#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 5.02 -0.25 1.61 0.01 -1.26 -5.06 113.70 113.77 1x5s s SER 2 Ca 0.00 -1.81 -0.17 0.00 1.31 0.00 0.00 55.95 55.28 1x5s s SER 2 Cb 0.00 -1.74 0.07 0.00 0.21 0.00 0.00 66.02 64.56 1x5s s SER 2 CO 0.00 -0.41 0.64 -0.44 0.41 0.00 0.00 173.24 173.44 1x5s s SER 3 N 1.44 -0.81 0.00 2.44 0.01 -1.26 -5.15 113.70 110.38 1x5s s SER 3 Ca 0.04 1.37 0.00 0.00 1.31 0.00 0.00 55.95 58.68 1x5s s SER 3 Cb -0.21 1.29 0.00 0.00 0.21 0.00 0.00 66.02 67.31 1x5s s SER 3 CO -0.04 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 173.99 1x5s n GLY 4 N 3.80 0.51 3.71 3.44 0.00 -1.26 -4.93 105.19 110.47 1x5s n GLY 4 Ca -0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 1x5s n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x5s n SER 5 N 0.00 -2.85 -4.26 1.61 7.64 -1.26 -4.99 113.62 109.51 1x5s n SER 5 Ca 0.00 -0.75 -0.23 0.00 1.01 0.00 0.00 58.87 58.89 1x5s n SER 5 Cb 0.00 -4.26 -0.13 0.00 -1.01 0.00 0.00 64.21 58.82 1x5s n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x5s s SER 6 N -3.96 2.37 0.00 6.43 0.01 -1.26 -5.06 113.70 112.23 1x5s s SER 6 Ca 0.25 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.88 1x5s s SER 6 Cb -0.12 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 65.97 1x5s s SER 6 CO 0.80 0.06 0.00 0.61 0.41 0.00 0.00 173.24 175.12 1x5s n GLY 7 N 1.32 -0.89 3.91 3.44 0.00 -1.26 -5.03 105.19 106.67 1x5s n GLY 7 Ca -0.19 0.55 -0.27 0.00 0.00 0.00 0.00 46.02 46.10 1x5s n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x5s n MET 8 N 0.00 -4.56 -3.64 1.61 2.00 -1.26 -4.96 117.12 106.31 1x5s n MET 8 Ca 0.00 0.53 -0.06 0.00 0.00 0.00 0.00 57.70 58.17 1x5s n MET 8 Cb 0.00 -5.14 -0.07 0.00 0.00 0.00 0.00 33.22 28.01 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 -3.55 -2.03 -0.20 3.04 0.00 -1.26 -4.93 121.76 112.84 1x5s s ALA 9 Ca 0.35 2.22 -0.16 0.00 0.00 0.00 0.00 51.96 54.36 1x5s s ALA 9 Cb -0.18 -1.50 -0.12 0.00 0.00 0.00 0.00 23.12 21.32 1x5s s ALA 9 CO 0.85 -0.34 -0.08 0.43 0.00 0.00 0.00 175.76 176.62 1x5s n SER 10 N 3.58 1.87 -3.47 0.00 7.64 -1.26 -4.94 113.62 117.04 1x5s n SER 10 Ca -0.18 0.46 -0.15 0.00 1.01 0.00 0.00 58.87 60.01 1x5s n SER 10 Cb 0.58 -0.88 -0.11 0.00 -1.01 0.00 0.00 64.21 62.78 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 -6.54 0.92 0.00 6.43 2.15 -1.26 -4.85 116.67 113.52 1x5s s ASP 11 Ca -0.27 0.00 0.00 0.00 0.43 0.00 0.00 52.55 52.72 1x5s s ASP 11 Cb 0.06 0.64 0.00 0.00 -0.30 0.00 0.00 42.92 43.32 1x5s s ASP 11 CO 0.44 -0.31 0.00 -1.84 -0.17 0.00 0.00 175.17 173.30 1x5s n GLU 12 N 5.34 0.56 -1.98 4.34 0.28 -1.26 -4.99 120.64 122.93 1x5s n GLU 12 Ca -0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.95 1x5s n GLU 12 Cb 0.50 -0.99 0.00 0.00 1.43 0.00 0.00 31.44 32.37 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 3.40 -0.34 3.80 -1.84 0.00 -1.26 -4.35 105.19 104.60 1x5s n GLY 13 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.92 3.91 0.05 1.61 2.20 -1.26 0.00 119.74 122.33 1x5s s LYS 14 Ca 0.00 0.04 0.08 0.00 -0.36 0.00 0.00 55.97 55.73 1x5s s LYS 14 Cb 0.00 -3.31 -0.03 0.00 -1.51 0.00 0.00 37.83 32.98 1x5s s LYS 14 CO 0.00 0.52 -0.23 -0.51 -0.36 0.00 0.00 175.35 174.77 1x5s s LEU 15 N -0.36 2.37 -0.25 5.43 1.43 -1.24 -2.25 118.68 