#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5s s SER 2 N 0.00 2.85 -0.48 1.61 0.15 -1.26 -5.06 113.70 111.52 1x5s s SER 2 Ca 0.00 -1.35 -0.28 0.00 0.70 0.00 0.00 55.95 55.03 1x5s s SER 2 Cb 0.00 -0.19 -0.09 0.00 -1.71 0.00 0.00 66.02 64.04 1x5s s SER 2 CO 0.00 -0.52 2.39 -0.24 1.20 0.00 0.00 173.24 176.07 1x5s n SER 3 N -0.75 2.25 0.00 5.45 2.88 -1.26 -4.77 113.62 117.42 1x5s n SER 3 Ca -0.03 -0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.28 1x5s n SER 3 Cb 0.66 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.64 1x5s n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x5s n GLY 4 N 6.08 2.10 3.37 0.46 0.00 -1.26 -5.15 105.19 110.78 1x5s n GLY 4 Ca 0.39 0.37 -0.33 0.00 0.00 0.00 0.00 46.02 46.45 1x5s n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x5s s SER 5 N 0.00 4.12 0.56 1.61 0.01 -1.26 -5.12 113.70 113.62 1x5s s SER 5 Ca 0.00 -0.33 -0.07 0.00 1.31 0.00 0.00 55.95 56.86 1x5s s SER 5 Cb 0.00 -1.65 -0.02 0.00 0.21 0.00 0.00 66.02 64.56 1x5s s SER 5 CO 0.00 0.13 0.89 -0.44 0.41 0.00 0.00 173.24 174.23 1x5s s SER 6 N 0.57 6.02 0.00 2.44 0.01 -1.26 -5.07 113.70 116.41 1x5s s SER 6 Ca -0.07 0.99 0.00 0.00 1.31 0.00 0.00 55.95 58.18 1x5s s SER 6 Cb -0.15 -2.13 0.00 0.00 0.21 0.00 0.00 66.02 63.95 1x5s s SER 6 CO 0.03 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.47 1x5s n GLY 7 N -2.50 4.08 4.09 3.44 0.00 -1.26 -4.95 105.19 108.09 1x5s n GLY 7 Ca 0.03 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 1x5s n GLY 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1x5s n MET 8 N 0.00 -0.79 -4.24 1.61 -0.00 -1.26 -4.88 117.12 107.56 1x5s n MET 8 Ca 0.00 0.11 -0.17 0.00 -0.00 0.00 0.00 57.70 57.64 1x5s n MET 8 Cb 0.00 -3.86 -0.14 0.00 -0.00 0.00 0.00 33.22 29.22 1x5s n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1x5s s ALA 9 N -3.12 0.59 -0.50 3.17 0.00 -1.26 -5.11 121.76 115.52 1x5s s ALA 9 Ca 0.60 -0.34 -0.17 0.00 0.00 0.00 0.00 51.96 52.05 1x5s s ALA 9 Cb -0.35 -0.14 0.07 0.00 0.00 0.00 0.00 23.12 22.71 1x5s s ALA 9 CO 0.87 0.13 0.52 -1.12 0.00 0.00 0.00 175.76 176.16 1x5s s SER 10 N -0.26 6.18 0.11 0.00 0.01 -1.26 -5.05 113.70 113.42 1x5s s SER 10 Ca 0.02 -1.22 0.09 0.00 1.31 0.00 0.00 55.95 56.15 1x5s s SER 10 Cb -0.03 -2.24 -0.04 0.00 0.21 0.00 0.00 66.02 63.92 1x5s s SER 10 CO -0.00 -0.80 -0.21 1.51 0.41 0.00 0.00 173.24 174.15 1x5s s ASP 11 N 2.81 3.69 0.00 2.44 1.47 -1.26 -4.98 116.67 120.84 1x5s s ASP 11 Ca 0.09 -0.59 0.00 0.00 1.18 0.00 0.00 52.55 53.22 1x5s s ASP 11 Cb -0.23 -0.46 0.00 0.00 -0.34 0.00 0.00 42.92 41.90 1x5s s ASP 11 CO 0.08 0.19 0.00 -0.62 0.68 0.00 0.00 175.17 175.51 1x5s n GLU 12 N 0.98 0.00 0.00 2.11 1.02 -1.26 -4.99 120.64 118.50 1x5s n GLU 12 Ca -0.16 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 1x5s n GLU 12 Cb 0.53 -0.51 0.00 0.00 -0.02 0.00 0.00 31.44 31.44 1x5s n GLU 12 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1x5s n GLY 13 N 2.83 3.00 3.77 0.62 0.00 -1.26 -4.52 105.19 109.62 1x5s n GLY 13 Ca 0.00 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.26 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 4.49 0.01 1.61 2.20 -1.26 -3.35 119.74 123.44 1x5s s LYS 14 Ca 0.00 1.52 0.07 0.00 -0.36 0.00 0.00 55.97 57.21 1x5s s LYS 14 Cb 0.00 -2.87 -0.02 0.00 -1.51 0.00 0.00 37.83 33.43 1x5s s LYS 