#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 -7.48 -3.25 1.61 2.88 -1.26 -5.04 113.62 101.08 1x5r n SER 2 Ca 0.00 1.00 -0.04 0.00 -1.33 0.00 0.00 58.87 58.49 1x5r n SER 2 Cb 0.00 -3.50 -0.03 0.00 -0.75 0.00 0.00 64.21 59.93 1x5r n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x5r s SER 3 N -1.89 -0.61 0.54 -3.46 0.15 -1.26 -5.16 113.70 102.02 1x5r s SER 3 Ca 0.00 -0.76 -0.01 0.00 0.70 0.00 0.00 55.95 55.89 1x5r s SER 3 Cb 0.00 1.51 0.04 0.00 -1.71 0.00 0.00 66.02 65.86 1x5r s SER 3 CO 0.00 -0.24 0.29 0.61 1.20 0.00 0.00 173.24 175.10 1x5r n GLY 4 N 4.68 0.50 3.14 9.45 0.00 -1.26 -5.04 105.19 116.67 1x5r n GLY 4 Ca 0.08 -1.94 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 1x5r n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x5r n SER 5 N -3.01 -3.89 -3.74 1.61 3.41 -1.26 -4.99 113.62 101.76 1x5r n SER 5 Ca 0.05 0.13 -0.24 0.00 -0.26 0.00 0.00 58.87 58.55 1x5r n SER 5 Cb 0.17 -0.84 -0.17 0.00 -0.26 0.00 0.00 64.21 63.10 1x5r n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1x5r s SER 6 N -1.37 1.93 0.00 4.04 0.01 -1.26 -5.07 113.70 111.98 1x5r s SER 6 Ca 0.46 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.42 1x5r s SER 6 Cb -0.12 -0.43 0.00 0.00 0.21 0.00 0.00 66.02 65.68 1x5r s SER 6 CO 0.73 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.75 1x5r n GLY 7 N 5.15 0.06 3.82 3.44 0.00 -1.26 -5.02 105.19 111.38 1x5r n GLY 7 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1x5r n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x5r s GLY 8 N -0.46 2.07 0.50 -0.02 0.00 -1.26 -5.06 107.32 103.09 1x5r s GLY 8 Ca 0.00 -0.76 -0.19 0.00 0.00 0.00 0.00 44.72 43.78 1x5r s GLY 8 CO 0.00 -0.57 0.04 0.61 0.00 0.00 0.00 173.10 173.19 1x5r n GLY 9 N 1.59 -2.79 2.69 0.20 0.00 -1.26 -4.97 105.19 100.65 1x5r n GLY 9 Ca -0.16 -0.15 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.21 0.41 0.50 1.61 0.74 -1.26 -5.10 119.66 115.35 1x5r s GLN 10 Ca 0.60 -0.54 0.00 0.00 0.05 0.00 0.00 55.36 55.47 1x5r s GLN 10 Cb -0.51 -0.83 0.00 0.00 1.10 0.00 0.00 33.01 32.77 1x5r s GLN 10 CO 0.63 -1.09 0.00 -0.89 -0.55 0.00 0.00 175.29 173.39 1x5r n ILE 11 N 4.87 -2.58 -3.60 -2.34 5.41 -1.26 -4.92 119.36 114.94 1x5r n ILE 11 Ca 0.02 1.28 -0.29 0.00 1.00 0.00 0.00 62.75 64.76 1x5r n ILE 11 Cb 0.44 -2.10 -0.13 0.00 -0.71 0.00 0.00 39.64 37.14 1x5r n ILE 11 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1x5r s VAL 12 N -5.12 0.63 0.00 1.39 1.01 -1.26 -5.03 120.40 112.02 1x5r s VAL 12 Ca 0.00 -1.78 0.00 0.00 0.00 0.00 0.00 61.98 60.20 1x5r s VAL 12 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 36.38 34.91 1x5r s VAL 12 CO 0.00 -0.87 0.82 1.57 0.00 0.00 0.00 175.10 176.62 1x5r n HIS 13 N 4.20 0.00 -4.31 5.22 -0.00 -1.26 -4.79 115.22 114.28 1x5r n HIS 13 Ca 0.06 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.06 1x5r n HIS 13 Cb 0.38 -0.32 -0.10 0.00 -0.12 0.00 0.00 29.99 29.82 1x5r n HIS 13 CO 0.00 0.00 0.00 0.99 0.46 0.00 0.00 176.34 177.79 1x5r s THR 14 N -2.29 1.57 0.31 3.57 2.01 -1.26 -5.09 115.64 114.45 1x5r s THR 14 Ca 0.00 -2.09 -0.10 0.00 0.31 0.00 0.00 61.69 59.81 1x5r s THR 14 Cb 0.00 -1.92 -0.07 0.00 0.01 0.00 0.00 72.50 70.52 1x5r s THR 14 CO 0.00 -0.58 0.65 -1.61 -0.69 0.00 0.00 174.62 172.38 1x5r s GLU 15 N -3.47 3.80 -0.11 4.92 0.41 -0.54 -4.99 118.70 118.72 1x5r s GLU 15 Ca 0.19 0.35 -0.09 0.00 -0.41 0.00 0.00 54.97 55.01 1x5r s GLU 15 Cb -0.01 -2.53 0.04 0.00 -1.78 0.00 0.00 34.13 29.84 1x5r s GLU 15 CO 0.05 