#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 2.85 0.39 1.61 1.04 -1.26 -5.15 113.70 113.18 1x48 s SER 2 Ca 0.00 -1.26 -0.13 0.00 0.48 0.00 0.00 55.95 55.04 1x48 s SER 2 Cb 0.00 -0.18 -0.07 0.00 0.10 0.00 0.00 66.02 65.86 1x48 s SER 2 CO 0.00 -0.42 0.78 -0.94 0.98 0.00 0.00 173.24 173.64 1x48 s SER 3 N -3.50 6.62 0.00 7.02 1.04 -1.26 -5.04 113.70 118.58 1x48 s SER 3 Ca 0.32 1.23 0.00 0.00 0.48 0.00 0.00 55.95 57.98 1x48 s SER 3 Cb 0.06 -2.36 0.00 0.00 0.10 0.00 0.00 66.02 63.82 1x48 s SER 3 CO 0.14 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.61 1x48 n GLY 4 N -1.02 3.63 3.70 7.32 0.00 -1.26 -5.13 105.19 112.42 1x48 n GLY 4 Ca 0.03 -1.17 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 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 5.39 0.23 1.61 0.01 -1.26 -5.11 113.70 114.56 1x48 s SER 5 Ca 0.00 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.43 1x48 s SER 5 Cb 0.00 -1.59 -0.04 0.00 0.21 0.00 0.00 66.02 64.60 1x48 s SER 5 CO 0.00 0.36 0.13 -0.44 0.41 0.00 0.00 173.24 173.70 1x48 s SER 6 N -0.78 0.57 -0.99 2.44 0.01 -1.26 -5.09 113.70 108.61 1x48 s SER 6 Ca 0.12 -1.41 -0.02 0.00 1.31 0.00 0.00 55.95 55.95 1x48 s SER 6 Cb -0.12 0.33 0.30 0.00 0.21 0.00 0.00 66.02 66.75 1x48 s SER 6 CO 0.02 -0.82 1.42 0.61 0.41 0.00 0.00 173.24 174.88 1x48 n GLY 7 N -0.35 5.31 0.23 3.44 0.00 -1.26 -4.79 105.19 107.77 1x48 n GLY 7 Ca 0.02 -2.68 0.07 0.00 0.00 0.00 0.00 46.02 43.43 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 4.95 0.00 -0.79 1.61 -1.99 -1.96 -3.04 116.97 115.75 1x48 h TYR 8 Ca 0.25 0.00 0.31 0.00 2.00 0.00 0.00 58.73 61.30 1x48 h TYR 8 Cb 0.56 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 39.17 1x48 h TYR 8 CO 1.02 0.16 0.45 -0.89 -0.00 0.00 0.00 178.16 178.90 1x48 n ILE 9 N -4.22 -0.28 -0.01 -2.88 2.08 -1.26 0.24 119.36 113.04 1x48 n ILE 9 Ca -0.02 1.43 -0.03 0.00 0.56 0.00 0.00 62.75 64.69 1x48 n ILE 9 Cb 0.23 -2.34 -0.12 0.00 -0.75 0.00 0.00 39.64 36.66 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 -1.23 -1.09 0.43 7.39 0.00 -1.15 -4.43 105.19 105.11 1x48 n GLY 10 Ca 0.28 -0.19 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.73 -0.73 0.99 3.38 0.31 -2.03 115.31 115.50 1x48 h LEU 11 Ca -0.26 0.22 0.09 0.00 0.09 0.00 0.00 57.88 58.02 1x48 h LEU 11 Cb 1.76 0.70 -0.11 0.00 0.09 0.00 0.00 40.66 43.10 1x48 h LEU 11 CO 0.04 -0.41 -0.50 0.58 0.09 0.00 0.00 178.44 178.25 1x48 h VAL 12 N -0.43 0.03 -0.98 1.22 2.07 -1.73 0.45 116.25 116.88 1x48 h VAL 12 Ca 0.06 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.75 1x48 h VAL 12 Cb 0.59 0.03 -0.17 0.00 -1.52 0.00 0.00 31.29 30.21 1x48 h VAL 12 CO -0.52 0.00 -0.30 0.59 0.02 0.00 0.00 177.57 177.35 1x48 n ASN 13 N -5.36 -0.47 0.11 0.57 3.02 -0.79 -0.59 115.26 111.75 1x48 n ASN 13 Ca 0.02 1.70 -0.05 0.00 -0.03 0.00 0.00 54.58 56.21 1x48 n ASN 13 Cb 0.33 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 39.01 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 -0.30 -0.69 6.41 0.02 -0.68 -3.24 113.55 115.08 1x48 h SER 14 Ca 0.42 0.01 0.13 0.00 -0.84 0.00 0.00 61.79 61.51 1x48 h SER 14 Cb 0.66 0.08 -0.13 0.00 0.14 0.00 0.00 62.40 63.15 1x48 h SER 14 CO -1.00 0.04 -0.20 0.33 -1.14 0.00 0.00 176.83 174.87 1x48 n PHE 15 N -4.34 0.19 0.05 3.45 -0.00 0.13 -0.45 117.46 116.49 1x48 n PHE 15 Ca -0.04 0.84 -0.06 0.00 -0.00 0.00 0.00 57.45 58.19 1x48 n PHE 15 Cb 0.14 -0.86 -0.04 0.00 -0.00 0.00 0.00 39.48 38.72 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 1.27 -0.75 -0.52 3.13 0.00 -0.95 0.14 119.26 121.57 1x48 h ALA 16 Ca 0.31 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.27 1x48 h ALA 16 Cb 0.48 0.57 -0.09 0.00 0.00 0.00 0.00 17.79 18.74 1x48 h ALA 16 CO -0.70 -0.79 -0.08 0.37 0.00 0.00 0.00 179.25 178.05 1x48 h GLN 17 N -0.29 0.04 -0.99 0.00 5.75 -0.78 0.13 115.11 118.97 1x48 h GLN 17 Ca -0.01 -0.00 0.14 0.00 -0.15 0.00 0.00 58.65 58.63 1x48 h GLN 17 Cb 0.28 -0.01 -0.09 0.00 1.07 0.00 0.00 27.48 28.73 1x48 h GLN 17 CO -0.09 0.03 0.62 0.87 -2.65 0.00 0.00 178.83 177.61 1x48 h LYS 18 N 0.04 0.86 -0.75 1.69 1.57 -0.54 0.33 116.57 119.77 1x48 h LYS 18 Ca 0.26 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1x48 h LYS 18 Cb 0.40 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.51 1x48 h LYS 18 CO -0.50 0.57 0.00 1.63 -0.57 0.00 0.00 179.45 180.58 1x48 n LYS 19 N -4.64 3.31 -3.86 3.15 4.01 0.46 -4.89 118.16 115.70 1x48 n LYS 19 Ca 0.20 -1.88 -0.30 0.00 -0.51 0.00 0.00 58.31 55.82 1x48 n LYS 19 Cb 0.43 -1.95 -0.03 0.00 -0.51 0.00 0.00 35.03 32.98 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 0.38 -2.79 -2.90 1.97 5.02 0.12 -4.93 118.16 115.03 1x48 n LYS 20 Ca 0.17 0.33 -0.20 0.00 -2.02 0.00 0.00 58.31 56.59 1x48 n LYS 20 Cb 0.81 -5.01 0.05 0.00 -0.02 0.00 0.00 35.03 30.86 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 -6.82 3.25 -0.20 -0.35 1.43 0.22 -4.99 118.68 111.22 1x48 s LEU 21 Ca 0.59 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 1x48 s LEU 21 Cb -0.33 -2.12 0.02 0.00 0.03 0.00 0.00 46.19 43.79 1x48 s LEU 21 CO 0.73 -1.26 -0.16 -0.44 0.23 0.00 0.00 176.35 175.45 1x48 s SER 22 N -4.56 3.54 -0.18 2.29 0.01 -1.26 -4.43 113.70 109.10 1x48 s SER 22 Ca 0.60 -0.73 -0.08 0.00 1.31 0.00 0.00 55.95 57.05 1x48 s SER 22 Cb -0.07 -1.54 -0.04 0.00 0.21 0.00 0.00 66.02 64.58 1x48 s SER 22 CO 0.38 -0.04 0.08 0.54 0.41 0.00 0.00 173.24 174.62 1x48 s VAL 23 N 1.29 4.98 0.08 3.43 0.11 -1.26 -2.42 120.40 126.61 1x48 s VAL 23 Ca 0.03 0.03 0.07 0.00 -2.93 0.00 