#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 -0.16 -0.35 1.61 1.04 -1.26 -5.04 113.70 109.54 1x48 s SER 2 Ca 0.00 -0.44 -0.04 0.00 0.48 0.00 0.00 55.95 55.95 1x48 s SER 2 Cb 0.00 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1x48 s SER 2 CO 0.00 -0.93 2.88 -1.54 0.98 0.00 0.00 173.24 174.63 1x48 n SER 3 N -0.53 6.21 0.00 7.02 3.41 -1.26 -4.73 113.62 123.74 1x48 n SER 3 Ca -0.06 -3.04 0.00 0.00 -0.26 0.00 0.00 58.87 55.51 1x48 n SER 3 Cb 0.61 -1.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.30 1x48 n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x48 n GLY 4 N 1.17 3.31 3.66 5.00 0.00 -1.26 -5.15 105.19 111.92 1x48 n GLY 4 Ca 0.46 -0.30 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1x48 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x48 s SER 5 N 0.00 2.81 -0.76 1.61 0.15 -1.26 -4.97 113.70 111.28 1x48 s SER 5 Ca 0.00 1.73 0.02 0.00 0.70 0.00 0.00 55.95 58.40 1x48 s SER 5 Cb 0.00 -2.35 0.34 0.00 -1.71 0.00 0.00 66.02 62.31 1x48 s SER 5 CO 0.00 -3.09 1.42 -1.54 1.20 0.00 0.00 173.24 171.23 1x48 n SER 6 N -4.20 5.95 -1.40 5.45 3.41 -1.26 -5.06 113.62 116.51 1x48 n SER 6 Ca 0.08 -3.71 0.18 0.00 -0.26 0.00 0.00 58.87 55.15 1x48 n SER 6 Cb 0.54 -0.83 -0.04 0.00 -0.26 0.00 0.00 64.21 63.61 1x48 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x48 n GLY 7 N -0.24 -1.81 0.09 5.00 0.00 -1.26 -4.37 105.19 102.59 1x48 n GLY 7 Ca 0.41 -1.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.19 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 -4.02 0.76 -0.23 1.61 4.02 -1.26 -3.93 117.16 114.11 1x48 n TYR 8 Ca 0.01 0.27 0.20 0.00 -0.01 0.00 0.00 57.90 58.37 1x48 n TYR 8 Cb 0.59 -1.14 0.37 0.00 -0.02 0.00 0.00 39.34 39.15 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 -3.00 -0.29 -0.05 -0.72 2.08 -1.26 0.13 119.36 116.24 1x48 n ILE 9 Ca -0.22 1.43 -0.12 0.00 0.56 0.00 0.00 62.75 64.41 1x48 n ILE 9 Cb 1.08 -2.29 -0.14 0.00 -0.75 0.00 0.00 39.64 37.54 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 -0.88 0.25 7.39 0.00 -1.26 -4.37 105.19 105.11 1x48 n GLY 10 Ca 0.25 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.19 1x48 n GLY 10 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x48 n LEU 11 N -3.03 -0.09 0.36 0.99 4.77 0.35 -0.04 117.00 120.31 1x48 n LEU 11 Ca -0.27 1.22 -0.15 0.00 -0.03 0.00 0.00 56.01 56.79 1x48 n LEU 11 Cb 1.08 -0.44 -0.07 0.00 -2.33 0.00 0.00 43.42 41.66 1x48 n LEU 11 CO 0.42 -1.24 0.38 0.58 -1.33 0.00 0.00 177.39 176.20 1x48 h VAL 12 N 0.00 0.00 -0.83 4.08 2.07 -1.74 0.25 116.25 120.09 1x48 h VAL 12 Ca 0.43 -0.29 0.34 0.00 0.82 0.00 0.00 66.70 68.00 1x48 h VAL 12 Cb 0.89 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.52 1x48 h VAL 12 CO -0.68 0.00 0.46 0.59 0.02 0.00 0.00 177.57 177.96 1x48 n ASN 