#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5r s SER 2 N 0.00 5.99 -0.10 1.61 0.15 -1.26 -5.05 113.70 115.05 1x5r s SER 2 Ca 0.00 -3.39 -0.23 0.00 0.70 0.00 0.00 55.95 53.03 1x5r s SER 2 Cb 0.00 -1.95 -0.03 0.00 -1.71 0.00 0.00 66.02 62.33 1x5r s SER 2 CO 0.00 -0.28 0.72 -0.55 1.20 0.00 0.00 173.24 174.33 1x5r s SER 3 N 0.43 6.95 0.52 5.45 0.15 -1.26 -5.04 113.70 120.91 1x5r s SER 3 Ca 0.24 1.14 -0.20 0.00 0.70 0.00 0.00 55.95 57.83 1x5r s SER 3 Cb -0.11 -2.41 -0.06 0.00 -1.71 0.00 0.00 66.02 61.72 1x5r s SER 3 CO -0.09 -0.18 1.14 -0.83 1.20 0.00 0.00 173.24 174.47 1x5r s GLY 4 N 0.91 2.67 0.07 9.45 0.00 -1.26 -5.05 107.32 114.10 1x5r s GLY 4 Ca 0.37 0.85 0.01 0.00 0.00 0.00 0.00 44.72 45.95 1x5r s GLY 4 CO 0.16 1.23 -0.06 -0.45 0.00 0.00 0.00 173.10 173.98 1x5r s SER 5 N -1.68 0.87 -0.17 1.64 0.15 -1.26 -5.16 113.70 108.09 1x5r s SER 5 Ca 0.71 -0.85 -0.35 0.00 0.70 0.00 0.00 55.95 56.16 1x5r s SER 5 Cb -0.25 0.10 0.14 0.00 -1.71 0.00 0.00 66.02 64.30 1x5r s SER 5 CO 0.29 -0.41 1.28 -0.94 1.20 0.00 0.00 173.24 174.65 1x5r s SER 6 N -2.53 -0.08 0.00 5.45 1.04 -1.26 -5.09 113.70 111.23 1x5r s SER 6 Ca 0.03 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.44 1x5r s SER 6 Cb 0.01 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.23 1x5r s SER 6 CO -0.04 -0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.61 1x5r n GLY 7 N -0.17 0.18 0.00 7.32 0.00 -1.26 -5.11 105.19 106.14 1x5r n GLY 7 Ca -0.01 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1x5r n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x5r n GLY 8 N 0.00 3.34 0.00 -0.02 0.00 -1.26 -5.16 105.19 102.09 1x5r n GLY 8 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1x5r n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x5r n GLY 9 N 0.00 0.27 3.41 -0.02 0.00 -1.26 -5.06 105.19 102.52 1x5r n GLY 9 Ca 0.00 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.09 1x5r n GLY 9 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1x5r s GLN 10 N 0.00 1.23 0.54 1.61 0.74 -1.26 -5.16 119.66 117.37 1x5r s GLN 10 Ca 0.00 -0.66 -0.18 0.00 0.05 0.00 0.00 55.36 54.56 1x5r s GLN 10 Cb 0.00 0.53 -0.06 0.00 1.10 0.00 0.00 33.01 34.58 1x5r s GLN 10 CO 0.00 -0.51 1.07 0.96 -0.55 0.00 0.00 175.29 176.26 1x5r s ILE 11 N -3.80 3.59 0.27 -2.34 -5.25 -1.26 -4.95 121.20 107.46 1x5r s ILE 11 Ca 0.04 0.90 -0.30 0.00 -0.99 0.00 0.00 60.65 60.30 1x5r s ILE 11 Cb 0.00 -3.36 -0.13 0.00 2.95 0.00 0.00 42.46 41.92 1x5r s ILE 11 CO -0.10 -0.30 1.35 1.33 -1.79 0.00 0.00 174.94 175.43 1x5r n VAL 12 N -1.46 1.33 0.30 8.37 0.24 -1.26 -4.85 118.33 121.00 1x5r n VAL 12 Ca 0.10 -0.33 0.16 0.00 -2.04 0.00 0.00 64.34 62.22 1x5r n VAL 12 Cb 0.52 -1.47 0.56 0.00 -1.47 0.00 0.00 33.84 31.97 1x5r n VAL 12 CO 0.00 0.00 0.00 1.12 -2.14 0.00 0.00 176.83 175.81 1x5r h HIS 13 N 3.58 0.00 -3.56 6.34 2.07 -2.01 -3.44 115.15 118.12 1x5r h HIS 13 Ca -0.45 0.00 -0.30 0.00 -2.85 0.00 0.00 60.37 56.77 1x5r h HIS 13 Cb 1.28 0.00 -0.15 0.00 2.57 0.00 0.00 27.41 31.11 1x5r h HIS 13 CO 0.54 0.00 -0.72 0.99 -3.07 0.00 0.00 177.93 175.68 1x5r s THR 14 N -3.52 1.02 0.47 6.12 2.01 -1.26 -4.99 115.64 115.49 1x5r s THR 14 Ca 0.03 -1.93 0.08 0.00 0.31 0.00 0.00 61.69 60.18 1x5r s THR 14 Cb 0.08 -1.69 0.02 0.00 0.01 0.00 0.00 72.50 70.92 1x5r s THR 14 CO 0.55 -0.72 0.52 -1.61 -0.69 0.00 0.00 174.62 172.66 1x5r s GLU 15 N -3.51 2.50 0.16 4.92 0.41 0.23 -5.00 118.70 118.41 1x5r s GLU 15 Ca 0.13 -1.57 -0.20 0.00 -0.41 0.00 0.00 54.97 52.92 1x5r s GLU 15 Cb 0.02 -2.48 0.05 0.00 -1.78 0.00 0.00 34.13 29.94 1x5r s GLU 15 CO -0.01 -0.43 0.52 0.95 -0.49 0.00 0.00 175.26 175.80 1x5r