0.00 61.98 59.19 1x48 s VAL 23 Cb -0.14 -3.25 -0.03 0.00 -1.53 0.00 0.00 36.38 31.43 1x48 s VAL 23 CO -0.10 0.46 -0.20 0.20 -3.33 0.00 0.00 175.10 172.14 1x48 s ASN 24 N 0.31 2.36 -0.21 3.54 -0.87 0.59 -4.99 114.94 115.66 1x48 s ASN 24 Ca 0.05 -0.62 -0.01 0.00 -1.57 0.00 0.00 52.86 50.71 1x48 s ASN 24 Cb -0.12 -0.14 0.06 0.00 -0.02 0.00 0.00 41.25 41.03 1x48 s ASN 24 CO -0.00 0.07 -0.02 -0.31 -2.57 0.00 0.00 177.10 174.27 1x48 s TYR 25 N -1.06 1.77 0.04 2.20 2.02 -1.26 -0.80 117.35 120.26 1x48 s TYR 25 Ca 0.05 -1.33 -0.19 0.00 -0.37 0.00 0.00 57.07 55.23 1x48 s TYR 25 Cb -0.10 -1.33 -0.06 0.00 -0.40 0.00 0.00 41.96 40.08 1x48 s TYR 25 CO 0.03 -0.69 0.57 -2.00 -1.57 0.00 0.00 175.55 171.89 1x48 s GLU 26 N 1.61 4.23 -0.01 -0.62 2.12 -0.12 -4.86 118.70 121.04 1x48 s GLU 26 Ca -0.03 0.72 0.02 0.00 0.36 0.00 0.00 54.97 56.04 1x48 s GLU 26 Cb -0.18 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 30.90 1x48 s GLU 26 CO -0.07 0.54 -0.06 -1.14 -0.54 0.00 0.00 175.26 174.00 1x48 s GLN 27 N -0.78 2.63 0.37 4.30 0.74 -1.26 -1.23 119.66 124.43 1x48 s GLN 27 Ca 0.29 -0.67 0.07 0.00 0.05 0.00 0.00 55.36 55.11 1x48 s GLN 27 Cb -0.19 -2.55 -0.02 0.00 1.10 0.00 0.00 33.01 31.36 1x48 s GLN 27 CO 0.18 0.62 0.39 0.00 -0.55 0.00 0.00 175.29 175.93 1x48 s GLU 29 N -4.12 1.18 0.00 0.00 8.01 -1.26 -4.68 118.70 117.83 1x48 s GLU 29 Ca 0.46 -1.32 0.16 0.00 0.01 0.00 0.00 54.97 54.27 1x48 s GLU 29 Cb -0.06 -1.22 0.93 0.00 -4.31 0.00 0.00 34.13 29.47 1x48 s GLU 29 CO 0.29 0.25 1.35 -0.35 0.01 0.00 0.00 175.26 176.81 1x48 n PRO 30 N 0.48 0.48 -2.33 0.39 -0.04 -1.26 -4.83 135.00 127.89 1x48 n PRO 30 Ca -0.15 0.01 -0.17 0.00 -0.04 0.00 0.00 63.50 63.15 1x48 n PRO 30 Cb 0.56 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.01 -4.91 -3.62 3.54 5.03 -1.26 -2.65 115.26 110.38 1x48 n ASN 31 Ca 0.12 -0.02 -0.21 0.00 0.87 0.00 0.00 54.58 55.34 1x48 n ASN 31 Cb 0.06 -4.01 0.05 0.00 -1.02 0.00 0.00 39.78 34.86 1x48 n ASN 31 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1x48 n SER 32 N -1.18 -1.92 -3.53 6.41 7.64 -1.26 -4.98 113.62 114.80 1x48 n SER 32 Ca -0.19 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 58.95 1x48 n SER 32 Cb 0.65 -4.45 -0.05 0.00 -1.01 0.00 0.00 64.21 59.34 1x48 n SER 32 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1x48 s GLU 33 N -5.83 0.27 0.72 1.43 -1.05 -1.08 -5.17 118.70 107.99 1x48 s GLU 33 Ca 0.07 0.55 -0.11 0.00 -0.15 0.00 0.00 54.97 55.32 1x48 s GLU 33 Cb -0.03 0.19 0.03 0.00 -0.44 0.00 0.00 34.13 33.87 1x48 s GLU 33 CO 0.78 -0.07 1.08 -0.51 0.95 0.00 0.00 175.26 177.49 1x48 s LEU 34 N 1.73 3.14 1.18 1.83 2.01 -1.26 -4.56 118.68 122.74 1x48 s LEU 34 Ca -0.06 1.77 -0.18 0.00 0.01 0.00 0.00 54.13 55.66 1x48 s LEU 34 Cb -0.04 -4.52 0.28 0.00 0.01 0.00 0.00 46.19 41.92 1x48 s LEU 34 CO -0.15 -1.72 1.11 -2.16 1.01 0.00 0.00 176.35 174.43 1x48 s PRO 35 N -4.81 -1.04 -0.10 1.29 0.04 -1.26 -5.16 135.00 123.96 1x48 s PRO 35 Ca 0.61 0.00 0.02 0.00 0.04 0.00 0.00 61.00 61.67 1x48 s PRO 35 Cb -0.16 -1.61 0.01 0.00 0.04 0.00 0.00 34.50 32.78 1x48 s PRO 35 CO 0.53 -3.60 -0.16 1.14 0.04 0.00 0.00 177.00 174.94 1x48 s GLN 36 N -5.35 2.24 0.09 4.56 1.03 -1.26 -4.89 119.66 116.08 1x48 s GLN 36 Ca 0.70 -0.58 0.06 0.00 0.04 0.00 0.00 55.36 55.58 1x48 s GLN 36 Cb -0.11 -1.86 -0.03 0.00 0.03 0.00 0.00 33.01 31.04 1x48 s GLN 36 CO 0.56 -0.02 -0.15 0.50 -2.54 0.00 0.00 175.29 173.64 1x48 s ARG 37 N 0.85 0.91 -0.29 9.60 3.52 -1.26 -5.03 118.95 127.25 1x48 s ARG 37 Ca -0.09 -1.05 -0.11 0.00 -0.13 0.00 0.00 55.73 54.35 1x48 s ARG 37 Cb -0.15 -0.92 -0.04 0.00 -1.56 0.00 0.00 34.95 32.28 1x48 s ARG 37 CO 0.01 0.20 0.18 -0.06 -0.81 0.00 0.00 175.30 174.81 1x48 s PHE 38 N -1.48 3.20 -0.11 5.12 0.08 -0.60 -4.67 117.98 119.52 1x48 s PHE 38 Ca 0.02 -0.11 0.03 0.00 0.12 0.00 0.00 56.93 56.99 1x48 s PHE 38 Cb -0.09 -2.37 0.01 0.00 -0.57 0.00 0.00 43.02 40.00 1x48 s PHE 38 CO 0.03 -0.26 -0.20 0.42 -0.10 0.00 0.00 175.22 175.10 1x48 s ILE 39 N 1.71 1.83 -0.12 0.64 1.01 -1.26 -0.77 121.20 124.24 1x48 s ILE 39 Ca 0.06 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.87 1x48 s ILE 39 Cb -0.16 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.71 1x48 s ILE 39 CO 0.09 0.51 -0.16 0.00 0.00 0.00 0.00 174.94 175.37 1x48 s LYS 41 N 1.03 3.81 -0.28 0.00 1.02 -0.37 0.21 119.74 125.17 1x48 s LYS 41 Ca -0.05 -0.43 -0.14 0.00 0.02 0.00 0.00 55.97 55.37 1x48 s LYS 41 Cb -0.15 -3.09 -0.04 0.00 -0.52 0.00 0.00 37.83 34.04 1x48 s LYS 41 CO -0.03 0.22 0.33 0.00 -0.92 0.00 0.00 175.35 174.95 1x48 s LYS 43 N 1.99 1.85 -0.29 0.00 1.02 0.02 -2.16 119.74 122.17 1x48 s LYS 43 Ca 0.13 -0.80 0.03 0.00 0.02 0.00 0.00 55.97 55.34 1x48 s LYS 43 Cb -0.16 -1.77 0.08 0.00 -0.52 0.00 0.00 37.83 35.46 1x48 s LYS 43 CO 0.10 0.47 -0.03 0.42 -0.92 0.00 0.00 175.35 175.40 1x48 s ILE 44 N -0.50 2.03 -0.62 2.17 -1.09 0.10 -0.30 121.20 123.00 1x48 s ILE 44 Ca 0.08 -1.82 -0.02 0.00 -2.23 0.00 0.00 60.65 56.65 1x48 s ILE 44 Cb -0.09 -2.32 -0.03 0.00 -1.58 0.00 0.00 42.46 38.45 1x48 s ILE 44 CO -0.01 -0.29 0.56 0.61 -1.23 0.00 0.00 174.94 174.58 1x48 n GLY 45 N 4.43 -0.71 2.02 6.18 0.00 -1.02 -2.92 105.19 113.18 1x48 n GLY 45 Ca -0.06 0.29 -0.08 0.00 0.00 0.00 0.00 46.02 46.17 1x48 n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x48 n GLN 46 N -2.14 -1.84 -4.84 1.61 10.64 -1.26 -4.90 117.38 114.66 1x48 n GLN 46 Ca -0.03 0.41 -0.26 0.00 -1.83 0.00 0.00 57.00 55.30 1x48 n GLN 46 Cb 0.54 -4.76 -0.15 0.00 -0.86 0.00 0.00 30.24 25.01 