0.17 0.29 0.95 -0.49 0.00 0.00 175.26 176.23 1x5r s THR 16 N -2.06 -0.01 -0.11 3.63 -4.23 -1.26 -2.32 115.64 109.27 1x5r s THR 16 Ca 0.49 0.05 -0.01 0.00 -1.18 0.00 0.00 61.69 61.04 1x5r s THR 16 Cb -0.11 -0.42 -0.02 0.00 1.34 0.00 0.00 72.50 73.29 1x5r s THR 16 CO 0.25 0.02 -0.08 0.28 -0.54 0.00 0.00 174.62 174.55 1x5r s THR 17 N 0.57 3.52 -0.17 3.99 -1.32 -1.10 -4.93 115.64 116.20 1x5r s THR 17 Ca -0.03 -0.52 -0.06 0.00 -1.21 0.00 0.00 61.69 59.87 1x5r s THR 17 Cb -0.05 -2.48 -0.04 0.00 -1.51 0.00 0.00 72.50 68.43 1x5r s THR 17 CO -0.03 0.54 0.03 -0.70 -2.21 0.00 0.00 174.62 172.25 1x5r s GLU 18 N -0.10 3.84 -0.06 7.08 2.12 -1.26 -2.29 118.70 128.02 1x5r s GLU 18 Ca 0.00 -0.40 0.03 0.00 0.36 0.00 0.00 54.97 54.96 1x5r s GLU 18 Cb -0.13 -3.10 0.01 0.00 0.26 0.00 0.00 34.13 31.16 1x5r s GLU 18 CO 0.03 0.29 -0.16 0.08 -0.54 0.00 0.00 175.26 174.96 1x5r s VAL 19 N 0.30 1.36 -0.55 3.70 1.01 -0.62 -4.94 120.40 120.66 1x5r s VAL 19 Ca 0.01 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.24 1x5r s VAL 19 Cb -0.13 -1.20 0.14 0.00 0.00 0.00 0.00 36.38 35.19 1x5r s VAL 19 CO 0.01 0.40 0.46 -0.69 0.00 0.00 0.00 175.10 175.28 1x5r s VAL 20 N 0.39 4.70 0.31 2.92 1.01 -1.26 -1.10 120.40 127.37 1x5r s VAL 20 Ca -0.11 -1.87 -0.16 0.00 0.00 0.00 0.00 61.98 59.84 1x5r s VAL 20 Cb -0.15 -4.03 -0.09 0.00 0.00 0.00 0.00 36.38 32.11 1x5r s VAL 20 CO 0.04 -0.85 0.74 -0.76 0.00 0.00 0.00 175.10 174.27 1x5r s LEU 21 N 1.18 4.11 -0.22 3.92 1.02 0.07 -4.87 118.68 123.88 1x5r s LEU 21 Ca 0.07 1.32 -0.02 0.00 0.02 0.00 0.00 54.13 55.52 1x5r s LEU 21 Cb -0.25 -4.00 0.07 0.00 0.02 0.00 0.00 46.19 42.03 1x5r s LEU 21 CO -0.01 -0.16 0.05 0.00 0.02 0.00 0.00 176.35 176.25 1x5r n GLY 23 N 5.01 3.25 3.97 0.00 0.00 -1.25 -4.99 105.19 111.19 1x5r n GLY 23 Ca -0.08 -2.01 -0.21 0.00 0.00 0.00 0.00 46.02 43.72 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 -3.12 5.68 0.01 1.61 1.11 -0.82 -4.12 116.67 117.02 1x5r s ASP 24 Ca 0.24 0.04 -0.20 0.00 0.18 0.00 0.00 52.55 52.81 1x5r s ASP 24 Cb 0.01 -1.20 -0.22 0.00 1.07 0.00 0.00 42.92 42.59 1x5r s ASP 24 CO 0.17 -0.78 1.13 1.55 1.18 0.00 0.00 175.17 178.42 1x5r h PRO 25 N 0.42 0.41 -0.02 8.23 0.13 -1.84 1.32 132.00 140.66 1x5r h PRO 25 Ca -0.44 -0.40 -0.02 0.00 -0.87 0.00 0.00 66.00 64.27 1x5r h PRO 25 Cb 1.27 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1x5r h PRO 25 CO 0.54 1.06 -0.06 -0.07 -0.23 0.00 0.00 178.00 179.24 1x5r h LEU 26 N -0.08 0.08 -0.58 1.56 -0.00 -1.96 -3.23 115.31 111.11 1x5r h LEU 26 Ca -0.06 -0.61 -0.15 0.00 -0.00 0.00 0.00 57.88 57.06 1x5r h LEU 26 Cb 1.22 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 41.84 1x5r h LEU 26 CO 0.11 0.68 -0.68 -1.28 -0.00 0.00 0.00 178.44 177.27 1x5r h SER 27 N -0.51 0.17 0.00 -0.43 0.87 -1.98 -3.48 113.55 108.19 1x5r h SER 27 Ca -0.00 -0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1x5r h SER 27 Cb 0.67 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 1x5r h SER 27 CO 0.01 0.80 0.00 0.61 -0.53 0.00 0.00 176.83 177.72 1x5r n GLY 28 N 0.44 2.39 0.00 5.77 0.00 0.45 -4.71 105.19 109.53 1x5r n GLY 28 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 12.50 0.00 0.00 1.61 3.72 -1.26 -1.94 117.46 132.09 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 2.34 -0.66 3.22 1.37 0.00 -1.26 -4.00 105.19 106.21 1x5r n GLY 30 Ca 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 0.82 -0.09 0.99 0.05 -1.26 -2.27 118.68 116.92 1x5r s LEU 31 Ca 0.00 0.36 0.03 0.00 