#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 0.04 -1.28 1.61 0.01 -1.26 -4.96 113.70 107.86 1x48 s SER 2 Ca 0.00 -1.00 -0.10 0.00 1.31 0.00 0.00 55.95 56.16 1x48 s SER 2 Cb 0.00 0.62 -0.00 0.00 0.21 0.00 0.00 66.02 66.85 1x48 s SER 2 CO 0.00 -1.21 0.61 -1.20 0.41 0.00 0.00 173.24 171.85 1x48 n SER 3 N -0.59 -2.63 0.00 2.44 7.64 -1.26 -4.68 113.62 114.55 1x48 n SER 3 Ca -0.02 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.86 1x48 n SER 3 Cb 0.62 -3.26 0.00 0.00 -1.01 0.00 0.00 64.21 60.56 1x48 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x48 n GLY 4 N -1.82 -0.37 0.35 0.23 0.00 -1.26 -3.91 105.19 98.42 1x48 n GLY 4 Ca -0.21 -1.52 0.13 0.00 0.00 0.00 0.00 46.02 44.41 1x48 n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1x48 h SER 5 N 0.00 0.30 0.00 1.61 0.02 -1.97 -3.35 113.55 110.17 1x48 h SER 5 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1x48 h SER 5 Cb 0.00 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1x48 h SER 5 CO 0.00 0.18 -0.63 -1.54 -1.14 0.00 0.00 176.83 173.70 1x48 n SER 6 N -4.46 1.39 0.00 3.07 3.41 -1.26 -4.94 113.62 110.83 1x48 n SER 6 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1x48 n SER 6 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 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 2.62 2.53 0.09 5.00 0.00 -1.25 -4.84 105.19 109.34 1x48 n GLY 7 Ca 0.00 -2.07 -0.06 0.00 0.00 0.00 0.00 46.02 43.89 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 0.00 0.07 -0.69 1.61 -1.99 -1.97 -3.30 116.97 110.70 1x48 h TYR 8 Ca 0.00 -0.04 0.28 0.00 2.00 0.00 0.00 58.73 60.96 1x48 h TYR 8 Cb 0.00 -0.01 -0.12 0.00 2.00 0.00 0.00 36.73 38.60 1x48 h TYR 8 CO 0.00 0.92 0.32 -0.89 -0.00 0.00 0.00 178.16 178.51 1x48 n ILE 9 N -3.52 -0.29 -0.05 -2.88 2.08 -1.26 0.18 119.36 113.63 1x48 n ILE 9 Ca -0.01 1.42 -0.09 0.00 0.56 0.00 0.00 62.75 64.62 1x48 n ILE 9 Cb 0.85 -2.27 -0.15 0.00 -0.75 0.00 0.00 39.64 37.32 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 -1.20 -0.98 0.39 7.39 0.00 -1.25 -4.42 105.19 105.12 1x48 n GLY 10 Ca 0.25 -0.13 -0.07 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.97 -0.89 0.10 0.99 4.77 0.47 -1.28 117.00 118.19 1x48 n LEU 11 Ca -0.22 1.70 -0.13 0.00 -0.03 0.00 0.00 56.01 57.33 1x48 n LEU 11 Cb 1.08 -0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 41.82 1x48 n LEU 11 CO 0.44 -1.43 0.51 0.58 -1.33 0.00 0.00 177.39 176.16 1x48 h VAL 12 N 0.00 0.00 -0.80 4.08 2.07 -1.74 0.65 116.25 120.52 1x48 h VAL 12 Ca 0.21 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.88 1x48 h VAL 12 Cb 0.45 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.08 1x48 h VAL 12 CO -0.92 0.00 -0.25 0.59 0.02 0.00 0.00 177.57 177.01 1x48 n ASN 13 N -4.81 -0.39 0.10 0.57 3.02 -0.40 0.22 115.26 113.57 1x48 n ASN 13 Ca -0.07 1.38 -0.04 0.00 -0.03 0.00 0.00 54.58 55.81 1x48 n ASN 13 Cb 0.33 -0.37 0.05 0.00 -0.61 0.00 0.00 39.78 39.18 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 0.06 0.42 6.41 4.64 -0.81 -3.23 113.55 121.03 1x48 h SER 14 Ca 0.33 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.59 1x48 h SER 14 Cb 0.53 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1x48 h SER 14 CO -0.81 0.81 -0.20 0.15 -0.87 0.00 0.00 176.83 175.91 1x48 h PHE 15 N 0.03 -0.52 -0.10 4.77 3.04 0.87 -2.09 116.94 122.93 1x48 h PHE 15 Ca -0.01 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 61.96 1x48 h PHE 15 Cb 1.37 0.17 -0.06 0.00 2.56 0.00 0.00 35.95 39.99 1x48 h PHE 15 CO 0.01 -0.29 -0.41 0.00 -2.02 0.00 0.00 178.31 175.60 1x48 h ALA 16 N -0.08 -0.60 -0.62 2.41 0.00 -0.68 -1.00 119.26 118.69 1x48 h ALA 16 Ca -0.06 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 54.96 1x48 h ALA 16 Cb 0.47 0.76 -0.10 0.00 0.00 0.00 0.00 17.79 18.92 1x48 h ALA 16 CO 0.09 -0.92 0.00 0.37 0.00 0.00 0.00 179.25 178.79 1x48 h GLN 17 N -0.51 0.12 -0.73 0.00 -0.00 -1.57 0.16 115.11 112.58 1x48 h GLN 17 Ca 0.07 -0.01 0.07 0.00 -0.00 0.00 0.00 58.65 58.78 1x48 h GLN 17 Cb 0.63 -0.03 -0.06 0.00 0.00 0.00 0.00 27.48 28.02 1x48 h GLN 17 CO -0.37 0.08 0.41 0.87 0.00 0.00 0.00 178.83 179.81 1x48 h LYS 18 N 0.12 0.71 -0.79 1.69 1.57 -0.61 0.12 116.57 119.38 1x48 h LYS 18 Ca 0.32 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 59.00 1x48 h LYS 18 Cb 0.52 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 1x48 h LYS 18 CO -0.53 0.47 0.08 1.63 -0.57 0.00 0.00 179.45 180.53 1x48 n LYS 19 N -4.77 3.13 -4.45 3.15 5.02 -0.03 -4.89 118.16 115.32 1x48 n LYS 19 Ca 0.10 -1.96 -0.41 0.00 -2.02 0.00 0.00 58.31 54.02 1x48 n LYS 19 Cb 0.21 -1.94 -0.08 0.00 -0.02 0.00 0.00 35.03 33.21 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 0.21 -0.75 -2.76 1.97 5.02 0.24 -4.90 118.16 117.20 1x48 n LYS 20 Ca 0.21 0.13 -0.21 0.00 -2.02 0.00 0.00 58.31 56.43 1x48 n LYS 20 Cb 0.92 -4.61 0.07 0.00 -0.02 0.00 0.00 35.03 31.39 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 -7.08 3.17 -0.22 -0.35 1.43 0.30 -4.99 118.68 110.95 1x48 s LEU 21 Ca 0.81 -0.39 -0.01 0.00 -1.03 0.00 0.00 54.13 53.51 1x48 s LEU 21 Cb -0.47 -2.23 0.02 0.00 0.03 0.00 0.00 46.19 43.54 1x48 s LEU 21 CO 0.99 -1.41 -0.09 -0.44 0.23 0.00 0.00 176.35 175.63 1x48 s SER 22 N -4.59 4.02 -0.15 2.29 0.01 -1.26 -4.54 113.70 109.49 1x48 s SER 22 Ca 0.61 -0.71 -0.05 0.00 1.31 0.00 0.00 55.95 57.11 1x48 s SER 22 Cb -0.07 -1.63 -0.03 0.00 0.21 0.00 0.00 66.02 64.49 1x48 s SER 22 CO 0.40 -0.07 0.02 0.54 0.41 0.00 0.00 173.24 174.54 1x48 s VAL 23 N 1.35 4.42 