#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x48 h SER 2 N 0.00 0.49 0.00 1.61 0.87 -2.03 -3.35 113.55 111.13 1x48 h SER 2 Ca 0.00 -0.12 -0.17 0.00 -1.23 0.00 0.00 61.79 60.28 1x48 h SER 2 Cb 0.00 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 1x48 h SER 2 CO 0.00 0.47 -1.29 -0.24 -0.53 0.00 0.00 176.83 175.24 1x48 n SER 3 N -4.72 1.89 0.00 6.23 2.88 -1.26 -5.11 113.62 113.53 1x48 n SER 3 Ca -0.00 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 1x48 n SER 3 Cb 0.10 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 1x48 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x48 n GLY 4 N 1.45 2.68 3.55 0.46 0.00 -1.26 -5.09 105.19 106.99 1x48 n GLY 4 Ca -0.26 -0.78 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 1x48 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x48 n SER 5 N 0.00 -0.27 -4.25 1.61 2.88 -1.26 -2.47 113.62 109.86 1x48 n SER 5 Ca 0.00 0.60 -0.34 0.00 -1.33 0.00 0.00 58.87 57.80 1x48 n SER 5 Cb 0.00 -1.34 -0.05 0.00 -0.75 0.00 0.00 64.21 62.07 1x48 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x48 n SER 6 N -1.39 -1.35 -2.07 -3.46 7.64 -1.26 -4.84 113.62 106.89 1x48 n SER 6 Ca 0.11 -1.12 -0.27 0.00 1.01 0.00 0.00 58.87 58.61 1x48 n SER 6 Cb 0.50 -2.33 0.06 0.00 -1.01 0.00 0.00 64.21 61.43 1x48 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x48 n GLY 7 N -1.73 6.07 0.66 0.23 0.00 -1.03 -4.77 105.19 104.61 1x48 n GLY 7 Ca -0.10 -2.40 0.48 0.00 0.00 0.00 0.00 46.02 44.00 1x48 n GLY 7 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1x48 h TYR 8 N 2.00 0.00 -0.77 1.61 -1.99 -1.88 -0.81 116.97 115.13 1x48 h TYR 8 Ca 0.45 0.00 0.31 0.00 2.00 0.00 0.00 58.73 61.49 1x48 h TYR 8 Cb 1.28 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 39.89 1x48 h TYR 8 CO 1.10 0.00 0.44 -0.89 -0.00 0.00 0.00 178.16 178.81 1x48 n ILE 9 N -3.97 -0.28 -0.02 -2.88 2.08 -1.26 0.24 119.36 113.27 1x48 n ILE 9 Ca 0.39 1.42 -0.05 0.00 0.56 0.00 0.00 62.75 65.07 1x48 n ILE 9 Cb 1.80 -2.32 -0.13 0.00 -0.75 0.00 0.00 39.64 38.24 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 -1.06 0.16 7.39 0.00 -0.31 -4.27 105.19 105.88 1x48 n GLY 10 Ca 0.28 -0.15 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.67 -0.20 0.99 3.38 0.29 -2.02 115.31 117.09 1x48 h LEU 11 Ca -0.29 0.09 0.04 0.00 0.09 0.00 0.00 57.88 57.80 1x48 h LEU 11 Cb 1.88 0.27 -0.07 0.00 0.09 0.00 0.00 40.66 42.83 1x48 h LEU 11 CO 0.05 -0.15 -0.54 0.58 0.09 0.00 0.00 178.44 178.48 1x48 h VAL 12 N -0.15 0.01 -0.74 1.22 2.07 -1.74 0.52 116.25 117.44 1x48 h VAL 12 Ca 0.02 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.64 1x48 h VAL 12 Cb 0.22 0.01 -0.11 0.00 -1.52 0.00 0.00 31.29 29.89 1x48 h VAL 12 CO -0.21 0.00 -0.34 0.59 0.02 0.00 0.00 177.57 177.63 1x48 n ASN 13 N -5.42 -0.59 