#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 0.22 -3.67 1.61 3.41 -1.26 -4.88 113.62 109.05 1x5s n SER 2 Ca 0.00 0.55 0.01 0.00 -0.26 0.00 0.00 58.87 59.16 1x5s n SER 2 Cb 0.00 -0.60 0.01 0.00 -0.26 0.00 0.00 64.21 63.36 1x5s n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x5s s SER 3 N -3.42 -0.02 0.00 4.04 0.15 -1.26 -5.18 113.70 108.01 1x5s s SER 3 Ca 0.08 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.45 1x5s s SER 3 Cb 0.11 0.24 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 1x5s s SER 3 CO 0.37 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1x5s n GLY 4 N -0.71 2.68 3.61 9.45 0.00 -1.26 -5.17 105.19 113.78 1x5s n GLY 4 Ca -0.02 -1.07 -0.08 0.00 0.00 0.00 0.00 46.02 44.85 1x5s n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x5s s SER 5 N -0.05 -0.28 -0.27 1.61 0.15 -1.26 -5.15 113.70 108.46 1x5s s SER 5 Ca 0.00 0.38 -0.02 0.00 0.70 0.00 0.00 55.95 57.01 1x5s s SER 5 Cb 0.00 0.33 0.16 0.00 -1.71 0.00 0.00 66.02 64.80 1x5s s SER 5 CO 0.00 -0.20 0.48 -0.94 1.20 0.00 0.00 173.24 173.78 1x5s s SER 6 N -0.70 -0.49 -0.23 5.45 1.04 -1.26 -5.15 113.70 112.36 1x5s s SER 6 Ca 0.03 0.55 -0.26 0.00 0.48 0.00 0.00 55.95 56.74 1x5s s SER 6 Cb -0.02 1.59 0.10 0.00 0.10 0.00 0.00 66.02 67.79 1x5s s SER 6 CO -0.04 -0.28 0.87 -0.83 0.98 0.00 0.00 173.24 173.94 1x5s s GLY 7 N 2.69 -0.37 -0.53 7.32 0.00 -1.26 -5.12 107.32 110.06 1x5s s GLY 7 Ca 0.16 2.17 0.03 0.00 0.00 0.00 0.00 44.72 47.08 1x5s s GLY 7 CO -0.18 1.58 0.28 -3.16 0.00 0.00 0.00 173.10 171.62 1x5s s MET 8 N -0.08 2.04 0.06 2.90 0.00 -1.26 -5.08 119.30 117.88 1x5s s MET 8 Ca -0.01 -2.58 0.07 0.00 0.00 0.00 0.00 55.69 53.17 1x5s s MET 8 Cb -0.04 -3.38 -0.03 0.00 0.00 0.00 0.00 34.83 31.38 1x5s s MET 8 CO -0.00 -1.11 -0.15 0.00 0.00 0.00 0.00 175.02 173.75 1x5s s ALA 9 N -0.21 2.72 -1.03 3.16 0.00 -1.26 -5.05 121.76 120.09 1x5s s ALA 9 Ca 0.17 -1.21 -0.23 0.00 0.00 0.00 0.00 51.96 50.69 1x5s s ALA 9 Cb -0.25 -0.79 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 1x5s s ALA 9 CO -0.01 0.59 1.84 -1.54 0.00 0.00 0.00 175.76 176.64 1x5s s SER 10 N -1.68 5.50 0.07 0.00 1.04 -1.26 -4.93 113.70 112.43 1x5s s SER 10 Ca 0.17 -1.23 -0.37 0.00 0.48 0.00 0.00 55.95 55.00 1x5s s SER 10 Cb -0.11 -2.57 -0.17 0.00 0.10 0.00 0.00 66.02 63.27 1x5s s SER 10 CO 0.08 -2.48 1.32 -0.90 0.98 0.00 0.00 173.24 172.24 1x5s n ASP 11 N 12.71 1.47 -0.05 7.02 5.68 -1.26 -4.88 116.55 137.24 1x5s n ASP 11 Ca 0.41 1.12 -0.10 0.00 -0.50 0.00 0.00 54.79 55.72 1x5s n ASP 11 Cb 0.47 -1.16 -0.04 0.00 -1.14 0.00 0.00 41.12 39.26 1x5s n ASP 11 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1x5s n GLU 12 N 2.47 0.22 0.00 0.11 -0.58 -1.26 -5.02 120.64 116.58 1x5s n GLU 12 Ca 0.19 0.08 0.00 0.00 -0.42 0.00 0.00 57.16 57.01 1x5s n GLU 12 Cb 0.18 -0.94 0.00 0.00 -0.57 0.00 0.00 31.44 30.11 1x5s n GLU 12 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x5s n GLY 13 N 2.54 1.40 3.75 0.62 0.00 -1.26 -4.53 105.19 107.71 1x5s n GLY 13 Ca -0.19 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 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 4.77 -0.01 1.61 2.20 -1.26 -3.16 119.74 123.89 1x5s s LYS 14 Ca 0.00 1.60 0.07 0.00 -0.36 0.00 0.00 55.97 57.27 1x5s s LYS 14 Cb 0.00 -3.26 -0.02 0.00 -1.51 0.00 0.00 37.83 33.04 1x5s s LYS 14 CO 