0.08 3.43 0.11 -1.26 -0.86 120.40 127.66 1x48 s VAL 23 Ca 0.02 -0.18 0.05 0.00 -2.93 0.00 0.00 61.98 58.95 1x48 s VAL 23 Cb -0.15 -2.94 -0.03 0.00 -1.53 0.00 0.00 36.38 31.72 1x48 s VAL 23 CO -0.06 0.51 -0.14 0.20 -3.33 0.00 0.00 175.10 172.27 1x48 s ASN 24 N 0.08 1.73 -0.27 3.54 0.01 0.11 -4.99 114.94 115.14 1x48 s ASN 24 Ca 0.03 -0.65 0.01 0.00 -0.71 0.00 0.00 52.86 51.54 1x48 s ASN 24 Cb -0.13 -0.05 0.08 0.00 0.41 0.00 0.00 41.25 41.56 1x48 s ASN 24 CO 0.02 -0.09 0.01 -0.31 -1.51 0.00 0.00 177.10 175.22 1x48 s TYR 25 N -1.41 2.44 0.03 2.20 2.02 -1.26 -0.64 117.35 120.73 1x48 s TYR 25 Ca -0.00 -1.95 -0.20 0.00 -0.37 0.00 0.00 57.07 54.54 1x48 s TYR 25 Cb -0.09 -1.85 -0.06 0.00 -0.40 0.00 0.00 41.96 39.56 1x48 s TYR 25 CO 0.02 -0.83 0.60 -2.00 -1.57 0.00 0.00 175.55 171.78 1x48 s GLU 26 N 1.37 4.30 -0.28 -0.62 2.56 -0.22 -4.86 118.70 120.95 1x48 s GLU 26 Ca 0.01 0.76 -0.02 0.00 0.00 0.00 0.00 54.97 55.73 1x48 s GLU 26 Cb -0.18 -3.31 0.04 0.00 2.00 0.00 0.00 34.13 32.68 1x48 s GLU 26 CO -0.11 0.46 -0.02 -1.14 -0.56 0.00 0.00 175.26 173.88 1x48 s GLN 27 N -0.52 2.62 -0.08 4.30 0.74 -1.26 -0.67 119.66 124.79 1x48 s GLN 27 Ca 0.31 -1.13 0.04 0.00 0.05 0.00 0.00 55.36 54.63 1x48 s GLN 27 Cb -0.19 -3.10 -0.01 0.00 1.10 0.00 0.00 33.01 30.81 1x48 s GLN 27 CO 0.18 -0.52 -0.22 0.00 -0.55 0.00 0.00 175.29 174.18 1x48 s GLU 29 N 0.07 3.79 -0.05 0.00 -1.05 -1.26 -4.07 118.70 116.13 1x48 s GLU 29 Ca -0.10 0.24 -0.30 0.00 -0.15 0.00 0.00 54.97 54.66 1x48 s GLU 29 Cb -0.15 -3.08 -0.05 0.00 -0.44 0.00 0.00 34.13 30.41 1x48 s GLU 29 CO 0.06 0.61 1.49 -1.25 0.95 0.00 0.00 175.26 177.12 1x48 s PRO 30 N -1.60 4.23 0.19 -4.83 0.04 -1.26 -4.92 135.00 126.85 1x48 s PRO 30 Ca 0.29 2.02 -0.22 0.00 0.04 0.00 0.00 61.00 63.12 1x48 s PRO 30 Cb -0.15 -3.78 0.12 0.00 0.04 0.00 0.00 34.50 30.72 1x48 s PRO 30 CO 0.16 -0.72 1.56 -0.91 0.04 0.00 0.00 177.00 177.13 1x48 h ASN 31 N 8.63 -1.48 -1.68 6.66 2.35 -1.99 -3.39 115.58 124.69 1x48 h ASN 31 Ca -0.36 0.27 -0.70 0.00 -0.55 0.00 0.00 56.30 54.96 1x48 h ASN 31 Cb 1.16 0.72 0.02 0.00 0.05 0.00 0.00 38.32 40.27 1x48 h ASN 31 CO 0.94 -0.30 0.92 -0.24 -1.65 0.00 0.00 177.43 177.10 1x48 n SER 32 N -5.42 2.60 0.00 5.81 2.88 -1.26 -4.86 113.62 113.37 1x48 n SER 32 Ca 0.05 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.65 1x48 n SER 32 Cb 0.36 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.62 1x48 n SER 32 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1x48 n GLU 33 N 5.46 0.00 -4.46 -1.46 -0.58 -1.26 -4.66 120.64 113.67 1x48 n GLU 33 Ca 0.25 0.91 -0.23 0.00 -0.42 0.00 0.00 57.16 57.67 1x48 n GLU 33 Cb 0.17 -1.39 -0.10 0.00 -0.57 0.00 0.00 31.44 29.55 1x48 n GLU 33 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1x48 