0.12 0.57 3.02 -1.01 0.20 115.26 112.14 1x48 n ASN 13 Ca -0.05 1.30 -0.03 0.00 -0.03 0.00 0.00 54.58 55.77 1x48 n ASN 13 Cb 0.37 -0.25 0.10 0.00 -0.61 0.00 0.00 39.78 39.39 1x48 n ASN 13 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1x48 h SER 14 N 0.00 0.04 0.03 6.41 0.87 -0.64 -3.21 113.55 117.04 1x48 h SER 14 Ca 0.21 -0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.76 1x48 h SER 14 Cb 0.39 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 1x48 h SER 14 CO -0.72 0.73 -0.12 0.15 -0.53 0.00 0.00 176.83 176.33 1x48 h PHE 15 N 0.02 -0.32 0.53 2.24 3.57 0.74 -0.20 116.94 123.53 1x48 h PHE 15 Ca -0.01 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1x48 h PHE 15 Cb 1.24 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 40.11 1x48 h PHE 15 CO 0.00 -0.19 -0.38 0.00 -2.23 0.00 0.00 178.31 175.52 1x48 h ALA 16 N 0.71 -1.14 -0.47 2.41 0.00 -0.83 -0.43 119.26 119.50 1x48 h ALA 16 Ca 0.03 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.85 1x48 h ALA 16 Cb 0.26 0.53 -0.10 0.00 0.00 0.00 0.00 17.79 18.49 1x48 h ALA 16 CO -0.10 -1.13 -0.37 0.37 0.00 0.00 0.00 179.25 178.02 1x48 h GLN 17 N -0.86 -0.24 -0.95 0.00 5.75 -1.55 0.25 115.11 117.51 1x48 h GLN 17 Ca -0.07 0.02 0.15 0.00 -0.15 0.00 0.00 58.65 58.60 1x48 h GLN 17 Cb 0.71 0.05 -0.10 0.00 1.07 0.00 0.00 27.48 29.22 1x48 h GLN 17 CO 0.04 -0.16 0.56 0.87 -2.65 0.00 0.00 178.83 177.49 1x48 h LYS 18 N -0.25 0.77 -0.80 1.69 1.57 -0.94 0.42 116.57 119.02 1x48 h LYS 18 Ca 0.18 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1x48 h LYS 18 Cb 0.56 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 1x48 h LYS 18 CO -0.60 0.51 0.01 1.63 -0.57 0.00 0.00 179.45 180.42 1x48 n LYS 19 N -4.75 2.85 -3.57 3.15 5.02 0.36 -4.87 118.16 116.34 1x48 n LYS 19 Ca 0.20 -1.52 -0.24 0.00 -2.02 0.00 0.00 58.31 54.73 1x48 n LYS 19 Cb 0.45 -1.86 -0.03 0.00 -0.02 0.00 0.00 35.03 33.57 1x48 n LYS 19 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1x48 n LYS 20 N 0.29 -2.33 -2.82 1.97 5.02 0.15 -4.91 118.16 115.52 1x48 n LYS 20 Ca 0.14 0.23 -0.20 0.00 -2.02 0.00 0.00 58.31 56.45 1x48 n LYS 20 Cb 0.72 -4.84 0.05 0.00 -0.02 0.00 0.00 35.03 30.95 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 -6.38 3.24 -0.23 -0.35 1.43 0.61 -4.98 118.68 112.03 1x48 s LEU 21 Ca 0.46 -0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 53.11 1x48 s LEU 21 Cb -0.26 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 43.70 1x48 s LEU 21 CO 0.56 -1.29 -0.06 -0.44 0.23 0.00 0.00 176.35 175.35 1x48 s SER 22 N -4.55 4.19 -0.15 2.29 0.01 -1.26 -4.38 113.70 109.84 1x48 s SER 22 Ca 0.60 -0.55 -0.00 0.00 1.31 0.00 0.00 55.95 57.31 1x48 s SER 22 Cb -0.08 -1.69 -0.01 0.00 0.21 0.00 0.00 66.02 64.45 1x48 s SER 22 CO 0.39 -0.05 -0.13 0.54 0.41 0.00 