#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 6.61 -0.08 1.61 0.15 -1.26 -4.95 113.70 115.79 1x5s s SER 2 Ca 0.00 0.52 -0.23 0.00 0.70 0.00 0.00 55.95 56.94 1x5s s SER 2 Cb 0.00 -2.40 -0.19 0.00 -1.71 0.00 0.00 66.02 61.72 1x5s s SER 2 CO 0.00 -0.66 0.87 0.28 1.20 0.00 0.00 173.24 174.93 1x5s h SER 3 N 8.28 -0.07 0.00 5.45 0.02 -2.04 -3.50 113.55 121.68 1x5s h SER 3 Ca -0.25 -0.56 0.00 0.00 -0.84 0.00 0.00 61.79 60.15 1x5s h SER 3 Cb 1.10 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1x5s h SER 3 CO 0.89 0.60 0.00 0.61 -1.14 0.00 0.00 176.83 177.79 1x5s n GLY 4 N 0.91 -0.44 3.02 -3.77 0.00 -1.26 -4.96 105.19 98.69 1x5s n GLY 4 Ca -0.08 -1.83 -0.13 0.00 0.00 0.00 0.00 46.02 43.98 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 -4.00 -0.05 -0.16 1.61 0.15 -1.26 -5.03 113.70 104.96 1x5s s SER 5 Ca 0.00 0.52 0.12 0.00 0.70 0.00 0.00 55.95 57.29 1x5s s SER 5 Cb 0.00 0.46 -0.18 0.00 -1.71 0.00 0.00 66.02 64.59 1x5s s SER 5 CO 0.00 -0.19 0.01 -1.54 1.20 0.00 0.00 173.24 172.73 1x5s n SER 6 N 4.57 1.34 0.00 5.45 3.41 -1.26 -5.12 113.62 122.00 1x5s n SER 6 Ca -0.20 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 1x5s n SER 6 Cb 0.52 0.68 0.00 0.00 -0.26 0.00 0.00 64.21 65.15 1x5s n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x5s n GLY 7 N 2.12 2.10 3.60 5.00 0.00 -1.26 -5.02 105.19 111.73 1x5s n GLY 7 Ca -0.27 -2.18 -0.58 0.00 0.00 0.00 0.00 46.02 42.98 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 -1.05 0.81 -3.79 1.61 1.56 -1.26 -4.93 117.12 110.08 1x5s n MET 8 Ca 0.00 0.28 -0.13 0.00 -0.27 0.00 0.00 57.70 57.58 1x5s n MET 8 Cb 0.00 -2.00 -0.11 0.00 2.15 0.00 0.00 33.22 33.26 1x5s n MET 8 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1x5s s ALA 9 N 4.56 -0.65 -0.33 -5.12 0.00 -1.26 -5.12 121.76 113.83 1x5s s ALA 9 Ca 1.05 0.64 -0.29 0.00 0.00 0.00 0.00 51.96 53.35 1x5s s ALA 9 Cb -1.15 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 21.64 1x5s s ALA 9 CO 0.65 -0.15 1.19 -1.12 0.00 0.00 0.00 175.76 176.33 1x5s s SER 10 N -0.16 6.77 1.12 0.00 0.01 -1.26 -5.02 113.70 115.16 1x5s s SER 10 Ca -0.03 1.06 -0.18 0.00 1.31 0.00 0.00 55.95 58.11 1x5s s SER 10 Cb -0.03 -2.54 0.26 0.00 0.21 0.00 0.00 66.02 63.92 1x5s s SER 10 CO 0.01 -1.02 1.18 -0.90 0.41 0.00 0.00 173.24 172.91 1x5s n ASP 11 N 7.36 -1.00 -0.07 2.44 5.75 -1.26 -5.02 116.55 124.74 1x5s n ASP 11 Ca 0.13 -1.31 -0.08 0.00 -0.01 0.00 0.00 54.79 53.53 1x5s n ASP 11 Cb 0.47 -0.98 -0.12 0.00 -1.03 0.00 0.00 41.12 39.46 1x5s n ASP 11 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1x5s n GLU 12 N -4.25 1.54 0.00 0.11 0.28 -1.26 -5.02 120.64 112.04 1x5s n GLU 12 Ca 0.15 -0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.15 1x5s n GLU 12 Cb 0.57 -1.38 0.00 0.00 1.43 0.00 0.00 31.44 32.05 1x5s n GLU 12 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1x5s n GLY 13 N 2.09 3.14 3.73 -1.84 0.00 -1.26 -4.76 105.19 106.29 1x5s n GLY 13 Ca -0.25 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 44.96 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 4.54 -0.04 1.61 2.20 -1.26 -3.07 119.74 123.73 1x5s s LYS 14 Ca 0.00 1.18 0.00 0.00 -0.36 0.00 0.00 55.97 56.80 1x5s s LYS 14 Cb 0.00 -3.40 -0.03 0.00 -1.51 0.00 0.00 37.83 32.89 1x5s s LYS 14 CO 0.00 0.17 -0.01 -0.51 -0.36 