#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5r n SER 2 N 0.00 -3.46 -4.40 1.61 3.41 -1.26 -5.13 113.62 104.39 1x5r n SER 2 Ca 0.00 0.78 -0.43 0.00 -0.26 0.00 0.00 58.87 58.96 1x5r n SER 2 Cb 0.00 3.27 -0.00 0.00 -0.26 0.00 0.00 64.21 67.22 1x5r n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x5r n SER 3 N -3.36 -1.44 0.00 4.04 2.88 -1.26 -4.69 113.62 109.79 1x5r n SER 3 Ca 0.00 0.93 0.00 0.00 -1.33 0.00 0.00 58.87 58.47 1x5r n SER 3 Cb 0.00 -1.03 0.00 0.00 -0.75 0.00 0.00 64.21 62.43 1x5r n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5r n GLY 4 N 1.96 0.02 3.32 0.46 0.00 -1.26 -5.07 105.19 104.62 1x5r n GLY 4 Ca 0.12 -1.80 -0.17 0.00 0.00 0.00 0.00 46.02 44.17 1x5r n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5r s SER 5 N -1.97 1.71 -0.17 1.61 0.01 -1.26 -5.14 113.70 108.48 1x5r s SER 5 Ca 0.00 -1.24 -0.04 0.00 1.31 0.00 0.00 55.95 55.98 1x5r s SER 5 Cb 0.00 0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.24 1x5r s SER 5 CO 0.00 -0.54 -0.02 -0.55 0.41 0.00 0.00 173.24 172.54 1x5r s SER 6 N -3.30 4.87 0.00 2.44 0.15 -1.26 -5.02 113.70 111.59 1x5r s SER 6 Ca 0.29 -0.14 0.00 0.00 0.70 0.00 0.00 55.95 56.80 1x5r s SER 6 Cb 0.06 -1.81 0.00 0.00 -1.71 0.00 0.00 66.02 62.56 1x5r s SER 6 CO 0.09 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.27 1x5r n GLY 7 N 3.77 2.69 0.00 9.45 0.00 -1.26 -5.16 105.19 114.68 1x5r n GLY 7 Ca -0.17 -2.06 0.00 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.21 -0.89 2.06 -0.02 0.00 -1.26 -5.14 105.19 98.72 1x5r n GLY 8 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -5.38 2.83 -0.02 0.00 -1.26 -5.05 105.19 96.31 1x5r n GLY 9 Ca 0.00 -0.22 -0.15 0.00 0.00 0.00 0.00 46.02 45.64 1x5r n GLY 9 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1x5r s GLN 10 N -0.70 0.13 0.25 1.61 0.00 -1.26 -5.06 119.66 114.64 1x5r s GLN 10 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 55.36 55.43 1x5r s GLN 10 Cb 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 33.01 32.72 1x5r s GLN 10 CO 0.00 -0.09 0.00 -0.89 0.00 0.00 0.00 175.29 174.31 1x5r n ILE 11 N 3.81 -6.44 -2.46 3.63 -0.00 -1.26 -4.94 119.36 111.70 1x5r n ILE 11 Ca -0.23 2.17 -0.02 0.00 -0.00 0.00 0.00 62.75 64.67 1x5r n ILE 11 Cb 0.53 -3.40 -0.02 0.00 -0.00 0.00 0.00 39.64 36.75 1x5r n ILE 11 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07 1x5r n VAL 12 N 0.62-12.70 -3.15 1.39 0.31 -1.26 -5.07 118.33 98.47 1x5r n VAL 12 Ca 0.00 2.90 0.06 0.00 -0.01 0.00 0.00 64.34 67.29 1x5r n VAL 12 Cb 0.00 -6.09 -0.01 0.00 -0.91 0.00 0.00 33.84 26.83 1x5r n VAL 12 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1x5r s HIS 13 N -0.60 -0.41 0.87 3.52 5.04 -1.26 -5.10 115.29 117.35 1x5r s HIS 13 Ca -0.11 0.36 -0.15 0.00 -1.54 0.00 0.00 55.06 53.62 1x5r s HIS 13 Cb 0.01 0.12 -0.03 0.00 0.04 0.00 0.00 32.58 32.71 1x5r s HIS 13 CO 0.30 -0.23 0.18 2.41 -2.34 0.00 0.00 174.74 175.07 1x5r n THR 14 N 5.35 0.54 -3.91 0.89 -1.04 -1.26 -4.97 114.28 109.88 1x5r n THR 14 Ca -0.02 -0.33 -0.33 0.00 -2.04 0.00 0.00 64.05 61.33 1x5r n THR 14 Cb 0.55 -0.51 -0.05 0.00 -1.82 0.00 0.00 70.33 68.51 1x5r n THR 14 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1x5r s GLU 15 N -2.92 3.43 0.05 -2.82 2.02 -0.74 -5.01 118.70 112.71 1x5r s GLU 15 Ca 0.56 -0.34 0.01 0.00 0.02 0.00 0.00 54.97 55.22 1x5r s GLU 15 Cb -0.26 -3.08 -0.03 0.00 0.10 0.00 0.00 34.13 30.85 1x5r s GLU 15 CO 0.68 0.67 -0.05 0.95 0.02 0.00 0.00 175.26 177.52 1x5r s THR 16 N -1.35 0.38 0.07 3.63 -4.23 -1.26 -1.85 