#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ss6 n SER 2 N 0.00 2.60 0.00 1.61 7.64 -1.26 -4.91 113.62 119.30 1ss6 n SER 2 Ca 0.00 -2.93 0.00 0.00 1.01 0.00 0.00 58.87 56.95 1ss6 n SER 2 Cb 0.00 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 1ss6 n SER 2 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1ss6 n GLU 3 N -0.54 0.00 -2.43 1.43 4.07 -1.26 -4.98 120.64 116.94 1ss6 n GLU 3 Ca 0.21 0.00 -0.38 0.00 -0.06 0.00 0.00 57.16 56.93 1ss6 n GLU 3 Cb 0.90 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 32.24 1ss6 n GLU 3 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1ss6 s LYS 4 N 0.00 3.28 0.00 5.31 2.20 -1.26 -4.82 119.74 124.45 1ss6 s LYS 4 Ca 0.00 -0.76 0.00 0.00 -0.36 0.00 0.00 55.97 54.85 1ss6 s LYS 4 Cb 0.00 -5.10 0.00 0.00 -1.51 0.00 0.00 37.83 31.22 1ss6 s LYS 4 CO 0.00 -2.47 0.00 0.54 -0.36 0.00 0.00 175.35 173.06 1ss6 n ARG 5 N 8.96 0.00 -4.94 4.03 1.74 -1.26 -4.88 116.66 120.31 1ss6 n ARG 5 Ca 0.30 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 57.11 1ss6 n ARG 5 Cb 0.50 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.78 1ss6 n ARG 5 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1ss6 s GLN 6 N 0.00 1.81 -0.79 5.56 -0.21 -1.26 -5.05 119.66 119.72 1ss6 s GLN 6 Ca 0.00 -0.69 0.02 0.00 0.02 0.00 0.00 55.36 54.71 1ss6 s GLN 6 Cb 0.00 -1.63 0.32 0.00 1.00 0.00 0.00 33.01 32.70 1ss6 s GLN 6 CO 0.00 0.34 1.29 0.72 -2.12 0.00 0.00 175.29 175.52 1ss6 n HIS 7 N 2.89 3.41 -0.95 0.91 8.25 -1.26 -4.64 115.22 123.82 1ss6 n HIS 7 Ca -0.17 -3.38 0.04 0.00 -0.26 0.00 0.00 57.72 53.95 1ss6 n HIS 7 Cb 0.53 -0.82 0.38 0.00 1.12 0.00 0.00 29.99 31.20 1ss6 n HIS 7 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1ss6 n SER 8 N 0.06 5.48 -0.01 0.41 7.64 -1.26 -4.48 113.62 121.46 1ss6 n SER 8 Ca 0.36 -3.02 -0.12 0.00 1.01 0.00 0.00 58.87 57.10 1ss6 n SER 8 Cb 0.34 -0.70 -0.08 0.00 -1.01 0.00 0.00 64.21 62.76 1ss6 n SER 8 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1ss6 h SER 9 N 3.60 0.07 -6.67 6.43 0.02 -1.89 -3.32 113.55 111.79 1ss6 h SER 9 Ca 0.07 -0.27 -0.54 0.00 -0.84 0.00 0.00 61.79 60.21 1ss6 h SER 9 Cb 2.07 -0.02 -0.17 0.00 0.14 0.00 0.00 62.40 64.42 1ss6 h SER 9 CO 0.55 0.32 -0.83 0.00 -1.14 0.00 0.00 176.83 175.74 1ss6 n GLN 10 N -4.91 -3.52 -2.14 3.45 6.02 -1.26 -2.25 117.38 112.76 1ss6 n GLN 10 Ca -0.07 0.41 -0.42 0.00 -0.01 0.00 0.00 57.00 56.91 1ss6 n GLN 10 Cb 0.16 -5.12 -0.03 0.00 1.02 0.00 0.00 30.24 26.28 1ss6 n GLN 10 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1ss6 s ASP 11 N -3.37 5.87 0.04 1.08 -4.77 -1.26 -3.74 116.67 110.52 1ss6 s ASP 11 Ca 0.68 0.83 -0.03 0.00 -3.30 