14 CO 0.00 0.15 -0.22 -0.51 -0.36 0.00 0.00 175.35 174.41 1x5s s LEU 15 N -1.99 2.09 -0.33 5.43 1.43 -1.25 -1.36 118.68 122.70 1x5s s LEU 15 Ca 0.50 -0.46 -0.16 0.00 -1.03 0.00 0.00 54.13 52.98 1x5s s LEU 15 Cb -0.24 -1.12 -0.01 0.00 0.03 0.00 0.00 46.19 44.85 1x5s s LEU 15 CO 0.30 0.24 0.42 0.12 0.23 0.00 0.00 176.35 177.66 1x5s s PHE 16 N -0.63 3.21 -0.12 0.29 5.36 -0.74 -4.02 117.98 121.33 1x5s s PHE 16 Ca 0.09 0.15 0.01 0.00 -0.96 0.00 0.00 56.93 56.21 1x5s s PHE 16 Cb -0.09 -2.74 0.02 0.00 -0.34 0.00 0.00 43.02 39.87 1x5s s PHE 16 CO 0.00 -0.42 -0.14 0.08 -1.46 0.00 0.00 175.22 173.28 1x5s s VAL 17 N 2.16 1.45 0.16 3.12 1.01 -1.13 -3.07 120.40 124.10 1x5s s VAL 17 Ca 0.15 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.63 1x5s s VAL 17 Cb -0.16 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 1x5s s VAL 17 CO 0.12 0.43 -0.17 -0.83 0.00 0.00 0.00 175.10 174.65 1x5s s GLY 18 N 1.28 1.35 0.00 4.51 0.00 -1.24 -1.19 107.32 112.03 1x5s s GLY 18 Ca -0.01 -1.49 0.00 0.00 0.00 0.00 0.00 44.72 43.23 1x5s s GLY 18 CO -0.06 -1.55 0.00 0.61 0.00 0.00 0.00 173.10 172.10 1x5s n GLY 19 N 0.22 2.08 2.99 0.20 0.00 0.15 -3.56 105.19 107.27 1x5s n GLY 19 Ca -0.13 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.34 -4.77 0.99 4.77 -1.22 -4.82 117.00 111.60 1x5s n LEU 20 Ca 0.00 0.99 -0.40 0.00 -0.03 0.00 0.00 56.01 56.57 1x5s n LEU 20 Cb 0.00 -0.80 -0.01 0.00 -2.33 0.00 0.00 43.42 40.28 1x5s n LEU 20 CO 0.00 -1.93 0.98 -0.94 -1.33 0.00 0.00 177.39 174.17 1x5s s SER 21 N -0.27 6.46 0.35 -1.43 1.04 -1.26 -4.66 113.70 113.93 1x5s s SER 21 Ca 0.71 2.70 0.13 0.00 0.48 0.00 0.00 55.95 59.97 1x5s s SER 21 Cb -1.00 -2.64 1.00 0.00 0.10 0.00 0.00 66.02 63.47 1x5s s SER 21 CO 0.49 -0.75 1.72 0.15 0.98 0.00 0.00 173.24 175.83 1x5s h PHE 22 N 2.93 0.89 -0.50 5.02 3.57 -1.89 0.55 116.94 127.52 1x5s h PHE 22 Ca -0.49 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 60.99 1x5s h PHE 22 Cb 1.24 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 1x5s h PHE 22 CO 0.54 0.01 0.13 0.22 -2.23 0.00 0.00 178.31 176.98 1x5s h ASP 23 N 0.47 0.69 -2.15 0.41 3.58 -1.99 -3.42 116.42 114.02 1x5s h ASP 23 Ca 0.66 -0.11 -0.58 0.00 0.42 0.00 0.00 57.03 57.41 1x5s h ASP 23 Cb 1.44 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 42.30 1x5s h ASP 23 CO -0.45 0.68 1.43 -0.89 -2.88 0.00 0.00 179.24 177.13 1x5s s THR 24 N -5.21 3.10 0.49 2.25 2.01 0.19 -4.96 115.64 113.51 1x5s s THR 24 Ca -0.09 0.11 0.06 0.00 0.31 0.00 0.00 61.69 62.08 1x5s s THR 24 Cb 0.16 -3.13 0.01 0.00 0.01 0.00 0.00 72.50 69.54 1x5s s THR 24 CO 0.79 -0.08 0.37 0.20 -0.69 0.00 0.00 174.62 175.20 1x5s s ASN 25 N 7.64 4.72 0.26 3.53 0.01 -1.26 -4.80 114.94 125.03 1x5s s ASN 25 Ca 0.96 -1.07 -0.11 0.00 -0.71 0.00 0.00 52.86 51.92 1x5s s ASN 25 Cb -0.32 -0.01 0.38 0.00 0.41 0.00 0.00 41.25 41.72 1x5s s ASN 25 CO 0.35 -0.89 1.56 -0.33 -1.51 0.00 0.00 177.10 176.28 1x5s h GLU 26 N 0.93 -0.00 0.39 -0.60 3.07 -1.96 -0.77 114.58 115.63 1x5s h GLU 26 Ca -0.39 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.45 1x5s h GLU 26 Cb 1.28 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.19 1x5s h GLU 26 CO 0.59 -0.00 -0.23 0.37 -1.40 0.00 0.00 179.01 178.34 1x5s h GLN 27 N -0.00 -0.55 -0.90 2.33 4.15 -1.98 -2.69 115.11 115.45 1x5s h GLN 27 Ca 0.43 0.04 