13 N -5.38 0.26 0.03 0.57 3.02 0.94 0.12 115.26 114.82 1x48 n ASN 13 Ca -0.12 1.27 -0.22 0.00 -0.03 0.00 0.00 54.58 55.48 1x48 n ASN 13 Cb 0.38 -0.62 -0.14 0.00 -0.61 0.00 0.00 39.78 38.78 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 0.48 -1.00 6.41 0.02 -1.30 -3.34 113.55 114.81 1x48 h SER 14 Ca 0.67 -0.91 0.22 0.00 -0.84 0.00 0.00 61.79 60.93 1x48 h SER 14 Cb 1.83 -0.16 -0.11 0.00 0.14 0.00 0.00 62.40 64.10 1x48 h SER 14 CO -0.57 1.77 0.61 0.15 -1.14 0.00 0.00 176.83 177.65 1x48 h PHE 15 N -0.04 0.97 0.04 3.45 3.04 0.45 -1.03 116.94 123.82 1x48 h PHE 15 Ca -0.36 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 61.62 1x48 h PHE 15 Cb 1.98 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 40.20 1x48 h PHE 15 CO 0.10 0.15 -0.02 0.00 -2.02 0.00 0.00 178.31 176.51 1x48 h ALA 16 N 1.67 -0.85 -0.86 2.41 0.00 -1.15 -1.33 119.26 119.14 1x48 h ALA 16 Ca 0.60 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.66 1x48 h ALA 16 Cb 1.12 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.77 1x48 h ALA 16 CO -0.39 -0.85 -0.25 0.37 0.00 0.00 0.00 179.25 178.14 1x48 h GLN 17 N -0.07 -0.01 -0.90 0.00 5.75 -1.61 0.86 115.11 119.13 1x48 h GLN 17 Ca -0.01 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.58 1x48 h GLN 17 Cb 0.04 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.54 1x48 h GLN 17 CO 0.01 -0.01 0.58 0.87 -2.65 0.00 0.00 178.83 177.63 1x48 h LYS 18 N -0.01 0.93 -0.69 1.69 6.56 -1.23 0.66 116.57 124.47 1x48 h LYS 18 Ca 0.40 -0.06 -0.02 0.00 -1.06 0.00 0.00 60.65 59.92 1x48 h LYS 18 Cb 0.63 -0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 32.07 1x48 h LYS 18 CO -0.89 0.61 0.02 1.63 -2.06 0.00 0.00 179.45 178.76 1x48 n LYS 19 N -4.51 3.91 -4.37 3.15 4.01 0.27 -4.90 118.16 115.72 1x48 n LYS 19 Ca 0.14 -2.40 -0.39 0.00 -0.51 0.00 0.00 58.31 55.15 1x48 n LYS 19 Cb 0.25 -2.08 -0.05 0.00 -0.51 0.00 0.00 35.03 32.64 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 0.43 -2.05 -3.18 1.97 2.85 0.55 -4.92 118.16 113.81 1x48 n LYS 20 Ca 0.22 0.26 -0.20 0.00 -1.05 0.00 0.00 58.31 57.55 1x48 n LYS 20 Cb 0.99 -4.90 0.03 0.00 -0.65 0.00 0.00 35.03 30.51 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 -7.26 3.21 -0.17 -5.58 1.43 -0.28 -4.98 118.68 105.06 1x48 s LEU 21 Ca 0.76 -0.79 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 1x48 s LEU 21 Cb -0.43 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 43.95 1x48 s LEU 21 CO 0.97 -1.11 -0.18 -0.44 0.23 0.00 0.00 176.35 175.82 1x48 s SER 22 N -4.50 2.96 -0.08 2.29 0.01 -1.26 -4.38 113.70 108.74 1x48 s SER 22 Ca 0.56 -0.59 -0.04 0.00 1.31 0.00 0.00 55.95 57.19 1x48 s SER 22 Cb -0.06 -1.37 -0.04 0.00 0.21 0.00 0.00 66.02 64.77 1x48 s SER 22 CO 0.34 -0.02 0.08 0.54 0.41 0.00 0.00 173.24 174.59 1x48 s VAL 