0.05 0.00 0.00 54.13 54.57 1x5r s LEU 31 Cb 0.00 1.18 0.01 0.00 -2.05 0.00 0.00 46.19 45.33 1x5r s LEU 31 CO 0.00 -0.28 -0.18 -1.10 -0.55 0.00 0.00 176.35 174.24 1x5r s GLN 32 N -0.58 2.41 0.33 1.48 -1.52 0.89 -4.97 119.66 117.70 1x5r s GLN 32 Ca -0.07 -0.65 -0.05 0.00 -1.95 0.00 0.00 55.36 52.63 1x5r s GLN 32 Cb -0.04 -1.90 -0.05 0.00 -0.22 0.00 0.00 33.01 30.80 1x5r s GLN 32 CO 0.02 0.08 0.61 -0.51 -0.25 0.00 0.00 175.29 175.24 1x5r s LEU 33 N 0.57 3.98 -0.15 2.90 1.43 -1.26 0.12 118.68 126.27 1x5r s LEU 33 Ca -0.15 0.78 -0.01 0.00 -1.03 0.00 0.00 54.13 53.71 1x5r s LEU 33 Cb -0.17 -3.62 0.04 0.00 0.03 0.00 0.00 46.19 42.47 1x5r s LEU 33 CO 0.05 -0.27 -0.01 -1.58 0.23 0.00 0.00 176.35 174.77 1x5r s GLN 34 N -3.76 0.97 0.00 1.70 0.74 0.50 -4.31 119.66 115.48 1x5r s GLN 34 Ca 0.45 -0.30 0.00 0.00 0.05 0.00 0.00 55.36 55.56 1x5r s GLN 34 Cb -0.10 -1.74 0.00 0.00 1.10 0.00 0.00 33.01 32.27 1x5r s GLN 34 CO 0.32 -0.45 0.00 0.41 -0.55 0.00 0.00 175.29 175.01 1x5r n GLY 35 N 5.01 4.80 3.44 2.59 0.00 -1.26 -1.05 105.19 118.72 1x5r n GLY 35 Ca -0.10 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.92 0.07 -0.02 0.00 -1.26 -4.96 105.19 97.10 1x5r n GLY 36 Ca 0.00 -0.98 -0.14 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.34 1.74 -4.37 -0.61 5.03 -2.01 -3.46 117.51 111.48 1x5r h ILE 37 Ca -0.56 -2.28 -0.49 0.00 -0.12 0.00 0.00 64.86 61.41 1x5r h ILE 37 Cb 1.33 3.29 0.10 0.00 -3.03 0.00 0.00 36.82 38.51 1x5r h ILE 37 CO 0.44 0.60 0.37 -0.36 -0.68 0.00 0.00 178.15 178.52 1x5r s PHE 38 N -2.38 3.00 -0.26 1.37 0.40 -1.26 -5.02 117.98 113.83 1x5r s PHE 38 Ca -0.18 1.08 -0.15 0.00 -0.60 0.00 0.00 56.93 57.07 1x5r s PHE 38 Cb -0.02 -3.14 -0.14 0.00 0.51 0.00 0.00 43.02 40.23 1x5r s PHE 38 CO 0.70 -1.58 -0.19 0.00 0.70 0.00 0.00 175.22 174.86 1x5r n ALA 39 N -3.28 1.09 -2.11 5.36 0.00 -1.26 -4.67 120.51 115.64 1x5r n ALA 39 Ca 0.07 -0.93 -0.36 0.00 0.00 0.00 0.00 53.44 52.21 1x5r n ALA 39 Cb 0.57 -0.08 -0.03 0.00 0.00 0.00 0.00 19.45 19.91 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 -4.23 2.74 -3.57 0.00 -2.24 -1.26 -3.64 114.28 102.07 1x5r n THR 40 Ca -0.48 -2.77 0.01 0.00 -2.27 0.00 0.00 64.05 58.54 1x5r n THR 40 Cb 0.84 -2.28 -0.06 0.00 -2.10 0.00 0.00 70.33 66.73 1x5r n THR 40 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1x5r s GLU 41 N 5.26 0.15 0.90 -0.78 0.41 -1.26 -5.09 118.70 118.29 1x5r s GLU 41 Ca 0.60 0.29 -0.11 0.00 -0.41 0.00 0.00 54.97 55.34 1x5r s GLU 41 Cb 0.04 0.06 0.12 0.00 -1.78 0.00 0.00 34.13 32.57 1x5r s GLU 41 CO 0.10 -0.04 1.04 2.41 -0.49 0.00 0.00 175.26 178.28 1x5r n THR 42 N 3.57 0.38 -3.77 3.63 -1.04 -1.26 -3.47 114.28 112.32 1x5r n THR 42 Ca -0.16 -0.07 -0.36 0.00 -2.04 0.00 0.00 64.05 61.42 1x5r n THR 42 Cb 0.56 -0.97 -0.13 0.00 -1.82 0.00 0.00 70.33 67.97 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 -5.53 3.40 0.31 -4.42 1.43 0.89 -4.85 118.68 109.90 1x5r s LEU 43 Ca 0.67 -0.22 0.17 0.00 -1.03 0.00 0.00 54.13 53.72 1x5r s LEU 43 Cb -0.24 -1.91 0.12 0.00 0.03 0.00 0.00 46.19 44.19 1x5r s LEU 43 CO 0.58 -0.03 1.46 0.28 0.23 0.00 0.00 176.35 178.87 1x5r h SER 44 N 8.22 0.00 -4.39 2.29 0.02 -1.89 -3.38 113.55 114.42 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 1.17 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.57 1x5r h SER 44 CO 0.58 0.39 -0.67 -0.44 -1.14 0.00 0.00 176.83 175.54 1x5r s SER 45 N -6.37 1.34 0.21 3.07 0.01 -1.26 -4.97 113.70 105.73 1x5r s SER 45 Ca 0.04 -1.13 -0.30 0.00 1.31 