#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x60 n LYS 2 N 0.00 0.59 0.00 3.23 4.81 -1.26 -5.09 118.16 120.44 1x60 n LYS 2 Ca 0.00 -2.89 0.00 0.00 -0.87 0.00 0.00 58.31 54.55 1x60 n LYS 2 Cb 0.00 2.63 0.00 0.00 0.02 0.00 0.00 35.03 37.68 1x60 n LYS 2 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1x60 n LYS 3 N -0.58 0.00 -3.80 1.64 4.01 -1.26 -5.08 118.16 113.09 1x60 n LYS 3 Ca 0.03 0.00 -0.35 0.00 -0.51 0.00 0.00 58.31 57.48 1x60 n LYS 3 Cb 0.58 -0.08 -0.09 0.00 -0.51 0.00 0.00 35.03 34.92 1x60 n LYS 3 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 1x60 s THR 4 N -1.83 5.11 0.00 -0.18 -1.32 -1.26 -4.94 115.64 111.22 1x60 s THR 4 Ca 0.00 0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.57 1x60 s THR 4 Cb 0.00 -3.34 0.00 0.00 -1.51 0.00 0.00 72.50 67.65 1x60 s THR 4 CO 0.00 0.41 0.00 -0.24 -2.21 0.00 0.00 174.62 172.58 1x60 n SER 5 N 3.85 1.87 -4.65 8.08 2.88 -1.26 -5.02 113.62 119.36 1x60 n SER 5 Ca -0.16 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 56.98 1x60 n SER 5 Cb 0.52 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 1x60 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x60 s SER 6 N -4.29 6.64 -0.29 -3.46 0.15 -1.26 -5.03 113.70 106.16 1x60 s SER 6 Ca 0.00 0.78 -0.15 0.00 0.70 0.00 0.00 55.95 57.27 1x60 s SER 6 Cb 0.00 -2.33 0.11 0.00 -1.71 0.00 0.00 66.02 62.08 1x60 s SER 6 CO 0.00 -0.27 0.77 -0.44 1.20 0.00 0.00 173.24 174.51 1x60 s SER 7 N 1.23 -0.85 0.45 5.45 0.01 -1.25 -5.09 113.70 113.66 1x60 s SER 7 Ca 0.27 1.31 -0.25 0.00 1.31 0.00 0.00 55.95 58.60 1x60 s SER 7 Cb -0.16 1.48 -0.08 0.00 0.21 0.00 0.00 66.02 67.47 1x60 s SER 7 CO 0.10 -0.20 1.32 -0.83 0.41 0.00 0.00 173.24 174.04 1x60 s GLY 8 N 1.77 2.90 -0.05 3.44 0.00 -1.23 -4.06 107.32 110.08 1x60 s GLY 8 Ca -0.09 1.26 -0.05 0.00 0.00 0.00 0.00 44.72 45.85 1x60 s GLY 8 CO -0.18 1.83 0.14 1.08 0.00 0.00 0.00 173.10 175.96 1x60 s LEU 9 N -2.78 1.39 -0.44 0.66 1.43 0.24 -4.88 118.68 114.30 1x60 s LEU 9 Ca 0.61 0.28 -0.14 0.00 -1.03 0.00 0.00 54.13 53.85 1x60 s LEU 9 Cb -0.38 0.47 0.06 0.00 0.03 0.00 0.00 46.19 46.36 1x60 s LEU 9 CO 0.48 -0.06 0.35 -0.31 0.23 0.00 0.00 176.35 177.04 1x60 s TYR 10 N 0.19 3.25 0.15 0.29 2.02 -0.82 -0.72 117.35 121.71 1x60 s TYR 10 Ca -0.01 -0.90 0.08 0.00 -0.37 0.00 0.00 57.07 55.87 1x60 s TYR 10 Cb -0.02 -2.95 -0.04 0.00 -0.40 0.00 0.00 41.96 38.55 1x60 s TYR 10 CO -0.00 -0.74 -0.17 0.15 -1.57 0.00 0.00 175.55 173.21 1x60 s LYS 11 N 1.63 1.21 -0.09 -0.62 1.02 -1.02 -1.02 119.74 120.84 1x60 s LYS 11 Ca 0.04 -1.36 -0.01 0.00 0.02 0.00 0.00 55.97 54.66 1x60 s LYS 11 Cb -0.22 -1.24 -0.03 0.00 -0.52 0.00 0.00 37.83 35.81 1x60 