#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x48 s SER 2 N 0.00 6.35 0.21 1.61 0.15 -1.26 -4.96 113.70 115.80 1x48 s SER 2 Ca 0.00 -2.16 -0.30 0.00 0.70 0.00 0.00 55.95 54.20 1x48 s SER 2 Cb 0.00 -2.58 -0.08 0.00 -1.71 0.00 0.00 66.02 61.65 1x48 s SER 2 CO 0.00 -1.68 1.07 -0.94 1.20 0.00 0.00 173.24 172.89 1x48 s SER 3 N 4.89 7.34 0.00 5.45 1.04 -1.26 -4.52 113.70 126.64 1x48 s SER 3 Ca 0.57 2.10 0.00 0.00 0.48 0.00 0.00 55.95 59.10 1x48 s SER 3 Cb 0.02 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1x48 s SER 3 CO 0.08 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.77 1x48 n GLY 4 N 1.76 0.38 3.67 7.32 0.00 -1.26 -5.11 105.19 111.95 1x48 n GLY 4 Ca 0.01 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1x48 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x48 s SER 5 N 0.00 6.84 -0.21 1.61 0.01 -1.26 -5.00 113.70 115.69 1x48 s SER 5 Ca 0.00 1.97 -0.05 0.00 1.31 0.00 0.00 55.95 59.18 1x48 s SER 5 Cb 0.00 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 1x48 s SER 5 CO 0.00 -0.79 0.00 -0.55 0.41 0.00 0.00 173.24 172.31 1x48 s SER 6 N 2.36 4.84 0.00 2.44 0.15 -1.26 -4.92 113.70 117.30 1x48 s SER 6 Ca 0.63 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 57.07 1x48 s SER 6 Cb -0.28 -1.83 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 1x48 s SER 6 CO 0.23 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.33 1x48 n GLY 7 N 4.33 -0.65 0.09 9.45 0.00 -1.26 -5.06 105.19 112.09 1x48 n GLY 7 Ca -0.17 0.26 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 1x48 n GLY 7 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1x48 n TYR 8 N 0.00 0.41 -0.24 1.61 4.02 -1.26 -4.13 117.16 117.57 1x48 n TYR 8 Ca 0.00 0.14 0.22 0.00 -0.01 0.00 0.00 57.90 58.25 1x48 n TYR 8 Cb 0.00 -1.07 0.41 0.00 -0.02 0.00 0.00 39.34 38.65 1x48 n TYR 8 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 1x48 n ILE 9 N -2.90 -0.31 0.00 -0.72 2.08 -1.26 0.23 119.36 116.48 1x48 n ILE 9 Ca -0.27 1.50 -0.04 0.00 0.56 0.00 0.00 62.75 64.50 1x48 n ILE 9 Cb 1.11 -2.41 -0.11 0.00 -0.75 0.00 0.00 39.64 37.48 1x48 n ILE 9 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1x48 n GLY 10 N -1.21 -1.10 0.39 7.39 0.00 -1.26 -4.39 105.19 105.01 1x48 n GLY 10 Ca 0.27 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 46.06 1x48 n GLY 10 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x48 h LEU 11 N 0.00 -1.57 -0.52 0.99 3.38 0.28 -2.40 115.31 115.46 1x48 h LEU 11 Ca -0.24 0.20 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1x48 h LEU 11 Cb 1.80 0.63 -0.08 0.00 0.09 0.00 0.00 40.66 43.10 1x48 h LEU 11 CO 0.06 -0.36 -0.49 0.58 0.09 0.00 0.00 178.44 178.32 1x48 h VAL 12 N -0.38 0.00 0.00 1.22 2.07 -1.71 0.31 116.25 117.75 1x48 h VAL 12 Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1x48 h VAL 12 Cb 0.53 