#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 -0.76 0.08 1.61 0.15 -1.26 -5.18 113.70 108.34 1x5s s SER 2 Ca 0.00 1.41 -0.17 0.00 0.70 0.00 0.00 55.95 57.89 1x5s s SER 2 Cb 0.00 1.41 0.03 0.00 -1.71 0.00 0.00 66.02 65.76 1x5s s SER 2 CO 0.00 -0.24 0.40 -0.55 1.20 0.00 0.00 173.24 174.05 1x5s s SER 3 N 0.57 -0.25 0.00 5.45 0.15 -1.26 -5.05 113.70 113.32 1x5s s SER 3 Ca -0.01 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.49 1x5s s SER 3 Cb -0.05 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 1x5s s SER 3 CO -0.03 -0.74 0.00 0.61 1.20 0.00 0.00 173.24 174.28 1x5s n GLY 4 N 0.21 1.69 4.33 9.45 0.00 -1.26 -4.95 105.19 114.66 1x5s n GLY 4 Ca -0.17 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.70 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 0.48 -1.75 -4.70 1.61 7.64 -1.26 -4.84 113.62 110.80 1x5s n SER 5 Ca 0.00 -1.14 -0.39 0.00 1.01 0.00 0.00 58.87 58.35 1x5s n SER 5 Cb 0.00 -2.17 0.04 0.00 -1.01 0.00 0.00 64.21 61.07 1x5s n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1x5s n SER 6 N -2.66 2.17 0.00 6.43 3.41 -1.26 -5.01 113.62 116.70 1x5s n SER 6 Ca -0.01 0.96 0.00 0.00 -0.26 0.00 0.00 58.87 59.56 1x5s n SER 6 Cb 0.53 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 62.97 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 0.91 1.27 3.89 5.00 0.00 -1.26 -5.13 105.19 109.86 1x5s n GLY 7 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 1x5s n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x5s s MET 8 N 3.07 2.97 -0.21 1.61 1.00 -1.26 -5.07 119.30 121.42 1x5s s MET 8 Ca 0.00 -1.09 -0.16 0.00 0.00 0.00 0.00 55.69 54.44 1x5s s MET 8 Cb 0.00 -2.63 -0.12 0.00 0.00 0.00 0.00 34.83 32.08 1x5s s MET 8 CO 0.00 0.23 -0.08 0.00 0.00 0.00 0.00 175.02 175.17 1x5s n ALA 9 N -1.37 0.81 -1.37 3.03 0.00 -1.26 -4.89 120.51 115.47 1x5s n ALA 9 Ca -0.04 -0.65 -0.54 0.00 0.00 0.00 0.00 53.44 52.20 1x5s n ALA 9 Cb 0.58 -0.19 -0.09 0.00 0.00 0.00 0.00 19.45 19.75 1x5s n ALA 9 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x5s n SER 10 N -4.44 1.45 -4.06 0.00 2.88 -1.26 -4.91 113.62 103.29 1x5s n SER 10 Ca -0.29 0.49 -0.30 0.00 -1.33 0.00 0.00 58.87 57.43 1x5s n SER 10 Cb 0.61 -1.10 -0.16 0.00 -0.75 0.00 0.00 64.21 62.81 1x5s n SER 10 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1x5s s ASP 11 N 6.97 2.74 -0.15 -3.46 -1.08 -1.26 -5.01 116.67 115.41 1x5s s ASP 11 Ca 1.15 -0.51 -0.13 0.00 -0.52 0.00 0.00 52.55 52.54 1x5s s ASP 11 Cb -1.13 -1.23 -0.23 0.00 -1.46 0.00 0.00 42.92 38.86 1x5s s ASP 11 CO 0.56 -0.02 0.32 -0.33 0.52 0.00 0.00 175.17 176.22 1x5s h GLU 12 N 7.83 0.16 0.00 4.34 3.07 -1.91 -3.49 114.58 124.58 1x5s h GLU 12 Ca -0.37 -0.28 0.00 0.00 -0.50 0.00 0.00 59.36 58.21 1x5s h GLU 12 Cb 1.15 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 1x5s h GLU 12 CO 0.54 1.13 0.00 0.41 -1.40 0.00 0.00 179.01 179.69 1x5s n GLY 13 N 1.75 1.32 3.82 -3.84 0.00 -1.26 -4.73 105.19 102.25 1x5s n GLY 13 Ca -0.32 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 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 4.22 0.15 1.61 2.20 -1.26 -3.39 119.74 123.27 1x5s s LYS 14 Ca 0.00 0.95 0.10 0.00 -0.36 0.00 0.00 55.97 56.66 1x5s s LYS 14 Cb 0.00 -2.52 -0.04 0.00 -1.51 0.00 0.00 37.83 33.76 1x5s s LYS 14 CO 0.00 0.18 -0.18 -0.51 -0.36 0.00 0.00 175.35 174.48 1x5s s LEU 15 N -2.66 2.67 -0.36 5.43 1.43 -1.22 -3.39 118.68 120.59 1x5s s LEU 15 Ca 0.53 -0.65 -0.10 0.00 -1.03 0.00 0.00 54.13 52.87 1x5s s LEU 15 Cb -0.13 -1.46 0.02 0.00 0.03 0.00 0.00 46.19 44.66 1x5s s LEU 15 CO 0.18 0.15 0.19 0.12 0.23 0.00 0.00 176.35 177.21 1x5s s PHE 16 N -1.41 3.23 -0.10 0.29 5.36 -0.79 -3.72 117.98 120.83 1x5s s PHE 16 Ca 0.20 -0.88 -0.00 0.00 -0.96 0.00 0.00 56.93 55.29 1x5s s PHE 16 Cb -0.09 -2.41 -0.02 0.00 -0.34 0.00 0.00 43.02 40.15 1x5s s PHE 16 CO 0.11 -0.60 -0.09 0.08 -1.46 0.00 0.00 175.22 173.26 1x5s s VAL 17 N 1.56 3.45 0.23 3.12 1.01 -0.11 -3.00 120.40 126.67 1x5s s VAL 17 Ca 0.03 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.50 1x5s s VAL 17 Cb -0.19 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 1x5s s VAL 17 CO 0.06 0.55 -0.00 -0.83 0.00 0.00 0.00 175.10 174.88 1x5s s GLY 18 N -0.17 1.57 -0.99 4.51 0.00 -1.20 -0.13 107.32 110.92 1x5s s GLY 18 Ca 0.01 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 42.96 1x5s s GLY 18 CO 0.03 -1.67 0.00 0.61 0.00 0.00 0.00 173.10 172.07 1x5s n GLY 19 N -0.43 0.51 3.75 0.20 0.00 0.20 -3.40 105.19 106.02 1x5s n GLY 19 Ca -0.05 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.71 4.39 0.28 0.99 1.43 -0.84 -4.44 118.68 117.78 1x5s s LEU 20 Ca 0.00 2.65 -0.30 0.00 -1.03 0.00 0.00 54.13 55.45 1x5s s LEU 20 Cb 0.00 -3.62 -0.10 0.00 0.03 0.00 0.00 46.19 42.49 1x5s s LEU 20 CO 0.00 -0.67 1.47 -0.55 0.23 0.00 0.00 176.35 176.83 1x5s s SER 21 N 0.28 6.57 0.28 2.29 0.15 -1.26 -4.74 113.70 117.26 1x5s s SER 21 Ca 0.58 2.77 -0.02 0.00 0.70 0.00 0.00 55.95 59.99 1x5s s SER 21 Cb -0.41 -2.63 0.62 0.00 -1.71 0.00 0.00 66.02 61.88 1x5s s SER 21 CO 0.44 -0.76 1.62 2.19 1.20 0.00 0.00 173.24 177.93 1x5s h PHE 22 N 4.69 0.08 -0.30 3.44 -0.00 -1.97 1.02 116.94 123.89 1x5s h PHE 22 Ca -0.47 0.06 0.01 0.00 -0.00 0.00 0.00 57.97 57.57 1x5s h PHE 22 Cb 1.22 0.11 -0.02 0.00 -0.00 0.00 0.00 35.95 37.26 1x5s h PHE 22 CO 0.59 -0.29 0.20 0.22 -0.00 0.00 0.00 178.31 179.03 1x5s h ASP 23 N 0.11 0.32 -2.55 -0.68 3.58 -2.03 -3.42 116.42 111.74 1x5s h ASP 23 Ca 0.51 -0.01 -0.53 0.00 0.42 0.00 0.00 57.03 57.42 1x5s h ASP 23 Cb 1.00 -0.08 0.02 0.00 1.72 0.00 0.00 39.33 41.99 1x5s h ASP 23 CO -0.74 0.23 1.11 -0.89 -2.88 0.00 0.00 179.24 176.06 1x5s s THR 24 N -5.36 3.09 0.41 2.25 2.01 0.35 -4.94 115.64 113.45 1x5s s THR 24 Ca -0.07 0.34 0.05 0.00 0.31 0.00 0.00 61.69 62.32 1x5s s THR 24 Cb 0.17 -3.22 -0.06 0.00 0.01 0.00 0.00 72.50 69.40 1x5s s THR 24 CO 0.71 -0.02 0.03 0.20 -0.69 0.00 0.00 174.62 174.85 1x5s s ASN 25 N 3.26 3.51 0.39 3.53 -0.87 -1.26 -4.80 114.94 118.70 1x5s s ASN 25 Ca 0.79 -1.43 0.24 0.00 -1.57 0.00 0.00 52.86 50.89 1x5s s ASN 25 Cb -0.40 -0.14 1.37 0.00 -0.02 0.00 0.00 41.25 42.06 1x5s s ASN 25 CO 0.35 -0.57 1.59 -0.33 -2.57 0.00 0.00 177.10 175.56 1x5s h GLU 26 N 1.79 0.03 0.33 -0.60 3.07 -1.97 0.32 114.58 117.54 1x5s h GLU 26 Ca -0.43 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.41 1x5s h GLU 26 Cb 1.25 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 1x5s h GLU 26 CO 0.76 0.02 -0.16 0.37 -1.40 0.00 0.00 179.01 178.60 1x5s h GLN 27 N 0.03 -0.43 -1.32 2.33 -0.00 -1.98 -2.63 115.11 111.11 1x5s h GLN 27 Ca 0.85 0.03 0.44 0.00 -0.00 0.00 0.00 58.65 59.97 