s LYS 11 CO 0.07 0.25 -0.03 0.08 -0.92 0.00 0.00 175.35 174.80 1x60 s VAL 12 N -2.02 4.04 -0.03 3.17 1.01 -0.02 -1.38 120.40 125.18 1x60 s VAL 12 Ca 0.14 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.80 1x60 s VAL 12 Cb -0.06 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.64 1x60 s VAL 12 CO 0.06 0.59 -0.10 -1.58 0.00 0.00 0.00 175.10 174.07 1x60 s GLN 13 N -0.71 1.09 0.00 2.72 0.74 0.18 0.12 119.66 123.80 1x60 s GLN 13 Ca 0.11 -0.34 0.14 0.00 0.05 0.00 0.00 55.36 55.32 1x60 s GLN 13 Cb -0.11 -1.00 -0.02 0.00 1.10 0.00 0.00 33.01 32.97 1x60 s GLN 13 CO 0.02 0.12 0.75 0.44 -0.55 0.00 0.00 175.29 176.08 1x60 n ILE 14 N 3.30 0.00 0.00 -2.34 -0.00 -0.67 0.41 119.36 120.07 1x60 n ILE 14 Ca -0.18 -0.33 0.00 0.00 -0.00 0.00 0.00 62.75 62.24 1x60 n ILE 14 Cb 0.54 1.14 0.00 0.00 -0.00 0.00 0.00 39.64 41.32 1x60 n ILE 14 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1x60 n GLY 15 N 1.10 0.44 3.31 3.28 0.00 -1.24 -4.48 105.19 107.60 1x60 n GLY 15 Ca 0.05 -1.27 -0.13 0.00 0.00 0.00 0.00 46.02 44.67 1x60 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x60 s ALA 16 N -1.97 -1.02 -0.11 4.61 0.00 -1.26 -0.22 121.76 121.80 1x60 s ALA 16 Ca 0.00 0.98 -0.18 0.00 0.00 0.00 0.00 51.96 52.76 1x60 s ALA 16 Cb 0.00 -0.46 0.04 0.00 0.00 0.00 0.00 23.12 22.70 1x60 s ALA 16 CO 0.00 -0.22 0.45 -0.06 0.00 0.00 0.00 175.76 175.93 1x60 s PHE 17 N -0.23 -0.44 0.14 0.00 0.40 0.43 -4.87 117.98 113.41 1x60 s PHE 17 Ca -0.04 0.97 0.19 0.00 -0.60 0.00 0.00 56.93 57.45 1x60 s PHE 17 Cb -0.03 0.19 1.05 0.00 0.51 0.00 0.00 43.02 44.74 1x60 s PHE 17 CO 0.02 -0.34 1.53 1.57 0.70 0.00 0.00 175.22 178.71 1x60 h LYS 18 N 4.64 0.00 -5.19 0.44 2.10 -1.84 0.78 116.57 117.50 1x60 h LYS 18 Ca -0.28 0.00 -0.64 0.00 -2.00 0.00 0.00 60.65 57.73 1x60 h LYS 18 Cb 1.17 0.00 -0.22 0.00 -0.90 0.00 0.00 32.23 32.29 1x60 h LYS 18 CO 0.29 0.00 -0.65 0.08 -2.00 0.00 0.00 179.45 177.17 1x60 s VAL 19 N -3.56 4.05 0.13 0.07 1.01 -1.26 -4.63 120.40 116.20 1x60 s VAL 19 Ca -0.02 -0.29 -0.13 0.00 0.00 0.00 0.00 61.98 61.54 1x60 s VAL 19 Cb 0.06 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 1x60 s VAL 19 CO 0.18 0.45 1.47 0.50 0.00 0.00 0.00 175.10 177.69 1x60 h LYS 20 N 7.18 0.84 -0.84 2.72 3.64 -1.94 -2.34 116.57 125.84 1x60 h LYS 20 Ca -0.35 -0.42 0.19 0.00 -1.27 0.00 0.00 60.65 58.80 1x60 h LYS 20 Cb 1.18 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.95 1x60 h LYS 20 CO 0.62 1.06 0.56 0.00 -2.27 0.00 0.00 179.45 179.43 1x60 h ALA 21 N 0.76 2.22 -0.02 5.00 0.00 -1.95 0.94 119.26 126.20 1x60 h ALA 21 Ca 0.06 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 1x60 h ALA 21 Cb 0.88 