115.64 111.02 1x5r s THR 16 Ca 0.28 -1.49 0.03 0.00 -1.18 0.00 0.00 61.69 59.34 1x5r s THR 16 Cb -0.13 -1.09 -0.03 0.00 1.34 0.00 0.00 72.50 72.59 1x5r s THR 16 CO 0.20 -0.73 -0.10 0.28 -0.54 0.00 0.00 174.62 173.72 1x5r s THR 17 N -2.78 0.84 -0.23 3.99 -1.32 -0.98 -4.97 115.64 110.19 1x5r s THR 17 Ca -0.00 -1.36 -0.02 0.00 -1.21 0.00 0.00 61.69 59.10 1x5r s THR 17 Cb -0.00 -1.03 0.01 0.00 -1.51 0.00 0.00 72.50 69.97 1x5r s THR 17 CO -0.05 -0.42 -0.08 -0.70 -2.21 0.00 0.00 174.62 171.17 1x5r s GLU 18 N -2.11 3.05 -0.16 7.08 2.12 -1.26 -2.44 118.70 124.98 1x5r s GLU 18 Ca -0.02 -0.83 -0.02 0.00 0.36 0.00 0.00 54.97 54.46 1x5r s GLU 18 Cb -0.07 -2.92 -0.02 0.00 0.26 0.00 0.00 34.13 31.38 1x5r s GLU 18 CO 0.01 -0.29 -0.07 0.08 -0.54 0.00 0.00 175.26 174.44 1x5r s VAL 19 N 1.37 3.46 -0.41 3.70 1.01 -0.46 -4.93 120.40 124.14 1x5r s VAL 19 Ca 0.03 -0.50 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 1x5r s VAL 19 Cb -0.15 -2.51 0.07 0.00 0.00 0.00 0.00 36.38 33.80 1x5r s VAL 19 CO -0.06 0.49 0.24 -0.69 0.00 0.00 0.00 175.10 175.08 1x5r s VAL 20 N 0.59 4.16 -0.09 2.92 1.01 -1.26 -0.55 120.40 127.19 1x5r s VAL 20 Ca -0.05 -1.38 -0.06 0.00 0.00 0.00 0.00 61.98 60.50 1x5r s VAL 20 Cb -0.15 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1x5r s VAL 20 CO 0.03 -0.47 0.16 -0.76 0.00 0.00 0.00 175.10 174.06 1x5r s LEU 21 N 1.42 4.39 0.06 3.92 1.43 0.38 -4.91 118.68 125.37 1x5r s LEU 21 Ca 0.03 0.45 0.05 0.00 -1.03 0.00 0.00 54.13 53.63 1x5r s LEU 21 Cb -0.22 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 43.74 1x5r s LEU 21 CO 0.02 0.37 -0.14 0.00 0.23 0.00 0.00 176.35 176.83 1x5r n GLY 23 N 1.51 -0.82 3.91 0.00 0.00 -1.18 -4.64 105.19 103.97 1x5r n GLY 23 Ca -0.20 -1.03 -0.27 0.00 0.00 0.00 0.00 46.02 44.51 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 5.44 0.25 1.61 1.01 -1.20 -4.13 116.67 119.66 1x5r s ASP 24 Ca 0.00 0.79 0.25 0.00 0.71 0.00 0.00 52.55 54.30 1x5r s ASP 24 Cb 0.00 -1.68 0.90 0.00 1.01 0.00 0.00 42.92 43.15 1x5r s ASP 24 CO 0.00 -1.21 1.75 -0.81 0.21 0.00 0.00 175.17 175.11 1x5r n PRO 25 N -2.74 0.24 -0.10 8.23 -0.04 -1.25 0.98 135.00 140.31 1x5r n PRO 25 Ca 0.06 0.33 -0.22 0.00 -0.04 0.00 0.00 63.50 63.62 1x5r n PRO 25 Cb 0.58 -1.86 -0.12 0.00 -0.04 0.00 0.00 33.50 32.07 1x5r n PRO 25 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1x5r n LEU 26 N -2.29 1.92 0.09 1.53 4.77 -1.26 -4.30 117.00 117.47 1x5r n LEU 26 Ca 0.04 0.40 -0.07 0.00 -0.03 0.00 0.00 56.01 56.35 1x5r n LEU 26 Cb 0.33 -0.97 -0.00 0.00 -2.33 0.00 0.00 43.42 40.45 1x5r n LEU 26 CO 0.25 0.34 0.26 -1.28 -1.33 0.00 0.00 177.39 175.64 1x5r h SER 27 N -0.92 0.15 0.00 -1.43 0.87 -1.95 -3.49 113.55 106.78 1x5r h SER 27 Ca -0.38 -0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 1x5r h SER 27 Cb 1.38 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 1x5r h SER 27 CO -0.20 0.94 0.00 0.61 -0.53 0.00 0.00 176.83 177.65 1x5r n GLY 28 N 0.88 1.00 0.10 5.77 0.00 0.27 -3.99 105.19 109.23 1x5r n GLY 28 Ca -0.02 -0.83 0.01 0.00 0.00 0.00 0.00 46.02 45.18 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 8.25 0.00 -3.72 1.61 3.72 -1.26 -3.22 117.46 122.83 1x5r n PHE 29 Ca 0.00 -0.14 -0.27 0.00 -0.05 0.00 0.00 57.45 56.99 1x5r n PHE 29 Cb 0.00 -0.03 0.03 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 -0.17 -0.64 3.23 1.37 0.00 -1.26 -2.37 105.19 105.35 1x5r n GLY 30 Ca 0.01 0.31 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 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 -6.58 