#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 -0.96 0.13 1.61 0.15 -1.26 -5.17 113.70 108.20 1x5s s SER 2 Ca 0.00 0.65 -0.03 0.00 0.70 0.00 0.00 55.95 57.27 1x5s s SER 2 Cb 0.00 1.82 -0.03 0.00 -1.71 0.00 0.00 66.02 66.10 1x5s s SER 2 CO 0.00 -0.18 0.11 -0.55 1.20 0.00 0.00 173.24 173.82 1x5s s SER 3 N 2.88 0.25 0.00 5.45 0.15 -1.26 -5.11 113.70 116.07 1x5s s SER 3 Ca 0.10 -1.11 0.00 0.00 0.70 0.00 0.00 55.95 55.64 1x5s s SER 3 Cb -0.13 0.32 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 1x5s s SER 3 CO -0.17 -0.76 0.00 0.61 1.20 0.00 0.00 173.24 174.12 1x5s n GLY 4 N -0.11 1.85 2.96 9.45 0.00 -1.26 -5.13 105.19 112.95 1x5s n GLY 4 Ca -0.06 -0.97 -0.24 0.00 0.00 0.00 0.00 46.02 44.75 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 1.61 -0.12 1.61 0.01 -1.26 -5.13 113.70 110.41 1x5s s SER 5 Ca 0.00 -0.24 -0.27 0.00 1.31 0.00 0.00 55.95 56.74 1x5s s SER 5 Cb 0.00 -0.71 0.07 0.00 0.21 0.00 0.00 66.02 65.59 1x5s s SER 5 CO 0.00 -0.03 0.66 -0.44 0.41 0.00 0.00 173.24 173.84 1x5s s SER 6 N 0.97 -0.65 0.00 2.44 0.01 -1.26 -5.13 113.70 110.07 1x5s s SER 6 Ca -0.09 0.93 0.00 0.00 1.31 0.00 0.00 55.95 58.09 1x5s s SER 6 Cb -0.15 0.85 0.00 0.00 0.21 0.00 0.00 66.02 66.93 1x5s s SER 6 CO 0.00 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 173.80 1x5s n GLY 7 N 1.60 -0.35 0.11 3.44 0.00 -1.26 -5.02 105.19 103.70 1x5s n GLY 7 Ca -0.17 0.34 -0.17 0.00 0.00 0.00 0.00 46.02 46.02 1x5s n GLY 7 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1x5s n MET 8 N 0.00 0.54 -3.40 1.61 0.00 -1.26 -5.02 117.12 109.59 1x5s n MET 8 Ca 0.00 0.32 -0.19 0.00 0.00 0.00 0.00 57.70 57.83 1x5s n MET 8 Cb 0.00 -1.53 0.07 0.00 0.00 0.00 0.00 33.22 31.76 1x5s n MET 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1x5s n ALA 9 N -4.12 -1.31 -0.11 -5.12 0.00 -1.26 -4.95 120.51 103.64 1x5s n ALA 9 Ca -0.29 0.25 -0.18 0.00 0.00 0.00 0.00 53.44 53.22 1x5s n ALA 9 Cb 0.62 -4.17 -0.06 0.00 0.00 0.00 0.00 19.45 15.84 1x5s n ALA 9 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1x5s n SER 10 N -2.55 1.93 -4.15 0.00 7.64 -1.26 -4.83 113.62 110.40 1x5s n SER 10 Ca -0.06 0.37 -0.38 0.00 1.01 0.00 0.00 58.87 59.81 1x5s n SER 10 Cb 0.58 -0.80 -0.09 0.00 -1.01 0.00 0.00 64.21 62.88 1x5s n SER 10 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1x5s s ASP 11 N -6.58 5.48 0.07 6.43 -1.08 -1.26 -4.95 116.67 114.77 1x5s s ASP 11 Ca -0.31 -2.43 -0.27 0.00 -0.52 0.00 0.00 52.55 49.01 1x5s s ASP 11 Cb 0.08 -1.91 -0.17 0.00 -1.46 0.00 0.00 42.92 39.46 1x5s s ASP 11 CO 0.45 -0.50 1.61 -0.33 0.52 0.00 0.00 175.17 176.92 1x5s h GLU 12 N 7.65 -0.42 -0.74 4.34 3.07 -1.94 -2.91 114.58 123.64 1x5s h GLU 12 Ca -0.07 0.03 0.27 0.00 -0.50 0.00 0.00 59.36 59.08 1x5s h GLU 12 Cb 1.01 0.09 -0.13 0.00 -0.84 0.00 0.00 28.75 28.88 1x5s h GLU 12 CO 0.74 -0.24 0.24 0.41 -1.40 0.00 0.00 179.01 178.77 1x5s n GLY 13 N -1.11 -0.73 3.72 -3.84 0.00 -1.26 -4.15 105.19 97.82 1x5s n GLY 13 Ca -0.10 0.65 -0.42 0.00 0.00 0.00 0.00 46.02 46.15 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 -5.33 4.53 0.14 1.61 2.47 -1.10 -2.76 119.74 119.30 1x5s s LYS 14 Ca -0.08 1.60 0.08 0.00 -1.56 0.00 0.00 55.97 56.02 1x5s s LYS 14 Cb 0.24 -3.38 -0.04 0.00 -1.46 0.00 0.00 37.83 33.19 1x5s s LYS 14 CO 0.57 -0.08 -0.12 -0.51 0.16 0.00 0.00 175.35 175.37 1x5s s LEU 15 N 0.71 2.92 -0.25 5.43 1.43 -0.84 -2.45 118.68 125.64 1x5s s LEU 15 Ca 0.54 -0.52 -0.05 0.00 -1.03 0.00 0.00 54.13 53.07 1x5s s LEU 15 Cb -0.26 -1.68 -0.00 0.00 0.03 0.00 0.00 46.19 44.28 1x5s s LEU 15 CO 0.30 0.14 0.01 0.12 0.23 0.00 0.00 176.35 177.16 1x5s s PHE 16 N -1.42 3.06 -0.11 0.29 5.36 0.78 -3.67 117.98 122.27 1x5s s PHE 16 Ca 0.22 -0.94 0.03 0.00 -0.96 0.00 0.00 56.93 55.28 1x5s s PHE 16 Cb -0.10 -2.17 0.01 0.00 -0.34 0.00 0.00 43.02 40.42 1x5s s PHE 16 CO 0.13 -0.55 -0.19 0.08 -1.46 0.00 0.00 175.22 173.24 1x5s s VAL 17 N 1.49 1.72 0.11 3.12 1.01 -0.92 -2.70 120.40 124.22 1x5s s VAL 17 Ca 0.04 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.26 1x5s s VAL 17 Cb -0.16 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1x5s s VAL 17 CO -0.00 0.48 -0.09 -0.83 0.00 0.00 0.00 175.10 174.66 1x5s s GLY 18 N 0.73 0.87 -0.15 4.51 0.00 -1.24 -0.43 107.32 111.62 1x5s s GLY 18 Ca -0.11 -1.27 0.00 0.00 0.00 0.00 0.00 44.72 43.34 1x5s s GLY 18 CO 0.02 -1.36 0.00 0.61 0.00 0.00 0.00 173.10 172.37 1x5s n GLY 19 N 0.31 0.39 3.77 0.20 0.00 0.23 -3.47 105.19 106.62 1x5s n GLY 19 Ca -0.14 -0.91 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 1x5s n GLY 19 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x5s s LEU 20 N -0.40 2.97 0.20 0.99 1.43 -0.98 -4.37 118.68 118.52 1x5s s LEU 20 Ca 0.00 1.76 -0.29 0.00 -1.03 0.00 0.00 54.13 54.57 1x5s s LEU 20 Cb 0.00 -4.46 -0.08 0.00 0.03 0.00 0.00 46.19 41.68 1x5s s LEU 20 CO 0.00 -2.00 0.90 -0.55 0.23 0.00 0.00 176.35 174.93 1x5s s SER 21 N -3.46 7.55 0.33 2.29 0.15 -1.26 -4.77 113.70 114.53 1x5s s SER 21 Ca 0.61 1.84 0.12 0.00 0.70 0.00 0.00 55.95 59.22 1x5s s SER 21 Cb -0.17 -2.58 1.00 0.00 -1.71 0.00 0.00 66.02 62.57 1x5s s SER 21 CO 0.56 0.14 1.67 -0.26 1.20 0.00 0.00 173.24 176.54 1x5s h PHE 22 N 4.42 0.83 -0.51 3.44 0.04 -1.95 0.85 116.94 124.07 1x5s h PHE 22 Ca -0.45 0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.33 1x5s h PHE 22 Cb 1.20 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 39.12 1x5s h PHE 22 CO 0.62 -0.16 0.18 0.22 -0.60 0.00 0.00 178.31 178.58 1x5s h ASP 23 N 0.33 0.67 -2.33 2.17 1.82 -1.98 -3.43 116.42 113.67 1x5s h ASP 23 Ca 0.69 -0.09 -0.55 0.00 -0.39 0.00 0.00 57.03 56.69 1x5s h ASP 23 Cb 1.52 -0.17 0.03 0.00 0.68 0.00 0.00 39.33 41.39 1x5s h ASP 23 CO -0.60 0.62 1.12 0.41 -1.61 0.00 0.00 179.24 179.18 1x5s n THR 24 N -4.33 0.50 -4.47 2.25 -1.04 0.30 -4.94 114.28 102.55 1x5s n THR 24 Ca 0.04 -0.09 -0.23 0.00 -2.04 0.00 0.00 64.05 61.73 1x5s n THR 24 Cb 0.17 -2.07 -0.09 0.00 -1.82 0.00 0.00 70.33 66.52 1x5s n THR 24 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1x5s s ASN 25 N 3.36 2.46 0.29 8.00 2.20 -1.26 -4.83 114.94 125.16 1x5s s ASN 25 Ca 0.86 -1.60 0.01 0.00 -0.94 0.00 0.00 52.86 51.18 1x5s s ASN 25 Cb -0.53 0.39 0.70 0.00 -2.00 0.00 0.00 41.25 39.80 1x5s s ASN 25 CO 0.42 -0.87 1.60 -0.33 -2.94 0.00 0.00 177.10 174.97 1x5s h GLU 26 N 1.93 0.06 0.27 3.55 5.08 -1.98 0.11 114.58 123.61 1x5s h GLU 26 Ca -0.36 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 1x5s h GLU 26 Cb 1.26 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1x5s h GLU 26 CO 0.58 0.04 -0.13 0.37 -1.00 0.00 0.00 179.01 178.87 1x5s h GLN 