0.00 0.00 175.35 174.64 1x5s s LEU 15 N 0.30 3.48 -0.39 5.43 1.43 -1.24 -0.66 118.68 127.03 1x5s s LEU 15 Ca 0.43 0.04 -0.17 0.00 -1.03 0.00 0.00 54.13 53.40 1x5s s LEU 15 Cb -0.21 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.12 1x5s s LEU 15 CO 0.25 0.32 0.42 0.12 0.23 0.00 0.00 176.35 177.69 1x5s s PHE 16 N -0.98 3.18 -0.10 0.29 5.36 -0.20 -3.90 117.98 121.63 1x5s s PHE 16 Ca 0.16 -0.24 0.00 0.00 -0.96 0.00 0.00 56.93 55.90 1x5s s PHE 16 Cb -0.11 -2.83 -0.02 0.00 -0.34 0.00 0.00 43.02 39.71 1x5s s PHE 16 CO 0.06 -0.62 -0.10 0.08 -1.46 0.00 0.00 175.22 173.19 1x5s s VAL 17 N 2.12 3.42 -0.01 3.12 1.01 -0.91 -3.34 120.40 125.81 1x5s s VAL 17 Ca 0.12 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.55 1x5s s VAL 17 Cb -0.17 -2.42 0.01 0.00 0.00 0.00 0.00 36.38 33.80 1x5s s VAL 17 CO 0.13 0.56 -0.03 -0.83 0.00 0.00 0.00 175.10 174.93 1x5s s GLY 18 N -0.27 0.22 0.00 4.51 0.00 -1.23 -2.67 107.32 107.88 1x5s s GLY 18 Ca 0.03 -0.06 0.00 0.00 0.00 0.00 0.00 44.72 44.69 1x5s s GLY 18 CO 0.03 0.12 0.00 0.61 0.00 0.00 0.00 173.10 173.86 1x5s n GLY 19 N 3.40 0.75 3.58 0.20 0.00 -1.05 -3.17 105.19 108.91 1x5s n GLY 19 Ca -0.18 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.37 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 1.67 -4.56 0.99 4.77 -0.33 -4.69 117.00 114.86 1x5s n LEU 20 Ca 0.00 1.16 -0.31 0.00 -0.03 0.00 0.00 56.01 56.83 1x5s n LEU 20 Cb 0.00 -1.25 0.18 0.00 -2.33 0.00 0.00 43.42 40.01 1x5s n LEU 20 CO 0.00 -1.33 0.41 -0.24 -1.33 0.00 0.00 177.39 174.90 1x5s n SER 21 N 1.69 -0.72 -0.19 -1.43 2.88 -1.26 -4.68 113.62 109.92 1x5s n SER 21 Ca 0.13 0.26 -0.09 0.00 -1.33 0.00 0.00 58.87 57.83 1x5s n SER 21 Cb 0.28 -1.35 0.01 0.00 -0.75 0.00 0.00 64.21 62.40 1x5s n SER 21 CO 0.00 0.00 0.00 2.19 -1.23 0.00 0.00 175.04 176.00 1x5s h PHE 22 N -2.00 1.02 0.00 0.66 -5.15 -1.94 -2.76 116.94 106.77 1x5s h PHE 22 Ca -0.47 -0.17 -0.09 0.00 -0.20 0.00 0.00 57.97 57.04 1x5s h PHE 22 Cb 1.29 -0.27 -0.01 0.00 0.22 0.00 0.00 35.95 37.18 1x5s h PHE 22 CO 0.41 0.92 -0.43 0.38 -2.00 0.00 0.00 178.31 177.59 1x5s h ASP 23 N 0.82 0.00 -2.15 -0.68 2.03 -1.99 -3.44 116.42 111.01 1x5s h ASP 23 Ca 0.16 0.00 -0.60 0.00 -0.73 0.00 0.00 57.03 55.86 1x5s h ASP 23 Cb 0.50 0.00 0.04 0.00 -0.83 0.00 0.00 39.33 39.03 1x5s h ASP 23 CO 0.02 0.43 0.97 0.41 -1.03 0.00 0.00 179.24 180.04 1x5s n THR 24 N -4.00 0.32 -4.49 1.15 -1.04 -1.04 -4.97 114.28 100.21 1x5s n THR 24 Ca -0.02 -0.06 -0.24 0.00 -2.04 0.00 0.00 64.05 61.69 1x5s n THR 24 Cb 0.46 -1.73 -0.09 0.00 -1.82 0.00 0.00 70.33 67.15 1x5s n THR 24 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1x5s s ASN 25 N 2.64 2.60 0.30 8.00 2.47 -1.26 -4.85 114.94 124.84 1x5s s ASN 25 Ca 0.86 -1.59 0.03 0.00 0.42 0.00 0.00 52.86 52.58 1x5s s ASN 25 Cb -0.68 0.35 0.76 0.00 -1.45 0.00 0.00 41.25 40.24 1x5s s ASN 25 CO 0.45 -0.85 1.61 -0.33 -3.72 0.00 0.00 177.10 174.26 1x5s h GLU 26 N 1.90 0.10 0.34 0.43 5.08 -1.97 0.96 114.58 121.42 1x5s h GLU 26 Ca -0.37 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 1x5s h GLU 26 Cb 1.27 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1x5s h GLU 26 CO 0.60 0.07 -0.16 0.37 -1.00 0.00 0.00 179.01 178.88 1x5s h GLN 27 N 0.11 -0.44 -0.08 2.33 4.15 -1.98 -2.69 115.11 116.50 1x5s h GLN 27 Ca 0.58 0.03 0.02 