#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5s n SER 2 N 0.00 1.93 -0.03 1.61 2.88 -1.26 -4.70 113.62 114.05 1x5s n SER 2 Ca 0.00 0.37 -0.15 0.00 -1.33 0.00 0.00 58.87 57.76 1x5s n SER 2 Cb 0.00 -0.79 -0.11 0.00 -0.75 0.00 0.00 64.21 62.55 1x5s n SER 2 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1x5s h SER 3 N -1.00 0.19 -0.99 -3.46 0.87 -2.12 -3.49 113.55 103.56 1x5s h SER 3 Ca -0.24 -0.78 0.00 0.00 -1.23 0.00 0.00 61.79 59.54 1x5s h SER 3 Cb 1.16 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.06 1x5s h SER 3 CO -0.15 0.95 0.00 0.61 -0.53 0.00 0.00 176.83 177.71 1x5s n GLY 4 N 1.06 0.67 0.29 5.77 0.00 -1.26 -4.98 105.19 106.74 1x5s n GLY 4 Ca -0.10 -0.60 0.08 0.00 0.00 0.00 0.00 46.02 45.40 1x5s n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x5s h SER 5 N 0.00 0.03 -1.94 1.61 0.87 -1.98 -3.39 113.55 108.74 1x5s h SER 5 Ca 0.00 0.16 -0.60 0.00 -1.23 0.00 0.00 61.79 60.12 1x5s h SER 5 Cb 0.33 0.22 0.01 0.00 -0.44 0.00 0.00 62.40 62.51 1x5s h SER 5 CO 0.00 -0.07 1.25 -0.24 -0.53 0.00 0.00 176.83 177.25 1x5s n SER 6 N -5.17 3.35 0.00 6.23 2.88 -1.26 -4.88 113.62 114.77 1x5s n SER 6 Ca 0.17 0.72 0.00 0.00 -1.33 0.00 0.00 58.87 58.43 1x5s n SER 6 Cb 0.54 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 1x5s n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5s n GLY 7 N 5.03 0.07 3.59 0.46 0.00 -1.26 -4.94 105.19 108.13 1x5s n GLY 7 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 1x5s n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x5s s MET 8 N 0.00 2.98 -0.59 1.61 -1.94 -1.26 -4.84 119.30 115.25 1x5s s MET 8 Ca 0.00 1.88 -0.26 0.00 -1.71 0.00 0.00 55.69 55.60 1x5s s MET 8 Cb 0.00 -4.40 -0.10 0.00 2.01 0.00 0.00 34.83 32.35 1x5s s MET 8 CO 0.00 -2.28 2.44 0.00 -0.01 0.00 0.00 175.02 175.17 1x5s n ALA 9 N 12.27 0.67 -3.35 3.03 0.00 -1.26 -4.88 120.51 126.98 1x5s n ALA 9 Ca 0.30 -0.98 -0.13 0.00 0.00 0.00 0.00 53.44 52.64 1x5s n ALA 9 Cb 0.47 -3.15 -0.12 0.00 0.00 0.00 0.00 19.45 16.65 1x5s n ALA 9 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1x5s s SER 10 N 11.57 -0.26 0.33 0.00 0.01 -1.26 -5.17 113.70 118.92 1x5s s SER 10 Ca 1.01 0.51 0.02 0.00 1.31 0.00 0.00 55.95 58.80 1x5s s SER 10 Cb -0.26 0.48 -0.01 0.00 0.21 0.00 0.00 66.02 66.44 1x5s s SER 10 CO 0.25 -0.12 0.37 -0.62 0.41 0.00 0.00 173.24 173.54 1x5s s ASP 11 N 0.55 1.22 0.00 2.44 -1.08 -1.26 -5.08 116.67 113.46 1x5s s ASP 11 Ca -0.03 -1.60 0.00 0.00 -0.52 0.00 0.00 52.55 50.39 1x5s s ASP 11 Cb -0.05 0.60 0.00 0.00 -1.46 0.00 0.00 42.92 42.02 1x5s s ASP 11 CO -0.03 -1.17 0.00 -1.84 0.52 0.00 0.00 175.17 172.65 1x5s n GLU 12 N -0.58 1.04 0.00 4.34 0.00 -1.26 -5.05 120.64 119.13 1x5s n GLU 12 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.20 1x5s n GLU 12 Cb 0.62 -0.94 0.00 0.00 0.00 0.00 0.00 31.44 31.12 1x5s n GLU 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1x5s n GLY 13 N 3.09 4.19 3.81 -1.84 0.00 -1.26 -4.69 105.19 108.49 1x5s n GLY 13 Ca 0.00 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 1x5s n GLY 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x5s s LYS 14 N 0.00 3.93 0.02 1.61 2.47 -1.26 -3.69 119.74 122.82 1x5s s LYS 14 Ca 0.00 1.21 0.07 0.00 -1.56 0.00 0.00 55.97 55.69 1x5s s LYS 14 Cb 0.00 -2.13 -0.02 0.00 -1.46 0.00 0.00 37.83 34.22 1x5s s LYS 14 CO 0.00 -0.30 -0.22 -0.51 0.16 0.00 0.00 175.35 