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1x48 h VAL 12 CO -0.47 0.00 0.00 0.59 0.02 0.00 0.00 177.57 177.71 1x48 n ASN 13 N -4.95 0.00 0.20 0.57 3.02 -0.92 -0.51 115.26 112.66 1x48 n ASN 13 Ca -0.01 0.65 -0.15 0.00 -0.03 0.00 0.00 54.58 55.04 1x48 n ASN 13 Cb 0.27 -0.29 -0.07 0.00 -0.61 0.00 0.00 39.78 39.07 1x48 n ASN 13 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1x48 h SER 14 N 0.00 -0.91 -0.50 6.41 0.02 -1.27 -3.05 113.55 114.24 1x48 h SER 14 Ca 0.00 0.08 0.04 0.00 -0.84 0.00 0.00 61.79 61.08 1x48 h SER 14 Cb 0.00 0.32 -0.06 0.00 0.14 0.00 0.00 62.40 62.80 1x48 h SER 14 CO 0.00 -0.46 -0.29 0.33 -1.14 0.00 0.00 176.83 175.26 1x48 n PHE 15 N -5.44 -0.22 -0.35 3.45 -0.00 0.10 -0.62 117.46 114.38 1x48 n PHE 15 Ca -0.09 0.62 -0.10 0.00 -0.00 0.00 0.00 57.45 57.89 1x48 n PHE 15 Cb 0.35 -0.50 -0.09 0.00 -0.00 0.00 0.00 39.48 39.24 1x48 n PHE 15 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1x48 h ALA 16 N -0.03 -0.50 -0.56 3.13 0.00 -0.69 0.17 119.26 120.77 1x48 h ALA 16 Ca 0.08 0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.20 1x48 h ALA 16 Cb 0.20 1.32 -0.11 0.00 0.00 0.00 0.00 17.79 19.20 1x48 h ALA 16 CO -0.47 -0.86 -0.15 0.37 0.00 0.00 0.00 179.25 178.14 1x48 h GLN 17 N -0.02 -0.01 -0.92 0.00 4.15 -0.84 0.24 115.11 117.71 1x48 h GLN 17 Ca 0.14 0.00 0.15 0.00 0.77 0.00 0.00 58.65 59.71 1x48 h GLN 17 Cb 0.37 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 27.99 1x48 h GLN 17 CO -0.80 -0.01 0.59 0.87 -1.93 0.00 0.00 178.83 177.54 1x48 h LYS 18 N -0.01 0.67 -0.77 1.69 1.57 0.63 0.35 116.57 120.70 1x48 h LYS 18 Ca 0.27 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.93 1x48 h LYS 18 Cb 0.42 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 1x48 h LYS 18 CO -0.58 0.45 0.10 1.63 -0.57 0.00 0.00 179.45 180.47 1x48 n LYS 19 N -4.58 3.40 -2.87 3.15 4.01 0.63 -4.88 118.16 117.01 1x48 n LYS 19 Ca 0.18 -2.24 -0.12 0.00 -0.51 0.00 0.00 58.31 55.63 1x48 n LYS 19 Cb 0.50 -2.01 -0.01 0.00 -0.51 0.00 0.00 35.03 33.00 1x48 n LYS 19 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1x48 n LYS 20 N 0.20 -2.62 -2.78 1.97 2.85 0.12 -4.90 118.16 113.00 1x48 n LYS 20 Ca 0.25 0.23 -0.21 0.00 -1.05 0.00 0.00 58.31 57.52 1x48 n LYS 20 Cb 1.02 -4.80 0.07 0.00 -0.65 0.00 0.00 35.03 30.68 1x48 n LYS 20 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1x48 s LEU 21 N -5.65 3.12 -0.02 -5.58 1.43 -0.02 -4.98 118.68 106.97 1x48 s LEU 21 Ca 0.17 -0.49 0.08 0.00 -1.03 0.00 0.00 54.13 52.86 1x48 s LEU 21 Cb -0.09 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.07 1x48 s LEU 21 CO 0.20 -1.50 -0.26 -0.55 0.23 0.00 0.00 176.35 174.48 1x48 s SER 22 N -4.64 3.01 -0.09 2.29 0.15 -1.26 -4.36 113.70 108.81 1x48 s SER 22 Ca 0.63 -0.47 0.03 0.00 0.70 0.00 0.00 55.95 56.84 1x48 s SER 22 Cb -0.06 -0.40 0.01 0.00 -1.71 0.00 0.00 66.02 