0.12 0.00 0.77 0.00 0.00 58.65 60.01 1x5s h GLN 27 Cb 0.68 0.13 -0.13 0.00 0.21 0.00 0.00 27.48 28.36 1x5s h GLN 27 CO -0.99 -0.37 -0.41 0.43 -1.93 0.00 0.00 178.83 175.56 1x5s n SER 28 N -3.71 -0.70 -0.11 -0.69 7.64 -0.60 -0.70 113.62 114.74 1x5s n SER 28 Ca -0.07 1.59 -0.12 0.00 1.01 0.00 0.00 58.87 61.28 1x5s n SER 28 Cb 0.24 -0.31 -0.09 0.00 -1.01 0.00 0.00 64.21 63.03 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 -1.63 -0.22 -3.43 3.38 -1.12 -1.49 115.31 110.80 1x5s h LEU 29 Ca 0.26 0.21 0.06 0.00 0.09 0.00 0.00 57.88 58.50 1x5s h LEU 29 Cb 0.49 0.66 -0.07 0.00 0.09 0.00 0.00 40.66 41.83 1x5s h LEU 29 CO -0.88 -0.36 -0.26 -0.08 0.09 0.00 0.00 178.44 176.95 1x5s h GLU 30 N -0.36 -0.27 -1.10 1.13 4.22 -0.57 -0.12 114.58 117.51 1x5s h GLU 30 Ca 0.06 0.02 0.35 0.00 0.08 0.00 0.00 59.36 59.87 1x5s h GLU 30 Cb 0.53 0.06 -0.14 0.00 0.50 0.00 0.00 28.75 29.70 1x5s h GLU 30 CO -0.51 -0.18 0.66 1.96 -2.18 0.00 0.00 179.01 178.76 1x5s h GLN 31 N -0.28 0.25 0.00 1.92 1.08 -0.19 0.20 115.11 118.08 1x5s h GLN 31 Ca 0.13 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 1x5s h GLN 31 Cb 0.48 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.85 1x5s h GLN 31 CO -0.38 0.16 0.00 0.28 -0.95 0.00 0.00 178.83 177.94 1x5s n VAL 32 N -4.90 0.00 -0.56 -0.54 0.31 -0.18 -3.83 118.33 108.64 1x5s n VAL 32 Ca 0.33 0.61 0.45 0.00 -0.01 0.00 0.00 64.34 65.72 1x5s n VAL 32 Cb 1.11 -1.50 0.72 0.00 -0.91 0.00 0.00 33.84 33.26 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 -1.80 0.43 -0.23 3.52 3.01 -0.49 0.99 117.46 122.89 1x5s n PHE 33 Ca 0.00 0.43 0.03 0.00 1.01 0.00 0.00 57.45 58.92 1x5s n PHE 33 Cb 0.00 -0.89 0.14 0.00 -0.01 0.00 0.00 39.48 38.73 1x5s n PHE 33 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1x5s h SER 34 N 0.00 0.19 0.21 4.37 4.64 -0.72 0.37 113.55 122.60 1x5s h SER 34 Ca 0.89 0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 62.30 1x5s h SER 34 Cb 3.15 0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 65.34 1x5s h SER 34 CO -0.29 0.09 -0.06 0.07 -0.87 0.00 0.00 176.83 175.77 1x5s h LYS 35 N 0.39 0.00 0.16 4.77 2.10 0.51 -2.65 116.57 121.84 1x5s h LYS 35 Ca 0.36 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.73 1x5s h LYS 35 Cb 0.52 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.86 1x5s h LYS 35 CO -0.38 0.06 -1.35 1.88 -2.00 0.00 0.00 179.45 177.66 1x5s h TYR 36 N 0.00 0.61 -0.18 0.07 -1.99 -0.43 -3.50 116.97 111.55 1x5s h TYR 36 Ca -0.00 -0.44 0.00 0.00 2.00 0.00 0.00 58.73 60.29 1x5s h TYR 36 Cb 0.18 -0.02 0.00 0.00 2.00 0.00 0.00 36.73 38.89 1x5s h TYR 36 CO 0.00 1.53 0.00 0.41 -0.00 0.00 0.00 178.16 180.10 1x5s n GLY 37 N 1.75 2.00 3.89 3.88 0.00 0.31 -4.79 105.19 112.22 1x5s n GLY 37 Ca -0.21 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 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 1.63 3.69 0.08 1.61 -1.52 -1.26 -4.11 119.66 119.78 1x5s s GLN 38 Ca 0.00 0.23 0.02 0.00 -1.95 0.00 0.00 55.36 53.66 1x5s s GLN 38 Cb 0.00 -2.51 -0.04 0.00 -0.22 0.00 0.00 33.01 30.25 1x5s s GLN 38 CO 0.00 0.06 -0.07 0.42 -0.25 0.00 0.00 175.29 175.46 1x5s s ILE 39 N -2.28 0.64 -0.01 1.08 1.01 -1.26 -4.72 121.20 115.65 1x5s s ILE 39 Ca 0.47 -1.72 -0.00 0.00 0.00 0.00 0.00 60.65 59.40 1x5s s ILE 39 Cb -0.10 -1.41 -0.01 0.00 0.01 0.00 0.00 42.46 40.95 