1x48 n GLN 46 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1x48 s THR 47 N -2.01 1.54 -0.12 -0.39 2.01 -1.15 -5.12 115.64 110.40 1x48 s THR 47 Ca 0.00 -0.92 -0.28 0.00 0.31 0.00 0.00 61.69 60.80 1x48 s THR 47 Cb 0.00 -1.30 -0.01 0.00 0.01 0.00 0.00 72.50 71.20 1x48 s THR 47 CO 0.00 0.36 0.94 -0.32 -0.69 0.00 0.00 174.62 174.91 1x48 s MET 48 N -0.66 4.39 0.03 4.92 1.75 -1.26 -0.72 119.30 127.74 1x48 s MET 48 Ca 0.07 1.26 -0.04 0.00 -1.25 0.00 0.00 55.69 55.73 1x48 s MET 48 Cb -0.08 -3.55 -0.01 0.00 2.84 0.00 0.00 34.83 34.03 1x48 s MET 48 CO -0.00 -0.30 -0.08 0.66 -0.65 0.00 0.00 175.02 174.65 1x48 n TYR 49 N 5.01 0.00 -4.12 4.11 4.02 -1.11 -4.92 117.16 120.15 1x48 n TYR 49 Ca 0.07 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.86 1x48 n TYR 49 Cb 0.49 -0.11 -0.09 0.00 -0.02 0.00 0.00 39.34 39.61 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 -4.12 0.95 -0.16 2.72 0.00 -0.92 -4.39 107.32 101.42 1x48 s GLY 50 Ca -0.06 -1.40 -0.04 0.00 0.00 0.00 0.00 44.72 43.22 1x48 s GLY 50 CO 0.09 -1.27 0.19 -1.59 0.00 0.00 0.00 173.10 170.52 1x48 s THR 51 N -4.05 -0.28 0.00 0.90 2.01 -1.26 -0.63 115.64 112.33 1x48 s THR 51 Ca 0.25 0.05 -0.01 0.00 0.31 0.00 0.00 61.69 62.29 1x48 s THR 51 Cb 0.07 -0.53 -0.04 0.00 0.01 0.00 0.00 72.50 72.01 1x48 s THR 51 CO 0.03 -0.08 0.12 -0.83 -0.69 0.00 0.00 174.62 173.16 1x48 s GLY 52 N 2.30 2.08 -0.05 4.40 0.00 0.13 -4.71 107.32 111.48 1x48 s GLY 52 Ca 0.05 -0.84 -0.02 0.00 0.00 0.00 0.00 44.72 43.90 1x48 s GLY 52 CO -0.09 -0.73 0.08 -1.35 0.00 0.00 0.00 173.10 171.00 1x48 s SER 53 N -1.88 0.81 0.31 1.64 1.04 -1.26 -0.26 113.70 114.10 1x48 s SER 53 Ca 0.25 0.14 -0.03 0.00 0.48 0.00 0.00 55.95 56.79 1x48 s SER 53 Cb -0.12 -0.02 0.01 0.00 0.10 0.00 0.00 66.02 65.99 1x48 s SER 53 CO 0.17 -0.22 0.46 0.61 0.98 0.00 0.00 173.24 175.23 1x48 n GLY 54 N 5.06 2.10 0.19 7.32 0.00 0.05 -4.71 105.19 115.21 1x48 n GLY 54 Ca -0.09 -1.54 0.12 0.00 0.00 0.00 0.00 46.02 44.51 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 1.89 0.00 -4.05 1.61 -1.51 -1.95 -1.60 116.25 110.64 1x48 h VAL 55 Ca -0.24 -0.84 -0.40 0.00 -1.23 0.00 0.00 66.70 63.98 1x48 h VAL 55 Cb 1.05 1.84 -0.28 0.00 -2.13 0.00 0.00 31.29 31.77 1x48 h VAL 55 CO 0.33 0.00 -0.78 -0.89 -1.23 0.00 0.00 177.57 175.00 1x48 s THR 56 N -3.20 0.80 0.30 7.19 2.01 -1.26 -4.45 115.64 117.03 1x48 s THR 56 Ca 0.08 -0.54 0.02 0.00 0.31 0.00 0.00 61.69 61.55 1x48 s THR 56 Cb 0.07 -0.69 0.36 0.00 0.01 0.00 0.00 72.50 72.25 1x48 s THR 56 CO 0.64 0.15 1.60 0.11 -0.69 0.00 0.00 174.62 176.43 1x48 h LYS 57 N 5.67 0.08 -0.29 4.92 1.79 -1.88 0.41 116.57 127.27 1x48 h LYS 57 Ca -0.32 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 1x48 h LYS 57 Cb 1.18 