s THR 16 N -2.54 0.03 -0.02 3.63 -4.23 -1.26 -2.71 115.64 108.54 1x5r s THR 16 Ca 0.50 -0.36 0.01 0.00 -1.18 0.00 0.00 61.69 60.67 1x5r s THR 16 Cb -0.05 -1.18 0.01 0.00 1.34 0.00 0.00 72.50 72.61 1x5r s THR 16 CO 0.30 -0.13 -0.04 0.28 -0.54 0.00 0.00 174.62 174.49 1x5r s THR 17 N -3.79 0.43 -0.31 3.99 -1.32 -1.11 -4.95 115.64 108.56 1x5r s THR 17 Ca 0.03 -0.16 -0.16 0.00 -1.21 0.00 0.00 61.69 60.19 1x5r s THR 17 Cb -0.00 -0.41 -0.02 0.00 -1.51 0.00 0.00 72.50 70.56 1x5r s THR 17 CO -0.10 0.15 0.41 -0.70 -2.21 0.00 0.00 174.62 172.17 1x5r s GLU 18 N 0.30 3.77 -0.38 7.08 2.12 -1.26 -2.34 118.70 127.99 1x5r s GLU 18 Ca -0.03 -0.16 -0.12 0.00 0.36 0.00 0.00 54.97 55.02 1x5r s GLU 18 Cb -0.07 -3.74 0.02 0.00 0.26 0.00 0.00 34.13 30.60 1x5r s GLU 18 CO -0.00 -0.45 0.23 0.08 -0.54 0.00 0.00 175.26 174.57 1x5r s VAL 19 N 2.14 4.79 -0.39 3.70 1.01 -0.49 -4.92 120.40 126.24 1x5r s VAL 19 Ca 0.15 -0.76 -0.17 0.00 0.00 0.00 0.00 61.98 61.20 1x5r s VAL 19 Cb -0.16 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.58 1x5r s VAL 19 CO 0.11 -0.23 0.45 -0.69 0.00 0.00 0.00 175.10 174.74 1x5r s VAL 20 N 1.60 5.07 0.07 2.92 1.01 -1.26 -1.71 120.40 128.10 1x5r s VAL 20 Ca 0.03 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 61.96 1x5r s VAL 20 Cb -0.19 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1x5r s VAL 20 CO 0.08 -0.33 -0.01 -0.76 0.00 0.00 0.00 175.10 174.07 1x5r s LEU 21 N 2.22 3.41 0.03 3.92 1.43 -0.75 -4.95 118.68 124.00 1x5r s LEU 21 Ca 0.14 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.10 1x5r s LEU 21 Cb -0.16 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 43.93 1x5r s LEU 21 CO 0.14 0.20 -0.09 0.00 0.23 0.00 0.00 176.35 176.82 1x5r n GLY 23 N 1.98 -0.71 3.94 0.00 0.00 -1.19 -4.73 105.19 104.47 1x5r n GLY 23 Ca -0.19 -0.99 -0.25 0.00 0.00 0.00 0.00 46.02 44.59 1x5r n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x5r s ASP 24 N 0.00 5.61 0.30 1.61 1.11 -1.13 -4.13 116.67 120.04 1x5r s ASP 24 Ca 0.00 0.48 0.26 0.00 0.18 0.00 0.00 52.55 53.46 1x5r s ASP 24 Cb 0.00 -1.53 0.90 0.00 1.07 0.00 0.00 42.92 43.35 1x5r s ASP 24 CO 0.00 -0.96 1.76 1.55 1.18 0.00 0.00 175.17 178.70 1x5r h PRO 25 N 0.04 0.00 0.00 8.23 0.13 -1.85 0.66 132.00 139.21 1x5r h PRO 25 Ca -0.45 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.57 1x5r h PRO 25 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 1x5r h PRO 25 CO 0.59 0.00 -0.91 1.28 -0.23 0.00 0.00 178.00 178.73 1x5r n LEU 26 N -2.46 1.84 0.07 1.56 4.77 -1.26 -4.21 117.00 117.31 1x5r n LEU 26 Ca 0.03 0.53 0.12 0.00 -0.03 0.00 0.00 56.01 56.66 1x5r n LEU 26 Cb 0.35 -0.90 0.46 0.00 -2.33 0.00 0.00 43.42 41.01 1x5r n LEU 26 CO 0.26 -0.14 0.87 -0.24 -1.33 0.00 0.00 177.39 176.82 1x5r n SER 27 N -4.52 0.47 0.00 -1.43 2.88 -1.24 -4.96 113.62 104.81 1x5r n SER 27 Ca -0.19 0.57 0.00 0.00 -1.33 0.00 0.00 58.87 57.92 1x5r n SER 27 Cb 0.46 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 63.23 1x5r n SER 27 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5r n GLY 28 N 0.85 3.63 0.00 0.46 0.00 0.23 -4.65 105.19 105.71 1x5r n GLY 28 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1x5r n GLY 28 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1x5r n PHE 29 N 13.87 0.00 0.00 1.61 3.72 -1.26 -2.84 117.46 132.56 1x5r n PHE 29 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1x5r n PHE 29 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1x5r n PHE 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1x5r n GLY 30 N 3.91 -0.72 3.58 1.37 0.00 -1.26 -4.01 105.19 108.06 1x5r n GLY 30 Ca 0.00 0.18 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 