s LEU 34 N -5.57 2.60 0.00 -4.62 1.02 -1.26 -4.43 118.68 106.42 1x48 s LEU 34 Ca 0.00 -1.05 -0.20 0.00 0.02 0.00 0.00 54.13 52.90 1x48 s LEU 34 Cb 0.00 -1.02 0.30 0.00 0.02 0.00 0.00 46.19 45.49 1x48 s LEU 34 CO 0.00 -0.02 1.07 -0.81 0.02 0.00 0.00 176.35 176.60 1x48 n PRO 35 N -0.61 -3.12 -3.71 1.29 -0.04 -1.26 -5.12 135.00 122.44 1x48 n PRO 35 Ca -0.05 -1.71 -0.38 0.00 -0.04 0.00 0.00 63.50 61.31 1x48 n PRO 35 Cb 0.61 -1.61 -0.12 0.00 -0.04 0.00 0.00 33.50 32.34 1x48 n PRO 35 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1x48 s GLN 36 N -5.43 2.77 -0.04 0.54 -1.52 -1.26 -5.00 119.66 109.72 1x48 s GLN 36 Ca 0.69 -1.09 0.01 0.00 -1.95 0.00 0.00 55.36 53.02 1x48 s GLN 36 Cb -0.07 -3.51 0.02 0.00 -0.22 0.00 0.00 33.01 29.23 1x48 s GLN 36 CO 0.53 -0.63 -0.02 -0.98 -0.25 0.00 0.00 175.29 173.94 1x48 s ARG 37 N 1.46 0.63 0.43 2.91 1.04 -1.26 -4.83 118.95 119.33 1x48 s ARG 37 Ca 0.00 -0.02 -0.21 0.00 -1.04 0.00 0.00 55.73 54.46 1x48 s ARG 37 Cb -0.19 -0.73 -0.11 0.00 -2.04 0.00 0.00 34.95 31.88 1x48 s ARG 37 CO 0.04 -0.12 0.96 -0.06 -0.04 0.00 0.00 175.30 176.08 1x48 s PHE 38 N 1.07 3.30 -0.01 5.89 0.40 0.98 -4.58 117.98 125.03 1x48 s PHE 38 Ca -0.09 1.62 0.01 0.00 -0.60 0.00 0.00 56.93 57.87 1x48 s PHE 38 Cb -0.14 -2.89 0.01 0.00 0.51 0.00 0.00 43.02 40.51 1x48 s PHE 38 CO -0.01 -0.18 -0.01 0.42 0.70 0.00 0.00 175.22 176.13 1x48 s ILE 39 N -2.11 0.15 -0.10 0.64 1.01 -1.26 -1.13 121.20 118.41 1x48 s ILE 39 Ca 0.62 -0.01 -0.02 0.00 0.00 0.00 0.00 60.65 61.24 1x48 s ILE 39 Cb -0.11 -0.18 0.03 0.00 0.01 0.00 0.00 42.46 42.22 1x48 s ILE 39 CO 0.15 0.08 0.00 0.00 0.00 0.00 0.00 174.94 175.17 1x48 s LYS 41 N 1.93 3.99 -0.31 0.00 1.02 0.15 -0.56 119.74 125.97 1x48 s LYS 41 Ca 0.04 -0.32 -0.21 0.00 0.02 0.00 0.00 55.97 55.51 1x48 s LYS 41 Cb -0.13 -3.46 -0.01 0.00 -0.52 0.00 0.00 37.83 33.71 1x48 s LYS 41 CO -0.06 0.05 0.66 0.00 -0.92 0.00 0.00 175.35 175.08 1x48 s LYS 43 N 2.68 3.13 -0.48 0.00 1.02 0.18 -2.52 119.74 123.76 1x48 s LYS 43 Ca 0.26 -0.81 -0.12 0.00 0.02 0.00 0.00 55.97 55.32 1x48 s LYS 43 Cb -0.15 -2.50 0.10 0.00 -0.52 0.00 0.00 37.83 34.77 1x48 s LYS 43 CO 0.12 0.05 0.38 0.42 -0.92 0.00 0.00 175.35 175.40 1x48 s ILE 44 N 0.68 4.73 -0.82 2.17 -1.09 0.47 -0.72 121.20 126.62 1x48 s ILE 44 Ca -0.09 -1.44 -0.01 0.00 -2.23 0.00 0.00 60.65 56.88 1x48 s ILE 44 Cb -0.16 -3.96 -0.01 0.00 -1.58 0.00 0.00 42.46 36.75 1x48 s ILE 44 CO 0.02 -0.68 0.69 0.61 -1.23 0.00 0.00 174.94 174.34 1x48 n GLY 45 N 5.07 -0.22 2.44 6.18 0.00 -0.04 -2.73 105.19 115.90 1x48 n GLY 45 Ca -0.11 0.02 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.10 -1.37 -4.87 1.61 6.02 -1.26 -4.98 117.38 109.42 1x48 n GLN 46 Ca -0.17 1.01 -0.28 0.00 -0.01 0.00 0.00 57.00 57.55 1x48 n GLN 46 Cb 0.61 -5.42 -0.17 0.00 1.02 0.00 0.00 30.24 26.29 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 -2.80 1.59 -0.26 5.09 2.01 -1.11 -5.10 115.64 115.07 1x48 s THR 47 Ca 0.00 -0.74 -0.29 0.00 0.31 0.00 0.00 61.69 60.97 1x48 s THR 47 Cb 0.00 -1.41 -0.01 0.00 0.01 0.00 0.00 72.50 71.10 1x48 s THR 47 CO 0.00 0.46 1.37 -0.32 -0.69 0.00 0.00 174.62 175.43 1x48 s MET 48 N 0.53 3.94 -0.03 4.92 1.75 -1.26 -0.40 119.30 128.76 1x48 s MET 48 Ca -0.16 1.42 -0.07 0.00 -1.25 0.00 0.00 55.69 55.63 1x48 s MET 48 Cb -0.17 -3.90 -0.02 0.00 2.84 0.00 0.00 34.83 33.58 1x48 s MET 48 CO 0.06 -1.09 -0.13 0.66 -0.65 0.00 0.00 175.02 173.87 1x48 n TYR 49 N 7.63 0.00 -4.26 4.11 4.02 -1.05 -4.95 117.16 122.66 1x48 n TYR 49 Ca 0.15 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.90 1x48 n TYR 49 Cb 0.46 -0.19 -0.10 0.00 -0.02 0.00 0.00 39.34 39.49 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 -4.17 1.13 -0.14 2.72 0.00 -1.05 -4.44 107.32 101.38 1x48 s GLY 50 Ca -0.11 -1.53 -0.04 0.00 0.00 0.00 0.00 44.72 43.04 1x48 s GLY 50 CO 0.17 -1.61 0.14 -1.59 0.00 0.00 0.00 173.10 170.21 1x48 s THR 51 N -3.32 -0.20 0.01 0.90 2.01 -1.26 -0.43 115.64 113.35 1x48 s THR 51 Ca 0.18 0.07 -0.01 0.00 0.31 0.00 0.00 61.69 62.24 1x48 s THR 51 Cb 0.03 -0.47 -0.04 0.00 0.01 0.00 0.00 72.50 72.03 1x48 s THR 51 CO 0.02 -0.08 0.14 -0.83 -0.69 0.00 0.00 174.62 173.17 1x48 s GLY 52 N 2.24 2.11 -0.09 4.40 0.00 0.28 -4.66 107.32 111.59 1x48 s GLY 52 Ca 0.04 -0.83 -0.04 0.00 0.00 0.00 0.00 44.72 43.89 1x48 s GLY 52 CO -0.08 -0.73 0.19 -1.35 0.00 0.00 0.00 173.10 171.12 1x48 s SER 53 N -1.96 0.24 0.20 1.64 1.04 -1.26 -0.87 113.70 112.73 1x48 s SER 53 Ca 0.27 0.40 -0.03 0.00 0.48 0.00 0.00 55.95 57.07 1x48 s SER 53 Cb -0.12 0.35 0.01 0.00 0.10 0.00 0.00 66.02 66.36 1x48 s SER 53 CO 0.18 -0.20 0.32 0.61 0.98 0.00 0.00 173.24 175.13 1x48 n GLY 54 N 4.80 2.20 0.24 7.32 0.00 -0.28 -4.79 105.19 114.68 1x48 n GLY 54 Ca -0.15 -1.39 0.12 0.00 0.00 0.00 0.00 46.02 44.61 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 0.33 -3.97 1.61 -1.51 -1.88 0.28 116.25 112.66 1x48 h VAL 55 Ca -0.16 -0.92 -0.34 0.00 -1.23 0.00 0.00 66.70 64.05 1x48 h VAL 55 Cb 0.65 1.71 -0.24 0.00 -2.13 0.00 0.00 31.29 31.28 1x48 h VAL 55 CO 0.21 0.14 -0.76 -0.89 -1.23 0.00 0.00 177.57 175.04 1x48 s THR 56 N -3.62 0.66 0.10 7.19 2.01 -1.26 -3.85 115.64 116.88 1x48 s THR 56 Ca 0.01 -0.80 -0.24 0.00 0.31 0.00 0.00 61.69 60.97 1x48 s THR 56 Cb 0.09 -0.64 -0.07 0.00 0.01 0.00 0.00 72.50 71.89 1x48 s THR 56 CO 0.61 -0.12 1.40 0.50 -0.69 0.00 0.00 174.62 176.32 1x48 h LYS 57 N 5.08 -0.19 -0.45 4.92 3.64 -1.85 -1.73 116.57 125.98 1x48 h LYS 57 Ca -0.34 