#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 4.95 -0.23 1.61 0.01 -1.26 -4.90 113.70 113.88 1x48 s SER 2 Ca 0.00 -1.61 -0.28 0.00 1.31 0.00 0.00 55.95 55.37 1x48 s SER 2 Cb 0.00 -2.59 -0.06 0.00 0.21 0.00 0.00 66.02 63.59 1x48 s SER 2 CO 0.00 -3.16 2.23 -1.54 0.41 0.00 0.00 173.24 171.18 1x48 n SER 3 N 14.66 3.16 -0.97 2.44 3.41 -1.26 -4.95 113.62 130.12 1x48 n SER 3 Ca 0.44 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 1x48 n SER 3 Cb 0.47 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.88 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 5.84 0.48 2.91 5.00 0.00 -1.26 -5.08 105.19 113.09 1x48 n GLY 4 Ca 0.31 -1.34 -0.20 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.09 0.95 0.27 1.61 0.01 -1.26 -5.03 113.70 109.15 1x48 s SER 5 Ca 0.00 -0.14 -0.04 0.00 1.31 0.00 0.00 55.95 57.08 1x48 s SER 5 Cb 0.00 -0.41 0.54 0.00 0.21 0.00 0.00 66.02 66.35 1x48 s SER 5 CO 0.00 -0.03 1.61 -1.28 0.41 0.00 0.00 173.24 173.95 1x48 h SER 6 N 6.97 -0.46 -3.91 2.44 0.87 -2.04 -3.44 113.55 113.98 1x48 h SER 6 Ca -0.37 0.23 -0.32 0.00 -1.23 0.00 0.00 61.79 60.11 1x48 h SER 6 Cb 1.16 0.42 -0.08 0.00 -0.44 0.00 0.00 62.40 63.46 1x48 h SER 6 CO 0.48 -0.25 -0.30 0.61 -0.53 0.00 0.00 176.83 176.84 1x48 n GLY 7 N -1.47 3.13 0.09 5.77 0.00 -1.26 -5.06 105.19 106.39 1x48 n GLY 7 Ca 0.17 -1.79 -0.11 0.00 0.00 0.00 0.00 46.02 44.29 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 -0.44 0.87 -0.22 1.61 4.02 -1.26 -3.86 117.16 117.88 1x48 n TYR 8 Ca 0.05 0.29 0.17 0.00 -0.01 0.00 0.00 57.90 58.39 1x48 n TYR 8 Cb 0.42 -1.15 0.31 0.00 -0.02 0.00 0.00 39.34 38.90 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 -3.07 -0.28 -0.05 -0.72 2.08 -1.26 0.15 119.36 116.20 1x48 n ILE 9 Ca -0.22 1.39 -0.10 0.00 0.56 0.00 0.00 62.75 64.38 1x48 n ILE 9 Cb 1.06 -2.17 -0.15 0.00 -0.75 0.00 0.00 39.64 37.64 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 -1.24 -0.98 0.30 7.39 0.00 -1.26 -4.41 105.19 104.99 1x48 n GLY 10 Ca 0.21 -0.17 0.01 0.00 0.00 0.00 0.00 46.02 46.07 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 -2.94 -0.46 0.32 0.99 4.77 0.38 -0.21 117.00 119.85 1x48 n LEU 11 Ca -0.24 1.37 -0.18 0.00 -0.03 0.00 0.00 56.01 56.93 1x48 n LEU 11 Cb 1.09 -0.34 -0.09 0.00 -2.33 0.00 0.00 43.42 41.75 1x48 n LEU 11 CO 0.44 -1.25 0.55 0.58 -1.33 0.00 0.00 177.39 176.38 1x48 h VAL 12 N 0.00 0.07 -0.71 4.08 2.07 -1.74 0.30 116.25 120.31 1x48 h VAL 12 Ca 0.30 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.89 1x48 h VAL 12 Cb 0.50 0.07 -0.09 0.00 -1.52 0.00 0.00 31.29 30.24 1x48 h VAL 12 CO -0.79 0.00 -0.39 0.59 0.02 0.00 0.00 177.57 177.00 1x48 n ASN 13 N -5.56 -0.70 -0.10 0.57 3.02 0.70 0.54 115.26 113.74 1x48 n ASN 13 Ca -0.12 1.27 -0.13 