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1x60 h ALA 21 CO 0.08 -0.47 -0.79 -0.91 0.00 0.00 0.00 179.25 177.16 1x60 h ASN 22 N 0.38 0.29 1.30 0.00 -0.26 -1.88 -2.60 115.58 112.80 1x60 h ASN 22 Ca 0.43 -0.21 0.00 0.00 -0.56 0.00 0.00 56.30 55.95 1x60 h ASN 22 Cb 1.08 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 38.25 1x60 h ASN 22 CO -0.14 0.97 0.00 0.00 -1.06 0.00 0.00 177.43 177.20 1x60 h ALA 23 N 1.02 1.00 0.18 -0.83 0.00 0.12 -2.59 119.26 118.16 1x60 h ALA 23 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.54 1x60 h ALA 23 Cb 1.38 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.19 1x60 h ALA 23 CO 0.12 0.00 -1.63 -0.44 0.00 0.00 0.00 179.25 177.31 1x60 h ASP 24 N 0.00 0.60 -0.31 0.00 5.19 -0.16 -2.68 116.42 119.06 1x60 h ASP 24 Ca 0.00 -0.81 -0.11 0.00 -0.62 0.00 0.00 57.03 55.49 1x60 h ASP 24 Cb 0.65 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.95 1x60 h ASP 24 CO 0.00 1.67 -0.20 -1.28 -3.12 0.00 0.00 179.24 176.31 1x60 h SER 25 N 0.10 0.79 0.14 6.45 0.87 -1.41 -1.59 113.55 118.90 1x60 h SER 25 Ca -0.29 -0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 59.98 1x60 h SER 25 Cb 2.09 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.83 1x60 h SER 25 CO 0.19 0.98 -0.07 0.25 -0.53 0.00 0.00 176.83 177.65 1x60 h LEU 26 N 0.69 -0.16 -2.50 2.23 5.85 -1.57 -2.43 115.31 117.43 1x60 h LEU 26 Ca 0.10 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.61 1x60 h LEU 26 Cb 0.71 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.78 1x60 h LEU 26 CO 0.05 0.14 0.06 0.00 -0.34 0.00 0.00 178.44 178.35 1x60 h ALA 27 N 0.34 1.49 -0.27 1.25 0.00 -1.40 -0.76 119.26 119.91 1x60 h ALA 27 Ca -0.02 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 1x60 h ALA 27 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1x60 h ALA 27 CO 0.03 -0.08 -0.53 0.77 0.00 0.00 0.00 179.25 179.44 1x60 h SER 28 N 0.00 0.93 -0.15 0.00 0.02 -0.86 -2.59 113.55 110.90 1x60 h SER 28 Ca 0.02 -0.54 -0.00 0.00 -0.84 0.00 0.00 61.79 60.43 1x60 h SER 28 Cb 0.13 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 1x60 h SER 28 CO -0.00 1.30 0.09 -0.55 -1.14 0.00 0.00 176.83 176.53 1x60 h ASN 29 N 0.61 0.18 -0.75 3.07 7.08 -0.68 -2.44 115.58 122.64 1x60 h ASN 29 Ca 0.01 -0.04 0.03 0.00 -3.08 0.00 0.00 56.30 53.22 1x60 h ASN 29 Cb 1.14 -0.05 -0.05 0.00 -2.08 0.00 0.00 38.32 37.29 1x60 h ASN 29 CO 0.12 0.17 0.47 0.00 -2.08 0.00 0.00 177.43 176.11 1x60 h ALA 30 N 1.02 0.98 -0.86 4.14 0.00 -1.52 -1.27 119.26 121.74 1x60 h ALA 30 Ca 0.05 -0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.06 1x60 h ALA 30 Cb 0.02 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.51 