#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 4.26 0.18 1.61 1.04 -1.26 -4.98 113.70 114.56 1x48 s SER 2 Ca 0.00 -3.00 -0.20 0.00 0.48 0.00 0.00 55.95 53.23 1x48 s SER 2 Cb 0.00 -1.59 0.11 0.00 0.10 0.00 0.00 66.02 64.64 1x48 s SER 2 CO 0.00 -0.23 1.61 -1.28 0.98 0.00 0.00 173.24 174.32 1x48 h SER 3 N 6.49 -0.87 0.00 7.02 0.87 -2.13 -3.45 113.55 121.47 1x48 h SER 3 Ca -0.07 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1x48 h SER 3 Cb 0.89 0.45 0.00 0.00 -0.44 0.00 0.00 62.40 63.30 1x48 h SER 3 CO 0.67 -0.27 0.00 0.61 -0.53 0.00 0.00 176.83 177.31 1x48 n GLY 4 N -1.41 1.76 3.91 5.77 0.00 -1.26 -4.97 105.19 108.99 1x48 n GLY 4 Ca 0.03 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 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 6.43 0.01 1.61 0.15 -1.26 -5.11 113.70 115.53 1x48 s SER 5 Ca 0.00 0.59 -0.13 0.00 0.70 0.00 0.00 55.95 57.11 1x48 s SER 5 Cb 0.00 -2.09 0.02 0.00 -1.71 0.00 0.00 66.02 62.24 1x48 s SER 5 CO 0.00 -0.12 0.28 -0.94 1.20 0.00 0.00 173.24 173.65 1x48 s SER 6 N -3.11 -0.12 -1.13 5.45 1.04 -1.26 -5.07 113.70 109.50 1x48 s SER 6 Ca 0.42 -0.10 -0.24 0.00 0.48 0.00 0.00 55.95 56.51 1x48 s SER 6 Cb -0.11 0.31 -0.12 0.00 0.10 0.00 0.00 66.02 66.20 1x48 s SER 6 CO 0.29 -0.51 2.00 -0.83 0.98 0.00 0.00 173.24 175.16 1x48 s GLY 7 N -1.69 -0.20 0.56 7.32 0.00 -1.26 -4.74 107.32 107.31 1x48 s GLY 7 Ca -0.10 -1.90 0.43 0.00 0.00 0.00 0.00 44.72 43.15 1x48 s GLY 7 CO 0.00 3.77 1.46 -1.72 0.00 0.00 0.00 173.10 176.61 1x48 n TYR 8 N 15.89 0.00 -0.20 1.90 4.02 -1.26 -1.37 117.16 136.14 1x48 n TYR 8 Ca 0.44 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 58.47 1x48 n TYR 8 Cb 0.47 -0.42 0.27 0.00 -0.02 0.00 0.00 39.34 39.64 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 -3.70 -0.25 -0.05 -0.72 2.08 -1.26 0.17 119.36 115.63 1x48 n ILE 9 Ca 0.38 1.25 -0.11 0.00 0.56 0.00 0.00 62.75 64.82 1x48 n ILE 9 Cb 1.86 -1.93 -0.14 0.00 -0.75 0.00 0.00 39.64 38.67 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 -1.22 -0.90 0.34 7.39 0.00 -0.47 -4.39 105.19 105.95 1x48 n GLY 10 Ca 0.19 -0.17 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.02 -0.83 0.21 0.99 4.77 0.44 -1.04 117.00 118.51 1x48 n LEU 11 Ca -0.26 1.46 -0.14 0.00 -0.03 0.00 0.00 56.01 57.04 1x48 n LEU 11 Cb 1.08 -0.20 -0.08 0.00 -2.33 0.00 0.00 43.42 41.89 1x48 n LEU 11 CO 0.43 -1.20 0.52 0.58 -1.33 0.00 0.00 177.39 176.39 1x48 h VAL 12 N 0.00 0.00 -0.38 4.08 2.07 -1.75 0.31 116.25 120.58 1x48 h VAL 12 Ca 0.15 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.70 1x48 h VAL 12 Cb 0.35 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.08 1x48 h VAL 12 CO -0.78 0.00 -0.23 0.59 0.02 0.00 0.00 177.57 177.18 1x48 n ASN 13 N -4.86 -0.41 -0.21 0.57 