0.00 -0.03 0.00 0.00 54.58 55.56 1x48 n ASN 13 Cb 0.46 -0.19 -0.04 0.00 -0.61 0.00 0.00 39.78 39.40 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 0.77 0.00 6.41 0.02 -1.32 -3.28 113.55 116.14 1x48 h SER 14 Ca 0.14 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1x48 h SER 14 Cb 0.32 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1x48 h SER 14 CO -0.68 1.07 0.00 0.33 -1.14 0.00 0.00 176.83 176.41 1x48 n PHE 15 N -4.26 0.00 -0.28 3.45 -0.00 0.19 -1.79 117.46 114.77 1x48 n PHE 15 Ca -0.03 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.45 1x48 n PHE 15 Cb 0.46 -0.47 0.09 0.00 -0.00 0.00 0.00 39.48 39.56 1x48 n PHE 15 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1x48 n ALA 16 N -2.54 0.12 -0.23 3.13 0.00 -0.00 0.15 120.51 121.14 1x48 n ALA 16 Ca 0.00 0.83 0.03 0.00 0.00 0.00 0.00 53.44 54.30 1x48 n ALA 16 Cb 0.00 -0.47 0.14 0.00 0.00 0.00 0.00 19.45 19.12 1x48 n ALA 16 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1x48 h GLN 17 N 0.00 0.16 -0.93 0.00 4.15 -1.41 0.15 115.11 117.23 1x48 h GLN 17 Ca 0.35 -0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.87 1x48 h GLN 17 Cb 0.54 -0.04 -0.08 0.00 0.21 0.00 0.00 27.48 28.11 1x48 h GLN 17 CO -0.79 0.11 0.56 0.87 -1.93 0.00 0.00 178.83 177.65 1x48 h LYS 18 N 0.17 0.87 -0.70 1.69 1.57 0.18 0.20 116.57 120.55 1x48 h LYS 18 Ca 0.37 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1x48 h LYS 18 Cb 0.61 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1x48 h LYS 18 CO -0.54 0.58 0.00 1.63 -0.57 0.00 0.00 179.45 180.55 1x48 n LYS 19 N -4.68 3.21 -4.11 3.15 4.01 0.37 -4.89 118.16 115.21 1x48 n LYS 19 Ca 0.17 -1.90 -0.34 0.00 -0.51 0.00 0.00 58.31 55.73 1x48 n LYS 19 Cb 0.33 -1.88 -0.05 0.00 -0.51 0.00 0.00 35.03 32.92 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 0.45 -1.71 -2.75 1.97 5.02 0.70 -4.91 118.16 116.94 1x48 n LYS 20 Ca 0.17 0.19 -0.21 0.00 -2.02 0.00 0.00 58.31 56.44 1x48 n LYS 20 Cb 0.77 -4.80 0.07 0.00 -0.02 0.00 0.00 35.03 31.05 1x48 n LYS 20 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1x48 s LEU 21 N -6.88 3.14 -0.18 -0.35 1.43 -0.50 -5.00 118.68 110.33 1x48 s LEU 21 Ca 0.67 -0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 53.35 1x48 s LEU 21 Cb -0.38 -2.15 0.00 0.00 0.03 0.00 0.00 46.19 43.68 1x48 s LEU 21 CO 0.82 -1.48 -0.13 -0.44 0.23 0.00 0.00 176.35 175.36 1x48 s SER 22 N -4.62 3.74 -0.15 2.29 0.01 -1.26 -4.58 113.70 109.14 1x48 s SER 22 Ca 0.62 -0.49 -0.05 0.00 1.31 0.00 0.00 55.95 57.34 1x48 s SER 22 Cb -0.07 -1.60 -0.04 0.00 0.21 0.00 0.00 66.02 64.52 1x48 s SER 22 CO 0.41 0.03 0.02 0.54 0.41 0.00 0.00 173.24 174.65 1x48 s VAL 23 N 1.16 4.46 0.16 3.43 0.11 -1.26 -0.09 120.40 128.37 1x48 s VAL 23 Ca 0.01 -0.17 0.07 