23 N 1.33 4.90 0.01 3.43 0.11 -1.26 -2.13 120.40 126.80 1x48 s VAL 23 Ca 0.04 -0.09 0.04 0.00 -2.93 0.00 0.00 61.98 59.04 1x48 s VAL 23 Cb -0.13 -3.13 -0.01 0.00 -1.53 0.00 0.00 36.38 31.57 1x48 s VAL 23 CO -0.12 0.56 -0.12 0.21 -3.33 0.00 0.00 175.10 172.30 1x48 s ASN 24 N -1.13 1.44 -0.34 3.54 2.47 0.76 -4.99 114.94 116.70 1x48 s ASN 24 Ca 0.16 -0.30 0.03 0.00 0.42 0.00 0.00 52.86 53.17 1x48 s ASN 24 Cb -0.12 -0.13 0.10 0.00 -1.45 0.00 0.00 41.25 39.65 1x48 s ASN 24 CO 0.06 0.10 0.08 -0.31 -3.72 0.00 0.00 177.10 173.30 1x48 s TYR 25 N -0.49 3.07 -0.06 0.43 1.51 -1.25 -0.34 117.35 120.22 1x48 s TYR 25 Ca 0.03 -2.62 -0.16 0.00 -1.01 0.00 0.00 57.07 53.31 1x48 s TYR 25 Cb -0.06 -2.53 -0.05 0.00 -0.11 0.00 0.00 41.96 39.21 1x48 s TYR 25 CO 0.00 -0.91 0.42 -1.21 -1.11 0.00 0.00 175.55 172.73 1x48 s GLU 26 N 1.03 4.11 -0.32 -0.62 0.41 0.10 -4.84 118.70 118.57 1x48 s GLU 26 Ca 0.11 0.38 0.02 0.00 -0.41 0.00 0.00 54.97 55.08 1x48 s GLU 26 Cb -0.19 -3.32 0.09 0.00 -1.78 0.00 0.00 34.13 28.92 1x48 s GLU 26 CO -0.12 0.44 0.02 -1.14 -0.49 0.00 0.00 175.26 173.96 1x48 s GLN 27 N -0.27 1.84 0.44 1.61 -0.44 -1.26 -0.06 119.66 121.53 1x48 s GLN 27 Ca 0.23 -1.67 0.01 0.00 -2.50 0.00 0.00 55.36 51.44 1x48 s GLN 27 Cb -0.16 -3.16 -0.00 0.00 -1.64 0.00 0.00 33.01 28.05 1x48 s GLN 27 CO 0.11 -0.82 0.03 0.00 0.50 0.00 0.00 175.29 175.11 1x48 s GLU 29 N -3.61 1.76 0.31 0.00 -1.05 -1.26 -4.02 118.70 110.83 1x48 s GLU 29 Ca 0.04 -1.06 -0.29 0.00 -0.15 0.00 0.00 54.97 53.51 1x48 s GLU 29 Cb 0.00 -1.90 -0.10 0.00 -0.44 0.00 0.00 34.13 31.69 1x48 s GLU 29 CO 0.03 0.50 1.23 -1.25 0.95 0.00 0.00 175.26 176.71 1x48 s PRO 30 N -1.14 4.46 0.05 -4.83 0.04 -1.26 -4.94 135.00 127.37 1x48 s PRO 30 Ca 0.11 2.06 -0.11 0.00 0.04 0.00 0.00 61.00 63.10 1x48 s PRO 30 Cb -0.10 -3.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.31 1x48 s PRO 30 CO 0.02 -0.04 0.96 0.09 0.04 0.00 0.00 177.00 178.07 1x48 n ASN 31 N 0.93 -0.36 -4.44 6.66 4.13 -1.26 -4.29 115.26 116.63 1x48 n ASN 31 Ca -0.00 1.04 -0.60 0.00 1.68 0.00 0.00 54.58 56.70 1x48 n ASN 31 Cb 0.43 -0.30 -0.10 0.00 -1.54 0.00 0.00 39.78 38.27 1x48 n ASN 31 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1x48 n SER 32 N -3.74 1.23 -0.05 6.41 7.64 -1.26 -4.83 113.62 119.03 1x48 n SER 32 Ca 0.01 0.79 -0.02 0.00 1.01 0.00 0.00 58.87 60.66 1x48 n SER 32 Cb 0.09 -0.98 -0.01 0.00 -1.01 0.00 0.00 64.21 62.30 1x48 n SER 32 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1x48 h GLU 33 N 8.47 -0.02 -6.35 1.43 3.07 -2.01 -3.42 114.58 115.75 1x48 h GLU 33 Ca -0.24 0.00 -0.60 0.00 -0.50 0.00 0.00 59.36 58.02 1x48 h GLU 33 Cb 1.38 0.01 -0.12 0.00 -0.84 0.00 0.00 28.75 29.18 1x48 h GLU 33 CO 1.04 -0.02 -0.68 -0.51 -1.40 0.00 0.00 179.01 177.45 1x48 s LEU 34 N -6.46 3.16 