1x60 h ALA 30 CO -0.01 0.26 0.56 1.49 0.00 0.00 0.00 179.25 181.55 1x60 h GLU 31 N 0.91 0.73 -0.20 0.00 4.81 -1.13 -1.29 114.58 118.40 1x60 h GLU 31 Ca 0.30 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.54 1x60 h GLU 31 Cb 0.03 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.19 1x60 h GLU 31 CO -0.12 0.48 -0.13 0.00 -0.73 0.00 0.00 179.01 178.52 1x60 h ALA 32 N 1.59 0.03 0.00 2.92 0.00 -0.76 0.18 119.26 123.21 1x60 h ALA 32 Ca 0.42 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 1x60 h ALA 32 Cb 0.57 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1x60 h ALA 32 CO -0.18 -0.55 -0.12 0.87 0.00 0.00 0.00 179.25 179.27 1x60 h LYS 33 N -0.12 0.00 0.00 0.00 1.79 -1.22 -3.46 116.57 113.57 1x60 h LYS 33 Ca 0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1x60 h LYS 33 Cb 0.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 1x60 h LYS 33 CO -0.28 0.12 0.00 0.41 -1.08 0.00 0.00 179.45 178.62 1x60 n GLY 34 N -1.12 1.64 3.89 3.86 0.00 0.62 -5.14 105.19 108.95 1x60 n GLY 34 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1x60 n GLY 34 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x60 s PHE 35 N -2.00 3.01 -0.85 1.61 0.08 -0.80 -4.98 117.98 114.06 1x60 s PHE 35 Ca 0.00 -0.24 -0.19 0.00 0.12 0.00 0.00 56.93 56.62 1x60 s PHE 35 Cb 0.00 -1.79 0.13 0.00 -0.57 0.00 0.00 43.02 40.79 1x60 s PHE 35 CO 0.00 0.19 1.04 -0.51 -0.10 0.00 0.00 175.22 175.83 1x60 s ASP 36 N -4.02 6.53 -0.07 1.36 1.11 -1.26 -3.99 116.67 116.32 1x60 s ASP 36 Ca 0.41 -1.87 -0.29 0.00 0.18 0.00 0.00 52.55 50.98 1x60 s ASP 36 Cb -0.07 -2.38 -0.02 0.00 1.07 0.00 0.00 42.92 41.52 1x60 s ASP 36 CO 0.28 -1.09 0.94 -0.44 1.18 0.00 0.00 175.17 176.04 1x60 s SER 37 N 3.53 7.23 -0.02 0.27 0.01 -1.26 -3.06 113.70 120.40 1x60 s SER 37 Ca 0.28 1.50 0.06 0.00 1.31 0.00 0.00 55.95 59.10 1x60 s SER 37 Cb -0.09 -2.53 -0.01 0.00 0.21 0.00 0.00 66.02 63.59 1x60 s SER 37 CO -0.05 -0.34 -0.20 -0.51 0.41 0.00 0.00 173.24 172.55 1x60 s ILE 38 N 1.53 1.58 -0.26 1.44 2.07 0.10 -4.97 121.20 122.70 1x60 s ILE 38 Ca 0.47 -0.84 -0.01 0.00 -1.41 0.00 0.00 60.65 58.86 1x60 s ILE 38 Cb -0.19 -1.32 0.04 0.00 0.13 0.00 0.00 42.46 41.12 1x60 s ILE 38 CO 0.21 0.45 -0.06 -0.69 -1.91 0.00 0.00 174.94 172.94 1x60 s VAL 39 N -0.38 2.76 -0.23 4.00 1.01 -1.26 -1.10 120.40 125.21 1x60 s VAL 39 Ca 0.05 -1.22 -0.07 0.00 0.00 0.00 0.00 61.98 60.75 1x60 s VAL 39 Cb -0.09 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 1x60 s VAL 39 CO -0.00 0.09 0.05 -0.22 0.00 0.00 0.00 175.10 175.02 1x60 s LEU 40 N 1.27 3.44 -0.50 3.92 2.96 -0.81 -4.93 118.68 124.04 1x60 s LEU 40 Ca -0.03 -0.17 -0.28 