0.00 0.00 55.95 55.87 1x5r s SER 45 Cb 0.07 0.09 -0.08 0.00 0.21 0.00 0.00 66.02 66.30 1x5r s SER 45 CO 0.73 -0.52 1.11 -2.16 0.41 0.00 0.00 173.24 172.81 1x5r s PRO 46 N -3.88 4.60 0.38 12.44 0.04 -1.26 -4.68 135.00 142.64 1x5r s PRO 46 Ca 0.22 1.76 -0.25 0.00 0.04 0.00 0.00 61.00 62.77 1x5r s PRO 46 Cb 0.05 -3.25 -0.09 0.00 0.04 0.00 0.00 34.50 31.26 1x5r s PRO 46 CO 0.03 0.10 1.06 -1.25 0.04 0.00 0.00 177.00 176.98 1x5r s PRO 47 N -0.67 4.23 0.42 0.56 0.04 -1.26 -4.72 135.00 133.60 1x5r s PRO 47 Ca 0.48 1.56 0.04 0.00 0.04 0.00 0.00 61.00 63.12 1x5r s PRO 47 Cb -0.30 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.60 1x5r s PRO 47 CO 0.37 -0.10 0.60 -0.51 0.04 0.00 0.00 177.00 177.41 1x5r s LEU 48 N -2.47 3.71 -0.84 -3.56 1.43 -0.22 -1.80 118.68 114.93 1x5r s LEU 48 Ca 0.56 -0.00 -0.25 0.00 -1.03 0.00 0.00 54.13 53.40 1x5r s LEU 48 Cb -0.24 -2.92 0.01 0.00 0.03 0.00 0.00 46.19 43.08 1x5r s LEU 48 CO 0.30 -0.68 1.60 -0.69 0.23 0.00 0.00 176.35 177.11 1x5r s VAL 49 N -2.43 3.65 0.11 -1.59 1.01 -0.62 0.19 120.40 120.72 1x5r s VAL 49 Ca 0.49 -0.18 -0.29 0.00 0.00 0.00 0.00 61.98 62.01 1x5r s VAL 49 Cb -0.10 -4.56 -0.09 0.00 0.00 0.00 0.00 36.38 31.63 1x5r s VAL 49 CO 0.35 -1.49 1.62 0.00 0.00 0.00 0.00 175.10 175.58 1x5r s PHE 51 N -6.01 0.62 -0.02 0.00 5.36 -1.18 -4.88 117.98 111.86 1x5r s PHE 51 Ca -0.16 -0.93 -0.02 0.00 -0.96 0.00 0.00 56.93 54.86 1x5r s PHE 51 Cb 0.08 0.00 0.01 0.00 -0.34 0.00 0.00 43.02 42.76 1x5r s PHE 51 CO 0.64 -0.94 0.06 0.42 -1.46 0.00 0.00 175.22 173.94 1x5r s ILE 52 N -3.92 -0.00 0.34 3.12 1.01 -1.26 -0.08 121.20 120.40 1x5r s ILE 52 Ca 0.27 0.01 -0.27 0.00 0.00 0.00 0.00 60.65 60.67 1x5r s ILE 52 Cb 0.01 -0.09 -0.09 0.00 0.01 0.00 0.00 42.46 42.30 1x5r s ILE 52 CO 0.11 0.01 1.06 -1.61 0.00 0.00 0.00 174.94 174.50 1x5r s GLU 53 N 0.11 4.42 0.30 2.79 2.02 -0.96 -4.98 118.70 122.40 1x5r s GLU 53 Ca -0.01 1.62 -0.28 0.00 0.02 0.00 0.00 54.97 56.32 1x5r s GLU 53 Cb -0.01 -2.86 -0.09 0.00 0.10 0.00 0.00 34.13 31.26 1x5r s GLU 53 CO -0.00 0.06 1.07 -1.25 0.02 0.00 0.00 175.26 175.16 1x5r s PRO 54 N -1.97 4.55 -1.15 0.39 0.04 -1.26 -2.72 135.00 132.89 1x5r s PRO 54 Ca 0.51 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.26 1x5r s PRO 54 Cb -0.26 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.23 1x5r s PRO 54 CO 0.33 0.16 0.00 -0.25 0.04 0.00 0.00 177.00 177.28 1x5r n ASP 55 N 0.93 -5.59 -4.48 6.66 9.92 -1.26 -4.95 116.55 117.78 1x5r n ASP 55 Ca 0.00 0.27 -0.25 0.00 -0.53 0.00 0.00 54.79 54.28 1x5r n ASP 55 Cb 0.46 -4.05 0.14 0.00 -0.64 0.00 0.00 41.12 37.03 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 -2.43 3.87 -0.04 -2.24 1.04 -1.10 -4.90 113.70 107.90 1x5r s SER 56 Ca 0.00 -0.35 -0.24 0.00 0.48 0.00 0.00 55.95 55.84 1x5r s SER 56 Cb 0.00 0.16 -0.23 0.00 0.10 0.00 0.00 66.02 66.05 1x5r s SER 56 CO 0.00 -2.20 1.07 1.55 0.98 0.00 0.00 173.24 174.64 1x5r h PRO 57 N -0.87 0.19 -0.43 4.02 0.13 -1.84 0.96 132.00 134.16 1x5r h PRO 57 Ca -0.37 -0.19 0.13 0.00 -0.87 0.00 0.00 66.00 64.70 1x5r h PRO 57 Cb 1.25 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 1x5r h PRO 57 CO 0.36 0.89 0.49 0.00 -0.23 0.00 0.00 178.00 179.51 1x5r h ALA 58 N 0.30 2.13 0.04 -0.56 0.00 -1.84 0.38 119.26 119.72 1x5r h ALA 58 Ca -0.03 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.55 1x5r h ALA 58 Cb 0.97 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 1x5r h ALA 58 CO 0.05 -0.71 -1.74 -1.91 0.00 0.00 0.00 179.25 174.94 