123.81 1x5s s LEU 15 Ca 0.16 -0.53 -0.17 0.00 -1.03 0.00 0.00 54.13 52.56 1x5s s LEU 15 Cb -0.13 -1.38 -0.03 0.00 0.03 0.00 0.00 46.19 44.68 1x5s s LEU 15 CO 0.05 0.25 0.49 0.12 0.23 0.00 0.00 176.35 177.49 1x5s s PHE 16 N -0.87 3.28 -0.07 0.29 5.36 -0.22 -3.85 117.98 121.90 1x5s s PHE 16 Ca 0.13 0.62 0.03 0.00 -0.96 0.00 0.00 56.93 56.75 1x5s s PHE 16 Cb -0.10 -2.68 0.01 0.00 -0.34 0.00 0.00 43.02 39.90 1x5s s PHE 16 CO 0.04 -0.24 -0.16 0.08 -1.46 0.00 0.00 175.22 173.48 1x5s s VAL 17 N 2.14 1.44 0.01 3.12 1.01 -0.85 -2.75 120.40 124.52 1x5s s VAL 17 Ca 0.20 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.54 1x5s s VAL 17 Cb -0.16 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 1x5s s VAL 17 CO 0.09 0.42 -0.07 -0.83 0.00 0.00 0.00 175.10 174.71 1x5s s GLY 18 N 0.48 0.37 0.00 4.51 0.00 -1.24 -1.68 107.32 109.77 1x5s s GLY 18 Ca -0.14 -0.38 0.00 0.00 0.00 0.00 0.00 44.72 44.19 1x5s s GLY 18 CO 0.05 -0.36 0.00 0.61 0.00 0.00 0.00 173.10 173.40 1x5s n GLY 19 N 2.63 0.48 3.37 0.20 0.00 0.12 -3.43 105.19 108.56 1x5s n GLY 19 Ca -0.15 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.69 -4.74 0.99 4.77 -1.12 -4.76 117.00 110.45 1x5s n LEU 20 Ca 0.00 1.02 -0.41 0.00 -0.03 0.00 0.00 56.01 56.60 1x5s n LEU 20 Cb 0.00 -0.94 -0.04 0.00 -2.33 0.00 0.00 43.42 40.11 1x5s n LEU 20 CO 0.00 -3.35 0.79 -0.94 -1.33 0.00 0.00 177.39 172.57 1x5s s SER 21 N -0.99 7.27 0.36 -1.43 1.04 -1.26 -4.73 113.70 113.95 1x5s s SER 21 Ca 0.62 2.12 0.18 0.00 0.48 0.00 0.00 55.95 59.36 1x5s s SER 21 Cb -0.83 -2.61 1.21 0.00 0.10 0.00 0.00 66.02 63.90 1x5s s SER 21 CO 0.58 -0.21 1.63 -0.26 0.98 0.00 0.00 173.24 175.97 1x5s h PHE 22 N 4.88 0.86 -0.37 5.02 0.04 -1.96 1.32 116.94 126.73 1x5s h PHE 22 Ca -0.45 0.04 -0.08 0.00 2.80 0.00 0.00 57.97 60.28 1x5s h PHE 22 Cb 1.21 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 39.13 1x5s h PHE 22 CO 0.62 -0.29 -0.12 0.22 -0.60 0.00 0.00 178.31 178.14 1x5s h ASP 23 N 0.19 0.64 -2.67 2.17 3.58 -2.01 -3.42 116.42 114.90 1x5s h ASP 23 Ca 0.78 -0.18 -0.57 0.00 0.42 0.00 0.00 57.03 57.49 1x5s h ASP 23 Cb 1.96 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 42.82 1x5s h ASP 23 CO -0.65 0.79 1.18 -0.89 -2.88 0.00 0.00 179.24 176.79 1x5s s THR 24 N -4.77 3.57 0.47 2.25 2.01 0.45 -4.90 115.64 114.72 1x5s s THR 24 Ca -0.08 0.63 0.04 0.00 0.31 0.00 0.00 61.69 62.59 1x5s s THR 24 Cb 0.14 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 1x5s s THR 24 CO 0.80 -0.27 0.10 0.20 -0.69 0.00 0.00 174.62 174.76 1x5s s ASN 25 N 4.78 4.20 0.45 3.53 0.01 -1.26 -4.68 114.94 121.97 1x5s s ASN 25 Ca 0.76 -1.42 0.38 0.00 -0.71 0.00 0.00 52.86 51.87 1x5s s ASN 25 Cb -0.26 0.09 1.48 0.00 0.41 0.00 0.00 41.25 42.96 1x5s s ASN 25 CO 0.31 -0.73 1.43 1.21 -1.51 0.00 0.00 177.10 177.82 1x5s n GLU 26 N -1.26 -0.02 0.09 -0.60 0.00 -1.26 -0.51 120.64 117.09 1x5s n GLU 26 Ca -0.10 1.08 -0.04 0.00 0.00 0.00 0.00 57.16 58.10 1x5s n GLU 26 Cb 0.66 -2.29 -0.02 0.00 0.00 0.00 0.00 31.44 29.79 1x5s n GLU 26 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 1x5s h GLN 27 N 0.00 -0.28 -0.84 5.31 5.75 -1.97 -3.19 115.11 119.89 1x5s h GLN 27 Ca 0.84 0.02 0.15 0.00 -0.15 0.00 0.00 58.65 59.51 1x5s h GLN 27 Cb 3.01 0.06 -0.15 0.00 1.07 0.00 0.00 27.48 31.48 1x5s h