174.48 1x5s s LEU 15 N -3.54 2.12 -0.38 5.43 1.43 -1.24 -2.98 118.68 119.52 1x5s s LEU 15 Ca 0.64 -0.48 -0.17 0.00 -1.03 0.00 0.00 54.13 53.08 1x5s s LEU 15 Cb -0.13 -1.09 0.01 0.00 0.03 0.00 0.00 46.19 45.00 1x5s s LEU 15 CO 0.20 0.22 0.46 0.12 0.23 0.00 0.00 176.35 177.59 1x5s s PHE 16 N -0.68 3.17 -0.10 0.29 5.36 -0.38 -3.94 117.98 121.70 1x5s s PHE 16 Ca 0.09 -0.11 0.03 0.00 -0.96 0.00 0.00 56.93 55.98 1x5s s PHE 16 Cb -0.09 -2.90 -0.01 0.00 -0.34 0.00 0.00 43.02 39.69 1x5s s PHE 16 CO 0.01 -0.61 -0.20 0.08 -1.46 0.00 0.00 175.22 173.04 1x5s s VAL 17 N 2.25 2.43 0.04 3.12 1.01 -0.86 -2.95 120.40 125.45 1x5s s VAL 17 Ca 0.15 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.26 1x5s s VAL 17 Cb -0.16 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 1x5s s VAL 17 CO 0.14 0.55 -0.09 -0.83 0.00 0.00 0.00 175.10 174.86 1x5s s GLY 18 N 0.19 0.58 0.00 4.51 0.00 -1.19 -1.24 107.32 110.17 1x5s s GLY 18 Ca -0.12 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 43.84 1x5s s GLY 18 CO 0.07 -0.80 0.00 0.61 0.00 0.00 0.00 173.10 172.98 1x5s n GLY 19 N 1.62 2.52 2.98 0.20 0.00 0.10 -2.87 105.19 109.73 1x5s n GLY 19 Ca -0.21 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.31 1x5s n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x5s n LEU 20 N 0.00 -0.04 -4.79 0.99 4.77 -1.22 -4.80 117.00 111.91 1x5s n LEU 20 Ca 0.00 0.99 -0.32 0.00 -0.03 0.00 0.00 56.01 56.65 1x5s n LEU 20 Cb 0.00 -0.78 0.05 0.00 -2.33 0.00 0.00 43.42 40.36 1x5s n LEU 20 CO 0.00 -1.65 0.71 -0.94 -1.33 0.00 0.00 177.39 174.18 1x5s s SER 21 N -0.02 5.17 0.24 -1.43 1.04 -1.26 -4.56 113.70 112.87 1x5s s SER 21 Ca 0.77 1.79 -0.05 0.00 0.48 0.00 0.00 55.95 58.94 1x5s s SER 21 Cb -1.07 -2.52 0.43 0.00 0.10 0.00 0.00 66.02 62.96 1x5s s SER 21 CO 0.48 -1.59 1.74 2.19 0.98 0.00 0.00 173.24 177.05 1x5s h PHE 22 N -0.45 0.52 -0.80 5.02 -0.00 -1.89 0.70 116.94 120.04 1x5s h PHE 22 Ca -0.45 0.03 0.11 0.00 -0.00 0.00 0.00 57.97 57.67 1x5s h PHE 22 Cb 1.22 -0.12 -0.06 0.00 -0.00 0.00 0.00 35.95 37.00 1x5s h PHE 22 CO 0.59 0.09 0.52 0.22 -0.00 0.00 0.00 178.31 179.73 1x5s h ASP 23 N 0.46 0.62 -2.35 -0.68 3.58 -1.98 -3.38 116.42 112.69 1x5s h ASP 23 Ca 0.40 0.02 -0.53 0.00 0.42 0.00 0.00 57.03 57.34 1x5s h ASP 23 Cb 0.58 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.49 1x5s h ASP 23 CO -0.38 0.36 1.30 -0.89 -2.88 0.00 0.00 179.24 176.75 1x5s s THR 24 N -5.64 3.44 0.51 2.25 2.01 0.24 -4.91 115.64 113.54 1x5s s THR 24 Ca -0.10 0.37 0.07 0.00 0.31 0.00 0.00 61.69 62.34 1x5s s THR 24 Cb 0.21 -3.84 0.02 0.00 0.01 0.00 0.00 72.50 68.90 1x5s s THR 24 CO 0.78 -0.69 0.43 0.54 -0.69 0.00 0.00 174.62 174.98 1x5s s ASN 25 N 7.03 4.77 0.27 3.53 2.20 -1.26 -4.75 114.94 126.73 1x5s s ASN 25 Ca 0.72 -1.07 -0.02 0.00 -0.94 0.00 0.00 52.86 51.55 1x5s s ASN 25 Cb -0.16 0.11 0.59 0.00 -2.00 0.00 0.00 41.25 39.79 1x5s s ASN 25 CO 0.27 -0.99 1.64 -0.33 -2.94 0.00 0.00 177.10 174.75 1x5s h GLU 26 N 0.79 0.16 0.45 3.55 5.08 -1.97 -0.99 114.58 121.65 1x5s h GLU 26 Ca -0.37 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.95 1x5s h GLU 26 Cb 1.29 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1x5s h GLU 26 CO 0.56 0.11 -0.22 0.37 -1.00 0.00 0.00 179.01 178.83 1x5s h GLN 27 N 0.17 -0.58 -0.99 2.33 4.15 -1.98 -3.09 115.11 115.11 1x5s h GLN 27 Ca 0.49 0.04 0.11 0.00 0.77 0.00 0.00 58.65 60.06 