0.00 0.39 -0.21 -0.51 -0.36 0.00 0.00 175.35 174.66 1x5s s LEU 15 N -1.16 2.36 -0.35 5.43 1.43 -1.25 -2.54 118.68 122.60 1x5s s LEU 15 Ca 0.43 -0.39 -0.21 0.00 -1.03 0.00 0.00 54.13 52.93 1x5s s LEU 15 Cb -0.28 -1.43 0.00 0.00 0.03 0.00 0.00 46.19 44.52 1x5s s LEU 15 CO 0.35 0.31 0.65 0.12 0.23 0.00 0.00 176.35 178.01 1x5s s PHE 16 N -0.72 3.16 -0.18 0.29 5.36 0.10 -3.99 117.98 121.99 1x5s s PHE 16 Ca 0.11 0.40 0.00 0.00 -0.96 0.00 0.00 56.93 56.49 1x5s s PHE 16 Cb -0.10 -3.15 0.04 0.00 -0.34 0.00 0.00 43.02 39.47 1x5s s PHE 16 CO 0.01 -0.62 -0.10 0.08 -1.46 0.00 0.00 175.22 173.13 1x5s s VAL 17 N 2.74 1.52 0.16 3.12 1.01 -0.83 -1.16 120.40 126.96 1x5s s VAL 17 Ca 0.25 -0.86 0.11 0.00 0.00 0.00 0.00 61.98 61.48 1x5s s VAL 17 Cb -0.14 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1x5s s VAL 17 CO 0.15 0.21 -0.25 -0.83 0.00 0.00 0.00 175.10 174.38 1x5s s GLY 18 N 1.46 1.65 0.00 4.51 0.00 -1.22 -0.33 107.32 113.40 1x5s s GLY 18 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.17 1x5s s GLY 18 CO -0.08 -1.56 0.00 0.61 0.00 0.00 0.00 173.10 172.07 1x5s n GLY 19 N 0.56 0.32 3.00 0.20 0.00 0.31 -2.82 105.19 106.75 1x5s n GLY 19 Ca -0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.98 -4.72 0.99 4.77 0.69 -4.68 117.00 111.07 1x5s n LEU 20 Ca 0.00 0.67 -0.30 0.00 -0.03 0.00 0.00 56.01 56.35 1x5s n LEU 20 Cb 0.00 -0.79 0.13 0.00 -2.33 0.00 0.00 43.42 40.43 1x5s n LEU 20 CO 0.00 -4.11 0.67 -0.44 -1.33 0.00 0.00 177.39 172.18 1x5s s SER 21 N -0.92 3.60 0.44 -1.43 0.01 -1.26 -4.75 113.70 109.39 1x5s s SER 21 Ca 0.53 1.68 0.13 0.00 1.31 0.00 0.00 55.95 59.60 1x5s s SER 21 Cb -0.52 -2.34 0.96 0.00 0.21 0.00 0.00 66.02 64.33 1x5s s SER 21 CO 0.59 -2.58 1.98 2.19 0.41 0.00 0.00 173.24 175.83 1x5s h PHE 22 N -1.51 0.06 -0.72 2.43 -0.00 -1.94 -1.86 116.94 113.40 1x5s h PHE 22 Ca -0.47 -0.01 -0.35 0.00 -0.00 0.00 0.00 57.97 57.14 1x5s h PHE 22 Cb 1.27 -0.02 -0.21 0.00 -0.00 0.00 0.00 35.95 36.99 1x5s h PHE 22 CO 0.48 0.22 0.44 -3.47 -0.00 0.00 0.00 178.31 175.98 1x5s n ASP 23 N -4.32 3.68 -4.46 -0.68 2.03 -1.26 -4.75 116.55 106.79 1x5s n ASP 23 Ca -0.02 -3.16 -0.43 0.00 0.52 0.00 0.00 54.79 51.69 1x5s n ASP 23 Cb 0.24 -0.74 -0.07 0.00 -0.72 0.00 0.00 41.12 39.83 1x5s n ASP 23 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1x5s s THR 24 N -2.48 4.96 0.39 5.18 2.01 -0.70 -4.91 115.64 120.08 1x5s s THR 24 Ca 0.43 -0.41 0.08 0.00 0.31 0.00 0.00 61.69 62.09 1x5s s THR 24 Cb 0.36 -4.20 -0.05 0.00 0.01 0.00 0.00 72.50 68.62 1x5s s THR 24 CO 0.09 -0.65 0.14 0.20 -0.69 0.00 0.00 174.62 173.71 1x5s s ASN 25 N 2.33 4.42 0.31 3.53 0.01 -1.26 -4.85 114.94 119.44 1x5s s ASN 25 Ca 0.14 -1.01 0.04 0.00 -0.71 0.00 0.00 52.86 51.33 1x5s s ASN 25 Cb -0.18 -0.53 0.82 0.00 0.41 0.00 0.00 41.25 41.76 1x5s s ASN 25 CO 0.13 -0.44 1.60 -0.33 -1.51 0.00 0.00 177.10 176.54 1x5s h GLU 26 N 1.52 0.06 0.65 -0.60 5.08 -1.96 -0.94 114.58 118.39 1x5s h GLU 26 Ca -0.43 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.89 1x5s h GLU 26 Cb 1.25 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.49 1x5s h GLU 26 CO 0.68 0.04 -0.31 0.37 -1.00 0.00 0.00 179.01 178.79 1x5s h GLN 27 N 0.07 -0.84 -1.26 2.33 4.15 -1.99 -2.08 115.11 115.49 1x5s h GLN 27 Ca 0.62 0.06 0.45 0.00 0.77 0.00 0.00 58.65 60.54 1x5s h GLN 27 Cb 1.33 