0.00 0.77 0.00 0.00 58.65 60.05 1x5s h GLN 27 Cb 1.23 0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.98 1x5s h GLN 27 CO -0.77 -0.25 -0.33 0.77 -1.93 0.00 0.00 178.83 176.33 1x5s h SER 28 N -0.53 -1.04 -0.92 -0.69 0.02 -1.22 -0.05 113.55 109.12 1x5s h SER 28 Ca -0.05 0.12 0.22 0.00 -0.84 0.00 0.00 61.79 61.25 1x5s h SER 28 Cb 0.40 0.41 -0.17 0.00 0.14 0.00 0.00 62.40 63.17 1x5s h SER 28 CO 0.08 -0.29 -0.06 -0.07 -1.14 0.00 0.00 176.83 175.35 1x5s h LEU 29 N -0.35 -0.56 -0.51 5.07 3.38 -1.35 0.53 115.31 121.51 1x5s h LEU 29 Ca 0.02 0.26 0.01 0.00 0.09 0.00 0.00 57.88 58.26 1x5s h LEU 29 Cb 0.41 0.48 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 1x5s h LEU 29 CO -0.26 -0.30 0.33 -0.08 0.09 0.00 0.00 178.44 178.22 1x5s h GLU 30 N 0.03 0.64 0.00 1.13 4.81 -0.93 0.25 114.58 120.51 1x5s h GLU 30 Ca 0.51 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.69 1x5s h GLU 30 Cb 0.94 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.18 1x5s h GLU 30 CO -0.87 0.42 -0.03 1.96 -0.73 0.00 0.00 179.01 179.76 1x5s h GLN 31 N 0.66 0.00 0.00 1.92 4.20 0.18 -1.07 115.11 121.00 1x5s h GLN 31 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1x5s h GLN 31 Cb -0.04 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.74 1x5s h GLN 31 CO -0.06 0.03 0.00 0.28 -0.67 0.00 0.00 178.83 178.41 1x5s n VAL 32 N -4.36 0.00 -0.35 -0.54 0.31 -0.36 -4.02 118.33 109.01 1x5s n VAL 32 Ca -0.03 0.41 0.32 0.00 -0.01 0.00 0.00 64.34 65.03 1x5s n VAL 32 Cb 0.11 -1.29 0.58 0.00 -0.91 0.00 0.00 33.84 32.34 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 0.79 -0.74 3.52 -1.00 -0.63 0.74 116.94 119.61 1x5s h PHE 33 Ca 0.00 0.04 0.13 0.00 2.81 0.00 0.00 57.97 60.95 1x5s h PHE 33 Cb 0.00 -0.19 -0.09 0.00 3.61 0.00 0.00 35.95 39.28 1x5s h PHE 33 CO 0.00 -0.37 0.30 1.03 -1.61 0.00 0.00 178.31 177.66 1x5s h SER 34 N 0.08 0.29 -0.06 2.17 0.87 -1.37 0.33 113.55 115.86 1x5s h SER 34 Ca 0.83 0.10 0.02 0.00 -1.23 0.00 0.00 61.79 61.51 1x5s h SER 34 Cb 2.22 0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 64.25 1x5s h SER 34 CO -0.67 0.12 0.05 0.11 -0.53 0.00 0.00 176.83 175.91 1x5s h LYS 35 N 0.45 0.00 0.23 2.24 1.79 0.36 -2.05 116.57 119.60 1x5s h LYS 35 Ca 0.40 0.00 -0.34 0.00 -2.18 0.00 0.00 60.65 58.53 1x5s h LYS 35 Cb 0.59 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.26 1x5s h LYS 35 CO -0.39 0.00 -1.60 1.88 -1.08 0.00 0.00 179.45 178.26 1x5s h TYR 36 N 0.00 0.87 0.00 -1.35 -1.99 -0.41 -3.50 116.97 110.60 1x5s h TYR 36 Ca 0.03 -0.64 0.00 0.00 2.00 0.00 0.00 58.73 60.12 1x5s h TYR 36 Cb 0.13 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 38.82 1x5s h TYR 36 CO 0.00 1.61 0.00 0.41 -0.00 0.00 0.00 178.16 180.18 1x5s n GLY 37 N 1.78 2.71 3.79 3.88 0.00 -0.28 -4.69 105.19 112.38 1x5s n GLY 37 Ca -0.20 -0.31 -0.36 0.00 0.00 0.00 0.00 46.02 45.15 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 2.79 3.30 0.21 1.61 -0.21 -1.26 -4.25 119.66 121.85 1x5s s GLN 38 Ca 0.00 -0.25 0.09 0.00 0.02 0.00 0.00 55.36 55.21 1x5s s GLN 38 Cb 0.00 -3.04 -0.04 0.00 1.00 0.00 0.00 33.01 30.93 1x5s s GLN 38 CO 0.00 0.72 -0.04 0.42 -2.12 0.00 0.00 175.29 174.27 1x5s s ILE 39 N -0.88 3.42 0.00 1.08 1.01 -1.26 -4.64 121.20 119.93 1x5s s ILE 39 Ca 0.14 -1.69 0.00 0.00 0.00 0.00 0.00 60.65 59.09 1x5s