#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 -0.55 0.30 1.61 0.01 -1.26 -5.17 113.70 108.64 1x4h s SER 2 Ca 0.00 0.96 0.07 0.00 1.31 0.00 0.00 55.95 58.30 1x4h s SER 2 Cb 0.00 0.88 -0.06 0.00 0.21 0.00 0.00 66.02 67.05 1x4h s SER 2 CO 0.00 -0.19 -0.07 -0.94 0.41 0.00 0.00 173.24 172.46 1x4h s SER 3 N 1.10 3.00 -0.33 2.44 1.04 -1.26 -5.09 113.70 114.60 1x4h s SER 3 Ca -0.07 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.17 1x4h s SER 3 Cb -0.07 -0.21 0.29 0.00 0.10 0.00 0.00 66.02 66.14 1x4h s SER 3 CO -0.10 -0.31 1.29 0.61 0.98 0.00 0.00 173.24 175.71 1x4h n GLY 4 N -0.64 -1.59 3.59 7.32 0.00 -1.26 -5.16 105.19 107.44 1x4h n GLY 4 Ca -0.05 0.92 -0.06 0.00 0.00 0.00 0.00 46.02 46.83 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 -0.28 -0.22 -0.29 1.61 1.04 -1.26 -5.14 113.70 109.16 1x4h s SER 5 Ca 0.24 0.12 -0.04 0.00 0.48 0.00 0.00 55.95 56.76 1x4h s SER 5 Cb 0.24 0.20 0.03 0.00 0.10 0.00 0.00 66.02 66.59 1x4h s SER 5 CO -0.13 -0.28 0.01 -0.55 0.98 0.00 0.00 173.24 173.27 1x4h s SER 6 N -1.69 4.82 0.00 7.02 0.15 -1.26 -5.02 113.70 117.72 1x4h s SER 6 Ca 0.05 -0.99 0.00 0.00 0.70 0.00 0.00 55.95 55.72 1x4h s SER 6 Cb -0.01 -1.76 0.00 0.00 -1.71 0.00 0.00 66.02 62.54 1x4h s SER 6 CO -0.04 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1x4h n GLY 7 N 4.72 3.51 3.73 9.45 0.00 -1.26 -5.08 105.19 120.27 1x4h n GLY 7 Ca -0.14 -1.83 -0.35 0.00 0.00 0.00 0.00 46.02 43.69 1x4h n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x4h s LEU 8 N 0.00 3.47 0.07 0.99 2.01 -1.26 -4.89 118.68 119.06 1x4h s LEU 8 Ca 0.00 2.40 0.17 0.00 0.01 0.00 0.00 54.13 56.71 1x4h s LEU 8 Cb 0.00 -4.60 0.71 0.00 0.01 0.00 0.00 46.19 42.32 1x4h s LEU 8 CO 0.00 -2.00 1.53 -0.81 1.01 0.00 0.00 176.35 176.08 1x4h n PRO 9 N -2.24 0.05 -3.85 1.29 -0.04 -1.26 -4.89 135.00 124.07 1x4h n PRO 9 Ca 0.14 0.30 -0.26 0.00 -0.04 0.00 0.00 63.50 63.65 1x4h n PRO 9 Cb 0.50 -1.61 0.02 0.00 -0.04 0.00 0.00 33.50 32.37 1x4h n PRO 9 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x4h n SER 10 N -1.71 -2.11 -2.31 3.54 7.64 -1.26 -4.90 113.62 112.52 1x4h n SER 10 Ca 0.03 -0.86 -0.28 0.00 1.01 0.00 0.00 58.87 58.77 1x4h n SER 10 Cb 0.18 -3.71 0.02 0.00 -1.01 0.00 0.00 64.21 59.69 1x4h n SER 10 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1x4h n ASP 11 N -2.96 5.31 0.00 6.43 9.92 -1.26 -4.73 116.55 129.26 1x4h n ASP 11 Ca -0.19 -3.75 0.10 0.00 -0.53 0.00 0.00 54.79 50.43 1x4h n ASP 11 Cb 0.63 -0.51 0.48 0.00 -0.64 0.00 0.00 41.12 41.08 1x4h n ASP 11 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1x4h n VAL 12 N -0.62 0.47 -3.70 2.53 3.14 -1.26 -4.67 118.33 114.22 1x4h n VAL 12 Ca 0.44 0.12 -0.36 0.00 -2.96 0.00 0.00 64.34 61.58 1x4h n VAL 12 Cb 0.75 -0.77 -0.09 0.00 -1.06 0.00 0.00 33.84 32.67 1x4h n VAL 12 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1x4h s THR 13 N -2.78 5.34 -0.42 1.55 2.01 -1.26 -4.99 115.64 115.08 1x4h s THR 13 Ca 0.15 0.17 0.05 0.00 0.31 0.00 0.00 61.69 62.37 1x4h s THR 13 Cb 0.14 -3.47 0.43 0.00 0.01 0.00 0.00 72.50 69.60 1x4h s THR 13 CO 0.34 0.38 1.15 -1.84 -0.69 0.00 0.00 174.62 173.96 1x4h n GLU 14 N 4.04 3.44 -1.63 4.92 0.28 -1.26 -4.85 120.64 125.58 1x4h n GLU 14 Ca -0.15 -4.43 -0.36 0.00 -0.16 0.00 0.00 57.16 52.06 1x4h n GLU 14 Cb 0.52 -2.26 0.05 0.00 1.43 0.00 0.00 31.44 31.18 1x4h n GLU 14 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1x4h n GLY 15 N -0.52 5.48 3.06 -1.84 0.00 -1.26 -4.90 105.19 105.20 1x4h n GLY 15 Ca 0.40 -2.30 -0.31 0.00 0.00 0.00 0.00 46.02 43.80 