.01 0.00 0.56 0.00 0.00 36.38 36.12 1x4h s VAL 18 CO -0.03 0.02 -0.07 0.12 -0.31 0.00 0.00 175.10 174.82 1x4h s PHE 19 N 2.79 2.92 -0.11 2.82 5.36 0.92 -0.99 117.98 131.69 1x4h s PHE 19 Ca -0.01 -0.79 -0.13 0.00 -0.96 0.00 0.00 56.93 55.04 1x4h s PHE 19 Cb -0.13 -2.00 -0.05 0.00 -0.34 0.00 0.00 43.02 40.50 1x4h s PHE 19 CO -0.17 -0.39 0.30 0.42 -1.46 0.00 0.00 175.22 173.92 1x4h s ILE 20 N 0.99 5.26 0.12 3.12 1.09 -0.47 -0.98 121.20 130.33 1x4h s ILE 20 Ca -0.00 0.59 0.11 0.00 -1.10 0.00 0.00 60.65 60.24 1x4h s ILE 20 Cb -0.15 -3.62 -0.04 0.00 -1.06 0.00 0.00 42.46 37.59 1x4h s ILE 20 CO -0.00 0.48 -0.27 -0.13 -0.10 0.00 0.00 174.94 174.92 1x4h s ARG 21 N -0.23 1.45 -0.47 2.79 3.00 0.14 -2.82 118.95 122.81 1x4h s ARG 21 Ca 0.19 -1.32 -0.02 0.00 0.00 0.00 0.00 55.73 54.58 1x4h s ARG 21 Cb -0.14 -1.91 0.00 0.00 0.00 0.00 0.00 34.95 32.90 1x4h s ARG 21 CO 0.07 0.46 0.40 -1.71 0.00 0.00 0.00 175.30 174.51 1x4h n ASN 22 N 0.98 -2.80 -4.82 0.23 5.15 -1.12 -1.15 115.26 111.72 1x4h n ASN 22 Ca -0.18 -0.21 -0.33 0.00 -0.60 0.00 0.00 54.58 53.26 1x4h n ASN 22 Cb 0.53 -2.18 -0.07 0.00 -0.53 0.00 0.00 39.78 37.53 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 -3.46 3.93 -0.13 1.20 1.43 -0.71 -4.61 118.68 116.34 1x4h s LEU 23 Ca 0.11 1.63 -0.10 0.00 -1.03 0.00 0.00 54.13 54.74 1x4h s LEU 23 Cb -0.05 -4.48 -0.05 0.00 0.03 0.00 0.00 46.19 41.64 1x4h s LEU 23 CO 0.27 -0.36 0.20 -0.55 0.23 0.00 0.00 176.35 176.14 1x4h s SER 24 N -2.25 6.42 0.32 2.29 0.15 -1.26 -4.61 113.70 114.75 1x4h s SER 24 Ca 0.61 0.49 0.08 0.00 0.70 0.00 0.00 55.95 57.83 1x4h s SER 24 Cb -0.09 -2.12 0.80 0.00 -1.71 0.00 0.00 66.02 62.90 1x4h s SER 24 CO 0.15 0.31 1.79 -0.26 1.20 0.00 0.00 173.24 176.42 1x4h h PHE 25 N 5.53 0.99 -0.21 3.44 0.04 -1.97 0.41 116.94 125.17 1x4h h PHE 25 Ca -0.50 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.37 1x4h h PHE 25 Cb 1.20 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 39.05 1x4h h PHE 25 CO 0.69 0.22 0.20 -0.44 -0.60 0.00 0.00 178.31 178.38 1x4h h ASP 26 N 0.70 0.00 -3.41 2.17 5.19 -1.97 -3.43 116.42 115.67 1x4h h ASP 26 Ca 0.57 0.00 -0.45 0.00 -0.62 0.00 0.00 57.03 56.53 1x4h h ASP 26 Cb 0.97 0.00 0.20 0.00 0.18 0.00 0.00 39.33 40.68 1x4h h ASP 26 CO -0.35 0.00 0.05 -0.55 -3.12 0.00 0.00 179.24 175.26 1x4h s SER 27 N -5.98 1.29 -0.11 6.45 0.15 0.14 -5.06 113.70 110.58 1x4h s SER 27 Ca -0.05 1.52 -0.07 0.00 0.70 0.00 0.00 55.95 58.05 1x4h s SER 27 Cb 0.16 -2.27 0.04 0.00 -1.71 0.00 0.00 66.02 62.24 1x4h s SER 27 CO 0.59 -4.01 0.26 -1.61 1.20 0.00 0.00 173.24 169.67 1x4h s GLU 28 N -4.54 0.26 0.26 5.44 2.02 -1.26 -5.01 118.70 115.88 1x4h s GLU 28 Ca 0.68 0.46 -0.02 0.00 0.02 0.00 0.00 54.97 56.11 1x4h s GLU 28 Cb -0.24 0.02 0.55 0.00 0.10 0.00 0.00 34.13 34.56 1x4h s GLU 28 CO 0.63 -0.10 1.38 -1.91 0.02 0.00 0.00 175.26 175.28 1x4h n GLU 29 N 3.60 -0.07 0.37 1.61 0.00 -1.26 -0.00 120.64 124.89 1x4h n GLU 29 Ca -0.19 1.35 -0.19 0.00 0.00 0.00 0.00 57.16 58.13 1x4h n GLU 29 Cb 0.56 -2.08 -0.10 0.00 0.00 0.00 0.00 31.44 