1x5s h GLN 27 Cb 0.94 0.13 -0.13 0.00 0.21 0.00 0.00 27.48 28.63 1x5s h GLN 27 CO -0.66 -0.39 -0.52 0.43 -1.93 0.00 0.00 178.83 175.76 1x5s n SER 28 N -3.81 -0.92 -0.37 -0.69 7.64 -0.89 -0.31 113.62 114.26 1x5s n SER 28 Ca -0.07 1.76 0.00 0.00 1.01 0.00 0.00 58.87 61.57 1x5s n SER 28 Cb 0.24 -0.28 0.05 0.00 -1.01 0.00 0.00 64.21 63.21 1x5s n SER 28 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1x5s n LEU 29 N -5.31 -0.59 0.16 -3.43 4.77 -0.43 -0.42 117.00 111.75 1x5s n LEU 29 Ca 0.05 1.70 -0.14 0.00 -0.03 0.00 0.00 56.01 57.59 1x5s n LEU 29 Cb 0.30 -0.41 -0.07 0.00 -2.33 0.00 0.00 43.42 40.92 1x5s n LEU 29 CO -0.15 -1.54 0.69 -0.08 -1.33 0.00 0.00 177.39 174.98 1x5s h GLU 30 N 0.00 -0.52 -1.03 3.23 4.81 -0.58 0.39 114.58 120.88 1x5s h GLU 30 Ca 0.36 0.04 0.27 0.00 -0.13 0.00 0.00 59.36 59.90 1x5s h GLU 30 Cb 0.60 0.12 -0.12 0.00 0.63 0.00 0.00 28.75 29.98 1x5s h GLU 30 CO -0.97 -0.35 0.63 1.96 -0.73 0.00 0.00 179.01 179.54 1x5s h GLN 31 N -0.54 0.46 0.00 1.92 4.20 -0.06 0.17 115.11 121.26 1x5s h GLN 31 Ca 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1x5s h GLN 31 Cb 0.52 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1x5s h GLN 31 CO -0.08 0.30 0.00 0.28 -0.67 0.00 0.00 178.83 178.66 1x5s n VAL 32 N -4.83 0.00 -0.30 -0.54 0.31 -0.26 -3.78 118.33 108.93 1x5s n VAL 32 Ca 0.28 0.44 0.15 0.00 -0.01 0.00 0.00 64.34 65.20 1x5s n VAL 32 Cb 0.85 -1.33 0.30 0.00 -0.91 0.00 0.00 33.84 32.75 1x5s n VAL 32 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1x5s n PHE 33 N -1.83 0.63 -0.21 3.52 3.01 0.13 0.10 117.46 122.82 1x5s n PHE 33 Ca 0.00 1.06 0.01 0.00 1.01 0.00 0.00 57.45 59.52 1x5s n PHE 33 Cb 0.00 -1.20 0.09 0.00 -0.01 0.00 0.00 39.48 38.36 1x5s n PHE 33 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1x5s h SER 34 N 0.00 -0.37 -1.28 4.37 0.87 -0.81 0.29 113.55 116.61 1x5s h SER 34 Ca 0.56 0.17 0.37 0.00 -1.23 0.00 0.00 61.79 61.66 1x5s h SER 34 Cb 1.23 0.31 -0.08 0.00 -0.44 0.00 0.00 62.40 63.42 1x5s h SER 34 CO -0.80 -0.15 0.88 0.11 -0.53 0.00 0.00 176.83 176.34 1x5s h LYS 35 N 0.08 0.12 0.03 2.24 1.57 0.60 0.37 116.57 121.57 1x5s h LYS 35 Ca 0.32 -0.01 -0.20 0.00 -1.87 0.00 0.00 60.65 58.89 1x5s h LYS 35 Cb 0.52 -0.03 0.02 0.00 0.08 0.00 0.00 32.23 32.82 1x5s h LYS 35 CO -0.57 0.08 -0.81 1.88 -0.57 0.00 0.00 179.45 179.45 1x5s h TYR 36 N 0.12 0.75 0.00 -1.35 -1.99 -0.47 -3.49 116.97 110.53 1x5s h TYR 36 Ca 0.67 -0.43 0.00 0.00 2.00 0.00 0.00 58.73 60.97 1x5s h TYR 36 Cb 2.34 -0.08 0.00 0.00 2.00 0.00 0.00 36.73 40.99 1x5s h TYR 36 CO -0.00 1.27 0.00 0.41 -0.00 0.00 0.00 178.16 179.84 1x5s n GLY 37 N 1.19 2.47 3.36 3.88 0.00 0.13 -4.80 105.19 111.42 1x5s n GLY 37 Ca -0.11 0.17 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 1x5s n GLY 37 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x5s s GLN 38 N 3.48 1.32 0.12 1.61 -1.52 -1.26 -4.56 119.66 118.85 1x5s s GLN 38 Ca 0.00 -1.32 0.06 0.00 -1.95 0.00 0.00 55.36 52.15 1x5s s GLN 38 Cb 0.00 -1.72 -0.04 0.00 -0.22 0.00 0.00 33.01 31.04 1x5s s GLN 38 CO 0.00 0.40 -0.14 0.42 -0.25 0.00 0.00 175.29 175.72 1x5s s ILE 39 N -1.20 1.29 -0.01 1.08 1.01 -1.26 -4.67 121.20 117.44 1x5s s ILE 39 Ca 0.13 -1.70 -0.00 0.00 0.00 0.00 0.00 60.65 59.07 1x5s s ILE 39 Cb -0.10 -1.51 -0.01 0.00 0.01 0.00 0.00 42.46 40.86 1x5s s ILE 39 CO 0.06 -0.42 -0.01 -1.54 0.00 0.00 0.00 174.94 