1x5s s ILE 39 CO 0.32 -0.76 -0.01 -0.24 0.00 0.00 0.00 174.94 174.25 1x5s n SER 40 N 0.34 2.39 -3.55 3.58 2.88 0.12 -4.58 113.62 114.80 1x5s n SER 40 Ca -0.15 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.33 1x5s n SER 40 Cb 0.59 -0.03 -0.02 0.00 -0.75 0.00 0.00 64.21 64.00 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 -2.03 0.59 0.12 -1.46 2.12 -0.60 -4.97 118.70 112.47 1x5s s GLU 41 Ca -0.02 -0.22 0.08 0.00 0.36 0.00 0.00 54.97 55.18 1x5s s GLU 41 Cb 0.01 0.27 -0.04 0.00 0.26 0.00 0.00 34.13 34.63 1x5s s GLU 41 CO 0.03 -0.26 -0.20 0.08 -0.54 0.00 0.00 175.26 174.37 1x5s s VAL 42 N -2.80 1.71 -0.07 3.70 1.01 -1.26 0.94 120.40 123.64 1x5s s VAL 42 Ca 0.07 -1.64 -0.03 0.00 0.00 0.00 0.00 61.98 60.39 1x5s s VAL 42 Cb -0.01 -1.62 0.04 0.00 0.00 0.00 0.00 36.38 34.79 1x5s s VAL 42 CO -0.07 -0.14 0.08 -0.69 0.00 0.00 0.00 175.10 174.28 1x5s s VAL 43 N -1.42 -0.13 -0.21 2.92 1.01 0.73 -4.97 120.40 118.34 1x5s s VAL 43 Ca 0.09 0.32 -0.04 0.00 0.00 0.00 0.00 61.98 62.35 1x5s s VAL 43 Cb -0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 36.38 36.04 1x5s s VAL 43 CO 0.05 0.10 -0.05 -0.69 0.00 0.00 0.00 175.10 174.51 1x5s s VAL 44 N 2.18 3.36 0.02 2.92 1.01 -1.26 -0.59 120.40 128.04 1x5s s VAL 44 Ca 0.04 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.22 1x5s s VAL 44 Cb -0.13 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 1x5s s VAL 44 CO -0.04 0.43 1.19 -0.69 0.00 0.00 0.00 175.10 175.99 1x5s s VAL 45 N 1.34 4.15 0.12 2.92 1.01 -1.24 -5.01 120.40 123.70 1x5s s VAL 45 Ca 0.04 1.53 0.01 0.00 0.00 0.00 0.00 61.98 63.57 1x5s s VAL 45 Cb -0.14 -3.98 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1x5s s VAL 45 CO -0.02 0.08 -0.04 -0.54 0.00 0.00 0.00 175.10 174.58 1x5s s LYS 46 N 1.40 0.89 0.99 2.72 1.02 -1.26 -2.35 119.74 123.16 1x5s s LYS 46 Ca 0.58 -1.38 -0.17 0.00 0.02 0.00 0.00 55.97 55.02 1x5s s LYS 46 Cb -0.28 -0.15 0.24 0.00 -0.52 0.00 0.00 37.83 37.13 1x5s s LYS 46 CO 0.27 -0.07 0.95 -3.47 -0.92 0.00 0.00 175.35 172.10 1x5s n ASP 47 N -0.08 -1.58 -0.02 2.83 2.03 -1.25 -4.90 116.55 113.58 1x5s n ASP 47 Ca -0.10 -1.12 0.01 0.00 0.52 0.00 0.00 54.79 54.10 1x5s n ASP 47 Cb 0.62 -0.84 -0.08 0.00 -0.72 0.00 0.00 41.12 40.09 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 -4.14 1.11 -0.06 -0.67 1.74 -1.26 -3.44 116.66 109.95 1x5s n ARG 48 Ca 0.13 -0.06 -0.06 0.00 -0.77 0.00 0.00 57.85 57.08 1x5s n ARG 48 Cb 0.49 -1.26 -0.06 0.00 -1.02 0.00 0.00 32.46 30.61 1x5s n ARG 48 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1x5s h GLU 49 N 0.00 -0.00 0.00 5.56 4.57 -2.02 -3.40 114.58 119.28 1x5s h GLU 49 Ca -0.11 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 57.98 1x5s h GLU 49 Cb 0.94 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.51 1x5s h GLU 49 CO 0.01 0.44 -1.84 -2.37 -1.18 0.00 0.00 179.01 174.07 1x5s n THR 50 N -4.71 0.36 -3.51 0.32 5.66 -1.26 -5.02 114.28 106.13 1x5s n THR 50 Ca -0.04 -0.46 -0.20 0.00 -3.05 0.00 0.00 64.05 60.30 1x5s n THR 50 Cb 0.21 -0.13 0.08 0.00 -1.55 0.00 0.00 70.33 68.95 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 -2.23 -6.91 -3.95 1.09 6.02 -1.22 -4.95 117.38 105.22 1x5s n GLN 51 Ca -0.10 0.82 -0.36 0.00 -0.01 0.00 0.00 57.00 57.35 1x5s n GLN 51 Cb 0.62 -5.83 -0.08 0.00 1.02 0.00 0.00 30.24 25.97 1x5s n