0.00 173.24 174.40 1x48 s VAL 23 N 1.42 2.89 0.13 3.43 0.11 -1.26 -2.70 120.40 124.42 1x48 s VAL 23 Ca 0.04 -0.70 0.08 0.00 -2.93 0.00 0.00 61.98 58.48 1x48 s VAL 23 Cb -0.15 -2.23 -0.04 0.00 -1.53 0.00 0.00 36.38 32.43 1x48 s VAL 23 CO -0.05 0.51 -0.19 0.20 -3.33 0.00 0.00 175.10 172.24 1x48 s ASN 24 N 0.73 2.52 -0.33 3.54 -0.87 -0.18 -5.00 114.94 115.34 1x48 s ASN 24 Ca -0.06 -0.77 0.02 0.00 -1.57 0.00 0.00 52.86 50.49 1x48 s ASN 24 Cb -0.15 -0.14 0.10 0.00 -0.02 0.00 0.00 41.25 41.04 1x48 s ASN 24 CO 0.01 -0.00 0.07 -0.31 -2.57 0.00 0.00 177.10 174.30 1x48 s TYR 25 N -1.62 2.97 0.07 2.20 2.02 -1.26 -1.21 117.35 120.53 1x48 s TYR 25 Ca 0.10 -2.52 -0.21 0.00 -0.37 0.00 0.00 57.07 54.07 1x48 s TYR 25 Cb -0.08 -2.46 -0.07 0.00 -0.40 0.00 0.00 41.96 38.95 1x48 s TYR 25 CO 0.05 -0.92 0.61 -1.21 -1.57 0.00 0.00 175.55 172.51 1x48 s GLU 26 N 1.16 4.28 -0.09 -0.62 2.02 -0.18 -4.83 118.70 120.44 1x48 s GLU 26 Ca 0.11 0.81 0.01 0.00 0.02 0.00 0.00 54.97 55.91 1x48 s GLU 26 Cb -0.18 -3.26 -0.02 0.00 0.10 0.00 0.00 34.13 30.76 1x48 s GLU 26 CO -0.14 0.57 -0.11 -0.65 0.02 0.00 0.00 175.26 174.95 1x48 s GLN 27 N -0.93 2.94 0.02 1.61 1.11 -1.26 0.21 119.66 123.36 1x48 s GLN 27 Ca 0.31 -0.65 0.02 0.00 0.01 0.00 0.00 55.36 55.05 1x48 s GLN 27 Cb -0.20 -2.55 -0.01 0.00 -1.01 0.00 0.00 33.01 29.24 1x48 s GLN 27 CO 0.20 0.47 -0.07 0.00 0.01 0.00 0.00 175.29 175.89 1x48 s GLU 29 N -0.91 1.59 0.00 0.00 1.03 -1.26 -3.31 118.70 115.84 1x48 s GLU 29 Ca -0.04 -0.89 0.00 0.00 0.03 0.00 0.00 54.97 54.07 1x48 s GLU 29 Cb -0.06 -1.64 0.00 0.00 -0.80 0.00 0.00 34.13 31.62 1x48 s GLU 29 CO 0.00 0.43 0.00 -0.35 -1.33 0.00 0.00 175.26 174.02 1x48 n PRO 30 N 2.14 0.19 -0.37 -4.83 -0.04 -1.26 -5.01 135.00 125.82 1x48 n PRO 30 Ca -0.16 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.04 1x48 n PRO 30 Cb 0.53 0.00 0.24 0.00 -0.04 0.00 0.00 33.50 34.22 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 -1.19 -3.49 -4.02 3.54 3.02 -1.26 -4.78 115.26 107.08 1x48 n ASN 31 Ca 0.00 -0.61 -0.42 0.00 -0.03 0.00 0.00 54.58 53.52 1x48 n ASN 31 Cb 0.00 -0.94 -0.00 0.00 -0.61 0.00 0.00 39.78 38.23 1x48 n ASN 31 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1x48 n SER 32 N -3.96 4.15 -3.75 6.41 2.88 -1.26 -4.87 113.62 113.21 1x48 n SER 32 Ca 0.09 -2.86 -0.16 0.00 -1.33 0.00 0.00 58.87 54.62 1x48 n SER 32 Cb 0.51 -1.67 -0.16 0.00 -0.75 0.00 0.00 64.21 62.14 1x48 n SER 32 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1x48 s GLU 33 N 3.67 -0.03 0.37 -1.46 0.41 -1.26 -5.16 118.70 115.24 1x48 s GLU 33 Ca 0.50 0.23 -0.05 0.00 -0.41 0.00 0.00 54.97 55.24 1x48 s GLU 33 Cb 0.10 -0.28 -0.05 0.00 -1.78 0.00 0.00 34.13 32.13 1x48 s GLU 33 CO -0.02 -0.19 0.66 -0.51 -0.49 0.00 0.00 175.26 174.70 1x48 s LEU 34 N 1.23 