3.02 -0.21 0.51 115.26 113.67 1x48 n ASN 13 Ca -0.09 1.00 -0.07 0.00 -0.03 0.00 0.00 54.58 55.39 1x48 n ASN 13 Cb 0.36 -0.25 0.03 0.00 -0.61 0.00 0.00 39.78 39.32 1x48 n ASN 13 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1x48 h SER 14 N 0.00 0.75 -0.63 6.41 4.64 -1.25 -2.85 113.55 120.62 1x48 h SER 14 Ca 0.06 -0.11 0.13 0.00 -0.47 0.00 0.00 61.79 61.40 1x48 h SER 14 Cb 0.16 -0.19 -0.11 0.00 -0.31 0.00 0.00 62.40 61.95 1x48 h SER 14 CO -0.36 0.65 0.01 0.15 -0.87 0.00 0.00 176.83 176.41 1x48 h PHE 15 N 0.80 -0.03 0.08 4.77 3.04 0.40 -0.07 116.94 125.92 1x48 h PHE 15 Ca 0.20 0.05 -0.00 0.00 3.98 0.00 0.00 57.97 62.20 1x48 h PHE 15 Cb 0.08 0.11 -0.01 0.00 2.56 0.00 0.00 35.95 38.70 1x48 h PHE 15 CO -0.01 -0.17 -0.13 0.00 -2.02 0.00 0.00 178.31 175.99 1x48 h ALA 16 N 1.58 -0.76 -0.50 2.41 0.00 -0.26 0.32 119.26 122.05 1x48 h ALA 16 Ca 0.33 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.30 1x48 h ALA 16 Cb 0.54 0.45 -0.10 0.00 0.00 0.00 0.00 17.79 18.68 1x48 h ALA 16 CO -0.54 -0.78 -0.32 0.37 0.00 0.00 0.00 179.25 177.98 1x48 h GLN 17 N -0.22 -0.19 -0.88 0.00 4.15 -1.46 0.36 115.11 116.87 1x48 h GLN 17 Ca -0.01 0.01 0.12 0.00 0.77 0.00 0.00 58.65 59.55 1x48 h GLN 17 Cb 0.20 0.04 -0.09 0.00 0.21 0.00 0.00 27.48 27.85 1x48 h GLN 17 CO -0.04 -0.13 0.50 0.87 -1.93 0.00 0.00 178.83 178.11 1x48 h LYS 18 N -0.20 0.75 -0.68 1.69 1.57 -0.87 0.28 116.57 119.11 1x48 h LYS 18 Ca 0.21 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1x48 h LYS 18 Cb 0.54 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1x48 h LYS 18 CO -0.61 0.50 0.00 1.63 -0.57 0.00 0.00 179.45 180.40 1x48 n LYS 19 N -4.76 2.88 -3.60 3.15 4.01 0.11 -4.89 118.16 115.06 1x48 n LYS 19 Ca 0.17 -1.68 -0.25 0.00 -0.51 0.00 0.00 58.31 56.03 1x48 n LYS 19 Cb 0.37 -1.78 -0.03 0.00 -0.51 0.00 0.00 35.03 33.08 1x48 n LYS 19 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1x48 n LYS 20 N 0.43 -2.42 -2.57 1.97 4.76 0.97 -4.62 118.16 116.69 1x48 n LYS 20 Ca 0.15 0.25 -0.23 0.00 -2.87 0.00 0.00 58.31 55.61 1x48 n LYS 20 Cb 0.67 -4.87 0.10 0.00 -1.84 0.00 0.00 35.03 29.09 1x48 n LYS 20 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1x48 s LEU 21 N -6.44 3.01 -0.28 -0.35 1.43 0.71 -4.39 118.68 112.37 1x48 s LEU 21 Ca 0.47 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 1x48 s LEU 21 Cb -0.26 -2.16 0.06 0.00 0.03 0.00 0.00 46.19 43.85 1x48 s LEU 21 CO 0.58 -1.76 -0.05 -0.44 0.23 0.00 0.00 176.35 174.91 1x48 s SER 22 N -4.68 4.67 -0.14 2.29 0.01 -1.26 -4.51 113.70 110.09 1x48 s SER 22 Ca 0.65 -1.37 -0.03 0.00 1.31 0.00 0.00 55.95 56.50 1x48 s SER 22 Cb -0.06 -1.63 -0.03 0.00 0.21 0.00 0.00 66.02 64.51 1x48 s SER 22 CO 0.44 -0.23 -0.02 0.54 0.41 0.00 0.00 173.24 174.37 1x48 s VAL 23 