173.03 1x5s n SER 40 N 0.55 1.68 -3.62 3.58 3.41 0.86 -4.74 113.62 115.35 1x5s n SER 40 Ca -0.16 0.01 -0.10 0.00 -0.26 0.00 0.00 58.87 58.35 1x5s n SER 40 Cb 0.57 -0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.46 1x5s n SER 40 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1x5s s GLU 41 N -2.02 1.24 0.11 4.33 2.56 -0.96 -4.98 118.70 118.97 1x5s s GLU 41 Ca -0.01 -0.71 0.06 0.00 0.00 0.00 0.00 54.97 54.31 1x5s s GLU 41 Cb 0.00 0.52 -0.04 0.00 2.00 0.00 0.00 34.13 36.62 1x5s s GLU 41 CO 0.02 -0.52 -0.14 0.08 -0.56 0.00 0.00 175.26 174.14 1x5s s VAL 42 N -3.82 1.27 -0.15 3.70 1.01 -1.26 0.25 120.40 121.41 1x5s s VAL 42 Ca 0.05 -1.60 -0.04 0.00 0.00 0.00 0.00 61.98 60.39 1x5s s VAL 42 Cb 0.00 -1.41 0.07 0.00 0.00 0.00 0.00 36.38 35.04 1x5s s VAL 42 CO -0.09 -0.36 0.15 -0.69 0.00 0.00 0.00 175.10 174.12 1x5s s VAL 43 N -1.88 -0.22 -0.19 2.92 1.01 0.81 -4.98 120.40 117.87 1x5s s VAL 43 Ca 0.06 0.05 -0.02 0.00 0.00 0.00 0.00 61.98 62.07 1x5s s VAL 43 Cb -0.06 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.82 1x5s s VAL 43 CO 0.03 -0.10 -0.11 -0.69 0.00 0.00 0.00 175.10 174.23 1x5s s VAL 44 N 2.25 2.86 -0.03 2.92 1.01 -1.26 -0.78 120.40 127.37 1x5s s VAL 44 Ca 0.04 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 1x5s s VAL 44 Cb -0.14 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 1x5s s VAL 44 CO -0.09 0.48 1.13 -0.69 0.00 0.00 0.00 175.10 175.93 1x5s s VAL 45 N 1.26 4.39 0.28 2.92 1.01 -1.24 -5.00 120.40 124.02 1x5s s VAL 45 Ca 0.03 1.71 0.07 0.00 0.00 0.00 0.00 61.98 63.79 1x5s s VAL 45 Cb -0.14 -4.10 -0.06 0.00 0.00 0.00 0.00 36.38 32.08 1x5s s VAL 45 CO -0.05 0.04 -0.06 -0.54 0.00 0.00 0.00 175.10 174.49 1x5s s LYS 46 N 1.78 1.56 1.20 2.72 1.02 -1.26 -2.06 119.74 124.70 1x5s s LYS 46 Ca 0.54 -1.79 -0.20 0.00 0.02 0.00 0.00 55.97 54.54 1x5s s LYS 46 Cb -0.24 -1.17 0.30 0.00 -0.52 0.00 0.00 37.83 36.20 1x5s s LYS 46 CO 0.23 0.04 0.98 -3.47 -0.92 0.00 0.00 175.35 172.21 1x5s n ASP 47 N -0.59 -2.47 -0.05 2.83 2.03 -1.21 -4.85 116.55 112.24 1x5s n ASP 47 Ca -0.05 -1.06 -0.03 0.00 0.52 0.00 0.00 54.79 54.16 1x5s n ASP 47 Cb 0.63 -0.94 -0.11 0.00 -0.72 0.00 0.00 41.12 39.99 1x5s n ASP 47 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1x5s n ARG 48 N -4.85 1.46 -0.05 -0.67 5.12 -1.26 -3.46 116.66 112.95 1x5s n ARG 48 Ca 0.14 -0.04 -0.01 0.00 -1.93 0.00 0.00 57.85 56.01 1x5s n ARG 48 Cb 0.55 -1.35 -0.00 0.00 -1.16 0.00 0.00 32.46 30.50 1x5s n ARG 48 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 1x5s h GLU 49 N 0.00 0.00 0.00 5.56 4.81 -2.01 -3.40 114.58 119.54 1x5s h GLU 49 Ca -0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1x5s h GLU 49 Cb 1.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.93 1x5s h GLU 49 CO 0.02 0.00 -1.20 -2.37 -0.73 0.00 0.00 179.01 174.73 1x5s n THR 50 N -4.39 0.21 -3.86 0.32 5.66 -1.26 -4.98 114.28 105.98 1x5s n THR 50 Ca -0.02 -0.33 -0.27 0.00 -3.05 0.00 0.00 64.05 60.38 1x5s n THR 50 Cb 0.08 0.10 0.02 0.00 -1.55 0.00 0.00 70.33 68.98 1x5s n THR 50 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x5s n GLN 51 N -2.13 -4.82 -4.16 1.09 3.00 -1.22 -4.92 117.38 104.22 1x5s n GLN 51 Ca 0.01 0.56 -0.35 0.00 -0.01 0.00 0.00 57.00 57.21 1x5s n GLN 51 Cb 0.48 -5.21 -0.09 0.00 0.00 0.00 0.00 30.24 25.42 1x5s n GLN 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 1x5s s