0.74 -0.04 0.99 0.05 -1.26 -2.31 118.68 110.26 1x5r s LEU 31 Ca 0.24 0.55 0.05 0.00 0.05 0.00 0.00 54.13 55.02 1x5r s LEU 31 Cb -0.08 1.19 -0.01 0.00 -2.05 0.00 0.00 46.19 45.24 1x5r s LEU 31 CO 0.85 -0.19 -0.19 -1.10 -0.55 0.00 0.00 176.35 175.17 1x5r s GLN 32 N -0.16 1.89 0.27 1.48 -1.52 0.34 -4.98 119.66 116.99 1x5r s GLN 32 Ca -0.03 -0.67 0.02 0.00 -1.95 0.00 0.00 55.36 52.73 1x5r s GLN 32 Cb -0.03 -1.65 -0.03 0.00 -0.22 0.00 0.00 33.01 31.07 1x5r s GLN 32 CO 0.01 0.28 0.45 -0.51 -0.25 0.00 0.00 175.29 175.27 1x5r s LEU 33 N -0.05 4.17 -0.12 2.90 1.43 -1.26 0.08 118.68 125.83 1x5r s LEU 33 Ca -0.03 0.31 -0.03 0.00 -1.03 0.00 0.00 54.13 53.35 1x5r s LEU 33 Cb -0.11 -3.13 0.05 0.00 0.03 0.00 0.00 46.19 43.02 1x5r s LEU 33 CO 0.02 -0.16 0.05 -1.58 0.23 0.00 0.00 176.35 174.92 1x5r s GLN 34 N -3.95 0.26 0.00 1.70 0.74 0.51 -4.20 119.66 114.71 1x5r s GLN 34 Ca 0.38 0.00 0.00 0.00 0.05 0.00 0.00 55.36 55.79 1x5r s GLN 34 Cb -0.10 -1.38 0.00 0.00 1.10 0.00 0.00 33.01 32.63 1x5r s GLN 34 CO 0.32 -0.51 0.00 0.41 -0.55 0.00 0.00 175.29 174.96 1x5r n GLY 35 N 5.21 5.03 3.16 2.59 0.00 -1.26 -0.43 105.19 119.49 1x5r n GLY 35 Ca -0.06 -0.91 -0.25 0.00 0.00 0.00 0.00 46.02 44.79 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 -3.10 0.10 -0.02 0.00 -1.26 -4.97 105.19 95.95 1x5r n GLY 36 Ca 0.00 -1.25 -0.20 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.10 1.18 -3.45 -0.61 1.08 -2.00 -3.44 117.51 107.16 1x5r h ILE 37 Ca -0.36 -2.28 -0.59 0.00 -0.39 0.00 0.00 64.86 61.24 1x5r h ILE 37 Cb 1.10 2.67 -0.09 0.00 -3.07 0.00 0.00 36.82 37.43 1x5r h ILE 37 CO 0.24 0.49 0.64 -0.36 -0.69 0.00 0.00 178.15 178.47 1x5r s PHE 38 N -2.35 3.10 0.30 1.37 0.08 -1.26 -4.91 117.98 114.31 1x5r s PHE 38 Ca -0.24 0.86 0.02 0.00 0.12 0.00 0.00 56.93 57.69 1x5r s PHE 38 Cb 0.03 -3.63 0.75 0.00 -0.57 0.00 0.00 43.02 39.60 1x5r s PHE 38 CO 0.66 -0.80 1.58 0.00 -0.10 0.00 0.00 175.22 176.57 1x5r h ALA 39 N 8.38 1.19 -3.00 5.36 0.00 -1.98 -3.40 119.26 125.82 1x5r h ALA 39 Ca -0.23 0.32 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1x5r h ALA 39 Cb 1.08 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1x5r h ALA 39 CO 0.99 -0.57 0.00 0.25 0.00 0.00 0.00 179.25 179.92 1x5r n THR 40 N -5.44 0.00 -1.27 0.00 -2.24 -1.26 -1.53 114.28 102.54 1x5r n THR 40 Ca 0.23 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 1x5r n THR 40 Cb 0.75 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 1x5r n THR 40 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1x5r n GLU 41 N -1.29 -3.41 -1.00 -0.78 1.02 -1.26 -4.35 120.64 109.57 1x5r n GLU 41 Ca 0.00 2.49 -0.34 0.00 -0.02 0.00 0.00 57.16 59.29 1x5r n GLU 41 Cb 0.00 -2.68 0.10 0.00 -0.02 0.00 0.00 31.44 28.84 1x5r n GLU 41 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1x5r n THR 42 N 0.39 0.83 -3.50 2.62 -1.04 -1.26 -3.95 114.28 108.37 1x5r n THR 42 Ca 0.00 -0.27 -0.41 0.00 -2.04 0.00 0.00 64.05 61.33 1x5r n THR 42 Cb 0.00 -0.70 -0.10 0.00 -1.82 0.00 0.00 70.33 67.70 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 -1.03 4.53 0.30 -4.42 1.43 0.40 -4.82 118.68 115.07 1x5r s LEU 43 Ca 0.61 -0.40 0.14 0.00 -1.03 0.00 0.00 54.13 53.45 1x5r s LEU 43 Cb -0.27 -2.19 0.42 0.00 0.03 0.00 0.00 46.19 44.18 1x5r s LEU 43 CO 0.63 -0.27 1.62 0.77 0.23 0.00 0.00 176.35 179.33 1x5r h SER 44 N 8.49 0.00 -4.44 2.29 4.64 -1.88 -3.39 113.55 119.27 1x5r h SER 44 Ca -0.31 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.73 1x5r h SER 44 Cb 1.15 