N 1.17 4.08 -0.04 3.43 0.11 -1.26 -1.64 120.40 126.24 1x48 s VAL 23 Ca -0.06 -0.31 0.03 0.00 -2.93 0.00 0.00 61.98 58.71 1x48 s VAL 23 Cb -0.20 -2.77 0.01 0.00 -1.53 0.00 0.00 36.38 31.89 1x48 s VAL 23 CO -0.03 0.52 -0.11 0.20 -3.33 0.00 0.00 175.10 172.35 1x48 s ASN 24 N -0.01 1.51 -0.27 3.54 -0.87 0.17 -5.01 114.94 113.99 1x48 s ASN 24 Ca 0.02 -0.24 0.02 0.00 -1.57 0.00 0.00 52.86 51.09 1x48 s ASN 24 Cb -0.13 -0.52 0.07 0.00 -0.02 0.00 0.00 41.25 40.65 1x48 s ASN 24 CO 0.02 0.06 -0.02 -0.31 -2.57 0.00 0.00 177.10 174.28 1x48 s TYR 25 N 0.37 2.79 0.23 2.20 2.02 -1.26 -0.99 117.35 122.71 1x48 s TYR 25 Ca -0.07 -2.15 0.06 0.00 -0.37 0.00 0.00 57.07 54.54 1x48 s TYR 25 Cb -0.12 -1.97 -0.04 0.00 -0.40 0.00 0.00 41.96 39.44 1x48 s TYR 25 CO 0.02 -0.85 0.18 -1.83 -1.57 0.00 0.00 175.55 171.50 1x48 s GLU 26 N 1.25 2.93 -0.12 -0.62 -1.05 -0.33 -4.90 118.70 115.87 1x48 s GLU 26 Ca -0.01 -1.00 0.00 0.00 -0.15 0.00 0.00 54.97 53.82 1x48 s GLU 26 Cb -0.19 -2.59 0.02 0.00 -0.44 0.00 0.00 34.13 30.93 1x48 s GLU 26 CO -0.09 0.42 -0.11 -1.14 0.95 0.00 0.00 175.26 175.30 1x48 s GLN 27 N -3.64 1.85 0.44 -4.83 0.74 -1.26 0.33 119.66 113.28 1x48 s GLN 27 Ca 0.32 -0.39 -0.25 0.00 0.05 0.00 0.00 55.36 55.10 1x48 s GLN 27 Cb -0.08 -1.78 -0.09 0.00 1.10 0.00 0.00 33.01 32.16 1x48 s GLN 27 CO 0.25 -0.23 1.29 0.00 -0.55 0.00 0.00 175.29 176.04 1x48 s GLU 29 N -2.31 3.39 -0.84 0.00 8.01 -1.26 -4.75 118.70 120.94 1x48 s GLU 29 Ca 0.62 -0.75 -0.25 0.00 0.01 0.00 0.00 54.97 54.61 1x48 s GLU 29 Cb -0.49 -2.88 -0.04 0.00 -4.31 0.00 0.00 34.13 26.41 1x48 s GLU 29 CO 0.57 0.45 1.93 -1.25 0.01 0.00 0.00 175.26 176.97 1x48 s PRO 30 N -3.77 2.57 -0.74 0.39 0.04 -1.26 -4.83 135.00 127.40 1x48 s PRO 30 Ca 0.34 -0.09 -0.01 0.00 0.04 0.00 0.00 61.00 61.28 1x48 s PRO 30 Cb -0.09 -4.92 0.39 0.00 0.04 0.00 0.00 34.50 29.92 1x48 s PRO 30 CO 0.28 -3.24 1.92 0.09 0.04 0.00 0.00 177.00 176.09 1x48 n ASN 31 N 13.73 7.25 -2.48 6.66 4.13 -1.26 -4.81 115.26 138.48 1x48 n ASN 31 Ca 0.36 -3.81 -0.11 0.00 1.68 0.00 0.00 54.58 52.69 1x48 n ASN 31 Cb 0.48 -0.96 0.05 0.00 -1.54 0.00 0.00 39.78 37.81 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 -0.65 -2.55 -3.69 6.41 7.64 -1.26 -5.02 113.62 114.50 1x48 n SER 32 Ca 0.55 -0.37 -0.30 0.00 1.01 0.00 0.00 58.87 59.76 1x48 n SER 32 Cb 0.42 -3.34 -0.13 0.00 -1.01 0.00 0.00 64.21 60.14 1x48 n SER 32 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1x48 s GLU 33 N -5.03 1.02 0.12 1.43 8.01 -1.26 -5.12 118.70 117.86 1x48 s GLU 33 Ca 0.07 -1.64 0.01 0.00 0.01 0.00 0.00 54.97 53.43 1x48 s GLU 33 Cb -0.03 -2.10 -0.04 0.00 -4.31 0.00 0.00 34.13 27.65 1x48 s GLU 33 CO 0.45 -1.11 0.26 -0.51 0.01 0.00 0.00 175.26 174.36 1x48 s LEU 34 N 0.83 4.34 0.41 1.80 1.02 -1.26 -3.64 118.68 122.18 1x48 s LEU 34 Ca 0.15 0.23 -0.25 0.00 0.02 0.00 0.00 54.13 54.28 1x48 s LEU 34 Cb -0.22 -2.95 -0.08 0.00 0.02 0.00 0.00 46.19 42.95 1x48 s LEU 34 CO -0.07 0.09 1.19 -2.16 0.02 0.00 0.00 176.35 175.42 1x48 s PRO 35 N -2.94 4.00 -0.43 1.29 0.04 -1.26 -5.09 135.00 130.61 1x48 s PRO 35 Ca 0.35 1.87 -0.29 0.00 0.04 0.00 0.00 61.00 62.98 1x48 s PRO 35 Cb -0.12 -2.65 0.01 0.00 0.04 0.00 0.00 34.50 31.78 1x48 s PRO 35 CO 0.28 -0.38 1.38 -0.65 0.04 0.00 0.00 177.00 177.68 1x48 s GLN 36 N -2.34 3.57 0.26 4.56 -0.21 -1.24 -5.00 119.66 119.26 1x48 s GLN 36 Ca 0.58 0.86 0.11 0.00 0.02 0.00 0.00 55.36 56.93 1x48 s GLN 36 Cb -0.31 -4.02 -0.05 0.00 1.00 0.00 0.00 33.01 29.63 1x48 s GLN 36 CO 0.39 -1.57 -0.10 0.50 -2.12 0.00 0.00 175.29 172.40 1x48 s ARG 37 N 4.92 2.01 -0.27 2.91 3.52 -1.26 -5.10 118.95 125.67 1x48 s ARG 37 Ca 0.59 -1.55 -0.19 0.00 -0.13 0.00 0.00 55.73 54.45 1x48 s ARG 37 Cb -0.13 -2.00 -0.02 0.00 -1.56 0.00 0.00 34.95 31.25 1x48 s ARG 37 CO 0.32 0.36 0.56 -0.06 -0.81 0.00 0.00 175.30 175.67 1x48 s PHE 38 N -2.33 3.26 -0.02 5.12 0.08 -0.84 -5.00 117.98 118.24 1x48 s PHE 38 Ca 0.30 0.65 0.04 0.00 0.12 0.00 0.00 56.93 58.04 1x48 s PHE 38 Cb -0.06 -2.81 -0.01 0.00 -0.57 0.00 0.00 43.02 39.58 1x48 s PHE 38 CO 0.17 -0.34 -0.15 0.42 -0.10 0.00 0.00 175.22 175.22 1x48 s ILE 39 N 2.41 1.23 -0.18 0.64 1.01 -1.26 -0.62 121.20 124.43 1x48 s ILE 39 Ca 0.23 -0.64 0.00 0.00 0.00 0.00 0.00 60.65 60.24 1x48 s ILE 39 Cb -0.15 -1.05 0.04 0.00 0.01 0.00 0.00 42.46 41.31 1x48 s ILE 39 CO 0.10 0.36 -0.08 0.00 0.00 0.00 0.00 174.94 175.31 1x48 s LYS 41 N 1.50 4.32 -0.38 0.00 -0.14 0.15 0.12 119.74 125.31 1x48 s LYS 41 Ca -0.00 0.70 -0.07 0.00 -1.36 0.00 0.00 55.97 55.24 1x48 s LYS 41 Cb -0.16 -3.51 0.06 0.00 -1.68 0.00 0.00 37.83 32.55 1x48 s LYS 41 CO -0.08 -0.07 0.18 0.00 -0.76 0.00 0.00 175.35 174.61 1x48 s LYS 43 N 1.38 2.47 -0.28 0.00 1.02 -0.16 -2.35 119.74 121.82 1x48 s LYS 43 Ca 0.01 -0.77 0.03 0.00 0.02 0.00 0.00 55.97 55.26 1x48 s LYS 43 Cb -0.21 -2.29 0.07 0.00 -0.52 0.00 0.00 37.83 34.87 1x48 s LYS 43 CO 0.02 0.56 -0.07 0.42 -0.92 0.00 0.00 175.35 175.36 1x48 s ILE 44 N -0.58 2.24 -0.62 2.17 1.01 -0.19 -0.65 121.20 124.58 1x48 s ILE 44 Ca 0.08 -1.77 -0.03 0.00 0.00 0.00 0.00 60.65 58.93 1x48 s ILE 44 Cb -0.11 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 39.97 1x48 s ILE 44 CO 0.01 -0.15 0.39 0.61 0.00 0.00 0.00 174.94 175.80 1x48 n GLY 45 N 4.40 0.25 2.24 6.18 0.00 -0.65 -2.93 105.19 114.69 1x48 n GLY 45 Ca -0.10 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.29 -0.75 -4.86 1.61 7.27 -1.26 -5.01 117.38 112.09 1x48 n GLN 46 Ca -0.02 0.67 -0.27 0.00 0.07 0.00 0.00 57.00 57.45 1x48 n GLN 46 Cb 0.54 -4.66 -0.16 0.00 2.41 