0.00 -0.22 0.00 0.00 54.13 53.43 1x60 s LEU 40 Cb -0.18 -1.91 0.02 0.00 0.50 0.00 0.00 46.19 44.62 1x60 s LEU 40 CO -0.04 0.01 1.31 -0.22 -1.32 0.00 0.00 176.35 176.09 1x60 s LEU 41 N 1.33 3.52 0.52 -0.68 2.96 -1.26 -2.00 118.68 123.07 1x60 s LEU 41 Ca 0.05 0.47 -0.02 0.00 -0.22 0.00 0.00 54.13 54.41 1x60 s LEU 41 Cb -0.15 -3.35 0.01 0.00 0.50 0.00 0.00 46.19 43.20 1x60 s LEU 41 CO 0.03 -1.48 0.77 -0.75 -1.32 0.00 0.00 176.35 173.60 1x60 s LYS 42 N 4.99 2.93 -0.05 1.98 2.36 0.38 -4.91 119.74 127.42 1x60 s LYS 42 Ca 0.53 -0.35 -0.19 0.00 -2.55 0.00 0.00 55.97 53.41 1x60 s LYS 42 Cb -0.10 -2.44 -0.23 0.00 -1.05 0.00 0.00 37.83 34.01 1x60 s LYS 42 CO 0.29 -0.50 1.41 -3.47 1.55 0.00 0.00 175.35 174.63 1x60 n ASP 43 N -2.31 0.78 0.00 1.43 -0.08 -1.26 -2.28 116.55 112.84 1x60 n ASP 43 Ca 0.03 -2.33 0.00 0.00 -1.51 0.00 0.00 54.79 50.99 1x60 n ASP 43 Cb 0.58 -0.53 0.00 0.00 2.34 0.00 0.00 41.12 43.50 1x60 n ASP 43 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x60 n GLY 44 N 4.61 1.89 3.08 0.27 0.00 -1.26 -5.11 105.19 108.67 1x60 n GLY 44 Ca 0.31 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.21 1x60 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x60 s LEU 45 N 0.00 2.32 -0.16 0.99 1.43 -0.96 -4.24 118.68 118.06 1x60 s LEU 45 Ca 0.00 -0.67 -0.03 0.00 -1.03 0.00 0.00 54.13 52.39 1x60 s LEU 45 Cb 0.00 -0.09 -0.02 0.00 0.03 0.00 0.00 46.19 46.10 1x60 s LEU 45 CO 0.00 -0.30 -0.05 -0.31 0.23 0.00 0.00 176.35 175.93 1x60 s TYR 46 N -2.04 3.00 0.12 0.29 1.51 0.27 0.14 117.35 120.65 1x60 s TYR 46 Ca -0.05 -0.37 0.06 0.00 -1.01 0.00 0.00 57.07 55.70 1x60 s TYR 46 Cb -0.06 -1.96 -0.04 0.00 -0.11 0.00 0.00 41.96 39.80 1x60 s TYR 46 CO -0.02 -0.09 -0.00 0.15 -1.11 0.00 0.00 175.55 174.48 1x60 s LYS 47 N 0.44 2.47 -0.28 -0.62 3.01 -0.85 0.16 119.74 124.07 1x60 s LYS 47 Ca -0.04 -0.95 0.02 0.00 -1.01 0.00 0.00 55.97 53.99 1x60 s LYS 47 Cb -0.14 -2.46 0.08 0.00 -1.01 0.00 0.00 37.83 34.30 1x60 s LYS 47 CO 0.03 0.51 -0.01 0.08 0.51 0.00 0.00 175.35 176.47 1x60 s VAL 48 N -1.46 1.76 -0.07 3.17 1.01 0.70 -1.92 120.40 123.59 1x60 s VAL 48 Ca 0.26 -1.66 -0.03 0.00 0.00 0.00 0.00 61.98 60.56 1x60 s VAL 48 Cb -0.11 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1x60 s VAL 48 CO 0.18 -0.33 0.05 -1.58 0.00 0.00 0.00 175.10 173.43 1x60 s GLN 49 N 1.23 3.11 -0.06 2.72 0.74 -0.25 -1.67 119.66 125.48 1x60 s GLN 49 Ca 0.01 -0.36 -0.01 0.00 0.05 0.00 0.00 55.36 55.05 1x60 s GLN 49 Cb -0.19 -2.90 0.03 0.00 1.10 0.00 0.00 33.01 31.05 1x60 s GLN 49 CO -0.09 0.71 -0.01 0.96 -0.55 0.00 0.00 175.29 176.30 1x60 s ILE 50 N -1.00 0.39 0.00 -2.34 -5.25 0.32 0.02 121.20 113.35 1x60 s