29.82 1x4h n GLU 29 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.13 178.18 1x4h h GLU 30 N 0.00 -1.05 0.31 5.31 4.11 -1.96 -2.32 114.58 118.99 1x4h h GLU 30 Ca 0.49 0.07 0.00 0.00 0.07 0.00 0.00 59.36 59.99 1x4h h GLU 30 Cb 0.90 0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 1x4h h GLU 30 CO -0.87 -0.70 -0.33 0.00 0.07 0.00 0.00 179.01 177.19 1x4h h ALA 31 N -0.94 -0.69 -0.97 1.06 0.00 -1.01 -2.03 119.26 114.68 1x4h h ALA 31 Ca -0.08 -0.10 0.17 0.00 0.00 0.00 0.00 54.91 54.89 1x4h h ALA 31 Cb 0.90 0.47 -0.17 0.00 0.00 0.00 0.00 17.79 18.99 1x4h h ALA 31 CO 0.05 -0.92 -0.32 -0.11 0.00 0.00 0.00 179.25 177.95 1x4h n LEU 32 N -5.44 -0.50 0.44 0.00 0.00 1.00 -1.23 117.00 111.27 1x4h n LEU 32 Ca -0.09 1.68 -0.18 0.00 0.00 0.00 0.00 56.01 57.42 1x4h n LEU 32 Cb 0.34 -0.44 -0.09 0.00 0.00 0.00 0.00 43.42 43.23 1x4h n LEU 32 CO 0.28 -1.56 0.54 1.23 0.00 0.00 0.00 177.39 177.88 1x4h h GLY 33 N 0.00 -1.15 -1.08 -3.96 0.00 -1.12 -2.51 103.07 93.25 1x4h h GLY 33 Ca 0.40 0.43 0.34 0.00 0.00 0.00 0.00 47.33 48.49 1x4h h GLY 33 CO -0.98 -0.42 1.21 0.83 0.00 0.00 0.00 176.54 177.18 1x4h h GLU 34 N -1.19 0.00 0.01 4.80 5.08 -0.43 0.95 114.58 123.80 1x4h h GLU 34 Ca -0.11 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1x4h h GLU 34 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1x4h h GLU 34 CO 0.19 0.00 -0.15 0.28 -1.00 0.00 0.00 179.01 178.32 1x4h h VAL 35 N 0.00 1.62 0.00 3.13 2.07 -0.92 -3.31 116.25 118.84 1x4h h VAL 35 Ca 0.55 -2.03 -0.10 0.00 0.82 0.00 0.00 66.70 65.94 1x4h h VAL 35 Cb 2.97 2.96 -0.01 0.00 -1.52 0.00 0.00 31.29 35.69 1x4h h VAL 35 CO -0.01 0.54 -0.50 -0.07 0.02 0.00 0.00 177.57 177.56 1x4h h LEU 36 N -0.69 0.00 -1.62 2.57 3.38 0.90 -3.04 115.31 116.81 1x4h h LEU 36 Ca -0.02 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.10 1x4h h LEU 36 Cb 0.97 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.68 1x4h h LEU 36 CO 0.03 0.50 0.49 1.56 0.09 0.00 0.00 178.44 181.11 1x4h h GLN 37 N 0.00 0.36 -0.92 1.13 4.20 -0.59 -1.48 115.11 117.80 1x4h h GLN 37 Ca -0.00 -0.02 0.26 0.00 0.06 0.00 0.00 58.65 58.94 1x4h h GLN 37 Cb 0.98 -0.08 -0.14 0.00 0.30 0.00 0.00 27.48 28.53 1x4h h GLN 37 CO 0.06 0.24 0.37 -0.56 -0.67 0.00 0.00 178.83 178.27 1x4h h GLN 38 N 0.37 0.27 -0.08 1.46 3.07 -1.63 0.17 115.11 118.74 1x4h h GLN 38 Ca 0.36 -0.02 -0.22 0.00 0.09 0.00 0.00 58.65 58.86 1x4h h GLN 38 Cb 0.86 -0.06 0.01 0.00 0.08 0.00 0.00 27.48 28.38 1x4h h GLN 38 CO -0.11 0.18 -0.80 0.74 0.09 0.00 0.00 178.83 178.94 1x4h h PHE 39 N 0.28 0.96 -1.58 0.06 0.04 -1.49 -3.48 116.94 111.73 1x4h h PHE 39 Ca 0.61 -0.47 0.12 0.00 2.80 0.00 0.00 57.97 61.04 1x4h h PHE 39 Cb 1.28 -0.13 -0.22 0.00 2.20 0.00 0.00 35.95 39.08 1x4h h PHE 39 CO -0.16 1.29 0.62 0.20 -0.60 0.00 0.00 178.31 179.66 1x4h s GLY 40 N -4.13 -0.25 -0.16 -1.45 0.00 0.59 -4.83 107.32 97.08 1x4h s GLY 40 Ca -0.11 1.97 -0.33 0.00 0.00 0.00 0.00 44.72 46.25 1x4h s GLY 40 CO 0.89 0.91 2.01 1.22 0.00 0.00 0.00 173.10 178.13 1x4h n ASP 41 N 0.50 3.17 -4.69 1.64 9.92 -1.25 -4.00 116.55 121.84 1x4h n ASP 41 Ca -0.08 0.71 -0.42 0.00 -0.53 0.00 0.00 54.79 54.47 1x4h n ASP 41 Cb 0.59 -1.39 -0.03 0.00 -0.64 0.00 0.00 41.12 39.65 1x4h n ASP 41 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1x4h s LEU 42 N 5.55 4.27 0.17 0.64 1.43 -1.26 -2.06 118.68 127.42 1x4h s LEU 42 Ca 0.98 1.81 -0.12 0.00 -1.03 0.00 0.00 54.13 55.76 1x4h s LEU 42 Cb -0.65 -3.56 0.06 0.00 0.03 0.00 0.00 46.19 42.07 1x4h s LEU 42 CO 0.48 -0.59 1.69 0.50 0.23 0.00 0.00 176.35 178.66 1x4h h LYS 43 N 7.49 0.88 -2.11 1.70 1.63 -1.29 -3.46 116.57 121.41 1x4h h LYS 43 Ca -0.34 -0.20 -0.06 0.00 -0.85 0.00 0.00 60.65 59.21 1x4h h LYS 43 Cb 1.16 -0.13 -0.20 0.00 -0.60 0.00 0.00 32.23 32.46 1x4h h LYS 43 CO 0.88 0.81 0.10 1.52 -3.45 0.00 0.00 179.45 179.32 1x4h s TYR 44 N -5.38 -0.68 -0.12 1.91 -0.85 -1.25 -5.01 117.35 105.97 1x4h s TYR 44 Ca -0.13 1.47 -0.01 0.00 -0.52 0.00 0.00 57.07 57.89 1x4h s TYR 44 Cb 0.12 0.31 0.03 0.00 0.38 0.00 0.00 41.96 42.80 1x4h s TYR 44 CO 0.80 -0.46 -0.06 0.54 -1.52 0.00 0.00 175.55 174.86 1x4h s VAL 45 N -0.32 0.94 -0.02 -3.49 0.11 -1.26 -1.60 120.40 114.76 1x4h s VAL 45 Ca -0.05 -0.31 0.01 0.00 -2.93 0.00 0.00 61.98 58.71 1x4h s VAL 45 Cb -0.03 -1.02 0.01 0.00 -1.53 0.00 0.00 36.38 33.80 1x4h s VAL 45 CO 0.05 0.29 -0.04 -0.60 -3.33 0.00 0.00 175.10 171.47 1x4h s ARG 46 N 1.73 0.49 -0.17 1.54 3.52 -0.67 -4.96 118.95 120.43 1x4h s ARG 46 Ca 0.04 -0.13 0.01 0.00 -0.13 0.00 0.00 55.73 55.52 1x4h s ARG 46 Cb -0.13 -0.51 0.02 0.00 -1.56 0.00 0.00 34.95 32.76 1x4h s ARG 46 CO -0.08 0.03 -0.20 0.54 -0.81 0.00 0.00 175.30 174.79 1x4h s VAL 47 N 0.27 2.12 0.35 7.11 0.11 -1.26 -0.94 120.40 128.16 1x4h s VAL 47 Ca -0.03 -0.93 -0.29 0.00 -2.93 0.00 0.00 61.98 57.80 1x4h s VAL 47 Cb -0.07 -1.88 -0.11 0.00 -1.53 0.00 0.00 36.38 32.79 1x4h s VAL 47 CO -0.00 0.54 1.49 0.55 -3.33 0.00 0.00 175.10 174.34 1x4h n VAL 48 N 4.44 1.72 -4.18 2.04 3.14 -1.20 -5.01 118.33 119.28 1x4h n VAL 48 Ca -0.21 -0.43 -0.14 0.00 -2.96 0.00 0.00 64.34 60.61 1x4h n VAL 48 Cb 0.51 -1.91 -0.11 0.00 -1.06 0.00 0.00 33.84 31.27 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 -1.46 2.42 0.38 6.55 1.43 -1.26 -3.67 118.68 123.07 1x4h s LEU 49 Ca 0.57 -0.84 -0.28 0.00 -1.03 0.00 0.00 54.13 52.55 1x4h s LEU 49 Cb -0.50 -0.27 -0.10 0.00 0.03 0.00 0.00 46.19 45.35 1x4h s LEU 49 CO 0.59 -0.29 1.41 -2.28 0.23 0.00 0.00 176.35 176.01 1x4h s HIS 50 N -2.64 2.72 0.28 0.29 2.46 0.58 -4.88 115.29 114.10 1x4h s HIS 50 Ca 0.07 1.27 0.17 0.00 0.47 0.00 0.00 55.06 57.04 1x4h s HIS 50 Cb -0.02 -3.88 0.75 0.00 -0.13 0.00 0.00 32.58 29.31 1x4h s HIS 50 CO -0.01 -2.59 1.79 -1.00 -2.47 0.00 0.00 174.74 170.47 1x4h h PRO 51 N 2.98 0.00 0.00 2.88 0.13 -2.00 -3.26 132.00 132.72 1x4h h PRO 51 Ca -0.50 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 1x4h h PRO 51 Cb 1.24 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 1x4h h PRO 51 CO 0.64 0.37 -0.04 0.22 -0.23 0.00 0.00 178.00 178.97 1x4h h ASP 52 N 0.00 0.00 -4.09 1.44 3.58 -1.98 -3.49 116.42 111.89 1x4h