0.00 0.00 30.24 28.37 1x48 n GLN 46 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1x48 s THR 47 N -2.44 1.47 -0.13 1.69 2.01 -1.15 -5.10 115.64 112.00 1x48 s THR 47 Ca 0.00 -0.73 -0.29 0.00 0.31 0.00 0.00 61.69 60.98 1x48 s THR 47 Cb 0.00 -1.27 -0.03 0.00 0.01 0.00 0.00 72.50 71.21 1x48 s THR 47 CO 0.00 0.42 1.43 -0.32 -0.69 0.00 0.00 174.62 175.47 1x48 s MET 48 N 0.12 4.19 -0.10 4.92 1.75 -1.26 -1.02 119.30 127.89 1x48 s MET 48 Ca -0.06 1.86 -0.07 0.00 -1.25 0.00 0.00 55.69 56.17 1x48 s MET 48 Cb -0.13 -3.86 -0.05 0.00 2.84 0.00 0.00 34.83 33.63 1x48 s MET 48 CO 0.03 -0.79 -0.17 0.66 -0.65 0.00 0.00 175.02 174.10 1x48 n TYR 49 N 6.90 0.00 -4.00 4.11 4.02 -1.03 -4.95 117.16 122.21 1x48 n TYR 49 Ca 0.15 0.00 -0.09 0.00 -0.01 0.00 0.00 57.90 57.95 1x48 n TYR 49 Cb 0.44 -0.39 -0.06 0.00 -0.02 0.00 0.00 39.34 39.31 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 -4.98 0.59 -0.21 2.72 0.00 -0.99 -4.19 107.32 100.26 1x48 s GLY 50 Ca -0.17 -0.93 -0.04 0.00 0.00 0.00 0.00 44.72 43.58 1x48 s GLY 50 CO 0.22 -0.72 0.18 -1.59 0.00 0.00 0.00 173.10 171.19 1x48 s THR 51 N -4.02 -0.24 0.30 0.90 2.01 -1.26 -1.29 115.64 112.05 1x48 s THR 51 Ca 0.23 -0.23 -0.20 0.00 0.31 0.00 0.00 61.69 61.80 1x48 s THR 51 Cb 0.01 -0.70 -0.09 0.00 0.01 0.00 0.00 72.50 71.72 1x48 s THR 51 CO 0.07 -0.30 0.81 -0.83 -0.69 0.00 0.00 174.62 173.68 1x48 s GLY 52 N 2.25 2.53 -0.17 4.40 0.00 0.12 -4.66 107.32 111.80 1x48 s GLY 52 Ca 0.06 0.24 -0.07 0.00 0.00 0.00 0.00 44.72 44.95 1x48 s GLY 52 CO -0.15 0.55 0.37 -1.35 0.00 0.00 0.00 173.10 172.52 1x48 s SER 53 N -1.91 -0.19 0.22 1.64 1.04 -1.26 -0.07 113.70 113.17 1x48 s SER 53 Ca 0.51 0.86 -0.07 0.00 0.48 0.00 0.00 55.95 57.72 1x48 s SER 53 Cb -0.14 1.02 0.03 0.00 0.10 0.00 0.00 66.02 67.03 1x48 s SER 53 CO 0.19 -0.22 0.42 0.61 0.98 0.00 0.00 173.24 175.22 1x48 n GLY 54 N 5.05 1.56 0.15 7.32 0.00 0.20 -4.76 105.19 114.71 1x48 n GLY 54 Ca -0.13 -1.19 -0.05 0.00 0.00 0.00 0.00 46.02 44.66 1x48 n GLY 54 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1x48 h VAL 55 N 1.55 1.43 -3.70 1.61 -1.51 -1.96 -2.24 116.25 111.43 1x48 h VAL 55 Ca -0.18 -2.16 -0.68 0.00 -1.23 0.00 0.00 66.70 62.45 1x48 h VAL 55 Cb 0.68 2.14 -0.32 0.00 -2.13 0.00 0.00 31.29 31.66 1x48 h VAL 55 CO 0.23 0.63 -0.88 -0.89 -1.23 0.00 0.00 177.57 175.43 1x48 s THR 56 N -3.60 2.04 0.16 7.19 2.01 -1.26 -4.51 115.64 117.66 1x48 s THR 56 Ca -0.03 -1.04 -0.26 0.00 0.31 0.00 0.00 61.69 60.68 1x48 s THR 56 Cb 0.12 -1.74 -0.01 0.00 0.01 0.00 0.00 72.50 70.87 1x48 s THR 56 CO 0.80 0.56 1.38 1.17 -0.69 0.00 0.00 174.62 177.84 1x48 n LYS 57 N 3.22 -0.36 -0.28 4.92 0.00 -1.26 0.42 118.16 124.81 1x48 n LYS 57 Ca -0.18 1.36 0.03 0.00 0.00 0.00 0.00 58.31 59.52 1x48 n LYS 57 Cb 