s ILE 39 Cb -0.12 -2.75 0.00 0.00 0.01 0.00 0.00 42.46 39.60 1x5s s ILE 39 CO 0.03 -0.21 0.00 -1.54 0.00 0.00 0.00 174.94 173.22 1x5s n SER 40 N -0.35 3.22 -3.52 3.58 3.41 -0.30 -4.81 113.62 114.86 1x5s n SER 40 Ca -0.09 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.40 1x5s n SER 40 Cb 0.57 0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 64.52 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 -1.78 0.89 0.09 4.33 2.12 -1.13 -4.98 118.70 118.24 1x5s s GLU 41 Ca 0.00 -0.04 0.07 0.00 0.36 0.00 0.00 54.97 55.35 1x5s s GLU 41 Cb 0.00 0.42 -0.03 0.00 0.26 0.00 0.00 34.13 34.77 1x5s s GLU 41 CO 0.00 -0.33 -0.18 0.08 -0.54 0.00 0.00 175.26 174.29 1x5s s VAL 42 N -2.11 1.43 -0.14 3.70 1.01 -1.26 0.47 120.40 123.49 1x5s s VAL 42 Ca -0.02 -1.42 -0.04 0.00 0.00 0.00 0.00 61.98 60.50 1x5s s VAL 42 Cb -0.01 -1.32 0.06 0.00 0.00 0.00 0.00 36.38 35.11 1x5s s VAL 42 CO -0.01 -0.13 0.12 -0.69 0.00 0.00 0.00 175.10 174.38 1x5s s VAL 43 N -1.20 -0.16 -0.21 2.92 1.01 0.18 -4.98 120.40 117.96 1x5s s VAL 43 Ca 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.01 1x5s s VAL 43 Cb -0.10 -0.48 0.02 0.00 0.00 0.00 0.00 36.38 35.82 1x5s s VAL 43 CO 0.03 -0.13 -0.12 -0.69 0.00 0.00 0.00 175.10 174.19 1x5s s VAL 44 N 2.20 2.63 0.07 2.92 1.01 -1.26 0.21 120.40 128.17 1x5s s VAL 44 Ca 0.04 -0.87 -0.31 0.00 0.00 0.00 0.00 61.98 60.84 1x5s s VAL 44 Cb -0.15 -2.22 -0.06 0.00 0.00 0.00 0.00 36.38 33.95 1x5s s VAL 44 CO -0.08 0.39 1.31 -0.69 0.00 0.00 0.00 175.10 176.03 1x5s s VAL 45 N 1.34 3.69 0.22 2.92 1.01 -1.19 -4.91 120.40 123.48 1x5s s VAL 45 Ca 0.03 1.19 0.11 0.00 0.00 0.00 0.00 61.98 63.31 1x5s s VAL 45 Cb -0.15 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 1x5s s VAL 45 CO -0.08 0.07 -0.20 -0.54 0.00 0.00 0.00 175.10 174.35 1x5s s LYS 46 N 1.35 1.50 1.36 2.72 1.02 -1.26 0.33 119.74 126.76 1x5s s LYS 46 Ca 0.62 -1.59 -0.21 0.00 0.02 0.00 0.00 55.97 54.80 1x5s s LYS 46 Cb -0.33 -1.62 0.34 0.00 -0.52 0.00 0.00 37.83 35.71 1x5s s LYS 46 CO 0.29 0.32 0.98 0.34 -0.92 0.00 0.00 175.35 176.36 1x5s s ASP 47 N -3.04 -0.52 -0.05 2.83 2.15 -1.26 -4.77 116.67 112.00 1x5s s ASP 47 Ca 0.23 0.83 0.16 0.00 0.43 0.00 0.00 52.55 54.21 1x5s s ASP 47 Cb -0.06 -1.19 -0.24 0.00 -0.30 0.00 0.00 42.92 41.13 1x5s s ASP 47 CO 0.11 -5.03 0.29 -2.11 -0.17 0.00 0.00 175.17 168.26 1x5s n ARG 48 N -5.41 0.73 -0.04 4.34 1.85 -1.26 -3.31 116.66 113.56 1x5s n ARG 48 Ca 0.12 -0.12 -0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1x5s n ARG 48 Cb 0.60 -1.40 -0.00 0.00 -1.05 0.00 0.00 32.46 30.61 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 0.00 0.00 2.89 4.81 -2.07 -3.40 114.58 116.81 1x5s h GLU 49 Ca -0.10 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.87 1x5s h GLU 49 Cb 1.04 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.38 1x5s h GLU 49 CO 0.01 0.00 -1.78 0.25 -0.73 0.00 0.00 179.01 176.76 1x5s n THR 50 N -4.10 1.40 -3.69 0.32 -2.24 -1.26 -4.99 114.28 99.71 1x5s n THR 50 Ca -0.00 -0.77 -0.24 0.00 -2.27 0.00 0.00 64.05 60.77 1x5s n THR 50 Cb 0.02 -0.81 0.05 0.00 -2.10 0.00 0.00 70.33 67.49 1x5s n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x5s n GLN 51 N -2.92 -6.07 0.00 -0.78 6.02 -1.21 -4.94 117.38 107.48 1x5s n GLN 51 Ca -0.18 0.70 0.00 0.00 -0.01 0.00 0.00 57.00 