1.08 1.33 2.01 -1.26 -4.23 118.68 114.31 1x48 s LEU 34 Ca -0.02 -0.52 -0.15 0.00 0.01 0.00 0.00 54.13 53.45 1x48 s LEU 34 Cb 0.01 -1.79 0.23 0.00 0.01 0.00 0.00 46.19 44.65 1x48 s LEU 34 CO 0.09 0.07 1.10 -2.16 1.01 0.00 0.00 176.35 176.46 1x48 s PRO 35 N -3.07 -0.23 -0.39 1.29 0.04 -1.26 -5.12 135.00 126.25 1x48 s PRO 35 Ca 0.27 0.30 -0.02 0.00 0.04 0.00 0.00 61.00 61.59 1x48 s PRO 35 Cb -0.08 -1.68 0.10 0.00 0.04 0.00 0.00 34.50 32.88 1x48 s PRO 35 CO 0.18 -3.13 0.17 -0.65 0.04 0.00 0.00 177.00 173.61 1x48 s GLN 36 N -5.11 1.96 0.39 4.56 -0.21 -1.26 -4.99 119.66 114.99 1x48 s GLN 36 Ca 0.67 -1.79 0.06 0.00 0.02 0.00 0.00 55.36 54.32 1x48 s GLN 36 Cb -0.16 -3.50 -0.07 0.00 1.00 0.00 0.00 33.01 30.28 1x48 s GLN 36 CO 0.57 -1.02 0.02 -0.98 -2.12 0.00 0.00 175.29 171.76 1x48 s ARG 37 N 1.11 1.90 0.01 2.91 3.03 -1.26 -5.07 118.95 121.58 1x48 s ARG 37 Ca 0.08 -2.08 -0.23 0.00 2.03 0.00 0.00 55.73 55.53 1x48 s ARG 37 Cb -0.22 -1.44 -0.05 0.00 -1.03 0.00 0.00 34.95 32.21 1x48 s ARG 37 CO -0.05 -0.10 0.70 -0.06 -1.13 0.00 0.00 175.30 174.67 1x48 s PHE 38 N -2.86 3.69 -0.06 5.89 0.40 0.07 -4.91 117.98 120.20 1x48 s PHE 38 Ca 0.34 1.35 0.02 0.00 -0.60 0.00 0.00 56.93 58.04 1x48 s PHE 38 Cb 0.09 -2.75 0.02 0.00 0.51 0.00 0.00 43.02 40.89 1x48 s PHE 38 CO 0.17 0.26 -0.11 0.42 0.70 0.00 0.00 175.22 176.66 1x48 s ILE 39 N 0.06 1.02 0.11 0.64 -1.09 -1.26 -1.07 121.20 119.62 1x48 s ILE 39 Ca 0.36 -0.41 0.10 0.00 -2.23 0.00 0.00 60.65 58.47 1x48 s ILE 39 Cb -0.19 -0.95 -0.04 0.00 -1.58 0.00 0.00 42.46 39.70 1x48 s ILE 39 CO 0.20 0.33 -0.25 0.00 -1.23 0.00 0.00 174.94 173.99 1x48 s LYS 41 N -1.89 0.66 -0.47 0.00 3.01 0.91 0.23 119.74 122.19 1x48 s LYS 41 Ca 0.12 -0.03 -0.18 0.00 -1.01 0.00 0.00 55.97 54.87 1x48 s LYS 41 Cb -0.10 -1.27 0.05 0.00 -1.01 0.00 0.00 37.83 35.50 1x48 s LYS 41 CO 0.05 -0.38 0.53 0.00 0.51 0.00 0.00 175.35 176.06 1x48 s LYS 43 N 2.34 2.74 -0.36 0.00 1.02 0.54 -2.36 119.74 123.67 1x48 s LYS 43 Ca 0.13 -0.55 -0.03 0.00 0.02 0.00 0.00 55.97 55.54 1x48 s LYS 43 Cb -0.19 -2.59 0.08 0.00 -0.52 0.00 0.00 37.83 34.61 1x48 s LYS 43 CO 0.12 0.66 0.12 0.42 -0.92 0.00 0.00 175.35 175.75 1x48 s ILE 44 N -0.83 3.19 -0.79 2.17 -1.09 0.14 -0.17 121.20 123.82 1x48 s ILE 44 Ca 0.13 -1.77 -0.00 0.00 -2.23 0.00 0.00 60.65 56.78 1x48 s ILE 44 Cb -0.11 -3.04 -0.00 0.00 -1.58 0.00 0.00 42.46 37.72 1x48 s ILE 44 CO 0.02 -0.45 0.66 0.61 -1.23 0.00 0.00 174.94 174.55 1x48 n GLY 45 N 4.61 -0.11 2.45 6.18 0.00 -0.90 -2.74 105.19 114.67 1x48 n GLY 45 Ca -0.06 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.69 1x48 n GLY 45 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x48 n GLN 46 N -3.04 -1.44 -4.93 1.61 6.02 -1.26 -4.98 117.38 109.37 1x48 n GLN 46 Ca -0.18 1.05 -0.28 0.00 -0.01 0.00 0.00 