h ASP 52 Ca -0.00 -0.86 -0.53 0.00 0.42 0.00 0.00 57.03 56.06 1x4h h ASP 52 Cb 0.78 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 41.69 1x4h h ASP 52 CO 0.05 0.95 -0.51 0.28 -2.88 0.00 0.00 179.24 177.13 1x4h s THR 53 N -2.14 0.37 -0.10 2.25 -1.32 -1.23 -5.03 115.64 108.44 1x4h s THR 53 Ca -0.17 -2.00 -0.03 0.00 -1.21 0.00 0.00 61.69 58.28 1x4h s THR 53 Cb -0.02 -2.39 -0.08 0.00 -1.51 0.00 0.00 72.50 68.50 1x4h s THR 53 CO 0.60 0.00 2.81 -0.62 -2.21 0.00 0.00 174.62 175.20 1x4h n GLU 54 N -0.81 1.71 -3.26 7.08 4.71 -1.26 -3.31 120.64 125.50 1x4h n GLU 54 Ca -0.01 -0.93 -0.40 0.00 -0.01 0.00 0.00 57.16 55.81 1x4h n GLU 54 Cb 0.64 -1.66 -0.07 0.00 -1.01 0.00 0.00 31.44 29.34 1x4h n GLU 54 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 1x4h s HIS 55 N -0.01 3.30 -0.30 -0.32 3.76 -1.26 -4.86 115.29 115.60 1x4h s HIS 55 Ca 0.40 0.65 -0.29 0.00 -0.15 0.00 0.00 55.06 55.67 1x4h s HIS 55 Cb 0.22 -2.68 -0.01 0.00 1.11 0.00 0.00 32.58 31.21 1x4h s HIS 55 CO -0.03 -0.22 1.58 -1.54 -0.85 0.00 0.00 174.74 173.68 1x4h s SER 56 N 1.43 6.28 0.39 1.40 1.04 -1.26 -0.30 113.70 122.68 1x4h s SER 56 Ca 0.21 1.33 0.19 0.00 0.48 0.00 0.00 55.95 58.15 1x4h s SER 56 Cb -0.16 -2.53 1.11 0.00 0.10 0.00 0.00 66.02 64.54 1x4h s SER 56 CO 0.09 -1.39 1.75 0.11 0.98 0.00 0.00 173.24 174.79 1x4h h LYS 57 N 11.09 0.37 0.00 4.02 1.57 -1.90 -3.45 116.57 128.27 1x4h h LYS 57 Ca -0.31 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 1x4h h LYS 57 Cb 1.14 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1x4h h LYS 57 CO 1.03 0.24 0.00 0.41 -0.57 0.00 0.00 179.45 180.56 1x4h n GLY 58 N -1.46 1.66 3.47 3.86 0.00 -1.26 -5.01 105.19 106.44 1x4h n GLY 58 Ca 0.27 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.15 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 -2.67 -0.74 -0.05 0.00 0.00 -1.13 -3.21 121.76 113.96 1x4h s ALA 60 Ca -0.03 0.05 0.06 0.00 0.00 0.00 0.00 51.96 52.03 1x4h s ALA 60 Cb -0.01 0.34 -0.02 0.00 0.00 0.00 0.00 23.12 23.44 1x4h s ALA 60 CO -0.04 -0.43 -0.23 -0.06 0.00 0.00 0.00 175.76 175.01 1x4h s PHE 61 N -2.59 2.47 0.36 0.00 0.40 -0.11 -1.37 117.98 117.14 1x4h s PHE 61 Ca -0.05 -0.55 0.05 0.00 -0.60 0.00 0.00 56.93 55.79 1x4h s PHE 61 Cb -0.01 -1.59 -0.03 0.00 0.51 0.00 0.00 43.02 41.91 1x4h s PHE 61 CO -0.04 -0.10 0.20 0.00 0.70 0.00 0.00 175.22 175.98 1x4h s ALA 62 N -0.35 2.33 0.03 5.36 0.00 -0.16 -1.67 121.76 127.30 1x4h s ALA 62 Ca 0.02 -1.66 -0.09 0.00 0.00 0.00 0.00 51.96 50.24 1x4h s ALA 62 Cb -0.12 1.14 0.00 0.00 0.00 0.00 0.00 23.12 24.14 1x4h s ALA 62 CO 0.02 -0.51 0.18 -1.14 0.00 0.00 0.00 175.76 174.31 1x4h s GLN 63 N -3.60 0.65 0.42 0.00 0.74 -0.63 -2.41 119.66 114.83 1x4h s GLN 63 Ca 0.33 -0.59 0.07 0.00 0.05 0.00 0.00 55.36 55.22 1x4h s GLN 63 Cb 0.03 0.27 -0.05 0.00 1.10 0.00 0.00 33.01 34.35 1x4h s GLN 63 CO 0.21 -0.18 0.16 -0.06 -0.55 0.00 0.00 175.29 174.86 1x4h s PHE 64 N -2.34 2.57 -0.00 1.67 0.08 -1.26 -1.05 117.98 117.65 1x4h s PHE 64 Ca -0.07 -0.61 0.11 0.00 0.12 0.00 0.00 56.93 56.49 1x4h s PHE 