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.80 1x48 h LYS 57 CO 0.48 0.05 0.19 0.37 -1.08 0.00 0.00 179.45 179.47 1x48 h GLN 58 N 0.08 0.38 -0.38 3.15 5.75 -1.98 0.14 115.11 122.25 1x48 h GLN 58 Ca 0.58 -0.02 0.06 0.00 -0.15 0.00 0.00 58.65 59.12 1x48 h GLN 58 Cb 1.21 -0.09 -0.05 0.00 1.07 0.00 0.00 27.48 29.62 1x48 h GLN 58 CO -0.80 0.25 0.07 1.49 -2.65 0.00 0.00 178.83 177.19 1x48 h GLU 59 N 0.39 0.18 0.00 1.69 4.57 -0.61 -0.96 114.58 119.85 1x48 h GLU 59 Ca 0.11 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1x48 h GLU 59 Cb -0.05 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.50 1x48 h GLU 59 CO -0.02 0.12 0.00 0.00 -1.18 0.00 0.00 179.01 177.93 1x48 n ALA 60 N -2.44 -0.23 -0.25 2.92 0.00 -0.60 -2.60 120.51 117.30 1x48 n ALA 60 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.57 1x48 n ALA 60 Cb 0.18 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.85 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 -1.81 -0.06 0.00 0.00 4.81 0.46 -1.04 118.16 120.51 1x48 n LYS 61 Ca 0.00 1.09 0.00 0.00 -0.87 0.00 0.00 58.31 58.53 1x48 n LYS 61 Cb 0.00 -1.74 0.00 0.00 0.02 0.00 0.00 35.03 33.31 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 -5.00 0.00 -0.36 1.64 6.02 -0.36 -3.13 117.38 116.18 1x48 n GLN 62 Ca 0.17 0.47 0.00 0.00 -0.01 0.00 0.00 57.00 57.63 1x48 n GLN 62 Cb 0.57 -1.40 0.05 0.00 1.02 0.00 0.00 30.24 30.49 1x48 n GLN 62 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1x48 n LEU 63 N -1.82 -0.58 -0.31 1.08 4.77 -0.21 -0.67 117.00 119.28 1x48 n LEU 63 Ca 0.00 1.66 -0.06 0.00 -0.03 0.00 0.00 56.01 57.58 1x48 n LEU 63 Cb 0.00 -0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 40.64 1x48 n LEU 63 CO 0.00 -1.51 0.38 0.00 -1.33 0.00 0.00 177.39 174.93 1x48 n ALA 64 N -3.52 -0.37 -0.20 -1.18 0.00 -0.49 0.50 120.51 115.25 1x48 n ALA 64 Ca 0.11 0.67 -0.05 0.00 0.00 0.00 0.00 53.44 54.17 1x48 n ALA 64 Cb 0.40 -0.17 0.01 0.00 0.00 0.00 0.00 19.45 19.69 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 0.57 0.01 -0.82 0.00 0.00 -0.84 0.26 119.26 118.44 1x48 h ALA 65 Ca 0.16 0.17 0.18 0.00 0.00 0.00 0.00 54.91 55.42 1x48 h ALA 65 Cb 0.35 0.75 -0.15 0.00 0.00 0.00 0.00 17.79 18.73 1x48 h ALA 65 CO -0.72 -0.65 -0.14 -0.22 0.00 0.00 0.00 179.25 177.53 1x48 h LYS 66 N -0.15 0.02 0.48 0.00 3.64 0.04 0.13 116.57 120.74 1x48 h LYS 66 Ca 0.24 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 1x48 h LYS 66 Cb 0.54 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1x48 h LYS 66 CO -0.67 0.01 -0.23 0.93 -2.27 0.00 0.00 179.45 177.22 1x48 h GLU 67 N 0.02 -0.63 -0.89 1.90 5.08 -0.71 -2.87 114.58 116.48 1x48 h GLU 67 Ca 0.42 0.04 0.22 0.00 -1.00 0.00 0.00 59.36 59.04 1x48 h GLU 67 Cb 0.69 0.14 -0.13 0.00 0.50 0.00 0.00 28.75 