57.00 57.57 1x48 n GLN 46 Cb 0.61 -5.49 -0.17 0.00 1.02 0.00 0.00 30.24 26.21 1x48 n GLN 46 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1x48 s THR 47 N -2.84 1.60 -0.10 5.09 2.01 -1.11 -5.10 115.64 115.18 1x48 s THR 47 Ca 0.00 -0.78 -0.29 0.00 0.31 0.00 0.00 61.69 60.93 1x48 s THR 47 Cb 0.00 -1.39 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 1x48 s THR 47 CO 0.00 0.46 1.46 -0.32 -0.69 0.00 0.00 174.62 175.53 1x48 s MET 48 N 0.28 4.21 0.02 4.92 1.75 -1.26 -0.68 119.30 128.53 1x48 s MET 48 Ca -0.11 1.93 -0.04 0.00 -1.25 0.00 0.00 55.69 56.22 1x48 s MET 48 Cb -0.15 -3.87 -0.01 0.00 2.84 0.00 0.00 34.83 33.64 1x48 s MET 48 CO 0.05 -0.77 -0.09 0.66 -0.65 0.00 0.00 175.02 174.22 1x48 n TYR 49 N 6.83 0.00 -3.86 4.11 4.02 -1.18 -4.93 117.16 122.14 1x48 n TYR 49 Ca 0.16 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.93 1x48 n TYR 49 Cb 0.44 -0.12 -0.13 0.00 -0.02 0.00 0.00 39.34 39.51 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 -4.11 -0.01 -0.21 2.72 0.00 -0.99 -4.21 107.32 100.50 1x48 s GLY 50 Ca -0.07 0.07 0.02 0.00 0.00 0.00 0.00 44.72 44.74 1x48 s GLY 50 CO 0.11 0.03 -0.16 -1.59 0.00 0.00 0.00 173.10 171.49 1x48 s THR 51 N -0.27 2.03 0.00 0.90 2.01 -1.26 -0.31 115.64 118.74 1x48 s THR 51 Ca -0.03 -1.17 -0.05 0.00 0.31 0.00 0.00 61.69 60.75 1x48 s THR 51 Cb -0.02 -1.97 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 1x48 s THR 51 CO 0.00 0.30 0.23 -0.83 -0.69 0.00 0.00 174.62 173.63 1x48 s GLY 52 N 1.25 2.21 -0.01 4.40 0.00 0.13 -4.58 107.32 110.73 1x48 s GLY 52 Ca -0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 44.72 44.04 1x48 s GLY 52 CO -0.10 -0.51 0.03 -1.35 0.00 0.00 0.00 173.10 171.17 1x48 s SER 53 N -1.82 0.01 0.00 1.64 1.04 -1.26 0.03 113.70 113.34 1x48 s SER 53 Ca 0.28 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.67 1x48 s SER 53 Cb -0.13 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.07 1x48 s SER 53 CO 0.17 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.93 1x48 n GLY 54 N 2.74 0.90 0.08 7.32 0.00 -0.23 -4.44 105.19 111.55 1x48 n GLY 54 Ca -0.15 -0.82 0.06 0.00 0.00 0.00 0.00 46.02 45.12 1x48 n GLY 54 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1x48 n VAL 55 N 0.00 0.65 -4.90 1.61 0.24 -1.26 -0.75 118.33 113.91 1x48 n VAL 55 Ca 0.00 -0.60 -0.26 0.00 -2.04 0.00 0.00 64.34 61.44 1x48 n VAL 55 Cb 0.00 -0.35 -0.16 0.00 -1.47 0.00 0.00 33.84 31.86 1x48 n VAL 55 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1x48 s THR 56 N -3.22 1.50 0.15 3.34 2.01 -1.26 -4.19 115.64 113.97 1x48 s THR 56 Ca -0.04 -0.79 -0.23 0.00 0.31 0.00 0.00 61.69 60.94 1x48 s THR 56 Cb 0.10 -1.26 0.01 0.00 0.01 0.00 0.00 72.50 71.36 1x48 s THR 56 CO 0.84 0.43 1.29 0.29 -0.69 0.00 0.00 174.62 176.77 1x48 n LYS 57 N 2.82 -0.32 -0.21 4.92 5.02 -1.26 -0.74 118.16 128.39 1x48 n LYS 57 Ca -0.16 1.27 -0.08 0.00 -2.02 0.00 0.00 58.31 57.31 1x48 n LYS 57 Cb 0.53 -1.87 -0.07 0.00 -0.02 0.00 0.00 35.03 33.60 1x48 n LYS 57 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1x48 h GLN 58 N 0.00 -0.11 -0.85 1.97 4.15 -1.96 0.43 115.11 118.74 1x48 h GLN 58 Ca 0.17 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.68 1x48 h GLN 58 Cb 0.38 0.02 -0.10 0.00 0.21 0.00 0.00 27.48 28.00 1x48 h GLN 58 CO -0.80 -0.07 -0.50 -1.91 -1.93 0.00 0.00 178.83 173.62 1x48 n GLU 59 N -4.56 -0.38 0.10 1.69 2.13 0.08 0.91 120.64 120.61 1x48 n GLU 59 Ca -0.00 1.38 -0.04 0.00 0.66 0.00 0.00 57.16 59.15 1x48 n GLU 59 Cb 0.20 -2.02 -0.02 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 h ALA 60 N 0.34 -1.01 -0.62 4.31 0.00 -1.00 -0.29 119.26 120.99 1x48 h ALA 60 Ca 0.14 -0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.17 1x48 h ALA 60 Cb 0.35 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1x48 h ALA 60 CO -0.80 -0.99 1.01 -0.22 0.00 0.00 0.00 179.25 178.24 1x48 h LYS 61 N -0.27 0.00 0.00 0.00 1.63 0.22 0.13 116.57 118.27 1x48 h LYS 61 Ca -0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1x48 h LYS 61 Cb 0.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.83 1x48 h LYS 61 CO 0.04 0.00 0.00 1.04 -3.45 0.00 0.00 179.45 177.08 1x48 n GLN 62 N -3.09 0.00 -0.25 1.90 1.13 0.26 -4.32 117.38 113.01 1x48 n GLN 62 Ca 0.14 0.41 0.05 0.00 -1.94 0.00 0.00 57.00 55.66 1x48 n GLN 62 Cb 1.20 -0.91 0.17 0.00 0.11 0.00 0.00 30.24 30.82 1x48 n GLN 62 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1x48 h LEU 63 N 0.00 -0.17 -1.61 1.08 3.38 -0.09 0.10 115.31 118.00 1x48 h LEU 63 Ca 0.00 0.17 0.47 0.00 0.09 0.00 0.00 57.88 58.61 1x48 h LEU 63 Cb 0.00 0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 1x48 h LEU 63 CO 0.00 -0.12 1.16 0.00 0.09 0.00 0.00 178.44 179.57 1x48 n ALA 64 N -2.80 1.54 -0.05 1.53 0.00 0.35 0.16 120.51 121.24 1x48 n ALA 64 Ca 0.14 0.53 -0.18 0.00 0.00 0.00 0.00 53.44 53.93 1x48 n ALA 64 Cb 0.47 -0.93 -0.13 0.00 0.00 0.00 0.00 19.45 18.87 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 0.81 0.08 -0.87 0.00 0.00 -0.98 -3.15 119.26 115.16 1x48 h ALA 65 Ca 0.77 -0.80 0.30 0.00 0.00 0.00 0.00 54.91 55.17 1x48 h ALA 65 Cb 3.07 0.28 -0.16 0.00 0.00 0.00 0.00 17.79 20.98 1x48 h ALA 65 CO -0.01 0.37 0.24 1.17 0.00 0.00 0.00 179.25 181.02 1x48 n LYS 66 N -4.39 -0.06 -0.01 0.00 4.81 0.41 0.60 118.16 119.52 1x48 n LYS 66 Ca -0.19 1.25 -0.16 0.00 -0.87 0.00 0.00 58.31 58.34 1x48 n LYS 66 Cb 0.65 -2.11 -0.12 0.00 0.02 0.00 0.00 35.03 33.47 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 0.21 -0.39 1.64 4.39 -1.66 -3.31 114.58 115.46 1x48 h GLU 67 Ca 0.63 -0.26 0.08 0.00 0.34 0.00 0.00 59.36 60.15 1x48 