1x5r n GLU 59 N -3.64 0.63 -0.13 0.00 4.07 -1.18 -4.10 120.64 116.30 1x5r n GLU 59 Ca 0.08 0.41 0.27 0.00 -0.06 0.00 0.00 57.16 57.86 1x5r n GLU 59 Cb 0.67 -1.69 0.72 0.00 -0.06 0.00 0.00 31.44 31.08 1x5r n GLU 59 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1x5r h ARG 60 N -0.60 0.00 0.00 5.31 3.08 0.91 1.50 114.38 124.58 1x5r h ARG 60 Ca -0.44 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.59 1x5r h ARG 60 Cb 1.61 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.66 1x5r h ARG 60 CO -0.14 0.00 -0.12 0.00 -1.07 0.00 0.00 179.97 178.64 1x5r n GLY 62 N -1.04 0.65 0.42 0.00 0.00 0.51 -4.24 105.19 101.49 1x5r n GLY 62 Ca -0.02 -0.01 0.22 0.00 0.00 0.00 0.00 46.02 46.20 1x5r n GLY 62 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1x5r h LEU 63 N 0.00 0.29 -9.43 0.99 8.10 -1.87 -3.38 115.31 110.01 1x5r h LEU 63 Ca 0.00 0.03 -0.55 0.00 0.11 0.00 0.00 57.88 57.48 1x5r h LEU 63 Cb 0.00 -0.02 -0.04 0.00 -0.44 0.00 0.00 40.66 40.16 1x5r h LEU 63 CO 0.00 0.11 0.21 -0.22 -4.11 0.00 0.00 178.44 174.43 1x5r s LEU 64 N -9.19 4.37 0.13 0.17 0.20 -1.26 -5.02 118.68 108.08 1x5r s LEU 64 Ca -0.07 1.44 -0.24 0.00 0.69 0.00 0.00 54.13 55.95 1x5r s LEU 64 Cb 0.23 -3.31 0.08 0.00 -0.43 0.00 0.00 46.19 42.75 1x5r s LEU 64 CO 0.78 -0.13 0.65 0.00 -0.29 0.00 0.00 176.35 177.35 1x5r s GLN 65 N 0.63 1.20 0.08 1.98 -2.07 -1.26 -4.69 119.66 115.54 1x5r s GLN 65 Ca 0.43 -0.43 -0.37 0.00 -1.82 0.00 0.00 55.36 53.18 1x5r s GLN 65 Cb -0.20 0.55 -0.17 0.00 -1.09 0.00 0.00 33.01 32.11 1x5r s GLN 65 CO 0.23 -0.52 1.26 0.28 -1.32 0.00 0.00 175.29 175.22 1x5r n VAL 66 N -0.32 0.14 0.00 3.63 0.31 -1.26 -1.02 118.33 119.81 1x5r n VAL 66 Ca -0.16 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1x5r n VAL 66 Cb 0.64 -0.66 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 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 2.26 2.51 3.53 2.92 0.00 -1.11 -4.90 105.19 110.40 1x5r n GLY 67 Ca 0.18 -0.60 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 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 0.29 0.17 -4.90 1.61 9.92 -0.19 -4.45 116.55 119.00 1x5r n ASP 68 Ca 0.00 0.96 -0.32 0.00 -0.53 0.00 0.00 54.79 54.90 1x5r n ASP 68 Cb 0.00 -1.23 -0.05 0.00 -0.64 0.00 0.00 41.12 39.20 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 -1.83 3.59 -0.36 -1.24 3.00 -1.26 -1.59 118.95 119.26 1x5r s ARG 69 Ca 0.64 -0.13 0.04 0.00 0.00 0.00 0.00 55.73 56.28 1x5r s ARG 69 Cb -0.58 -2.95 0.10 0.00 0.00 0.00 0.00 34.95 31.53 1x5r s ARG 69 CO 0.57 0.54 0.09 0.08 0.00 0.00 0.00 175.30 176.58 1x5r s VAL 70 N -1.52 2.18 0.00 3.52 1.01 -0.74 -3.75 120.40 121.10 1x5r s VAL 70 Ca 0.36 -2.40 -0.21 0.00 0.00 0.00 0.00 61.98 59.72 1x5r s VAL 70 Cb -0.13 -2.60 -0.12 0.00 0.00 0.00 0.00 36.38 33.53 1x5r s VAL 70 CO 0.23 -0.64 0.97 -0.07 0.00 0.00 0.00 175.10 175.58 1x5r h LEU 71 N 7.48 -0.66 -9.06 3.92 3.38 -1.36 -3.35 115.31 115.67 1x5r h LEU 71 Ca -0.05 0.02 -0.43 0.00 0.09 0.00 0.00 57.88 57.51 1x5r h LEU 71 Cb 1.00 0.17 -0.14 0.00 0.09 0.00 0.00 40.66 41.78 1x5r h LEU 71 CO 0.54 -0.31 -0.63 -0.94 0.09 0.00 0.00 178.44 177.18 1x5r s SER 72 N -4.27 2.07 -0.15 -0.43 1.04 -1.25 0.21 113.70 110.93 1x5r s SER 72 Ca -0.11 -1.31 -0.04 0.00 0.48 0.00 0.00 55.95 54.97 1x5r s SER 72 Cb 0.01 -0.03 0.05 0.00 0.10 0.00 0.00 66.02 66.16 1x5r s SER 72 CO 0.34 -0.57 0.06 -0.63 0.98 0.00 0.00 173.24 173.42 1x5r s ILE 73 N -3.37 0.17 0.00 -1.02 1.01 0.29 -3.03 121.20 115.25 1x5r s ILE 73 Ca 0.33 