0.19 -0.14 0.00 0.21 0.00 0.00 27.48 29.07 1x5s h GLN 27 CO -0.82 -0.56 0.79 0.43 -1.93 0.00 0.00 178.83 176.75 1x5s n SER 28 N -4.79 0.22 0.02 -0.69 7.64 -0.44 0.24 113.62 115.83 1x5s n SER 28 Ca -0.11 1.37 -0.17 0.00 1.01 0.00 0.00 58.87 60.97 1x5s n SER 28 Cb 0.34 -0.67 -0.06 0.00 -1.01 0.00 0.00 64.21 62.81 1x5s n SER 28 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1x5s h LEU 29 N 0.00 0.82 -0.07 -3.43 3.38 -1.18 -2.88 115.31 111.95 1x5s h LEU 29 Ca 0.84 -0.59 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 1x5s h LEU 29 Cb 2.62 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 43.12 1x5s h LEU 29 CO -0.49 1.39 -0.08 -0.08 0.09 0.00 0.00 178.44 179.26 1x5s h GLU 30 N 0.42 0.19 -0.51 1.13 4.81 0.38 0.60 114.58 121.59 1x5s h GLU 30 Ca -0.08 -0.10 0.08 0.00 -0.13 0.00 0.00 59.36 59.13 1x5s h GLU 30 Cb 1.51 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.87 1x5s h GLU 30 CO 0.17 0.64 0.35 -0.56 -0.73 0.00 0.00 179.01 178.87 1x5s h GLN 31 N -0.25 0.34 0.00 1.92 3.07 -0.59 -1.02 115.11 118.59 1x5s h GLN 31 Ca 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.73 1x5s h GLN 31 Cb 0.61 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 28.09 1x5s h GLN 31 CO 0.02 0.23 0.00 0.28 0.09 0.00 0.00 178.83 179.45 1x5s n VAL 32 N -4.47 0.00 -0.14 1.86 0.31 -1.09 -4.02 118.33 110.79 1x5s n VAL 32 Ca 0.08 0.39 0.25 0.00 -0.01 0.00 0.00 64.34 65.04 1x5s n VAL 32 Cb 0.32 -1.22 0.40 0.00 -0.91 0.00 0.00 33.84 32.43 1x5s n VAL 32 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1x5s h PHE 33 N 0.00 0.00 -0.38 3.52 -1.00 -0.93 0.97 116.94 119.12 1x5s h PHE 33 Ca 0.00 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 1x5s h PHE 33 Cb 0.00 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.54 1x5s h PHE 33 CO 0.00 0.00 0.14 1.03 -1.61 0.00 0.00 178.31 177.87 1x5s h SER 34 N 0.00 0.53 -0.09 2.17 0.87 -1.32 -1.57 113.55 114.15 1x5s h SER 34 Ca 0.43 -0.18 0.03 0.00 -1.23 0.00 0.00 61.79 60.83 1x5s h SER 34 Cb 2.78 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 64.59 1x5s h SER 34 CO -0.00 0.58 0.09 0.07 -0.53 0.00 0.00 176.83 177.03 1x5s h LYS 35 N 0.46 0.00 0.18 2.24 2.10 0.87 -2.02 116.57 120.40 1x5s h LYS 35 Ca 0.12 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.50 1x5s h LYS 35 Cb 0.22 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 31.57 1x5s h LYS 35 CO -0.01 0.00 -1.26 1.88 -2.00 0.00 0.00 179.45 178.06 1x5s h TYR 36 N 0.00 0.69 0.00 0.07 -1.99 -1.44 -3.50 116.97 110.80 1x5s h TYR 36 Ca 0.04 -0.50 0.00 0.00 2.00 0.00 0.00 58.73 60.27 1x5s h TYR 36 Cb 0.23 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 38.93 1x5s h TYR 36 CO 0.00 1.49 0.00 0.41 -0.00 0.00 0.00 178.16 180.06 1x5s n GLY 37 N 1.72 2.32 3.93 3.88 0.00 -0.65 -4.74 105.19 111.66 1x5s n GLY 37 Ca -0.18 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.27 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 2.56 3.53 0.16 1.61 1.11 -1.26 -4.25 119.66 123.11 1x5s s GLN 38 Ca 0.00 -0.29 0.03 0.00 0.01 0.00 0.00 55.36 55.11 1x5s s GLN 38 Cb 0.00 -2.75 -0.05 0.00 -1.01 0.00 0.00 33.01 29.21 1x5s s GLN 38 CO 0.00 0.29 -0.04 0.42 0.01 0.00 0.00 175.29 175.96 1x5s s ILE 39 N -2.06 0.90 0.00 1.08 1.01 -1.26 -4.78 121.20 116.09 1x5s s ILE 39 Ca 0.40 -2.01 0.00 0.00 0.00 0.00 0.00 60.65 