1x5r n GLY 30 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1x5r s LEU 31 N 0.00 -0.57 -0.06 0.99 0.05 -1.26 -2.42 118.68 115.41 1x5r s LEU 31 Ca 0.00 0.84 0.05 0.00 0.05 0.00 0.00 54.13 55.08 1x5r s LEU 31 Cb 0.00 2.22 -0.01 0.00 -2.05 0.00 0.00 46.19 46.35 1x5r s LEU 31 CO 0.00 -0.36 -0.23 -1.10 -0.55 0.00 0.00 176.35 174.11 1x5r s GLN 32 N -0.50 2.44 0.26 1.48 -1.52 0.34 -4.95 119.66 117.21 1x5r s GLN 32 Ca -0.03 -0.82 -0.06 0.00 -1.95 0.00 0.00 55.36 52.51 1x5r s GLN 32 Cb -0.02 -2.02 -0.06 0.00 -0.22 0.00 0.00 33.01 30.69 1x5r s GLN 32 CO 0.02 0.30 0.53 -0.51 -0.25 0.00 0.00 175.29 175.39 1x5r s LEU 33 N 0.01 4.10 -0.10 2.90 1.43 -1.26 0.52 118.68 126.27 1x5r s LEU 33 Ca -0.07 0.73 0.01 0.00 -1.03 0.00 0.00 54.13 53.76 1x5r s LEU 33 Cb -0.14 -3.53 0.02 0.00 0.03 0.00 0.00 46.19 42.57 1x5r s LEU 33 CO 0.04 -0.15 -0.10 -1.58 0.23 0.00 0.00 176.35 174.79 1x5r s GLN 34 N -3.35 1.73 0.00 1.70 0.74 0.51 -4.29 119.66 116.69 1x5r s GLN 34 Ca 0.44 -0.36 0.00 0.00 0.05 0.00 0.00 55.36 55.49 1x5r s GLN 34 Cb -0.11 -1.62 0.00 0.00 1.10 0.00 0.00 33.01 32.38 1x5r s GLN 34 CO 0.28 -0.16 0.00 0.41 -0.55 0.00 0.00 175.29 175.27 1x5r n GLY 35 N 4.54 3.00 3.29 2.59 0.00 -1.26 -0.49 105.19 116.86 1x5r n GLY 35 Ca -0.17 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 44.98 1x5r n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x5r n GLY 36 N 0.00 -2.82 0.09 -0.02 0.00 -1.26 -4.91 105.19 96.27 1x5r n GLY 36 Ca 0.00 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 1x5r n GLY 36 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1x5r h ILE 37 N -1.05 1.40 -4.16 -0.61 5.03 -2.01 -3.44 117.51 112.66 1x5r h ILE 37 Ca -0.44 -1.32 -0.47 0.00 -0.12 0.00 0.00 64.86 62.51 1x5r h ILE 37 Cb 1.31 2.14 0.02 0.00 -3.03 0.00 0.00 36.82 37.26 1x5r h ILE 37 CO 0.33 0.36 0.37 -0.36 -0.68 0.00 0.00 178.15 178.17 1x5r s PHE 38 N -4.11 3.35 -0.20 1.37 0.40 -1.26 -5.01 117.98 112.52 1x5r s PHE 38 Ca -0.15 1.50 -0.18 0.00 -0.60 0.00 0.00 56.93 57.50 1x5r s PHE 38 Cb 0.03 -2.84 -0.14 0.00 0.51 0.00 0.00 43.02 40.58 1x5r s PHE 38 CO 0.71 -0.43 0.01 0.00 0.70 0.00 0.00 175.22 176.22 1x5r n ALA 39 N -1.43 0.78 -1.78 5.36 0.00 -1.26 -4.62 120.51 117.56 1x5r n ALA 39 Ca 0.07 -0.59 -0.30 0.00 0.00 0.00 0.00 53.44 52.63 1x5r n ALA 39 Cb 0.54 -0.30 -0.07 0.00 0.00 0.00 0.00 19.45 19.62 1x5r n ALA 39 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1x5r n THR 40 N -4.44 1.60 -3.65 0.00 -2.24 -1.26 -3.52 114.28 100.76 1x5r n THR 40 Ca -0.30 -1.61 -0.01 0.00 -2.27 0.00 0.00 64.05 59.86 1x5r n THR 40 Cb 0.62 -2.17 -0.07 0.00 -2.10 0.00 0.00 70.33 66.61 1x5r n THR 40 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1x5r s GLU 41 N 6.48 0.04 1.01 -0.78 -1.05 -1.26 -5.07 118.70 118.07 1x5r s GLU 41 Ca 0.68 0.06 -0.11 0.00 -0.15 0.00 0.00 54.97 55.45 1x5r s GLU 41 Cb 0.02 0.02 0.20 0.00 -0.44 0.00 0.00 34.13 33.93 1x5r s GLU 41 CO 0.15 -0.01 1.08 2.41 0.95 0.00 0.00 175.26 179.85 1x5r n THR 42 N 2.00 0.00 -3.90 1.83 -1.04 -1.26 -2.72 114.28 109.19 1x5r n THR 42 Ca -0.12 -0.16 -0.35 0.00 -2.04 0.00 0.00 64.05 61.37 1x5r n THR 42 Cb 0.57 -0.99 -0.14 0.00 -1.82 0.00 0.00 70.33 67.95 1x5r n THR 42 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1x5r s LEU 43 N -6.72 3.03 0.32 -4.42 1.43 0.27 -4.73 118.68 107.87 1x5r s LEU 43 Ca 0.67 -0.49 0.17 0.00 -1.03 0.00 0.00 54.13 53.46 1x5r s LEU 43 Cb -0.24 -1.74 0.25 0.00 0.03 0.00 0.00 46.19 44.48 1x5r s LEU 43 CO 0.61 -0.05 1.53 0.28 0.23 0.00 0.00 176.35 178.95 1x5r h SER 44 N 8.11 0.00 -4.41 2.29 0.02 -1.88 -3.38 113.55 114.30 1x5r h SER 44 Ca -0.39 