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.79 1x5r s ILE 73 Cb 0.07 -0.67 0.00 0.00 0.01 0.00 0.00 42.46 41.87 1x5r s ILE 73 CO 0.13 -0.14 0.00 -3.20 0.00 0.00 0.00 174.94 171.73 1x5r n ASN 74 N 5.19 -0.72 0.00 3.58 2.85 0.42 -2.23 115.26 124.35 1x5r n ASN 74 Ca -0.07 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.40 1x5r n ASN 74 Cb 0.49 -0.51 0.00 0.00 1.24 0.00 0.00 39.78 40.99 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 -2.08 0.95 3.49 8.20 0.00 -1.26 -4.78 105.19 109.71 1x5r n GLY 75 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 4.35 0.35 -0.61 -1.09 -0.95 -5.03 121.20 116.22 1x5r s ILE 76 Ca 0.00 -0.17 -0.28 0.00 -2.23 0.00 0.00 60.65 57.97 1x5r s ILE 76 Cb 0.00 -3.00 -0.10 0.00 -1.58 0.00 0.00 42.46 37.78 1x5r s ILE 76 CO 0.00 0.38 1.31 0.00 -1.23 0.00 0.00 174.94 175.40 1x5r s ALA 77 N 1.22 3.45 0.03 9.38 0.00 -1.26 0.11 121.76 134.68 1x5r s ALA 77 Ca 0.04 1.27 0.01 0.00 0.00 0.00 0.00 51.96 53.28 1x5r s ALA 77 Cb -0.14 -3.49 -0.26 0.00 0.00 0.00 0.00 23.12 19.23 1x5r s ALA 77 CO 0.03 -0.69 0.96 1.79 0.00 0.00 0.00 175.76 177.84 1x5r h THR 78 N 2.91 1.28 0.00 0.00 1.35 -0.50 -3.22 112.91 114.72 1x5r h THR 78 Ca -0.49 -2.95 0.00 0.00 -0.55 0.00 0.00 66.41 62.42 1x5r h THR 78 Cb 1.23 2.76 0.00 0.00 -1.73 0.00 0.00 68.15 70.41 1x5r h THR 78 CO 0.65 0.82 0.00 -0.62 -0.25 0.00 0.00 175.52 176.12 1x5r n GLU 79 N -3.39 0.07 -1.15 4.72 1.02 -1.26 -1.40 120.64 119.25 1x5r n GLU 79 Ca -0.12 0.41 -0.17 0.00 -0.02 0.00 0.00 57.16 57.26 1x5r n GLU 79 Cb 1.02 -1.67 0.15 0.00 -0.02 0.00 0.00 31.44 30.93 1x5r n GLU 79 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1x5r n ASP 80 N -1.81 3.93 -0.93 1.62 -0.08 -1.22 -4.40 116.55 113.67 1x5r n ASP 80 Ca 0.02 -3.75 0.00 0.00 -1.51 0.00 0.00 54.79 49.55 1x5r n ASP 80 Cb 0.13 -0.71 0.00 0.00 2.34 0.00 0.00 41.12 42.88 1x5r n ASP 80 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x5r n GLY 81 N -1.05 1.83 3.80 0.27 0.00 -0.49 -4.95 105.19 104.59 1x5r n GLY 81 Ca 0.46 -0.96 -0.22 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.86 3.46 0.08 2.61 -4.23 -1.26 -0.08 115.64 113.37 1x5r s THR 82 Ca 0.00 -1.52 -0.22 0.00 -1.18 0.00 0.00 61.69 58.77 1x5r s THR 82 Cb 0.00 -3.12 -0.08 0.00 1.34 0.00 0.00 72.50 70.64 1x5r s THR 82 CO 0.00 -0.21 1.37 -0.03 -0.54 0.00 0.00 174.62 175.21 1x5r h MET 83 N 1.42 -0.29 -0.60 3.99 4.05 -1.62 -1.77 114.93 120.10 1x5r h MET 83 Ca -0.45 0.02 0.09 0.00 -0.28 0.00 0.00 59.70 59.08 1x5r h MET 83 Cb 1.25 0.07 -0.11 0.00 -0.80 0.00 0.00 31.60 32.01 1x5r h MET 83 CO 0.60 -0.20 -0.43 1.49 0.23 0.00 0.00 176.91 178.61 1x5r h GLU 84 N -0.31 -0.20 -0.99 0.39 4.22 -1.88 0.33 114.58 116.14 1x5r h GLU 84 Ca 0.04 0.01 0.30 0.00 0.08 0.00 0.00 59.36 59.80 1x5r h GLU 84 Cb 0.42 0.05 -0.18 0.00 0.50 0.00 0.00 28.75 29.53 1x5r h GLU 84 CO -0.37 -0.14 0.15 0.93 -2.18 0.00 0.00 179.01 177.40 1x5r h GLU 85 N -0.21 0.02 0.41 1.92 4.39 -1.68 1.58 114.58 121.00 1x5r h GLU 85 Ca 0.19 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.87 1x5r h GLU 85 Cb 0.56 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1x5r h GLU 85 CO -0.70 0.01 -0.20 0.00 -1.16 0.00 0.00 179.01 176.97 1x5r h ALA 86 N 1.98 -0.55 -0.97 3.43 0.00 0.35 1.47 119.26 124.97 1x5r h ALA 86 Ca 0.65 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.46 1x5r h ALA 86 Cb 1.45 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 19.40 1x5r h ALA 86 CO -0.88 -0.80 0.64 -0.91 0.00 0.00 0.00 179.25 