59.04 1x5s s ILE 39 Cb -0.10 -2.00 0.00 0.00 0.01 0.00 0.00 42.46 40.37 1x5s s ILE 39 CO 0.31 -0.61 0.00 -0.24 0.00 0.00 0.00 174.94 174.41 1x5s n SER 40 N -0.22 1.54 -3.48 3.58 2.88 0.34 -4.55 113.62 113.71 1x5s n SER 40 Ca -0.08 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.35 1x5s n SER 40 Cb 0.62 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.06 1x5s n SER 40 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1x5s s GLU 41 N -1.55 1.28 0.11 -1.46 2.12 -0.33 -4.97 118.70 113.90 1x5s s GLU 41 Ca 0.00 -0.51 0.06 0.00 0.36 0.00 0.00 54.97 54.88 1x5s s GLU 41 Cb 0.00 0.56 -0.04 0.00 0.26 0.00 0.00 34.13 34.92 1x5s s GLU 41 CO 0.00 -0.56 -0.14 0.08 -0.54 0.00 0.00 175.26 174.09 1x5s s VAL 42 N -3.69 1.32 -0.18 3.70 1.01 -1.26 0.13 120.40 121.43 1x5s s VAL 42 Ca 0.03 -1.65 -0.04 0.00 0.00 0.00 0.00 61.98 60.32 1x5s s VAL 42 Cb -0.02 -1.46 0.09 0.00 0.00 0.00 0.00 36.38 34.99 1x5s s VAL 42 CO -0.10 -0.37 0.25 -0.69 0.00 0.00 0.00 175.10 174.19 1x5s s VAL 43 N -1.96 -0.38 -0.29 2.92 1.01 0.26 -4.93 120.40 117.03 1x5s s VAL 43 Ca 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.07 1x5s s VAL 43 Cb -0.06 -0.61 0.05 0.00 0.00 0.00 0.00 36.38 35.76 1x5s s VAL 43 CO 0.03 -0.09 -0.03 -0.69 0.00 0.00 0.00 175.10 174.32 1x5s s VAL 44 N 2.38 2.79 0.43 2.92 1.01 -1.26 0.57 120.40 129.23 1x5s s VAL 44 Ca 0.06 -1.41 -0.25 0.00 0.00 0.00 0.00 61.98 60.37 1x5s s VAL 44 Cb -0.14 -2.59 -0.08 0.00 0.00 0.00 0.00 36.38 33.56 1x5s s VAL 44 CO -0.11 -0.06 1.30 -0.69 0.00 0.00 0.00 175.10 175.53 1x5s s VAL 45 N 1.22 2.60 0.01 2.92 1.01 -1.15 -4.86 120.40 122.15 1x5s s VAL 45 Ca -0.06 0.52 -0.04 0.00 0.00 0.00 0.00 61.98 62.40 1x5s s VAL 45 Cb -0.20 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 1x5s s VAL 45 CO -0.02 0.06 0.06 -0.54 0.00 0.00 0.00 175.10 174.66 1x5s s LYS 46 N -2.36 0.41 0.72 2.72 1.02 -1.26 -0.24 119.74 120.74 1x5s s LYS 46 Ca 0.59 -0.50 -0.12 0.00 0.02 0.00 0.00 55.97 55.96 1x5s s LYS 46 Cb -0.37 0.16 0.19 0.00 -0.52 0.00 0.00 37.83 37.28 1x5s s LYS 46 CO 0.48 -0.09 0.45 -3.47 -0.92 0.00 0.00 175.35 171.80 1x5s n ASP 47 N 1.50 -2.87 -0.00 2.83 -0.08 -1.18 -4.83 116.55 111.91 1x5s n ASP 47 Ca -0.23 -0.50 0.02 0.00 -1.51 0.00 0.00 54.79 52.57 1x5s n ASP 47 Cb 0.55 -0.50 -0.04 0.00 2.34 0.00 0.00 41.12 43.47 1x5s n ASP 47 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1x5s n ARG 48 N -3.81 0.33 -0.04 -0.67 1.74 -1.26 -3.25 116.66 109.71 1x5s n ARG 48 Ca 0.07 -0.05 -0.16 0.00 -0.77 0.00 0.00 57.85 56.94 1x5s n ARG 48 Cb 0.30 -1.13 -0.07 0.00 -1.02 0.00 0.00 32.46 30.54 1x5s n ARG 48 CO 0.00 0.00 0.00 1.05 -1.52 0.00 0.00 177.63 177.16 1x5s h GLU 49 N 0.00 0.72 0.00 5.56 4.11 -2.00 -3.37 114.58 119.60 1x5s h GLU 49 Ca -0.01 -0.55 0.00 0.00 0.07 0.00 0.00 59.36 58.87 1x5s h GLU 49 Cb 0.30 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1x5s h GLU 49 CO 0.00 1.17 -0.84 -2.37 0.07 0.00 0.00 179.01 177.04 1x5s n THR 50 N -4.06 0.00 -3.56 -1.06 5.66 -1.26 -5.03 114.28 104.97 1x5s n THR 50 Ca -0.07 -0.09 -0.22 0.00 -3.05 0.00 0.00 64.05 60.63 1x5s n THR 50 Cb 0.67 0.58 0.08 0.00 -1.55 0.00 0.00 70.33 70.11 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 -1.42 -7.20 -4.42 1.09 1.13 -1.20 -5.00 117.38 100.36 1x5s n GLN 51 Ca -0.00 0.81 -0.25 0.00 -1.94 0.00 0.00 57.00 