29.96 1x48 h GLU 67 CO -0.81 -0.35 0.38 0.00 -1.00 0.00 0.00 179.01 177.23 1x48 h ALA 68 N -0.38 1.42 0.55 3.43 0.00 -0.06 -1.83 119.26 122.39 1x48 h ALA 68 Ca -0.07 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1x48 h ALA 68 Cb 0.57 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1x48 h ALA 68 CO 0.11 -0.35 -0.48 -0.92 0.00 0.00 0.00 179.25 177.61 1x48 h TYR 69 N 0.39 -1.33 -0.95 0.00 3.20 -0.67 -2.06 116.97 115.55 1x48 h TYR 69 Ca 0.56 0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.57 1x48 h TYR 69 Cb 1.06 0.51 -0.15 0.00 1.54 0.00 0.00 36.73 39.69 1x48 h TYR 69 CO -0.14 -0.66 -0.41 1.96 -1.64 0.00 0.00 178.16 177.27 1x48 h GLN 70 N -1.01 -0.02 -0.26 1.82 4.20 -1.12 0.19 115.11 118.91 1x48 h GLN 70 Ca -0.07 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.70 1x48 h GLN 70 Cb 0.86 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.58 1x48 h GLN 70 CO -0.02 -0.01 -0.19 -0.22 -0.67 0.00 0.00 178.83 177.71 1x48 h LYS 71 N -0.02 -0.18 -0.66 1.46 3.64 -1.29 -1.66 116.57 117.87 1x48 h LYS 71 Ca 0.31 0.01 0.14 0.00 -1.27 0.00 0.00 60.65 59.84 1x48 h LYS 71 Cb 0.57 0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.33 1x48 h LYS 71 CO -0.95 -0.12 0.06 -0.07 -2.27 0.00 0.00 179.45 176.10 1x48 h LEU 72 N -0.18 -0.18 -1.57 5.20 3.38 0.06 0.34 115.31 122.37 1x48 h LEU 72 Ca 0.14 0.15 0.11 0.00 0.09 0.00 0.00 57.88 58.37 1x48 h LEU 72 Cb 0.40 0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 1x48 h LEU 72 CO -0.37 -0.09 0.45 -0.07 0.09 0.00 0.00 178.44 178.46 1x48 h LEU 73 N 0.17 0.42 0.06 1.67 3.38 -0.33 -0.83 115.31 119.86 1x48 h LEU 73 Ca 0.35 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.33 1x48 h LEU 73 Cb 0.58 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1x48 h LEU 73 CO -0.52 0.25 -0.03 0.11 0.09 0.00 0.00 178.44 178.34 1x48 h LYS 74 N 0.47 -0.07 -3.00 1.13 1.79 -0.07 -3.42 116.57 113.39 1x48 h LYS 74 Ca 0.32 0.01 -0.62 0.00 -2.18 0.00 0.00 60.65 58.18 1x48 h LYS 74 Cb 0.61 0.02 -0.40 0.00 -1.58 0.00 0.00 32.23 30.87 1x48 h LYS 74 CO -0.10 0.24 -0.71 -1.12 -1.08 0.00 0.00 179.45 176.69 1x48 s SER 75 N -5.65 3.77 0.98 0.86 0.01 0.51 -5.12 113.70 109.06 1x48 s SER 75 Ca -0.07 -3.07 -0.12 0.00 1.31 0.00 0.00 55.95 54.00 1x48 s SER 75 Cb -0.01 -1.21 0.18 0.00 0.21 0.00 0.00 66.02 65.19 1x48 s SER 75 CO 0.25 -0.20 1.09 -2.16 0.41 0.00 0.00 173.24 172.64 1x48 s PRO 76 N -0.27 0.57 0.58 12.44 0.04 -0.34 -4.51 135.00 143.52 1x48 s PRO 76 Ca 0.21 0.58 -0.18 0.00 0.04 0.00 0.00 61.00 61.66 1x48 s PRO 76 Cb -0.16 -1.75 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 1x48 s PRO 76 CO -0.07 -2.65 1.12 -1.25 0.04 0.00 0.00 177.00 174.19 1x48 s PRO 77 N -4.95 3.17 0.09 0.56 0.04 -1.26 -5.07 135.00 127.58 1x48 