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 -3.68 2.53 0.10 1.61 1.02 -1.26 -4.93 119.74 115.12 1x4h s LYS 16 Ca 0.56 -0.75 -0.01 0.00 0.02 0.00 0.00 55.97 55.79 1x4h s LYS 16 Cb 0.45 -2.38 -0.04 0.00 -0.52 0.00 0.00 37.83 35.34 1x4h s LYS 16 CO -0.24 -0.27 0.01 0.99 -0.92 0.00 0.00 175.35 174.92 1x4h s THR 17 N 1.37 0.19 -0.28 2.17 2.01 -1.26 -4.01 115.64 115.83 1x4h s THR 17 Ca 0.03 -1.87 -0.09 0.00 0.31 0.00 0.00 61.69 60.07 1x4h s THR 17 Cb -0.14 -1.81 0.12 0.00 0.01 0.00 0.00 72.50 70.69 1x4h s THR 17 CO -0.11 -0.71 0.60 0.68 -0.69 0.00 0.00 174.62 174.39 1x4h s VAL 18 N -3.97 -0.92 -0.18 3.82 -7.23 -0.55 -4.08 120.40 107.29 1x4h s VAL 18 Ca 0.16 0.04 -0.02 0.00 -1.81 0.00 0.00 61.98 60.35 1x4h s VAL 18 Cb 0.08 -0.93 -0.01 0.00 0.56 0.00 0.00 36.38 36.08 1x4h s VAL 18 CO -0.03 0.01 -0.08 0.12 -0.31 0.00 0.00 175.10 174.81 1x4h s PHE 19 N 2.84 2.90 -0.13 2.82 5.36 0.91 -0.50 117.98 132.18 1x4h s PHE 19 Ca -0.04 -0.85 -0.13 0.00 -0.96 0.00 0.00 56.93 54.94 1x4h s PHE 19 Cb -0.12 -2.00 -0.05 0.00 -0.34 0.00 0.00 43.02 40.52 1x4h s PHE 19 CO -0.18 -0.42 0.30 0.42 -1.46 0.00 0.00 175.22 173.88 1x4h s ILE 20 N 1.02 5.28 0.11 3.12 1.09 0.06 -1.06 121.20 130.82 1x4h s ILE 20 Ca -0.00 0.58 0.10 0.00 -1.10 0.00 0.00 60.65 60.23 1x4h s ILE 20 Cb -0.15 -3.63 -0.04 0.00 -1.06 0.00 0.00 42.46 37.59 1x4h s ILE 20 CO -0.01 0.44 -0.26 -0.13 -0.10 0.00 0.00 174.94 174.88 1x4h s ARG 21 N 0.07 1.55 -0.47 2.79 0.52 0.76 -2.27 118.95 121.91 1x4h s ARG 21 Ca 0.18 -1.27 -0.00 0.00 -0.52 0.00 0.00 55.73 54.12 1x4h s ARG 21 Cb -0.14 -1.95 -0.00 0.00 0.52 0.00 0.00 34.95 33.39 1x4h s ARG 21 CO 0.06 0.47 0.39 -1.71 0.02 0.00 0.00 175.30 174.53 1x4h n ASN 22 N 1.13 -2.23 -4.87 0.23 5.15 -0.89 -1.30 115.26 112.48 1x4h n ASN 22 Ca -0.17 -0.25 -0.30 0.00 -0.60 0.00 0.00 54.58 53.25 1x4h n ASN 22 Cb 0.53 -2.35 0.06 0.00 -0.53 0.00 0.00 39.78 37.48 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 -3.76 2.82 -0.05 1.20 1.43 -0.41 -4.47 118.68 115.44 1x4h s LEU 23 Ca 0.02 1.13 -0.02 0.00 -1.03 0.00 0.00 54.13 54.23 1x4h s LEU 23 Cb -0.00 -3.88 -0.04 0.00 0.03 0.00 0.00 46.19 42.30 1x4h s LEU 23 CO 0.29 -1.48 0.08 -0.55 0.23 0.00 0.00 176.35 174.92 1x4h s SER 24 N -4.31 5.78 0.33 2.29 0.15 -1.26 -4.82 113.70 111.86 1x4h s SER 24 Ca 0.59 0.23 0.09 0.00 0.70 0.00 0.00 55.95 57.56 1x4h s SER 24 Cb -0.12 -1.71 0.84 0.00 -1.71 0.00 0.00 66.02 63.33 1x4h s SER 24 CO 0.52 0.33 1.78 -0.26 1.20 0.00 0.00 173.24 176.80 1x4h h PHE 25 N 4.51 0.96 -0.44 3.44 0.04 -1.95 0.24 116.94 123.73 1x4h h PHE 25 Ca -0.51 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.23 1x4h h PHE 25 Cb 1.19 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 39.04 1x4h h PHE 25 CO 0.67 0.18 0.00 -0.44 -0.60 0.00 0.00 178.31 178.12 1x4h h ASP 26 N 0.65 0.69 -1.97 2.17 5.19 -1.95 -3.45 116.42 117.75 1x4h h ASP 26 Ca 0.58 -0.16 -0.61 0.00 -0.62 0.00 0.00 57.03 56.23 1x4h h ASP 26 Cb 1.06 -0.18 0.16 0.00 0.18 0.00 0.00 39.33 40.55 1x4h h ASP 26 CO -0.37 0.76 -0.88 -1.54 -3.12 0.00 0.00 179.24 174.09 1x4h n SER 27 N -4.23 -2.64 -3.77 6.45 3.41 0.83 -4.99 113.62 108.67 1x4h n SER 27 Ca 0.02 0.78 -0.13 0.00 -0.26 0.00 0.00 58.87 59.28 1x4h n SER 27 Cb 0.28 -0.93 -0.13 0.00 -0.26 0.00 0.00 64.21 63.18 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 -1.18 0.21 0.27 4.33 2.02 -1.26 -4.96 118.70 118.13 1x4h s GLU 28 Ca 0.60 0.38 0.13 0.00 0.02 0.00 0.00 54.97 56.09 1x4h s GLU 28 Cb -0.58 -0.00 0.92 0.00 0.10 0.00 0.00 34.13 34.57 1x4h s GLU 28 CO 0.62 -0.09 1.20 -1.91 0.02 0.00 0.00 175.26 175.10 