0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.27 1x5r h SER 44 Cb 1.15 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.54 1x5r h SER 44 CO 0.60 0.41 -0.67 -0.94 -1.14 0.00 0.00 176.83 175.08 1x5r s SER 45 N -6.40 1.31 0.24 3.07 1.04 -1.26 -4.95 113.70 106.76 1x5r s SER 45 Ca 0.04 -1.13 -0.30 0.00 0.48 0.00 0.00 55.95 55.04 1x5r s SER 45 Cb 0.08 0.09 -0.09 0.00 0.10 0.00 0.00 66.02 66.20 1x5r s SER 45 CO 0.72 -0.52 1.09 -2.16 0.98 0.00 0.00 173.24 173.35 1x5r s PRO 46 N -3.88 4.63 0.40 4.02 0.04 -1.26 -4.64 135.00 134.31 1x5r s PRO 46 Ca 0.22 1.76 -0.24 0.00 0.04 0.00 0.00 61.00 62.77 1x5r s PRO 46 Cb 0.05 -3.23 -0.09 0.00 0.04 0.00 0.00 34.50 31.28 1x5r s PRO 46 CO 0.03 0.18 1.06 -1.25 0.04 0.00 0.00 177.00 177.05 1x5r s PRO 47 N -1.03 4.17 0.40 0.56 0.04 -1.26 -4.70 135.00 133.19 1x5r s PRO 47 Ca 0.46 1.53 0.04 0.00 0.04 0.00 0.00 61.00 63.08 1x5r s PRO 47 Cb -0.31 -2.56 -0.00 0.00 0.04 0.00 0.00 34.50 31.67 1x5r s PRO 47 CO 0.38 -0.14 0.58 -0.51 0.04 0.00 0.00 177.00 177.35 1x5r s LEU 48 N -2.61 3.76 -1.16 -3.56 1.43 0.35 -1.26 118.68 115.64 1x5r s LEU 48 Ca 0.57 -0.04 -0.22 0.00 -1.03 0.00 0.00 54.13 53.41 1x5r s LEU 48 Cb -0.23 -2.89 -0.02 0.00 0.03 0.00 0.00 46.19 43.09 1x5r s LEU 48 CO 0.28 -0.63 1.83 -0.69 0.23 0.00 0.00 176.35 177.37 1x5r s VAL 49 N -2.38 3.73 0.17 -1.59 1.01 -0.98 0.19 120.40 120.55 1x5r s VAL 49 Ca 0.48 -1.11 -0.27 0.00 0.00 0.00 0.00 61.98 61.09 1x5r s VAL 49 Cb -0.10 -4.71 0.02 0.00 0.00 0.00 0.00 36.38 31.59 1x5r s VAL 49 CO 0.34 -1.37 1.55 0.00 0.00 0.00 0.00 175.10 175.62 1x5r s PHE 51 N -5.70 0.31 0.02 0.00 2.19 -1.04 -4.85 117.98 108.90 1x5r s PHE 51 Ca -0.13 -0.67 0.02 0.00 0.33 0.00 0.00 56.93 56.48 1x5r s PHE 51 Cb 0.13 0.14 -0.01 0.00 -1.31 0.00 0.00 43.02 41.96 1x5r s PHE 51 CO 0.65 -0.90 -0.06 0.42 1.83 0.00 0.00 175.22 177.17 1x5r s ILE 52 N -3.98 0.42 0.17 3.12 1.01 -1.26 0.13 121.20 120.80 1x5r s ILE 52 Ca 0.19 -0.67 -0.28 0.00 0.00 0.00 0.00 60.65 59.89 1x5r s ILE 52 Cb 0.01 -0.44 -0.08 0.00 0.01 0.00 0.00 42.46 41.96 1x5r s ILE 52 CO 0.05 -0.18 0.87 -1.61 0.00 0.00 0.00 174.94 174.07 1x5r s GLU 53 N -0.91 4.70 0.09 2.79 2.02 -1.02 -4.94 118.70 121.43 1x5r s GLU 53 Ca -0.05 1.33 -0.30 0.00 0.02 0.00 0.00 54.97 55.97 1x5r s GLU 53 Cb -0.06 -3.30 -0.06 0.00 0.10 0.00 0.00 34.13 30.80 1x5r s GLU 53 CO 0.00 0.45 1.15 -1.25 0.02 0.00 0.00 175.26 175.63 1x5r s PRO 54 N -0.80 4.49 -0.19 0.39 0.04 -1.26 -2.46 135.00 135.21 1x5r s PRO 54 Ca 0.40 1.73 0.00 0.00 0.04 0.00 0.00 61.00 63.17 1x5r s PRO 54 Cb -0.24 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 30.97 1x5r s PRO 54 CO 0.29 -0.14 0.00 -3.47 0.04 0.00 0.00 177.00 173.71 1x5r n ASP 55 N 3.45 -4.34 -4.25 6.66 2.03 -1.26 -4.99 116.55 113.84 1x5r n ASP 55 Ca 0.07 0.04 -0.28 0.00 0.52 0.00 0.00 54.79 55.14 1x5r n ASP 55 Cb 0.47 -2.00 0.17 0.00 -0.72 0.00 0.00 41.12 39.04 1x5r n ASP 55 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1x5r s SER 56 N -2.16 3.39 0.09 1.67 1.04 -1.03 -4.89 113.70 111.80 1x5r s SER 56 Ca 0.00 0.11 -0.13 0.00 0.48 0.00 0.00 55.95 56.41 1x5r s SER 56 Cb 0.00 -0.23 -0.20 0.00 0.10 0.00 0.00 66.02 65.69 1x5r s SER 56 CO 0.00 -2.54 1.23 1.55 0.98 0.00 0.00 173.24 174.46 1x5r h PRO 57 N -1.39 0.74 0.00 4.02 0.13 -1.84 -0.95 132.00 132.70 1x5r h PRO 57 Ca -0.42 -0.72 -0.03 0.00 -0.87 0.00 0.00 66.00 63.95 1x5r h PRO 57 Cb 1.24 0.19 -0.00 0.00 0.13 0.00 0.00 31.00 32.55 1x5r h PRO 57 CO 0.38 1.30 -0.16 0.00 -0.23 0.00 0.00 178.00 179.30 1x5r h ALA 58 N 0.46 1.61 0.19 -0.56 0.00 -1.84 -2.22 119.26 116.90 1x5r h ALA 58 Ca -0.10 -0.15 -0.32 0.00 0.00 0.00 0.00 54.91 54.34 1x5r