GLN 27 CO -0.24 -0.19 -0.29 0.77 -2.65 0.00 0.00 178.83 176.24 1x5s h SER 28 N -0.71 -1.04 -0.42 -0.69 0.02 -1.15 -0.54 113.55 109.02 1x5s h SER 28 Ca -0.03 0.27 0.05 0.00 -0.84 0.00 0.00 61.79 61.23 1x5s h SER 28 Cb 0.22 0.60 -0.08 0.00 0.14 0.00 0.00 62.40 63.28 1x5s h SER 28 CO 0.05 -0.29 -0.55 -0.07 -1.14 0.00 0.00 176.83 174.83 1x5s h LEU 29 N -0.04 -1.83 -0.29 5.07 3.38 -1.41 -0.37 115.31 119.83 1x5s h LEU 29 Ca 0.36 0.24 0.07 0.00 0.09 0.00 0.00 57.88 58.64 1x5s h LEU 29 Cb 0.60 0.75 -0.08 0.00 0.09 0.00 0.00 40.66 42.03 1x5s h LEU 29 CO -0.87 -0.39 -0.24 -0.08 0.09 0.00 0.00 178.44 176.96 1x5s h GLU 30 N -0.38 -0.21 -0.83 1.13 4.81 -1.12 0.48 114.58 118.47 1x5s h GLU 30 Ca 0.07 0.01 0.19 0.00 -0.13 0.00 0.00 59.36 59.51 1x5s h GLU 30 Cb 0.57 0.05 -0.12 0.00 0.63 0.00 0.00 28.75 29.88 1x5s h GLU 30 CO -0.59 -0.14 0.29 1.96 -0.73 0.00 0.00 179.01 179.79 1x5s h GLN 31 N -0.22 0.32 0.08 1.92 1.08 -0.35 0.40 115.11 118.35 1x5s h GLN 31 Ca 0.15 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1x5s h GLN 31 Cb 0.45 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1x5s h GLN 31 CO -0.42 0.21 -0.04 0.28 -0.95 0.00 0.00 178.83 177.92 1x5s h VAL 32 N 0.33 0.00 -0.31 -0.54 2.07 0.28 -3.16 116.25 114.92 1x5s h VAL 32 Ca 0.49 -0.07 0.09 0.00 0.82 0.00 0.00 66.70 68.03 1x5s h VAL 32 Cb 0.90 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1x5s h VAL 32 CO -0.53 0.00 0.69 -0.26 0.02 0.00 0.00 177.57 177.49 1x5s h PHE 33 N -0.18 0.00 -0.74 1.57 -1.00 -0.79 0.46 116.94 116.26 1x5s h PHE 33 Ca -0.01 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.71 1x5s h PHE 33 Cb 0.09 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.61 1x5s h PHE 33 CO 0.10 0.00 0.23 1.03 -1.61 0.00 0.00 178.31 178.07 1x5s h SER 34 N 0.00 1.07 1.24 2.17 0.87 -0.16 -0.29 113.55 118.46 1x5s h SER 34 Ca 0.15 -0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1x5s h SER 34 Cb 1.52 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1x5s h SER 34 CO -0.00 0.99 0.00 0.07 -0.53 0.00 0.00 176.83 177.36 1x5s h LYS 35 N 1.10 0.00 0.18 2.24 2.10 -0.11 -3.14 116.57 118.94 1x5s h LYS 35 Ca 0.24 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.54 1x5s h LYS 35 Cb 0.30 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.64 1x5s h LYS 35 CO -0.01 0.00 -1.77 1.88 -2.00 0.00 0.00 179.45 177.55 1x5s h TYR 36 N 0.00 0.70 -0.76 0.07 0.05 -1.33 -3.50 116.97 112.21 1x5s h TYR 36 Ca 0.00 -0.51 0.00 0.00 0.05 0.00 0.00 58.73 58.27 1x5s h TYR 36 Cb 0.62 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.33 1x5s h TYR 36 CO 0.00 1.69 0.00 0.41 -1.05 0.00 0.00 178.16 179.21 1x5s n GLY 37 N 1.87 1.20 3.83 3.88 0.00 -0.19 -4.76 105.19 111.01 1x5s n GLY 37 Ca -0.25 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 1x5s n GLY 37 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1x5s s GLN 38 N -0.32 3.64 0.06 1.61 -2.07 -1.26 -4.17 119.66 117.15 1x5s s GLN 38 Ca 0.00 1.05 0.01 0.00 -1.82 0.00 0.00 55.36 54.60 1x5s s GLN 38 Cb 0.00 -2.09 -0.03 0.00 -1.09 0.00 0.00 33.01 29.80 1x5s s GLN 38 CO 0.00 -0.53 -0.05 0.42 -1.32 0.00 0.00 175.29 173.81 1x5s s ILE 39 N -2.58 0.42 0.00 3.63 1.01 -1.26 -4.81 121.20 117.60 1x5s s ILE 39 Ca 0.61 -1.48 0.00 0.00 0.00 0.00 0.00 60.65 59.78 1x5s s ILE 