1x5s h GLN 27 Cb 2.37 0.10 -0.13 0.00 0.00 0.00 0.00 27.48 29.81 1x5s h GLN 27 CO -0.67 -0.27 0.84 1.03 0.00 0.00 0.00 178.83 179.77 1x5s h SER 28 N -1.11 0.24 0.13 -0.69 0.87 -1.35 1.42 113.55 113.05 1x5s h SER 28 Ca -0.05 0.15 -0.24 0.00 -1.23 0.00 0.00 61.79 60.42 1x5s h SER 28 Cb 0.36 0.14 0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1x5s h SER 28 CO 0.07 -0.22 -0.95 -0.07 -0.53 0.00 0.00 176.83 175.14 1x5s h LEU 29 N 0.06 0.74 -0.12 2.23 3.38 -1.25 -2.58 115.31 117.77 1x5s h LEU 29 Ca 0.84 -0.57 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 1x5s h LEU 29 Cb 2.62 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 43.14 1x5s h LEU 29 CO -0.45 1.37 -0.05 -0.08 0.09 0.00 0.00 178.44 179.31 1x5s h GLU 30 N 0.34 0.24 -0.58 1.13 4.22 0.22 1.00 114.58 121.15 1x5s h GLU 30 Ca -0.09 -0.10 -0.02 0.00 0.08 0.00 0.00 59.36 59.22 1x5s h GLU 30 Cb 1.58 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.80 1x5s h GLU 30 CO 0.18 0.58 0.29 -0.56 -2.18 0.00 0.00 179.01 177.32 1x5s h GLN 31 N -0.11 0.81 0.13 1.92 3.07 -0.74 -1.50 115.11 118.70 1x5s h GLN 31 Ca 0.03 -0.10 -0.01 0.00 0.09 0.00 0.00 58.65 58.66 1x5s h GLN 31 Cb 0.51 -0.16 0.00 0.00 0.08 0.00 0.00 27.48 27.91 1x5s h GLN 31 CO 0.02 0.62 -0.06 0.28 0.09 0.00 0.00 178.83 179.78 1x5s h VAL 32 N 0.82 0.00 -0.34 1.86 2.07 -1.39 -3.27 116.25 116.00 1x5s h VAL 32 Ca 0.20 -0.44 0.10 0.00 0.82 0.00 0.00 66.70 67.39 1x5s h VAL 32 Cb 0.07 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 1x5s h VAL 32 CO -0.03 0.00 0.66 -0.26 0.02 0.00 0.00 177.57 177.97 1x5s h PHE 33 N -0.61 0.00 -0.47 1.57 -1.00 -0.84 0.53 116.94 116.12 1x5s h PHE 33 Ca -0.02 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.70 1x5s h PHE 33 Cb 0.13 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.67 1x5s h PHE 33 CO 0.02 0.00 0.04 1.03 -1.61 0.00 0.00 178.31 177.79 1x5s h SER 34 N 0.00 0.71 0.37 2.17 0.87 -1.32 -1.43 113.55 114.92 1x5s h SER 34 Ca 0.16 -0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.55 1x5s h SER 34 Cb 1.49 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 63.26 1x5s h SER 34 CO -0.00 0.75 -0.12 0.07 -0.53 0.00 0.00 176.83 177.00 1x5s h LYS 35 N 0.71 0.00 0.17 2.24 2.10 -0.03 -2.81 116.57 118.94 1x5s h LYS 35 Ca 0.15 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.45 1x5s h LYS 35 Cb 0.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 1x5s h LYS 35 CO 0.01 0.12 -1.79 1.88 -2.00 0.00 0.00 179.45 177.67 1x5s h TYR 36 N 0.00 0.64 0.00 0.07 -1.99 -1.44 -3.50 116.97 110.75 1x5s h TYR 36 Ca -0.00 -0.47 0.00 0.00 2.00 0.00 0.00 58.73 60.26 1x5s h TYR 36 Cb 0.33 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.04 1x5s h TYR 36 CO 0.00 1.67 0.00 0.41 -0.00 0.00 0.00 178.16 180.24 1x5s n GLY 37 N 1.87 2.49 3.81 3.88 0.00 -0.61 -4.72 105.19 111.91 1x5s n GLY 37 Ca -0.25 -0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 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 4.00 2.98 0.10 1.61 0.74 -1.26 -4.27 119.66 123.56 1x5s s GLN 38 Ca 0.00 -0.78 0.04 0.00 0.05 0.00 0.00 55.36 54.67 1x5s s GLN 38 Cb 0.00 -2.72 -0.04 0.00 1.10 0.00 0.00 33.01 31.36 1x5s s GLN 38 CO 0.00 0.51 -0.10 0.42 -0.55 0.00 0.00 175.29 175.57 1x5s s ILE 39 N -1.66 0.95 0.00 -2.34 1.01 -1.26 -4.65 121.20 113.26 1x5s s ILE 39 