55.62 1x5s n GLN 51 Cb 0.00 -5.83 -0.10 0.00 0.11 0.00 0.00 30.24 24.43 1x5s n GLN 51 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1x5s s ARG 52 N -5.96 1.73 -0.35 -1.09 6.06 -1.26 -4.83 118.95 113.25 1x5s s ARG 52 Ca 0.34 -1.61 -0.31 0.00 -2.50 0.00 0.00 55.73 51.65 1x5s s ARG 52 Cb -0.15 -1.87 -0.14 0.00 0.06 0.00 0.00 34.95 32.85 1x5s s ARG 52 CO 0.74 0.36 1.40 0.45 -2.50 0.00 0.00 175.30 175.75 1x5s n SER 53 N -0.32 0.61 -0.20 -2.12 2.88 -1.26 -3.10 113.62 110.11 1x5s n SER 53 Ca -0.08 0.57 -0.08 0.00 -1.33 0.00 0.00 58.87 57.95 1x5s n SER 53 Cb 0.58 -0.63 0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1x5s n SER 53 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1x5s h ARG 54 N 5.56 0.87 0.00 -1.46 2.43 -0.95 -3.46 114.38 117.36 1x5s h ARG 54 Ca -0.13 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1x5s h ARG 54 Cb 0.99 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 1x5s h ARG 54 CO 0.74 0.78 0.00 0.41 -1.51 0.00 0.00 179.97 180.40 1x5s n GLY 55 N -0.72 0.52 3.27 2.80 0.00 -1.26 -4.99 105.19 104.81 1x5s n GLY 55 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 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 1.43 0.00 1.61 -0.71 -1.26 -0.22 117.98 118.83 1x5s s PHE 56 Ca 0.00 -1.40 0.00 0.00 -1.04 0.00 0.00 56.93 54.49 1x5s s PHE 56 Cb 0.00 -0.71 0.00 0.00 -1.21 0.00 0.00 43.02 41.10 1x5s s PHE 56 CO 0.00 -0.61 0.00 0.41 -1.34 0.00 0.00 175.22 173.68 1x5s n GLY 57 N -0.44 1.43 3.63 1.99 0.00 0.55 -2.91 105.19 109.45 1x5s n GLY 57 Ca 0.02 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.90 -0.68 -0.21 1.61 0.40 0.19 -1.96 117.98 113.43 1x5s s PHE 58 Ca 0.00 1.66 -0.02 0.00 -0.60 0.00 0.00 56.93 57.98 1x5s s PHE 58 Cb 0.00 0.31 0.01 0.00 0.51 0.00 0.00 43.02 43.84 1x5s s PHE 58 CO 0.00 -0.33 -0.11 0.08 0.70 0.00 0.00 175.22 175.56 1x5s s VAL 59 N 0.34 2.77 -0.04 -0.44 1.01 -1.26 0.89 120.40 123.67 1x5s s VAL 59 Ca 0.01 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 60.96 1x5s s VAL 59 Cb -0.05 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 1x5s s VAL 59 CO -0.02 0.45 1.06 -0.89 0.00 0.00 0.00 175.10 175.70 1x5s s THR 60 N 1.38 4.63 -0.23 3.92 2.01 0.35 -3.85 115.64 123.85 1x5s s THR 60 Ca 0.05 1.90 -0.09 0.00 0.31 0.00 0.00 61.69 63.86 1x5s s THR 60 Cb -0.14 -4.22 -0.04 0.00 0.01 0.00 0.00 72.50 68.11 1x5s s THR 60 CO -0.07 0.07 0.11 -0.36 -0.69 0.00 0.00 174.62 173.67 1x5s s PHE 61 N 1.62 3.21 0.32 4.92 0.40 -1.19 -0.50 117.98 126.76 1x5s s PHE 61 Ca 0.52 -0.02 0.10 0.00 -0.60 0.00 0.00 56.93 56.92 1x5s s PHE 61 Cb -0.22 -2.21 0.95 0.00 0.51 0.00 0.00 43.02 42.05 1x5s s PHE 61 CO 0.23 -0.06 1.64 1.05 0.70 0.00 0.00 175.22 178.78 1x5s h GLU 62 N 7.57 0.22 -5.72 0.44 4.11 -1.86 -3.38 114.58 115.96 1x5s h GLU 62 Ca -0.37 -0.01 -0.66 0.00 0.07 0.00 0.00 59.36 58.38 1x5s h GLU 62 Cb 1.17 -0.05 -0.19 0.00 0.50 0.00 0.00 28.75 30.19 1x5s h GLU 62 CO 0.63 0.14 -0.65 1.21 0.07 0.00 0.00 179.01 180.41 1x5s s ASN 63 N -4.94 4.94 0.13 3.06 3.84 -1.26 -5.02 114.94 115.69 1x5s s ASN 63 Ca -0.11 -0.00 -0.22 0.00 0.21 0.00 0.00 52.86 52.74 1x5s s ASN 63 Cb 0.29 -1.54 -0.03 0.00 -0.55 0.00 0.00 41.25 39.42 1x5s s ASN 63 CO 0.78 0.28 1.68 0.40 -2.79 0.00 0.00 177.10 177.46 1x5s h ILE 64 N 4.60 0.67 0.26 -5.21 2.04 -1.80 -2.82 117.51 115.25 1x5s