64 Cb -0.02 -1.93 -0.19 0.00 -0.57 0.00 0.00 43.02 40.31 1x4h s PHE 64 CO -0.03 0.21 0.97 0.52 -0.10 0.00 0.00 175.22 176.79 1x4h h MET 65 N 1.46 0.00 -3.87 0.44 2.86 -1.73 -3.39 114.93 110.70 1x4h h MET 65 Ca -0.43 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 56.91 1x4h h MET 65 Cb 1.25 0.00 -0.31 0.00 0.06 0.00 0.00 31.60 32.60 1x4h h MET 65 CO 0.71 0.65 -0.74 0.95 1.06 0.00 0.00 176.91 179.54 1x4h s THR 66 N -2.71 0.18 0.24 2.22 -4.23 -1.26 -5.05 115.64 105.03 1x4h s THR 66 Ca -0.02 -0.02 -0.16 0.00 -1.18 0.00 0.00 61.69 60.32 1x4h s THR 66 Cb 0.09 -0.21 0.28 0.00 1.34 0.00 0.00 72.50 74.00 1x4h s THR 66 CO 0.82 0.09 1.56 1.56 -0.54 0.00 0.00 174.62 178.11 1x4h h GLN 67 N 6.61 -0.02 -0.96 3.99 4.20 -1.90 0.49 115.11 127.51 1x4h h GLN 67 Ca -0.34 0.00 0.29 0.00 0.06 0.00 0.00 58.65 58.66 1x4h h GLN 67 Cb 1.17 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 28.78 1x4h h GLN 67 CO 0.49 -0.01 0.18 1.49 -0.67 0.00 0.00 178.83 180.31 1x4h h GLU 68 N -0.02 0.05 0.12 1.46 4.57 -1.99 0.18 114.58 118.96 1x4h h GLU 68 Ca 0.36 -0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.56 1x4h h GLU 68 Cb 0.62 -0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.16 1x4h h GLU 68 CO -0.95 0.04 -0.32 0.00 -1.18 0.00 0.00 179.01 176.59 1x4h h ALA 69 N 1.94 -0.54 -0.48 2.92 0.00 -0.33 0.42 119.26 123.17 1x4h h ALA 69 Ca 0.64 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.58 1x4h h ALA 69 Cb 1.40 0.52 -0.07 0.00 0.00 0.00 0.00 17.79 19.63 1x4h h ALA 69 CO -0.83 -0.86 0.04 0.00 0.00 0.00 0.00 179.25 177.60 1x4h h ALA 70 N 0.11 0.49 -0.99 0.00 0.00 -0.63 -0.84 119.26 117.39 1x4h h ALA 70 Ca 0.03 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1x4h h ALA 70 Cb 0.57 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 1x4h h ALA 70 CO -0.18 -0.36 0.66 1.96 0.00 0.00 0.00 179.25 181.32 1x4h h GLN 71 N 0.16 1.29 -0.32 0.00 1.08 -0.92 -1.68 115.11 114.72 1x4h h GLN 71 Ca 0.24 -0.08 -0.03 0.00 -1.45 0.00 0.00 58.65 57.34 1x4h h GLN 71 Cb 0.35 -0.29 -0.02 0.00 -0.05 0.00 0.00 27.48 27.47 1x4h h GLN 71 CO -0.37 0.85 0.08 0.87 -0.95 0.00 0.00 178.83 179.31 1x4h h LYS 72 N 1.33 0.46 -0.30 1.46 1.57 0.44 -2.17 116.57 119.36 1x4h h LYS 72 Ca 0.37 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.97 1x4h h LYS 72 Cb -0.12 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.09 1x4h h LYS 72 CO -0.09 0.42 -0.27 0.00 -0.57 0.00 0.00 179.45 178.95 1x4h h LEU 74 N 0.52 -0.56 -1.64 0.00 3.38 -1.08 0.36 115.31 116.30 1x4h h LEU 74 Ca 0.07 0.02 0.28 0.00 0.09 0.00 0.00 57.88 58.34 1x4h h LEU 74 Cb 0.73 0.14 -0.07 0.00 0.09 0.00 0.00 40.66 41.56 1x4h h LEU 74 CO 0.06 -0.32 0.70 0.00 0.09 0.00 0.00 178.44 178.97 1x4h h ALA 75 N -1.55 2.55 0.01 1.53 0.00 -1.56 0.46 119.26 120.70 1x4h h ALA 75 Ca -0.07 0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.64 1x4h h ALA 75 Cb 0.50 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1x4h h ALA 75 CO 0.11 -0.90 -1.04 0.00 0.00 0.00 0.00 179.25 177.42 1x4h h ALA 76 N 1.56 0.35 -0.09 0.00 