63.85 1x48 s SER 22 CO 0.41 0.31 -0.19 0.54 1.20 0.00 0.00 173.24 175.50 1x48 s VAL 23 N -0.55 1.70 0.12 4.45 0.11 -1.26 -1.67 120.40 123.30 1x48 s VAL 23 Ca 0.08 -0.80 0.10 0.00 -2.93 0.00 0.00 61.98 58.43 1x48 s VAL 23 Cb -0.10 -1.50 -0.04 0.00 -1.53 0.00 0.00 36.38 33.21 1x48 s VAL 23 CO -0.00 0.48 -0.25 0.21 -3.33 0.00 0.00 175.10 172.20 1x48 s ASN 24 N 0.53 3.09 -0.36 3.54 3.84 0.63 -4.97 114.94 121.24 1x48 s ASN 24 Ca -0.16 -0.72 0.02 0.00 0.21 0.00 0.00 52.86 52.22 1x48 s ASN 24 Cb -0.17 -0.20 0.11 0.00 -0.55 0.00 0.00 41.25 40.44 1x48 s ASN 24 CO 0.06 0.15 0.11 -0.31 -2.79 0.00 0.00 177.10 174.32 1x48 s TYR 25 N -1.06 2.86 0.13 0.43 2.02 -1.25 -0.78 117.35 119.69 1x48 s TYR 25 Ca 0.12 -2.56 -0.24 0.00 -0.37 0.00 0.00 57.07 54.01 1x48 s TYR 25 Cb -0.10 -2.42 -0.07 0.00 -0.40 0.00 0.00 41.96 38.97 1x48 s TYR 25 CO 0.05 -0.89 0.75 -1.21 -1.57 0.00 0.00 175.55 172.68 1x48 s GLU 26 N 0.95 4.51 -0.30 -0.62 8.01 0.54 -4.83 118.70 126.95 1x48 s GLU 26 Ca 0.12 1.09 -0.01 0.00 0.01 0.00 0.00 54.97 56.18 1x48 s GLU 26 Cb -0.20 -3.28 0.06 0.00 -4.31 0.00 0.00 34.13 26.40 1x48 s GLU 26 CO -0.12 0.53 -0.00 -1.14 0.01 0.00 0.00 175.26 174.54 1x48 s GLN 27 N -0.94 2.32 0.80 1.61 -0.44 -1.26 -0.34 119.66 121.42 1x48 s GLN 27 Ca 0.35 -1.35 -0.16 0.00 -2.50 0.00 0.00 55.36 51.71 1x48 s GLN 27 Cb -0.22 -3.16 -0.14 0.00 -1.64 0.00 0.00 33.01 27.85 1x48 s GLN 27 CO 0.25 -0.66 -0.58 0.00 0.50 0.00 0.00 175.29 174.80 1x48 s GLU 29 N -1.60 3.29 0.00 0.00 -1.05 -1.26 -4.89 118.70 113.18 1x48 s GLU 29 Ca 0.41 -0.31 0.00 0.00 -0.15 0.00 0.00 54.97 54.92 1x48 s GLU 29 Cb -0.24 -3.03 0.00 0.00 -0.44 0.00 0.00 34.13 30.42 1x48 s GLU 29 CO 0.72 0.71 0.00 -0.35 0.95 0.00 0.00 175.26 177.29 1x48 n PRO 30 N 1.53 -0.31 -3.61 -4.83 -0.04 -1.26 -4.49 135.00 121.99 1x48 n PRO 30 Ca -0.16 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.07 1x48 n PRO 30 Cb 0.54 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.07 1x48 n PRO 30 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1x48 n ASN 31 N -1.94 -5.73 0.00 3.54 3.02 -1.26 -4.85 115.26 108.04 1x48 n ASN 31 Ca 0.00 -0.57 0.00 0.00 -0.03 0.00 0.00 54.58 53.98 1x48 n ASN 31 Cb 0.00 -4.95 0.00 0.00 -0.61 0.00 0.00 39.78 34.22 1x48 n ASN 31 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1x48 n SER 32 N -3.02 1.38 -3.49 6.41 7.64 -1.26 -5.13 113.62 116.16 1x48 n SER 32 Ca -0.03 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.72 1x48 n SER 32 Cb 0.57 0.01 -0.04 0.00 -1.01 0.00 0.00 64.21 63.74 1x48 n SER 32 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1x48 s GLU 33 N -1.34 1.05 0.12 1.43 2.56 -1.26 -5.18 118.70 116.08 1x48 s GLU 33 Ca 0.00 -0.10 0.09 0.00 0.00 0.00 0.00 54.97 54.96 1x48 s GLU 33 Cb 0.00 0.49 -0.04 0.00 2.00 0.00 0.00 34.13 36.58 1x48 s GLU 33 CO 0.00 -0.40 -0.21 -0.51 -0.56 