39 Cb -0.13 -1.08 0.00 0.00 0.01 0.00 0.00 42.46 41.27 1x5s s ILE 39 CO 0.35 -0.70 0.00 -0.24 0.00 0.00 0.00 174.94 174.35 1x5s n SER 40 N 0.72 2.55 -3.50 3.58 2.88 -0.26 -4.78 113.62 114.80 1x5s n SER 40 Ca -0.18 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.27 1x5s n SER 40 Cb 0.58 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.02 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 -1.92 1.06 0.10 -1.46 2.12 -0.90 -4.99 118.70 112.72 1x5s s GLU 41 Ca 0.00 -0.42 0.06 0.00 0.36 0.00 0.00 54.97 54.98 1x5s s GLU 41 Cb 0.00 0.48 -0.03 0.00 0.26 0.00 0.00 34.13 34.83 1x5s s GLU 41 CO 0.00 -0.47 -0.16 0.08 -0.54 0.00 0.00 175.26 174.17 1x5s s VAL 42 N -3.42 1.36 -0.10 3.70 1.01 -1.26 0.70 120.40 122.39 1x5s s VAL 42 Ca 0.04 -1.53 -0.02 0.00 0.00 0.00 0.00 61.98 60.47 1x5s s VAL 42 Cb -0.01 -1.38 0.04 0.00 0.00 0.00 0.00 36.38 35.03 1x5s s VAL 42 CO -0.09 -0.25 0.04 -0.69 0.00 0.00 0.00 175.10 174.10 1x5s s VAL 43 N -1.57 0.22 -0.26 2.92 1.01 0.39 -4.96 120.40 118.15 1x5s s VAL 43 Ca 0.04 0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.04 1x5s s VAL 43 Cb -0.08 -0.55 0.04 0.00 0.00 0.00 0.00 36.38 35.79 1x5s s VAL 43 CO 0.03 0.07 -0.07 -0.69 0.00 0.00 0.00 175.10 174.44 1x5s s VAL 44 N 2.02 2.66 -0.02 2.92 1.01 -1.26 -0.56 120.40 127.17 1x5s s VAL 44 Ca 0.03 -1.30 -0.30 0.00 0.00 0.00 0.00 61.98 60.42 1x5s s VAL 44 Cb -0.14 -2.45 -0.06 0.00 0.00 0.00 0.00 36.38 33.74 1x5s s VAL 44 CO -0.06 0.06 1.52 -0.69 0.00 0.00 0.00 175.10 175.93 1x5s s VAL 45 N 1.24 3.61 0.17 2.92 1.01 -1.24 -4.98 120.40 123.12 1x5s s VAL 45 Ca -0.04 0.90 0.10 0.00 0.00 0.00 0.00 61.98 62.95 1x5s s VAL 45 Cb -0.18 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1x5s s VAL 45 CO -0.04 -0.04 -0.23 -0.54 0.00 0.00 0.00 175.10 174.26 1x5s s LYS 46 N 3.13 1.40 0.94 2.72 1.02 -1.26 -2.39 119.74 125.30 1x5s s LYS 46 Ca 0.68 -1.44 -0.12 0.00 0.02 0.00 0.00 55.97 55.11 1x5s s LYS 46 Cb -0.32 -1.67 0.19 0.00 -0.52 0.00 0.00 37.83 35.50 1x5s s LYS 46 CO 0.27 0.36 0.42 -3.47 -0.92 0.00 0.00 175.35 172.02 1x5s n ASP 47 N 0.42 -3.00 -0.00 2.83 2.03 -1.26 -4.82 116.55 112.74 1x5s n ASP 47 Ca -0.14 -0.43 0.03 0.00 0.52 0.00 0.00 54.79 54.78 1x5s n ASP 47 Cb 0.56 -0.70 -0.06 0.00 -0.72 0.00 0.00 41.12 40.20 1x5s n ASP 47 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1x5s n ARG 48 N -1.62 0.35 -0.09 -0.67 0.63 -1.26 -3.57 116.66 110.44 1x5s n ARG 48 Ca 0.07 -0.07 -0.16 0.00 -0.92 0.00 0.00 57.85 56.77 1x5s n ARG 48 Cb 0.29 -1.18 -0.11 0.00 0.45 0.00 0.00 32.46 31.92 1x5s n ARG 48 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1x5s h GLU 49 N 0.00 0.00 0.00 -0.14 4.81 -2.06 -3.41 114.58 113.78 1x5s h GLU 49 Ca -0.01 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1x5s h GLU 49 Cb 0.40 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1x5s h GLU 49 CO 0.00 0.86 -1.82 -2.37 -0.73 0.00 0.00 179.01 174.95 1x5s n THR 50 N -4.53 0.23 -3.88 0.32 5.66 -1.26 -5.01 114.28 105.81 1x5s n THR 50 Ca -0.20 -0.44 -0.27 0.00 -3.05 0.00 0.00 64.05 60.09 1x5s n THR 50 Cb 0.54 -0.04 0.02 0.00 -1.55 0.00 0.00 70.33 69.29 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 -2.18 -4.76 0.00 1.09 3.00 -1.23 -4.93 117.38 108.37 1x5s n GLN 51 Ca -0.08 0.55 0.00 0.00 -0.01 0.00 0.00 