0.00 0.00 52.55 50.73 1ss6 s ASP 11 Cb -0.37 -2.53 -0.02 0.00 -1.09 0.00 0.00 42.92 38.91 1ss6 s ASP 11 CO 0.91 -1.81 0.05 0.54 0.70 0.00 0.00 175.17 175.56 1ss6 s VAL 12 N 6.99 0.15 -0.11 2.11 0.11 -0.14 -5.00 120.40 124.50 1ss6 s VAL 12 Ca 0.69 -1.20 0.00 0.00 -2.93 0.00 0.00 61.98 58.55 1ss6 s VAL 12 Cb -0.17 -0.89 -0.02 0.00 -1.53 0.00 0.00 36.38 33.78 1ss6 s VAL 12 CO 0.29 -0.66 -0.11 -1.00 -3.33 0.00 0.00 175.10 170.29 1ss6 s HIS 13 N -2.63 2.84 0.07 1.54 3.76 -1.26 -1.55 115.29 118.07 1ss6 s HIS 13 Ca -0.05 -0.39 0.02 0.00 -0.15 0.00 0.00 55.06 54.49 1ss6 s HIS 13 Cb -0.01 -1.80 -0.04 0.00 1.11 0.00 0.00 32.58 31.84 1ss6 s HIS 13 CO -0.05 -0.02 0.13 0.08 -0.85 0.00 0.00 174.74 174.03 1ss6 s VAL 14 N -0.03 4.89 -0.13 -0.90 1.01 0.16 -4.88 120.40 120.52 1ss6 s VAL 14 Ca -0.02 -0.61 -0.20 0.00 0.00 0.00 0.00 61.98 61.15 1ss6 s VAL 14 Cb -0.14 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 1ss6 s VAL 14 CO 0.04 0.13 0.58 0.54 0.00 0.00 0.00 175.10 176.38 1ss6 s VAL 15 N -1.44 5.10 -0.22 2.92 0.11 -1.26 -0.04 120.40 125.57 1ss6 s VAL 15 Ca 0.32 1.14 0.02 0.00 -2.93 0.00 0.00 61.98 60.52 1ss6 s VAL 15 Cb -0.13 -3.91 0.04 0.00 -1.53 0.00 0.00 36.38 30.85 1ss6 s VAL 15 CO 0.24 0.24 -0.14 -0.22 -3.33 0.00 0.00 175.10 171.89 1ss6 s LEU 16 N 1.07 2.86 0.03 2.54 0.20 0.18 -2.34 118.68 123.23 1ss6 s LEU 16 Ca 0.29 -1.01 0.01 0.00 0.69 0.00 0.00 54.13 54.11 1ss6 s LEU 16 Cb -0.16 -1.54 -0.04 0.00 -0.43 0.00 0.00 46.19 44.03 1ss6 s LEU 16 CO 0.12 -0.10 0.10 -0.54 -0.29 0.00 0.00 176.35 175.64 1ss6 s LYS 17 N 1.21 3.05 -0.08 1.98 1.02 0.11 0.39 119.74 127.41 1ss6 s LYS 17 Ca -0.02 -0.56 -0.10 0.00 0.02 0.00 0.00 55.97 55.32 1ss6 s LYS 17 Cb -0.17 -2.83 -0.05 0.00 -0.52 0.00 0.00 37.83 34.26 1ss6 s LYS 17 CO -0.08 0.61 0.23 -0.51 -0.92 0.00 0.00 175.35 174.68 1ss6 s LEU 18 N -2.08 4.42 0.36 3.17 2.01 0.23 -0.99 118.68 125.79 1ss6 s LEU 18 Ca 0.27 0.64 0.03 0.00 0.01 0.00 0.00 54.13 55.08 1ss6 s LEU 18 Cb -0.12 -2.25 -0.04 0.00 0.01 0.00 0.00 46.19 43.79 1ss6 s LEU 18 CO 0.19 0.38 0.09 0.26 1.01 0.00 0.00 176.35 178.28 1ss6 s TRP 19 N -1.05 1.84 0.34 0.29 0.52 0.15 -1.03 118.94 120.00 1ss6 s TRP 19 Ca 0.18 -1.13 0.04 0.00 0.02 0.00 0.00 56.10 55.22 1ss6 s TRP 19 Cb -0.14 -1.19 0.63 0.00 -1.15 0.00 0.00 33.47 31.62 1ss6 s TRP 19 CO 0.07 -0.16 1.90 1.57 0.02 0.00 0.00 176.95 180.35 1ss6 h LYS 20 N 1.99 0.55 0.00 4.98 5.09 -1.03 -3.27 116.57 124.88 1ss6 h LYS 20 Ca -0.38 -0.10 0.00 0.00 0.09 0.00 0.00 60.65 60.26 1ss6 h LYS 20 Cb 1.26 -0.09 0.00 0.00 0.10 0.00 0.00 32.23 33.50 1ss6 h LYS 20 CO 0.63 0.54 -1.00 0.45 -2.09 0.00 0.00 179.45 177.98 1ss6 n SER 