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.09 1x48 h LYS 57 Cb 1.19 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 33.00 1x48 h LYS 57 CO 0.44 -0.13 -0.27 0.94 -2.27 0.00 0.00 179.45 178.17 1x48 n GLN 58 N -4.66 -0.20 -0.34 1.90 7.27 -1.26 0.94 117.38 121.03 1x48 n GLN 58 Ca -0.01 1.16 0.24 0.00 0.07 0.00 0.00 57.00 58.45 1x48 n GLN 58 Cb 0.23 -1.72 0.47 0.00 2.41 0.00 0.00 30.24 31.64 1x48 n GLN 58 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1x48 h GLU 59 N 0.00 0.34 0.00 3.69 4.57 -1.82 0.28 114.58 121.64 1x48 h GLU 59 Ca 0.07 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1x48 h GLU 59 Cb 0.19 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1x48 h GLU 59 CO -0.43 0.23 0.00 0.00 -1.18 0.00 0.00 179.01 177.63 1x48 n ALA 60 N -2.30 -0.20 -0.31 2.92 0.00 0.27 -2.69 120.51 118.19 1x48 n ALA 60 Ca 0.31 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.91 1x48 n ALA 60 Cb 0.97 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.73 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 -1.59 -0.07 0.03 0.00 4.81 0.40 -1.08 118.16 120.66 1x48 n LYS 61 Ca 0.00 1.34 -0.02 0.00 -0.87 0.00 0.00 58.31 58.75 1x48 n LYS 61 Cb 0.00 -2.17 -0.01 0.00 0.02 0.00 0.00 35.03 32.87 1x48 n LYS 61 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1x48 h GLN 62 N 0.00 -0.12 -0.76 1.64 4.20 -1.03 -2.76 115.11 116.29 1x48 h GLN 62 Ca 0.59 0.01 0.17 0.00 0.06 0.00 0.00 58.65 59.47 1x48 h GLN 62 Cb 1.28 0.03 -0.14 0.00 0.30 0.00 0.00 27.48 28.96 1x48 h GLN 62 CO -0.83 -0.08 -0.05 -0.07 -0.67 0.00 0.00 178.83 177.14 1x48 h LEU 63 N -0.12 -0.45 -0.73 1.46 3.38 -0.89 -0.75 115.31 117.21 1x48 h LEU 63 Ca -0.00 0.21 0.13 0.00 0.09 0.00 0.00 57.88 58.31 1x48 h LEU 63 Cb 0.12 0.38 -0.13 0.00 0.09 0.00 0.00 40.66 41.12 1x48 h LEU 63 CO -0.03 -0.20 -0.22 0.00 0.09 0.00 0.00 178.44 178.08 1x48 n ALA 64 N -3.03 0.08 0.15 1.53 0.00 -0.53 0.54 120.51 119.25 1x48 n ALA 64 Ca 0.13 0.78 -0.14 0.00 0.00 0.00 0.00 53.44 54.21 1x48 n ALA 64 Cb 0.45 -0.43 -0.06 0.00 0.00 0.00 0.00 19.45 19.41 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 1.30 -0.59 -0.87 0.00 0.00 -1.07 -1.94 119.26 116.09 1x48 h ALA 65 Ca 0.32 -0.07 0.25 0.00 0.00 0.00 0.00 54.91 55.40 1x48 h ALA 65 Cb 0.50 0.50 -0.16 0.00 0.00 0.00 0.00 17.79 18.63 1x48 h ALA 65 CO -0.74 -0.88 0.04 1.17 0.00 0.00 0.00 179.25 178.84 1x48 n LYS 66 N -5.42 -0.07 -0.06 0.00 4.81 0.19 0.10 118.16 117.71 1x48 n LYS 66 Ca -0.08 1.29 -0.13 0.00 -0.87 0.00 0.00 58.31 58.53 1x48 n LYS 66 Cb 0.33 -2.07 -0.07 0.00 0.02 0.00 0.00 35.03 33.25 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 0.38 -0.75 1.64 5.08 -1.21 -3.09 114.58 116.63 1x48 h GLU 67 Ca 0.54 -0.19 0.08 0.00 -1.00 0.00 0.00 59.36 58.79 