3.90 1.17 1.80 2.01 -1.26 -4.38 118.68 123.15 1x48 s LEU 34 Ca -0.07 0.82 -0.18 0.00 0.01 0.00 0.00 54.13 54.70 1x48 s LEU 34 Cb -0.13 -3.69 0.27 0.00 0.01 0.00 0.00 46.19 42.66 1x48 s LEU 34 CO -0.03 -0.35 1.11 -2.16 1.01 0.00 0.00 176.35 175.93 1x48 s PRO 35 N -4.03 -0.98 -0.31 1.29 0.04 -1.26 -5.09 135.00 124.67 1x48 s PRO 35 Ca 0.46 0.02 -0.23 0.00 0.04 0.00 0.00 61.00 61.28 1x48 s PRO 35 Cb -0.10 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 32.82 1x48 s PRO 35 CO 0.35 -3.56 0.78 -1.14 0.04 0.00 0.00 177.00 173.46 1x48 s GLN 36 N -5.34 3.93 -0.24 4.56 2.00 -1.26 -5.03 119.66 118.28 1x48 s GLN 36 Ca 0.70 0.53 -0.21 0.00 -2.00 0.00 0.00 55.36 54.38 1x48 s GLN 36 Cb -0.11 -3.74 -0.02 0.00 0.80 0.00 0.00 33.01 29.94 1x48 s GLN 36 CO 0.56 -0.69 0.66 0.50 -0.50 0.00 0.00 175.29 175.82 1x48 s ARG 37 N 2.95 4.14 -0.48 1.67 6.06 -1.26 -4.89 118.95 127.15 1x48 s ARG 37 Ca 0.32 0.62 -0.24 0.00 -2.50 0.00 0.00 55.73 53.93 1x48 s ARG 37 Cb -0.14 -3.63 0.03 0.00 0.06 0.00 0.00 34.95 31.27 1x48 s ARG 37 CO 0.13 -0.39 0.86 -0.06 -2.50 0.00 0.00 175.30 173.35 1x48 s PHE 38 N 2.41 2.93 -0.22 5.12 0.08 -0.31 -4.65 117.98 123.34 1x48 s PHE 38 Ca 0.28 0.19 -0.03 0.00 0.12 0.00 0.00 56.93 57.49 1x48 s PHE 38 Cb -0.16 -3.86 0.01 0.00 -0.57 0.00 0.00 43.02 38.44 1x48 s PHE 38 CO 0.09 -1.11 -0.07 0.42 -0.10 0.00 0.00 175.22 174.45 1x48 s ILE 39 N 3.58 3.04 0.14 0.64 1.01 -1.21 -0.96 121.20 127.45 1x48 s ILE 39 Ca 0.32 -0.70 0.06 0.00 0.00 0.00 0.00 60.65 60.33 1x48 s ILE 39 Cb -0.12 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 1x48 s ILE 39 CO 0.23 0.38 0.02 0.00 0.00 0.00 0.00 174.94 175.58 1x48 s LYS 41 N -2.75 0.45 -0.34 0.00 1.02 0.13 0.22 119.74 118.48 1x48 s LYS 41 Ca 0.27 0.14 -0.23 0.00 0.02 0.00 0.00 55.97 56.18 1x48 s LYS 41 Cb -0.10 -0.81 0.00 0.00 -0.52 0.00 0.00 37.83 36.40 1x48 s LYS 41 CO 0.19 -0.27 0.75 0.00 -0.92 0.00 0.00 175.35 175.10 1x48 s LYS 43 N 2.96 2.76 -0.19 0.00 3.01 -0.35 -2.68 119.74 125.25 1x48 s LYS 43 Ca 0.30 -0.77 0.01 0.00 -1.01 0.00 0.00 55.97 54.49 1x48 s LYS 43 Cb -0.14 -2.15 0.02 0.00 -1.01 0.00 0.00 37.83 34.55 1x48 s LYS 43 CO 0.15 0.10 -0.17 0.42 0.51 0.00 0.00 175.35 176.35 1x48 s ILE 44 N 0.54 2.23 -1.24 2.17 1.01 0.11 -1.01 121.20 125.00 1x48 s ILE 44 Ca -0.15 -0.93 -0.05 0.00 0.00 0.00 0.00 60.65 59.52 1x48 s ILE 44 Cb -0.17 -1.97 0.01 0.00 0.01 0.00 0.00 42.46 40.34 1x48 s ILE 44 CO 0.05 0.49 1.07 0.61 0.00 0.00 0.00 174.94 177.16 1x48 n GLY 45 N 4.63 -0.42 2.43 6.18 0.00 -1.10 -1.73 105.19 115.18 1x48 n GLY 45 Ca -0.20 0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 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 -4.50 -1.34 -4.99 1.61 6.02 -1.26 -4.98 117.38 107.94 1x48 n GLN 46 Ca -0.11 1.00 -0.27 0.00 -0.01 0.00 0.00 57.00 