0.52 -2.00 0.11 0.00 0.00 0.00 0.00 35.03 33.66 1x48 n LYS 57 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 1x48 h GLN 58 N 0.00 0.01 -0.95 1.64 4.15 -1.97 0.64 115.11 118.62 1x48 h GLN 58 Ca 0.17 -0.00 0.12 0.00 0.77 0.00 0.00 58.65 59.72 1x48 h GLN 58 Cb 0.40 -0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.01 1x48 h GLN 58 CO -0.85 0.00 0.60 1.49 -1.93 0.00 0.00 178.83 178.15 1x48 h GLU 59 N 0.01 0.85 0.36 1.69 4.81 -0.44 -1.32 114.58 120.54 1x48 h GLU 59 Ca 0.40 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.56 1x48 h GLU 59 Cb 0.62 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1x48 h GLU 59 CO -0.83 0.56 -0.17 0.00 -0.73 0.00 0.00 179.01 177.84 1x48 h ALA 60 N 1.56 -0.85 -1.17 2.92 0.00 0.83 -2.67 119.26 119.88 1x48 h ALA 60 Ca 0.47 -0.11 0.35 0.00 0.00 0.00 0.00 54.91 55.62 1x48 h ALA 60 Cb 0.56 0.19 -0.11 0.00 0.00 0.00 0.00 17.79 18.42 1x48 h ALA 60 CO -0.23 -0.81 0.75 -0.22 0.00 0.00 0.00 179.25 178.74 1x48 h LYS 61 N -0.63 0.22 0.69 0.00 3.64 -1.15 0.76 116.57 120.11 1x48 h LYS 61 Ca -0.05 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1x48 h LYS 61 Cb 0.37 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1x48 h LYS 61 CO 0.08 0.15 -0.33 1.96 -2.27 0.00 0.00 179.45 179.04 1x48 h GLN 62 N 0.23 -0.89 -0.23 1.90 1.08 -1.18 -3.16 115.11 112.86 1x48 h GLN 62 Ca 0.71 0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.97 1x48 h GLN 62 Cb 2.04 0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 29.67 1x48 h GLN 62 CO -0.37 -0.58 0.14 -0.07 -0.95 0.00 0.00 178.83 177.00 1x48 h LEU 63 N -0.97 0.28 -0.75 1.46 3.38 -0.63 -2.88 115.31 115.20 1x48 h LEU 63 Ca -0.09 -0.05 0.20 0.00 0.09 0.00 0.00 57.88 58.02 1x48 h LEU 63 Cb 0.72 -0.07 -0.14 0.00 0.09 0.00 0.00 40.66 41.26 1x48 h LEU 63 CO 0.16 0.25 -0.02 0.00 0.09 0.00 0.00 178.44 178.91 1x48 n ALA 64 N -2.18 0.35 -0.08 1.53 0.00 0.05 0.16 120.51 120.34 1x48 n ALA 64 Ca -0.03 0.81 -0.11 0.00 0.00 0.00 0.00 53.44 54.11 1x48 n ALA 64 Cb 0.05 -0.57 -0.05 0.00 0.00 0.00 0.00 19.45 18.89 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 1.50 0.31 -0.93 0.00 0.00 -1.48 -2.47 119.26 116.20 1x48 h ALA 65 Ca 0.44 -0.22 0.14 0.00 0.00 0.00 0.00 54.91 55.27 1x48 h ALA 65 Cb 0.87 -0.08 -0.15 0.00 0.00 0.00 0.00 17.79 18.43 1x48 h ALA 65 CO -0.72 0.05 -0.36 1.17 0.00 0.00 0.00 179.25 179.39 1x48 n LYS 66 N -4.64 -0.22 0.10 0.00 4.81 0.42 -0.22 118.16 118.40 1x48 n LYS 66 Ca -0.04 1.42 -0.12 0.00 -0.87 0.00 0.00 58.31 58.70 1x48 n LYS 66 Cb 0.25 -2.11 -0.08 0.00 0.02 0.00 0.00 35.03 33.10 1x48 n LYS 66 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1x48 h GLU 67 N 0.00 -0.28 -0.95 1.64 4.57 -1.50 -3.24 114.58 114.82 1x48 h GLU 67 Ca 0.32 0.02 0.26 0.00 -1.18 0.00 