0.00 -2.93 0.00 0.00 61.98 58.96 1x48 s VAL 23 Cb -0.14 -2.96 -0.04 0.00 -1.53 0.00 0.00 36.38 31.71 1x48 s VAL 23 CO -0.05 0.52 -0.14 0.20 -3.33 0.00 0.00 175.10 172.30 1x48 s ASN 24 N -0.05 2.23 -0.15 3.54 -0.87 0.12 -4.96 114.94 114.79 1x48 s ASN 24 Ca 0.04 -0.91 -0.02 0.00 -1.57 0.00 0.00 52.86 50.41 1x48 s ASN 24 Cb -0.13 -0.09 0.05 0.00 -0.02 0.00 0.00 41.25 41.06 1x48 s ASN 24 CO 0.02 -0.17 -0.00 -0.31 -2.57 0.00 0.00 177.10 174.07 1x48 s TYR 25 N -2.56 1.17 0.24 2.20 1.51 -1.26 -0.38 117.35 118.26 1x48 s TYR 25 Ca 0.15 -0.76 -0.05 0.00 -1.01 0.00 0.00 57.07 55.40 1x48 s TYR 25 Cb -0.03 -1.07 -0.05 0.00 -0.11 0.00 0.00 41.96 40.70 1x48 s TYR 25 CO 0.04 -0.54 0.49 -2.00 -1.11 0.00 0.00 175.55 172.43 1x48 s GLU 26 N 1.81 3.63 0.19 -0.62 2.56 0.41 -4.87 118.70 121.81 1x48 s GLU 26 Ca 0.01 -0.04 0.02 0.00 0.00 0.00 0.00 54.97 54.95 1x48 s GLU 26 Cb -0.15 -2.72 -0.04 0.00 2.00 0.00 0.00 34.13 33.22 1x48 s GLU 26 CO -0.07 0.31 0.35 -0.65 -0.56 0.00 0.00 175.26 174.64 1x48 s GLN 27 N -3.23 3.47 1.06 4.30 -0.21 -1.26 -1.00 119.66 122.79 1x48 s GLN 27 Ca 0.43 -0.52 -0.17 0.00 0.02 0.00 0.00 55.36 55.12 1x48 s GLN 27 Cb -0.11 -2.90 0.07 0.00 1.00 0.00 0.00 33.01 31.08 1x48 s GLN 27 CO 0.27 0.45 0.08 0.00 -2.12 0.00 0.00 175.29 173.97 1x48 s GLU 29 N -3.44 3.86 0.47 0.00 -1.05 -1.26 -4.98 118.70 112.29 1x48 s GLU 29 Ca 0.55 0.32 0.25 0.00 -0.15 0.00 0.00 54.97 55.95 1x48 s GLU 29 Cb -0.14 -3.03 1.08 0.00 -0.44 0.00 0.00 34.13 31.59 1x48 s GLU 29 CO 0.67 0.57 1.89 -1.00 0.95 0.00 0.00 175.26 178.34 1x48 h PRO 30 N 3.88 0.00 -0.12 -4.83 0.13 -2.03 -3.32 132.00 125.72 1x48 h PRO 30 Ca -0.49 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1x48 h PRO 30 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1x48 h PRO 30 CO 0.65 0.19 -0.10 -0.97 -0.23 0.00 0.00 178.00 177.54 1x48 h ASN 31 N 0.00 -0.36 -3.90 1.44 -0.73 -2.03 -3.40 115.58 106.60 1x48 h ASN 31 Ca -0.00 0.05 -0.51 0.00 1.87 0.00 0.00 56.30 57.71 1x48 h ASN 31 Cb 0.64 0.15 0.04 0.00 0.27 0.00 0.00 38.32 39.42 1x48 h ASN 31 CO 0.03 -0.06 0.51 -0.55 -0.37 0.00 0.00 177.43 176.99 1x48 s SER 32 N -3.26 6.77 -0.19 1.15 0.15 -1.25 -4.97 113.70 112.10 1x48 s SER 32 Ca -0.02 2.37 -0.08 0.00 0.70 0.00 0.00 55.95 58.91 1x48 s SER 32 Cb 0.02 -2.62 -0.09 0.00 -1.71 0.00 0.00 66.02 61.62 1x48 s SER 32 CO 0.11 -0.50 -0.23 1.21 1.20 0.00 0.00 173.24 175.03 1x48 n GLU 33 N 0.48 0.41 -4.20 5.44 2.13 -1.26 -4.94 120.64 118.69 1x48 n GLU 33 Ca 0.02 0.17 -0.29 0.00 0.66 0.00 0.00 57.16 57.72 1x48 n GLU 33 Cb 0.45 -1.19 -0.09 0.00 0.27 0.00 0.00 31.44 30.88 1x48 n GLU 33 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1x48 s LEU 34 N -6.90 3.22 1.00 4.31 1.43 -1.26 -4.03 118.68 116.45 1x48 s LEU 34 Ca -0.26 -0.35 -0.12 0.00 -1.03 0.00 0.00 54.13 52.36 1x48 s LEU 34 Cb 0.10 -1.95 0.19 0.00 0.03 0.00 0.00 46.19 44.56 1x48 s LEU 34 CO 0.34 0.15 1.09 -2.16 0.23 0.00 0.00 176.35 176.00 1x48 s PRO 35 N -2.49 0.42 -1.43 1.29 0.04 -1.26 -5.02 135.00 126.55 1x48 s PRO 35 Ca 0.24 0.52 -0.14 0.00 0.04 0.00 0.00 61.00 61.67 1x48 s PRO 35 Cb -0.11 -1.74 0.06 0.00 0.04 0.00 0.00 34.50 32.75 1x48 s PRO 35 CO 0.16 -2.74 2.15 1.04 0.04 0.00 0.00 177.00 177.66 1x48 n GLN 36 N -4.18 2.96 -4.16 4.56 6.02 -1.26 -4.89 117.38 116.43 1x48 n GLN 36 Ca 0.05 -2.76 -0.11 0.00 -0.01 0.00 0.00 57.00 54.17 1x48 n GLN 36 Cb 0.57 -3.27 -0.10 0.00 1.02 0.00 0.00 30.24 28.46 1x48 n GLN 36 CO 0.00 0.00 0.00 -0.98 -1.01 0.00 0.00 177.06 175.07 1x48 s ARG 37 N 2.97 0.81 0.10 -1.09 1.70 -1.26 -4.79 118.95 117.39 1x48 s ARG 37 Ca 0.47 -1.25 0.02 0.00 -0.47 0.00 0.00 55.73 54.50 1x48 s ARG 37 Cb 0.13 -0.27 -0.04 0.00 -0.57 0.00 0.00 34.95 34.20 1x48 s ARG 37 CO -0.07 0.00 0.16 -0.06 -1.08 0.00 0.00 175.30 174.26 1x48 s PHE 38 N -3.22 3.33 0.09 5.89 0.40 0.77 -4.94 117.98 120.29 1x48 s PHE 38 Ca 0.09 0.12 0.07 0.00 -0.60 0.00 0.00 56.93 56.60 1x48 s PHE 38 Cb 0.02 -1.65 -0.03 0.00 0.51 0.00 0.00 43.02 41.87 1x48 s PHE 38 CO -0.03 0.54 -0.18 0.42 0.70 0.00 0.00 175.22 176.66 1x48 s ILE 39 N -1.55 1.49 -0.19 0.64 1.01 -1.26 -1.30 121.20 120.04 1x48 s ILE 39 Ca 0.32 -1.43 -0.03 0.00 0.00 0.00 0.00 60.65 59.51 1x48 s ILE 39 Cb -0.12 -1.37 0.06 0.00 0.01 0.00 0.00 42.46 41.04 1x48 s ILE 39 CO 0.25 -0.10 0.05 0.00 0.00 0.00 0.00 174.94 175.14 1x48 s LYS 41 N 1.93 3.14 -0.40 0.00 1.02 -0.17 -0.17 119.74 125.09 1x48 s LYS 41 Ca -0.00 -0.76 -0.27 0.00 0.02 0.00 0.00 55.97 54.96 1x48 s LYS 41 Cb -0.17 -4.02 0.02 0.00 -0.52 0.00 0.00 37.83 33.14 1x48 s LYS 41 CO -0.08 -1.03 1.00 0.00 -0.92 0.00 0.00 175.35 174.32 1x48 s LYS 43 N 3.78 3.34 -0.51 0.00 1.02 0.49 -2.85 119.74 125.00 1x48 s LYS 43 Ca 0.41 -0.70 -0.16 0.00 0.02 0.00 0.00 55.97 55.54 1x48 s LYS 43 Cb -0.11 -2.63 0.10 0.00 -0.52 0.00 0.00 37.83 34.68 1x48 s LYS 43 CO 0.22 0.16 0.47 0.42 -0.92 0.00 0.00 175.35 175.70 1x48 s ILE 44 N 0.48 5.19 -1.12 2.17 -1.09 0.45 0.16 121.20 127.45 1x48 s ILE 44 Ca -0.10 -1.25 -0.04 0.00 -2.23 0.00 0.00 60.65 57.03 1x48 s ILE 44 Cb -0.16 -4.25 0.00 0.00 -1.58 0.00 0.00 42.46 36.48 1x48 s ILE 44 CO 0.04 -0.75 0.96 0.61 -1.23 0.00 0.00 174.94 174.58 1x48 n GLY 45 N 5.23 -0.31 2.20 6.18 0.00 0.87 -2.32 105.19 117.04 1x48 n GLY 45 Ca -0.13 0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 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 -4.10 -0.67 -4.95 1.61 7.27 -1.26 -5.02 117.38 110.26 1x48 n GLN 46 Ca -0.12 0.56 -0.28 0.00 0.07 0.00 0.00 57.00 57.23 1x48 n GLN 46 Cb 0.60 -4.50 -0.16 0.00 