177.30 1x5r h ASN 87 N -0.55 1.11 -0.33 0.00 2.35 0.11 -1.69 115.58 116.57 1x5r h ASN 87 Ca -0.06 -0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.60 1x5r h ASN 87 Cb 0.42 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1x5r h ASN 87 CO 0.09 0.79 -0.06 -0.61 -1.65 0.00 0.00 177.43 175.99 1x5r h GLN 88 N 1.30 0.62 -0.94 0.81 5.75 0.24 -2.50 115.11 120.39 1x5r h GLN 88 Ca 0.36 -0.23 0.15 0.00 -0.15 0.00 0.00 58.65 58.78 1x5r h GLN 88 Cb -0.12 -0.04 -0.08 0.00 1.07 0.00 0.00 27.48 28.31 1x5r h GLN 88 CO -0.09 0.79 0.60 -0.07 -2.65 0.00 0.00 178.83 177.41 1x5r h LEU 89 N 0.40 0.74 -1.01 -2.39 3.38 0.27 0.47 115.31 117.18 1x5r h LEU 89 Ca 0.09 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 1x5r h LEU 89 Cb 0.55 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1x5r h LEU 89 CO 0.03 0.36 -0.24 -0.07 0.09 0.00 0.00 178.44 178.60 1x5r h LEU 90 N 0.77 0.42 0.11 1.67 3.38 -1.03 -2.44 115.31 118.18 1x5r h LEU 90 Ca 0.48 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.31 1x5r h LEU 90 Cb 0.70 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1x5r h LEU 90 CO -0.24 0.67 -0.05 -0.09 0.09 0.00 0.00 178.44 178.81 1x5r h ARG 91 N 0.37 -0.14 -1.00 1.13 2.43 0.35 0.01 114.38 117.53 1x5r h ARG 91 Ca 0.06 0.01 0.35 0.00 -0.81 0.00 0.00 59.98 59.58 1x5r h ARG 91 Cb 0.63 0.03 -0.16 0.00 -0.42 0.00 0.00 29.97 30.06 1x5r h ARG 91 CO 0.05 -0.09 0.56 0.22 -1.51 0.00 0.00 179.97 179.19 1x5r h ASP 92 N -0.15 0.46 -0.30 -3.80 3.58 -1.39 1.31 116.42 116.14 1x5r h ASP 92 Ca -0.01 0.21 0.01 0.00 0.42 0.00 0.00 57.03 57.65 1x5r h ASP 92 Cb 0.11 0.18 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 1x5r h ASP 92 CO 0.02 -0.22 0.19 0.00 -2.88 0.00 0.00 179.24 176.35 1x5r h ALA 93 N 1.89 0.38 -0.70 -0.78 0.00 -1.23 -1.63 119.26 117.19 1x5r h ALA 93 Ca 0.76 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.72 1x5r h ALA 93 Cb 1.82 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.45 1x5r h ALA 93 CO -0.65 -0.17 0.40 0.00 0.00 0.00 0.00 179.25 178.83 1x5r h ALA 94 N 1.12 0.93 0.00 0.00 0.00 0.36 0.52 119.26 122.19 1x5r h ALA 94 Ca 0.11 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1x5r h ALA 94 Cb -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1x5r h ALA 94 CO -0.04 0.10 0.00 -0.07 0.00 0.00 0.00 179.25 179.24 1x5r h LEU 95 N 0.74 0.00 -0.29 0.00 3.38 -0.36 0.42 115.31 119.20 1x5r h LEU 95 Ca 0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1x5r h LEU 95 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1x5r h LEU 95 CO -0.17 0.00 -0.73 0.00 0.09 0.00 0.00 178.44 177.63 1x5r n ALA 96 N -1.84 4.14 -1.44 1.53 0.00 0.16 -4.94 120.51 118.13 1x5r n ALA 96 Ca -0.01 -0.56 -0.15 0.00 0.00 0.00 0.00 53.44 52.73 1x5r n ALA 96 Cb 0.10 -0.86 -0.07 0.00 0.00 0.00 0.00 19.45 18.63 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 -1.07 0.00 -3.66 0.00 8.25 0.15 -4.94 115.22 113.95 1x5r n HIS 97 Ca 0.06 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.37 1x5r n HIS 97 Cb 0.37 -2.78 -0.07 0.00 1.12 0.00 0.00 29.99 28.63 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 -3.25 0.83 -0.14 -0.41 2.20 -0.98 -3.77 119.74 114.23 1x5r s LYS 98 Ca 0.00 -0.05 -0.29 0.00 -0.36 0.00 0.00 55.97 55.27 1x5r s LYS 98 Cb 0.00 0.38 0.08 0.00 -1.51 0.00 0.00 37.83 36.78 1x5r s LYS 98 CO 0.00 -0.25 0.76 0.54 -0.36 0.00 0.00 175.35 176.04 1x5r s VAL 99 N -1.40 0.00 -0.17 4.02 0.11 -0.54 -4.26 120.40 118.17 1x5r s VAL 99 Ca -0.12 