Ca 0.31 -1.72 0.00 0.00 0.00 0.00 0.00 60.65 59.24 1x5s s ILE 39 Cb -0.11 -1.45 0.00 0.00 0.01 0.00 0.00 42.46 40.91 1x5s s ILE 39 CO 0.24 -0.61 0.00 -0.24 0.00 0.00 0.00 174.94 174.33 1x5s n SER 40 N 0.41 1.86 -3.61 3.58 2.88 0.86 -4.78 113.62 114.82 1x5s n SER 40 Ca -0.15 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.31 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 -1.99 1.29 0.09 -1.46 2.12 -1.17 -4.98 118.70 112.60 1x5s s GLU 41 Ca 0.00 -0.60 0.04 0.00 0.36 0.00 0.00 54.97 54.77 1x5s s GLU 41 Cb 0.00 0.51 -0.03 0.00 0.26 0.00 0.00 34.13 34.87 1x5s s GLU 41 CO 0.00 -0.58 -0.11 0.08 -0.54 0.00 0.00 175.26 174.11 1x5s s VAL 42 N -3.57 0.95 -0.13 3.70 1.01 -1.26 0.13 120.40 121.23 1x5s s VAL 42 Ca 0.06 -1.49 -0.04 0.00 0.00 0.00 0.00 61.98 60.51 1x5s s VAL 42 Cb -0.02 -1.20 0.05 0.00 0.00 0.00 0.00 36.38 35.20 1x5s s VAL 42 CO -0.04 -0.45 0.07 -0.69 0.00 0.00 0.00 175.10 173.99 1x5s s VAL 43 N -2.02 -0.05 -0.35 2.92 1.01 0.81 -4.97 120.40 117.75 1x5s s VAL 43 Ca 0.02 0.01 -0.05 0.00 0.00 0.00 0.00 61.98 61.95 1x5s s VAL 43 Cb -0.06 -0.47 0.06 0.00 0.00 0.00 0.00 36.38 35.92 1x5s s VAL 43 CO 0.01 -0.12 0.12 -0.69 0.00 0.00 0.00 175.10 174.42 1x5s s VAL 44 N 2.13 3.61 0.29 2.92 1.01 -1.26 -1.02 120.40 128.07 1x5s s VAL 44 Ca 0.03 -1.38 -0.30 0.00 0.00 0.00 0.00 61.98 60.33 1x5s s VAL 44 Cb -0.15 -3.14 -0.11 0.00 0.00 0.00 0.00 36.38 32.98 1x5s s VAL 44 CO -0.07 -0.30 1.60 -0.69 0.00 0.00 0.00 175.10 175.64 1x5s s VAL 45 N 1.33 2.08 0.08 2.92 1.01 -1.24 -4.93 120.40 121.64 1x5s s VAL 45 Ca -0.00 0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.08 1x5s s VAL 45 Cb -0.21 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.10 1x5s s VAL 45 CO 0.01 0.01 -0.11 -0.54 0.00 0.00 0.00 175.10 174.46 1x5s s LYS 46 N -0.41 0.79 1.34 2.72 1.02 -1.26 -1.88 119.74 122.07 1x5s s LYS 46 Ca 0.64 -1.02 -0.22 0.00 0.02 0.00 0.00 55.97 55.39 1x5s s LYS 46 Cb -0.48 -0.63 0.35 0.00 -0.52 0.00 0.00 37.83 36.56 1x5s s LYS 46 CO 0.47 0.12 0.79 -3.47 -0.92 0.00 0.00 175.35 172.34 1x5s n ASP 47 N 0.98 -4.01 -0.09 2.83 2.03 -1.26 -4.81 116.55 112.22 1x5s n ASP 47 Ca -0.19 -0.80 -0.11 0.00 0.52 0.00 0.00 54.79 54.21 1x5s n ASP 47 Cb 0.56 -0.91 -0.15 0.00 -0.72 0.00 0.00 41.12 39.90 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 -5.46 0.68 -0.06 -0.67 3.00 -1.26 -3.24 116.66 109.65 1x5s n ARG 48 Ca 0.13 0.06 -0.04 0.00 -0.00 0.00 0.00 57.85 58.00 1x5s n ARG 48 Cb 0.55 -1.56 -0.01 0.00 0.00 0.00 0.00 32.46 31.43 1x5s n ARG 48 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1x5s h GLU 49 N 0.00 0.00 0.00 -0.14 5.08 -2.07 -3.40 114.58 114.05 1x5s h GLU 49 Ca -0.52 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.72 1x5s h GLU 49 Cb 2.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.40 1x5s h GLU 49 CO 0.02 0.00 -0.61 0.00 -1.00 0.00 0.00 179.01 177.42 1x5s h THR 50 N -0.93 0.91 -6.33 1.13 1.03 -1.98 -3.47 112.91 103.27 1x5s h THR 50 Ca 0.00 -2.31 -0.42 0.00 -0.01 0.00 0.00 66.41 63.67 1x5s h THR 50 Cb 0.41 2.44 -0.16 0.00 -1.07 0.00 0.00 68.15 69.77 1x5s h THR 50 CO 0.00 0.52 -0.65 1.67 -0.01 0.00 0.00 175.52 177.05 1x5s n GLN 51 N -3.21 -0.94 -0.01 0.00 7.27 -1.20 -4.81 117.38 114.48 1x5s n GLN 51 Ca 0.01 0.07 -0.01 0.00 0.07 0.00 0.00 57.00 57.13 1x5s n GLN 51 Cb 