57.00 57.46 1x5s n GLN 51 Cb 0.56 -5.20 0.00 0.00 0.00 0.00 0.00 30.24 25.60 1x5s n GLN 51 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 1x5s n ARG 52 N -4.48 0.00 -3.65 -1.09 0.63 -1.26 -4.76 116.66 102.05 1x5s n ARG 52 Ca -0.12 0.12 -0.04 0.00 -0.92 0.00 0.00 57.85 56.89 1x5s n ARG 52 Cb 0.60 -0.48 -0.07 0.00 0.45 0.00 0.00 32.46 32.96 1x5s n ARG 52 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1x5s s SER 53 N -2.24 -0.20 -0.04 6.15 0.01 -1.26 -4.83 113.70 111.29 1x5s s SER 53 Ca 0.00 0.37 -0.02 0.00 1.31 0.00 0.00 55.95 57.61 1x5s s SER 53 Cb 0.00 0.56 -0.01 0.00 0.21 0.00 0.00 66.02 66.79 1x5s s SER 53 CO 0.00 -0.06 -0.04 0.03 0.41 0.00 0.00 173.24 173.57 1x5s h ARG 54 N 4.03 0.00 0.00 12.44 2.47 -1.82 -3.44 114.38 128.06 1x5s h ARG 54 Ca -0.27 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.45 1x5s h ARG 54 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 1x5s h ARG 54 CO 0.17 0.00 0.00 0.41 0.56 0.00 0.00 179.97 181.11 1x5s n GLY 55 N 1.73 0.00 3.84 0.04 0.00 -1.26 -5.01 105.19 104.52 1x5s n GLY 55 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 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 0.09 -0.87 1.61 -0.71 -1.26 0.15 117.98 116.98 1x5s s PHE 56 Ca 0.00 -0.65 0.00 0.00 -1.04 0.00 0.00 56.93 55.24 1x5s s PHE 56 Cb 0.00 0.78 0.00 0.00 -1.21 0.00 0.00 43.02 42.59 1x5s s PHE 56 CO 0.00 -1.31 0.00 0.41 -1.34 0.00 0.00 175.22 172.98 1x5s n GLY 57 N -0.59 -1.24 3.64 1.99 0.00 -0.67 -3.65 105.19 104.66 1x5s n GLY 57 Ca -0.06 -0.87 -0.05 0.00 0.00 0.00 0.00 46.02 45.04 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 -3.00 -1.00 -0.26 1.61 0.40 0.28 -2.01 117.98 114.00 1x5s s PHE 58 Ca 0.00 1.96 -0.09 0.00 -0.60 0.00 0.00 56.93 58.19 1x5s s PHE 58 Cb 0.00 0.60 -0.04 0.00 0.51 0.00 0.00 43.02 44.09 1x5s s PHE 58 CO 0.00 -0.50 0.13 0.08 0.70 0.00 0.00 175.22 175.63 1x5s s VAL 59 N 1.76 4.85 -0.12 -0.44 1.01 -1.25 -0.46 120.40 125.75 1x5s s VAL 59 Ca -0.09 0.01 -0.29 0.00 0.00 0.00 0.00 61.98 61.61 1x5s s VAL 59 Cb -0.06 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 1x5s s VAL 59 CO -0.19 0.31 0.97 -0.89 0.00 0.00 0.00 175.10 175.30 1x5s s THR 60 N 1.58 4.80 -0.12 3.92 2.01 0.22 -3.61 115.64 124.44 1x5s s THR 60 Ca 0.06 1.97 -0.05 0.00 0.31 0.00 0.00 61.69 63.98 1x5s s THR 60 Cb -0.15 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.04 1x5s s THR 60 CO 0.07 0.01 0.08 -0.36 -0.69 0.00 0.00 174.62 173.72 1x5s s PHE 61 N 2.03 3.38 0.10 4.92 0.40 0.10 -1.11 117.98 127.80 1x5s s PHE 61 Ca 0.46 0.33 -0.19 0.00 -0.60 0.00 0.00 56.93 56.93 1x5s s PHE 61 Cb -0.18 -1.91 -0.04 0.00 0.51 0.00 0.00 43.02 41.40 1x5s s PHE 61 CO 0.17 0.54 1.04 0.39 0.70 0.00 0.00 175.22 178.05 1x5s n GLU 62 N 2.32 -0.27 -5.21 0.44 -0.58 -1.26 -4.21 120.64 111.87 1x5s n GLU 62 Ca -0.19 1.02 -0.32 0.00 -0.42 0.00 0.00 57.16 57.25 1x5s n GLU 62 Cb 0.54 -1.50 -0.16 0.00 -0.57 0.00 0.00 31.44 29.74 1x5s n GLU 62 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1x5s s ASN 63 N -5.07 3.16 0.26 1.62 2.47 -1.26 -4.90 114.94 111.22 1x5s s ASN 63 Ca -0.07 -0.50 0.03 0.00 0.42 0.00 0.00 52.86 52.73 1x5s s ASN 63 Cb 0.07 -1.05 0.67 0.00 -1.45 0.00 0.00 41.25 39.49 1x5s s ASN 63 CO 0.38 0.22 1.28 -0.38 -3.72 0.00 0.00 177.10 174.89 1x5s n