ILE 50 Ca 0.16 0.06 0.00 0.00 -0.99 0.00 0.00 60.65 59.89 1x60 s ILE 50 Cb -0.12 -0.51 0.00 0.00 2.95 0.00 0.00 42.46 44.78 1x60 s ILE 50 CO 0.06 0.24 0.00 0.61 -1.79 0.00 0.00 174.94 174.06 1x60 n GLY 51 N 4.80 -2.58 2.91 6.27 0.00 -1.17 -3.19 105.19 112.22 1x60 n GLY 51 Ca -0.13 -0.57 -0.25 0.00 0.00 0.00 0.00 46.02 45.06 1x60 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x60 s ALA 52 N 0.00 1.19 0.25 4.61 0.00 -1.26 -0.84 121.76 125.71 1x60 s ALA 52 Ca 0.00 -0.44 -0.01 0.00 0.00 0.00 0.00 51.96 51.51 1x60 s ALA 52 Cb 0.00 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.29 1x60 s ALA 52 CO 0.00 -0.31 0.24 -0.06 0.00 0.00 0.00 175.76 175.63 1x60 s PHE 53 N 1.52 1.15 -0.58 0.00 0.40 -0.19 -5.00 117.98 115.28 1x60 s PHE 53 Ca 0.01 -1.33 0.24 0.00 -0.60 0.00 0.00 56.93 55.25 1x60 s PHE 53 Cb -0.13 -0.44 0.49 0.00 0.51 0.00 0.00 43.02 43.45 1x60 s PHE 53 CO -0.05 -0.78 1.55 1.03 0.70 0.00 0.00 175.22 177.67 1x60 h SER 54 N 2.42 0.00 -3.32 1.36 0.87 -1.95 -2.19 113.55 110.75 1x60 h SER 54 Ca -0.32 -0.05 -0.65 0.00 -1.23 0.00 0.00 61.79 59.55 1x60 h SER 54 Cb 1.25 0.00 -0.26 0.00 -0.44 0.00 0.00 62.40 62.95 1x60 h SER 54 CO 0.46 0.02 -0.74 -0.44 -0.53 0.00 0.00 176.83 175.60 1x60 s SER 55 N -5.02 4.21 0.39 6.23 0.01 -1.26 -4.67 113.70 113.59 1x60 s SER 55 Ca 0.07 -0.28 0.09 0.00 1.31 0.00 0.00 55.95 57.15 1x60 s SER 55 Cb 0.10 -1.65 0.86 0.00 0.21 0.00 0.00 66.02 65.54 1x60 s SER 55 CO 0.66 0.17 1.96 0.50 0.41 0.00 0.00 173.24 176.94 1x60 h LYS 56 N 6.71 0.59 -0.98 12.44 3.11 -1.90 -1.22 116.57 135.33 1x60 h LYS 56 Ca -0.27 -0.04 0.26 0.00 -2.81 0.00 0.00 60.65 57.79 1x60 h LYS 56 Cb 1.21 -0.13 -0.06 0.00 -1.00 0.00 0.00 32.23 32.24 1x60 h LYS 56 CO 0.57 0.39 0.67 0.22 -2.81 0.00 0.00 179.45 178.50 1x60 h ASP 57 N 0.61 0.22 -0.01 4.20 3.58 -1.98 0.47 116.42 123.51 1x60 h ASP 57 Ca 0.31 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.79 1x60 h ASP 57 Cb 0.41 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.46 1x60 h ASP 57 CO -0.10 0.07 -0.02 0.78 -2.88 0.00 0.00 179.24 177.08 1x60 h ASN 58 N 0.21 0.04 -0.72 2.28 2.35 -1.61 -2.68 115.58 115.45 1x60 h ASN 58 Ca 0.50 -0.53 0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1x60 h ASN 58 Cb 1.60 -0.01 -0.04 0.00 0.05 0.00 0.00 38.32 39.92 1x60 h ASN 58 CO -0.13 0.57 0.47 0.00 -1.65 0.00 0.00 177.43 176.69 1x60 h ALA 59 N 0.48 0.93 0.15 -0.83 0.00 -1.09 -1.69 119.26 117.20 1x60 h ALA 59 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1x60 h ALA 59 Cb 0.56 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1x60 h ALA 59 CO 0.00 0.30 -0.12 -0.44 0.00 0.00 0.00 179.25 178.99 1x60 h ASP 60 N 