1x48 h GLU 67 Cb 1.13 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.33 1x48 h GLU 67 CO -0.81 0.74 0.49 0.00 -1.00 0.00 0.00 179.01 178.44 1x48 h ALA 68 N 0.63 1.76 0.14 3.43 0.00 0.15 -2.04 119.26 123.33 1x48 h ALA 68 Ca 0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1x48 h ALA 68 Cb 0.66 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1x48 h ALA 68 CO 0.04 0.09 -0.08 -0.92 0.00 0.00 0.00 179.25 178.38 1x48 h TYR 69 N 0.71 -0.20 -1.05 0.00 3.20 -0.50 -2.31 116.97 116.83 1x48 h TYR 69 Ca 0.34 -0.00 0.28 0.00 3.14 0.00 0.00 58.73 62.48 1x48 h TYR 69 Cb 0.39 0.07 -0.11 0.00 1.54 0.00 0.00 36.73 38.62 1x48 h TYR 69 CO -0.00 -0.12 0.65 -0.56 -1.64 0.00 0.00 178.16 176.49 1x48 h GLN 70 N -0.20 0.42 -0.69 1.82 3.07 -1.50 0.52 115.11 118.55 1x48 h GLN 70 Ca -0.02 -0.03 0.05 0.00 0.09 0.00 0.00 58.65 58.75 1x48 h GLN 70 Cb 0.15 -0.09 -0.04 0.00 0.08 0.00 0.00 27.48 27.58 1x48 h GLN 70 CO 0.02 0.28 0.45 0.87 0.09 0.00 0.00 178.83 180.54 1x48 h LYS 71 N 0.43 0.73 -0.06 0.06 1.79 -1.16 -1.78 116.57 116.57 1x48 h LYS 71 Ca 0.64 -0.04 -0.09 0.00 -2.18 0.00 0.00 60.65 58.98 1x48 h LYS 71 Cb 1.50 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.99 1x48 h LYS 71 CO -0.39 0.48 -0.30 -0.07 -1.08 0.00 0.00 179.45 178.10 1x48 h LEU 72 N 0.75 0.37 -1.84 2.94 3.38 0.59 0.17 115.31 121.68 1x48 h LEU 72 Ca 0.29 -0.65 0.11 0.00 0.09 0.00 0.00 57.88 57.71 1x48 h LEU 72 Cb 0.19 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1x48 h LEU 72 CO -0.09 0.96 0.34 -0.07 0.09 0.00 0.00 178.44 179.67 1x48 h LEU 73 N -0.20 0.16 0.05 1.67 3.38 -0.96 -0.77 115.31 118.65 1x48 h LEU 73 Ca -0.02 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.71 1x48 h LEU 73 Cb 0.95 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1x48 h LEU 73 CO 0.06 0.10 -1.32 0.11 0.09 0.00 0.00 178.44 177.48 1x48 h LYS 74 N 0.18 0.10 -2.79 1.13 1.57 -1.31 -3.43 116.57 112.01 1x48 h LYS 74 Ca 0.23 -0.18 -0.60 0.00 -1.87 0.00 0.00 60.65 58.23 1x48 h LYS 74 Cb 0.67 0.07 -0.40 0.00 0.08 0.00 0.00 32.23 32.65 1x48 h LYS 74 CO -0.04 1.09 -0.79 0.45 -0.57 0.00 0.00 179.45 179.59 1x48 s SER 75 N -6.88 3.20 1.00 0.86 0.15 0.60 -5.11 113.70 107.52 1x48 s SER 75 Ca -0.25 -2.84 -0.12 0.00 0.70 0.00 0.00 55.95 53.44 1x48 s SER 75 Cb 0.05 -0.89 0.19 0.00 -1.71 0.00 0.00 66.02 63.66 1x48 s SER 75 CO 0.67 -0.22 1.09 -2.16 1.20 0.00 0.00 173.24 173.82 1x48 s PRO 76 N 0.13 0.41 -0.51 5.44 0.04 -0.33 -4.32 135.00 135.86 1x48 s PRO 76 Ca 0.22 0.52 -0.27 0.00 0.04 0.00 0.00 61.00 61.51 1x48 s PRO 76 Cb -0.15 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.64 1x48 s PRO 76 CO -0.07 -2.74 1.80 -1.25 0.04 0.00 0.00 177.00 174.78 1x48 s PRO 77 N -4.96 2.92 -0.75 0.56 0.04 -1.26 -4.89 