ILE 64 N 3.12 -0.34 0.03 -5.21 5.41 -1.26 0.95 119.36 122.06 1x5s n ILE 64 Ca -0.18 1.79 -0.10 0.00 1.00 0.00 0.00 62.75 65.25 1x5s n ILE 64 Cb 0.52 -2.63 -0.04 0.00 -0.71 0.00 0.00 39.64 36.78 1x5s n ILE 64 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1x5s h ASP 65 N 0.00 -0.55 -1.23 4.38 1.82 -1.95 -1.12 116.42 117.77 1x5s h ASP 65 Ca 0.52 0.09 0.37 0.00 -0.39 0.00 0.00 57.03 57.61 1x5s h ASP 65 Cb 1.10 0.24 -0.10 0.00 0.68 0.00 0.00 39.33 41.25 1x5s h ASP 65 CO -0.76 -0.24 0.81 0.44 -1.61 0.00 0.00 179.24 177.89 1x5s h ASP 66 N -0.27 0.27 0.48 2.28 3.32 0.21 -1.07 116.42 121.65 1x5s h ASP 66 Ca 0.07 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 1x5s h ASP 66 Cb 0.37 0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.99 1x5s h ASP 66 CO -0.21 -0.05 -0.23 0.00 -1.72 0.00 0.00 179.24 177.03 1x5s h ALA 67 N 1.55 -0.70 -1.22 3.45 0.00 -1.05 -3.20 119.26 118.09 1x5s h ALA 67 Ca 0.71 -0.14 0.44 0.00 0.00 0.00 0.00 54.91 55.92 1x5s h ALA 67 Cb 2.20 0.25 -0.15 0.00 0.00 0.00 0.00 17.79 20.09 1x5s h ALA 67 CO -0.30 -0.65 0.74 1.57 0.00 0.00 0.00 179.25 180.61 1x5s h LYS 68 N -1.08 0.04 -0.80 0.00 2.10 -0.85 1.10 116.57 117.09 1x5s h LYS 68 Ca -0.07 -0.00 0.11 0.00 -2.00 0.00 0.00 60.65 58.69 1x5s h LYS 68 Cb 0.50 -0.01 -0.08 0.00 -0.90 0.00 0.00 32.23 31.74 1x5s h LYS 68 CO 0.11 0.03 0.43 -0.44 -2.00 0.00 0.00 179.45 177.57 1x5s h ASP 69 N 0.04 0.57 0.64 7.07 3.32 -1.42 -2.13 116.42 124.51 1x5s h ASP 69 Ca 0.85 0.06 -0.15 0.00 0.02 0.00 0.00 57.03 57.81 1x5s h ASP 69 Cb 2.51 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 42.00 1x5s h ASP 69 CO -0.57 0.30 -1.47 0.00 -1.72 0.00 0.00 179.24 175.78 1x5s n ALA 70 N -2.40 2.03 -0.09 3.45 0.00 0.34 -3.95 120.51 119.90 1x5s n ALA 70 Ca 0.14 -0.56 -0.07 0.00 0.00 0.00 0.00 53.44 52.96 1x5s n ALA 70 Cb 0.32 -0.91 -0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 -0.15 -0.09 0.00 1.85 0.30 0.23 114.93 117.07 1x5s h MET 71 Ca -0.16 0.01 -0.10 0.00 -0.61 0.00 0.00 59.70 58.84 1x5s h MET 71 Cb 1.52 0.03 -0.01 0.00 0.43 0.00 0.00 31.60 33.57 1x5s h MET 71 CO 0.04 -0.10 -0.40 0.00 -0.40 0.00 0.00 176.91 176.04 1x5s h MET 72 N -0.16 0.19 0.55 0.39 -0.00 -1.68 0.48 114.93 114.71 1x5s h MET 72 Ca 0.17 -0.09 -0.03 0.00 -0.00 0.00 0.00 59.70 59.75 1x5s h MET 72 Cb 0.42 -0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.02 1x5s h MET 72 CO -0.42 0.57 -0.26 0.00 -0.00 0.00 0.00 176.91 176.79 1x5s h ALA 73 N 1.42 -0.74 -0.04 -3.00 0.00 -1.24 -3.26 119.26 112.40 1x5s h ALA 73 Ca 0.02 -0.20 -0.21 0.00 0.00 0.00 0.00 54.91 54.52 1x5s h ALA 73 Cb 0.79 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1x5s h ALA 73 CO 0.06 -0.80 -0.87 0.52 0.00 0.00 0.00 179.25 178.16 1x5s h MET 74 N -0.96 0.45 -4.58 0.00 2.86 -0.65 -3.42 114.93 108.62 1x5s h MET 74 Ca -0.08 -0.44 -0.37 0.00 -2.06 0.00 0.00 59.70 56.76 1x5s h MET 74 Cb 0.63 0.11 -0.10 0.00 0.06 0.00 0.00 31.60 32.30 1x5s h MET 74 CO 0.12 1.08 1.79 -1.71 1.06 0.00 0.00 176.91 179.26 1x5s n ASN 75 N -3.79 -0.87 -0.09 1.22 2.85 0.17 0.24 115.26 114.99 1x5s n ASN 75 Ca -0.06 -0.30 0.00 0.00 -0.11 0.00 0.00 54.58 54.11 1x5s n ASN 75 Cb 0.79 -0.59 0.00 0.00 1.24 0.00 0.00 39.78 41.22 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 5.32 1.16 3.83 8.20 