27 N 0.06 -0.35 -0.26 2.33 -0.00 -1.98 -1.66 115.11 113.25 1x5s h GLN 27 Ca 0.56 0.02 0.03 0.00 -0.00 0.00 0.00 58.65 59.27 1x5s h GLN 27 Cb 1.14 0.08 -0.06 0.00 0.00 0.00 0.00 27.48 28.64 1x5s h GLN 27 CO -0.83 -0.13 -0.44 1.03 0.00 0.00 0.00 178.83 178.46 1x5s h SER 28 N -0.51 -1.45 -0.21 -0.69 0.87 -1.18 0.92 113.55 111.30 1x5s h SER 28 Ca -0.04 0.19 0.06 0.00 -1.23 0.00 0.00 61.79 60.76 1x5s h SER 28 Cb 0.38 0.59 -0.06 0.00 -0.44 0.00 0.00 62.40 62.86 1x5s h SER 28 CO 0.06 -0.34 -0.23 -0.07 -0.53 0.00 0.00 176.83 175.73 1x5s h LEU 29 N -0.36 -0.72 -2.08 2.23 3.38 -1.33 0.27 115.31 116.70 1x5s h LEU 29 Ca 0.05 0.13 0.05 0.00 0.09 0.00 0.00 57.88 58.20 1x5s h LEU 29 Cb 0.49 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1x5s h LEU 29 CO -0.44 -0.27 0.33 -0.08 0.09 0.00 0.00 178.44 178.08 1x5s h GLU 30 N -0.25 0.00 0.15 1.13 4.81 -0.55 0.15 114.58 120.02 1x5s h GLU 30 Ca 0.13 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 59.00 1x5s h GLU 30 Cb 0.44 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.82 1x5s h GLU 30 CO -0.35 0.00 -1.89 1.96 -0.73 0.00 0.00 179.01 178.00 1x5s h GLN 31 N 0.00 0.33 0.00 1.92 4.20 0.19 -3.32 115.11 118.43 1x5s h GLN 31 Ca 0.09 -0.56 0.00 0.00 0.06 0.00 0.00 58.65 58.24 1x5s h GLN 31 Cb 0.76 0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.74 1x5s h GLN 31 CO -0.00 1.26 0.00 0.28 -0.67 0.00 0.00 178.83 179.70 1x5s n VAL 32 N -3.53 0.00 -0.40 -0.54 0.31 0.46 -3.66 118.33 110.97 1x5s n VAL 32 Ca -0.29 0.79 0.35 0.00 -0.01 0.00 0.00 64.34 65.18 1x5s n VAL 32 Cb 1.06 -1.65 0.60 0.00 -0.91 0.00 0.00 33.84 32.94 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 -1.66 0.73 -0.23 3.52 3.01 -0.17 0.11 117.46 122.77 1x5s n PHE 33 Ca 0.00 0.73 0.03 0.00 1.01 0.00 0.00 57.45 59.23 1x5s n PHE 33 Cb 0.00 -1.16 0.14 0.00 -0.01 0.00 0.00 39.48 38.46 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 -0.04 -0.31 4.37 0.87 -1.66 0.43 113.55 117.21 1x5s h SER 34 Ca 0.79 0.14 0.07 0.00 -1.23 0.00 0.00 61.79 61.56 1x5s h SER 34 Cb 2.46 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 64.60 1x5s h SER 34 CO -0.48 -0.04 0.22 0.07 -0.53 0.00 0.00 176.83 176.07 1x5s h LYS 35 N 0.24 0.08 0.16 2.24 2.10 0.67 -2.27 116.57 119.79 1x5s h LYS 35 Ca 0.37 -0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.75 1x5s h LYS 35 Cb 0.60 -0.02 0.02 0.00 -0.90 0.00 0.00 32.23 31.93 1x5s h LYS 35 CO -0.48 0.05 -1.22 1.88 -2.00 0.00 0.00 179.45 177.68 1x5s h TYR 36 N 0.08 0.61 -0.86 0.07 0.05 -0.37 -3.50 116.97 113.06 1x5s h TYR 36 Ca 0.14 -0.44 0.00 0.00 0.05 0.00 0.00 58.73 58.48 1x5s h TYR 36 Cb 0.46 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.18 1x5s h TYR 36 CO -0.00 1.47 0.00 0.41 -1.05 0.00 0.00 178.16 178.99 1x5s n GLY 37 N 1.72 2.93 3.87 3.88 0.00 0.65 -4.56 105.19 113.68 1x5s n GLY 37 Ca -0.19 -0.72 -0.32 0.00 0.00 0.00 0.00 46.02 44.79 1x5s n GLY 37 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1x5s s GLN 38 N 1.10 3.84 -0.00 1.61 2.00 -1.26 -3.92 119.66 123.02 1x5s s GLN 38 Ca 0.00 0.34 0.06 0.00 -2.00 0.00 0.00 55.36 53.76 1x5s s GLN 38 Cb 0.00 -2.62 -0.02 0.00 0.80 0.00 0.00 33.01 31.17 1x5s s GLN 38 CO 0.00 0.30 -0.20 0.42 -0.50 0.00 0.00 175.29 175.31 1x5s s ILE 39 N -1.83 1.59 -0.08 -2.34 1.01 -1.26 -4.59 121.20 113.70 1x5s s ILE 39 Ca 0.48 -0.93 -0.00 0.00 0.00 0.00 0.00 60.65 60.20 1x5s s ILE 39 Cb -0.11 -1.33 -0.05 0.00 0.01 0.00 0.00 42.46 40.98 1x5s s ILE 39 CO 0.21 0.39 -0.08 -1.20 0.00 0.00 0.00 174.94 174.26 1x5s n SER 40 N 2.41 2.92 -3.46 3.58 7.64 0.21 -4.83 113.62 122.09 1x5s n SER 40 Ca -0.16 -0.02 -0.12 0.00 1.01 0.00 0.00 58.87 59.59 1x5s n SER 40 Cb 0.53 -0.14 -0.03 0.00 -1.01 0.00 0.00 64.21 63.56 1x5s n SER 40 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1x5s s GLU 41 N -2.16 1.12 0.07 1.43 2.12 -1.18 -4.97 118.70 115.14 1x5s s GLU 41 Ca -0.11 -0.33 0.03 0.00 0.36 0.00 0.00 54.97 54.93 1x5s s GLU 41 Cb 0.03 0.52 -0.03 0.00 0.26 0.00 0.00 34.13 34.91 1x5s s GLU 41 CO 0.17 -0.47 -0.10 0.08 -0.54 0.00 0.00 175.26 174.40 1x5s s VAL 42 N -3.24 0.80 -0.09 3.70 1.01 -1.26 -0.00 120.40 121.31 1x5s s VAL 42 Ca 0.01 -1.32 -0.03 0.00 0.00 0.00 0.00 61.98 60.64 1x5s s VAL 42 Cb -0.01 -0.97 0.04 0.00 0.00 0.00 0.00 36.38 35.44 1x5s s VAL 42 CO -0.09 -0.41 0.05 -0.69 0.00 0.00 0.00 175.10 173.96 1x5s s VAL 43 N -1.72 0.09 -0.34 2.92 1.01 0.47 -4.99 120.40 117.85 1x5s s VAL 43 Ca -0.03 0.12 -0.05 0.00 0.00 0.00 0.00 61.98 62.02 1x5s s VAL 43 Cb -0.07 -0.43 0.05 0.00 0.00 0.00 0.00 36.38 35.92 1x5s s VAL 43 CO 0.01 0.06 0.09 -0.69 0.00 0.00 0.00 175.10 174.56 1x5s s VAL 44 N 2.08 3.51 0.31 2.92 1.01 -1.26 -1.25 120.40 127.72 1x5s s VAL 44 Ca 0.04 -1.29 -0.29 0.00 0.00 0.00 0.00 61.98 60.43 1x5s s VAL 44 Cb -0.13 -3.04 -0.11 0.00 0.00 0.00 0.00 36.38 33.10 1x5s s VAL 44 CO -0.05 -0.21 1.46 -0.69 0.00 0.00 0.00 175.10 175.61 1x5s s VAL 45 N 1.34 2.38 -0.01 2.92 1.01 -1.25 -4.97 120.40 121.82 1x5s s VAL 45 Ca -0.02 0.35 -0.04 0.00 0.00 0.00 0.00 61.98 62.27 1x5s s VAL 45 Cb -0.20 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1x5s s VAL 45 CO 0.01 0.07 0.09 -0.54 0.00 0.00 0.00 175.10 174.73 1x5s s LYS 46 N -1.13 0.30 1.21 2.72 1.02 -1.26 -2.55 119.74 120.05 1x5s s LYS 46 Ca 0.56 -0.21 -0.18 0.00 0.02 0.00 0.00 55.97 56.16 1x5s s LYS 46 Cb -0.44 0.13 0.27 0.00 -0.52 0.00 0.00 37.83 37.26 1x5s s LYS 46 CO 0.51 -0.06 0.59 -3.47 -0.92 0.00 0.00 175.35 172.00 1x5s n ASP 47 N 2.14 -3.43 -0.09 2.83 2.03 -1.25 -4.81 116.55 113.97 1x5s n ASP 47 Ca -0.19 -0.58 -0.10 0.00 0.52 0.00 0.00 54.79 54.45 1x5s n ASP 47 Cb 0.57 -0.89 -0.12 0.00 -0.72 0.00 0.00 41.12 39.96 1x5s n ASP 47 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1x5s n ARG 48 N -3.61 1.15 0.06 -0.67 1.85 -1.26 -3.30 116.66 110.89 1x5s n ARG 48 Ca 0.09 0.02 -0.04 0.00 -1.00 0.00 0.00 57.85 56.92 1x5s n ARG 48 Cb 0.46 -1.42 -0.02 0.00 -1.05 0.00 0.00 32.46 30.44 1x5s n ARG 48 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 1x5s h GLU 49 N 0.00 -0.25 0.03 2.89 4.57 -2.02 -3.40 114.58 116.40 1x5s h GLU 49 Ca -0.45 0.02 -0.33 0.00 -1.18 0.00 0.00 59.36 57.42 1x5s h GLU 49 Cb 1.94 0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 30.54 1x5s h GLU 49 CO 0.00 -0.17 -1.97 -2.37 -1.18 0.00 0.00 179.01 173.33 1x5s n THR 50 N -4.81 1.60 -3.14 0.32 5.66 -1.26 -5.01 114.28 107.64 1x5s n THR 50 Ca -0.03 -0.76 -0.14 0.00 -3.05 0.00 0.00 64.05 60.07 1x5s n THR 50 Cb 0.10 -1.11 0.07 0.00 -1.55 0.00 0.00 70.33 67.84 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 -3.10 -5.26 -4.55 1.09 1.13 -1.21 -4.95 117.38 100.53 1x5s n GLN 51 Ca -0.26 0.66 -0.34 0.00 -1.94 0.00 0.00 57.00 55.12 1x5s n GLN 51 Cb 1.07 -5.12 -0.11 0.00 0.11 0.00 0.00 30.24 26.19 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 -5.15 2.79 -0.86 -1.09 3.52 -1.26 -4.68 118.95 112.21 1x5s s ARG 52 Ca 0.04 -0.53 -0.34 0.00 -0.13 0.00 0.00 55.73 54.77 1x5s s ARG 52 Cb -0.02 -2.63 -0.21 0.00 -1.56 0.00 0.00 34.95 30.53 1x5s s ARG 52 CO 0.57 0.67 2.55 0.45 -0.81 0.00 0.00 175.30 178.73 1x5s n SER 53 N 2.14 0.46 -0.15 -2.12 2.88 -1.26 -3.75 113.62 111.82 1x5s n SER 53 Ca -0.18 0.29 -0.03 0.00 -1.33 0.00 0.00 58.87 57.62 1x5s n SER 53 Cb 0.53 -0.93 0.05 0.00 -0.75 0.00 0.00 64.21 63.11 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 11.45 0.10 0.00 -1.46 2.47 -1.87 -3.46 114.38 121.61 1x5s h ARG 54 Ca -0.07 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 1x5s h ARG 54 Cb 1.34 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.63 1x5s h ARG 54 CO 1.31 0.06 0.00 0.41 0.56 0.00 0.00 179.97 182.31 1x5s n GLY 55 N -1.31 0.00 3.83 0.04 0.00 -1.26 -5.00 105.19 101.48 1x5s n GLY 55 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.12 0.01 1.61 -0.71 -1.26 0.75 117.98 118.27 1x5s s PHE 56 Ca 0.00 -0.33 -0.02 0.00 -1.04 0.00 0.00 56.93 55.54 1x5s s PHE 56 Cb 0.00 0.71 0.01 0.00 -1.21 0.00 0.00 43.02 42.53 1x5s s PHE 56 CO 0.00 -1.17 0.08 0.41 -1.34 0.00 0.00 175.22 173.19 1x5s n GLY 57 N -0.48 1.26 3.64 1.99 0.00 0.43 -3.75 105.19 108.27 1x5s n GLY 57 Ca -0.05 -0.94 -0.05 0.00 0.00 0.00 0.00 46.02 44.98 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 -5.75 -1.02 0.18 1.61 0.40 -0.38 -2.17 117.98 110.86 1x5s s PHE 58 Ca 0.02 1.98 0.08 0.00 -0.60 0.00 0.00 56.93 58.41 1x5s s PHE 58 Cb -0.00 0.61 -0.04 0.00 0.51 0.00 0.00 43.02 44.10 1x5s s PHE 58 CO 0.00 -0.50 -0.01 0.08 0.70 0.00 0.00 175.22 175.49 1x5s s VAL 59 N 1.79 3.66 -0.10 -0.44 1.01 -1.24 -0.39 120.40 124.69 1x5s s VAL 59 Ca -0.09 -1.48 0.03 0.00 0.00 0.00 0.00 61.98 60.44 1x5s s VAL 59 Cb -0.06 -2.85 -0.01 0.00 0.00 0.00 0.00 36.38 33.46 1x5s s VAL 59 CO -0.19 -0.13 -0.19 -0.89 0.00 0.00 0.00 175.10 173.70 1x5s s THR 60 N -1.78 2.57 -0.18 3.92 2.01 1.00 -1.99 115.64 121.20 1x5s s THR 60 Ca 0.28 -0.85 -0.05 0.00 0.31 0.00 0.00 61.69 61.37 1x5s s THR 60 Cb -0.09 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.37 1x5s s THR 60 CO 0.18 0.55 0.00 -0.36 -0.69 0.00 0.00 174.62 174.31 1x5s s PHE 61 N 0.13 3.08 0.10 4.92 0.40 -1.11 0.66 117.98 126.16 1x5s s PHE 61 Ca -0.09 -0.25 -0.18 0.00 -0.60 0.00 0.00 56.93 55.80 1x5s s PHE 61 Cb -0.16 -2.03 -0.04 0.00 0.51 0.00 0.00 43.02 41.30 1x5s s PHE 61 CO 0.06 -0.05 1.12 0.39 0.70 0.00 0.00 175.22 177.44 1x5s n GLU 62 N 3.77 -0.26 -3.97 0.44 1.02 -1.26 -4.42 120.64 115.95 1x5s n GLU 62 Ca -0.17 1.10 -0.25 0.00 -0.02 0.00 0.00 57.16 57.82 1x5s n GLU 62 Cb 0.52 -1.63 -0.03 0.00 -0.02 0.00 0.00 31.44 30.28 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 -4.78 6.21 0.02 1.62 -0.87 -1.26 -5.05 114.94 110.82 1x5s s ASN 63 Ca -0.07 0.10 -0.27 0.00 -1.57 0.00 0.00 52.86 51.05 1x5s s ASN 63 Cb 0.07 -1.83 -0.16 0.00 -0.02 0.00 0.00 41.25 39.31 1x5s s ASN 63 CO 0.37 0.03 1.21 0.40 -2.57 0.00 0.00 177.10 176.54 1x5s h ILE 64 N 1.59 0.28 -0.98 0.60 2.04 -1.98 -3.15 117.51 115.91 