0.00 59.36 58.78 1x48 h GLU 67 Cb 0.55 0.06 -0.17 0.00 -0.16 0.00 0.00 28.75 29.03 1x48 h GLU 67 CO -0.92 0.10 0.06 0.00 -1.18 0.00 0.00 179.01 177.07 1x48 h ALA 68 N -0.20 1.17 -0.39 2.92 0.00 -0.63 0.20 119.26 122.33 1x48 h ALA 68 Ca -0.03 0.32 0.06 0.00 0.00 0.00 0.00 54.91 55.25 1x48 h ALA 68 Cb 0.51 0.54 -0.08 0.00 0.00 0.00 0.00 17.79 18.75 1x48 h ALA 68 CO 0.05 -0.56 -0.52 -0.92 0.00 0.00 0.00 179.25 177.30 1x48 h TYR 69 N 0.04 -1.56 -0.66 0.00 3.20 -0.62 -0.60 116.97 116.76 1x48 h TYR 69 Ca 0.58 0.08 0.14 0.00 3.14 0.00 0.00 58.73 62.67 1x48 h TYR 69 Cb 1.20 0.74 -0.12 0.00 1.54 0.00 0.00 36.73 40.08 1x48 h TYR 69 CO -0.45 -0.48 -0.11 1.96 -1.64 0.00 0.00 178.16 177.44 1x48 h GLN 70 N -0.39 0.03 -0.15 1.82 4.20 -1.06 -1.08 115.11 118.50 1x48 h GLN 70 Ca 0.09 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.85 1x48 h GLN 70 Cb 0.60 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.31 1x48 h GLN 70 CO -0.58 0.02 -0.31 -0.22 -0.67 0.00 0.00 178.83 177.07 1x48 h LYS 71 N 0.03 -0.36 -0.78 1.46 1.63 -0.97 -1.36 116.57 116.22 1x48 h LYS 71 Ca 0.33 0.02 0.17 0.00 -0.85 0.00 0.00 60.65 60.33 1x48 h LYS 71 Cb 0.53 0.08 -0.11 0.00 -0.60 0.00 0.00 32.23 32.13 1x48 h LYS 71 CO -0.64 -0.24 0.24 -0.07 -3.45 0.00 0.00 179.45 175.29 1x48 h LEU 72 N -0.37 0.12 -2.15 5.20 3.38 -0.31 0.55 115.31 121.72 1x48 h LEU 72 Ca 0.10 0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.24 1x48 h LEU 72 Cb 0.53 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1x48 h LEU 72 CO -0.36 -0.01 0.07 -0.07 0.09 0.00 0.00 178.44 178.16 1x48 h LEU 73 N 0.33 0.00 0.03 1.67 3.38 -0.66 -1.15 115.31 118.90 1x48 h LEU 73 Ca 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.42 1x48 h LEU 73 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1x48 h LEU 73 CO -0.50 0.00 -0.01 0.11 0.09 0.00 0.00 178.44 178.13 1x48 h LYS 74 N 0.00 -0.03 -2.68 1.13 1.79 0.55 -3.42 116.57 113.91 1x48 h LYS 74 Ca 0.04 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.91 1x48 h LYS 74 Cb 0.17 0.01 -0.39 0.00 -1.58 0.00 0.00 32.23 30.44 1x48 h LYS 74 CO -0.00 0.67 -0.83 0.45 -1.08 0.00 0.00 179.45 178.66 1x48 s SER 75 N -5.94 2.86 1.02 0.86 0.15 -0.54 -5.13 113.70 106.98 1x48 s SER 75 Ca -0.15 -2.79 -0.13 0.00 0.70 0.00 0.00 55.95 53.58 1x48 s SER 75 Cb -0.01 -0.73 0.20 0.00 -1.71 0.00 0.00 66.02 63.77 1x48 s SER 75 CO 0.56 -0.23 1.09 -2.16 1.20 0.00 0.00 173.24 173.71 1x48 s PRO 76 N 0.25 0.26 -0.03 5.44 0.04 -0.47 -4.66 135.00 135.83 1x48 s PRO 76 Ca 0.24 0.47 -0.30 0.00 0.04 0.00 0.00 61.00 61.44 1x48 s PRO 76 Cb -0.12 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.64 1x48 s PRO 76 CO -0.08 -2.83 1.48 -1.25 0.04 0.00 0.00 177.00 174.35 1x48 s PRO 77 N -4.97 4.24 0.02 0.56 0.04 -1.26 -4.94 135.00 128.69 1x48 s PRO 77 Ca 0.66 2.02 -0.25 0.00 0.04 0.00 0.00 61.00 63.47 1x48 s PRO 77 Cb -0.19 -3.72 -0.18 0.00 0.04 0.00 0.00 34.50 30.45 1x48 s PRO 77 CO 0.58 -0.69 1.42 -0.22 0.04 0.00 0.00 177.00 178.13 1x48 h LYS 78 N 8.42 -0.09 -5.75 4.56 3.64 -1.98 -3.43 116.57 121.93 1x48 h LYS 78 Ca -0.37 0.01 -0.67 0.00 -1.27 0.00 0.00 60.65 58.34 1x48 h LYS 78 Cb 1.17 0.02 -0.26 0.00 -0.41 0.00 0.00 32.23 32.75 1x48 h LYS 78 CO 0.93 0.20 -0.78 0.99 -2.27 0.00 0.00 179.45 178.52 1x48 s THR 79 N -5.01 2.98 -0.94 1.00 2.01 -1.26 -5.03 115.64 109.40 1x48 s THR 79 Ca -0.15 -0.72 -0.03 0.00 0.31 0.00 0.00 61.69 61.10 1x48 s THR 79 Cb 0.03 -2.21 0.19 0.00 0.01 0.00 0.00 72.50 70.52 1x48 s THR 79 CO 0.64 0.55 2.31 0.00 -0.69 0.00 0.00 174.62 177.44 1x48 n ALA 80 N 3.01 6.51 -1.39 7.40 0.00 -1.26 -4.95 120.51 129.82 1x48 n ALA 80 Ca -0.18 -3.91 0.00 0.00 0.00 0.00 0.00 53.44 49.35 1x48 n ALA 80 Cb 0.52 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.63 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 0.72 -4.41 3.75 0.00 0.00 -1.26 -4.76 105.19 99.22 1x48 n GLY 81 Ca 0.54 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 1x48 n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x48 s THR 82 N -3.34 5.40 1.08 2.61 2.01 -1.26 -5.08 115.64 117.06 1x48 s THR 82 Ca 0.00 0.26 -0.13 0.00 0.31 0.00 0.00 61.69 62.13 1x48 s THR 82 Cb 0.00 -3.49 0.20 0.00 0.01 0.00 0.00 72.50 69.22 1x48 s THR 82 CO 0.00 0.46 0.83 -0.24 -0.69 0.00 0.00 174.62 174.98 1x48 n SER 83 N 3.31 -1.34 0.00 3.53 2.88 -1.26 -4.98 113.62 115.76 1x48 n SER 83 Ca -0.16 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1x48 n SER 83 Cb 0.52 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.72 1x48 n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x48 n GLY 84 N 1.03 -0.68 3.66 0.46 0.00 -1.26 -5.12 105.19 103.28 1x48 n GLY 84 Ca 0.05 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.82 4.14 0.25 1.61 0.04 -1.26 -4.98 135.00 133.98 1x48 s PRO 85 Ca 0.00 1.96 -0.15 0.00 0.04 0.00 0.00 61.00 62.85 1x48 s PRO 85 Cb 0.00 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.61 1x48 s PRO 85 CO 0.00 -0.87 0.54 -1.12 0.04 0.00 0.00 177.00 175.59 1x48 s SER 86 N 3.08 -0.14 -1.78 6.66 0.01 -1.26 -4.93 113.70 115.35 1x48 s SER 86 Ca 0.68 -0.84 -0.19 0.00 1.31 0.00 0.00 55.95 56.91 1x48 s SER 86 Cb -0.29 0.62 0.18 0.00 0.21 0.00 0.00 66.02 66.74 1x48 s SER 86 CO 0.25 -1.19 0.57 -1.54 0.41 0.00 0.00 173.24 171.74 1x48 n SER 87 N -0.40 -1.82 0.00 2.44 3.41 -1.26 -5.32 113.62 110.67 1x48 n SER 87 Ca -0.02 -1.18 0.00 0.00 -0.26 0.00 0.00 58.87 57.41 1x48 n SER 87 Cb 0.61 -1.97 0.00 0.00 -0.26 0.00 0.00 64.21 62.59 1x48 n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49