0.00 -1.26 -4.80 105.19 117.64 1x5s n GLY 76 Ca 0.62 -0.36 -0.22 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.31 2.52 -0.14 1.61 -0.14 0.65 -5.02 119.74 116.91 1x5s s LYS 77 Ca 0.00 -1.51 -0.02 0.00 -1.36 0.00 0.00 55.97 53.08 1x5s s LYS 77 Cb 0.00 -2.33 -0.02 0.00 -1.68 0.00 0.00 37.83 33.80 1x5s s LYS 77 CO 0.00 -0.07 -0.08 0.45 -0.76 0.00 0.00 175.35 174.89 1x5s s SER 78 N -4.03 4.42 -0.24 2.83 0.15 -1.26 -3.63 113.70 111.95 1x5s s SER 78 Ca 0.44 -0.22 -0.08 0.00 0.70 0.00 0.00 55.95 56.79 1x5s s SER 78 Cb -0.03 -1.68 -0.04 0.00 -1.71 0.00 0.00 66.02 62.56 1x5s s SER 78 CO 0.26 0.17 0.09 0.54 1.20 0.00 0.00 173.24 175.50 1x5s s VAL 79 N 0.32 4.62 -1.43 4.45 0.11 -1.26 -4.55 120.40 122.66 1x5s s VAL 79 Ca -0.07 -0.07 -0.18 0.00 -2.93 0.00 0.00 61.98 58.72 1x5s s VAL 79 Cb -0.15 -3.15 0.18 0.00 -1.53 0.00 0.00 36.38 31.74 1x5s s VAL 79 CO 0.04 0.35 0.45 -0.90 -3.33 0.00 0.00 175.10 171.72 1x5s n ASP 80 N 4.58 -1.56 -0.99 3.54 5.68 -1.26 -1.58 116.55 124.96 1x5s n ASP 80 Ca -0.16 -0.85 0.00 0.00 -0.50 0.00 0.00 54.79 53.28 1x5s n ASP 80 Cb 0.52 -1.39 0.00 0.00 -1.14 0.00 0.00 41.12 39.11 1x5s n ASP 80 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1x5s n GLY 81 N -0.92 0.89 2.48 6.12 0.00 -1.26 -5.11 105.19 107.38 1x5s n GLY 81 Ca 0.09 -0.45 -0.16 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.99 0.37 -2.16 1.61 5.12 -0.61 -5.08 116.66 114.91 1x5s n ARG 82 Ca 0.00 -2.57 -0.04 0.00 -1.93 0.00 0.00 57.85 53.31 1x5s n ARG 82 Cb 0.34 1.99 0.05 0.00 -1.16 0.00 0.00 32.46 33.68 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 -0.52 1.75 -1.46 5.56 10.64 -1.26 -4.08 117.38 128.01 1x5s n GLN 83 Ca 0.04 -3.31 -0.29 0.00 -1.83 0.00 0.00 57.00 51.62 1x5s n GLN 83 Cb 0.46 -1.41 0.13 0.00 -0.86 0.00 0.00 30.24 28.57 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 -3.10 2.30 0.20 -0.39 -4.36 -1.24 -4.97 121.20 109.64 1x5s s ILE 84 Ca 0.35 0.10 0.04 0.00 -0.26 0.00 0.00 60.65 60.88 1x5s s ILE 84 Cb 0.36 -2.78 -0.05 0.00 1.25 0.00 0.00 42.46 41.23 1x5s s ILE 84 CO -0.05 -0.13 -0.04 -0.13 0.24 0.00 0.00 174.94 174.82 1x5s s ARG 85 N -5.17 1.26 -0.04 0.37 0.52 -1.22 -3.57 118.95 111.10 1x5s s ARG 85 Ca 0.63 -1.60 -0.01 0.00 -0.52 0.00 0.00 55.73 54.23 1x5s s ARG 85 Cb -0.16 -0.66 0.03 0.00 0.52 0.00 0.00 34.95 34.68 1x5s s ARG 85 CO 0.54 -0.02 0.04 0.08 0.02 0.00 0.00 175.30 175.96 1x5s s VAL 86 N -3.35 -0.01 0.13 3.52 1.01 -1.26 -3.60 120.40 116.84 1x5s s VAL 86 Ca 0.24 0.29 -0.06 0.00 0.00 0.00 0.00 61.98 62.45 1x5s s VAL 86 Cb 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 36.38 36.22 1x5s s VAL 86 CO 0.06 0.16 0.19 -1.81 0.00 0.00 0.00 175.10 173.69 1x5s s ASP 87 N 1.68 0.15 -0.05 3.32 1.01 -1.11 -3.78 116.67 117.89 1x5s s ASP 87 Ca -0.01 -0.93 -0.35 0.00 0.71 0.00 0.00 52.55 51.97 1x5s s ASP 87 Cb -0.13 0.37 -0.13 0.00 1.01 0.00 0.00 42.92 44.04 1x5s s ASP 87 CO -0.03 -0.80 1.75 0.00 0.21 0.00 0.00 175.17 176.30 1x5s n GLN 88 N -0.13 1.94 -3.35 8.23 10.64 -1.26 -1.05 117.38 132.40 1x5s n GLN 88 Ca -0.09 0.71 -0.46 0.00 -1.83 0.00 0.00 57.00 55.33 1x5s n GLN 88 Cb 0.63 -2.50 -0.02 0.00 -0.86 0.00 0.00 30.24 27.50 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 2.97 4.25 -0.70 2.61 0.00 -0.95 -4.69 121.76 125.26 1x5s s ALA 