s PRO 77 Ca 0.65 1.54 0.06 0.00 0.04 0.00 0.00 61.00 63.29 1x48 s PRO 77 Cb -0.19 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 1x48 s PRO 77 CO 0.58 -0.99 -0.17 0.15 0.04 0.00 0.00 177.00 176.61 1x48 s LYS 78 N -3.56 0.98 -0.03 4.56 1.02 -1.26 -5.15 119.74 116.30 1x48 s LYS 78 Ca 0.71 -1.09 0.07 0.00 0.02 0.00 0.00 55.97 55.68 1x48 s LYS 78 Cb -0.23 -1.06 -0.02 0.00 -0.52 0.00 0.00 37.83 36.01 1x48 s LYS 78 CO 0.32 0.23 -0.23 -0.08 -0.92 0.00 0.00 175.35 174.67 1x48 s THR 79 N -1.40 1.85 -0.15 2.17 -1.32 -1.26 -5.06 115.64 110.49 1x48 s THR 79 Ca 0.03 -0.99 -0.10 0.00 -1.21 0.00 0.00 61.69 59.42 1x48 s THR 79 Cb -0.09 -1.55 -0.05 0.00 -1.51 0.00 0.00 72.50 69.30 1x48 s THR 79 CO 0.03 0.52 -0.12 0.00 -2.21 0.00 0.00 174.62 172.85 1x48 h ALA 80 N 5.71 0.03 0.00 11.08 0.00 -2.08 -3.47 119.26 130.54 1x48 h ALA 80 Ca -0.39 -0.56 -0.15 0.00 0.00 0.00 0.00 54.91 53.81 1x48 h ALA 80 Cb 1.14 0.50 -0.13 0.00 0.00 0.00 0.00 17.79 19.30 1x48 h ALA 80 CO 0.47 0.50 -0.22 0.41 0.00 0.00 0.00 179.25 180.41 1x48 n GLY 81 N 1.61 -0.71 3.43 0.00 0.00 -1.26 -5.13 105.19 103.12 1x48 n GLY 81 Ca -0.09 0.53 -0.35 0.00 0.00 0.00 0.00 46.02 46.11 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 0.29 3.82 -0.07 2.61 2.01 -1.26 -5.09 115.64 117.95 1x48 s THR 82 Ca 0.26 -0.36 -0.05 0.00 0.31 0.00 0.00 61.69 61.85 1x48 s THR 82 Cb 0.25 -2.72 0.03 0.00 0.01 0.00 0.00 72.50 70.07 1x48 s THR 82 CO -0.15 0.44 0.17 -0.55 -0.69 0.00 0.00 174.62 173.84 1x48 s SER 83 N 0.98 -0.17 0.00 3.53 0.15 -1.26 -5.15 113.70 111.79 1x48 s SER 83 Ca 0.01 0.35 0.00 0.00 0.70 0.00 0.00 55.95 57.01 1x48 s SER 83 Cb -0.14 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1x48 s SER 83 CO 0.01 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1x48 n GLY 84 N 3.52 0.42 3.77 9.45 0.00 -1.26 -5.15 105.19 115.95 1x48 n GLY 84 Ca -0.18 -1.24 -0.34 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.99 3.15 0.82 1.61 0.04 -1.26 -5.03 135.00 132.34 1x48 s PRO 85 Ca 0.00 1.53 -0.11 0.00 0.04 0.00 0.00 61.00 62.46 1x48 s PRO 85 Cb 0.00 -1.98 0.08 0.00 0.04 0.00 0.00 34.50 32.64 1x48 s PRO 85 CO 0.00 -1.00 1.09 -1.54 0.04 0.00 0.00 177.00 175.60 1x48 s SER 86 N -2.07 4.25 -0.17 6.66 1.04 -1.26 -5.03 113.70 117.11 1x48 s SER 86 Ca 0.71 1.40 -0.16 0.00 0.48 0.00 0.00 55.95 58.38 1x48 s SER 86 Cb -0.23 -2.12 -0.05 0.00 0.10 0.00 0.00 66.02 63.72 1x48 s SER 86 CO 0.32 -2.14 -0.31 -0.24 0.98 0.00 0.00 173.24 171.86 1x48 n SER 87 N -3.55 1.89 0.00 7.02 2.88 -1.26 -5.33 113.62 115.27 1x48 n SER 87 Ca 0.07 0.40 0.00 0.00 -1.33 0.00 0.00 58.87 58.01 1x48 n SER 87 Cb 0.56 -0.77 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 1x48 n SER 87 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42