h ALA 58 Cb 1.60 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 19.38 1x5r h ALA 58 CO 0.19 0.20 -1.49 1.49 0.00 0.00 0.00 179.25 179.64 1x5r h GLU 59 N 0.00 0.40 -0.54 0.00 4.57 -1.73 -3.27 114.58 114.01 1x5r h GLU 59 Ca -0.00 -0.68 0.16 0.00 -1.18 0.00 0.00 59.36 57.65 1x5r h GLU 59 Cb 0.31 0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 29.13 1x5r h GLU 59 CO 0.02 1.31 0.40 0.00 -1.18 0.00 0.00 179.01 179.56 1x5r h ARG 60 N 0.11 0.00 0.00 1.92 3.08 -0.56 0.83 114.38 119.76 1x5r h ARG 60 Ca -0.25 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.77 1x5r h ARG 60 Cb 2.09 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 32.13 1x5r h ARG 60 CO 0.22 0.00 -0.15 0.00 -1.07 0.00 0.00 179.97 178.98 1x5r n GLY 62 N -1.01 0.60 0.43 0.00 0.00 0.29 -4.30 105.19 101.20 1x5r n GLY 62 Ca -0.02 -0.01 0.32 0.00 0.00 0.00 0.00 46.02 46.30 1x5r n GLY 62 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1x5r h LEU 63 N 0.00 0.32 -9.90 0.99 5.85 -1.87 -3.38 115.31 107.33 1x5r h LEU 63 Ca 0.00 0.13 -0.48 0.00 0.84 0.00 0.00 57.88 58.37 1x5r h LEU 63 Cb 0.00 0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.13 1x5r h LEU 63 CO 0.00 -0.12 0.39 -0.22 -0.34 0.00 0.00 178.44 178.15 1x5r s LEU 64 N -9.63 4.31 -0.02 2.25 2.96 -1.26 -5.03 118.68 112.26 1x5r s LEU 64 Ca -0.08 1.99 -0.30 0.00 -0.22 0.00 0.00 54.13 55.52 1x5r s LEU 64 Cb 0.29 -4.00 0.11 0.00 0.50 0.00 0.00 46.19 43.09 1x5r s LEU 64 CO 0.81 -0.23 1.07 0.00 -1.32 0.00 0.00 176.35 176.68 1x5r s GLN 65 N -2.08 0.69 0.20 1.98 -2.07 -1.26 -4.88 119.66 112.24 1x5r s GLN 65 Ca 0.52 -0.32 -0.32 0.00 -1.82 0.00 0.00 55.36 53.41 1x5r s GLN 65 Cb -0.23 0.27 -0.13 0.00 -1.09 0.00 0.00 33.01 31.84 1x5r s GLN 65 CO 0.28 -0.31 1.54 0.28 -1.32 0.00 0.00 175.29 175.77 1x5r n VAL 66 N -0.31 0.40 0.00 3.63 0.31 -1.26 -1.82 118.33 119.27 1x5r n VAL 66 Ca -0.06 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1x5r n VAL 66 Cb 0.61 -1.60 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 1x5r n VAL 66 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1x5r n GLY 67 N 2.95 2.54 3.13 2.92 0.00 -1.22 -4.94 105.19 110.57 1x5r n GLY 67 Ca 0.14 -0.68 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 1x5r n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x5r n ASP 68 N 0.28 -2.66 -4.38 1.61 9.92 -0.76 -4.54 116.55 116.02 1x5r n ASP 68 Ca 0.00 -0.10 -0.23 0.00 -0.53 0.00 0.00 54.79 53.93 1x5r n ASP 68 Cb 0.00 -0.74 -0.11 0.00 -0.64 0.00 0.00 41.12 39.63 1x5r n ASP 68 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1x5r s ARG 69 N -2.81 1.41 -0.42 -1.24 3.00 -1.26 -2.33 118.95 115.30 1x5r s ARG 69 Ca 0.45 -1.52 0.02 0.00 0.00 0.00 0.00 55.73 54.68 1x5r s ARG 69 Cb -0.01 -1.51 0.12 0.00 0.00 0.00 0.00 34.95 33.55 1x5r s ARG 69 CO 0.62 0.30 0.19 0.08 0.00 0.00 0.00 175.30 176.49 1x5r s VAL 70 N -2.13 1.73 0.03 3.52 1.01 -0.38 -3.94 120.40 120.23 1x5r s VAL 70 Ca 0.20 -2.49 -0.24 0.00 0.00 0.00 0.00 61.98 59.44 1x5r s VAL 70 Cb -0.06 -2.23 -0.13 0.00 0.00 0.00 0.00 36.38 33.96 1x5r s VAL 70 CO 0.09 -0.79 1.23 -0.07 0.00 0.00 0.00 175.10 175.56 1x5r h LEU 71 N 7.06 -0.74 -8.86 3.92 3.38 0.26 -3.35 115.31 116.97 1x5r h LEU 71 Ca -0.05 0.03 -0.34 0.00 0.09 0.00 0.00 57.88 57.60 1x5r h LEU 71 Cb 0.95 0.19 -0.14 0.00 0.09 0.00 0.00 40.66 41.75 1x5r h LEU 71 CO 0.54 -0.48 -0.62 -0.94 0.09 0.00 0.00 178.44 177.02 1x5r s SER 72 N -3.67 1.22 -0.18 -0.43 1.04 -1.24 -0.01 113.70 110.43 1x5r s SER 72 Ca -0.13 -1.35 -0.02 0.00 0.48 0.00 0.00 55.95 54.93 1x5r s SER 72 Cb 0.01 0.15 0.05 0.00 0.10 0.00 0.00 66.02 66.34 1x5r s SER 72 CO 0.38 -0.70 0.02 -0.63 