ARG 52 N -6.39 3.49 -0.47 -1.09 3.52 -1.26 -4.59 118.95 112.17 1x5s s ARG 52 Ca 0.32 -0.35 -0.42 0.00 -0.13 0.00 0.00 55.73 55.15 1x5s s ARG 52 Cb -0.16 -3.02 -0.18 0.00 -1.56 0.00 0.00 34.95 30.02 1x5s s ARG 52 CO 0.84 0.51 1.92 0.43 -0.81 0.00 0.00 175.30 178.18 1x5s n SER 53 N 2.77 0.78 0.11 -2.12 7.64 -1.26 -3.29 113.62 118.24 1x5s n SER 53 Ca -0.18 0.72 -0.05 0.00 1.01 0.00 0.00 58.87 60.38 1x5s n SER 53 Cb 0.53 -0.84 -0.02 0.00 -1.01 0.00 0.00 64.21 62.87 1x5s n SER 53 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1x5s h ARG 54 N 7.77 -0.28 0.00 1.43 2.47 -1.76 -3.46 114.38 120.55 1x5s h ARG 54 Ca -0.15 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.59 1x5s h ARG 54 Cb 1.32 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.71 1x5s h ARG 54 CO 1.00 -0.18 0.00 0.41 0.56 0.00 0.00 179.97 181.76 1x5s n GLY 55 N -1.15 0.00 3.83 0.04 0.00 -1.26 -4.97 105.19 101.68 1x5s n GLY 55 Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 1x5s n GLY 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1x5s s PHE 56 N 0.00 0.01 -0.73 1.61 -0.71 -1.26 0.00 117.98 116.91 1x5s s PHE 56 Ca 0.00 -0.54 0.00 0.00 -1.04 0.00 0.00 56.93 55.35 1x5s s PHE 56 Cb 0.00 0.76 0.00 0.00 -1.21 0.00 0.00 43.02 42.57 1x5s s PHE 56 CO 0.00 -1.26 0.00 0.41 -1.34 0.00 0.00 175.22 173.03 1x5s n GLY 57 N -0.55 -1.27 3.54 1.99 0.00 -0.38 -3.73 105.19 104.79 1x5s n GLY 57 Ca -0.06 -0.89 -0.15 0.00 0.00 0.00 0.00 46.02 44.92 1x5s n GLY 57 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x5s s PHE 58 N -2.86 -0.68 -0.13 1.61 0.40 0.04 -2.03 117.98 114.33 1x5s s PHE 58 Ca 0.00 1.50 0.03 0.00 -0.60 0.00 0.00 56.93 57.86 1x5s s PHE 58 Cb 0.00 0.30 0.01 0.00 0.51 0.00 0.00 43.02 43.84 1x5s s PHE 58 CO 0.00 -0.44 -0.22 0.08 0.70 0.00 0.00 175.22 175.34 1x5s s VAL 59 N -0.25 1.98 -0.12 -0.44 1.01 -1.25 -0.13 120.40 121.20 1x5s s VAL 59 Ca -0.04 -0.94 -0.24 0.00 0.00 0.00 0.00 61.98 60.76 1x5s s VAL 59 Cb -0.03 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.57 1x5s s VAL 59 CO 0.04 0.54 0.74 -0.89 0.00 0.00 0.00 175.10 175.52 1x5s s THR 60 N 0.73 4.98 -0.16 3.92 2.01 0.14 -3.63 115.64 123.63 1x5s s THR 60 Ca -0.10 1.47 -0.07 0.00 0.31 0.00 0.00 61.69 63.30 1x5s s THR 60 Cb -0.16 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 1x5s s THR 60 CO 0.00 0.15 0.08 -0.36 -0.69 0.00 0.00 174.62 173.80 1x5s s PHE 61 N 1.46 3.32 0.15 4.92 0.40 -1.24 -0.10 117.98 126.90 1x5s s PHE 61 Ca 0.36 0.21 -0.21 0.00 -0.60 0.00 0.00 56.93 56.69 1x5s s PHE 61 Cb -0.17 -2.03 0.05 0.00 0.51 0.00 0.00 43.02 41.38 1x5s s PHE 61 CO 0.15 0.31 1.26 0.39 0.70 0.00 0.00 175.22 178.04 1x5s n GLU 62 N 3.09 -0.29 -4.14 0.44 1.02 -1.26 -4.43 120.64 115.07 1x5s n GLU 62 Ca -0.17 1.25 -0.22 0.00 -0.02 0.00 0.00 57.16 57.99 1x5s n GLU 62 Cb 0.53 -1.84 -0.05 0.00 -0.02 0.00 0.00 31.44 30.06 1x5s n GLU 62 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1x5s s ASN 63 N -5.36 5.40 0.08 1.62 0.01 -1.26 -5.04 114.94 110.39 1x5s s ASN 63 Ca -0.10 -0.29 -0.18 0.00 -0.71 0.00 0.00 52.86 51.58 1x5s s ASN 63 Cb 0.12 -1.34 -0.09 0.00 0.41 0.00 0.00 41.25 40.36 1x5s s ASN 63 CO 0.54 -0.02 1.47 0.40 -1.51 0.00 0.00 177.10 177.98 1x5s h ILE 64 N 1.60 1.28 -0.13 0.60 2.04 -1.84 -3.19 117.51 117.88 1x5s h ILE 64 Ca -0.48 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 64.30 1x5s h ILE 64 Cb 1.24 