2.41 0.00 0.00 30.24 28.59 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 -2.40 1.60 -0.08 1.69 2.01 -0.98 -5.11 115.64 112.38 1x48 s THR 47 Ca 0.00 -0.81 -0.30 0.00 0.31 0.00 0.00 61.69 60.89 1x48 s THR 47 Cb 0.00 -1.37 -0.03 0.00 0.01 0.00 0.00 72.50 71.11 1x48 s THR 47 CO 0.00 0.46 1.29 -0.32 -0.69 0.00 0.00 174.62 175.35 1x48 s MET 48 N -0.02 4.29 0.08 4.92 1.75 -1.26 -0.41 119.30 128.65 1x48 s MET 48 Ca -0.04 1.76 -0.00 0.00 -1.25 0.00 0.00 55.69 56.16 1x48 s MET 48 Cb -0.12 -3.65 -0.00 0.00 2.84 0.00 0.00 34.83 33.89 1x48 s MET 48 CO 0.03 -0.58 -0.01 0.66 -0.65 0.00 0.00 175.02 174.47 1x48 n TYR 49 N 5.81 0.00 -3.48 4.11 4.02 -1.13 -4.92 117.16 121.56 1x48 n TYR 49 Ca 0.13 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.86 1x48 n TYR 49 Cb 0.45 -0.01 -0.04 0.00 -0.02 0.00 0.00 39.34 39.72 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 -3.88 -0.59 0.18 2.72 0.00 -1.15 -4.23 107.32 100.37 1x48 s GLY 50 Ca -0.00 0.92 0.05 0.00 0.00 0.00 0.00 44.72 45.69 1x48 s GLY 50 CO 0.01 0.58 -0.09 -1.08 0.00 0.00 0.00 173.10 172.52 1x48 s THR 51 N -2.35 1.23 -0.02 0.90 -1.32 -1.26 0.17 115.64 113.00 1x48 s THR 51 Ca -0.06 -2.08 0.03 0.00 -1.21 0.00 0.00 61.69 58.37 1x48 s THR 51 Cb -0.00 -1.99 -0.00 0.00 -1.51 0.00 0.00 72.50 68.99 1x48 s THR 51 CO -0.00 -0.63 -0.09 -0.83 -2.21 0.00 0.00 174.62 170.86 1x48 s GLY 52 N -3.22 0.48 -0.14 6.08 0.00 0.76 -3.89 107.32 107.38 1x48 s GLY 52 Ca 0.20 -0.34 0.01 0.00 0.00 0.00 0.00 44.72 44.59 1x48 s GLY 52 CO 0.03 -0.17 -0.16 -1.35 0.00 0.00 0.00 173.10 171.46 1x48 s SER 53 N 0.04 2.72 0.06 1.64 1.04 -1.26 -0.18 113.70 117.76 1x48 s SER 53 Ca -0.01 -0.50 -0.16 0.00 0.48 0.00 0.00 55.95 55.77 1x48 s SER 53 Cb -0.06 -1.21 0.03 0.00 0.10 0.00 0.00 66.02 64.87 1x48 s SER 53 CO 0.00 -0.03 0.36 -0.83 0.98 0.00 0.00 173.24 173.73 1x48 s GLY 54 N 1.32 -0.20 0.61 7.32 0.00 -0.42 -4.73 107.32 111.21 1x48 s GLY 54 Ca 0.02 0.09 0.28 0.00 0.00 0.00 0.00 44.72 45.11 1x48 s GLY 54 CO -0.09 -0.15 1.81 -0.39 0.00 0.00 0.00 173.10 174.28 1x48 h VAL 55 N 2.94 0.26 -4.02 1.40 -1.51 -1.86 0.22 116.25 113.67 1x48 h VAL 55 Ca -0.32 0.00 -0.55 0.00 -1.23 0.00 0.00 66.70 64.60 1x48 h VAL 55 Cb 1.21 0.54 -0.23 0.00 -2.13 0.00 0.00 31.29 30.68 1x48 h VAL 55 CO 0.46 0.00 -0.83 -0.89 -1.23 0.00 0.00 177.57 175.08 1x48 s THR 56 N -4.50 1.63 0.15 7.19 2.01 -1.26 -4.10 115.64 116.75 1x48 s THR 56 Ca -0.04 -1.37 -0.25 0.00 0.31 0.00 0.00 61.69 60.34 1x48 s THR 56 Cb 0.14 -1.46 0.02 0.00 0.01 0.00 0.00 72.50 71.21 1x48 s THR 56 CO 0.48 0.03 1.60 0.50 -0.69 0.00 0.00 174.62 176.54 1x48 h LYS 57 N 4.43 -0.32 -0.68 4.92 3.11 -1.86 -1.58 116.57 124.58 1x48 h LYS 57 Ca -0.44 0.02 0.13 0.00 -2.81 0.00 0.00 60.65 57.55 1x48 h LYS 57 Cb 