0.98 0.00 0.00 173.24 173.29 1x5r s ILE 73 N -3.73 0.61 -0.25 -1.02 1.01 0.41 -1.63 121.20 116.59 1x5r s ILE 73 Ca 0.36 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.49 1x5r s ILE 73 Cb 0.08 -1.04 0.00 0.00 0.01 0.00 0.00 42.46 41.51 1x5r s ILE 73 CO 0.12 -0.12 0.00 0.59 0.00 0.00 0.00 174.94 175.53 1x5r n ASN 74 N 5.03 -4.64 0.00 3.58 4.13 0.51 -1.22 115.26 122.65 1x5r n ASN 74 Ca -0.09 0.06 0.00 0.00 1.68 0.00 0.00 54.58 56.23 1x5r n ASN 74 Cb 0.47 -2.35 0.00 0.00 -1.54 0.00 0.00 39.78 36.36 1x5r n ASN 74 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1x5r n GLY 75 N -0.90 0.70 3.56 7.41 0.00 -1.26 -4.99 105.19 109.70 1x5r n GLY 75 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 1x5r n GLY 75 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x5r s ILE 76 N -2.00 5.17 0.28 -0.61 -1.09 -0.36 -5.01 121.20 117.58 1x5r s ILE 76 Ca 0.00 0.19 -0.29 0.00 -2.23 0.00 0.00 60.65 58.31 1x5r s ILE 76 Cb 0.00 -3.78 -0.10 0.00 -1.58 0.00 0.00 42.46 37.00 1x5r s ILE 76 CO 0.00 -0.02 1.39 0.00 -1.23 0.00 0.00 174.94 175.09 1x5r s ALA 77 N 2.03 3.58 0.01 9.38 0.00 -1.26 0.15 121.76 135.65 1x5r s ALA 77 Ca 0.12 1.31 0.11 0.00 0.00 0.00 0.00 51.96 53.50 1x5r s ALA 77 Cb -0.16 -3.53 -0.15 0.00 0.00 0.00 0.00 23.12 19.27 1x5r s ALA 77 CO 0.11 -0.72 1.15 1.79 0.00 0.00 0.00 175.76 178.09 1x5r h THR 78 N 3.35 1.27 0.00 0.00 1.35 -0.68 -3.21 112.91 114.99 1x5r h THR 78 Ca -0.47 -2.92 0.00 0.00 -0.55 0.00 0.00 66.41 62.47 1x5r h THR 78 Cb 1.22 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 70.25 1x5r h THR 78 CO 0.73 0.72 0.00 -0.33 -0.25 0.00 0.00 175.52 176.39 1x5r h GLU 79 N 0.00 0.00 -0.85 4.72 5.08 -1.73 -2.71 114.58 119.09 1x5r h GLU 79 Ca -0.08 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.79 1x5r h GLU 79 Cb 1.73 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.71 1x5r h GLU 79 CO 0.10 0.00 0.46 -0.25 -1.00 0.00 0.00 179.01 178.32 1x5r n ASP 80 N -2.92 4.50 -1.45 1.42 8.00 -1.21 -4.30 116.55 120.59 1x5r n ASP 80 Ca 0.02 -3.70 -0.02 0.00 0.71 0.00 0.00 54.79 51.79 1x5r n ASP 80 Cb 0.35 -0.80 0.00 0.00 -0.02 0.00 0.00 41.12 40.66 1x5r n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x5r n GLY 81 N -1.06 1.93 3.70 0.44 0.00 -1.02 -4.93 105.19 104.25 1x5r n GLY 81 Ca 0.54 -1.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 1x5r n GLY 81 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1x5r s THR 82 N -2.74 4.05 0.15 2.61 -4.23 -1.26 0.97 115.64 115.21 1x5r s THR 82 Ca 0.04 -1.05 -0.24 0.00 -1.18 0.00 0.00 61.69 59.26 1x5r s THR 82 Cb -0.01 -2.96 0.00 0.00 1.34 0.00 0.00 72.50 70.87 1x5r s THR 82 CO 0.03 0.06 1.35 0.80 -0.54 0.00 0.00 174.62 176.33 1x5r n MET 83 N 0.36 -0.34 -0.09 3.99 1.56 -1.10 -0.04 117.12 121.45 1x5r n MET 83 Ca -0.10 1.33 -0.11 0.00 -0.27 0.00 0.00 57.70 58.55 1x5r n MET 83 Cb 0.53 -1.96 -0.06 0.00 2.15 0.00 0.00 33.22 33.88 1x5r n MET 83 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 1x5r h GLU 84 N 0.00 -0.37 -0.85 2.12 4.81 -1.87 0.43 114.58 118.86 1x5r h GLU 84 Ca 0.18 0.02 0.20 0.00 -0.13 0.00 0.00 59.36 59.63 1x5r h GLU 84 Cb 0.40 0.08 -0.15 0.00 0.63 0.00 0.00 28.75 29.71 1x5r h GLU 84 CO -0.83 -0.24 -0.06 0.93 -0.73 0.00 0.00 179.01 178.07 1x5r h GLU 85 N -0.38 0.04 -0.14 1.92 4.39 -0.78 1.50 114.58 121.13 1x5r h GLU 85 Ca 0.12 -0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.85 1x5r h GLU 85 Cb 0.60 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.20 1x5r h GLU 85 CO -0.53 0.03 -0.10 0.00 -1.16 0.00 0.00 179.01 177.25 1x5r h ALA 86 N 1.83 0.02 -0.29 3.43 0.00 0.27 1.47 119.26 125.97 1x5r h ALA 86 Ca 0.46 