0.00 0.00 175.26 173.58 1x48 s LEU 34 N -1.94 2.33 0.00 2.70 1.43 -1.26 -4.22 118.68 117.72 1x48 s LEU 34 Ca -0.03 -0.72 -0.19 0.00 -1.03 0.00 0.00 54.13 52.15 1x48 s LEU 34 Cb -0.01 -0.92 0.28 0.00 0.03 0.00 0.00 46.19 45.57 1x48 s LEU 34 CO -0.02 0.06 1.00 -0.81 0.23 0.00 0.00 176.35 176.81 1x48 n PRO 35 N 0.93 -2.97 -2.47 1.29 -0.04 -1.26 -5.05 135.00 125.42 1x48 n PRO 35 Ca -0.18 -1.60 -0.43 0.00 -0.04 0.00 0.00 63.50 61.25 1x48 n PRO 35 Cb 0.54 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.48 1x48 n PRO 35 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1x48 s GLN 36 N -5.27 3.69 -0.15 0.54 -2.07 -1.26 -5.01 119.66 110.14 1x48 s GLN 36 Ca 0.65 0.83 -0.05 0.00 -1.82 0.00 0.00 55.36 54.97 1x48 s GLN 36 Cb -0.06 -3.95 -0.04 0.00 -1.09 0.00 0.00 33.01 27.87 1x48 s GLN 36 CO 0.50 -1.42 0.04 0.50 -1.32 0.00 0.00 175.29 173.59 1x48 s ARG 37 N 4.61 3.65 -0.25 9.60 3.52 -1.26 -5.02 118.95 133.80 1x48 s ARG 37 Ca 0.55 -0.37 -0.24 0.00 -0.13 0.00 0.00 55.73 55.54 1x48 s ARG 37 Cb -0.11 -3.06 -0.01 0.00 -1.56 0.00 0.00 34.95 30.21 1x48 s ARG 37 CO 0.30 0.41 0.79 -0.06 -0.81 0.00 0.00 175.30 175.93 1x48 s PHE 38 N -0.05 3.30 -0.09 5.12 0.08 -1.02 -4.99 117.98 120.32 1x48 s PHE 38 Ca 0.05 1.05 0.03 0.00 0.12 0.00 0.00 56.93 58.19 1x48 s PHE 38 Cb -0.12 -3.02 0.00 0.00 -0.57 0.00 0.00 43.02 39.32 1x48 s PHE 38 CO 0.01 -0.39 -0.20 0.42 -0.10 0.00 0.00 175.22 174.96 1x48 s ILE 39 N 2.78 1.75 -0.21 0.64 1.01 -1.26 -1.23 121.20 124.68 1x48 s ILE 39 Ca 0.33 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 60.16 1x48 s ILE 39 Cb -0.15 -1.53 0.04 0.00 0.01 0.00 0.00 42.46 40.83 1x48 s ILE 39 CO 0.08 0.49 -0.16 0.00 0.00 0.00 0.00 174.94 175.35 1x48 s LYS 41 N 1.24 4.02 -0.37 0.00 1.02 0.54 -0.10 119.74 126.10 1x48 s LYS 41 Ca -0.00 -0.27 -0.12 0.00 0.02 0.00 0.00 55.97 55.60 1x48 s LYS 41 Cb -0.16 -3.30 0.01 0.00 -0.52 0.00 0.00 37.83 33.86 1x48 s LYS 41 CO -0.10 0.34 0.23 0.00 -0.92 0.00 0.00 175.35 174.90 1x48 s LYS 43 N 1.63 3.23 -0.50 0.00 1.02 0.04 -2.86 119.74 122.29 1x48 s LYS 43 Ca 0.04 -0.58 -0.14 0.00 0.02 0.00 0.00 55.97 55.30 1x48 s LYS 43 Cb -0.18 -2.70 0.11 0.00 -0.52 0.00 0.00 37.83 34.53 1x48 s LYS 43 CO 0.08 0.39 0.43 0.42 -0.92 0.00 0.00 175.35 175.76 1x48 s ILE 44 N -0.09 4.98 -1.08 2.17 -1.09 0.78 -0.27 121.20 126.60 1x48 s ILE 44 Ca 0.00 -1.42 -0.01 0.00 -2.23 0.00 0.00 60.65 57.00 1x48 s ILE 44 Cb -0.13 -4.13 0.00 0.00 -1.58 0.00 0.00 42.46 36.61 1x48 s ILE 44 CO 0.03 -0.75 0.91 0.61 -1.23 0.00 0.00 174.94 174.51 1x48 n GLY 45 N 5.16 -0.28 2.27 6.18 0.00 -0.67 -2.38 105.19 115.47 1x48 n GLY 45 Ca -0.12 0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 1x48 n GLY 45 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1x48 n GLN 46 N -3.86 -0.87 -4.99 1.61 -0.06 -1.26 -5.01 117.38 102.94 1x48 n GLN 46 Ca -0.24 