1.17 0.07 -0.13 0.00 -1.00 0.00 0.00 32.23 32.35 1x48 h LYS 57 CO 0.41 -0.21 -0.24 0.37 -2.81 0.00 0.00 179.45 176.97 1x48 h GLN 58 N -0.33 -0.06 -0.65 1.90 4.15 -1.96 0.94 115.11 119.10 1x48 h GLN 58 Ca 0.14 0.00 0.14 0.00 0.77 0.00 0.00 58.65 59.69 1x48 h GLN 58 Cb 0.56 0.01 -0.12 0.00 0.21 0.00 0.00 27.48 28.14 1x48 h GLN 58 CO -0.47 -0.04 -0.09 1.49 -1.93 0.00 0.00 178.83 177.79 1x48 h GLU 59 N -0.06 0.04 0.74 1.69 4.81 -1.64 -0.89 114.58 119.27 1x48 h GLU 59 Ca 0.31 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.50 1x48 h GLU 59 Cb 0.54 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.92 1x48 h GLU 59 CO -0.73 0.03 -0.36 0.00 -0.73 0.00 0.00 179.01 177.22 1x48 h ALA 60 N 1.63 -1.00 -1.23 2.92 0.00 -0.62 -2.60 119.26 118.37 1x48 h ALA 60 Ca 0.33 -0.23 0.37 0.00 0.00 0.00 0.00 54.91 55.39 1x48 h ALA 60 Cb 0.53 0.39 -0.11 0.00 0.00 0.00 0.00 17.79 18.59 1x48 h ALA 60 CO -0.63 -1.02 0.80 -0.22 0.00 0.00 0.00 179.25 178.19 1x48 h LYS 61 N -1.08 0.18 0.00 0.00 1.63 -0.58 0.62 116.57 117.33 1x48 h LYS 61 Ca -0.10 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 1x48 h LYS 61 Cb 0.78 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.37 1x48 h LYS 61 CO 0.17 0.12 0.00 1.04 -3.45 0.00 0.00 179.45 177.33 1x48 n GLN 62 N -4.62 0.00 -0.29 1.90 1.13 -0.40 -3.73 117.38 111.37 1x48 n GLN 62 Ca 0.33 0.36 0.08 0.00 -1.94 0.00 0.00 57.00 55.83 1x48 n GLN 62 Cb 1.24 -1.19 0.20 0.00 0.11 0.00 0.00 30.24 30.60 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 -0.41 -1.11 1.08 3.38 -1.06 0.17 115.31 117.36 1x48 h LEU 63 Ca 0.00 0.22 0.36 0.00 0.09 0.00 0.00 57.88 58.55 1x48 h LEU 63 Cb 0.00 0.40 -0.08 0.00 0.09 0.00 0.00 40.66 41.07 1x48 h LEU 63 CO 0.00 -0.23 0.75 0.00 0.09 0.00 0.00 178.44 179.05 1x48 n ALA 64 N -3.03 1.08 0.00 1.53 0.00 0.16 0.22 120.51 120.47 1x48 n ALA 64 Ca 0.17 0.55 -0.19 0.00 0.00 0.00 0.00 53.44 53.96 1x48 n ALA 64 Cb 0.56 -0.75 -0.14 0.00 0.00 0.00 0.00 19.45 19.11 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 0.95 0.01 -0.99 0.00 0.00 -0.77 -2.98 119.26 115.48 1x48 h ALA 65 Ca 0.63 -0.76 0.34 0.00 0.00 0.00 0.00 54.91 55.11 1x48 h ALA 65 Cb 2.20 0.20 -0.18 0.00 0.00 0.00 0.00 17.79 20.01 1x48 h ALA 65 CO -0.21 0.40 0.29 -0.22 0.00 0.00 0.00 179.25 179.51 1x48 h LYS 66 N -0.56 0.03 0.05 0.00 3.64 0.27 0.22 116.57 120.22 1x48 h LYS 66 Ca -0.15 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.22 1x48 h LYS 66 Cb 1.49 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.30 1x48 h LYS 66 CO 0.07 0.02 -0.02 0.93 -2.27 0.00 0.00 179.45 178.18 1x48 h GLU 67 N 0.03 -0.06 -1.00 1.90 3.07 -1.61 -3.33 114.58 113.58 1x48 h GLU 67 Ca 0.71 0.00 0.37 0.00 -0.50 0.00 0.00 59.36 59.95 1x48 h GLU 67 Cb 1.69 0.01 -0.17 