1x4h n GLU 29 N 3.55 -0.05 -0.04 1.61 2.13 -1.26 0.20 120.64 126.78 1x4h n GLU 29 Ca -0.19 1.07 -0.11 0.00 0.66 0.00 0.00 57.16 58.60 1x4h n GLU 29 Cb 0.56 -1.87 -0.05 0.00 0.27 0.00 0.00 31.44 30.35 1x4h n GLU 29 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 1x4h h GLU 30 N 0.00 0.26 0.27 5.31 4.11 -1.95 -2.60 114.58 119.98 1x4h h GLU 30 Ca 0.60 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.98 1x4h h GLU 30 Cb 1.54 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.74 1x4h h GLU 30 CO -0.62 0.31 -0.13 0.00 0.07 0.00 0.00 179.01 178.64 1x4h h ALA 31 N 0.93 -0.37 -0.96 1.06 0.00 0.19 -2.90 119.26 117.22 1x4h h ALA 31 Ca 0.06 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 54.95 1x4h h ALA 31 Cb 0.14 0.14 -0.17 0.00 0.00 0.00 0.00 17.79 17.90 1x4h h ALA 31 CO -0.01 -0.43 -0.30 -0.11 0.00 0.00 0.00 179.25 178.40 1x4h n LEU 32 N -5.04 -0.48 0.36 0.00 0.00 0.85 -0.90 117.00 111.79 1x4h n LEU 32 Ca -0.08 1.67 -0.18 0.00 0.00 0.00 0.00 56.01 57.42 1x4h n LEU 32 Cb 0.26 -0.45 -0.09 0.00 0.00 0.00 0.00 43.42 43.14 1x4h n LEU 32 CO 0.25 -1.55 0.64 1.23 0.00 0.00 0.00 177.39 177.96 1x4h h GLY 33 N 0.00 -0.91 -0.58 -3.96 0.00 -1.53 -2.24 103.07 93.84 1x4h h GLY 33 Ca 0.40 0.34 0.26 0.00 0.00 0.00 0.00 47.33 48.33 1x4h h GLY 33 CO -0.97 -0.33 1.04 0.83 0.00 0.00 0.00 176.54 177.10 1x4h h GLU 34 N -0.90 0.00 0.01 4.80 3.07 -0.80 0.69 114.58 121.45 1x4h h GLU 34 Ca -0.09 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.77 1x4h h GLU 34 Cb 0.68 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.59 1x4h h GLU 34 CO 0.15 0.00 -0.00 0.28 -1.40 0.00 0.00 179.01 178.03 1x4h h VAL 35 N 0.00 1.60 0.00 3.13 2.07 -0.78 -3.30 116.25 118.98 1x4h h VAL 35 Ca 0.42 -2.00 0.00 0.00 0.82 0.00 0.00 66.70 65.95 1x4h h VAL 35 Cb 2.50 2.93 0.00 0.00 -1.52 0.00 0.00 31.29 35.20 1x4h h VAL 35 CO -0.00 0.50 0.00 -0.07 0.02 0.00 0.00 177.57 178.02 1x4h h LEU 36 N -0.89 0.00 -1.71 2.57 3.38 0.14 -3.00 115.31 115.81 1x4h h LEU 36 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1x4h h LEU 36 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1x4h h LEU 36 CO 0.00 0.00 0.00 1.56 0.09 0.00 0.00 178.44 180.09 1x4h h GLN 37 N 0.00 0.00 -0.42 1.13 4.20 0.01 -2.95 115.11 117.08 1x4h h GLN 37 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1x4h h GLN 37 Cb 0.65 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 1x4h h GLN 37 CO 0.00 0.00 0.23 -0.56 -0.67 0.00 0.00 178.83 177.83 1x4h h GLN 38 N 0.00 0.58 0.41 1.46 3.07 -1.63 -3.20 115.11 115.80 1x4h h GLN 38 Ca 0.00 -0.07 -0.02 0.00 0.09 0.00 0.00 58.65 58.65 1x4h h GLN 38 Cb 0.39 -0.12 0.00 0.00 0.08 0.00 0.00 27.48 27.84 1x4h h GLN 38 CO 0.00 0.46 -0.19 0.74 0.09 0.00 0.00 178.83 179.93 1x4h h PHE 39 N 0.55 -0.50 -3.34 0.06 -1.00 -1.74 -3.48 116.94 107.48 1x4h h PHE 39 Ca 0.15 -0.01 -0.05 0.00 2.81 0.00 0.00 57.97 60.86 1x4h h PHE 39 Cb 0.05 0.17 -0.04 0.00 3.61 0.00 0.00 35.95 39.73 1x4h h PHE 39 CO -0.02 -0.18 0.10 0.20 -1.61 0.00 0.00 178.31 176.80 1x4h s GLY 40 N -2.68 0.51 0.03 -1.45 0.00 -1.21 -4.96 107.32 97.56 1x4h s GLY 40 Ca -0.14 -0.82 -0.30 0.00 0.00 0.00 0.00 44.72 43.46 1x4h s GLY 40 CO 0.50 -0.45 1.69 0.99 0.00 0.00 0.00 173.10 175.83 1x4h s ASP 41 N -3.06 6.61 -0.36 1.64 1.11 -1.26 -4.15 116.67 117.19 1x4h s ASP 41 Ca 0.19 2.43 -0.27 0.00 0.18 0.00 0.00 52.55 55.07 1x4h s ASP 41 Cb -0.04 -2.55 0.02 0.00 1.07 0.00 0.00 42.92 41.42 1x4h s ASP 41 CO 0.12 -0.92 0.99 -0.76 1.18 0.00 0.00 175.17 175.78 1x4h s LEU 42 N 3.32 3.94 0.14 1.23 1.43 -1.26 -1.13 118.68 126.34 