57.51 1x5s n GLN 51 Cb 1.00 -5.55 0.00 0.00 1.02 0.00 0.00 30.24 26.71 1x5s n GLN 51 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1x5s n ARG 52 N -4.53 0.00 -3.22 -1.09 0.63 -1.26 -4.79 116.66 102.40 1x5s n ARG 52 Ca -0.13 0.15 0.04 0.00 -0.92 0.00 0.00 57.85 56.99 1x5s n ARG 52 Cb 0.61 -0.64 -0.03 0.00 0.45 0.00 0.00 32.46 32.84 1x5s n ARG 52 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1x5s s SER 53 N -3.59 -0.29 0.27 6.15 0.15 -1.26 -4.85 113.70 110.29 1x5s s SER 53 Ca 0.00 0.30 -0.00 0.00 0.70 0.00 0.00 55.95 56.95 1x5s s SER 53 Cb 0.00 1.29 0.50 0.00 -1.71 0.00 0.00 66.02 66.10 1x5s s SER 53 CO 0.00 -0.05 1.85 0.03 1.20 0.00 0.00 173.24 176.26 1x5s h ARG 54 N 7.53 1.00 0.00 5.44 2.47 -0.43 -3.45 114.38 126.95 1x5s h ARG 54 Ca -0.13 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.53 1x5s h ARG 54 Cb 1.14 -0.23 0.00 0.00 -1.65 0.00 0.00 29.97 29.24 1x5s h ARG 54 CO -0.02 0.66 0.00 0.41 0.56 0.00 0.00 179.97 181.59 1x5s n GLY 55 N -1.35 0.54 3.47 0.04 0.00 -1.26 -5.03 105.19 101.60 1x5s n GLY 55 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.30 1.05 0.00 1.61 -0.71 -1.26 -1.18 117.98 116.19 1x5s s PHE 56 Ca 0.00 -1.28 0.00 0.00 -1.04 0.00 0.00 56.93 54.61 1x5s s PHE 56 Cb 0.00 -0.12 0.00 0.00 -1.21 0.00 0.00 43.02 41.69 1x5s s PHE 56 CO 0.00 -1.09 0.00 0.41 -1.34 0.00 0.00 175.22 173.20 1x5s n GLY 57 N -0.54 0.60 3.49 1.99 0.00 -1.09 -3.19 105.19 106.45 1x5s n GLY 57 Ca 0.01 -0.74 -0.15 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.30 -0.61 -0.17 1.61 0.40 0.13 -2.14 117.98 114.90 1x5s s PHE 58 Ca 0.00 1.35 0.01 0.00 -0.60 0.00 0.00 56.93 57.69 1x5s s PHE 58 Cb 0.00 0.26 0.02 0.00 0.51 0.00 0.00 43.02 43.81 1x5s s PHE 58 CO 0.00 -0.41 -0.19 0.08 0.70 0.00 0.00 175.22 175.40 1x5s s VAL 59 N -0.28 1.96 0.12 -0.44 1.01 -1.25 0.47 120.40 121.99 1x5s s VAL 59 Ca -0.05 -0.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.76 1x5s s VAL 59 Cb -0.03 -1.78 -0.06 0.00 0.00 0.00 0.00 36.38 34.51 1x5s s VAL 59 CO 0.04 0.52 0.94 -0.89 0.00 0.00 0.00 175.10 175.71 1x5s s THR 60 N 1.28 4.49 -0.19 3.92 2.01 0.18 -3.65 115.64 123.67 1x5s s THR 60 Ca 0.04 2.03 -0.03 0.00 0.31 0.00 0.00 61.69 64.03 1x5s s THR 60 Cb -0.13 -4.30 -0.02 0.00 0.01 0.00 0.00 72.50 68.06 1x5s s THR 60 CO -0.11 0.34 -0.05 -0.36 -0.69 0.00 0.00 174.62 173.74 1x5s s PHE 61 N -0.11 2.96 0.26 4.92 0.40 -1.17 -1.15 117.98 124.08 1x5s s PHE 61 Ca 0.46 -0.68 -0.08 0.00 -0.60 0.00 0.00 56.93 56.03 1x5s s PHE 61 Cb -0.23 -2.03 0.44 0.00 0.51 0.00 0.00 43.02 41.71 1x5s s PHE 61 CO 0.29 -0.34 1.60 0.93 0.70 0.00 0.00 175.22 178.40 1x5s h GLU 62 N 7.50 0.03 -5.02 0.44 4.39 -1.87 -3.35 114.58 116.70 1x5s h GLU 62 Ca -0.36 -0.00 -0.65 0.00 0.34 0.00 0.00 59.36 58.69 1x5s h GLU 62 Cb 1.18 -0.01 -0.24 0.00 -0.10 0.00 0.00 28.75 29.58 1x5s h GLU 62 CO 0.60 0.02 -0.66 -0.80 -1.16 0.00 0.00 179.01 177.01 1x5s s ASN 63 N -5.20 4.85 0.31 1.42 0.01 -1.26 -4.99 114.94 110.09 1x5s s ASN 63 Ca -0.14 -0.24 0.06 0.00 -0.71 0.00 0.00 52.86 51.83 1x5s s ASN 63 Cb 0.24 -1.85 0.85 0.00 0.41 0.00 0.00 41.25 40.90 1x5s s ASN 63 CO 0.76 0.00 1.62 0.40 -1.51 0.00 0.00 177.10 178.38 1x5s h ILE 64 N 5.52 0.20 0.10 0.60 2.04 -1.86 -1.33 117.51 122.79 1x5s h ILE 64 Ca -0.38 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1x5s