h ILE 64 Ca -0.42 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 1x5s h ILE 64 Cb 1.19 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1x5s h ILE 64 CO 0.58 0.00 -0.14 -0.78 0.00 0.00 0.00 178.15 177.81 1x5s h ASP 65 N -0.13 -0.34 -0.86 1.72 3.58 -1.94 -2.91 116.42 115.54 1x5s h ASP 65 Ca 0.09 0.02 0.16 0.00 0.42 0.00 0.00 57.03 57.71 1x5s h ASP 65 Cb 0.26 0.09 -0.15 0.00 1.72 0.00 0.00 39.33 41.25 1x5s h ASP 65 CO -0.21 -0.23 -0.25 0.47 -2.88 0.00 0.00 179.24 176.14 1x5s n ASP 66 N -5.26 -0.39 0.19 2.28 9.92 -1.08 -0.49 116.55 121.72 1x5s n ASP 66 Ca -0.09 1.48 -0.15 0.00 -0.53 0.00 0.00 54.79 55.49 1x5s n ASP 66 Cb 0.18 -0.41 -0.09 0.00 -0.64 0.00 0.00 41.12 40.16 1x5s n ASP 66 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x5s h ALA 67 N 1.54 -1.03 -1.46 2.24 0.00 -1.32 -1.02 119.26 118.21 1x5s h ALA 67 Ca 0.37 -0.14 0.43 0.00 0.00 0.00 0.00 54.91 55.58 1x5s h ALA 67 Cb 0.59 0.75 -0.07 0.00 0.00 0.00 0.00 17.79 19.06 1x5s h ALA 67 CO -0.87 -1.10 1.03 1.57 0.00 0.00 0.00 179.25 179.88 1x5s h LYS 68 N -0.78 0.04 -0.67 0.00 5.09 -0.76 0.68 116.57 120.16 1x5s h LYS 68 Ca -0.03 -0.00 0.02 0.00 0.09 0.00 0.00 60.65 60.73 1x5s h LYS 68 Cb 0.72 -0.01 -0.04 0.00 0.10 0.00 0.00 32.23 33.00 1x5s h LYS 68 CO -0.14 0.03 0.42 0.22 -2.09 0.00 0.00 179.45 177.89 1x5s h ASP 69 N 0.04 0.71 0.85 7.07 3.58 -0.38 -2.64 116.42 125.65 1x5s h ASP 69 Ca 0.73 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.17 1x5s h ASP 69 Cb 2.76 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 43.65 1x5s h ASP 69 CO -0.08 0.50 -1.14 0.00 -2.88 0.00 0.00 179.24 175.63 1x5s n ALA 70 N -2.30 2.58 0.24 -0.78 0.00 0.20 -3.84 120.51 116.61 1x5s n ALA 70 Ca 0.07 -0.27 -0.17 0.00 0.00 0.00 0.00 53.44 53.06 1x5s n ALA 70 Cb 0.07 -1.06 -0.09 0.00 0.00 0.00 0.00 19.45 18.37 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 -0.86 -0.54 0.00 1.85 -0.20 0.93 114.93 116.11 1x5s h MET 71 Ca 0.00 0.06 -0.05 0.00 -0.61 0.00 0.00 59.70 59.10 1x5s h MET 71 Cb 0.99 0.20 -0.02 0.00 0.43 0.00 0.00 31.60 33.20 1x5s h MET 71 CO 0.00 -0.58 0.14 0.52 -0.40 0.00 0.00 176.91 176.59 1x5s h MET 72 N -0.90 0.86 -0.00 0.39 2.07 -1.73 0.48 114.93 116.10 1x5s h MET 72 Ca -0.05 -0.20 0.03 0.00 -2.07 0.00 0.00 59.70 57.41 1x5s h MET 72 Cb 0.79 -0.12 -0.05 0.00 -1.87 0.00 0.00 31.60 30.36 1x5s h MET 72 CO -0.10 0.81 -0.38 0.00 1.07 0.00 0.00 176.91 178.31 1x5s h ALA 73 N 1.02 -0.58 -0.11 6.32 0.00 -1.62 -2.65 119.26 121.64 1x5s h ALA 73 Ca 0.17 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.84 1x5s h ALA 73 Cb 0.33 0.67 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1x5s h ALA 73 CO 0.00 -0.90 -0.77 0.52 0.00 0.00 0.00 179.25 178.10 1x5s h MET 74 N -0.53 0.59 -4.69 0.00 2.86 -0.78 -3.43 114.93 108.95 1x5s h MET 74 Ca 0.05 -0.49 -0.45 0.00 -2.06 0.00 0.00 59.70 56.75 1x5s h MET 74 Cb 0.62 0.11 -0.09 0.00 0.06 0.00 0.00 31.60 32.29 1x5s h MET 74 CO -0.30 1.12 1.68 -1.71 1.06 0.00 0.00 176.91 178.76 1x5s n ASN 75 N -3.88 0.07 -0.26 1.22 2.85 0.17 0.17 115.26 115.59 1x5s n ASN 75 Ca -0.06 0.08 0.00 0.00 -0.11 0.00 0.00 54.58 54.49 1x5s n ASN 75 Cb 0.74 -0.82 0.00 0.00 1.24 0.00 0.00 39.78 40.94 1x5s n ASN 75 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1x5s n GLY 76 N 5.99 0.93 3.64 8.20 0.00 -1.26 -4.82 105.19 117.87 