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 1x5r h ALA 86 Cb 0.81 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 1x5r h ALA 86 CO -0.80 -0.54 0.13 -0.91 0.00 0.00 0.00 179.25 177.12 1x5r h ASN 87 N -0.10 0.39 -0.99 0.00 2.35 0.11 -2.48 115.58 114.86 1x5r h ASN 87 Ca 0.09 -0.14 0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1x5r h ASN 87 Cb 0.23 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.45 1x5r h ASN 87 CO -0.21 0.43 0.66 -0.61 -1.65 0.00 0.00 177.43 176.05 1x5r h GLN 88 N 0.33 1.31 -0.26 0.81 5.75 0.25 -0.02 115.11 123.29 1x5r h GLN 88 Ca 0.10 -0.08 0.07 0.00 -0.15 0.00 0.00 58.65 58.59 1x5r h GLN 88 Cb 0.15 -0.30 -0.01 0.00 1.07 0.00 0.00 27.48 28.39 1x5r h GLN 88 CO -0.01 0.87 0.20 -0.07 -2.65 0.00 0.00 178.83 177.17 1x5r h LEU 89 N 1.35 0.00 -0.20 -2.39 3.38 0.25 0.44 115.31 118.14 1x5r h LEU 89 Ca 0.36 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.16 1x5r h LEU 89 Cb -0.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1x5r h LEU 89 CO -0.08 0.00 -0.82 -0.07 0.09 0.00 0.00 178.44 177.56 1x5r h LEU 90 N 0.00 0.00 0.51 1.67 3.38 -0.66 -2.87 115.31 117.33 1x5r h LEU 90 Ca 0.12 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1x5r h LEU 90 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1x5r h LEU 90 CO -0.00 0.82 -0.24 -0.09 0.09 0.00 0.00 178.44 179.02 1x5r h ARG 91 N 0.00 -0.65 -1.01 1.13 2.43 0.38 -1.18 114.38 115.48 1x5r h ARG 91 Ca -0.01 0.04 0.17 0.00 -0.81 0.00 0.00 59.98 59.37 1x5r h ARG 91 Cb 1.54 0.15 -0.10 0.00 -0.42 0.00 0.00 29.97 31.14 1x5r h ARG 91 CO 0.11 -0.36 0.62 0.22 -1.51 0.00 0.00 179.97 179.04 1x5r h ASP 92 N -1.07 0.83 -0.55 -3.80 3.58 -1.34 0.22 116.42 114.30 1x5r h ASP 92 Ca -0.07 0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.46 1x5r h ASP 92 Cb 0.59 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.54 1x5r h ASP 92 CO 0.11 0.35 0.33 0.00 -2.88 0.00 0.00 179.24 177.15 1x5r h ALA 93 N 1.61 0.70 -0.76 -0.78 0.00 -1.44 -1.99 119.26 116.59 1x5r h ALA 93 Ca 0.55 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.47 1x5r h ALA 93 Cb 0.77 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1x5r h ALA 93 CO -0.34 0.18 0.43 0.00 0.00 0.00 0.00 179.25 179.51 1x5r h ALA 94 N 1.16 1.06 0.00 0.00 0.00 0.69 0.68 119.26 122.84 1x5r h ALA 94 Ca 0.20 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1x5r h ALA 94 Cb -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1x5r h ALA 94 CO -0.04 0.07 0.00 -0.07 0.00 0.00 0.00 179.25 179.22 1x5r h LEU 95 N 0.74 0.00 0.00 0.00 3.38 -0.52 0.58 115.31 119.50 1x5r h LEU 95 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1x5r h LEU 95 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1x5r h LEU 95 CO -0.23 0.00 -0.94 0.00 0.09 0.00 0.00 178.44 177.36 1x5r n ALA 96 N -1.87 3.47 -0.97 1.53 0.00 0.23 -4.93 120.51 117.97 1x5r n ALA 96 Ca -0.01 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.03 1x5r n ALA 96 Cb 0.07 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.53 1x5r n ALA 96 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1x5r n HIS 97 N -1.89 0.00 -3.68 0.00 8.25 0.20 -4.96 115.22 113.15 1x5r n HIS 97 Ca 0.03 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.34 1x5r n HIS 97 Cb 0.42 -0.55 -0.08 0.00 1.12 0.00 0.00 29.99 30.90 1x5r n HIS 97 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1x5r s LYS 98 N -0.52 0.78 0.06 -0.41 2.20 -1.13 -3.20 119.74 117.52 1x5r s LYS 98 Ca 0.00 0.05 -0.13 0.00 -0.36 0.00 0.00 55.97 55.53 1x5r s LYS 98 Cb 0.00 0.36 0.02 0.00 -1.51 0.00 0.00 37.83 36.70 1x5r s LYS 98 CO 0.00 -0.22 0.30 0.54 -0.36 0.00 0.00 175.35 175.61 