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 58.93 1x5r s VAL 99 Cb -0.03 -1.00 -0.00 0.00 -1.53 0.00 0.00 36.38 33.82 1x5r s VAL 99 CO 0.06 0.00 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.00 1x5r s VAL 100 N -0.64 2.72 -0.14 2.04 1.01 -1.25 -0.75 120.40 123.37 1x5r s VAL 100 Ca -0.06 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 1x5r s VAL 100 Cb -0.02 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 1x5r s VAL 100 CO 0.05 0.50 -0.08 -0.76 0.00 0.00 0.00 175.10 174.82 1x5r s LEU 101 N 0.97 3.00 -0.27 3.92 2.01 -0.26 0.16 118.68 128.21 1x5r s LEU 101 Ca -0.02 -0.22 0.00 0.00 0.01 0.00 0.00 54.13 53.90 1x5r s LEU 101 Cb -0.15 -1.70 0.05 0.00 0.01 0.00 0.00 46.19 44.40 1x5r s LEU 101 CO -0.02 0.17 -0.06 -0.70 1.01 0.00 0.00 176.35 176.74 1x5r s GLU 102 N 0.37 2.41 0.22 1.70 2.12 -1.17 -1.58 118.70 122.77 1x5r s GLU 102 Ca -0.07 -1.26 -0.00 0.00 0.36 0.00 0.00 54.97 54.00 1x5r s GLU 102 Cb -0.15 -3.02 -0.04 0.00 0.26 0.00 0.00 34.13 31.18 1x5r s GLU 102 CO 0.04 -0.56 0.40 0.08 -0.54 0.00 0.00 175.26 174.68 1x5r s VAL 103 N 1.20 5.20 -0.05 3.70 1.01 -0.97 -0.93 120.40 129.56 1x5r s VAL 103 Ca -0.06 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.54 1x5r s VAL 103 Cb -0.19 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 1x5r s VAL 103 CO -0.03 -0.22 -0.14 -0.70 0.00 0.00 0.00 175.10 174.00 1x5r s GLU 104 N -3.47 2.49 0.00 2.72 2.12 -1.25 -2.71 118.70 118.61 1x5r s GLU 104 Ca 0.38 -0.70 0.00 0.00 0.36 0.00 0.00 54.97 55.01 1x5r s GLU 104 Cb -0.11 -2.37 0.00 0.00 0.26 0.00 0.00 34.13 31.91 1x5r s GLU 104 CO 0.30 0.62 0.00 1.97 -0.54 0.00 0.00 175.26 177.61 1x5r n PHE 105 N 2.28 0.00 -3.96 5.30 1.16 -0.98 -4.65 117.46 116.61 1x5r n PHE 105 Ca -0.17 0.00 -0.32 0.00 -1.87 0.00 0.00 57.45 55.09 1x5r n PHE 105 Cb 0.52 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.25 1x5r n PHE 105 CO 0.00 0.00 0.00 0.16 -1.87 0.00 0.00 176.76 175.05 1x5r s ASP 106 N 0.00 4.86 -1.18 5.98 1.47 -1.26 -1.47 116.67 125.07 1x5r s ASP 106 Ca 0.00 -2.18 -0.23 0.00 1.18 0.00 0.00 52.55 51.33 1x5r s ASP 106 Cb 0.00 -1.68 -0.10 0.00 -0.34 0.00 0.00 42.92 40.80 1x5r s ASP 106 CO 0.00 -0.41 1.95 -0.24 0.68 0.00 0.00 175.17 177.15 1x5r n SER 107 N 4.27 2.93 0.00 2.11 2.88 -1.26 -4.67 113.62 119.88 1x5r n SER 107 Ca 0.03 -2.68 0.00 0.00 -1.33 0.00 0.00 58.87 54.89 1x5r n SER 107 Cb 0.41 -1.74 0.00 0.00 -0.75 0.00 0.00 64.21 62.14 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 5.80 4.00 3.82 0.46 0.00 -1.26 -5.11 105.19 112.89 1x5r n GLY 108 Ca 0.45 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1x5r n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5r s PRO 109 N 3.63 2.67 0.24 1.61 0.04 -1.26 -5.08 135.00 136.85 1x5r s PRO 109 Ca 0.00 0.86 0.01 0.00 0.04 0.00 0.00 61.00 61.91 1x5r s PRO 109 Cb 0.00 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1x5r s PRO 109 CO 0.00 -1.26 0.17 -1.54 0.04 0.00 0.00 177.00 174.41 1x5r s SER 110 N -3.83 0.60 0.31 6.66 1.04 -1.26 -5.07 113.70 112.14 1x5r s SER 110 Ca 0.59 -1.50 0.00 0.00 0.48 0.00 0.00 55.95 55.52 1x5r s SER 110 Cb -0.14 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.41 1x5r s SER 110 CO 0.55 -0.90 0.00 -0.24 0.98 0.00 0.00 173.24 173.62 1x5r n SER 111 N -0.64 -2.60 0.00 7.02 2.88 -1.26 -5.33 113.62 113.70 1x5r n SER 111 Ca 0.04 0.59 0.00 0.00 -1.33 0.00 0.00 58.87 58.16 1x5r n SER 111 Cb 0.65 2.57 0.00 0.00 -0.75 0.00 0.00 64.21 66.68 1x5r n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42