h GLU 67 Cb 1.52 0.08 -0.09 0.00 -0.10 0.00 0.00 28.75 30.16 1x48 h GLU 67 CO -0.74 1.02 -0.25 0.00 -1.16 0.00 0.00 179.01 177.88 1x48 h ALA 68 N 0.20 -0.02 -0.84 3.43 0.00 0.21 -0.53 119.26 121.72 1x48 h ALA 68 Ca -0.05 0.13 0.21 0.00 0.00 0.00 0.00 54.91 55.19 1x48 h ALA 68 Cb 1.18 0.57 -0.13 0.00 0.00 0.00 0.00 17.79 19.41 1x48 h ALA 68 CO 0.07 -0.63 0.21 -0.92 0.00 0.00 0.00 179.25 177.98 1x48 h TYR 69 N -0.19 0.31 -0.52 0.00 3.20 -1.00 0.17 116.97 118.95 1x48 h TYR 69 Ca 0.19 0.05 -0.02 0.00 3.14 0.00 0.00 58.73 62.08 1x48 h TYR 69 Cb 0.48 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 1x48 h TYR 69 CO -0.48 -0.17 0.23 1.96 -1.64 0.00 0.00 178.16 178.06 1x48 h GLN 70 N 0.23 0.76 -0.95 1.82 4.20 -1.21 -2.38 115.11 117.58 1x48 h GLN 70 Ca 0.51 -0.12 0.24 0.00 0.06 0.00 0.00 58.65 59.33 1x48 h GLN 70 Cb 0.97 -0.13 -0.07 0.00 0.30 0.00 0.00 27.48 28.55 1x48 h GLN 70 CO -0.61 0.65 0.64 -0.22 -0.67 0.00 0.00 178.83 178.61 1x48 h LYS 71 N 0.69 0.29 0.04 1.46 1.63 0.10 -1.21 116.57 119.56 1x48 h LYS 71 Ca 0.18 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.96 1x48 h LYS 71 Cb 0.16 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1x48 h LYS 71 CO -0.02 0.19 -0.02 -0.07 -3.45 0.00 0.00 179.45 176.09 1x48 h LEU 72 N 0.30 -0.04 -1.97 5.20 3.38 -1.07 -1.92 115.31 119.19 1x48 h LEU 72 Ca 0.49 -0.61 0.23 0.00 0.09 0.00 0.00 57.88 58.08 1x48 h LEU 72 Cb 1.42 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.14 1x48 h LEU 72 CO -0.16 0.63 0.61 -0.07 0.09 0.00 0.00 178.44 179.54 1x48 h LEU 73 N -0.74 0.00 0.00 1.67 3.38 -0.95 -1.32 115.31 117.34 1x48 h LEU 73 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1x48 h LEU 73 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1x48 h LEU 73 CO 0.01 0.00 -0.09 0.11 0.09 0.00 0.00 178.44 178.56 1x48 h LYS 74 N 0.00 0.00 -3.01 1.13 1.57 -1.34 -3.44 116.57 111.48 1x48 h LYS 74 Ca 0.37 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.54 1x48 h LYS 74 Cb 1.59 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.50 1x48 h LYS 74 CO -0.00 0.00 -0.70 0.45 -0.57 0.00 0.00 179.45 178.62 1x48 s SER 75 N -5.01 3.81 0.98 0.86 0.15 -0.73 -5.12 113.70 108.65 1x48 s SER 75 Ca -0.03 -3.07 -0.12 0.00 0.70 0.00 0.00 55.95 53.43 1x48 s SER 75 Cb 0.00 -1.24 0.18 0.00 -1.71 0.00 0.00 66.02 63.26 1x48 s SER 75 CO 0.04 -0.20 1.09 -2.16 1.20 0.00 0.00 173.24 173.21 1x48 s PRO 76 N -0.28 0.55 1.14 5.44 0.04 -0.53 -4.59 135.00 136.77 1x48 s PRO 76 Ca 0.21 0.56 -0.17 0.00 0.04 0.00 0.00 61.00 61.65 1x48 s PRO 76 Cb -0.16 -1.75 0.25 0.00 0.04 0.00 0.00 34.50 32.89 1x48 s PRO 76 CO -0.07 -2.66 1.10 -1.25 0.04 0.00 0.00 177.00 174.17 1x48 s PRO 77 N -4.96 -0.68 0.30 0.56 0.04 -1.26 -5.08 135.00 123.91 1x48 s PRO 77 Ca 0.65 0.13 0.11 0.00 0.04 0.00 