0.76 -2.52 -0.00 0.00 2.41 0.00 0.00 30.24 30.89 1x5s n GLN 51 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1x5s n ARG 52 N -3.35 0.08 -3.25 3.69 5.12 -1.26 -4.76 116.66 112.93 1x5s n ARG 52 Ca -0.18 0.03 0.03 0.00 -1.93 0.00 0.00 57.85 55.81 1x5s n ARG 52 Cb 0.45 -0.63 -0.03 0.00 -1.16 0.00 0.00 32.46 31.09 1x5s n ARG 52 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1x5s s SER 53 N -4.32 -0.35 0.11 0.55 0.15 -1.26 -4.87 113.70 103.71 1x5s s SER 53 Ca -0.04 0.39 -0.15 0.00 0.70 0.00 0.00 55.95 56.84 1x5s s SER 53 Cb 0.01 1.36 -0.04 0.00 -1.71 0.00 0.00 66.02 65.64 1x5s s SER 53 CO 0.06 -0.07 1.55 0.03 1.20 0.00 0.00 173.24 176.02 1x5s h ARG 54 N 7.51 0.65 0.00 5.44 2.47 -1.73 -3.47 114.38 125.26 1x5s h ARG 54 Ca -0.14 -0.21 0.00 0.00 -1.26 0.00 0.00 59.98 58.37 1x5s h ARG 54 Cb 1.14 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.40 1x5s h ARG 54 CO 0.01 0.77 0.00 0.41 0.56 0.00 0.00 179.97 181.72 1x5s n GLY 55 N -0.32 0.98 3.75 0.04 0.00 -1.26 -5.02 105.19 103.35 1x5s n GLY 55 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.98 0.18 0.02 1.61 -0.71 -1.26 0.62 117.98 117.47 1x5s s PHE 56 Ca 0.00 -0.68 -0.07 0.00 -1.04 0.00 0.00 56.93 55.14 1x5s s PHE 56 Cb 0.00 0.57 0.02 0.00 -1.21 0.00 0.00 43.02 42.40 1x5s s PHE 56 CO 0.00 -1.31 0.32 0.41 -1.34 0.00 0.00 175.22 173.29 1x5s n GLY 57 N -0.49 0.79 3.51 1.99 0.00 0.82 -3.65 105.19 108.16 1x5s n GLY 57 Ca -0.05 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 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 -3.78 -0.75 -0.17 1.61 0.40 -0.19 -0.94 117.98 114.16 1x5s s PHE 58 Ca 0.07 1.70 -0.00 0.00 -0.60 0.00 0.00 56.93 58.10 1x5s s PHE 58 Cb -0.00 0.33 -0.00 0.00 0.51 0.00 0.00 43.02 43.85 1x5s s PHE 58 CO 0.01 -0.37 -0.14 0.08 0.70 0.00 0.00 175.22 175.50 1x5s s VAL 59 N 0.78 2.76 -0.09 -0.44 1.01 -1.24 -0.13 120.40 123.04 1x5s s VAL 59 Ca -0.04 -0.73 -0.27 0.00 0.00 0.00 0.00 61.98 60.95 1x5s s VAL 59 Cb -0.05 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 1x5s s VAL 59 CO -0.06 0.50 0.87 -0.89 0.00 0.00 0.00 175.10 175.53 1x5s s THR 60 N 0.96 4.90 -0.15 3.92 2.01 0.12 -3.40 115.64 123.99 1x5s s THR 60 Ca -0.02 1.78 -0.06 0.00 0.31 0.00 0.00 61.69 63.69 1x5s s THR 60 Cb -0.15 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 1x5s s THR 60 CO -0.02 0.11 0.05 -0.36 -0.69 0.00 0.00 174.62 173.71 1x5s s PHE 61 N 1.53 3.26 0.20 4.92 0.40 -1.22 -0.10 117.98 126.98 1x5s s PHE 61 Ca 0.43 0.13 -0.13 0.00 -0.60 0.00 0.00 56.93 56.76 1x5s s PHE 61 Cb -0.18 -1.99 0.23 0.00 0.51 0.00 0.00 43.02 41.59 1x5s s PHE 61 CO 0.19 0.28 1.66 0.93 0.70 0.00 0.00 175.22 178.97 1x5s h GLU 62 N 6.17 0.08 -4.96 0.44 4.39 -1.86 -3.37 114.58 115.46 1x5s h GLU 62 Ca -0.41 -0.00 -0.65 0.00 0.34 0.00 0.00 59.36 58.63 1x5s h GLU 62 Cb 1.18 -0.02 -0.23 0.00 -0.10 0.00 0.00 28.75 29.58 1x5s h GLU 62 CO 0.65 0.05 -0.64 -0.80 -1.16 0.00 0.00 179.01 177.11 1x5s s ASN 63 N -5.24 5.00 0.30 1.42 -0.87 -1.26 -4.99 114.94 109.30 1x5s s ASN 63 Ca -0.14 -0.23 0.05 0.00 -1.57 0.00 0.00 52.86 50.97 1x5s s ASN 63 Cb 0.18 -1.89 0.80 0.00 -0.02 0.00 0.00 41.25 40.31 1x5s s ASN 63 CO 0.73 -0.03 1.63 0.40 -2.57 0.00 0.00 177.10 177.27 1x5s h ILE 64 N 5.56 0.26 0.43 0.60 2.04 -1.85 0.20 117.51 124.75 1x5s h ILE 64 Ca -0.39 