135.00 126.66 1x48 s PRO 77 Ca 0.65 0.88 -0.30 0.00 0.04 0.00 0.00 61.00 62.26 1x48 s PRO 77 Cb -0.19 -4.30 -0.16 0.00 0.04 0.00 0.00 34.50 29.89 1x48 s PRO 77 CO 0.58 -2.38 2.53 1.17 0.04 0.00 0.00 177.00 178.95 1x48 n LYS 78 N 8.87 0.43 -4.17 4.56 4.81 -1.26 -4.90 118.16 126.50 1x48 n LYS 78 Ca 0.21 0.03 -0.29 0.00 -0.87 0.00 0.00 58.31 57.38 1x48 n LYS 78 Cb 0.50 -2.21 -0.08 0.00 0.02 0.00 0.00 35.03 33.26 1x48 n LYS 78 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 1x48 s THR 79 N 9.72 3.79 -0.01 3.15 -1.32 -1.26 -5.05 115.64 124.65 1x48 s THR 79 Ca 1.21 -1.19 -0.24 0.00 -1.21 0.00 0.00 61.69 60.26 1x48 s THR 79 Cb -0.89 -2.83 -0.17 0.00 -1.51 0.00 0.00 72.50 67.10 1x48 s THR 79 CO 0.43 0.04 1.16 0.00 -2.21 0.00 0.00 174.62 174.04 1x48 h ALA 80 N 3.23 -0.28 0.00 11.08 0.00 -2.06 -3.49 119.26 127.74 1x48 h ALA 80 Ca -0.48 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1x48 h ALA 80 Cb 1.18 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1x48 h ALA 80 CO 0.57 -0.44 0.00 0.41 0.00 0.00 0.00 179.25 179.80 1x48 n GLY 81 N -0.00 4.21 3.77 0.00 0.00 -1.26 -5.14 105.19 106.76 1x48 n GLY 81 Ca -0.09 -0.53 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.23 5.03 -0.28 2.61 2.01 -1.26 -5.09 115.64 117.43 1x48 s THR 82 Ca 0.00 0.03 -0.24 0.00 0.31 0.00 0.00 61.69 61.80 1x48 s THR 82 Cb 0.00 -3.19 0.09 0.00 0.01 0.00 0.00 72.50 69.41 1x48 s THR 82 CO 0.00 0.58 0.84 -0.55 -0.69 0.00 0.00 174.62 174.80 1x48 s SER 83 N -0.64 -0.65 0.00 3.53 0.15 -1.26 -5.17 113.70 109.66 1x48 s SER 83 Ca 0.12 1.21 0.00 0.00 0.70 0.00 0.00 55.95 57.98 1x48 s SER 83 Cb -0.12 1.24 0.00 0.00 -1.71 0.00 0.00 66.02 65.43 1x48 s SER 83 CO 0.02 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.87 1x48 n GLY 84 N 2.75 3.90 0.19 9.45 0.00 -1.26 -4.98 105.19 115.24 1x48 n GLY 84 Ca -0.14 -0.54 0.14 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 0.00 -1.53 1.61 0.13 -2.04 -3.24 132.00 126.93 1x48 h PRO 85 Ca 0.00 0.00 0.49 0.00 -0.87 0.00 0.00 66.00 65.62 1x48 h PRO 85 Cb 0.00 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.01 1x48 h PRO 85 CO 0.00 0.00 1.03 0.66 -0.23 0.00 0.00 178.00 179.46 1x48 h SER 86 N 0.00 0.15 -3.42 1.44 4.64 -2.06 -3.38 113.55 110.92 1x48 h SER 86 Ca 0.00 0.10 -0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1x48 h SER 86 Cb 0.41 0.10 -0.21 0.00 -0.31 0.00 0.00 62.40 62.40 1x48 h SER 86 CO 0.00 -0.16 0.07 -0.44 -0.87 0.00 0.00 176.83 175.42 1x48 s SER 87 N -4.24 -0.87 0.00 4.97 0.01 -1.22 -5.29 113.70 107.06 1x48 s SER 87 Ca -0.07 1.49 0.00 0.00 1.31 0.00 0.00 55.95 58.68 1x48 s SER 87 Cb 0.29 1.42 0.00 0.00 0.21 0.00 0.00 66.02 67.95 1x48 s SER 87 CO 0.84 -0.24 0.17 0.61 0.41 0.00 0.00 173.24 175.03