21 N -4.31 2.91 0.00 7.07 2.88 -1.26 -5.03 113.62 115.88 1ss6 n SER 21 Ca 0.02 -0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 1ss6 n SER 21 Cb 0.21 1.18 0.00 0.00 -0.75 0.00 0.00 64.21 64.86 1ss6 n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ss6 n GLY 22 N 1.93 3.23 3.16 0.46 0.00 -1.23 -0.17 105.19 112.58 1ss6 n GLY 22 Ca -0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.16 1ss6 n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ss6 s PHE 23 N -2.41 -0.29 -0.18 1.61 -0.71 0.14 0.30 117.98 116.45 1ss6 s PHE 23 Ca 0.00 0.69 -0.03 0.00 -1.04 0.00 0.00 56.93 56.55 1ss6 s PHE 23 Cb 0.00 0.10 -0.02 0.00 -1.21 0.00 0.00 43.02 41.89 1ss6 s PHE 23 CO 0.00 -0.15 -0.06 0.45 -1.34 0.00 0.00 175.22 174.11 1ss6 s SER 24 N 0.06 4.41 -0.43 1.98 0.15 -0.17 -0.20 113.70 119.51 1ss6 s SER 24 Ca -0.01 -0.28 0.05 0.00 0.70 0.00 0.00 55.95 56.40 1ss6 s SER 24 Cb -0.02 -1.72 0.44 0.00 -1.71 0.00 0.00 66.02 63.00 1ss6 s SER 24 CO 0.01 0.09 1.33 0.00 1.20 0.00 0.00 173.24 175.86 1ss6 n LEU 25 N 4.06 5.38 0.00 3.45 -0.00 -1.23 0.05 117.00 128.71 1ss6 n LEU 25 Ca -0.18 -4.87 0.00 0.00 -0.00 0.00 0.00 56.01 50.97 1ss6 n LEU 25 Cb 0.52 -0.51 0.00 0.00 -0.00 0.00 0.00 43.42 43.43 1ss6 n LEU 25 CO 0.31 2.05 0.00 -0.67 -0.00 0.00 0.00 177.39 179.08 1ss6 n ASP 26 N -0.64 0.00 -0.28 1.45 2.03 -0.99 -4.36 116.55 113.76 1ss6 n ASP 26 Ca 0.45 0.00 0.04 0.00 0.52 0.00 0.00 54.79 55.81 1ss6 n ASP 26 Cb 0.77 0.00 0.19 0.00 -0.72 0.00 0.00 41.12 41.36 1ss6 n ASP 26 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1ss6 h ASN 27 N 0.00 0.55 0.00 1.67 7.08 -1.94 -3.00 115.58 119.94 1ss6 h ASN 27 Ca 0.00 0.07 -0.04 0.00 -3.08 0.00 0.00 56.30 53.25 1ss6 h ASN 27 Cb 0.00 -0.02 -0.10 0.00 -2.08 0.00 0.00 38.32 36.12 1ss6 h ASN 27 CO 0.00 0.28 -0.54 0.61 -2.08 0.00 0.00 177.43 175.70 1ss6 n GLY 28 N -1.32 3.64 7.00 9.14 0.00 -1.26 -5.11 105.19 117.28 1ss6 n GLY 28 Ca 0.15 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.13 1ss6 n GLY 28 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ss6 n GLU 29 N -0.67 0.00 -2.27 1.61 1.02 -1.14 -4.46 120.64 114.73 1ss6 n GLU 29 Ca 0.13 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.85 1ss6 n GLU 29 Cb 0.79 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 32.19 1ss6 n GLU 29 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1ss6 s LEU 30 N 0.00 3.78 -0.21 -4.62 0.20 -1.26 -3.66 118.68 112.91 1ss6 s LEU 30 Ca 0.00 1.25 -0.02 0.00 0.69 0.00 0.00 54.13 56.05 1ss6 s LEU 30 Cb 0.00 -3.54 0.00 0.00 -0.43 0.00 0.00 46.19 42.23 1ss6 s LEU 30 CO 0.00 -1.27 -0.10 -0.13 -0.29 0.00 0.00 176.35 174.56 1ss6 s ARG 31 N 4.64 