0.72 -0.29 0.00 -2.00 0.00 0.00 57.00 55.19 1x48 n GLN 46 Cb 0.65 -4.80 -0.17 0.00 -4.06 0.00 0.00 30.24 21.86 1x48 n GLN 46 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 1x48 s THR 47 N -2.51 1.70 -0.33 1.69 2.01 -1.00 -5.10 115.64 112.10 1x48 s THR 47 Ca 0.00 -0.83 -0.29 0.00 0.31 0.00 0.00 61.69 60.88 1x48 s THR 47 Cb 0.00 -1.48 0.01 0.00 0.01 0.00 0.00 72.50 71.04 1x48 s THR 47 CO 0.00 0.48 1.29 -0.32 -0.69 0.00 0.00 174.62 175.38 1x48 s MET 48 N 0.27 3.86 -0.03 4.92 1.75 -1.26 -0.16 119.30 128.65 1x48 s MET 48 Ca -0.12 1.14 -0.08 0.00 -1.25 0.00 0.00 55.69 55.38 1x48 s MET 48 Cb -0.15 -3.89 -0.03 0.00 2.84 0.00 0.00 34.83 33.60 1x48 s MET 48 CO 0.05 -1.19 -0.15 0.66 -0.65 0.00 0.00 175.02 173.74 1x48 n TYR 49 N 7.77 0.00 -3.95 4.11 4.02 -1.19 -4.95 117.16 122.96 1x48 n TYR 49 Ca 0.15 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.94 1x48 n TYR 49 Cb 0.47 -0.22 -0.11 0.00 -0.02 0.00 0.00 39.34 39.46 1x48 n TYR 49 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1x48 s GLY 50 N -4.32 0.18 -0.21 2.72 0.00 -1.14 -4.51 107.32 100.06 1x48 s GLY 50 Ca -0.13 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.15 1x48 s GLY 50 CO 0.19 -0.52 -0.07 -1.59 0.00 0.00 0.00 173.10 171.11 1x48 s THR 51 N -1.24 1.48 0.11 0.90 2.01 -1.26 -0.60 115.64 117.04 1x48 s THR 51 Ca -0.14 -1.01 -0.07 0.00 0.31 0.00 0.00 61.69 60.78 1x48 s THR 51 Cb -0.08 -1.65 -0.06 0.00 0.01 0.00 0.00 72.50 70.72 1x48 s THR 51 CO -0.01 0.05 0.38 -0.83 -0.69 0.00 0.00 174.62 173.53 1x48 s GLY 52 N 1.45 2.28 -0.01 4.40 0.00 0.86 -4.69 107.32 111.62 1x48 s GLY 52 Ca -0.03 -0.48 0.01 0.00 0.00 0.00 0.00 44.72 44.23 1x48 s GLY 52 CO -0.07 -0.33 -0.04 -1.35 0.00 0.00 0.00 173.10 171.31 1x48 s SER 53 N -2.10 0.50 -0.06 1.64 1.04 -1.26 -0.52 113.70 112.94 1x48 s SER 53 Ca 0.37 -0.07 -0.31 0.00 0.48 0.00 0.00 55.95 56.41 1x48 s SER 53 Cb -0.13 -0.07 0.11 0.00 0.10 0.00 0.00 66.02 66.03 1x48 s SER 53 CO 0.21 0.04 1.05 -0.83 0.98 0.00 0.00 173.24 174.70 1x48 s GLY 54 N -0.03 -0.37 0.50 7.32 0.00 -0.36 -4.52 107.32 109.86 1x48 s GLY 54 Ca 0.01 1.14 0.23 0.00 0.00 0.00 0.00 44.72 46.09 1x48 s GLY 54 CO -0.00 0.36 2.07 -0.39 0.00 0.00 0.00 173.10 175.14 1x48 h VAL 55 N 2.00 0.78 -4.29 1.40 -1.51 -1.96 -2.71 116.25 109.97 1x48 h VAL 55 Ca -0.18 -0.49 -0.69 0.00 -1.23 0.00 0.00 66.70 64.11 1x48 h VAL 55 Cb 1.21 1.29 -0.26 0.00 -2.13 0.00 0.00 31.29 31.39 1x48 h VAL 55 CO 0.27 0.12 -0.88 -0.89 -1.23 0.00 0.00 177.57 174.97 1x48 s THR 56 N -4.43 2.11 0.12 7.19 2.01 -1.26 -4.37 115.64 117.00 1x48 s THR 56 Ca -0.04 -1.39 -0.28 0.00 0.31 0.00 0.00 61.69 60.29 1x48 s THR 56 Cb 0.14 -1.81 -0.09 0.00 0.01 0.00 0.00 72.50 70.75 1x48 s THR 56 CO 0.62 0.35 1.47 0.11 -0.69 0.00 0.00 174.62 176.48 1x48 h LYS 57 N 4.77 -0.30 -0.20 4.92 1.79 -1.88 -2.20 116.57 123.48 1x48 h LYS 57 Ca -0.46 0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.05 1x48 h LYS 57 Cb 1.14 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 31.83 1x48 h LYS 57 CO 0.43 -0.20 -0.16 0.37 -1.08 0.00 0.00 179.45 178.81 1x48 h GLN 58 N -0.31 -0.06 -0.83 3.15 4.15 -1.96 0.18 115.11 119.43 1x48 h GLN 58 Ca 0.07 0.00 0.16 0.00 0.77 0.00 0.00 58.65 59.65 1x48 h GLN 58 Cb 0.50 0.01 -0.15 0.00 0.21 0.00 0.00 27.48 28.05 1x48 h GLN 58 CO -0.54 -0.04 -0.23 -1.91 -1.93 0.00 0.00 178.83 174.18 1x48 n GLU 59 N -3.55 -0.09 0.00 1.69 2.13 -0.99 -0.14 120.64 119.68 1x48 n GLU 59 Ca -0.00 1.29 0.00 0.00 0.66 0.00 0.00 57.16 59.11 1x48 n GLU 59 Cb 0.09 -1.92 0.00 0.00 0.27 0.00 0.00 31.44 29.87 1x48 n GLU 59 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1x48 n ALA 60 N -3.67 -0.27 -0.56 4.31 0.00 -0.14 -1.95 120.51 118.23 1x48 n ALA 60 Ca 0.12 0.00 0.43 0.00 0.00 0.00 0.00 53.44 53.99 1x48 n ALA 60 Cb 0.40 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.52 1x48 n ALA 60 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1x48 n LYS 61 N -1.60 -0.01 0.05 0.00 4.81 0.43 -0.54 118.16 121.30 1x48 n LYS 61 Ca 0.00 0.96 -0.02 0.00 -0.87 0.00 0.00 58.31 58.37 1x48 n LYS 61 Cb 0.00 -2.12 -0.01 0.00 0.02 0.00 0.00 35.03 32.92 1x48 n LYS 61 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1x48 h GLN 62 N 0.00 -0.15 -0.68 1.64 4.20 -0.46 -3.31 115.11 116.36 1x48 h GLN 62 Ca 0.79 0.01 0.15 0.00 0.06 0.00 0.00 58.65 59.65 1x48 h GLN 62 Cb 3.02 0.03 -0.12 0.00 0.30 0.00 0.00 27.48 30.71 1x48 h GLN 62 CO -0.11 -0.10 -0.02 -0.07 -0.67 0.00 0.00 178.83 177.86 1x48 h LEU 63 N -0.30 -0.36 -1.19 1.46 3.38 -0.14 0.11 115.31 118.27 1x48 h LEU 63 Ca -0.02 0.18 0.44 0.00 0.09 0.00 0.00 57.88 58.57 1x48 h LEU 63 Cb 0.12 0.32 -0.15 0.00 0.09 0.00 0.00 40.66 41.04 1x48 h LEU 63 CO 0.03 -0.16 0.73 0.00 0.09 0.00 0.00 178.44 179.13 1x48 n ALA 64 N -2.90 1.19 -0.04 1.53 0.00 -0.28 0.11 120.51 120.12 1x48 n ALA 64 Ca 0.11 0.88 -0.13 0.00 0.00 0.00 0.00 53.44 54.30 1x48 n ALA 64 Cb 0.40 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.77 1x48 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x48 h ALA 65 N 1.66 0.13 -0.89 0.00 0.00 -0.86 -2.84 119.26 116.46 1x48 h ALA 65 Ca 0.83 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 55.53 1x48 h ALA 65 Cb 2.51 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 20.17 1x48 h ALA 65 CO -0.55 -0.05 -0.52 1.17 0.00 0.00 0.00 179.25 179.29 1x48 n LYS 66 N -4.68 -0.39 0.14 0.00 4.81 0.30 -0.11 118.16 118.22 1x48 n LYS 66 Ca -0.07 1.41 -0.14 0.00 -0.87 0.00 0.00 58.31 58.65 1x48 n LYS 66 Cb 0.31 -2.08 -0.07 0.00 0.02 0.00 0.00 35.03 33.21 1x48 n LYS 66 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1x48 h GLU 67 N 0.00 -0.30 -0.94 1.64 3.07 -1.62 -2.53 114.58 113.90 1x48 h GLU 67 Ca 0.14 0.02 0.26 0.00 -0.50 0.00 