1x4h s LEU 42 Ca 0.76 0.72 -0.18 0.00 -1.03 0.00 0.00 54.13 54.40 1x4h s LEU 42 Cb -0.38 -3.38 -0.02 0.00 0.03 0.00 0.00 46.19 42.44 1x4h s LEU 42 CO 0.33 -0.91 1.79 0.50 0.23 0.00 0.00 176.35 178.29 1x4h h LYS 43 N 8.43 0.38 -1.95 1.70 1.63 -0.20 -3.45 116.57 123.11 1x4h h LYS 43 Ca -0.22 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.52 1x4h h LYS 43 Cb 1.07 -0.09 -0.22 0.00 -0.60 0.00 0.00 32.23 32.40 1x4h h LYS 43 CO 1.01 0.25 0.17 1.52 -3.45 0.00 0.00 179.45 178.96 1x4h s TYR 44 N -6.17 -0.75 -0.20 1.91 -0.85 -1.20 -4.99 117.35 105.11 1x4h s TYR 44 Ca -0.13 1.82 -0.00 0.00 -0.52 0.00 0.00 57.07 58.24 1x4h s TYR 44 Cb 0.10 0.28 0.05 0.00 0.38 0.00 0.00 41.96 42.77 1x4h s TYR 44 CO 0.71 -0.37 -0.05 0.54 -1.52 0.00 0.00 175.55 174.86 1x4h s VAL 45 N 0.32 1.26 -0.07 -3.49 0.11 -1.26 -1.10 120.40 116.17 1x4h s VAL 45 Ca 0.00 -0.88 0.02 0.00 -2.93 0.00 0.00 61.98 58.19 1x4h s VAL 45 Cb -0.05 -1.49 0.01 0.00 -1.53 0.00 0.00 36.38 33.32 1x4h s VAL 45 CO 0.00 0.01 -0.12 -0.60 -3.33 0.00 0.00 175.10 171.07 1x4h s ARG 46 N 1.54 1.67 -0.17 1.54 6.06 -0.49 -5.00 118.95 124.11 1x4h s ARG 46 Ca -0.02 -0.40 -0.01 0.00 -2.50 0.00 0.00 55.73 52.80 1x4h s ARG 46 Cb -0.17 -1.40 -0.00 0.00 0.06 0.00 0.00 34.95 33.44 1x4h s ARG 46 CO -0.07 0.02 -0.13 0.54 -2.50 0.00 0.00 175.30 173.15 1x4h s VAL 47 N 0.70 2.81 -0.08 7.11 0.11 -1.26 -0.61 120.40 129.17 1x4h s VAL 47 Ca -0.14 -0.71 -0.30 0.00 -2.93 0.00 0.00 61.98 57.90 1x4h s VAL 47 Cb -0.16 -2.21 -0.05 0.00 -1.53 0.00 0.00 36.38 32.44 1x4h s VAL 47 CO 0.03 0.50 1.66 0.54 -3.33 0.00 0.00 175.10 174.50 1x4h s VAL 48 N 0.96 3.59 -0.02 2.04 0.11 -1.20 -5.00 120.40 120.88 1x4h s VAL 48 Ca -0.02 0.70 0.07 0.00 -2.93 0.00 0.00 61.98 59.80 1x4h s VAL 48 Cb -0.15 -3.48 -0.02 0.00 -1.53 0.00 0.00 36.38 31.20 1x4h s VAL 48 CO -0.02 -0.09 -0.22 -0.76 -3.33 0.00 0.00 175.10 170.68 1x4h s LEU 49 N 4.30 2.28 0.33 2.54 1.43 -1.26 -2.65 118.68 125.65 1x4h s LEU 49 Ca 0.74 -0.40 -0.28 0.00 -1.03 0.00 0.00 54.13 53.16 1x4h s LEU 49 Cb -0.32 -1.41 -0.12 0.00 0.03 0.00 0.00 46.19 44.37 1x4h s LEU 49 CO 0.30 0.32 1.32 1.57 0.23 0.00 0.00 176.35 180.09 1x4h n HIS 50 N 2.31 2.33 -0.87 0.29 -0.00 0.55 -4.86 115.22 114.98 1x4h n HIS 50 Ca -0.16 0.53 -0.21 0.00 -0.00 0.00 0.00 57.72 57.88 1x4h n HIS 50 Cb 0.51 -2.43 0.17 0.00 -0.00 0.00 0.00 29.99 28.25 1x4h n HIS 50 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1x4h n PRO 51 N 0.70 -2.50 -1.71 1.57 -0.04 -1.26 -3.66 135.00 128.09 1x4h n PRO 51 Ca 0.05 -1.21 0.00 0.00 -0.04 0.00 0.00 63.50 62.31 1x4h n PRO 51 Cb 0.36 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 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 -4.30 -0.52 -3.85 3.54 2.03 -1.26 -4.66 116.55 107.53 1x4h n ASP 52 Ca 0.10 0.26 0.03 0.00 0.52 0.00 0.00 54.79 55.70 1x4h n ASP 52 Cb 0.41 -0.72 0.01 0.00 -0.72 0.00 0.00 41.12 40.10 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 -1.43 0.00 -0.33 5.18 -1.32 -1.24 -5.04 115.64 111.46 1x4h s THR 53 Ca 0.00 -0.14 0.06 0.00 -1.21 0.00 0.00 61.69 60.40 1x4h s THR 53 Cb 0.00 -2.91 0.46 0.00 -1.51 0.00 0.00 72.50 68.53 1x4h s THR 53 CO 0.00 0.00 1.29 1.21 -2.21 0.00 0.00 174.62 174.91 1x4h n GLU 54 N -0.90 3.33 -3.20 7.08 0.00 -1.26 -4.68 120.64 121.01 1x4h n GLU 54 Ca 0.04 -3.99 -0.32 0.00 0.00 0.00 0.00 57.16 52.89 1x4h n GLU 54 Cb 0.59 -2.22 -0.05 0.00 0.00 0.00 0.00 31.44 29.75 1x4h n GLU 54 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 1x4h s HIS 55 N -3.59 3.40 -0.51 4.31 3.76 -1.26 -4.93 115.29 116.48 1x4h s HIS 55 Ca 0.52 