0.00 -0.84 0.00 0.00 28.75 29.45 1x48 h GLU 67 CO -0.83 0.18 0.53 0.00 -1.40 0.00 0.00 179.01 177.50 1x48 h ALA 68 N -0.76 2.04 0.03 3.43 0.00 -1.07 0.22 119.26 123.15 1x48 h ALA 68 Ca -0.01 0.24 0.03 0.00 0.00 0.00 0.00 54.91 55.17 1x48 h ALA 68 Cb 0.27 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1x48 h ALA 68 CO 0.01 -0.79 -0.25 -0.92 0.00 0.00 0.00 179.25 177.30 1x48 h TYR 69 N 0.13 -0.68 -0.25 0.00 3.20 -0.72 -2.75 116.97 115.89 1x48 h TYR 69 Ca 0.79 0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.74 1x48 h TYR 69 Cb 1.98 0.30 -0.08 0.00 1.54 0.00 0.00 36.73 40.47 1x48 h TYR 69 CO -0.03 -0.35 -0.41 1.96 -1.64 0.00 0.00 178.16 177.70 1x48 h GLN 70 N -0.41 -0.39 -0.87 1.82 1.08 -0.66 -1.66 115.11 114.02 1x48 h GLN 70 Ca 0.05 0.03 0.14 0.00 -1.45 0.00 0.00 58.65 57.42 1x48 h GLN 70 Cb 0.48 0.09 -0.15 0.00 -0.05 0.00 0.00 27.48 27.85 1x48 h GLN 70 CO -0.20 -0.26 -0.36 -0.22 -0.95 0.00 0.00 178.83 176.84 1x48 h LYS 71 N -0.40 -0.05 -0.26 1.46 1.63 -1.34 0.31 116.57 117.92 1x48 h LYS 71 Ca 0.11 0.00 0.06 0.00 -0.85 0.00 0.00 60.65 59.97 1x48 h LYS 71 Cb 0.60 0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 32.18 1x48 h LYS 71 CO -0.47 -0.03 -0.11 -0.07 -3.45 0.00 0.00 179.45 175.32 1x48 h LEU 72 N -0.05 -0.36 -0.84 5.20 3.38 -1.05 0.52 115.31 122.11 1x48 h LEU 72 Ca 0.32 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.42 1x48 h LEU 72 Cb 0.59 0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.50 1x48 h LEU 72 CO -0.89 -0.14 0.54 -0.07 0.09 0.00 0.00 178.44 177.97 1x48 h LEU 73 N -0.06 0.90 0.00 1.67 3.38 -0.04 -1.74 115.31 119.42 1x48 h LEU 73 Ca 0.14 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1x48 h LEU 73 Cb 0.27 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1x48 h LEU 73 CO -0.31 0.62 0.00 0.29 0.09 0.00 0.00 178.44 179.13 1x48 n LYS 74 N -4.56 0.00 -3.86 1.13 5.02 0.79 -4.66 118.16 112.03 1x48 n LYS 74 Ca 0.10 0.42 -0.29 0.00 -2.02 0.00 0.00 58.31 56.52 1x48 n LYS 74 Cb 0.09 -1.14 -0.13 0.00 -0.02 0.00 0.00 35.03 33.82 1x48 n LYS 74 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1x48 s SER 75 N -2.37 4.19 0.66 4.39 0.15 0.17 -5.08 113.70 115.81 1x48 s SER 75 Ca 0.00 -3.23 -0.15 0.00 0.70 0.00 0.00 55.95 53.28 1x48 s SER 75 Cb 0.00 -1.45 -0.00 0.00 -1.71 0.00 0.00 66.02 62.86 1x48 s SER 75 CO 0.00 -0.19 1.11 -2.16 1.20 0.00 0.00 173.24 173.21 1x48 s PRO 76 N -0.54 2.80 -0.01 5.44 0.04 -0.65 -4.50 135.00 137.57 1x48 s PRO 76 Ca 0.21 1.39 -0.25 0.00 0.04 0.00 0.00 61.00 62.39 1x48 s PRO 76 Cb -0.17 -1.95 -0.19 0.00 0.04 0.00 0.00 34.50 32.23 1x48 s PRO 76 CO -0.07 -1.25 1.28 -1.00 0.04 0.00 0.00 177.00 176.01 1x48 h PRO 77 N 0.03 0.08 -0.89 0.56 0.13 -1.93 -3.47 132.00 126.50 1x48 h PRO 77 