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 1x5s h ILE 64 Cb 1.17 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1x5s h ILE 64 CO 0.58 0.03 -0.24 0.44 0.00 0.00 0.00 178.15 178.96 1x5s h ASP 65 N 0.18 -0.59 -0.79 1.72 3.32 -1.94 -2.98 116.42 115.34 1x5s h ASP 65 Ca 0.60 0.03 0.13 0.00 0.02 0.00 0.00 57.03 57.81 1x5s h ASP 65 Cb 1.26 0.17 -0.14 0.00 0.22 0.00 0.00 39.33 40.84 1x5s h ASP 65 CO -0.69 -0.39 -0.33 -0.78 -1.72 0.00 0.00 179.24 175.32 1x5s h ASP 66 N -0.63 -1.20 -0.65 6.45 3.58 -1.37 0.45 116.42 123.05 1x5s h ASP 66 Ca -0.05 0.26 0.12 0.00 0.42 0.00 0.00 57.03 57.78 1x5s h ASP 66 Cb 0.51 0.64 -0.12 0.00 1.72 0.00 0.00 39.33 42.07 1x5s h ASP 66 CO 0.07 -0.29 -0.32 0.00 -2.88 0.00 0.00 179.24 175.82 1x5s h ALA 67 N 1.29 0.05 -0.08 -0.78 0.00 -1.31 -0.86 119.26 117.56 1x5s h ALA 67 Ca 0.31 0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.45 1x5s h ALA 67 Cb 0.58 0.78 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 1x5s h ALA 67 CO -0.83 -0.63 -0.26 0.87 0.00 0.00 0.00 179.25 178.39 1x5s h LYS 68 N -0.12 -0.35 -0.78 0.00 1.57 -0.86 0.33 116.57 116.36 1x5s h LYS 68 Ca 0.26 0.02 0.13 0.00 -1.87 0.00 0.00 60.65 59.20 1x5s h LYS 68 Cb 0.55 0.08 -0.14 0.00 0.08 0.00 0.00 32.23 32.80 1x5s h LYS 68 CO -0.72 -0.23 -0.33 0.22 -0.57 0.00 0.00 179.45 177.81 1x5s h ASP 69 N -0.36 -1.19 1.32 0.86 3.58 -0.62 1.00 116.42 121.01 1x5s h ASP 69 Ca 0.09 0.26 -0.01 0.00 0.42 0.00 0.00 57.03 57.79 1x5s h ASP 69 Cb 0.49 0.63 -0.00 0.00 1.72 0.00 0.00 39.33 42.17 1x5s h ASP 69 CO -0.29 -0.29 -0.04 0.00 -2.88 0.00 0.00 179.24 175.74 1x5s h ALA 70 N 1.28 0.99 -0.12 -0.78 0.00 -0.88 -2.99 119.26 116.76 1x5s h ALA 70 Ca 0.30 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.03 1x5s h ALA 70 Cb 0.58 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1x5s h ALA 70 CO -0.82 0.05 -0.49 1.98 0.00 0.00 0.00 179.25 179.97 1x5s h MET 71 N 0.00 0.54 -0.04 0.00 1.85 0.48 -1.27 114.93 116.49 1x5s h MET 71 Ca -0.00 -0.42 -0.09 0.00 -0.61 0.00 0.00 59.70 58.57 1x5s h MET 71 Cb 0.71 0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.81 1x5s h MET 71 CO 0.00 1.05 -0.42 0.52 -0.40 0.00 0.00 176.91 177.67 1x5s h MET 72 N 0.15 0.08 0.12 0.39 2.07 -0.41 0.26 114.93 117.58 1x5s h MET 72 Ca -0.03 -0.03 -0.01 0.00 -2.07 0.00 0.00 59.70 57.56 1x5s h MET 72 Cb 1.13 -0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.86 1x5s h MET 72 CO 0.10 0.48 -0.06 0.00 1.07 0.00 0.00 176.91 178.51 1x5s h ALA 73 N 1.52 -0.16 -0.06 6.32 0.00 -1.52 -3.31 119.26 122.05 1x5s h ALA 73 Ca 0.00 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1x5s h ALA 73 Cb 0.77 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1x5s h ALA 73 CO 0.06 -0.20 -0.36 0.52 0.00 0.00 0.00 179.25 179.26 1x5s h MET 74 N -0.93 0.12 -5.08 0.00 2.86 -1.26 -3.42 114.93 107.21 1x5s h MET 74 Ca -0.02 -0.05 -0.35 0.00 -2.06 0.00 0.00 59.70 57.23 1x5s h MET 74 Cb 0.50 -0.01 -0.09 0.00 0.06 0.00 0.00 31.60 32.06 1x5s h MET 74 CO 0.03 0.47 1.67 -1.71 1.06 0.00 0.00 176.91 178.43 1x5s n ASN 75 N -4.09 -0.42 -0.24 1.22 5.15 0.92 0.11 115.26 117.92 1x5s n ASN 75 Ca -0.02 -0.51 0.00 0.00 -0.60 0.00 0.00 54.58 53.45 1x5s n ASN 75 Cb 0.42 -0.83 0.00 0.00 -0.53 0.00 0.00 39.78 38.84 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 0.99 3.67 8.20 