0.00 59.36 59.28 1x48 h GLU 67 Cb 0.36 0.07 -0.14 0.00 -0.84 0.00 0.00 28.75 28.21 1x48 h GLU 67 CO -0.83 -0.20 0.43 0.00 -1.40 0.00 0.00 179.01 177.00 1x48 h ALA 68 N 0.48 1.60 0.05 3.43 0.00 -0.78 0.54 119.26 124.56 1x48 h ALA 68 Ca -0.02 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1x48 h ALA 68 Cb 0.27 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1x48 h ALA 68 CO 0.02 -0.44 -0.02 -0.92 0.00 0.00 0.00 179.25 177.88 1x48 h TYR 69 N 0.35 -0.06 -0.64 0.00 3.20 -0.09 -2.78 116.97 116.94 1x48 h TYR 69 Ca 0.62 -0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.59 1x48 h TYR 69 Cb 1.29 0.02 -0.07 0.00 1.54 0.00 0.00 36.73 39.50 1x48 h TYR 69 CO -0.12 -0.01 0.26 1.96 -1.64 0.00 0.00 178.16 178.61 1x48 h GLN 70 N -0.10 0.44 -0.59 1.82 1.08 -0.67 -1.47 115.11 115.62 1x48 h GLN 70 Ca -0.01 -0.03 0.10 0.00 -1.45 0.00 0.00 58.65 57.27 1x48 h GLN 70 Cb 0.08 -0.10 -0.08 0.00 -0.05 0.00 0.00 27.48 27.33 1x48 h GLN 70 CO 0.01 0.29 0.16 -0.22 -0.95 0.00 0.00 178.83 178.12 1x48 h LYS 71 N 0.45 0.29 -0.16 1.46 3.11 -1.09 -1.49 116.57 119.14 1x48 h LYS 71 Ca 0.33 -0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 58.15 1x48 h LYS 71 Cb 0.40 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.56 1x48 h LYS 71 CO -0.31 0.19 0.09 -0.07 -2.81 0.00 0.00 179.45 176.55 1x48 h LEU 72 N 0.30 0.20 -1.93 5.20 3.38 -1.04 0.25 115.31 121.68 1x48 h LEU 72 Ca 0.30 -0.08 0.15 0.00 0.09 0.00 0.00 57.88 58.34 1x48 h LEU 72 Cb 0.43 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1x48 h LEU 72 CO -0.36 0.22 0.38 -0.07 0.09 0.00 0.00 178.44 178.70 1x48 h LEU 73 N 0.17 0.07 0.00 1.67 3.38 -0.61 -1.73 115.31 118.25 1x48 h LEU 73 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1x48 h LEU 73 Cb 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1x48 h LEU 73 CO -0.01 0.04 -0.19 0.11 0.09 0.00 0.00 178.44 178.48 1x48 h LYS 74 N 0.07 0.00 -3.23 1.13 1.79 -0.67 -3.44 116.57 112.23 1x48 h LYS 74 Ca 0.26 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 58.10 1x48 h LYS 74 Cb 0.93 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 31.17 1x48 h LYS 74 CO -0.02 0.00 -0.62 -1.12 -1.08 0.00 0.00 179.45 176.61 1x48 s SER 75 N -5.15 4.43 0.99 0.86 0.01 0.84 -5.10 113.70 110.56 1x48 s SER 75 Ca -0.05 -3.32 -0.12 0.00 1.31 0.00 0.00 55.95 53.76 1x48 s SER 75 Cb 0.01 -1.59 0.18 0.00 0.21 0.00 0.00 66.02 64.83 1x48 s SER 75 CO 0.08 -0.18 1.09 -2.16 0.41 0.00 0.00 173.24 172.49 1x48 s PRO 76 N -0.70 0.53 0.38 12.44 0.04 -0.66 -4.49 135.00 142.54 1x48 s PRO 76 Ca 0.20 0.57 0.28 0.00 0.04 0.00 0.00 61.00 62.09 1x48 s PRO 76 Cb -0.17 -1.75 1.15 0.00 0.04 0.00 0.00 34.50 33.78 1x48 s PRO 76 CO -0.07 -2.67 1.83 -1.00 0.04 0.00 0.00 177.00 175.13 1x48 h PRO 77 N -1.85 0.00 -6.39 0.56 0.13 -1.97 -3.46 132.00 119.01 1x48 h PRO 77 Ca -0.54 