1x5s n GLY 76 Ca 0.62 -0.53 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.49 2.20 -0.35 1.61 -0.14 0.45 -5.04 119.74 114.98 1x5s s LYS 77 Ca 0.00 -1.55 -0.06 0.00 -1.36 0.00 0.00 55.97 53.00 1x5s s LYS 77 Cb 0.00 -2.07 0.05 0.00 -1.68 0.00 0.00 37.83 34.13 1x5s s LYS 77 CO 0.00 0.27 0.12 -1.54 -0.76 0.00 0.00 175.35 173.44 1x5s s SER 78 N -3.70 5.32 -0.58 2.83 1.04 -1.26 -3.67 113.70 113.68 1x5s s SER 78 Ca 0.33 -1.26 -0.22 0.00 0.48 0.00 0.00 55.95 55.28 1x5s s SER 78 Cb -0.04 -1.87 0.06 0.00 0.10 0.00 0.00 66.02 64.27 1x5s s SER 78 CO 0.20 -0.36 0.83 0.54 0.98 0.00 0.00 173.24 175.43 1x5s s VAL 79 N 1.37 4.55 -0.98 5.02 0.11 -1.26 -4.17 120.40 125.04 1x5s s VAL 79 Ca -0.01 -0.27 -0.03 0.00 -2.93 0.00 0.00 61.98 58.75 1x5s s VAL 79 Cb -0.20 -4.51 0.00 0.00 -1.53 0.00 0.00 36.38 30.14 1x5s s VAL 79 CO 0.02 -1.13 0.84 0.47 -3.33 0.00 0.00 175.10 171.96 1x5s n ASP 80 N 7.05 -3.35 -2.20 3.54 9.92 -1.26 -3.64 116.55 126.61 1x5s n ASP 80 Ca -0.03 -0.46 -0.07 0.00 -0.53 0.00 0.00 54.79 53.69 1x5s n ASP 80 Cb 0.46 -4.08 0.04 0.00 -0.64 0.00 0.00 41.12 36.89 1x5s n ASP 80 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x5s n GLY 81 N -1.33 0.02 2.37 0.44 0.00 -1.26 -5.07 105.19 100.37 1x5s n GLY 81 Ca -0.14 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.38 0.77 -2.27 1.61 5.12 -1.24 -5.08 116.66 113.19 1x5s n ARG 82 Ca -0.09 -2.43 -0.03 0.00 -1.93 0.00 0.00 57.85 53.37 1x5s n ARG 82 Cb 0.57 1.19 0.05 0.00 -1.16 0.00 0.00 32.46 33.11 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 -0.68 1.72 -1.49 5.56 6.02 -1.26 -4.27 117.38 122.97 1x5s n GLN 83 Ca -0.06 -3.31 -0.30 0.00 -0.01 0.00 0.00 57.00 53.31 1x5s n GLN 83 Cb 0.43 -1.41 0.08 0.00 1.02 0.00 0.00 30.24 30.36 1x5s n GLN 83 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 1x5s s ILE 84 N -3.15 3.39 -0.05 5.09 -4.36 -1.24 -4.93 121.20 115.95 1x5s s ILE 84 Ca 0.34 0.45 -0.00 0.00 -0.26 0.00 0.00 60.65 61.18 1x5s s ILE 84 Cb 0.35 -3.14 0.03 0.00 1.25 0.00 0.00 42.46 40.95 1x5s s ILE 84 CO -0.05 -0.59 -0.01 -0.60 0.24 0.00 0.00 174.94 173.92 1x5s s ARG 85 N -5.06 0.59 -0.13 0.37 3.52 -1.13 -3.55 118.95 113.56 1x5s s ARG 85 Ca 0.60 0.04 -0.09 0.00 -0.13 0.00 0.00 55.73 56.14 1x5s s ARG 85 Cb -0.15 -0.79 -0.05 0.00 -1.56 0.00 0.00 34.95 32.41 1x5s s ARG 85 CO 0.55 -0.19 0.19 0.08 -0.81 0.00 0.00 175.30 175.12 1x5s s VAL 86 N 1.38 5.41 0.30 7.11 1.01 -1.26 -3.37 120.40 130.98 1x5s s VAL 86 Ca -0.04 0.32 -0.05 0.00 0.00 0.00 0.00 61.98 62.20 1x5s s VAL 86 Cb -0.13 -3.48 -0.00 0.00 0.00 0.00 0.00 36.38 32.76 1x5s s VAL 86 CO -0.02 0.55 0.43 -1.81 0.00 0.00 0.00 175.10 174.24 1x5s s ASP 87 N -0.53 0.55 -0.43 3.32 1.11 -0.31 -4.01 116.67 116.37 1x5s s ASP 87 Ca 0.15 -1.32 -0.29 0.00 0.18 0.00 0.00 52.55 51.26 1x5s s ASP 87 Cb -0.12 0.61 0.02 0.00 1.07 0.00 0.00 42.92 44.49 1x5s s ASP 87 CO 0.04 -1.20 1.23 -1.10 1.18 0.00 0.00 175.17 175.32 1x5s s GLN 88 N -3.45 3.72 -0.52 8.23 -0.21 -1.26 0.01 119.66 126.17 1x5s s GLN 88 Ca 0.29 0.78 -0.27 0.00 0.02 0.00 0.00 55.36 56.19 1x5s s GLN 88 Cb 0.00 -3.93 -0.04 0.00 1.00 0.00 0.00 33.01 30.05 1x5s s GLN 88 CO 0.16 -1.37 2.04 0.00 -2.12 0.00 0.00 175.29 174.00 1x5s s ALA 89 N 4.68 2.10 0.36 6.09 0.00 -1.05 -4.76 121.76 129.18 1x5s s ALA 89 Ca 0.52 -0.28 0.06 0.00 0.00 0.00 0.00 51.96 