1x5s h ILE 64 Ca -0.49 -0.36 0.10 0.00 1.00 0.00 0.00 64.86 65.11 1x5s h ILE 64 Cb 1.20 0.38 -0.13 0.00 -0.74 0.00 0.00 36.82 37.53 1x5s h ILE 64 CO 0.66 0.04 -0.54 -0.78 0.00 0.00 0.00 178.15 177.53 1x5s h ASP 65 N -1.04 -1.98 -0.79 1.72 1.82 -1.96 0.19 116.42 114.38 1x5s h ASP 65 Ca -0.08 0.32 0.14 0.00 -0.39 0.00 0.00 57.03 57.03 1x5s h ASP 65 Cb 0.65 0.90 -0.14 0.00 0.68 0.00 0.00 39.33 41.42 1x5s h ASP 65 CO 0.13 -0.25 -0.29 -0.78 -1.61 0.00 0.00 179.24 176.43 1x5s h ASP 66 N -0.01 -1.06 -0.90 2.28 3.58 -1.96 0.45 116.42 118.80 1x5s h ASP 66 Ca 0.20 0.26 0.22 0.00 0.42 0.00 0.00 57.03 58.13 1x5s h ASP 66 Cb 0.46 0.59 -0.12 0.00 1.72 0.00 0.00 39.33 41.98 1x5s h ASP 66 CO -0.94 -0.29 0.40 0.00 -2.88 0.00 0.00 179.24 175.53 1x5s h ALA 67 N 1.44 1.43 -0.26 -0.78 0.00 -0.58 0.49 119.26 121.00 1x5s h ALA 67 Ca 0.33 0.16 -0.12 0.00 0.00 0.00 0.00 54.91 55.27 1x5s h ALA 67 Cb 0.58 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1x5s h ALA 67 CO -0.83 -0.33 -0.32 0.87 0.00 0.00 0.00 179.25 178.65 1x5s h LYS 68 N 0.41 0.68 -0.98 0.00 1.57 0.13 0.41 116.57 118.80 1x5s h LYS 68 Ca 0.56 -0.38 0.16 0.00 -1.87 0.00 0.00 60.65 59.12 1x5s h LYS 68 Cb 1.04 0.02 -0.09 0.00 0.08 0.00 0.00 32.23 33.29 1x5s h LYS 68 CO -0.52 0.99 0.61 0.22 -0.57 0.00 0.00 179.45 180.19 1x5s h ASP 69 N 0.40 0.77 0.47 0.86 1.82 0.82 -1.42 116.42 120.16 1x5s h ASP 69 Ca 0.03 0.07 -0.28 0.00 -0.39 0.00 0.00 57.03 56.47 1x5s h ASP 69 Cb 0.90 -0.08 -0.05 0.00 0.68 0.00 0.00 39.33 40.78 1x5s h ASP 69 CO 0.08 0.34 -1.73 0.00 -1.61 0.00 0.00 179.24 176.32 1x5s n ALA 70 N -2.37 1.58 -0.04 -0.78 0.00 -0.67 -3.78 120.51 114.45 1x5s n ALA 70 Ca 0.21 -0.78 -0.08 0.00 0.00 0.00 0.00 53.44 52.78 1x5s n ALA 70 Cb 0.50 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 19.13 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 0.03 -0.23 0.00 1.85 0.83 0.20 114.93 117.61 1x5s h MET 71 Ca -0.29 -0.00 -0.08 0.00 -0.61 0.00 0.00 59.70 58.72 1x5s h MET 71 Cb 1.95 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 33.96 1x5s h MET 71 CO 0.07 0.02 -0.22 0.52 -0.40 0.00 0.00 176.91 176.90 1x5s h MET 72 N 0.03 0.42 0.46 0.39 2.86 -1.49 0.68 114.93 118.29 1x5s h MET 72 Ca 0.10 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1x5s h MET 72 Cb 0.14 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.77 1x5s h MET 72 CO -0.19 0.62 -0.22 0.00 1.06 0.00 0.00 176.91 178.18 1x5s h ALA 73 N 1.40 -0.62 -0.10 6.32 0.00 -1.46 -3.27 119.26 121.52 1x5s h ALA 73 Ca 0.06 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 1x5s h ALA 73 Cb 0.59 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1x5s h ALA 73 CO 0.04 -0.67 -0.60 0.52 0.00 0.00 0.00 179.25 178.54 1x5s h MET 74 N -0.98 0.35 -5.25 0.00 2.86 -0.64 -3.42 114.93 107.85 1x5s h MET 74 Ca -0.06 -0.23 -0.54 0.00 -2.06 0.00 0.00 59.70 56.81 1x5s h MET 74 Cb 0.58 0.03 -0.07 0.00 0.06 0.00 0.00 31.60 32.21 1x5s h MET 74 CO 0.10 0.84 1.68 -1.71 1.06 0.00 0.00 176.91 178.88 1x5s n ASN 75 N -3.90 0.70 -0.37 1.22 2.85 0.24 0.99 115.26 117.00 1x5s n ASN 75 Ca -0.03 0.16 0.00 0.00 -0.11 0.00 0.00 54.58 54.60 1x5s n ASN 75 Cb 0.62 -1.02 0.00 0.00 1.24 0.00 0.00 39.78 40.62 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 6.56 0.88 3.55 8.20 0.00 -1.26 -4.80 