h ILE 64 Cb 1.17 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1x5s h ILE 64 CO 0.60 0.03 -0.26 -0.78 0.00 0.00 0.00 178.15 177.73 1x5s h ASP 65 N 0.15 -0.77 -0.98 1.72 3.58 -1.94 -2.52 116.42 115.65 1x5s h ASP 65 Ca 0.62 0.08 0.17 0.00 0.42 0.00 0.00 57.03 58.32 1x5s h ASP 65 Cb 1.36 0.28 -0.17 0.00 1.72 0.00 0.00 39.33 42.51 1x5s h ASP 65 CO -0.73 -0.29 -0.31 0.47 -2.88 0.00 0.00 179.24 175.50 1x5s n ASP 66 N -3.94 -0.50 -0.34 2.28 9.92 -0.52 0.13 116.55 123.59 1x5s n ASP 66 Ca -0.05 1.69 0.19 0.00 -0.53 0.00 0.00 54.79 56.10 1x5s n ASP 66 Cb 0.21 -0.45 0.41 0.00 -0.64 0.00 0.00 41.12 40.65 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 1.64 1.81 0.10 2.24 0.00 -1.21 -0.86 119.26 122.99 1x5s h ALA 67 Ca 0.40 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.46 1x5s h ALA 67 Cb 0.65 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1x5s h ALA 67 CO -0.99 -0.39 -0.05 0.87 0.00 0.00 0.00 179.25 178.69 1x5s h LYS 68 N 0.46 -0.13 -1.08 0.00 1.57 0.13 0.38 116.57 117.90 1x5s h LYS 68 Ca 0.67 0.01 0.33 0.00 -1.87 0.00 0.00 60.65 59.78 1x5s h LYS 68 Cb 1.37 0.03 -0.13 0.00 0.08 0.00 0.00 32.23 33.59 1x5s h LYS 68 CO -0.53 0.38 0.66 0.22 -0.57 0.00 0.00 179.45 179.60 1x5s h ASP 69 N -0.81 0.45 0.87 0.86 1.82 -0.05 0.72 116.42 120.29 1x5s h ASP 69 Ca -0.01 0.14 -0.12 0.00 -0.39 0.00 0.00 57.03 56.65 1x5s h ASP 69 Cb 0.57 0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.65 1x5s h ASP 69 CO 0.02 -0.06 -1.20 0.00 -1.61 0.00 0.00 179.24 176.39 1x5s h ALA 70 N 1.72 0.63 -0.36 -0.78 0.00 -1.23 -3.29 119.26 115.94 1x5s h ALA 70 Ca 0.71 -0.59 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1x5s h ALA 70 Cb 1.79 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.75 1x5s h ALA 70 CO -0.47 0.65 -0.25 1.98 0.00 0.00 0.00 179.25 181.16 1x5s h MET 71 N 0.00 0.80 -0.14 0.00 1.85 0.26 -0.59 114.93 117.11 1x5s h MET 71 Ca -0.11 -0.38 -0.10 0.00 -0.61 0.00 0.00 59.70 58.50 1x5s h MET 71 Cb 1.41 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 33.43 1x5s h MET 71 CO 0.04 1.01 -0.37 0.52 -0.40 0.00 0.00 176.91 177.71 1x5s h MET 72 N 0.59 0.28 -0.01 0.39 2.07 -0.94 0.63 114.93 117.96 1x5s h MET 72 Ca 0.07 -0.13 -0.02 0.00 -2.07 0.00 0.00 59.70 57.56 1x5s h MET 72 Cb 0.82 -0.01 0.00 0.00 -1.87 0.00 0.00 31.60 30.54 1x5s h MET 72 CO 0.07 0.62 -0.06 0.00 1.07 0.00 0.00 176.91 178.60 1x5s h ALA 73 N 1.38 0.02 -0.06 6.32 0.00 -1.60 -3.31 119.26 122.00 1x5s h ALA 73 Ca 0.03 -0.38 -0.19 0.00 0.00 0.00 0.00 54.91 54.37 1x5s h ALA 73 Cb 0.77 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1x5s h ALA 73 CO 0.06 -0.08 -0.77 0.52 0.00 0.00 0.00 179.25 178.98 1x5s h MET 74 N -0.62 0.36 -5.06 0.00 2.86 -1.10 -3.42 114.93 107.95 1x5s h MET 74 Ca -0.01 -0.32 -0.46 0.00 -2.06 0.00 0.00 59.70 56.85 1x5s h MET 74 Cb 0.77 0.07 -0.08 0.00 0.06 0.00 0.00 31.60 32.41 1x5s h MET 74 CO 0.01 0.97 1.76 -1.71 1.06 0.00 0.00 176.91 179.00 1x5s n ASN 75 N -3.81 0.20 -0.45 1.22 5.15 0.22 0.11 115.26 117.90 1x5s n ASN 75 Ca -0.04 -0.03 0.00 0.00 -0.60 0.00 0.00 54.58 53.91 1x5s n ASN 75 Cb 0.73 -0.93 0.00 0.00 -0.53 0.00 0.00 39.78 39.05 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 6.30 0.94 2.09 8.20 0.00 -1.26 -4.78 105.19 116.68 1x5s n GLY 76 Ca 0.64 -0.57 