52.27 1x5s s ALA 89 Cb -0.10 -4.28 0.06 0.00 0.00 0.00 0.00 23.12 18.80 1x5s s ALA 89 CO 0.30 -3.89 0.49 0.41 0.00 0.00 0.00 175.76 173.07 1x5s n GLY 90 N 5.77 2.00 3.44 0.00 0.00 -1.26 -4.71 105.19 110.43 1x5s n GLY 90 Ca 0.26 -2.19 -0.18 0.00 0.00 0.00 0.00 46.02 43.91 1x5s n GLY 90 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x5s n LYS 91 N -1.76 -6.75 -4.00 1.61 3.00 -1.26 -4.99 118.16 104.00 1x5s n LYS 91 Ca 0.10 0.85 -0.32 0.00 -0.00 0.00 0.00 58.31 58.93 1x5s n LYS 91 Cb 0.38 -5.87 -0.15 0.00 0.00 0.00 0.00 35.03 29.39 1x5s n LYS 91 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1x5s s SER 92 N -4.25 4.77 -1.56 3.14 0.15 -1.26 -4.79 113.70 109.90 1x5s s SER 92 Ca 0.06 -2.02 -0.09 0.00 0.70 0.00 0.00 55.95 54.60 1x5s s SER 92 Cb -0.03 -1.64 0.09 0.00 -1.71 0.00 0.00 66.02 62.73 1x5s s SER 92 CO 0.73 -0.36 0.22 -1.54 1.20 0.00 0.00 173.24 173.49 1x5s n SER 93 N 4.32 -0.14 -4.41 5.45 3.41 -1.26 -4.78 113.62 116.20 1x5s n SER 93 Ca 0.00 -1.17 -0.39 0.00 -0.26 0.00 0.00 58.87 57.06 1x5s n SER 93 Cb 0.42 -1.47 0.03 0.00 -0.26 0.00 0.00 64.21 62.92 1x5s n SER 93 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1x5s n ASP 94 N -2.47 -1.71 -4.69 4.04 8.00 -1.26 -4.88 116.55 113.57 1x5s n ASP 94 Ca -0.14 0.73 -0.42 0.00 0.71 0.00 0.00 54.79 55.67 1x5s n ASP 94 Cb 0.55 -1.08 -0.03 0.00 -0.02 0.00 0.00 41.12 40.54 1x5s n ASP 94 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1x5s s ASN 95 N -1.11 7.20 -0.15 -2.24 3.84 -1.26 -5.04 114.94 116.18 1x5s s ASN 95 Ca 0.65 1.47 -0.05 0.00 0.21 0.00 0.00 52.86 55.14 1x5s s ASN 95 Cb -0.47 -2.53 -0.03 0.00 -0.55 0.00 0.00 41.25 37.66 1x5s s ASN 95 CO 0.58 -0.40 0.02 -0.60 -2.79 0.00 0.00 177.10 173.90 1x5s s ARG 96 N 1.85 3.65 -0.01 0.43 3.00 -1.26 -5.10 118.95 121.51 1x5s s ARG 96 Ca 0.46 -0.41 -0.02 0.00 -1.00 0.00 0.00 55.73 54.77 1x5s s ARG 96 Cb -0.18 -3.02 0.00 0.00 0.00 0.00 0.00 34.95 31.75 1x5s s ARG 96 CO 0.18 0.37 0.04 0.45 0.00 0.00 0.00 175.30 176.34 1x5s s SER 97 N 0.06 -0.00 -0.04 -2.12 0.15 -1.26 -5.15 113.70 105.34 1x5s s SER 97 Ca 0.03 -0.00 -0.01 0.00 0.70 0.00 0.00 55.95 56.66 1x5s s SER 97 Cb -0.13 0.10 0.03 0.00 -1.71 0.00 0.00 66.02 64.31 1x5s s SER 97 CO 0.02 -0.07 0.04 -0.83 1.20 0.00 0.00 173.24 173.60 1x5s s GLY 98 N -0.24 0.22 1.17 9.45 0.00 -1.26 -5.15 107.32 111.50 1x5s s GLY 98 Ca -0.03 0.18 -0.18 0.00 0.00 0.00 0.00 44.72 44.69 1x5s s GLY 98 CO -0.00 1.09 1.11 2.56 0.00 0.00 0.00 173.10 177.85 1x5s s PRO 99 N 1.73 -0.92 -0.02 2.90 0.04 -1.26 -5.08 135.00 132.38 1x5s s PRO 99 Ca -0.00 0.04 0.01 0.00 0.04 0.00 0.00 61.00 61.09 1x5s s PRO 99 Cb -0.12 -1.62 0.01 0.00 0.04 0.00 0.00 34.50 32.80 1x5s s PRO 99 CO -0.03 -3.54 -0.04 0.45 0.04 0.00 0.00 177.00 173.89 1x5s s SER 100 N -3.81 0.63 0.48 6.66 0.15 -1.26 -5.14 113.70 111.41 1x5s s SER 100 Ca 0.70 -0.09 -0.21 0.00 0.70 0.00 0.00 55.95 57.05 1x5s s SER 100 Cb -0.11 -0.20 -0.08 0.00 -1.71 0.00 0.00 66.02 63.92 1x5s s SER 100 CO 0.56 -0.00 1.07 -0.94 1.20 0.00 0.00 173.24 175.13 1x5s s SER 101 N 0.40 6.29 0.00 5.45 1.04 -1.26 -5.39 113.70 120.23 1x5s s SER 101 Ca -0.04 2.03 0.00 0.00 0.48 0.00 0.00 55.95 58.41 1x5s s SER 101 Cb -0.08 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.47 1x5s s SER 101 CO -0.00 -0.82 0.08 0.61 0.98 0.00 0.00 173.24 174.09