0.94 -0.30 -0.66 0.00 3.32 -1.03 0.29 116.42 118.98 1x60 h ASP 60 Ca 0.27 0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.40 1x60 h ASP 60 Cb -0.06 0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 1x60 h ASP 60 CO -0.08 -0.19 0.44 0.71 -1.72 0.00 0.00 179.24 178.40 1x60 h THR 61 N -0.28 1.05 0.08 0.35 1.35 -1.27 -0.66 112.91 113.53 1x60 h THR 61 Ca -0.00 -0.25 -0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1x60 h THR 61 Cb 0.25 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 66.93 1x60 h THR 61 CO -0.01 0.13 -0.04 0.25 -0.25 0.00 0.00 175.52 175.60 1x60 h LEU 62 N 0.72 -0.09 0.45 3.87 7.12 -0.80 -2.49 115.31 124.09 1x60 h LEU 62 Ca 0.28 -0.40 -0.01 0.00 0.13 0.00 0.00 57.88 57.87 1x60 h LEU 62 Cb 0.18 0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 40.31 1x60 h LEU 62 CO -0.08 0.37 -0.48 0.00 -0.13 0.00 0.00 178.44 178.12 1x60 h ALA 63 N 0.27 -1.12 -1.00 1.25 0.00 0.04 0.66 119.26 119.36 1x60 h ALA 63 Ca -0.01 -0.18 0.21 0.00 0.00 0.00 0.00 54.91 54.93 1x60 h ALA 63 Cb 0.49 0.73 -0.10 0.00 0.00 0.00 0.00 17.79 18.90 1x60 h ALA 63 CO 0.02 -1.16 0.62 0.00 0.00 0.00 0.00 179.25 178.72 1x60 h ALA 64 N -0.92 1.82 -0.66 0.00 0.00 -1.24 0.51 119.26 118.76 1x60 h ALA 64 Ca -0.06 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1x60 h ALA 64 Cb 0.82 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1x60 h ALA 64 CO -0.08 -0.20 0.25 -0.09 0.00 0.00 0.00 179.25 179.13 1x60 h ARG 65 N 0.66 0.99 -0.52 0.00 2.43 -0.89 0.29 114.38 117.34 1x60 h ARG 65 Ca 0.57 -0.17 -0.07 0.00 -0.81 0.00 0.00 59.98 59.50 1x60 h ARG 65 Cb 1.04 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.40 1x60 h ARG 65 CO -0.35 0.82 0.05 0.00 -1.51 0.00 0.00 179.97 178.97 1x60 h ALA 66 N 1.30 0.70 -0.22 2.80 0.00 0.23 0.86 119.26 124.92 1x60 h ALA 66 Ca 0.22 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1x60 h ALA 66 Cb 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1x60 h ALA 66 CO -0.02 0.47 0.13 0.87 0.00 0.00 0.00 179.25 180.70 1x60 h LYS 67 N 0.76 0.31 0.00 0.00 1.57 -0.07 1.26 116.57 120.40 1x60 h LYS 67 Ca 0.15 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.85 1x60 h LYS 67 Cb 0.46 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1x60 h LYS 67 CO 0.02 0.27 -0.24 -0.97 -0.57 0.00 0.00 179.45 177.96 1x60 h ASN 68 N 0.26 0.00 1.57 0.86 -0.73 -0.73 -2.32 115.58 114.49 1x60 h ASN 68 Ca 0.08 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.21 1x60 h ASN 68 Cb 0.05 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.64 1x60 h ASN 68 CO -0.01 0.24 -0.17 0.00 -0.37 0.00 0.00 177.43 177.12 1x60 h ALA 69 N 1.76 0.91 0.00 1.57 0.00 