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 1x5s n GLY 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x5s n LYS 77 N -0.45 1.02 -3.86 1.61 4.76 0.29 -5.01 118.16 116.52 1x5s n LYS 77 Ca 0.00 -1.86 -0.26 0.00 -2.87 0.00 0.00 58.31 53.32 1x5s n LYS 77 Cb 0.42 0.17 -0.17 0.00 -1.84 0.00 0.00 35.03 33.61 1x5s n LYS 77 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1x5s s SER 78 N -2.79 2.01 -0.40 4.39 0.01 -1.26 -3.57 113.70 112.09 1x5s s SER 78 Ca 0.19 -0.24 -0.11 0.00 1.31 0.00 0.00 55.95 57.09 1x5s s SER 78 Cb -0.01 -0.72 0.05 0.00 0.21 0.00 0.00 66.02 65.54 1x5s s SER 78 CO 0.12 -0.14 0.25 0.54 0.41 0.00 0.00 173.24 174.42 1x5s s VAL 79 N 1.79 4.60 -1.22 3.43 0.11 -1.26 -4.45 120.40 123.39 1x5s s VAL 79 Ca 0.05 -1.03 -0.04 0.00 -2.93 0.00 0.00 61.98 58.03 1x5s s VAL 79 Cb -0.12 -3.66 0.00 0.00 -1.53 0.00 0.00 36.38 31.07 1x5s s VAL 79 CO -0.07 -0.36 0.49 0.47 -3.33 0.00 0.00 175.10 172.30 1x5s n ASP 80 N 5.01 -5.16 -0.95 3.54 8.00 -1.26 -3.37 116.55 122.36 1x5s n ASP 80 Ca -0.11 -0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.16 1x5s n ASP 80 Cb 0.45 -4.00 0.00 0.00 -0.02 0.00 0.00 41.12 37.55 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 -1.37 0.46 3.27 0.44 0.00 -1.26 -5.09 105.19 101.64 1x5s n GLY 81 Ca -0.09 -0.47 -0.28 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 -0.95 0.82 -2.02 1.61 5.12 -1.22 -5.08 116.66 114.94 1x5s n ARG 82 Ca 0.00 -3.34 -0.03 0.00 -1.93 0.00 0.00 57.85 52.55 1x5s n ARG 82 Cb 0.48 1.09 0.06 0.00 -1.16 0.00 0.00 32.46 32.93 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 -1.09 1.61 -1.47 5.56 10.64 -1.26 -4.29 117.38 127.08 1x5s n GLN 83 Ca -0.16 -3.20 -0.30 0.00 -1.83 0.00 0.00 57.00 51.51 1x5s n GLN 83 Cb 0.58 -1.31 0.11 0.00 -0.86 0.00 0.00 30.24 28.77 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 -2.86 2.68 0.15 -0.39 -4.36 -1.23 -4.96 121.20 110.24 1x5s s ILE 84 Ca 0.35 0.22 0.05 0.00 -0.26 0.00 0.00 60.65 61.02 1x5s s ILE 84 Cb 0.36 -2.91 -0.04 0.00 1.25 0.00 0.00 42.46 41.12 1x5s s ILE 84 CO -0.06 -0.29 -0.12 -0.13 0.24 0.00 0.00 174.94 174.58 1x5s s ARG 85 N -5.14 1.10 -0.01 0.37 0.52 -1.19 -3.33 118.95 111.28 1x5s s ARG 85 Ca 0.62 -1.44 0.04 0.00 -0.52 0.00 0.00 55.73 54.43 1x5s s ARG 85 Cb -0.15 -0.76 -0.01 0.00 0.52 0.00 0.00 34.95 34.55 1x5s s ARG 85 CO 0.55 0.11 -0.12 0.08 0.02 0.00 0.00 175.30 175.94 1x5s s VAL 86 N -3.06 0.96 0.08 3.52 1.01 -1.26 -3.49 120.40 118.17 1x5s s VAL 86 Ca 0.16 -0.55 -0.26 0.00 0.00 0.00 0.00 61.98 61.33 1x5s s VAL 86 Cb 0.01 -0.81 0.08 0.00 0.00 0.00 0.00 36.38 35.66 1x5s s VAL 86 CO 0.02 0.25 0.80 1.51 0.00 0.00 0.00 175.10 177.68 1x5s s ASP 87 N -0.35 -0.40 0.22 3.32 -4.77 -1.21 -4.24 116.67 109.23 1x5s s ASP 87 Ca 0.04 -0.08 -0.32 0.00 -3.30 0.00 0.00 52.55 48.90 1x5s s ASP 87 Cb -0.05 0.48 -0.14 0.00 -1.09 0.00 0.00 42.92 42.12 1x5s s ASP 87 CO -0.00 -0.80 1.39 0.00 0.70 0.00 0.00 175.17 176.45 1x5s n GLN 88 N -0.32 1.88 -3.59 2.11 10.64 -1.26 -1.03 117.38 125.80 1x5s n GLN 88 Ca -0.11 0.67 -0.38 0.00 -1.83 0.00 0.00 57.00 55.36 1x5s n GLN 88 Cb 0.62 -2.32 -0.06 0.00 -0.86 0.00 0.00 30.24 27.63 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 0.05 4.25 -0.53 2.61 0.00 0.16 -4.52 121.76 123.78 1x5s s ALA 89 Ca 0.71 -3.77 0.01 0.00 0.00 0.00 0.00 51.96 48.91 