0.00 -1.35 -3.18 119.26 116.54 1x4h h ALA 76 Ca 0.54 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1x4h h ALA 76 Cb 1.69 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1x4h h ALA 76 CO -0.16 1.25 0.00 0.00 0.00 0.00 0.00 179.25 180.33 1x4h n ALA 77 N -2.37 2.49 -3.29 0.00 0.00 0.15 -2.51 120.51 115.00 1x4h n ALA 77 Ca -0.01 -0.18 -0.45 0.00 0.00 0.00 0.00 53.44 52.80 1x4h n ALA 77 Cb 0.95 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 19.32 1x4h n ALA 77 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x4h s SER 78 N -1.06 6.08 0.44 0.00 0.15 -0.76 -4.49 113.70 114.06 1x4h s SER 78 Ca 0.09 -1.74 0.24 0.00 0.70 0.00 0.00 55.95 55.25 1x4h s SER 78 Cb 0.05 -2.16 1.25 0.00 -1.71 0.00 0.00 66.02 63.45 1x4h s SER 78 CO 0.06 -0.79 1.76 0.17 1.20 0.00 0.00 173.24 175.64 1x4h h LEU 79 N 8.78 0.31 -0.92 3.45 -0.00 -1.89 0.28 115.31 125.32 1x4h h LEU 79 Ca -0.28 0.07 0.14 0.00 -0.00 0.00 0.00 57.88 57.81 1x4h h LEU 79 Cb 1.10 0.03 -0.09 0.00 -0.00 0.00 0.00 40.66 41.69 1x4h h LEU 79 CO 0.98 0.03 0.53 -0.08 -0.00 0.00 0.00 178.44 179.90 1x4h h GLU 80 N 0.26 0.76 -6.17 0.17 4.81 -1.94 -3.41 114.58 109.05 1x4h h GLU 80 Ca 0.62 -0.05 -0.60 0.00 -0.13 0.00 0.00 59.36 59.21 1x4h h GLU 80 Cb 1.85 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 31.06 1x4h h GLU 80 CO -0.25 0.50 1.28 0.00 -0.73 0.00 0.00 179.01 179.81 1x4h n ALA 81 N -2.38 1.27 -0.91 2.92 0.00 0.99 -4.74 120.51 117.66 1x4h n ALA 81 Ca 0.18 0.08 -0.43 0.00 0.00 0.00 0.00 53.44 53.27 1x4h n ALA 81 Cb 0.42 -2.65 -0.08 0.00 0.00 0.00 0.00 19.45 17.14 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 7.61 0.00 -3.28 0.00 0.00 -1.26 -2.35 120.64 121.36 1x4h n GLU 82 Ca 0.27 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.30 1x4h n GLU 82 Cb 0.35 -1.06 0.01 0.00 0.00 0.00 0.00 31.44 30.74 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 5.09 -0.04 0.00 -1.84 0.00 -1.26 -4.88 105.19 102.26 1x4h n GLY 83 Ca 0.37 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.78 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 0.81 0.16 3.30 -0.02 0.00 -0.99 -5.13 105.19 103.31 1x4h n GLY 84 Ca -0.03 -0.09 -0.52 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.93 -0.89 3.80 -0.02 0.00 -1.04 -4.59 105.19 101.51 1x4h n GLY 85 Ca 0.00 0.55 -0.38 0.00 0.00 0.00 0.00 46.02 46.19 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 1.27 4.48 -0.06 0.99 1.02 -1.11 -4.89 118.68 120.38 1x4h s LEU 86 Ca 0.75 1.46 -0.03 0.00 0.02 0.00 0.00 54.13 56.33 1x4h s LEU 86 Cb -1.07 -3.30 0.04 0.00 0.02 0.00 0.00 46.19 41.88 1x4h s LEU 86 CO 0.54 0.16 0.14 -0.54 0.02 0.00 0.00 176.35 176.67 1x4h s LYS 87 N -1.45 0.07 -0.32 1.70 1.02 -1.26 -2.64 119.74 116.86 1x4h s LYS 87 Ca 0.37 0.38 0.00 0.00 0.02 0.00 0.00 55.97 56.74 1x4h s LYS 87 Cb -0.20 -0.20 0.08 0.00 -0.52 0.00 0.00 37.83 36.99 1x4h s LYS 87 CO 0.22 -0.18 0.03 -1.17 -0.92 0.00 0.00 175.35 173.33 1x4h s LEU 88 N 1.30 4.27 -0.74 3.17 2.96 -0.81 -4.65 118.68 124.18 1x4h s LEU 88 Ca -0.08 -1.65 -0.05 0.00 -0.22 0.00 