1x5r s VAL 99 N -1.10 0.09 -0.07 4.02 0.11 -0.25 -4.38 120.40 118.82 1x5r s VAL 99 Ca -0.11 -0.74 -0.00 0.00 -2.93 0.00 0.00 61.98 58.19 1x5r s VAL 99 Cb -0.03 -1.03 0.02 0.00 -1.53 0.00 0.00 36.38 33.81 1x5r s VAL 99 CO 0.06 -0.41 -0.05 -0.69 -3.33 0.00 0.00 175.10 170.68 1x5r s VAL 100 N -2.91 0.68 0.09 2.04 1.01 -1.26 -1.80 120.40 118.25 1x5r s VAL 100 Ca -0.02 -0.12 0.08 0.00 0.00 0.00 0.00 61.98 61.91 1x5r s VAL 100 Cb 0.00 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 1x5r s VAL 100 CO -0.06 0.29 -0.15 -0.76 0.00 0.00 0.00 175.10 174.43 1x5r s LEU 101 N 1.47 2.82 -0.20 3.92 2.01 -0.69 0.19 118.68 128.19 1x5r s LEU 101 Ca -0.02 -0.46 0.01 0.00 0.01 0.00 0.00 54.13 53.68 1x5r s LEU 101 Cb -0.13 -1.65 0.03 0.00 0.01 0.00 0.00 46.19 44.45 1x5r s LEU 101 CO -0.04 0.20 -0.17 -0.70 1.01 0.00 0.00 176.35 176.65 1x5r s GLU 102 N -2.01 2.79 0.11 1.70 2.12 -0.64 -1.39 118.70 121.37 1x5r s GLU 102 Ca 0.18 -0.97 0.02 0.00 0.36 0.00 0.00 54.97 54.57 1x5r s GLU 102 Cb -0.11 -2.68 -0.04 0.00 0.26 0.00 0.00 34.13 31.57 1x5r s GLU 102 CO 0.10 -0.31 0.19 0.08 -0.54 0.00 0.00 175.26 174.78 1x5r s VAL 103 N 1.24 5.04 0.02 3.70 1.01 -0.99 0.95 120.40 131.38 1x5r s VAL 103 Ca 0.01 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.36 1x5r s VAL 103 Cb -0.15 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 1x5r s VAL 103 CO -0.10 0.03 -0.05 -0.70 0.00 0.00 0.00 175.10 174.27 1x5r s GLU 104 N -2.80 2.55 0.00 2.72 2.12 -1.26 -2.77 118.70 119.26 1x5r s GLU 104 Ca 0.33 -0.75 0.00 0.00 0.36 0.00 0.00 54.97 54.91 1x5r s GLU 104 Cb -0.12 -2.51 0.00 0.00 0.26 0.00 0.00 34.13 31.76 1x5r s GLU 104 CO 0.26 0.59 0.00 1.97 -0.54 0.00 0.00 175.26 177.54 1x5r n PHE 105 N 1.35 0.00 -3.48 5.30 1.16 -1.10 -4.68 117.46 116.01 1x5r n PHE 105 Ca -0.15 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.01 1x5r n PHE 105 Cb 0.52 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.33 1x5r n PHE 105 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1x5r s ASP 106 N 0.00 6.04 -0.65 5.98 1.01 -1.26 -0.60 116.67 127.19 1x5r s ASP 106 Ca 0.00 -2.42 -0.28 0.00 0.71 0.00 0.00 52.55 50.57 1x5r s ASP 106 Cb 0.00 -2.07 -0.12 0.00 1.01 0.00 0.00 42.92 41.74 1x5r s ASP 106 CO 0.00 -0.59 2.51 -0.24 0.21 0.00 0.00 175.17 177.06 1x5r n SER 107 N 4.26 1.69 0.00 0.27 2.88 -1.26 -4.69 113.62 116.77 1x5r n SER 107 Ca 0.03 -0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.28 1x5r n SER 107 Cb 0.42 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 1x5r n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5r n GLY 108 N 6.17 1.17 3.30 0.46 0.00 -1.26 -5.04 105.19 109.99 1x5r n GLY 108 Ca 0.46 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 1x5r n GLY 108 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5r n PRO 109 N 0.00 2.30 -2.88 1.61 -0.04 -1.26 -4.87 135.00 129.86 1x5r n PRO 109 Ca 0.00 -2.59 -0.44 0.00 -0.04 0.00 0.00 63.50 60.43 1x5r n PRO 109 Cb 0.00 -3.39 -0.02 0.00 -0.04 0.00 0.00 33.50 30.05 1x5r n PRO 109 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x5r s SER 110 N 4.83 6.76 0.57 3.54 0.01 -1.26 -5.00 113.70 123.14 1x5r s SER 110 Ca 0.57 -2.29 -0.15 0.00 1.31 0.00 0.00 55.95 55.39 1x5r s SER 110 Cb 0.07 -2.43 -0.05 0.00 0.21 0.00 0.00 66.02 63.82 1x5r s SER 110 CO 0.07 -1.02 1.03 -0.44 0.41 0.00 0.00 173.24 173.29 1x5r s SER 111 N 3.57 6.14 0.00 2.44 0.01 -1.26 -5.23 113.70 119.37 1x5r s SER 111 Ca 0.38 1.67 0.00 0.00 1.31 0.00 0.00 55.95 59.31 1x5r s SER 111 Cb -0.03 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1x5r s SER 111 CO -0.06 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.28