57.61 1x48 n GLN 46 Cb 0.60 -5.38 -0.16 0.00 1.02 0.00 0.00 30.24 26.32 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 -2.78 1.60 -0.02 5.09 2.01 -0.71 -5.12 115.64 115.71 1x48 s THR 47 Ca 0.00 -0.86 -0.27 0.00 0.31 0.00 0.00 61.69 60.88 1x48 s THR 47 Cb 0.00 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 1x48 s THR 47 CO 0.00 0.45 0.84 -0.32 -0.69 0.00 0.00 174.62 174.90 1x48 s MET 48 N -0.41 4.51 0.12 4.92 1.75 -1.26 -0.72 119.30 128.20 1x48 s MET 48 Ca 0.06 1.15 0.00 0.00 -1.25 0.00 0.00 55.69 55.66 1x48 s MET 48 Cb -0.08 -3.44 0.00 0.00 2.84 0.00 0.00 34.83 34.15 1x48 s MET 48 CO -0.00 0.05 0.00 0.66 -0.65 0.00 0.00 175.02 175.08 1x48 n TYR 49 N 3.65 -0.24 -4.13 4.11 4.02 -1.09 -4.96 117.16 118.53 1x48 n TYR 49 Ca 0.02 0.04 -0.09 0.00 -0.01 0.00 0.00 57.90 57.86 1x48 n TYR 49 Cb 0.51 0.05 -0.10 0.00 -0.02 0.00 0.00 39.34 39.78 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 -4.09 0.69 -0.05 2.72 0.00 -1.19 -4.44 107.32 100.96 1x48 s GLY 50 Ca 0.00 -1.32 -0.02 0.00 0.00 0.00 0.00 44.72 43.38 1x48 s GLY 50 CO 0.00 -1.37 0.07 -1.59 0.00 0.00 0.00 173.10 170.22 1x48 s THR 51 N -3.88 -0.13 0.09 0.90 2.01 -1.26 -0.42 115.64 112.94 1x48 s THR 51 Ca 0.13 0.42 -0.01 0.00 0.31 0.00 0.00 61.69 62.53 1x48 s THR 51 Cb 0.07 -0.17 -0.04 0.00 0.01 0.00 0.00 72.50 72.36 1x48 s THR 51 CO -0.05 0.17 0.26 -0.83 -0.69 0.00 0.00 174.62 173.48 1x48 s GLY 52 N 2.19 2.20 -0.11 4.40 0.00 0.13 -4.65 107.32 111.49 1x48 s GLY 52 Ca 0.05 -0.75 -0.03 0.00 0.00 0.00 0.00 44.72 43.98 1x48 s GLY 52 CO -0.03 -0.72 0.13 -1.35 0.00 0.00 0.00 173.10 171.13 1x48 s SER 53 N -2.49 1.22 0.09 1.64 1.04 -1.26 -0.21 113.70 113.73 1x48 s SER 53 Ca 0.37 0.02 -0.01 0.00 0.48 0.00 0.00 55.95 56.82 1x48 s SER 53 Cb -0.13 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.10 1x48 s SER 53 CO 0.27 -0.28 0.13 0.61 0.98 0.00 0.00 173.24 174.96 1x48 n GLY 54 N 5.31 2.81 0.15 7.32 0.00 -0.13 -4.78 105.19 115.86 1x48 n GLY 54 Ca -0.05 -1.42 0.12 0.00 0.00 0.00 0.00 46.02 44.67 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 1.27 0.00 -3.59 1.61 -1.51 -1.90 -0.80 116.25 111.32 1x48 h VAL 55 Ca -0.07 -0.87 -0.48 0.00 -1.23 0.00 0.00 66.70 64.04 1x48 h VAL 55 Cb 0.32 1.62 -0.33 0.00 -2.13 0.00 0.00 31.29 30.77 1x48 h VAL 55 CO 0.10 0.00 -0.80 -0.89 -1.23 0.00 0.00 177.57 174.75 1x48 s THR 56 N -3.25 1.00 0.23 7.19 2.01 -1.26 -4.32 115.64 117.23 1x48 s THR 56 Ca 0.04 -0.43 -0.09 0.00 0.31 0.00 0.00 61.69 61.53 1x48 s THR 56 Cb 0.09 -0.91 0.35 0.00 0.01 0.00 0.00 72.50 72.05 1x48 s THR 56 CO 0.72 0.31 1.35 1.17 -0.69 0.00 0.00 174.62 177.48 1x48 n LYS 57 N 3.61 -0.11 0.04 4.92 4.81 -1.26 -1.15 118.16 129.02 1x48 n LYS 57 Ca -0.21 1.35 -0.03 0.00 -0.87 0.00 0.00 58.31 58.54 1x48 n LYS 57 Cb 0.52 -2.01 -0.02 