Ca -0.47 -0.04 0.19 0.00 -0.87 0.00 0.00 66.00 64.82 1x48 h PRO 77 Cb 1.25 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.09 1x48 h PRO 77 CO 0.54 0.54 0.50 0.21 -0.23 0.00 0.00 178.00 179.56 1x48 s LYS 78 N -4.26 0.17 0.12 0.86 2.20 -1.26 -5.17 119.74 112.39 1x48 s LYS 78 Ca -0.16 0.35 0.07 0.00 -0.36 0.00 0.00 55.97 55.87 1x48 s LYS 78 Cb 0.02 0.13 -0.04 0.00 -1.51 0.00 0.00 37.83 36.43 1x48 s LYS 78 CO 0.69 -0.05 -0.07 -0.08 -0.36 0.00 0.00 175.35 175.49 1x48 s THR 79 N 1.69 3.52 -0.08 3.43 -1.32 -1.26 -4.89 115.64 116.74 1x48 s THR 79 Ca -0.05 -1.27 -0.03 0.00 -1.21 0.00 0.00 61.69 59.13 1x48 s THR 79 Cb -0.03 -2.68 -0.04 0.00 -1.51 0.00 0.00 72.50 68.25 1x48 s THR 79 CO -0.14 0.06 -0.09 0.00 -2.21 0.00 0.00 174.62 172.24 1x48 n ALA 80 N 0.50 2.39 0.06 11.08 0.00 -1.26 -4.83 120.51 128.45 1x48 n ALA 80 Ca -0.12 -0.30 -0.05 0.00 0.00 0.00 0.00 53.44 52.97 1x48 n ALA 80 Cb 0.53 0.39 -0.03 0.00 0.00 0.00 0.00 19.45 20.34 1x48 n ALA 80 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1x48 h GLY 81 N -0.13 -0.98 -5.01 0.00 0.00 -1.97 -3.45 103.07 91.54 1x48 h GLY 81 Ca -0.19 0.44 0.06 0.00 0.00 0.00 0.00 47.33 47.64 1x48 h GLY 81 CO -0.10 -0.34 -0.08 -1.08 0.00 0.00 0.00 176.54 174.94 1x48 s THR 82 N -3.73 -0.67 -0.04 4.70 -1.32 -1.26 -5.03 115.64 108.29 1x48 s THR 82 Ca -0.04 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.42 1x48 s THR 82 Cb 0.01 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.98 1x48 s THR 82 CO 0.16 0.00 2.32 -0.24 -2.21 0.00 0.00 174.62 174.64 1x48 n SER 83 N 5.08 5.45 -1.88 8.08 2.88 -1.26 -4.89 113.62 127.09 1x48 n SER 83 Ca -0.15 -2.50 0.00 0.00 -1.33 0.00 0.00 58.87 54.90 1x48 n SER 83 Cb 0.52 -1.18 0.00 0.00 -0.75 0.00 0.00 64.21 62.80 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 1.57 -5.14 3.58 0.46 0.00 -1.26 -4.75 105.19 99.64 1x48 n GLY 84 Ca 0.12 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.60 3.04 0.13 1.61 0.04 -1.26 -4.98 135.00 131.98 1x48 s PRO 85 Ca 0.00 0.98 0.09 0.00 0.04 0.00 0.00 61.00 62.11 1x48 s PRO 85 Cb 0.00 -4.26 -0.04 0.00 0.04 0.00 0.00 34.50 30.24 1x48 s PRO 85 CO 0.00 -2.22 -0.17 -1.54 0.04 0.00 0.00 177.00 173.11 1x48 s SER 86 N 6.70 3.92 0.22 6.66 1.04 -1.26 -5.03 113.70 125.95 1x48 s SER 86 Ca 0.71 -0.58 -0.07 0.00 0.48 0.00 0.00 55.95 56.49 1x48 s SER 86 Cb -0.17 -0.56 0.33 0.00 0.10 0.00 0.00 66.02 65.73 1x48 s SER 86 CO 0.27 0.16 1.77 0.77 0.98 0.00 0.00 173.24 177.20 1x48 h SER 87 N 3.56 0.42 0.00 7.02 4.64 -2.02 -3.55 113.55 123.62 1x48 h SER 87 Ca -0.49 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1x48 h SER 87 Cb 1.18 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1x48 h SER 87 CO 0.48 0.24 0.00 0.61 -0.87 0.00 0.00 176.83 177.28