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.14 1x48 h PRO 77 Cb 1.32 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.27 1x48 h PRO 77 CO 0.57 0.00 -0.69 0.36 -0.23 0.00 0.00 178.00 178.01 1x48 n LYS 78 N -2.57 -0.92 -4.26 0.86 2.85 -1.26 -4.88 118.16 107.98 1x48 n LYS 78 Ca 0.01 0.07 -0.34 0.00 -1.05 0.00 0.00 58.31 57.01 1x48 n LYS 78 Cb 0.25 -2.77 -0.09 0.00 -0.65 0.00 0.00 35.03 31.77 1x48 n LYS 78 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 1x48 s THR 79 N -3.67 4.45 -0.18 0.58 -1.32 -1.26 -5.02 115.64 109.22 1x48 s THR 79 Ca 0.14 -0.33 -0.04 0.00 -1.21 0.00 0.00 61.69 60.26 1x48 s THR 79 Cb -0.08 -2.93 -0.10 0.00 -1.51 0.00 0.00 72.50 67.88 1x48 s THR 79 CO 0.73 0.51 -0.19 0.00 -2.21 0.00 0.00 174.62 173.45 1x48 n ALA 80 N 1.77 1.72 0.00 11.08 0.00 -1.26 -5.04 120.51 128.78 1x48 n ALA 80 Ca -0.17 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.54 1x48 n ALA 80 Cb 0.53 0.18 0.00 0.00 0.00 0.00 0.00 19.45 20.16 1x48 n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x48 n GLY 81 N 2.28 2.25 4.52 0.00 0.00 -1.26 -4.81 105.19 108.17 1x48 n GLY 81 Ca -0.33 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 1x48 n GLY 81 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1x48 n THR 82 N 0.00 -0.03 -0.05 2.61 5.66 -1.26 -4.81 114.28 116.40 1x48 n THR 82 Ca 0.00 -0.02 -0.14 0.00 -3.05 0.00 0.00 64.05 60.84 1x48 n THR 82 Cb 0.00 -0.51 -0.12 0.00 -1.55 0.00 0.00 70.33 68.15 1x48 n THR 82 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 1x48 h SER 83 N -0.89 0.04 0.00 1.09 0.87 -2.06 -3.49 113.55 109.11 1x48 h SER 83 Ca -0.60 -0.87 0.00 0.00 -1.23 0.00 0.00 61.79 59.09 1x48 h SER 83 Cb 1.38 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 1x48 h SER 83 CO 0.89 0.91 0.00 0.61 -0.53 0.00 0.00 176.83 178.71 1x48 n GLY 84 N 1.28 1.39 3.73 5.77 0.00 -1.26 -5.03 105.19 111.07 1x48 n GLY 84 Ca -0.10 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 1x48 n GLY 84 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x48 s PRO 85 N 0.00 4.36 -0.19 1.61 0.04 -1.26 -5.03 135.00 134.54 1x48 s PRO 85 Ca 0.00 2.04 -0.19 0.00 0.04 0.00 0.00 61.00 62.89 1x48 s PRO 85 Cb 0.00 -3.23 0.05 0.00 0.04 0.00 0.00 34.50 31.36 1x48 s PRO 85 CO 0.00 -0.33 0.53 0.45 0.04 0.00 0.00 177.00 177.69 1x48 s SER 86 N 0.73 -0.55 -0.14 6.66 0.15 -1.26 -5.16 113.70 114.13 1x48 s SER 86 Ca 0.60 1.03 -0.06 0.00 0.70 0.00 0.00 55.95 58.22 1x48 s SER 86 Cb -0.36 1.04 -0.04 0.00 -1.71 0.00 0.00 66.02 64.95 1x48 s SER 86 CO 0.34 -0.22 0.08 -0.55 1.20 0.00 0.00 173.24 174.09 1x48 s SER 87 N 0.15 5.83 0.00 5.45 0.15 -1.26 -5.29 113.70 118.74 1x48 s SER 87 Ca -0.01 0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.88 1x48 s SER 87 Cb -0.04 -1.89 0.00 0.00 -1.71 0.00 0.00 66.02 62.39 1x48 s SER 87 CO 0.01 0.31 0.00 0.61 1.20 0.00 0.00 173.24 175.37