0.00 -1.26 -4.81 105.19 117.92 1x5s n GLY 76 Ca 0.63 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.78 2.19 -0.37 1.61 -0.14 0.30 -5.04 119.74 115.52 1x5s s LYS 77 Ca 0.00 -1.67 -0.07 0.00 -1.36 0.00 0.00 55.97 52.87 1x5s s LYS 77 Cb 0.00 -2.02 0.06 0.00 -1.68 0.00 0.00 37.83 34.19 1x5s s LYS 77 CO 0.00 0.13 0.17 -1.12 -0.76 0.00 0.00 175.35 173.77 1x5s s SER 78 N -3.76 5.43 -0.61 2.83 0.01 -1.26 -3.70 113.70 112.64 1x5s s SER 78 Ca 0.36 -1.32 -0.23 0.00 1.31 0.00 0.00 55.95 56.07 1x5s s SER 78 Cb -0.01 -1.91 0.06 0.00 0.21 0.00 0.00 66.02 64.37 1x5s s SER 78 CO 0.20 -0.41 0.93 0.54 0.41 0.00 0.00 173.24 174.91 1x5s s VAL 79 N 1.40 4.39 -0.92 3.43 0.11 -1.26 -3.94 120.40 123.60 1x5s s VAL 79 Ca 0.01 -0.19 -0.00 0.00 -2.93 0.00 0.00 61.98 58.87 1x5s s VAL 79 Cb -0.21 -4.61 0.00 0.00 -1.53 0.00 0.00 36.38 30.03 1x5s s VAL 79 CO 0.02 -1.30 0.01 -0.67 -3.33 0.00 0.00 175.10 169.83 1x5s n ASP 80 N 7.50 -3.56 -0.75 3.54 -0.08 -1.26 -3.69 116.55 118.24 1x5s n ASP 80 Ca -0.02 -0.01 0.00 0.00 -1.51 0.00 0.00 54.79 53.24 1x5s n ASP 80 Cb 0.46 -2.79 0.00 0.00 2.34 0.00 0.00 41.12 41.13 1x5s n ASP 80 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x5s n GLY 81 N -1.01 0.49 1.85 0.27 0.00 -1.25 -5.10 105.19 100.43 1x5s n GLY 81 Ca -0.13 -0.35 -0.15 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.75 1.01 -2.17 1.61 5.12 -1.24 -5.08 116.66 115.15 1x5s n ARG 82 Ca 0.00 -1.90 -0.03 0.00 -1.93 0.00 0.00 57.85 54.00 1x5s n ARG 82 Cb 0.36 0.80 0.05 0.00 -1.16 0.00 0.00 32.46 32.51 1x5s n ARG 82 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1x5s n GLN 83 N -0.57 1.60 -1.48 5.56 6.02 -1.26 -4.12 117.38 123.13 1x5s n GLN 83 Ca -0.07 -3.23 -0.29 0.00 -0.01 0.00 0.00 57.00 53.41 1x5s n GLN 83 Cb 0.33 -1.32 0.12 0.00 1.02 0.00 0.00 30.24 30.39 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 -2.94 2.55 0.05 5.09 -4.36 -1.24 -4.97 121.20 115.37 1x5s s ILE 84 Ca 0.34 0.18 0.04 0.00 -0.26 0.00 0.00 60.65 60.95 1x5s s ILE 84 Cb 0.36 -2.88 -0.02 0.00 1.25 0.00 0.00 42.46 41.16 1x5s s ILE 84 CO -0.06 -0.23 -0.12 -0.60 0.24 0.00 0.00 174.94 174.17 1x5s s ARG 85 N -5.17 0.75 -0.15 0.37 6.06 -1.22 -3.62 118.95 115.98 1x5s s ARG 85 Ca 0.62 -0.77 0.01 0.00 -2.50 0.00 0.00 55.73 53.09 1x5s s ARG 85 Cb -0.15 -0.70 0.02 0.00 0.06 0.00 0.00 34.95 34.18 1x5s s ARG 85 CO 0.54 0.16 -0.15 0.08 -2.50 0.00 0.00 175.30 173.43 1x5s s VAL 86 N -1.06 1.62 0.20 7.11 1.01 -1.26 -3.26 120.40 124.75 1x5s s VAL 86 Ca -0.03 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.27 1x5s s VAL 86 Cb -0.09 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1x5s s VAL 86 CO 0.01 0.47 0.14 1.51 0.00 0.00 0.00 175.10 177.23 1x5s s ASP 87 N 1.40 0.15 0.19 3.32 -4.77 -1.16 -4.03 116.67 111.76 1x5s s ASP 87 Ca 0.03 -1.37 -0.33 0.00 -3.30 0.00 0.00 52.55 47.58 1x5s s ASP 87 Cb -0.13 0.38 -0.13 0.00 -1.09 0.00 0.00 42.92 41.95 1x5s s ASP 87 CO -0.10 -0.85 1.60 0.00 0.70 0.00 0.00 175.17 176.53 1x5s n GLN 88 N -0.27 2.33 -3.40 2.11 1.13 -1.26 -1.88 117.38 116.14 1x5s n GLN 88 Ca 0.02 0.84 -0.37 0.00 -1.94 0.00 0.00 57.00 55.54 1x5s n GLN 88 Cb 0.66 -2.62 -0.06 0.00 0.11 0.00 0.00 30.24 28.32 1x5s n GLN 88 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1x5s s ALA 89 N 0.87 3.53 -0.36 -1.58 0.00 -1.22 -4.56 