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.78 1x5s h ILE 64 CO 0.61 0.34 0.08 -2.24 0.00 0.00 0.00 178.15 176.94 1x5s h ASP 65 N 0.24 0.14 -0.96 1.72 2.03 -1.95 -2.51 116.42 115.12 1x5s h ASP 65 Ca 0.06 -0.00 0.29 0.00 -0.73 0.00 0.00 57.03 56.65 1x5s h ASP 65 Cb 0.54 -0.03 -0.15 0.00 -0.83 0.00 0.00 39.33 38.86 1x5s h ASP 65 CO 0.03 0.10 0.45 0.44 -1.03 0.00 0.00 179.24 179.23 1x5s h ASP 66 N 0.17 0.33 0.76 4.15 5.19 -1.94 -0.62 116.42 124.46 1x5s h ASP 66 Ca 0.05 0.19 -0.04 0.00 -0.62 0.00 0.00 57.03 56.61 1x5s h ASP 66 Cb -0.02 0.19 0.01 0.00 0.18 0.00 0.00 39.33 39.68 1x5s h ASP 66 CO -0.01 -0.14 -0.37 0.00 -3.12 0.00 0.00 179.24 175.59 1x5s h ALA 67 N 1.83 -1.27 -0.84 3.45 0.00 -1.44 -2.55 119.26 118.44 1x5s h ALA 67 Ca 0.67 -0.22 0.24 0.00 0.00 0.00 0.00 54.91 55.60 1x5s h ALA 67 Cb 1.48 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 19.64 1x5s h ALA 67 CO -0.63 -1.20 0.65 1.57 0.00 0.00 0.00 179.25 179.64 1x5s h LYS 68 N -1.02 0.00 -0.75 0.00 2.10 -1.20 0.42 116.57 116.13 1x5s h LYS 68 Ca -0.10 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.54 1x5s h LYS 68 Cb 0.79 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.08 1x5s h LYS 68 CO 0.17 0.00 0.46 0.22 -2.00 0.00 0.00 179.45 178.30 1x5s h ASP 69 N 0.00 0.90 0.60 7.07 1.82 -0.74 -2.64 116.42 123.43 1x5s h ASP 69 Ca 0.40 -0.06 -0.16 0.00 -0.39 0.00 0.00 57.03 56.82 1x5s h ASP 69 Cb 1.69 -0.23 -0.03 0.00 0.68 0.00 0.00 39.33 41.44 1x5s h ASP 69 CO -0.00 0.69 -1.52 0.00 -1.61 0.00 0.00 179.24 176.79 1x5s n ALA 70 N -2.33 2.02 -0.10 -0.78 0.00 0.54 -3.96 120.51 115.90 1x5s n ALA 70 Ca 0.07 -0.59 -0.07 0.00 0.00 0.00 0.00 53.44 52.86 1x5s n ALA 70 Cb 0.05 -0.88 0.01 0.00 0.00 0.00 0.00 19.45 18.63 1x5s n ALA 70 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1x5s h MET 71 N 0.00 0.28 -0.56 0.00 1.85 -0.13 0.77 114.93 117.13 1x5s h MET 71 Ca -0.17 -0.02 -0.07 0.00 -0.61 0.00 0.00 59.70 58.83 1x5s h MET 71 Cb 1.55 -0.06 -0.02 0.00 0.43 0.00 0.00 31.60 33.49 1x5s h MET 71 CO 0.04 0.18 0.07 0.52 -0.40 0.00 0.00 176.91 177.32 1x5s h MET 72 N 0.29 0.94 0.68 0.39 2.07 -1.65 0.61 114.93 118.26 1x5s h MET 72 Ca 0.16 -0.26 -0.03 0.00 -2.07 0.00 0.00 59.70 57.49 1x5s h MET 72 Cb 0.12 -0.11 0.01 0.00 -1.87 0.00 0.00 31.60 29.75 1x5s h MET 72 CO -0.15 0.91 -0.33 0.00 1.07 0.00 0.00 176.91 178.42 1x5s h ALA 73 N 0.99 -0.91 -0.38 6.32 0.00 -1.57 -3.13 119.26 120.58 1x5s h ALA 73 Ca 0.17 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1x5s h ALA 73 Cb 0.44 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1x5s h ALA 73 CO 0.01 -0.99 -0.26 0.52 0.00 0.00 0.00 179.25 178.54 1x5s h MET 74 N -0.97 0.79 -5.19 0.00 2.86 -0.87 -3.42 114.93 108.13 1x5s h MET 74 Ca -0.09 -0.34 -0.54 0.00 -2.06 0.00 0.00 59.70 56.67 1x5s h MET 74 Cb 0.71 -0.03 -0.08 0.00 0.06 0.00 0.00 31.60 32.27 1x5s h MET 74 CO 0.15 0.96 1.69 -1.71 1.06 0.00 0.00 176.91 179.05 1x5s n ASN 75 N -4.10 0.46 -0.50 1.22 5.15 0.21 0.96 115.26 118.67 1x5s n ASN 75 Ca -0.00 0.23 0.00 0.00 -0.60 0.00 0.00 54.58 54.21 1x5s n ASN 75 Cb 0.45 -0.95 0.00 0.00 -0.53 0.00 0.00 39.78 38.76 1x5s n ASN 75 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1x5s n GLY 76 N 6.63 0.91 3.81 8.20 0.00 -1.26 -4.77 105.19 118.72 1x5s n GLY 76 Ca 0.63 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 1x5s