0.19 -3.47 119.26 120.23 1x60 h ALA 69 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1x60 h ALA 69 Cb 0.63 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1x60 h ALA 69 CO 0.03 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.90 1x60 n GLY 70 N 0.85 1.73 3.16 0.00 0.00 0.55 -5.03 105.19 106.45 1x60 n GLY 70 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 1x60 n GLY 70 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x60 s PHE 71 N -2.00 1.19 -1.22 1.61 0.08 0.40 -4.98 117.98 113.06 1x60 s PHE 71 Ca 0.00 -0.44 -0.09 0.00 0.12 0.00 0.00 56.93 56.53 1x60 s PHE 71 Cb 0.00 -0.68 0.20 0.00 -0.57 0.00 0.00 43.02 41.97 1x60 s PHE 71 CO 0.00 0.05 1.70 -3.47 -0.10 0.00 0.00 175.22 173.40 1x60 n ASP 72 N 1.42 5.42 -4.79 1.36 -0.08 -1.26 -1.62 116.55 117.00 1x60 n ASP 72 Ca -0.21 -3.16 -0.38 0.00 -1.51 0.00 0.00 54.79 49.53 1x60 n ASP 72 Cb 0.54 -1.44 -0.06 0.00 2.34 0.00 0.00 41.12 42.50 1x60 n ASP 72 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1x60 s ALA 73 N -0.24 3.46 0.07 -1.67 0.00 -1.26 -4.06 121.76 118.06 1x60 s ALA 73 Ca 0.38 0.26 0.03 0.00 0.00 0.00 0.00 51.96 52.63 1x60 s ALA 73 Cb 0.06 -2.87 -0.03 0.00 0.00 0.00 0.00 23.12 20.28 1x60 s ALA 73 CO 0.02 0.32 -0.10 0.96 0.00 0.00 0.00 175.76 176.96 1x60 s ILE 74 N -1.26 0.78 -0.13 0.00 -4.36 0.17 -4.69 121.20 111.71 1x60 s ILE 74 Ca 0.37 -1.38 -0.05 0.00 -0.26 0.00 0.00 60.65 59.33 1x60 s ILE 74 Cb -0.21 -1.03 -0.04 0.00 1.25 0.00 0.00 42.46 42.44 1x60 s ILE 74 CO 0.24 -0.46 0.04 -0.69 0.24 0.00 0.00 174.94 174.31 1x60 s VAL 75 N -1.91 4.66 -0.00 8.37 1.01 -1.26 0.50 120.40 131.77 1x60 s VAL 75 Ca -0.02 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.87 1x60 s VAL 75 Cb -0.06 -3.03 -0.00 0.00 0.00 0.00 0.00 36.38 33.28 1x60 s VAL 75 CO 0.00 0.54 -0.03 -0.51 0.00 0.00 0.00 175.10 175.10 1x60 s ILE 76 N -0.31 0.24 -0.49 2.22 2.07 -0.48 -4.99 121.20 119.46 1x60 s ILE 76 Ca 0.08 -0.18 -0.19 0.00 -1.41 0.00 0.00 60.65 58.95 1x60 s ILE 76 Cb -0.12 -0.22 0.05 0.00 0.13 0.00 0.00 42.46 42.30 1x60 s ILE 76 CO 0.02 0.04 0.59 -0.22 -1.91 0.00 0.00 174.94 173.46 1x60 s LEU 77 N -0.15 4.98 -0.41 8.50 2.96 -1.25 -2.44 118.68 130.86 1x60 s LEU 77 Ca 0.00 -0.89 -0.19 0.00 -0.22 0.00 0.00 54.13 52.83 1x60 s LEU 77 Cb -0.02 -2.44 0.02 0.00 0.50 0.00 0.00 46.19 44.25 1x60 s LEU 77 CO -0.00 -0.84 0.53 -1.61 -1.32 0.00 0.00 176.35 173.11 1x60 s GLU 78 N 2.52 3.27 0.00 1.98 2.02 0.11 -4.75 118.70 123.85 1x60 s GLU 78 Ca 0.14 -0.49 0.04 0.00 0.02 0.00 0.00 54.97 54.69 1x60 s GLU 78 Cb -0.19 -3.93 0.24 0.00 0.10 0.00 0.00 34.13 30.35 1x60 s GLU 78 CO 0.12 -0.87 0.72 0.43 0.02 0.00 0.00 175.26 175.67