GLN 51 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1x5s s ARG 52 N -5.71 3.68 -0.47 -1.09 0.52 -1.26 -4.68 118.95 109.95 1x5s s ARG 52 Ca 0.19 -0.25 -0.41 0.00 -0.52 0.00 0.00 55.73 54.74 1x5s s ARG 52 Cb -0.08 -3.19 -0.17 0.00 0.52 0.00 0.00 34.95 32.03 1x5s s ARG 52 CO 0.74 0.53 2.17 0.45 0.02 0.00 0.00 175.30 179.20 1x5s n SER 53 N 2.76 1.13 -0.21 0.23 2.88 -1.26 -3.87 113.62 115.27 1x5s n SER 53 Ca -0.18 0.59 -0.01 0.00 -1.33 0.00 0.00 58.87 57.94 1x5s n SER 53 Cb 0.53 -1.00 0.10 0.00 -0.75 0.00 0.00 64.21 63.09 1x5s n SER 53 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1x5s h ARG 54 N 10.03 0.54 0.00 -1.46 2.47 -1.84 -3.46 114.38 120.66 1x5s h ARG 54 Ca -0.15 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.54 1x5s h ARG 54 Cb 1.39 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 29.59 1x5s h ARG 54 CO 1.08 0.36 0.00 0.41 0.56 0.00 0.00 179.97 182.37 1x5s n GLY 55 N -1.28 0.49 3.82 0.04 0.00 -1.26 -5.01 105.19 101.99 1x5s n GLY 55 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.49 -0.08 0.00 1.61 -0.71 -1.26 0.35 117.98 117.39 1x5s s PHE 56 Ca 0.00 -0.36 0.00 0.00 -1.04 0.00 0.00 56.93 55.53 1x5s s PHE 56 Cb 0.00 0.71 0.00 0.00 -1.21 0.00 0.00 43.02 42.52 1x5s s PHE 56 CO 0.00 -1.14 0.00 0.41 -1.34 0.00 0.00 175.22 173.15 1x5s n GLY 57 N -0.50 1.05 3.53 1.99 0.00 -0.34 -3.59 105.19 107.34 1x5s n GLY 57 Ca -0.05 -0.84 -0.07 0.00 0.00 0.00 0.00 46.02 45.05 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 -4.18 -0.98 -0.29 1.61 0.40 0.25 -2.85 117.98 111.94 1x5s s PHE 58 Ca 0.00 1.93 -0.06 0.00 -0.60 0.00 0.00 56.93 58.19 1x5s s PHE 58 Cb 0.00 0.55 0.01 0.00 0.51 0.00 0.00 43.02 44.09 1x5s s PHE 58 CO 0.00 -0.50 0.07 0.08 0.70 0.00 0.00 175.22 175.57 1x5s s VAL 59 N 1.80 3.90 -0.23 -0.44 1.01 -1.26 -0.19 120.40 125.00 1x5s s VAL 59 Ca -0.09 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 60.91 1x5s s VAL 59 Cb -0.07 -3.00 0.01 0.00 0.00 0.00 0.00 36.38 33.32 1x5s s VAL 59 CO -0.18 0.10 1.04 -0.89 0.00 0.00 0.00 175.10 175.18 1x5s s THR 60 N 1.49 4.67 -0.06 3.92 2.01 0.27 -3.94 115.64 124.01 1x5s s THR 60 Ca 0.03 2.02 -0.14 0.00 0.31 0.00 0.00 61.69 63.91 1x5s s THR 60 Cb -0.17 -4.31 -0.05 0.00 0.01 0.00 0.00 72.50 67.98 1x5s s THR 60 CO 0.02 -0.18 0.35 -0.36 -0.69 0.00 0.00 174.62 173.76 1x5s s PHE 61 N 3.21 3.63 0.13 4.92 0.40 -1.21 0.11 117.98 129.17 1x5s s PHE 61 Ca 0.44 0.83 -0.30 0.00 -0.60 0.00 0.00 56.93 57.30 1x5s s PHE 61 Cb -0.15 -2.28 -0.09 0.00 0.51 0.00 0.00 43.02 41.01 1x5s s PHE 61 CO 0.06 0.53 1.51 0.93 0.70 0.00 0.00 175.22 178.95 1x5s h GLU 62 N 5.36 -0.22 -6.03 0.44 5.08 -1.84 -3.41 114.58 113.95 1x5s h GLU 62 Ca -0.49 0.02 -0.60 0.00 -1.00 0.00 0.00 59.36 57.28 1x5s h GLU 62 Cb 1.21 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.45 1x5s h GLU 62 CO 0.65 -0.15 -0.52 1.21 -1.00 0.00 0.00 179.01 179.20 1x5s s ASN 63 N -5.09 6.07 0.08 1.42 3.84 -1.26 -5.03 114.94 114.97 1x5s s ASN 63 Ca -0.13 0.14 -0.28 0.00 0.21 0.00 0.00 52.86 52.81 1x5s s ASN 63 Cb 0.09 -1.78 -0.17 0.00 -0.55 0.00 0.00 41.25 38.84 1x5s s ASN 63 CO 0.58 0.14 1.69 0.40 -2.79 0.00 0.00 177.10 177.11 1x5s h ILE 64 N 2.10 0.69 -0.57 -5.21 2.04 -1.79 -2.62 117.51 112.15 1x5s h ILE 64 Ca -0.46 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.40 1x5s h ILE 64 