0.00 0.02 0.00 0.00 35.03 33.55 1x48 n LYS 57 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 1x48 h GLN 58 N 0.00 -0.16 -0.99 1.64 4.15 -1.96 0.14 115.11 117.94 1x48 h GLN 58 Ca 0.39 0.01 0.19 0.00 0.77 0.00 0.00 58.65 60.01 1x48 h GLN 58 Cb 0.60 0.04 -0.18 0.00 0.21 0.00 0.00 27.48 28.15 1x48 h GLN 58 CO -0.88 -0.11 -0.28 1.49 -1.93 0.00 0.00 178.83 177.12 1x48 h GLU 59 N -0.17 -0.00 0.12 1.69 4.81 -1.56 -1.31 114.58 118.16 1x48 h GLU 59 Ca -0.01 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1x48 h GLU 59 Cb 0.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1x48 h GLU 59 CO -0.04 -0.00 -0.06 0.00 -0.73 0.00 0.00 179.01 178.18 1x48 h ALA 60 N 1.85 -0.99 -0.63 2.92 0.00 -0.93 -3.01 119.26 118.48 1x48 h ALA 60 Ca 0.45 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.38 1x48 h ALA 60 Cb 0.69 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 1x48 h ALA 60 CO -1.01 -0.98 -0.37 1.17 0.00 0.00 0.00 179.25 178.06 1x48 n LYS 61 N -2.53 -0.28 0.00 0.00 4.81 0.46 -1.21 118.16 119.42 1x48 n LYS 61 Ca -0.02 1.05 0.00 0.00 -0.87 0.00 0.00 58.31 58.47 1x48 n LYS 61 Cb 0.07 -1.55 0.00 0.00 0.02 0.00 0.00 35.03 33.57 1x48 n LYS 61 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1x48 n GLN 62 N -4.61 0.00 -0.32 1.64 6.02 -0.57 0.17 117.38 119.71 1x48 n GLN 62 Ca 0.01 0.93 0.20 0.00 -0.01 0.00 0.00 57.00 58.13 1x48 n GLN 62 Cb 0.16 -1.41 0.39 0.00 1.02 0.00 0.00 30.24 30.41 1x48 n GLN 62 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1x48 h LEU 63 N 0.00 0.00 -1.06 1.08 3.38 -1.02 0.51 115.31 118.21 1x48 h LEU 63 Ca 0.00 0.24 0.37 0.00 0.09 0.00 0.00 57.88 58.58 1x48 h LEU 63 Cb 0.00 0.32 -0.16 0.00 0.09 0.00 0.00 40.66 40.91 1x48 h LEU 63 CO 0.00 -0.28 0.60 0.00 0.09 0.00 0.00 178.44 178.85 1x48 h ALA 64 N 1.91 2.14 0.19 1.53 0.00 0.64 0.17 119.26 125.82 1x48 h ALA 64 Ca 0.66 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.77 1x48 h ALA 64 Cb 1.50 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1x48 h ALA 64 CO -0.76 -0.81 -0.09 0.00 0.00 0.00 0.00 179.25 177.60 1x48 h ALA 65 N 1.86 -0.25 -0.92 0.00 0.00 0.17 -2.85 119.26 117.27 1x48 h ALA 65 Ca 0.78 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.61 1x48 h ALA 65 Cb 1.98 0.10 -0.12 0.00 0.00 0.00 0.00 17.79 19.75 1x48 h ALA 65 CO -0.63 -0.48 -0.53 1.17 0.00 0.00 0.00 179.25 178.78 1x48 n LYS 66 N -5.06 -0.39 -0.13 0.00 4.81 0.57 0.15 118.16 118.11 1x48 n LYS 66 Ca -0.09 1.40 0.07 0.00 -0.87 0.00 0.00 58.31 58.82 1x48 n LYS 66 Cb 0.23 -2.06 0.39 0.00 0.02 0.00 0.00 35.03 33.61 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 0.64 0.67 1.64 4.57 -1.57 -2.95 114.58 117.59 1x48 h GLU 67 Ca 0.17 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.28 1x48 h GLU 67 Cb 0.40 -0.14 