0.00 54.13 52.14 1x4h s LEU 88 Cb -0.12 -1.68 0.01 0.00 0.50 0.00 0.00 46.19 44.89 1x4h s LEU 88 CO -0.06 -0.33 0.60 -0.67 -1.32 0.00 0.00 176.35 174.58 1x4h n ASP 89 N 4.49 -4.32 -1.98 3.68 2.03 -1.26 -3.23 116.55 115.97 1x4h n ASP 89 Ca -0.07 -0.27 -0.12 0.00 0.52 0.00 0.00 54.79 54.84 1x4h n ASP 89 Cb 0.42 -2.92 0.03 0.00 -0.72 0.00 0.00 41.12 37.94 1x4h n ASP 89 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x4h n GLY 90 N -1.30 0.14 2.79 0.27 0.00 -1.26 -5.03 105.19 100.80 1x4h n GLY 90 Ca -0.00 -0.23 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 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 -5.51 0.54 -0.44 1.61 1.81 -1.20 -5.10 118.95 110.65 1x4h s ARG 91 Ca 0.26 0.08 -0.28 0.00 -1.72 0.00 0.00 55.73 54.07 1x4h s ARG 91 Cb -0.11 -0.82 -0.01 0.00 -0.45 0.00 0.00 34.95 33.56 1x4h s ARG 91 CO 0.32 -0.23 1.69 -1.14 -0.68 0.00 0.00 175.30 175.26 1x4h s GLN 92 N 1.61 3.21 0.05 3.54 2.00 -1.26 -1.92 119.66 126.88 1x4h s GLN 92 Ca -0.01 1.01 -0.29 0.00 -2.00 0.00 0.00 55.36 54.07 1x4h s GLN 92 Cb -0.13 -4.20 -0.05 0.00 0.80 0.00 0.00 33.01 29.44 1x4h s GLN 92 CO -0.03 -2.02 0.94 -0.51 -0.50 0.00 0.00 175.29 173.16 1x4h s LEU 93 N 7.03 4.43 -0.43 3.68 1.43 -1.08 -4.72 118.68 129.01 1x4h s LEU 93 Ca 0.70 1.68 -0.08 0.00 -1.03 0.00 0.00 54.13 55.40 1x4h s LEU 93 Cb -0.17 -3.52 0.10 0.00 0.03 0.00 0.00 46.19 42.63 1x4h s LEU 93 CO 0.29 -0.14 0.27 -0.54 0.23 0.00 0.00 176.35 176.47 1x4h s LYS 94 N 0.43 2.45 -0.13 1.70 1.02 -0.30 -4.73 119.74 120.18 1x4h s LYS 94 Ca 0.48 -1.63 -0.13 0.00 0.02 0.00 0.00 55.97 54.71 1x4h s LYS 94 Cb -0.22 -3.78 -0.05 0.00 -0.52 0.00 0.00 37.83 33.26 1x4h s LYS 94 CO 0.28 -1.05 0.29 0.08 -0.92 0.00 0.00 175.35 174.02 1x4h s VAL 95 N 1.35 5.29 -0.04 3.17 1.01 -1.25 0.24 120.40 130.16 1x4h s VAL 95 Ca 0.05 0.54 -0.08 0.00 0.00 0.00 0.00 61.98 62.49 1x4h s VAL 95 Cb -0.24 -3.61 0.01 0.00 0.00 0.00 0.00 36.38 32.54 1x4h s VAL 95 CO -0.00 0.45 0.19 -0.62 0.00 0.00 0.00 175.10 175.12 1x4h s ASP 96 N 0.00 -0.12 -0.43 3.32 2.15 -0.15 -4.75 116.67 116.70 1x4h s ASP 96 Ca 0.17 0.16 -0.27 0.00 0.43 0.00 0.00 52.55 53.04 1x4h s ASP 96 Cb -0.13 0.33 -0.06 0.00 -0.30 0.00 0.00 42.92 42.76 1x4h s ASP 96 CO 0.05 -0.21 2.26 -0.22 -0.17 0.00 0.00 175.17 176.88 1x4h s LEU 97 N -0.56 3.41 0.00 -1.34 1.98 -1.26 -0.05 118.68 120.86 1x4h s LEU 97 Ca -0.06 1.21 -0.07 0.00 -2.89 0.00 0.00 54.13 52.32 1x4h s LEU 97 Cb -0.04 -2.83 0.16 0.00 0.66 0.00 0.00 46.19 44.14 1x4h s LEU 97 CO 0.01 -2.52 1.01 0.00 -1.89 0.00 0.00 176.35 172.96 1x4h n ALA 98 N 14.14 -0.51 -3.64 5.97 0.00 -1.26 -4.91 120.51 130.30 1x4h n ALA 98 Ca 0.32 -1.64 -0.04 0.00 0.00 0.00 0.00 53.44 52.08 1x4h n ALA 98 Cb 0.52 0.12 -0.07 0.00 0.00 0.00 0.00 19.45 20.02 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 -3.09 0.00 0.17 0.00 0.11 -1.26 -4.52 120.40 111.81 1x4h s VAL 99 Ca 0.62 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 59.54 1x4h s VAL 99 Cb -0.03 -1.00 0.16 0.00 -1.53 0.00 0.00 36.38 33.99 1x4h s VAL 99 CO 0.42 0.00 1.14 