89 Ca 0.90 -3.47 0.01 0.00 0.00 0.00 0.00 51.96 49.39 1x5s s ALA 89 Cb -0.77 -3.50 0.37 0.00 0.00 0.00 0.00 23.12 19.23 1x5s s ALA 89 CO 0.50 -2.25 1.64 0.41 0.00 0.00 0.00 175.76 176.06 1x5s n GLY 90 N 3.59 5.74 0.17 0.00 0.00 -1.26 -4.64 105.19 108.79 1x5s n GLY 90 Ca 0.17 -2.60 -0.27 0.00 0.00 0.00 0.00 46.02 43.31 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 -0.48 0.56 -1.62 1.61 3.00 -1.26 -4.97 118.16 115.00 1x5s n LYS 91 Ca 0.47 0.25 -0.48 0.00 -0.00 0.00 0.00 58.31 58.54 1x5s n LYS 91 Cb 0.40 -1.45 -0.04 0.00 0.00 0.00 0.00 35.03 33.93 1x5s n LYS 91 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1x5s n SER 92 N -4.23 2.02 -3.92 3.14 2.88 -1.26 -4.97 113.62 107.28 1x5s n SER 92 Ca -0.49 1.12 -0.29 0.00 -1.33 0.00 0.00 58.87 57.89 1x5s n SER 92 Cb 0.84 -1.29 -0.16 0.00 -0.75 0.00 0.00 64.21 62.85 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 0.36 3.04 -0.00 -3.46 1.04 -1.26 -5.10 113.70 108.32 1x5s s SER 93 Ca 0.77 -0.76 0.07 0.00 0.48 0.00 0.00 55.95 56.51 1x5s s SER 93 Cb -0.81 -1.00 -0.02 0.00 0.10 0.00 0.00 66.02 64.28 1x5s s SER 93 CO 0.48 -0.18 -0.23 1.51 0.98 0.00 0.00 173.24 175.79 1x5s s ASP 94 N 1.56 2.76 -0.07 7.02 -4.77 -1.26 -5.13 116.67 116.78 1x5s s ASP 94 Ca -0.00 -0.46 -0.31 0.00 -3.30 0.00 0.00 52.55 48.48 1x5s s ASP 94 Cb -0.16 -0.29 0.12 0.00 -1.09 0.00 0.00 42.92 41.50 1x5s s ASP 94 CO -0.08 0.27 0.99 0.54 0.70 0.00 0.00 175.17 177.59 1x5s s ASN 95 N -0.73 -0.30 0.21 2.11 4.22 -1.26 -5.06 114.94 114.13 1x5s s ASN 95 Ca 0.09 0.05 -0.00 0.00 -2.14 0.00 0.00 52.86 50.86 1x5s s ASN 95 Cb -0.09 0.31 -0.04 0.00 1.28 0.00 0.00 41.25 42.70 1x5s s ASN 95 CO -0.00 -0.48 0.12 0.00 -2.04 0.00 0.00 177.10 174.70 1x5s s ARG 96 N -2.67 1.25 0.35 3.55 3.03 -1.26 -5.18 118.95 118.02 1x5s s ARG 96 Ca 0.05 -1.66 -0.09 0.00 2.03 0.00 0.00 55.73 56.06 1x5s s ARG 96 Cb -0.01 0.11 0.02 0.00 -1.03 0.00 0.00 34.95 34.04 1x5s s ARG 96 CO -0.07 -0.36 0.61 -1.12 -1.13 0.00 0.00 175.30 173.24 1x5s s SER 97 N -3.20 0.42 -0.28 -2.89 0.01 -1.26 -5.19 113.70 101.31 1x5s s SER 97 Ca 0.38 -1.27 -0.28 0.00 1.31 0.00 0.00 55.95 56.10 1x5s s SER 97 Cb 0.07 0.73 0.19 0.00 0.21 0.00 0.00 66.02 67.22 1x5s s SER 97 CO 0.12 -1.44 1.36 -0.83 0.41 0.00 0.00 173.24 172.86 1x5s s GLY 98 N -3.14 0.15 0.44 3.44 0.00 -1.26 -5.18 107.32 101.78 1x5s s GLY 98 Ca 0.23 3.02 -0.07 0.00 0.00 0.00 0.00 44.72 47.89 1x5s s GLY 98 CO 0.15 1.40 0.39 -1.55 0.00 0.00 0.00 173.10 173.49 1x5s n PRO 99 N 0.92 -1.80 -4.39 2.90 -0.04 -1.26 -5.09 135.00 126.24 1x5s n PRO 99 Ca -0.04 -0.63 -0.20 0.00 -0.04 0.00 0.00 63.50 62.59 1x5s n PRO 99 Cb 0.58 -0.59 -0.10 0.00 -0.04 0.00 0.00 33.50 33.35 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 -2.57 2.48 -0.17 3.54 0.15 -1.26 -5.15 113.70 110.72 1x5s s SER 100 Ca 0.26 -1.17 -0.07 0.00 0.70 0.00 0.00 55.95 55.67 1x5s s SER 100 Cb -0.03 -0.12 0.07 0.00 -1.71 0.00 0.00 66.02 64.24 1x5s s SER 100 CO 0.20 -0.36 0.37 -0.55 1.20 0.00 0.00 173.24 174.09 1x5s s SER 101 N -3.38 -0.18 0.00 5.45 0.15 -1.26 -5.39 113.70 109.09 1x5s s SER 101 Ca 0.28 0.85 0.00 0.00 0.70 0.00 0.00 55.95 57.78 1x5s s SER 101 Cb 0.04 1.01 0.00 0.00 -1.71 0.00 0.00 66.02 65.35 1x5s s SER 101 CO 0.10 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.93