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.10 1x5r h SER 44 CO 0.65 0.55 -0.68 -0.94 -0.87 0.00 0.00 176.83 175.54 1x5r s SER 45 N -6.65 1.30 0.34 4.97 1.04 -1.26 -5.01 113.70 108.42 1x5r s SER 45 Ca -0.00 -1.11 -0.27 0.00 0.48 0.00 0.00 55.95 55.05 1x5r s SER 45 Cb 0.11 0.09 -0.09 0.00 0.10 0.00 0.00 66.02 66.23 1x5r s SER 45 CO 0.74 -0.51 1.07 -2.16 0.98 0.00 0.00 173.24 173.35 1x5r s PRO 46 N -3.87 4.41 0.44 4.02 0.04 -1.26 -4.78 135.00 134.00 1x5r s PRO 46 Ca 0.20 1.65 -0.22 0.00 0.04 0.00 0.00 61.00 62.67 1x5r s PRO 46 Cb 0.05 -2.87 -0.09 0.00 0.04 0.00 0.00 34.50 31.63 1x5r s PRO 46 CO 0.02 0.05 1.05 -1.25 0.04 0.00 0.00 177.00 176.90 1x5r s PRO 47 N -1.95 3.98 0.38 0.56 0.04 -1.25 -4.70 135.00 132.06 1x5r s PRO 47 Ca 0.51 1.44 0.07 0.00 0.04 0.00 0.00 61.00 63.07 1x5r s PRO 47 Cb -0.27 -2.33 -0.01 0.00 0.04 0.00 0.00 34.50 31.93 1x5r s PRO 47 CO 0.34 -0.29 0.42 -0.51 0.04 0.00 0.00 177.00 177.01 1x5r s LEU 48 N -3.05 3.63 -0.69 -3.56 1.43 0.42 -1.21 118.68 115.65 1x5r s LEU 48 Ca 0.62 -0.49 -0.27 0.00 -1.03 0.00 0.00 54.13 52.97 1x5r s LEU 48 Cb -0.19 -2.39 0.01 0.00 0.03 0.00 0.00 46.19 43.65 1x5r s LEU 48 CO 0.24 -0.56 1.54 -0.69 0.23 0.00 0.00 176.35 177.11 1x5r s VAL 49 N -2.34 3.57 0.08 -1.59 1.01 -1.03 0.19 120.40 120.29 1x5r s VAL 49 Ca 0.47 0.29 -0.28 0.00 0.00 0.00 0.00 61.98 62.47 1x5r s VAL 49 Cb -0.07 -4.50 -0.17 0.00 0.00 0.00 0.00 36.38 31.65 1x5r s VAL 49 CO 0.29 -1.45 1.67 0.00 0.00 0.00 0.00 175.10 175.61 1x5r s PHE 51 N -6.07 0.37 -0.02 0.00 5.36 -1.21 -4.90 117.98 111.52 1x5r s PHE 51 Ca -0.15 -0.73 -0.03 0.00 -0.96 0.00 0.00 56.93 55.06 1x5r s PHE 51 Cb 0.05 0.15 0.00 0.00 -0.34 0.00 0.00 43.02 42.88 1x5r s PHE 51 CO 0.64 -0.95 0.07 0.42 -1.46 0.00 0.00 175.22 173.93 1x5r s ILE 52 N -4.01 0.02 0.32 3.12 1.01 -1.26 -0.51 121.20 119.89 1x5r s ILE 52 Ca 0.22 -0.15 -0.27 0.00 0.00 0.00 0.00 60.65 60.45 1x5r s ILE 52 Cb -0.00 -0.15 -0.10 0.00 0.01 0.00 0.00 42.46 42.22 1x5r s ILE 52 CO 0.08 -0.08 0.97 -1.61 0.00 0.00 0.00 174.94 174.29 1x5r s GLU 53 N -0.24 4.58 0.08 2.79 2.02 -0.98 -4.98 118.70 121.97 1x5r s GLU 53 Ca -0.03 1.41 -0.30 0.00 0.02 0.00 0.00 54.97 56.07 1x5r s GLU 53 Cb -0.02 -2.87 -0.06 0.00 0.10 0.00 0.00 34.13 31.28 1x5r s GLU 53 CO 0.00 0.26 1.15 -1.25 0.02 0.00 0.00 175.26 175.44 1x5r s PRO 54 N -1.93 4.48 0.00 0.39 0.04 -1.26 -2.46 135.00 134.26 1x5r s PRO 54 Ca 0.49 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1x5r s PRO 54 Cb -0.21 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1x5r s PRO 54 CO 0.27 -0.16 0.00 -0.25 0.04 0.00 0.00 177.00 176.89 1x5r n ASP 55 N 3.58 -4.33 -3.95 6.66 9.92 -1.26 -4.97 116.55 122.20 1x5r n ASP 55 Ca 0.07 0.00 -0.30 0.00 -0.53 0.00 0.00 54.79 54.03 1x5r n ASP 55 Cb 0.47 -2.14 0.21 0.00 -0.64 0.00 0.00 41.12 39.02 1x5r n ASP 55 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1x5r s SER 56 N -2.03 2.21 0.09 -2.24 1.04 -1.03 -4.81 113.70 106.93 1x5r s SER 56 Ca 0.00 0.35 -0.12 0.00 0.48 0.00 0.00 55.95 56.66 1x5r s SER 56 Cb 0.00 -0.43 -0.18 0.00 0.10 0.00 0.00 66.02 65.51 1x5r s SER 56 CO 0.00 -3.30 1.25 1.55 0.98 0.00 0.00 173.24 173.72 1x5r h PRO 57 N -2.03 0.70 0.00 4.02 0.13 -1.83 0.11 132.00 133.11 1x5r h PRO 57 Ca -0.44 -0.68 -0.02 0.00 -0.87 0.00 0.00 66.00 63.99 1x5r h PRO 57 Cb 1.25 0.18 -0.00 0.00 0.13 0.00 0.00 31.00 32.55 1x5r h PRO 57 CO 0.34 1.27 -0.10 0.00 -0.23 0.00 0.00 178.00 179.29 1x5r h ALA 58 N 0.50 1.38 0.08 -0.56 0.00 -1.61 -2.05 119.26 117.00 1x5r h ALA 58 Ca -0.10 -0.09 -0.34 0.00 0.00 0.00 0.00 