0.41 -3.33 0.00 0.00 175.10 173.74 1x4h n THR 100 N 3.15 -0.39 -1.37 5.04 -1.04 -1.26 -4.24 114.28 114.17 1x4h n THR 100 Ca -0.16 1.72 -0.53 0.00 -2.04 0.00 0.00 64.05 63.04 1x4h n THR 100 Cb 0.57 -2.27 -0.09 0.00 -1.82 0.00 0.00 70.33 66.72 1x4h n THR 100 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1x4h n ARG 101 N -5.07 0.57 -3.39 -2.82 3.00 -1.26 -4.85 116.66 102.83 1x4h n ARG 101 Ca 0.07 0.14 -0.44 0.00 -0.00 0.00 0.00 57.85 57.63 1x4h n ARG 101 Cb 0.29 -2.04 -0.01 0.00 0.00 0.00 0.00 32.46 30.70 1x4h n ARG 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1x4h s ASP 102 N 7.07 7.07 -1.73 6.15 1.01 -1.26 -4.70 116.67 130.29 1x4h s ASP 102 Ca 1.15 -3.55 -0.18 0.00 0.71 0.00 0.00 52.55 50.68 1x4h s ASP 102 Cb -1.12 -2.16 0.16 0.00 1.01 0.00 0.00 42.92 40.81 1x4h s ASP 102 CO 0.55 -0.29 0.69 -0.62 0.21 0.00 0.00 175.17 175.71 1x4h n GLU 103 N 2.73 -2.49 -3.91 8.23 -0.58 -1.26 -4.92 120.64 118.44 1x4h n GLU 103 Ca 0.23 0.31 -0.29 0.00 -0.42 0.00 0.00 57.16 56.99 1x4h n GLU 103 Cb 0.39 -4.92 -0.04 0.00 -0.57 0.00 0.00 31.44 26.31 1x4h n GLU 103 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x4h s ALA 104 N -3.36 3.98 0.10 0.62 0.00 -1.26 -5.12 121.76 116.72 1x4h s ALA 104 Ca 0.70 -0.91 0.09 0.00 0.00 0.00 0.00 51.96 51.83 1x4h s ALA 104 Cb -0.39 -1.83 -0.03 0.00 0.00 0.00 0.00 23.12 20.87 1x4h s ALA 104 CO 0.95 0.68 -0.23 0.00 0.00 0.00 0.00 175.76 177.17 1x4h s ALA 105 N -1.63 1.96 0.34 0.00 0.00 -1.26 -5.11 121.76 116.05 1x4h s ALA 105 Ca 0.35 -1.28 0.07 0.00 0.00 0.00 0.00 51.96 51.11 1x4h s ALA 105 Cb -0.12 -0.30 -0.07 0.00 0.00 0.00 0.00 23.12 22.64 1x4h s ALA 105 CO 0.28 0.42 -0.04 -1.54 0.00 0.00 0.00 175.76 174.87 1x4h s SER 106 N -1.83 3.29 -0.38 0.00 1.04 -1.26 -5.10 113.70 109.46 1x4h s SER 106 Ca 0.09 -1.25 0.11 0.00 0.48 0.00 0.00 55.95 55.37 1x4h s SER 106 Cb -0.10 -0.27 0.32 0.00 0.10 0.00 0.00 66.02 66.07 1x4h s SER 106 CO 0.04 -0.35 0.71 0.61 0.98 0.00 0.00 173.24 175.23 1x4h n GLY 107 N -0.75 3.19 3.38 7.32 0.00 -1.26 -5.13 105.19 111.94 1x4h n GLY 107 Ca -0.05 -1.53 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 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 0.58 -3.08 -3.43 1.61 -0.04 -1.26 -5.09 135.00 124.29 1x4h n PRO 108 Ca 0.23 -1.69 -0.01 0.00 -0.04 0.00 0.00 63.50 61.99 1x4h n PRO 108 Cb 0.63 -1.58 -0.04 0.00 -0.04 0.00 0.00 33.50 32.47 1x4h n PRO 108 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x4h s SER 109 N -4.34 -0.95 0.04 3.54 1.04 -1.26 -5.16 113.70 106.61 1x4h s SER 109 Ca 0.68 1.08 0.04 0.00 0.48 0.00 0.00 55.95 58.23 1x4h s SER 109 Cb -0.07 1.98 -0.02 0.00 0.10 0.00 0.00 66.02 68.01 1x4h s SER 109 CO 0.53 -0.25 -0.11 -0.55 0.98 0.00 0.00 173.24 173.84 1x4h s SER 110 N 2.80 1.29 0.00 7.02 0.15 -1.26 -5.38 113.70 118.32 1x4h s SER 110 Ca 0.07 -0.47 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1x4h s SER 110 Cb -0.14 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 1x4h s SER 110 CO -0.18 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 174.81