1.06 -0.17 0.00 -0.15 0.00 0.00 55.06 56.32 1x4h s HIS 55 Cb 0.42 -2.42 0.09 0.00 1.11 0.00 0.00 32.58 31.78 1x4h s HIS 55 CO 0.03 0.13 0.50 0.45 -0.85 0.00 0.00 174.74 174.99 1x4h s SER 56 N -2.45 6.18 0.23 1.40 0.15 -1.26 -0.33 113.70 117.62 1x4h s SER 56 Ca 0.51 -1.36 0.05 0.00 0.70 0.00 0.00 55.95 55.85 1x4h s SER 56 Cb -0.11 -2.22 0.66 0.00 -1.71 0.00 0.00 66.02 62.64 1x4h s SER 56 CO 0.21 -0.80 1.10 0.29 1.20 0.00 0.00 173.24 175.25 1x4h n LYS 57 N 5.53 -0.05 0.00 5.44 4.76 -1.09 -4.68 118.16 128.08 1x4h n LYS 57 Ca -0.11 1.03 0.00 0.00 -2.87 0.00 0.00 58.31 56.36 1x4h n LYS 57 Cb 0.43 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 1x4h n LYS 57 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1x4h n GLY 58 N -1.30 0.54 3.60 0.72 0.00 -1.26 -5.01 105.19 102.47 1x4h n GLY 58 Ca 0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.48 -0.07 0.00 0.00 -0.96 -3.20 121.76 112.18 1x4h s ALA 60 Ca 0.08 0.82 0.04 0.00 0.00 0.00 0.00 51.96 52.90 1x4h s ALA 60 Cb -0.02 0.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.36 1x4h s ALA 60 CO -0.02 -0.47 -0.18 -0.06 0.00 0.00 0.00 175.76 175.03 1x4h s PHE 61 N -2.07 2.63 0.23 0.00 0.40 0.22 -0.76 117.98 118.63 1x4h s PHE 61 Ca -0.07 -0.48 0.01 0.00 -0.60 0.00 0.00 56.93 55.78 1x4h s PHE 61 Cb -0.01 -1.67 -0.05 0.00 0.51 0.00 0.00 43.02 41.80 1x4h s PHE 61 CO 0.02 -0.06 0.08 0.00 0.70 0.00 0.00 175.22 175.96 1x4h s ALA 62 N -0.25 1.53 -0.01 5.36 0.00 0.34 -1.40 121.76 127.33 1x4h s ALA 62 Ca 0.00 -1.78 0.01 0.00 0.00 0.00 0.00 51.96 50.20 1x4h s ALA 62 Cb -0.13 1.01 0.00 0.00 0.00 0.00 0.00 23.12 24.01 1x4h s ALA 62 CO 0.03 -0.46 -0.04 -1.14 0.00 0.00 0.00 175.76 174.15 1x4h s GLN 63 N -4.04 0.40 0.54 0.00 0.74 -0.26 -1.48 119.66 115.58 1x4h s GLN 63 Ca 0.35 -0.12 0.02 0.00 0.05 0.00 0.00 55.36 55.67 1x4h s GLN 63 Cb 0.07 -0.43 0.04 0.00 1.10 0.00 0.00 33.01 33.80 1x4h s GLN 63 CO 0.11 0.04 0.76 -0.06 -0.55 0.00 0.00 175.29 175.59 1x4h s PHE 64 N 0.19 2.72 -1.62 1.67 0.08 -1.26 0.46 117.98 120.22 1x4h s PHE 64 Ca -0.02 -0.11 0.24 0.00 0.12 0.00 0.00 56.93 57.15 1x4h s PHE 64 Cb -0.05 -2.70 0.22 0.00 -0.57 0.00 0.00 43.02 39.92 1x4h s PHE 64 CO -0.00 -0.87 1.22 -1.33 -0.10 0.00 0.00 175.22 174.14 1x4h n MET 65 N -2.30 0.71 -3.75 0.44 2.81 -0.28 -4.38 117.12 110.37 1x4h n MET 65 Ca 0.09 -0.53 -0.13 0.00 -1.81 0.00 0.00 57.70 55.32 1x4h n MET 65 Cb 0.60 -1.49 -0.10 0.00 -0.71 0.00 0.00 33.22 31.51 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 -2.66 -0.00 0.19 2.03 -4.23 -1.26 -5.04 115.64 104.67 1x4h s THR 66 Ca 0.17 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.55 1x4h s THR 66 Cb 0.18 -0.51 0.12 0.00 1.34 0.00 0.00 72.50 73.62 1x4h s THR 66 CO 0.63 0.00 1.71 1.56 -0.54 0.00 0.00 174.62 177.98 1x4h h GLN 67 N 5.57 0.21 -0.91 3.99 4.20 -1.91 -0.45 115.11 125.81 1x4h h GLN 67 Ca -0.27 -0.01 0.14 0.00 0.06 0.00 0.00 58.65 58.57 1x4h h GLN 67 Cb 1.18 -0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.84 1x4h h GLN 67 CO 0.28 0.14 0.58 1.49 -0.67 0.00 0.00 178.83 180.65 1x4h h GLU 68 N 0.22 0.71 0.62 1.46 4.57 -1.99 -2.60 114.58 117.56 1x4h h GLU 68 Ca 0.25 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.37 1x4h h GLU 68 Cb 0.35 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.78 1x4h h GLU 68 CO -0.35 0.47 -0.42 0.00 -1.18 0.00 0.00 179.01 177.54 1x4h h ALA 69 N 1.59 -1.19 -0.71 2.92 0.00 -1.45 -0.34 119.26 120.08 1x4h h ALA 69 Ca 0.46 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 55.30 1x4h h ALA 69 Cb 0.69 0.56 -0.13 0.00 0.00 0.00 0.00 