54.91 54.39 1x5r h ALA 58 Cb 1.57 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 1x5r h ALA 58 CO 0.18 0.12 -1.88 -1.91 0.00 0.00 0.00 179.25 175.77 1x5r n GLU 59 N -3.76 0.71 -0.24 0.00 0.00 -1.15 -4.04 120.64 112.16 1x5r n GLU 59 Ca -0.02 0.28 0.07 0.00 0.00 0.00 0.00 57.16 57.49 1x5r n GLU 59 Cb 0.20 -1.74 0.33 0.00 0.00 0.00 0.00 31.44 30.22 1x5r n GLU 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1x5r h ARG 60 N 0.04 0.80 0.00 5.31 3.08 -0.18 0.39 114.38 123.82 1x5r h ARG 60 Ca -0.37 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.60 1x5r h ARG 60 Cb 2.03 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 31.89 1x5r h ARG 60 CO 0.09 0.53 -0.15 0.00 -1.07 0.00 0.00 179.97 179.37 1x5r n GLY 62 N -0.98 1.14 0.40 0.00 0.00 0.14 -4.59 105.19 101.30 1x5r n GLY 62 Ca -0.02 -0.01 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 1x5r n GLY 62 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x5r h LEU 63 N 0.00 -1.81 -9.83 0.99 3.38 -1.86 -3.38 115.31 102.80 1x5r h LEU 63 Ca 0.00 0.32 -0.55 0.00 0.09 0.00 0.00 57.88 57.74 1x5r h LEU 63 Cb 0.00 0.86 0.11 0.00 0.09 0.00 0.00 40.66 41.72 1x5r h LEU 63 CO 0.00 -0.26 0.67 -0.11 0.09 0.00 0.00 178.44 178.83 1x5r n LEU 64 N -5.36 4.17 -3.58 1.67 7.94 -1.26 -4.98 117.00 115.59 1x5r n LEU 64 Ca 0.06 1.21 -0.09 0.00 -1.11 0.00 0.00 56.01 56.08 1x5r n LEU 64 Cb 0.33 -1.55 -0.05 0.00 0.53 0.00 0.00 43.42 42.68 1x5r n LEU 64 CO -0.15 -0.13 0.83 0.00 -1.11 0.00 0.00 177.39 176.83 1x5r s GLN 65 N -1.76 0.52 0.00 1.96 -2.07 -1.26 -4.81 119.66 112.25 1x5r s GLN 65 Ca 0.56 0.09 -0.38 0.00 -1.82 0.00 0.00 55.36 53.81 1x5r s GLN 65 Cb -0.52 0.25 -0.17 0.00 -1.09 0.00 0.00 33.01 31.48 1x5r s GLN 65 CO 0.61 -0.17 1.42 0.28 -1.32 0.00 0.00 175.29 176.10 1x5r n VAL 66 N 0.60 0.07 0.00 3.63 0.31 -1.26 -0.80 118.33 120.88 1x5r n VAL 66 Ca -0.08 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1x5r n VAL 66 Cb 0.58 -0.87 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 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 2.84 3.00 3.14 2.92 0.00 -1.16 -4.93 105.19 111.00 1x5r n GLY 67 Ca 0.20 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 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 0.45 -3.38 -4.50 1.61 9.92 0.02 -4.55 116.55 116.13 1x5r n ASP 68 Ca 0.00 0.06 -0.25 0.00 -0.53 0.00 0.00 54.79 54.07 1x5r n ASP 68 Cb 0.00 -0.79 -0.10 0.00 -0.64 0.00 0.00 41.12 39.59 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 -2.63 1.77 -0.38 -1.24 3.00 -1.26 -2.46 118.95 115.75 1x5r s ARG 69 Ca 0.45 -1.61 0.01 0.00 0.00 0.00 0.00 55.73 54.59 1x5r s ARG 69 Cb -0.06 -1.89 0.12 0.00 0.00 0.00 0.00 34.95 33.12 1x5r s ARG 69 CO 0.70 0.36 0.17 0.08 0.00 0.00 0.00 175.30 176.61 1x5r s VAL 70 N -2.20 1.22 0.04 3.52 1.01 -0.35 -4.06 120.40 119.58 1x5r s VAL 70 Ca 0.27 -2.05 -0.27 0.00 0.00 0.00 0.00 61.98 59.93 1x5r s VAL 70 Cb -0.06 -1.88 -0.15 0.00 0.00 0.00 0.00 36.38 34.29 1x5r s VAL 70 CO 0.15 -0.79 1.38 -0.07 0.00 0.00 0.00 175.10 175.77 1x5r h LEU 71 N 7.34 -0.83 -9.19 3.92 3.38 -0.59 -3.34 115.31 116.02 1x5r h LEU 71 Ca -0.06 0.03 -0.46 0.00 0.09 0.00 0.00 57.88 57.48 1x5r h LEU 71 Cb 0.97 0.21 -0.14 0.00 0.09 0.00 0.00 40.66 41.79 1x5r h LEU 71 CO 0.47 -0.58 -0.61 -0.94 0.09 0.00 0.00 178.44 176.87 1x5r s SER 72 N -3.49 2.24 -0.20 -0.43 1.04 -1.25 -1.30 113.70 110.31 1x5r s SER 72 Ca -0.14 -1.37 -0.01 0.00 0.48 0.00 0.00 55.95 54.90 1x5r s SER 72 Cb 0.01 -0.06 0.06 0.00 0.10 0.00 0.00 66.02 66.13 1x5r s SER 72 CO 0.43 -0.62 -0.01 -0.63 0.98 0.00 0.00 173.24 173.39 1x5r s ILE 73 N -3.34 0.94 0.00 -1.02 1.01 0.41 -2.71 121.20 116.49 1x5r s ILE 73 Ca 0.37 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 60.23 1x5r s ILE 73 Cb 0.09 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 41.23 1x5r s ILE 73 CO 0.15 -0.13 0.00 -3.20 0.00 0.00 0.00 174.94 171.77 1x5r n ASN 74 N 4.90 -3.23 0.00 3.58 2.85 0.51 -1.45 115.26 122.41 1x5r n ASN 74 Ca -0.10 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.37 1x5r n ASN 74 Cb 0.46 -1.71 0.00 0.00 1.24 0.00 0.00 39.78 39.77 1x5r n ASN 74 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5r n GLY 75 N -1.36 0.83 3.60 8.20 0.00 -1.26 -4.90 105.19 110.29 1x5r n GLY 75 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 5.27 -0.04 -0.61 -1.09 -0.53 -5.01 121.20 117.20 1x5r s ILE 76 Ca 0.00 0.30 -0.30 0.00 -2.23 0.00 0.00 60.65 58.42 1x5r s ILE 76 Cb 0.00 -3.58 -0.05 0.00 -1.58 0.00 0.00 42.46 37.25 1x5r s ILE 76 CO 0.00 0.23 1.49 0.00 -1.23 0.00 0.00 174.94 175.42 1x5r s ALA 77 N 1.82 3.62 0.27 9.38 0.00 -1.26 0.15 121.76 135.73 1x5r s ALA 77 Ca 0.10 0.87 0.20 0.00 0.00 0.00 0.00 51.96 53.12 1x5r s ALA 77 Cb -0.16 -3.66 0.87 0.00 0.00 0.00 0.00 23.12 20.17 1x5r s ALA 77 CO 0.10 -1.13 1.83 1.79 0.00 0.00 0.00 175.76 178.36 1x5r h THR 78 N 5.21 0.88 0.00 0.00 1.35 -1.48 -2.04 112.91 116.83 1x5r h THR 78 Ca -0.37 -1.23 0.00 0.00 -0.55 0.00 0.00 66.41 64.26 1x5r h THR 78 Cb 1.17 1.74 0.00 0.00 -1.73 0.00 0.00 68.15 69.33 1x5r h THR 78 CO 0.93 0.31 0.00 -0.33 -0.25 0.00 0.00 175.52 176.18 1x5r h GLU 79 N 0.00 0.00 -1.02 4.72 5.08 -1.76 -2.60 114.58 119.00 1x5r h GLU 79 Ca -0.00 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.68 1x5r h GLU 79 Cb 0.72 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 29.67 1x5r h GLU 79 CO 0.04 0.00 0.81 -3.47 -1.00 0.00 0.00 179.01 175.39 1x5r n ASP 80 N -2.40 7.59 0.00 1.42 2.03 -0.77 -4.33 116.55 120.09 1x5r n ASP 80 Ca 0.01 -3.79 0.00 0.00 0.52 0.00 0.00 54.79 51.54 1x5r n ASP 80 Cb 0.22 -0.95 0.00 0.00 -0.72 0.00 0.00 41.12 39.67 1x5r n ASP 80 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x5r n GLY 81 N -0.90 -1.24 3.88 0.27 0.00 -0.98 -4.97 105.19 101.26 1x5r n GLY 81 Ca 0.62 -0.84 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.92 4.66 0.16 2.61 -4.23 -1.26 0.15 115.64 114.81 1x5r s THR 82 Ca 0.00 -1.25 -0.24 0.00 -1.18 0.00 0.00 61.69 59.02 1x5r s THR 82 Cb 0.00 -3.55 0.01 0.00 1.34 0.00 0.00 72.50 70.31 1x5r s THR 82 CO 0.00 -0.33 1.38 0.80 -0.54 0.00 0.00 174.62 175.93 1x5r n MET 83 N -1.28 -0.34 -0.30 3.99 1.56 -0.58 -0.16 117.12 120.00 1x5r n MET 83 Ca -0.08 1.36 -0.10 0.00 -0.27 0.00 0.00 57.70 58.61 1x5r n MET 83 Cb 0.58 -2.00 -0.07 0.00 2.15 0.00 0.00 33.22 33.87 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 -0.14 -0.92 2.12 4.81 -1.73 0.23 114.58 118.96 1x5r h GLU 84 Ca 0.19 0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.59 1x5r h GLU 84 Cb 0.41 0.03 -0.16 0.00 0.63 0.00 0.00 28.75 29.66 1x5r h GLU 84 CO -0.85 -0.09 -0.29 0.39 -0.73 0.00 0.00 179.01 177.43 1x5r n GLU 85 N -5.34 -0.14 -0.08 1.92 -0.58 0.77 0.19 120.64 117.38 1x5r n GLU 85 Ca 0.02 1.42 -0.07 0.00 -0.42 0.00 0.00 57.16 58.11 1x5r n GLU 85 Cb 0.32 -2.12 -0.00 0.00 -0.57 0.00 0.00 31.44 29.06 1x5r n GLU 85 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x5r h ALA 86 N 1.57 0.26 0.51 0.62 0.00 -0.30 0.11 119.26 122.03 1x5r h ALA 86 Ca 0.38 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.35 1x5r h ALA 86 Cb 0.61 