121.76 118.44 1x5s s ALA 89 Ca 0.76 -0.27 0.13 0.00 0.00 0.00 0.00 51.96 52.58 1x5s s ALA 89 Cb -0.62 -2.55 0.42 0.00 0.00 0.00 0.00 23.12 20.37 1x5s s ALA 89 CO 0.38 0.06 1.30 0.41 0.00 0.00 0.00 175.76 177.91 1x5s n GLY 90 N 3.20 1.56 1.94 0.00 0.00 -1.26 -4.85 105.19 105.79 1x5s n GLY 90 Ca -0.09 -0.44 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.70 1.77 -3.66 1.61 4.81 -1.26 -4.74 118.16 115.99 1x5s n LYS 91 Ca -0.03 -1.26 -0.06 0.00 -0.87 0.00 0.00 58.31 56.08 1x5s n LYS 91 Cb 0.85 -1.64 -0.08 0.00 0.02 0.00 0.00 35.03 34.18 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 0.94 -0.52 -0.53 3.14 1.04 -1.26 -5.04 113.70 111.46 1x5s s SER 92 Ca 0.35 1.16 0.02 0.00 0.48 0.00 0.00 55.95 57.97 1x5s s SER 92 Cb 0.23 1.60 0.43 0.00 0.10 0.00 0.00 66.02 68.38 1x5s s SER 92 CO -0.05 -0.23 1.56 -1.54 0.98 0.00 0.00 173.24 173.97 1x5s n SER 93 N 5.36 6.14 -4.53 7.02 3.41 -1.26 -4.98 113.62 124.78 1x5s n SER 93 Ca -0.10 -3.77 -0.38 0.00 -0.26 0.00 0.00 58.87 54.36 1x5s n SER 93 Cb 0.50 -0.68 -0.12 0.00 -0.26 0.00 0.00 64.21 63.65 1x5s n SER 93 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1x5s s ASP 94 N -2.63 5.67 -0.32 4.04 -4.77 -1.26 -5.05 116.67 112.35 1x5s s ASP 94 Ca 0.54 -0.12 0.01 0.00 -3.30 0.00 0.00 52.55 49.69 1x5s s ASP 94 Cb 0.44 -2.04 0.10 0.00 -1.09 0.00 0.00 42.92 40.33 1x5s s ASP 94 CO -0.11 -0.06 0.08 0.21 0.70 0.00 0.00 175.17 175.99 1x5s s ASN 95 N 1.70 4.37 -0.28 2.11 3.84 -1.26 -5.10 114.94 120.33 1x5s s ASN 95 Ca 0.07 -1.88 -0.16 0.00 0.21 0.00 0.00 52.86 51.10 1x5s s ASN 95 Cb -0.16 -1.22 -0.03 0.00 -0.55 0.00 0.00 41.25 39.30 1x5s s ASN 95 CO 0.08 -0.40 0.42 -0.60 -2.79 0.00 0.00 177.10 173.81 1x5s s ARG 96 N 1.29 3.97 0.06 0.43 3.00 -1.26 -5.07 118.95 121.37 1x5s s ARG 96 Ca 0.10 0.07 0.05 0.00 -1.00 0.00 0.00 55.73 54.94 1x5s s ARG 96 Cb -0.18 -3.68 -0.04 0.00 0.00 0.00 0.00 34.95 31.06 1x5s s ARG 96 CO -0.17 -0.34 -0.05 0.45 0.00 0.00 0.00 175.30 175.19 1x5s s SER 97 N 1.63 4.75 0.01 -2.12 0.15 -1.26 -5.13 113.70 111.74 1x5s s SER 97 Ca 0.17 -0.20 0.05 0.00 0.70 0.00 0.00 55.95 56.67 1x5s s SER 97 Cb -0.16 -1.08 -0.03 0.00 -1.71 0.00 0.00 66.02 63.04 1x5s s SER 97 CO 0.10 0.22 -0.14 -0.83 1.20 0.00 0.00 173.24 173.79 1x5s s GLY 98 N -1.93 1.61 0.61 9.45 0.00 -1.26 -5.12 107.32 110.68 1x5s s GLY 98 Ca 0.21 -1.10 -0.17 0.00 0.00 0.00 0.00 44.72 43.66 1x5s s GLY 98 CO 0.13 -0.97 1.12 2.56 0.00 0.00 0.00 173.10 175.94 1x5s s PRO 99 N -1.29 3.03 0.16 2.90 0.04 -1.26 -4.95 135.00 133.63 1x5s s PRO 99 Ca 0.15 1.48 -0.16 0.00 0.04 0.00 0.00 61.00 62.51 1x5s s PRO 99 Cb -0.11 -1.97 0.10 0.00 0.04 0.00 0.00 34.50 32.56 1x5s s PRO 99 CO 0.05 -1.08 1.72 0.66 0.04 0.00 0.00 177.00 178.39 1x5s h SER 100 N 0.52 -0.01 -5.02 6.66 4.64 -2.09 -3.44 113.55 114.81 1x5s h SER 100 Ca -0.48 0.07 -0.06 0.00 -0.47 0.00 0.00 61.79 60.84 1x5s h SER 100 Cb 1.25 0.10 -0.17 0.00 -0.31 0.00 0.00 62.40 63.27 1x5s h SER 100 CO 0.55 0.03 0.03 -0.44 -0.87 0.00 0.00 176.83 176.13 1x5s s SER 101 N -5.30 -0.44 0.00 4.97 0.01 -1.26 -5.36 113.70 106.31 1x5s s SER 101 Ca -0.13 0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.35 1x5s s SER 101 Cb 0.13 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.85 1x5s s SER 101 CO 0.71 -0.69 0.15 0.61 0.41 0.00 0.00 173.24 174.43