17.79 18.90 1x4h h ALA 69 CO -0.22 -1.17 -0.27 0.00 0.00 0.00 0.00 179.25 177.60 1x4h h ALA 70 N -1.25 0.25 -0.54 0.00 0.00 -1.30 0.14 119.26 116.56 1x4h h ALA 70 Ca -0.08 0.24 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1x4h h ALA 70 Cb 0.80 0.70 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 1x4h h ALA 70 CO 0.06 -0.54 0.29 1.96 0.00 0.00 0.00 179.25 181.02 1x4h h GLN 71 N -0.07 0.54 -0.08 0.00 1.08 -1.35 -0.54 115.11 114.69 1x4h h GLN 71 Ca 0.31 -0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.50 1x4h h GLN 71 Cb 0.56 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.86 1x4h h GLN 71 CO -0.76 0.36 0.08 0.87 -0.95 0.00 0.00 178.83 178.43 1x4h h LYS 72 N 0.55 0.00 0.01 1.46 1.57 0.10 -0.28 116.57 119.99 1x4h h LYS 72 Ca 0.24 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.81 1x4h h LYS 72 Cb 0.12 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1x4h h LYS 72 CO -0.15 0.00 -0.94 0.00 -0.57 0.00 0.00 179.45 177.78 1x4h h LEU 74 N 0.02 -0.14 -1.99 0.00 3.38 -0.56 -0.38 115.31 115.65 1x4h h LEU 74 Ca -0.03 0.00 0.56 0.00 0.09 0.00 0.00 57.88 58.51 1x4h h LEU 74 Cb 1.64 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 42.35 1x4h h LEU 74 CO 0.13 -0.02 1.39 0.00 0.09 0.00 0.00 178.44 180.03 1x4h h ALA 75 N -1.78 3.83 0.08 1.53 0.00 -1.62 1.85 119.26 123.16 1x4h h ALA 75 Ca -0.02 -0.06 -0.30 0.00 0.00 0.00 0.00 54.91 54.53 1x4h h ALA 75 Cb 0.12 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1x4h h ALA 75 CO 0.03 -2.39 -1.57 0.00 0.00 0.00 0.00 179.25 175.32 1x4h h ALA 76 N 1.04 0.40 0.00 0.00 0.00 -1.59 -3.33 119.26 115.78 1x4h h ALA 76 Ca 0.92 -1.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 1x4h h ALA 76 Cb 3.70 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 21.81 1x4h h ALA 76 CO -0.02 1.26 -0.39 0.00 0.00 0.00 0.00 179.25 180.10 1x4h h ALA 77 N 0.60 1.13 -1.74 0.00 0.00 0.46 -0.40 119.26 119.30 1x4h h ALA 77 Ca -0.25 -0.36 -0.55 0.00 0.00 0.00 0.00 54.91 53.75 1x4h h ALA 77 Cb 1.99 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.69 1x4h h ALA 77 CO 0.13 0.49 1.25 0.45 0.00 0.00 0.00 179.25 181.58 1x4h s SER 78 N -6.62 5.82 0.56 0.00 0.15 0.18 -3.81 113.70 109.97 1x4h s SER 78 Ca -0.01 0.91 0.26 0.00 0.70 0.00 0.00 55.95 57.80 1x4h s SER 78 Cb 0.12 -2.53 1.49 0.00 -1.71 0.00 0.00 66.02 63.39 1x4h s SER 78 CO 0.70 -1.84 2.03 0.17 1.20 0.00 0.00 173.24 175.51 1x4h h LEU 79 N 14.10 0.00 -0.69 3.45 -0.00 -1.90 -0.90 115.31 129.37 1x4h h LEU 79 Ca -0.30 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.59 1x4h h LEU 79 Cb 1.15 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.78 1x4h h LEU 79 CO 1.10 0.00 0.45 -0.08 -0.00 0.00 0.00 178.44 179.91 1x4h h GLU 80 N 0.00 0.91 -6.39 0.17 4.81 -1.94 -3.40 114.58 108.74 1x4h h GLU 80 Ca 0.17 -0.06 -0.63 0.00 -0.13 0.00 0.00 59.36 58.71 1x4h h GLU 80 Cb 0.76 -0.20 0.06 0.00 0.63 0.00 0.00 28.75 30.00 1x4h h GLU 80 CO -0.00 0.61 0.56 0.00 -0.73 0.00 0.00 179.01 179.44 1x4h n ALA 81 N -2.29 0.06 -1.21 2.92 0.00 -0.35 -4.62 120.51 115.02 1x4h n ALA 81 Ca 0.06 0.47 -0.36 0.00 0.00 0.00 0.00 53.44 53.62 1x4h n ALA 81 Cb 0.02 -2.18 -0.12 0.00 0.00 0.00 0.00 19.45 17.17 1x4h n ALA 81 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1x4h n GLU 82 N 2.63 0.00 -3.33 0.00 1.02 -1.26 -2.24 120.64 117.47 1x4h n GLU 82 Ca 0.17 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 57.00 1x4h n GLU 82 Cb 0.25 -1.24 0.03 0.00 -0.02 0.00 0.00 31.44 30.46 1x4h n GLU 82 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x4h n GLY 83 