1x5s s ALA 89 Cb -0.69 -2.95 0.14 0.00 0.00 0.00 0.00 23.12 19.61 1x5s s ALA 89 CO 0.49 -2.16 0.30 0.20 0.00 0.00 0.00 175.76 174.58 1x5s s GLY 90 N 0.25 2.40 -0.24 0.00 0.00 -1.26 -4.59 107.32 103.87 1x5s s GLY 90 Ca 0.27 -3.17 -0.16 0.00 0.00 0.00 0.00 44.72 41.65 1x5s s GLY 90 CO -0.11 1.03 -0.23 1.17 0.00 0.00 0.00 173.10 174.97 1x5s n LYS 91 N 3.40 0.57 -3.58 2.90 4.81 -1.26 -4.84 118.16 120.16 1x5s n LYS 91 Ca 0.06 0.33 -0.40 0.00 -0.87 0.00 0.00 58.31 57.42 1x5s n LYS 91 Cb 0.35 -1.55 -0.09 0.00 0.02 0.00 0.00 35.03 33.77 1x5s n LYS 91 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1x5s s SER 92 N -7.01 5.66 -0.23 3.14 1.04 -1.26 -5.05 113.70 109.98 1x5s s SER 92 Ca -0.34 -1.89 -0.01 0.00 0.48 0.00 0.00 55.95 54.20 1x5s s SER 92 Cb 0.11 -1.99 0.03 0.00 0.10 0.00 0.00 66.02 64.26 1x5s s SER 92 CO 0.48 -0.67 -0.09 -0.55 0.98 0.00 0.00 173.24 173.39 1x5s s SER 93 N 2.55 4.09 0.47 7.02 0.15 -1.26 -5.11 113.70 121.61 1x5s s SER 93 Ca 0.06 -0.87 0.08 0.00 0.70 0.00 0.00 55.95 55.93 1x5s s SER 93 Cb -0.26 -1.62 0.03 0.00 -1.71 0.00 0.00 66.02 62.47 1x5s s SER 93 CO -0.01 -0.10 0.63 1.51 1.20 0.00 0.00 173.24 176.47 1x5s s ASP 94 N 1.30 5.41 0.68 5.45 1.47 -1.26 -5.11 116.67 124.60 1x5s s ASP 94 Ca 0.00 -0.61 -0.11 0.00 1.18 0.00 0.00 52.55 53.02 1x5s s ASP 94 Cb -0.16 -0.30 -0.00 0.00 -0.34 0.00 0.00 42.92 42.11 1x5s s ASP 94 CO -0.06 -0.96 1.05 0.20 0.68 0.00 0.00 175.17 176.08 1x5s s ASN 95 N -4.44 5.57 0.19 2.11 0.01 -1.26 -5.04 114.94 112.08 1x5s s ASN 95 Ca 0.56 1.58 -0.20 0.00 -0.71 0.00 0.00 52.86 54.09 1x5s s ASN 95 Cb -0.08 -2.49 -0.08 0.00 0.41 0.00 0.00 41.25 39.01 1x5s s ASN 95 CO 0.34 -1.32 0.71 -0.60 -1.51 0.00 0.00 177.10 174.72 1x5s s ARG 96 N -5.05 4.29 0.87 -0.60 3.52 -1.26 -5.04 118.95 115.68 1x5s s ARG 96 Ca 0.58 0.89 -0.12 0.00 -0.13 0.00 0.00 55.73 56.94 1x5s s ARG 96 Cb -0.13 -2.99 0.08 0.00 -1.56 0.00 0.00 34.95 30.34 1x5s s ARG 96 CO 0.54 0.46 0.92 0.43 -0.81 0.00 0.00 175.30 176.84 1x5s n SER 97 N 1.00 -0.19 -4.91 -2.12 7.64 -1.26 -4.99 113.62 108.78 1x5s n SER 97 Ca -0.04 0.47 -0.27 0.00 1.01 0.00 0.00 58.87 60.04 1x5s n SER 97 Cb 0.51 -1.39 -0.00 0.00 -1.01 0.00 0.00 64.21 62.31 1x5s n SER 97 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x5s s GLY 98 N -2.18 1.48 0.92 0.23 0.00 -1.26 -5.09 107.32 101.43 1x5s s GLY 98 Ca 0.66 -0.54 -0.16 0.00 0.00 0.00 0.00 44.72 44.69 1x5s s GLY 98 CO 0.58 -0.38 0.82 -1.55 0.00 0.00 0.00 173.10 172.57 1x5s n PRO 99 N -2.22 -2.63 -4.38 2.90 -0.04 -1.26 -5.08 135.00 122.29 1x5s n PRO 99 Ca 0.00 -1.31 -0.24 0.00 -0.04 0.00 0.00 63.50 61.91 1x5s n PRO 99 Cb 0.55 -1.23 -0.09 0.00 -0.04 0.00 0.00 33.50 32.70 1x5s n PRO 99 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x5s s SER 100 N -3.71 4.07 0.13 3.54 0.15 -1.26 -5.15 113.70 111.47 1x5s s SER 100 Ca 0.53 -0.89 0.08 0.00 0.70 0.00 0.00 55.95 56.37 1x5s s SER 100 Cb -0.05 -0.55 -0.04 0.00 -1.71 0.00 0.00 66.02 63.67 1x5s s SER 100 CO 0.41 -0.05 -0.19 -0.55 1.20 0.00 0.00 173.24 174.06 1x5s s SER 101 N -3.62 2.55 0.00 5.45 0.15 -1.26 -5.36 113.70 111.60 1x5s s SER 101 Ca 0.32 -0.77 0.07 0.00 0.70 0.00 0.00 55.95 56.27 1x5s s SER 101 Cb -0.04 -0.14 0.43 0.00 -1.71 0.00 0.00 66.02 64.56 1x5s s SER 101 CO 0.18 -0.00 0.89 0.61 1.20 0.00 0.00 173.24 176.12