0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1x48 h GLU 67 CO -0.87 0.43 -0.32 0.00 -1.18 0.00 0.00 179.01 177.06 1x48 h ALA 68 N 1.64 -0.99 -0.49 2.92 0.00 0.16 -1.94 119.26 120.56 1x48 h ALA 68 Ca 0.28 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.04 1x48 h ALA 68 Cb 0.25 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 1x48 h ALA 68 CO -0.09 -0.92 -0.29 0.98 0.00 0.00 0.00 179.25 178.93 1x48 n TYR 69 N -5.03 -0.22 0.06 0.00 9.36 0.82 0.20 117.16 122.36 1x48 n TYR 69 Ca -0.11 0.61 0.11 0.00 3.32 0.00 0.00 57.90 61.83 1x48 n TYR 69 Cb 0.35 -0.50 0.57 0.00 -0.63 0.00 0.00 39.34 39.14 1x48 n TYR 69 CO 0.00 0.00 0.00 1.96 0.22 0.00 0.00 176.86 179.04 1x48 h GLN 70 N 0.00 0.21 0.00 2.98 1.08 -1.62 0.55 115.11 118.30 1x48 h GLN 70 Ca 0.08 -0.01 -0.09 0.00 -1.45 0.00 0.00 58.65 57.17 1x48 h GLN 70 Cb 0.20 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 1x48 h GLN 70 CO -0.46 0.14 -0.44 -0.22 -0.95 0.00 0.00 178.83 176.89 1x48 h LYS 71 N 0.22 0.00 0.21 1.46 1.63 0.32 -2.87 116.57 117.53 1x48 h LYS 71 Ca 0.16 0.00 -0.32 0.00 -0.85 0.00 0.00 60.65 59.65 1x48 h LYS 71 Cb 0.38 0.00 0.03 0.00 -0.60 0.00 0.00 32.23 32.03 1x48 h LYS 71 CO -0.03 0.44 -1.39 -0.07 -3.45 0.00 0.00 179.45 174.96 1x48 h LEU 72 N 0.00 0.76 -1.52 5.20 3.38 0.25 0.41 115.31 123.78 1x48 h LEU 72 Ca -0.00 -0.79 -0.04 0.00 0.09 0.00 0.00 57.88 57.13 1x48 h LEU 72 Cb 0.95 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1x48 h LEU 72 CO 0.06 1.61 -0.17 -0.07 0.09 0.00 0.00 178.44 179.96 1x48 h LEU 73 N 0.15 0.09 0.01 1.67 3.38 -1.25 -2.66 115.31 116.71 1x48 h LEU 73 Ca -0.22 -0.02 -0.38 0.00 0.09 0.00 0.00 57.88 57.35 1x48 h LEU 73 Cb 2.08 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 42.75 1x48 h LEU 73 CO 0.25 0.27 -2.13 0.29 0.09 0.00 0.00 178.44 177.22 1x48 n LYS 74 N -4.29 0.61 -3.88 1.13 4.01 -1.09 -4.78 118.16 109.87 1x48 n LYS 74 Ca -0.02 0.33 -0.29 0.00 -0.51 0.00 0.00 58.31 57.82 1x48 n LYS 74 Cb 0.26 -1.59 -0.13 0.00 -0.51 0.00 0.00 35.03 33.06 1x48 n LYS 74 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1x48 s SER 75 N -7.13 4.28 1.02 4.39 0.01 0.14 -5.10 113.70 111.31 1x48 s SER 75 Ca -0.34 -3.26 -0.13 0.00 1.31 0.00 0.00 55.95 53.53 1x48 s SER 75 Cb 0.11 -1.50 0.20 0.00 0.21 0.00 0.00 66.02 65.03 1x48 s SER 75 CO 0.56 -0.18 1.09 -2.16 0.41 0.00 0.00 173.24 172.97 1x48 s PRO 76 N -0.60 0.29 0.00 12.44 0.04 -1.01 -4.14 135.00 142.02 1x48 s PRO 76 Ca 0.21 0.48 0.14 0.00 0.04 0.00 0.00 61.00 61.87 1x48 s PRO 76 Cb -0.17 -1.72 0.68 0.00 0.04 0.00 0.00 34.50 33.33 1x48 s PRO 76 CO -0.07 -2.82 1.43 -0.35 0.04 0.00 0.00 177.00 175.24 1x48 n PRO 77 N -4.23 0.11 -1.54 0.56 -0.04 -1.26 -4.67 135.00 123.93 1x48 n PRO 77 Ca 0.05 0.20 -0.14 0.00 -0.04 0.00 0.00 63.50 63.56 1x48 n PRO 77 