n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5s s LYS 77 N -4.50 2.27 -0.25 1.61 -0.14 0.27 -5.03 119.74 113.96 1x5s s LYS 77 Ca 0.00 -1.93 0.01 0.00 -1.36 0.00 0.00 55.97 52.69 1x5s s LYS 77 Cb 0.00 -2.02 0.07 0.00 -1.68 0.00 0.00 37.83 34.20 1x5s s LYS 77 CO 0.00 -0.32 -0.03 -1.54 -0.76 0.00 0.00 175.35 172.70 1x5s s SER 78 N -4.06 3.91 -0.23 2.83 1.04 -1.26 -3.60 113.70 112.33 1x5s s SER 78 Ca 0.35 -1.29 -0.16 0.00 0.48 0.00 0.00 55.95 55.34 1x5s s SER 78 Cb 0.01 -1.17 -0.04 0.00 0.10 0.00 0.00 66.02 64.92 1x5s s SER 78 CO 0.20 -0.27 0.41 0.54 0.98 0.00 0.00 173.24 175.10 1x5s s VAL 79 N 1.39 5.18 -1.49 5.02 0.11 -1.26 -4.24 120.40 125.10 1x5s s VAL 79 Ca -0.03 0.69 -0.12 0.00 -2.93 0.00 0.00 61.98 59.59 1x5s s VAL 79 Cb -0.19 -3.73 0.07 0.00 -1.53 0.00 0.00 36.38 31.00 1x5s s VAL 79 CO -0.08 0.21 1.02 -0.67 -3.33 0.00 0.00 175.10 172.24 1x5s n ASP 80 N 4.83 -4.99 -2.19 3.54 -0.08 -1.26 -2.28 116.55 114.12 1x5s n ASP 80 Ca -0.08 -0.73 -0.09 0.00 -1.51 0.00 0.00 54.79 52.38 1x5s n ASP 80 Cb 0.51 -4.13 0.04 0.00 2.34 0.00 0.00 41.12 39.89 1x5s n ASP 80 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x5s n GLY 81 N -1.75 0.06 2.04 0.27 0.00 -1.26 -5.06 105.19 99.49 1x5s n GLY 81 Ca 0.02 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 1x5s n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x5s n ARG 82 N -2.56 1.31 -2.39 1.61 5.12 -0.97 -5.08 116.66 113.71 1x5s n ARG 82 Ca -0.13 -2.07 -0.04 0.00 -1.93 0.00 0.00 57.85 53.67 1x5s n ARG 82 Cb 0.58 0.55 0.05 0.00 -1.16 0.00 0.00 32.46 32.48 1x5s n ARG 82 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1x5s n GLN 83 N -0.72 1.87 -1.44 5.56 1.13 -1.26 -4.33 117.38 118.20 1x5s n GLN 83 Ca -0.12 -3.43 -0.29 0.00 -1.94 0.00 0.00 57.00 51.22 1x5s n GLN 83 Cb 0.36 -1.53 0.14 0.00 0.11 0.00 0.00 30.24 29.32 1x5s n GLN 83 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 1x5s s ILE 84 N -3.42 2.20 0.02 5.09 -4.36 -1.24 -4.99 121.20 114.50 1x5s s ILE 84 Ca 0.33 0.06 0.03 0.00 -0.26 0.00 0.00 60.65 60.81 1x5s s ILE 84 Cb 0.35 -2.74 -0.02 0.00 1.25 0.00 0.00 42.46 41.30 1x5s s ILE 84 CO -0.04 -0.08 -0.08 -0.60 0.24 0.00 0.00 174.94 174.37 1x5s s ARG 85 N -5.17 0.60 -0.03 0.37 6.06 -1.14 -3.66 118.95 115.99 1x5s s ARG 85 Ca 0.64 -0.53 0.06 0.00 -2.50 0.00 0.00 55.73 53.39 1x5s s ARG 85 Cb -0.16 -0.51 -0.01 0.00 0.06 0.00 0.00 34.95 34.33 1x5s s ARG 85 CO 0.55 0.12 -0.20 0.08 -2.50 0.00 0.00 175.30 173.34 1x5s s VAL 86 N -0.75 1.64 0.14 7.11 1.01 -1.26 -3.16 120.40 125.12 1x5s s VAL 86 Ca -0.02 -0.87 -0.25 0.00 0.00 0.00 0.00 61.98 60.84 1x5s s VAL 86 Cb -0.06 -1.38 0.07 0.00 0.00 0.00 0.00 36.38 35.01 1x5s s VAL 86 CO 0.00 0.46 0.81 -0.62 0.00 0.00 0.00 175.10 175.76 1x5s s ASP 87 N -0.33 -0.33 0.17 3.32 2.15 -1.15 -3.76 116.67 116.73 1x5s s ASP 87 Ca 0.04 -0.24 -0.34 0.00 0.43 0.00 0.00 52.55 52.44 1x5s s ASP 87 Cb -0.09 0.53 -0.14 0.00 -0.30 0.00 0.00 42.92 42.91 1x5s s ASP 87 CO 0.00 -0.93 1.44 0.00 -0.17 0.00 0.00 175.17 175.52 1x5s n GLN 88 N -0.39 1.84 0.00 4.34 10.64 -1.26 -1.24 117.38 131.31 1x5s n GLN 88 Ca -0.09 0.66 -0.02 0.00 -1.83 0.00 0.00 57.00 55.72 1x5s n GLN 88 Cb 0.62 -2.35 -0.01 0.00 -0.86 0.00 0.00 30.24 27.64 1x5s n GLN 88 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1x5s h ALA 89 N 4.93 -0.12 0.00 2.61 0.00 -1.83 -3.40 119.26 121.45 1x5s h ALA 89 