N 5.46 0.15 0.00 0.62 0.00 -1.26 -4.90 105.19 105.26 1x4h n GLY 83 Ca 0.53 0.89 0.00 0.00 0.00 0.00 0.00 46.02 47.44 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 0.11 0.08 2.49 -0.02 0.00 -0.95 -5.11 105.19 101.79 1x4h n GLY 84 Ca -0.07 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 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 0.15 -0.73 3.85 -0.02 0.00 -0.17 -4.41 105.19 103.85 1x4h n GLY 85 Ca 0.00 0.40 -0.35 0.00 0.00 0.00 0.00 46.02 46.06 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 1.09 4.37 -0.02 0.99 1.02 -1.14 -4.91 118.68 120.08 1x4h s LEU 86 Ca 0.56 0.91 0.00 0.00 0.02 0.00 0.00 54.13 55.62 1x4h s LEU 86 Cb -0.79 -2.99 0.02 0.00 0.02 0.00 0.00 46.19 42.44 1x4h s LEU 86 CO 0.41 0.18 -0.00 -0.54 0.02 0.00 0.00 176.35 176.42 1x4h s LYS 87 N -1.77 0.20 -0.38 1.70 1.02 -1.26 -1.34 119.74 117.91 1x4h s LYS 87 Ca 0.33 0.04 -0.00 0.00 0.02 0.00 0.00 55.97 56.35 1x4h s LYS 87 Cb -0.15 -0.33 0.10 0.00 -0.52 0.00 0.00 37.83 36.94 1x4h s LYS 87 CO 0.18 -0.07 0.13 -1.17 -0.92 0.00 0.00 175.35 173.50 1x4h s LEU 88 N 0.62 4.98 -0.81 3.17 2.96 -0.52 -4.62 118.68 124.47 1x4h s LEU 88 Ca -0.06 -2.01 0.00 0.00 -0.22 0.00 0.00 54.13 51.84 1x4h s LEU 88 Cb -0.09 -1.75 0.00 0.00 0.50 0.00 0.00 46.19 44.85 1x4h s LEU 88 CO -0.01 -0.47 0.00 -0.67 -1.32 0.00 0.00 176.35 173.88 1x4h n ASP 89 N 4.48 -3.35 0.00 3.68 2.03 -1.26 -2.81 116.55 119.32 1x4h n ASP 89 Ca -0.01 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1x4h n ASP 89 Cb 0.42 -2.39 0.00 0.00 -0.72 0.00 0.00 41.12 38.43 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 -1.23 0.64 3.15 0.27 0.00 -1.26 -5.06 105.19 101.71 1x4h n GLY 90 Ca -0.10 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.09 2.84 -0.01 1.61 1.81 -1.12 -5.08 118.95 117.91 1x4h s ARG 91 Ca 0.00 -0.95 -0.30 0.00 -1.72 0.00 0.00 55.73 52.76 1x4h s ARG 91 Cb 0.00 -2.79 -0.08 0.00 -0.45 0.00 0.00 34.95 31.63 1x4h s ARG 91 CO 0.00 -0.33 1.95 -1.14 -0.68 0.00 0.00 175.30 175.10 1x4h s GLN 92 N 1.28 4.03 -0.07 3.54 -0.44 -1.26 -1.43 119.66 125.31 1x4h s GLN 92 Ca 0.01 2.48 -0.14 0.00 -2.50 0.00 0.00 55.36 55.22 1x4h s GLN 92 Cb -0.16 -4.16 -0.05 0.00 -1.64 0.00 0.00 33.01 27.00 1x4h s GLN 92 CO -0.08 -1.07 0.34 -0.51 0.50 0.00 0.00 175.29 174.47 1x4h s LEU 93 N 4.83 4.38 -0.36 3.68 1.43 -0.45 -4.59 118.68 127.60 1x4h s LEU 93 Ca 0.88 0.75 -0.01 0.00 -1.03 0.00 0.00 54.13 54.71 1x4h s LEU 93 Cb -0.40 -2.46 0.09 0.00 0.03 0.00 0.00 46.19 43.45 1x4h s LEU 93 CO 0.39 0.25 0.12 -0.54 0.23 0.00 0.00 176.35 176.79 1x4h s LYS 94 N -0.49 2.03 -0.23 1.70 1.02 -0.42 -4.53 119.74 118.82 1x4h s LYS 94 Ca 0.21 -1.67 -0.13 0.00 0.02 0.00 0.00 55.97 54.40 1x4h s LYS 94 Cb -0.15 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.72 1x4h s LYS 94 CO 0.09 -0.91 0.29 0.08 -0.92 0.00 0.00 175.35 173.97 1x4h s VAL 95 N 1.13 5.26 0.01 3.17 1.01 -1.25 -0.17 120.40 129.57 1x4h s VAL 95 Ca 0.05 0.45 0.01 0.00 0.00 0.00 0.00 61.98 62.49 1x4h s VAL 95 Cb -0.21 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1x4h s VAL 95 CO -0.04 0.27 -0.05 -0.62 0.00 0.00 0.00 175.10 174.66 1x4h s ASP 96 N 1.20 0.59 -0.51 3.32 2.15 -0.22 -4.68 116.67 118.53 1x4h s ASP 96 Ca 0.13 -0.26 -0.26 0.00 0.43 0.00 0.00 52.55 52.59 1x4h s ASP 96 Cb -0.15 -0.01 -0.06 0.00 -0.30 0.00 0.00 42.92 42.40 1x4h s ASP 96 CO 0.07 -0.06 2.31 -0.22 -0.17 0.00 0.00 175.17 177.10 1x4h s LEU 97 N -0.68 3.39 0.83 -1.34 1.98 -1.26 -0.06 118.68 121.53 1x4h s LEU 97 Ca -0.03 0.95 -0.10 0.00 -2.89 0.00 0.00 54.13 52.05 1x4h s LEU 97 Cb -0.05 -2.51 0.13 0.00 0.66 0.00 0.00 46.19 44.42 1x4h s LEU 97 CO -0.00 -2.79 1.16 0.00 -1.89 0.00 0.00 176.35 172.83 1x4h s ALA 98 N 11.65 2.79 -0.15 5.97 0.00 -1.26 -4.93 121.76 135.84 1x4h s ALA 98 Ca 0.92 -1.12 -0.10 0.00 0.00 0.00 0.00 51.96 51.66 1x4h s ALA 98 Cb -0.16 -2.63 0.05 0.00 0.00 0.00 0.00 23.12 20.37 1x4h s ALA 98 CO 0.25 -1.84 0.38 0.54 0.00 0.00 0.00 175.76 175.09 1x4h s VAL 99 N -3.54 -0.02 0.16 0.00 0.11 -1.26 -4.53 120.40 111.31 1x4h s VAL 99 Ca 0.67 0.07 -0.16 0.00 -2.93 0.00 0.00 61.98 59.63 1x4h s VAL 99 Cb -0.07 -0.56 0.03 0.00 -1.53 0.00 0.00 36.38 34.25 1x4h s VAL 99 CO 0.49 0.03 1.75 0.00 -3.33 0.00 0.00 175.10 174.03 1x4h h THR 100 N 5.27 0.89 -1.67 5.04 1.03 -2.01 -3.39 112.91 118.06 1x4h h THR 100 Ca -0.34 -0.09 -0.52 0.00 -0.01 0.00 0.00 66.41 65.45 1x4h h THR 100 Cb 1.18 0.59 0.00 0.00 -1.07 0.00 0.00 68.15 68.85 1x4h h THR 100 CO 0.30 0.05 1.58 -1.14 -0.01 0.00 0.00 175.52 176.30 1x4h n ARG 101 N -5.02 1.35 -4.16 0.00 0.63 -1.26 -4.94 116.66 103.26 1x4h n ARG 101 Ca 0.01 0.20 -0.35 0.00 -0.92 0.00 0.00 57.85 56.80 1x4h n ARG 101 Cb 0.13 -3.27 -0.10 0.00 0.45 0.00 0.00 32.46 29.67 1x4h n ARG 101 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1x4h s ASP 102 N 10.50 5.42 -0.66 6.15 2.15 -1.26 -5.00 116.67 133.97 1x4h s ASP 102 Ca 1.01 0.08 -0.02 0.00 0.43 0.00 0.00 52.55 54.05 1x4h s ASP 102 Cb -0.30 -1.83 0.37 0.00 -0.30 0.00 0.00 42.92 40.87 1x4h s ASP 102 CO 0.31 0.23 2.08 -0.62 -0.17 0.00 0.00 175.17 177.00 1x4h n GLU 103 N 3.13 2.58 -1.54 4.34 1.02 -1.26 -4.97 120.64 123.94 1x4h n GLU 103 Ca -0.17 -3.08 -0.38 0.00 -0.02 0.00 0.00 57.16 53.50 1x4h n GLU 103 Cb 0.53 -2.20 -0.05 0.00 -0.02 0.00 0.00 31.44 29.70 1x4h n GLU 103 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1x4h n ALA 104 N -0.57 0.81 -2.51 0.62 0.00 -1.26 -4.92 120.51 112.68 1x4h n ALA 104 Ca 0.56 -0.74 -0.39 0.00 0.00 0.00 0.00 53.44 52.88 1x4h n ALA 104 Cb 0.54 -3.01 -0.06 0.00 0.00 0.00 0.00 19.45 16.92 1x4h n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x4h s ALA 105 N 11.16 3.47 0.46 0.00 0.00 -1.26 -5.03 121.76 130.57 1x4h s ALA 105 Ca 1.05 0.04 -0.23 0.00 0.00 0.00 0.00 51.96 52.82 1x4h s ALA 105 Cb -0.39 -2.77 -0.09 0.00 0.00 0.00 0.00 23.12 19.87 1x4h s ALA 105 CO 0.32 0.13 0.95 0.45 0.00 0.00 0.00 175.76 177.60 1x4h n SER 106 N 2.87 0.91 0.00 0.00 2.88 -1.26 -4.79 113.62 114.23 1x4h n SER 106 Ca -0.06 0.97 0.00 0.00 -1.33 0.00 0.00 58.87 58.44 1x4h n SER 106 Cb 0.51 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 1x4h n SER 106 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4h n GLY 107 N 1.27 0.55 3.71 0.46 0.00 -1.26 -5.09 105.19 104.83 1x4h n GLY 107 Ca 0.10 -1.44 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.00 4.33 -0.17 1.61 0.04 -1.26 -4.94 135.00 132.61 1x4h s PRO 108 Ca 0.00 2.03 -0.10 0.00 0.04 0.00 0.00 61.00 62.97 1x4h s PRO 108 Cb 0.00 -3.29 -0.07 0.00 0.04 0.00 0.00 34.50 31.18 1x4h s PRO 108 CO 0.00 -0.43 -0.24 0.43 0.04 0.00 0.00 177.00 176.80 1x4h n SER 109 N 4.07 1.38 -4.72 6.66 7.64 -1.26 -5.02 113.62 122.38 1x4h n SER 109 Ca 0.11 0.24 -0.36 0.00 1.01 0.00 0.00 58.87 59.87 1x4h n SER 109 Cb 0.43 -0.56 0.09 0.00 -1.01 0.00 0.00 64.21 63.15 1x4h n SER 109 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x4h s SER 110 N -6.55 4.28 0.00 6.43 0.01 -1.26 -5.28 113.70 111.32 1x4h s SER 110 Ca -0.25 2.54 0.29 0.00 1.31 0.00 0.00 55.95 59.84 1x4h s SER 110 Cb 0.09 -2.61 1.31 0.00 0.21 0.00 0.00 66.02 65.02 1x4h s SER 110 CO 0.32 -2.22 1.89 0.61 0.41 0.00 0.00 173.24 174.25