Cb 0.57 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.43 1x48 n PRO 77 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1x48 n LYS 78 N -1.39 0.40 0.02 0.54 5.02 -1.26 -4.65 118.16 116.84 1x48 n LYS 78 Ca 0.05 -0.76 -0.00 0.00 -2.02 0.00 0.00 58.31 55.58 1x48 n LYS 78 Cb 0.14 -3.17 -0.09 0.00 -0.02 0.00 0.00 35.03 31.89 1x48 n LYS 78 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1x48 n THR 79 N 8.14 1.13 -0.01 -0.18 5.66 -1.26 -4.32 114.28 123.43 1x48 n THR 79 Ca 0.49 -0.69 -0.13 0.00 -3.05 0.00 0.00 64.05 60.67 1x48 n THR 79 Cb 0.38 -0.67 -0.10 0.00 -1.55 0.00 0.00 70.33 68.39 1x48 n THR 79 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x48 h ALA 80 N 1.43 -0.05 0.00 1.79 0.00 -2.00 -3.49 119.26 116.93 1x48 h ALA 80 Ca -0.19 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1x48 h ALA 80 Cb 1.60 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1x48 h ALA 80 CO 0.04 -0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.50 1x48 n GLY 81 N 0.65 4.17 3.39 0.00 0.00 -1.26 -5.14 105.19 106.99 1x48 n GLY 81 Ca -0.09 -0.94 -0.29 0.00 0.00 0.00 0.00 46.02 44.70 1x48 n GLY 81 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1x48 n THR 82 N -1.55 0.00 -3.38 2.61 -2.24 -1.26 -5.04 114.28 103.42 1x48 n THR 82 Ca 0.00 -0.42 -0.21 0.00 -2.27 0.00 0.00 64.05 61.15 1x48 n THR 82 Cb 0.00 -0.88 0.02 0.00 -2.10 0.00 0.00 70.33 67.37 1x48 n THR 82 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1x48 s SER 83 N -2.24 5.03 0.07 3.42 1.04 -1.26 -5.14 113.70 114.61 1x48 s SER 83 Ca 0.65 -0.88 0.07 0.00 0.48 0.00 0.00 55.95 56.27 1x48 s SER 83 Cb -0.21 0.03 -0.03 0.00 0.10 0.00 0.00 66.02 65.91 1x48 s SER 83 CO 0.65 -1.06 -0.20 -0.83 0.98 0.00 0.00 173.24 172.78 1x48 s GLY 84 N -4.41 1.12 0.06 7.32 0.00 -1.26 -5.11 107.32 105.04 1x48 s GLY 84 Ca 0.50 -1.10 -0.31 0.00 0.00 0.00 0.00 44.72 43.81 1x48 s GLY 84 CO 0.31 -1.07 1.40 2.56 0.00 0.00 0.00 173.10 176.30 1x48 s PRO 85 N -1.47 4.30 -1.63 2.90 0.04 -1.26 -3.30 135.00 134.58 1x48 s PRO 85 Ca 0.06 2.03 -0.10 0.00 0.04 0.00 0.00 61.00 63.03 1x48 s PRO 85 Cb -0.09 -3.41 0.10 0.00 0.04 0.00 0.00 34.50 31.13 1x48 s PRO 85 CO 0.03 -0.50 0.45 -1.13 0.04 0.00 0.00 177.00 175.89 1x48 n SER 86 N 4.64 -1.17 -0.01 6.66 3.41 -1.26 -4.81 113.62 121.09 1x48 n SER 86 Ca 0.12 -1.13 -0.02 0.00 -0.26 0.00 0.00 58.87 57.58 1x48 n SER 86 Cb 0.43 -2.29 -0.01 0.00 -0.26 0.00 0.00 64.21 62.08 1x48 n SER 86 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x48 n SER 87 N -2.76 2.20 0.00 4.04 2.88 -1.21 -5.33 113.62 113.44 1x48 n SER 87 Ca -0.11 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1x48 n SER 87 Cb 0.58 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 1x48 n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42