0.00 61.00 61.92 1x48 s PRO 77 Cb -0.18 -1.64 -0.05 0.00 0.04 0.00 0.00 34.50 32.66 1x48 s PRO 77 CO 0.57 -3.39 -0.10 -1.59 0.04 0.00 0.00 177.00 172.53 1x48 s LYS 78 N -5.25 1.89 -0.00 4.56 -2.85 -1.26 -5.09 119.74 111.74 1x48 s LYS 78 Ca 0.69 -1.73 -0.30 0.00 -1.00 0.00 0.00 55.97 53.62 1x48 s LYS 78 Cb -0.13 -1.86 -0.06 0.00 -2.06 0.00 0.00 37.83 33.72 1x48 s LYS 78 CO 0.57 0.26 1.56 -0.08 0.10 0.00 0.00 175.35 177.76 1x48 s THR 79 N -2.50 3.48 -0.29 3.79 -1.32 -1.26 -4.98 115.64 112.56 1x48 s THR 79 Ca 0.32 0.79 -0.14 0.00 -1.21 0.00 0.00 61.69 61.44 1x48 s THR 79 Cb -0.03 -3.51 0.11 0.00 -1.51 0.00 0.00 72.50 67.56 1x48 s THR 79 CO 0.17 -0.03 0.73 0.00 -2.21 0.00 0.00 174.62 173.28 1x48 s ALA 80 N 3.08 -2.02 0.00 11.08 0.00 -1.26 -5.15 121.76 127.49 1x48 s ALA 80 Ca 0.70 2.36 0.00 0.00 0.00 0.00 0.00 51.96 55.02 1x48 s ALA 80 Cb -0.34 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.19 1x48 s ALA 80 CO 0.29 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1x48 n GLY 81 N 4.57 0.79 0.61 0.00 0.00 -1.26 -5.08 105.19 104.82 1x48 n GLY 81 Ca -0.17 0.60 -0.09 0.00 0.00 0.00 0.00 46.02 46.36 1x48 n GLY 81 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x48 n THR 82 N 0.00 0.47 -4.63 2.61 -1.04 -1.26 -5.09 114.28 105.35 1x48 n THR 82 Ca 0.00 -0.13 -0.31 0.00 -2.04 0.00 0.00 64.05 61.57 1x48 n THR 82 Cb 0.00 -1.47 -0.07 0.00 -1.82 0.00 0.00 70.33 66.97 1x48 n THR 82 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1x48 s SER 83 N -5.60 4.16 -0.61 8.00 0.01 -1.26 -5.10 113.70 113.30 1x48 s SER 83 Ca -0.12 -1.55 0.06 0.00 1.31 0.00 0.00 55.95 55.65 1x48 s SER 83 Cb 0.04 0.35 0.22 0.00 0.21 0.00 0.00 66.02 66.85 1x48 s SER 83 CO 0.16 -0.82 0.63 0.61 0.41 0.00 0.00 173.24 174.23 1x48 n GLY 84 N -1.28 4.22 0.19 3.44 0.00 -1.26 -4.90 105.19 105.61 1x48 n GLY 84 Ca -0.15 -2.49 -0.04 0.00 0.00 0.00 0.00 46.02 43.34 1x48 n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x48 h PRO 85 N 4.54 0.29 -5.78 1.61 0.13 -2.01 -3.44 132.00 127.33 1x48 h PRO 85 Ca 0.17 -0.15 -0.70 0.00 -0.87 0.00 0.00 66.00 64.45 1x48 h PRO 85 Cb 0.73 0.01 -0.05 0.00 0.13 0.00 0.00 31.00 31.81 1x48 h PRO 85 CO 0.73 0.69 1.42 0.45 -0.23 0.00 0.00 178.00 181.07 1x48 n SER 86 N -3.99 0.78 -4.58 1.44 2.88 -1.26 -4.76 113.62 104.12 1x48 n SER 86 Ca -0.02 0.54 -0.48 0.00 -1.33 0.00 0.00 58.87 57.58 1x48 n SER 86 Cb 0.52 -0.94 -0.03 0.00 -0.75 0.00 0.00 64.21 63.00 1x48 n SER 86 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x48 n SER 87 N 8.42 1.35 0.00 -3.46 7.64 -1.26 -5.28 113.62 121.02 1x48 n SER 87 Ca 0.56 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.59 1x48 n SER 87 Cb 0.00 -1.24 0.00 0.00 -1.01 0.00 0.00 64.21 61.97 1x48 n SER 87 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64