0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.54 1x5r h ALA 86 CO -0.93 -0.41 -0.25 -0.91 0.00 0.00 0.00 179.25 176.76 1x5r h ASN 87 N 0.09 -0.58 -1.23 0.00 2.35 0.24 -2.21 115.58 114.24 1x5r h ASN 87 Ca 0.14 -0.04 0.36 0.00 -0.55 0.00 0.00 56.30 56.21 1x5r h ASN 87 Cb 0.18 0.15 -0.09 0.00 0.05 0.00 0.00 38.32 38.61 1x5r h ASN 87 CO -0.23 -0.31 0.82 -0.61 -1.65 0.00 0.00 177.43 175.45 1x5r h GLN 88 N -0.83 0.17 -0.03 0.81 5.75 0.25 0.63 115.11 121.86 1x5r h GLN 88 Ca -0.07 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.41 1x5r h GLN 88 Cb 0.59 -0.04 -0.00 0.00 1.07 0.00 0.00 27.48 29.10 1x5r h GLN 88 CO 0.12 0.11 -0.00 -0.07 -2.65 0.00 0.00 178.83 176.34 1x5r h LEU 89 N 0.18 0.05 -1.39 -2.39 3.38 -0.29 -2.21 115.31 112.63 1x5r h LEU 89 Ca 0.68 -0.33 0.12 0.00 0.09 0.00 0.00 57.88 58.44 1x5r h LEU 89 Cb 2.18 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 42.85 1x5r h LEU 89 CO -0.24 0.37 0.53 -0.07 0.09 0.00 0.00 178.44 179.12 1x5r h LEU 90 N -0.26 0.58 0.13 1.67 -0.00 0.78 0.21 115.31 118.42 1x5r h LEU 90 Ca 0.01 0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.91 1x5r h LEU 90 Cb 0.34 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 40.91 1x5r h LEU 90 CO 0.00 0.32 -0.06 -0.09 -0.00 0.00 0.00 178.44 178.61 1x5r h ARG 91 N 0.63 -0.16 -1.01 1.13 2.43 -0.79 0.26 114.38 116.86 1x5r h ARG 91 Ca 0.39 0.01 0.25 0.00 -0.81 0.00 0.00 59.98 59.82 1x5r h ARG 91 Cb 0.62 0.04 -0.09 0.00 -0.42 0.00 0.00 29.97 30.12 1x5r h ARG 91 CO -0.15 -0.11 0.66 0.22 -1.51 0.00 0.00 179.97 179.08 1x5r h ASP 92 N -0.18 0.44 -0.14 -3.80 1.82 -1.14 1.27 116.42 114.69 1x5r h ASP 92 Ca -0.02 0.07 -0.07 0.00 -0.39 0.00 0.00 57.03 56.63 1x5r h ASP 92 Cb 0.13 -0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.12 1x5r h ASP 92 CO 0.03 0.11 -0.11 0.00 -1.61 0.00 0.00 179.24 177.66 1x5r h ALA 93 N 1.61 1.26 -0.49 -0.78 0.00 -0.37 -2.11 119.26 118.38 1x5r h ALA 93 Ca 0.57 -0.26 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 1x5r h ALA 93 Cb 1.43 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1x5r h ALA 93 CO -0.26 0.49 -0.05 0.00 0.00 0.00 0.00 179.25 179.42 1x5r h ALA 94 N 1.43 0.98 0.00 0.00 0.00 0.52 -1.00 119.26 121.19 1x5r h ALA 94 Ca 0.09 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1x5r h ALA 94 Cb 0.47 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1x5r h ALA 94 CO 0.03 0.61 0.00 -0.07 0.00 0.00 0.00 179.25 179.82 1x5r h LEU 95 N 0.79 0.00 -0.01 0.00 3.38 -0.60 0.11 115.31 118.97 1x5r h LEU 95 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1x5r h LEU 95 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1x5r h LEU 95 CO 0.03 0.00 -0.61 0.00 0.09 0.00 0.00 178.44 177.95 1x5r n ALA 96 N -1.90 3.81 -1.05 1.53 0.00 -0.42 -4.92 120.51 117.56 1x5r n ALA 96 Ca 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 53.44 53.02 1x5r n ALA 96 Cb 0.18 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.48 0.00 -3.67 0.00 8.25 0.38 -4.93 115.22 113.77 1x5r n HIS 97 Ca 0.05 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.38 1x5r n HIS 97 Cb 0.33 -1.36 -0.07 0.00 1.12 0.00 0.00 29.99 30.01 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 -1.47 0.89 -0.19 -0.41 2.36 -1.07 -3.12 119.74 116.73 1x5r s LYS 98 Ca 0.00 -0.25 -0.27 0.00 -2.55 0.00 0.00 55.97 52.89 1x5r s LYS 98 Cb 0.00 0.40 0.08 0.00 -1.05 0.00 0.00 37.83 37.26 1x5r s LYS 98 CO 0.00 -0.29 0.76 0.54 1.55 0.00 0.00 175.35 177.91 1x5r s VAL 99 N -2.09 0.00 -0.10 4.02 0.11 0.38 -4.39 120.40 118.33 