Cb 1.17 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1x5s h ILE 64 CO 0.71 0.00 0.37 0.44 0.00 0.00 0.00 178.15 179.66 1x5s h ASP 65 N -0.42 0.66 -0.81 1.72 3.32 -1.94 -2.32 116.42 116.64 1x5s h ASP 65 Ca -0.04 -0.02 0.14 0.00 0.02 0.00 0.00 57.03 57.13 1x5s h ASP 65 Cb 0.32 -0.16 -0.09 0.00 0.22 0.00 0.00 39.33 39.62 1x5s h ASP 65 CO 0.06 0.49 0.38 -0.78 -1.72 0.00 0.00 179.24 177.67 1x5s h ASP 66 N 0.77 0.43 0.33 6.45 3.58 -1.86 -0.36 116.42 125.77 1x5s h ASP 66 Ca 0.21 0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.74 1x5s h ASP 66 Cb -0.07 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.02 1x5s h ASP 66 CO -0.04 0.17 -0.16 0.00 -2.88 0.00 0.00 179.24 176.33 1x5s h ALA 67 N 1.55 -0.84 -1.27 -0.78 0.00 -1.28 -3.12 119.26 113.53 1x5s h ALA 67 Ca 0.44 -0.10 0.40 0.00 0.00 0.00 0.00 54.91 55.65 1x5s h ALA 67 Cb 0.64 0.17 -0.12 0.00 0.00 0.00 0.00 17.79 18.49 1x5s h ALA 67 CO -0.38 -0.81 0.82 1.57 0.00 0.00 0.00 179.25 180.46 1x5s h LYS 68 N -0.58 0.14 -0.99 0.00 5.09 -1.43 0.84 116.57 119.64 1x5s h LYS 68 Ca -0.05 -0.01 0.12 0.00 0.09 0.00 0.00 60.65 60.80 1x5s h LYS 68 Cb 0.34 -0.03 -0.08 0.00 0.10 0.00 0.00 32.23 32.56 1x5s h LYS 68 CO 0.08 0.10 0.62 0.22 -2.09 0.00 0.00 179.45 178.37 1x5s h ASP 69 N 0.15 0.91 0.23 7.07 3.58 -1.00 -2.68 116.42 124.68 1x5s h ASP 69 Ca 0.76 0.05 -0.34 0.00 0.42 0.00 0.00 57.03 57.92 1x5s h ASP 69 Cb 2.35 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 43.23 1x5s h ASP 69 CO -0.37 0.48 -1.98 0.00 -2.88 0.00 0.00 179.24 174.49 1x5s n ALA 70 N -2.35 1.20 -0.36 -0.78 0.00 0.26 -4.05 120.51 114.42 1x5s n ALA 70 Ca 0.19 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1x5s n ALA 70 Cb 0.35 -0.64 0.06 0.00 0.00 0.00 0.00 19.45 19.23 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 0.03 -0.01 -0.63 0.00 1.85 -0.29 0.70 114.93 116.59 1x5s h MET 71 Ca -0.40 0.00 -0.08 0.00 -0.61 0.00 0.00 59.70 58.61 1x5s h MET 71 Cb 2.03 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 34.04 1x5s h MET 71 CO 0.06 -0.01 0.08 0.00 -0.40 0.00 0.00 176.91 176.64 1x5s h MET 72 N -0.01 1.06 0.67 0.39 -0.00 -1.71 0.59 114.93 115.91 1x5s h MET 72 Ca 0.37 -0.29 -0.03 0.00 -0.00 0.00 0.00 59.70 59.75 1x5s h MET 72 Cb 0.63 -0.12 0.00 0.00 -0.00 0.00 0.00 31.60 32.11 1x5s h MET 72 CO -0.98 0.98 -0.35 0.00 -0.00 0.00 0.00 176.91 176.57 1x5s h ALA 73 N 1.09 -0.94 -0.15 -3.00 0.00 0.07 -3.07 119.26 113.26 1x5s h ALA 73 Ca 0.19 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1x5s h ALA 73 Cb 0.46 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1x5s h ALA 73 CO 0.02 -1.04 -0.56 0.52 0.00 0.00 0.00 179.25 178.19 1x5s h MET 74 N -0.94 0.46 -4.86 0.00 2.86 -0.49 -3.43 114.93 108.53 1x5s h MET 74 Ca -0.09 -0.29 -0.43 0.00 -2.06 0.00 0.00 59.70 56.83 1x5s h MET 74 Cb 0.74 0.03 -0.10 0.00 0.06 0.00 0.00 31.60 32.33 1x5s h MET 74 CO 0.13 0.89 1.82 -1.71 1.06 0.00 0.00 176.91 179.10 1x5s n ASN 75 N -3.94 -0.39 -0.10 1.22 5.15 0.21 0.19 115.26 117.60 1x5s n ASN 75 Ca -0.03 -0.10 0.00 0.00 -0.60 0.00 0.00 54.58 53.85 1x5s n ASN 75 Cb 0.60 -0.75 0.00 0.00 -0.53 0.00 0.00 39.78 39.10 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 5.94 1.11 3.68 8.20 0.00 -1.26 -4.82 105.19 118.04 1x5s n GLY 76 Ca 0.65 -0.39 -0.28 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.44 