105.19 118.32 1x5s n GLY 76 Ca 0.60 -0.65 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -4.37 2.45 -0.65 1.61 -0.14 0.28 -5.03 119.74 113.89 1x5s s LYS 77 Ca 0.00 -0.77 -0.18 0.00 -1.36 0.00 0.00 55.97 53.66 1x5s s LYS 77 Cb 0.00 -2.42 0.12 0.00 -1.68 0.00 0.00 37.83 33.84 1x5s s LYS 77 CO 0.00 0.59 0.76 -1.54 -0.76 0.00 0.00 175.35 174.41 1x5s s SER 78 N -1.30 6.29 -0.63 2.83 1.04 -1.26 -3.82 113.70 116.85 1x5s s SER 78 Ca 0.16 -1.62 -0.27 0.00 0.48 0.00 0.00 55.95 54.70 1x5s s SER 78 Cb -0.11 -2.31 -0.01 0.00 0.10 0.00 0.00 66.02 63.70 1x5s s SER 78 CO 0.06 -1.07 1.69 0.54 0.98 0.00 0.00 173.24 175.45 1x5s s VAL 79 N 2.47 3.47 -1.03 5.02 0.11 -1.26 -3.22 120.40 125.97 1x5s s VAL 79 Ca 0.15 0.30 -0.06 0.00 -2.93 0.00 0.00 61.98 59.43 1x5s s VAL 79 Cb -0.21 -4.19 0.01 0.00 -1.53 0.00 0.00 36.38 30.46 1x5s s VAL 79 CO 0.03 -1.12 0.90 0.47 -3.33 0.00 0.00 175.10 172.05 1x5s n ASP 80 N 11.66 -4.95 -0.76 3.54 8.00 -1.26 -3.34 116.55 129.44 1x5s n ASP 80 Ca 0.16 -0.42 -0.01 0.00 0.71 0.00 0.00 54.79 55.23 1x5s n ASP 80 Cb 0.51 -4.00 0.00 0.00 -0.02 0.00 0.00 41.12 37.61 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 -1.59 0.76 2.76 0.44 0.00 -1.20 -5.08 105.19 101.28 1x5s n GLY 81 Ca -0.02 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.80 1.00 -1.76 1.61 5.12 -1.21 -5.07 116.66 115.55 1x5s n ARG 82 Ca -0.00 -2.68 -0.02 0.00 -1.93 0.00 0.00 57.85 53.21 1x5s n ARG 82 Cb 0.50 0.55 0.07 0.00 -1.16 0.00 0.00 32.46 32.43 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 -1.15 1.58 -2.36 5.56 6.02 -1.26 -4.02 117.38 121.75 1x5s n GLN 83 Ca -0.10 -3.15 -0.34 0.00 -0.01 0.00 0.00 57.00 53.40 1x5s n GLN 83 Cb 0.47 -1.27 -0.02 0.00 1.02 0.00 0.00 30.24 30.44 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 -2.71 3.69 -0.05 5.09 -4.36 -1.25 -4.90 121.20 116.71 1x5s s ILE 84 Ca 0.37 0.98 0.04 0.00 -0.26 0.00 0.00 60.65 61.78 1x5s s ILE 84 Cb 0.37 -3.40 -0.00 0.00 1.25 0.00 0.00 42.46 40.68 1x5s s ILE 84 CO -0.07 -0.30 -0.19 -0.60 0.24 0.00 0.00 174.94 174.02 1x5s s ARG 85 N -3.48 2.02 -0.13 0.37 3.52 -1.23 -3.33 118.95 116.70 1x5s s ARG 85 Ca 0.67 -0.67 -0.02 0.00 -0.13 0.00 0.00 55.73 55.58 1x5s s ARG 85 Cb -0.17 -1.71 -0.02 0.00 -1.56 0.00 0.00 34.95 31.48 1x5s s ARG 85 CO 0.26 0.24 -0.07 0.08 -0.81 0.00 0.00 175.30 175.00 1x5s s VAL 86 N 0.08 3.63 0.27 7.11 1.01 -1.25 -3.66 120.40 127.60 1x5s s VAL 86 Ca -0.06 -0.46 -0.21 0.00 0.00 0.00 0.00 61.98 61.25 1x5s s VAL 86 Cb -0.13 -2.55 0.04 0.00 0.00 0.00 0.00 36.38 33.74 1x5s s VAL 86 CO 0.03 0.52 0.79 -0.62 0.00 0.00 0.00 175.10 175.82 1x5s s ASP 87 N 0.11 -0.18 -0.24 3.32 2.15 -1.10 -4.01 116.67 116.71 1x5s s ASP 87 Ca -0.02 -0.68 -0.33 0.00 0.43 0.00 0.00 52.55 51.94 1x5s s ASP 87 Cb -0.14 0.70 -0.10 0.00 -0.30 0.00 0.00 42.92 43.09 1x5s s ASP 87 CO 0.03 -1.32 2.11 0.00 -0.17 0.00 0.00 175.17 175.81 1x5s n GLN 88 N -0.49 1.62 -1.52 4.34 6.02 -1.26 -0.16 117.38 125.94 1x5s n GLN 88 Ca -0.05 0.50 -0.40 0.00 -0.01 0.00 0.00 57.00 57.04 1x5s n GLN 88 Cb 0.59 -2.71 -0.09 0.00 1.02 0.00 0.00 30.24 29.05 1x5s n GLN 88 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x5s n ALA 89 N 9.38 0.57 0.12 -1.58 0.00 -1.02 -4.71 120.51 123.26 1x5s n ALA 89 Ca 0.33 -0.57 -0.13 0.00 0.00 0.00 0.00 53.44 53.07 1x5s