1x5r s VAL 99 Ca -0.08 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 58.98 1x5r s VAL 99 Cb -0.02 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.82 1x5r s VAL 99 CO 0.00 0.00 -0.14 -0.69 -3.33 0.00 0.00 175.10 170.95 1x5r s VAL 100 N -0.28 3.04 0.06 2.04 1.01 -1.26 -0.47 120.40 124.54 1x5r s VAL 100 Ca -0.04 -0.69 0.09 0.00 0.00 0.00 0.00 61.98 61.35 1x5r s VAL 100 Cb -0.03 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 34.07 1x5r s VAL 100 CO 0.03 0.55 -0.26 -0.76 0.00 0.00 0.00 175.10 174.66 1x5r s LEU 101 N 0.00 2.19 -0.25 3.92 1.43 0.29 0.19 118.68 126.45 1x5r s LEU 101 Ca -0.04 -0.61 0.02 0.00 -1.03 0.00 0.00 54.13 52.48 1x5r s LEU 101 Cb -0.14 -1.26 0.05 0.00 0.03 0.00 0.00 46.19 44.87 1x5r s LEU 101 CO 0.04 0.24 -0.12 -0.70 0.23 0.00 0.00 176.35 176.05 1x5r s GLU 102 N -1.34 2.38 0.16 1.70 2.12 -1.10 -1.36 118.70 121.26 1x5r s GLU 102 Ca 0.12 -1.26 0.02 0.00 0.36 0.00 0.00 54.97 54.21 1x5r s GLU 102 Cb -0.10 -2.86 -0.04 0.00 0.26 0.00 0.00 34.13 31.40 1x5r s GLU 102 CO 0.03 -0.51 0.30 0.08 -0.54 0.00 0.00 175.26 174.61 1x5r s VAL 103 N 1.14 5.31 -0.04 3.70 1.01 -1.02 0.17 120.40 130.67 1x5r s VAL 103 Ca -0.07 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.28 1x5r s VAL 103 Cb -0.19 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 1x5r s VAL 103 CO -0.06 -0.12 -0.24 -0.70 0.00 0.00 0.00 175.10 173.98 1x5r s GLU 104 N -3.31 2.25 0.16 2.72 2.12 -1.26 -2.33 118.70 119.04 1x5r s GLU 104 Ca 0.35 -0.85 -0.23 0.00 0.36 0.00 0.00 54.97 54.60 1x5r s GLU 104 Cb -0.11 -1.98 0.08 0.00 0.26 0.00 0.00 34.13 32.38 1x5r s GLU 104 CO 0.29 0.41 1.08 -0.59 -0.54 0.00 0.00 175.26 175.90 1x5r s PHE 105 N -0.26 0.08 0.00 5.30 -0.12 -0.77 -4.68 117.98 117.52 1x5r s PHE 105 Ca 0.00 -0.45 0.00 0.00 -0.05 0.00 0.00 56.93 56.44 1x5r s PHE 105 Cb -0.12 0.69 0.00 0.00 -0.63 0.00 0.00 43.02 42.96 1x5r s PHE 105 CO 0.02 -0.84 0.95 -0.25 -0.05 0.00 0.00 175.22 175.05 1x5r n ASP 106 N -1.27 1.82 -2.59 1.98 9.92 -1.26 -1.79 116.55 123.37 1x5r n ASP 106 Ca -0.01 -1.89 -0.00 0.00 -0.53 0.00 0.00 54.79 52.35 1x5r n ASP 106 Cb 0.59 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.07 1x5r n ASP 106 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1x5r n SER 107 N -0.45 -7.39 0.00 -2.24 2.88 -1.26 -4.99 113.62 100.17 1x5r n SER 107 Ca 0.00 1.25 0.00 0.00 -1.33 0.00 0.00 58.87 58.79 1x5r n SER 107 Cb 0.26 -4.88 0.00 0.00 -0.75 0.00 0.00 64.21 58.84 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 0.59 4.18 0.18 0.46 0.00 -1.26 -5.02 105.19 104.32 1x5r n GLY 108 Ca 0.00 -0.51 -0.15 0.00 0.00 0.00 0.00 46.02 45.37 1x5r n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5r h PRO 109 N 0.00 0.52 -6.23 1.61 0.13 -2.06 -3.44 132.00 122.54 1x5r h PRO 109 Ca 0.00 -0.51 -0.55 0.00 -0.87 0.00 0.00 66.00 64.07 1x5r h PRO 109 Cb 0.00 0.13 0.01 0.00 0.13 0.00 0.00 31.00 31.27 1x5r h PRO 109 CO 0.00 1.14 1.29 -1.54 -0.23 0.00 0.00 178.00 178.67 1x5r s SER 110 N -7.10 6.15 0.50 1.44 1.04 -1.26 -4.57 113.70 109.90 1x5r s SER 110 Ca -0.07 2.29 0.00 0.00 0.48 0.00 0.00 55.95 58.65 1x5r s SER 110 Cb 0.09 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.68 1x5r s SER 110 CO 0.88 -1.35 0.00 -1.20 0.98 0.00 0.00 173.24 172.55 1x5r n SER 111 N 8.90 -7.51 0.00 7.02 7.64 -1.26 -5.11 113.62 123.30 1x5r n SER 111 Ca 0.23 1.48 0.00 0.00 1.01 0.00 0.00 58.87 61.59 1x5r n SER 111 Cb 0.43 -4.27 0.00 0.00 -1.01 0.00 0.00 64.21 59.36 1x5r n SER 111 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64