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1x5s h ALA 89 Cb 1.28 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1x5s h ALA 89 CO 0.81 -0.12 0.00 0.41 0.00 0.00 0.00 179.25 180.36 1x5s n GLY 90 N 1.49 2.02 3.60 0.00 0.00 -1.26 -4.89 105.19 106.15 1x5s n GLY 90 Ca -0.01 -0.49 -0.04 0.00 0.00 0.00 0.00 46.02 45.47 1x5s n GLY 90 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x5s s LYS 91 N 0.00 0.66 0.17 1.61 0.00 -1.26 -4.50 119.74 116.42 1x5s s LYS 91 Ca 0.00 -0.30 0.10 0.00 0.00 0.00 0.00 55.97 55.78 1x5s s LYS 91 Cb 0.00 0.27 -0.04 0.00 0.00 0.00 0.00 37.83 38.06 1x5s s LYS 91 CO 0.00 -0.29 -0.23 0.45 0.00 0.00 0.00 175.35 175.28 1x5s s SER 92 N -2.57 3.15 0.03 0.03 0.15 -1.26 -5.09 113.70 108.14 1x5s s SER 92 Ca 0.09 -0.83 -0.31 0.00 0.70 0.00 0.00 55.95 55.60 1x5s s SER 92 Cb 0.00 -0.21 -0.10 0.00 -1.71 0.00 0.00 66.02 64.00 1x5s s SER 92 CO -0.05 0.08 1.94 -1.20 1.20 0.00 0.00 173.24 175.22 1x5s n SER 93 N 0.43 4.03 -3.84 5.45 7.64 -1.26 -4.97 113.62 121.10 1x5s n SER 93 Ca -0.14 0.93 -0.12 0.00 1.01 0.00 0.00 58.87 60.54 1x5s n SER 93 Cb 0.56 -1.50 -0.14 0.00 -1.01 0.00 0.00 64.21 62.12 1x5s n SER 93 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1x5s s ASP 94 N 4.17 -0.06 -0.30 6.43 -1.08 -1.26 -5.14 116.67 119.43 1x5s s ASP 94 Ca 0.89 0.13 -0.12 0.00 -0.52 0.00 0.00 52.55 52.93 1x5s s ASP 94 Cb -0.49 0.12 0.16 0.00 -1.46 0.00 0.00 42.92 41.25 1x5s s ASP 94 CO 0.43 -0.04 0.86 0.54 0.52 0.00 0.00 175.17 177.48 1x5s s ASN 95 N 0.19 -0.81 -0.29 -0.34 4.22 -1.26 -5.16 114.94 111.48 1x5s s ASN 95 Ca -0.01 0.99 -0.18 0.00 -2.14 0.00 0.00 52.86 51.51 1x5s s ASN 95 Cb -0.02 1.87 0.15 0.00 1.28 0.00 0.00 41.25 44.54 1x5s s ASN 95 CO -0.01 -0.15 1.07 -0.60 -2.04 0.00 0.00 177.10 175.37 1x5s s ARG 96 N 2.66 0.33 -0.03 3.55 3.52 -1.26 -5.18 118.95 122.54 1x5s s ARG 96 Ca -0.01 0.51 -0.29 0.00 -0.13 0.00 0.00 55.73 55.81 1x5s s ARG 96 Cb -0.09 0.09 0.08 0.00 -1.56 0.00 0.00 34.95 33.48 1x5s s ARG 96 CO -0.18 -0.06 0.75 -1.12 -0.81 0.00 0.00 175.30 173.88 1x5s s SER 97 N 0.98 -0.56 0.00 -2.12 0.01 -1.26 -5.17 113.70 105.59 1x5s s SER 97 Ca -0.05 0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.66 1x5s s SER 97 Cb -0.04 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.68 1x5s s SER 97 CO -0.13 -0.62 0.00 0.61 0.41 0.00 0.00 173.24 173.51 1x5s n GLY 98 N 0.53 2.85 3.61 3.44 0.00 -1.26 -5.17 105.19 109.19 1x5s n GLY 98 Ca -0.16 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1x5s n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5s s PRO 99 N 0.00 -0.94 0.12 1.61 0.04 -1.26 -5.09 135.00 129.49 1x5s s PRO 99 Ca 0.00 0.03 0.04 0.00 0.04 0.00 0.00 61.00 61.12 1x5s s PRO 99 Cb 0.00 -1.62 -0.04 0.00 0.04 0.00 0.00 34.50 32.88 1x5s s PRO 99 CO 0.00 -3.54 -0.11 0.45 0.04 0.00 0.00 177.00 173.84 1x5s s SER 100 N -3.81 1.67 0.35 6.66 0.15 -1.26 -5.16 113.70 112.29 1x5s s SER 100 Ca 0.70 -0.90 -0.08 0.00 0.70 0.00 0.00 55.95 56.37 1x5s s SER 100 Cb -0.11 -0.01 0.02 0.00 -1.71 0.00 0.00 66.02 64.21 1x5s s SER 100 CO 0.56 -0.28 0.59 -0.44 1.20 0.00 0.00 173.24 174.88 1x5s s SER 101 N -2.76 0.50 0.00 5.45 0.01 -1.26 -5.38 113.70 110.26 1x5s s SER 101 Ca 0.11 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 56.06 1x5s s SER 101 Cb -0.01 0.72 0.00 0.00 0.21 0.00 0.00 66.02 66.95 1x5s s SER 101 CO 0.01 -1.42 0.00 0.61 0.41 0.00 0.00 173.24 172.84