n ALA 89 Cb 0.30 -2.72 -0.08 0.00 0.00 0.00 0.00 19.45 16.95 1x5s n ALA 89 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1x5s h GLY 90 N 15.53 -0.29 -7.50 0.00 0.00 -1.92 -3.36 103.07 105.53 1x5s h GLY 90 Ca -0.15 0.11 -0.74 0.00 0.00 0.00 0.00 47.33 46.55 1x5s h GLY 90 CO 1.26 -0.10 0.02 1.25 0.00 0.00 0.00 176.54 178.96 1x5s s LYS 91 N -5.25 3.43 -0.14 4.80 2.20 -1.26 -4.52 119.74 119.00 1x5s s LYS 91 Ca -0.15 -3.01 -0.09 0.00 -0.36 0.00 0.00 55.97 52.36 1x5s s LYS 91 Cb 0.03 -4.13 -0.25 0.00 -1.51 0.00 0.00 37.83 31.97 1x5s s LYS 91 CO 0.62 -1.25 0.32 0.45 -0.36 0.00 0.00 175.35 175.13 1x5s n SER 92 N 2.87 2.08 -3.62 1.43 2.88 -1.26 -5.00 113.62 112.99 1x5s n SER 92 Ca 0.18 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 1x5s n SER 92 Cb 0.39 -0.88 -0.06 0.00 -0.75 0.00 0.00 64.21 62.92 1x5s n SER 92 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x5s s SER 93 N -7.01 -0.26 -0.10 -3.46 1.04 -1.26 -5.05 113.70 97.60 1x5s s SER 93 Ca -0.24 0.41 -0.16 0.00 0.48 0.00 0.00 55.95 56.44 1x5s s SER 93 Cb 0.07 1.12 -0.27 0.00 0.10 0.00 0.00 66.02 67.03 1x5s s SER 93 CO 0.73 -0.06 0.56 -2.24 0.98 0.00 0.00 173.24 173.20 1x5s h ASP 94 N 5.65 0.38 0.00 7.02 2.03 -1.99 -3.43 116.42 126.09 1x5s h ASP 94 Ca -0.26 -0.86 0.00 0.00 -0.73 0.00 0.00 57.03 55.18 1x5s h ASP 94 Cb 1.17 -0.12 0.00 0.00 -0.83 0.00 0.00 39.33 39.54 1x5s h ASP 94 CO 0.21 1.62 -0.75 0.59 -1.03 0.00 0.00 179.24 179.88 1x5s n ASN 95 N -3.92 1.58 -4.15 4.15 4.13 -1.26 -4.99 115.26 110.82 1x5s n ASN 95 Ca -0.25 0.33 -0.33 0.00 1.68 0.00 0.00 54.58 56.02 1x5s n ASN 95 Cb 0.90 -0.72 -0.03 0.00 -1.54 0.00 0.00 39.78 38.39 1x5s n ASN 95 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1x5s n ARG 96 N -4.14 -3.16 -4.19 3.52 0.00 -1.26 -4.95 116.66 102.48 1x5s n ARG 96 Ca -0.10 0.37 -0.23 0.00 -0.00 0.00 0.00 57.85 57.89 1x5s n ARG 96 Cb 0.39 -4.88 -0.07 0.00 0.00 0.00 0.00 32.46 27.90 1x5s n ARG 96 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1x5s s SER 97 N -3.65 4.64 0.00 6.15 0.15 -1.26 -5.03 113.70 114.71 1x5s s SER 97 Ca 0.50 -0.71 0.00 0.00 0.70 0.00 0.00 55.95 56.44 1x5s s SER 97 Cb -0.27 -0.79 0.00 0.00 -1.71 0.00 0.00 66.02 63.24 1x5s s SER 97 CO 0.92 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.80 1x5s n GLY 98 N -1.05 0.09 3.76 9.45 0.00 -1.26 -5.14 105.19 111.05 1x5s n GLY 98 Ca -0.05 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.41 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 4.46 -0.04 1.61 0.04 -1.26 -5.05 135.00 134.76 1x5s s PRO 99 Ca 0.00 2.05 -0.04 0.00 0.04 0.00 0.00 61.00 63.06 1x5s s PRO 99 Cb 0.00 -3.12 0.01 0.00 0.04 0.00 0.00 34.50 31.43 1x5s s PRO 99 CO 0.00 -0.05 0.11 -1.54 0.04 0.00 0.00 177.00 175.56 1x5s s SER 100 N -0.55 -0.11 -1.78 6.66 1.04 -1.26 -4.87 113.70 112.82 1x5s s SER 100 Ca 0.48 0.22 -0.19 0.00 0.48 0.00 0.00 55.95 56.94 1x5s s SER 100 Cb -0.37 0.21 0.18 0.00 0.10 0.00 0.00 66.02 66.14 1x5s s SER 100 CO 0.47 -0.05 0.55 -1.54 0.98 0.00 0.00 173.24 173.65 1x5s n SER 101 N 3.14 -1.70 0.00 7.02 3.41 -1.26 -5.36 113.62 118.88 1x5s n SER 101 Ca -0.14 -1.19 0.00 0.00 -0.26 0.00 0.00 58.87 57.28 1x5s n SER 101 Cb 0.58 -1.90 0.00 0.00 -0.26 0.00 0.00 64.21 62.63 1x5s n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49