2.50 -0.39 1.61 -0.14 0.51 -5.03 119.74 116.36 1x5s s LYS 77 Ca 0.00 -0.96 -0.15 0.00 -1.36 0.00 0.00 55.97 53.50 1x5s s LYS 77 Cb 0.00 -2.46 0.01 0.00 -1.68 0.00 0.00 37.83 33.70 1x5s s LYS 77 CO 0.00 0.50 0.31 -1.54 -0.76 0.00 0.00 175.35 173.86 1x5s s SER 78 N -2.64 6.12 -0.57 2.83 1.04 -1.26 -3.94 113.70 115.28 1x5s s SER 78 Ca 0.27 -0.69 -0.22 0.00 0.48 0.00 0.00 55.95 55.79 1x5s s SER 78 Cb -0.11 -2.17 0.06 0.00 0.10 0.00 0.00 66.02 63.91 1x5s s SER 78 CO 0.19 -0.41 0.83 0.54 0.98 0.00 0.00 173.24 175.36 1x5s s VAL 79 N 1.79 4.56 -1.46 5.02 0.11 -1.26 -4.07 120.40 125.10 1x5s s VAL 79 Ca 0.07 -0.25 0.00 0.00 -2.93 0.00 0.00 61.98 58.87 1x5s s VAL 79 Cb -0.18 -4.50 0.00 0.00 -1.53 0.00 0.00 36.38 30.17 1x5s s VAL 79 CO 0.11 -1.11 0.00 0.47 -3.33 0.00 0.00 175.10 171.24 1x5s n ASP 80 N 7.02 -4.89 -0.69 3.54 8.00 -1.26 -3.58 116.55 124.68 1x5s n ASP 80 Ca -0.03 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.53 1x5s n ASP 80 Cb 0.46 -3.97 0.00 0.00 -0.02 0.00 0.00 41.12 37.59 1x5s n ASP 80 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x5s n GLY 81 N -1.01 0.76 1.83 0.44 0.00 -1.26 -5.12 105.19 100.84 1x5s n GLY 81 Ca -0.19 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.69 0.66 -2.17 1.61 5.12 -1.24 -5.08 116.66 114.87 1x5s n ARG 82 Ca 0.00 -1.89 -0.03 0.00 -1.93 0.00 0.00 57.85 54.00 1x5s n ARG 82 Cb 0.26 1.11 0.05 0.00 -1.16 0.00 0.00 32.46 32.72 1x5s n ARG 82 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x5s n GLN 83 N -0.48 1.69 -1.46 5.56 10.64 -1.26 -4.21 117.38 127.86 1x5s n GLN 83 Ca -0.02 -3.27 -0.29 0.00 -1.83 0.00 0.00 57.00 51.59 1x5s n GLN 83 Cb 0.34 -1.37 0.14 0.00 -0.86 0.00 0.00 30.24 28.48 1x5s n GLN 83 CO 0.00 0.00 0.00 0.96 -1.83 0.00 0.00 177.06 176.19 1x5s s ILE 84 N -3.04 2.21 0.16 -0.39 -4.36 -1.25 -4.99 121.20 109.54 1x5s s ILE 84 Ca 0.34 0.07 0.03 0.00 -0.26 0.00 0.00 60.65 60.83 1x5s s ILE 84 Cb 0.36 -2.76 -0.05 0.00 1.25 0.00 0.00 42.46 41.26 1x5s s ILE 84 CO -0.06 -0.09 -0.04 -0.60 0.24 0.00 0.00 174.94 174.39 1x5s s ARG 85 N -5.19 1.09 -0.02 0.37 3.52 -1.23 -3.77 118.95 113.71 1x5s s ARG 85 Ca 0.64 -1.50 -0.01 0.00 -0.13 0.00 0.00 55.73 54.73 1x5s s ARG 85 Cb -0.16 -0.42 0.03 0.00 -1.56 0.00 0.00 34.95 32.84 1x5s s ARG 85 CO 0.54 -0.04 0.04 0.08 -0.81 0.00 0.00 175.30 175.11 1x5s s VAL 86 N -3.51 -0.05 0.19 7.11 1.01 -1.26 -3.64 120.40 120.24 1x5s s VAL 86 Ca 0.20 0.18 -0.13 0.00 0.00 0.00 0.00 61.98 62.23 1x5s s VAL 86 Cb 0.05 -0.10 0.01 0.00 0.00 0.00 0.00 36.38 36.34 1x5s s VAL 86 CO 0.02 0.07 0.41 1.51 0.00 0.00 0.00 175.10 177.11 1x5s s ASP 87 N 0.91 -0.10 -0.02 3.32 -4.77 -1.17 -4.14 116.67 110.69 1x5s s ASP 87 Ca -0.07 -0.71 -0.34 0.00 -3.30 0.00 0.00 52.55 48.12 1x5s s ASP 87 Cb -0.11 0.51 -0.12 0.00 -1.09 0.00 0.00 42.92 42.12 1x5s s ASP 87 CO -0.03 -0.99 1.82 0.00 0.70 0.00 0.00 175.17 176.67 1x5s n GLN 88 N -0.29 2.24 -2.93 2.11 10.64 -1.26 -1.79 117.38 126.10 1x5s n GLN 88 Ca -0.08 0.82 -0.44 0.00 -1.83 0.00 0.00 57.00 55.47 1x5s n GLN 88 Cb 0.63 -2.66 -0.03 0.00 -0.86 0.00 0.00 30.24 27.32 1x5s n GLN 88 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1x5s s ALA 89 N 3.36 3.29 -0.29 2.61 0.00 -0.46 -4.72 121.76 125.54 1x5s s ALA 89 Ca 0.89 -2.39 -0.16 0.00 0.00 0.00 0.00 51.96 50.29 1x5s s ALA 89 Cb -0.67 -3.92 -0.02 0.00 0.00 0.00 0.00 23.12 18.51 1x5s s ALA 89 CO 0.48 -2.83 0.44 0.20 0.00 0.00 0.00 175.76 174.05 1x5s s GLY 90 N 3.64 1.86 -0.07 0.00 0.00 -1.26 -4.54 107.32 106.94 1x5s s GLY 90 Ca 0.26 -0.84 -0.03 0.00 0.00 0.00 0.00 44.72 44.12 1x5s s GLY 90 CO -0.01 1.12 0.07 0.54 0.00 0.00 0.00 173.10 174.82 1x5s s LYS 91 N 2.21 -0.05 0.47 2.90 1.02 -1.26 -5.15 119.74 119.88 1x5s s LYS 91 Ca 0.17 0.28 -0.09 0.00 0.02 0.00 0.00 55.97 56.35 1x5s s LYS 91 Cb -0.16 -0.79 -0.05 0.00 -0.52 0.00 0.00 37.83 36.31 1x5s s LYS 91 CO 0.11 -0.40 0.83 -1.12 -0.92 0.00 0.00 175.35 173.85 1x5s s SER 92 N 2.16 6.41 -0.18 2.83 0.01 -1.26 -5.08 113.70 118.59 1x5s s SER 92 Ca 0.04 1.15 -0.04 0.00 1.31 0.00 0.00 55.95 58.41 1x5s s SER 92 Cb -0.13 -2.34 0.08 0.00 0.21 0.00 0.00 66.02 63.85 1x5s s SER 92 CO -0.04 -0.54 0.22 -0.44 0.41 0.00 0.00 173.24 172.85 1x5s s SER 93 N -3.59 1.13 -0.32 2.44 0.01 -1.26 -5.11 113.70 107.00 1x5s s SER 93 Ca 0.51 -0.02 -0.29 0.00 1.31 0.00 0.00 55.95 57.46 1x5s s SER 93 Cb -0.10 0.42 -0.00 0.00 0.21 0.00 0.00 66.02 66.54 1x5s s SER 93 CO 0.39 -0.30 1.45 -0.62 0.41 0.00 0.00 173.24 174.57 1x5s s ASP 94 N 2.34 6.43 -0.06 2.44 2.15 -1.26 -4.98 116.67 123.73 1x5s s ASP 94 Ca 0.06 1.19 -0.02 0.00 0.43 0.00 0.00 52.55 54.21 1x5s s ASP 94 Cb -0.15 -2.54 0.04 0.00 -0.30 0.00 0.00 42.92 39.97 1x5s s ASP 94 CO -0.11 -1.29 0.13 0.21 -0.17 0.00 0.00 175.17 173.94 1x5s s ASN 95 N 3.76 -0.02 -0.03 -0.34 3.84 -1.26 -5.15 114.94 115.75 1x5s s ASN 95 Ca 0.63 0.25 0.01 0.00 0.21 0.00 0.00 52.86 53.96 1x5s s ASN 95 Cb -0.18 0.14 0.02 0.00 -0.55 0.00 0.00 41.25 40.68 1x5s s ASN 95 CO 0.28 -0.15 -0.02 -0.60 -2.79 0.00 0.00 177.10 173.83 1x5s s ARG 96 N 1.23 0.43 -0.27 0.43 3.52 -1.26 -5.14 118.95 117.90 1x5s s ARG 96 Ca -0.08 -0.00 -0.26 0.00 -0.13 0.00 0.00 55.73 55.25 1x5s s ARG 96 Cb -0.12 -0.54 0.15 0.00 -1.56 0.00 0.00 34.95 32.89 1x5s s ARG 96 CO -0.05 -0.09 1.19 0.45 -0.81 0.00 0.00 175.30 175.99 1x5s s SER 97 N 0.82 -0.26 0.00 -2.12 0.15 -1.26 -5.13 113.70 105.90 1x5s s SER 97 Ca -0.09 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.01 1x5s s SER 97 Cb -0.12 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.63 1x5s s SER 97 CO -0.01 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.91 1x5s n GLY 98 N 1.57 -1.89 2.54 9.45 0.00 -1.26 -5.18 105.19 110.42 1x5s n GLY 98 Ca -0.10 0.94 -0.22 0.00 0.00 0.00 0.00 46.02 46.64 1x5s n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x5s n PRO 99 N 0.00 -2.57 -4.24 1.61 -0.04 -1.26 -5.09 135.00 123.41 1x5s n PRO 99 Ca 0.00 -1.27 -0.14 0.00 -0.04 0.00 0.00 63.50 62.06 1x5s n PRO 99 Cb 0.00 -1.19 -0.10 0.00 -0.04 0.00 0.00 33.50 32.17 1x5s n PRO 99 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x5s s SER 100 N -3.64 1.53 -0.10 3.54 1.04 -1.26 -5.16 113.70 109.65 1x5s s SER 100 Ca 0.51 -1.08 -0.32 0.00 0.48 0.00 0.00 55.95 55.54 1x5s s SER 100 Cb -0.05 0.04 0.13 0.00 0.10 0.00 0.00 66.02 66.24 1x5s s SER 100 CO 0.39 -0.44 1.22 -0.55 0.98 0.00 0.00 173.24 174.84 1x5s s SER 101 N -3.16 -0.12 0.00 7.02 0.15 -1.26 -5.38 113.70 110.95 1x5s s SER 101 Ca 0.19 -0.07 0.00 0.00 0.70 0.00 0.00 55.95 56.77 1x5s s SER 101 Cb 0.04 0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 1x5s s SER 101 CO 0.01 -0.31 0.23 0.61 1.20 0.00 0.00 173.24 174.99