3.22 0.45 1.98 0.52 0.72 -4.84 118.95 125.64 1ss6 s ARG 31 Ca 0.64 -0.71 -0.25 0.00 -0.52 0.00 0.00 55.73 54.88 1ss6 s ARG 31 Cb -0.19 -2.86 -0.09 0.00 0.52 0.00 0.00 34.95 32.34 1ss6 s ARG 31 CO 0.28 -0.21 1.43 -1.13 0.02 0.00 0.00 175.30 175.69 1ss6 n SER 32 N 4.73 3.30 0.29 0.23 3.41 -1.26 0.27 113.62 124.60 1ss6 n SER 32 Ca -0.19 1.12 0.17 0.00 -0.26 0.00 0.00 58.87 59.71 1ss6 n SER 32 Cb 0.50 -1.60 0.90 0.00 -0.26 0.00 0.00 64.21 63.75 1ss6 n SER 32 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 1ss6 h TYR 33 N 2.30 0.00 0.00 7.33 0.05 -0.87 -2.71 116.97 123.07 1ss6 h TYR 33 Ca -0.51 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.05 1ss6 h TYR 33 Cb 1.27 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.98 1ss6 h TYR 33 CO 0.50 0.05 -1.10 1.96 -1.05 0.00 0.00 178.16 178.51 1ss6 h GLN 34 N 0.00 0.00 -6.35 4.88 4.20 -1.90 -3.43 115.11 112.50 1ss6 h GLN 34 Ca -0.00 -0.00 -0.54 0.00 0.06 0.00 0.00 58.65 58.17 1ss6 h GLN 34 Cb 0.21 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.99 1ss6 h GLN 34 CO 0.01 0.93 1.05 -0.51 -0.67 0.00 0.00 178.83 179.63 1ss6 s ASP 35 N -6.62 6.63 0.64 1.46 1.11 -1.02 -4.88 116.67 113.99 1ss6 s ASP 35 Ca 0.00 2.37 0.40 0.00 0.18 0.00 0.00 52.55 55.50 1ss6 s ASP 35 Cb 0.10 -2.55 2.21 0.00 1.07 0.00 0.00 42.92 43.75 1ss6 s ASP 35 CO 0.82 -0.91 2.33 -0.65 1.18 0.00 0.00 175.17 177.94 1ss6 h PRO 36 N 9.02 0.00 0.00 8.23 0.11 -1.89 -0.39 132.00 147.08 1ss6 h PRO 36 Ca -0.41 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.62 1ss6 h PRO 36 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1ss6 h PRO 36 CO 0.94 0.00 -0.36 0.77 -0.21 0.00 0.00 178.00 179.14 1ss6 h SER 37 N 0.00 0.00 0.64 -2.05 0.02 -1.94 -2.97 113.55 107.25 1ss6 h SER 37 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ss6 h SER 37 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1ss6 h SER 37 CO 0.00 0.36 -1.06 0.59 -1.14 0.00 0.00 176.83 175.58 1ss6 n ASN 38 N -3.38 0.64 0.20 3.07 3.02 -0.17 -3.80 115.26 114.83 1ss6 n ASN 38 Ca 0.01 0.04 0.07 0.00 -0.03 0.00 0.00 54.58 54.67 1ss6 n ASN 38 Cb 0.55 0.70 0.58 0.00 -0.61 0.00 0.00 39.78 41.01 1ss6 n ASN 38 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ss6 h ALA 39 N 2.30 1.90 0.08 5.41 0.00 -1.34 -1.23 119.26 126.38 1ss6 h ALA 39 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1ss6 h ALA 39 Cb 0.85 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.56 1ss6 h ALA 39 CO 0.00 0.08 -0.27 0.37 0.00 0.00 0.00 179.25 179.43 1ss6 h GLN 40 N 0.12 -0.44 0.82 0.00 -0.00 -1.70 -1.32 115.11 112.59 1ss6 h GLN 40 Ca 0.03 0.03 -0.04 0.00 -0.00 0.00 0.00 58.65 58.68 1ss6 h GLN 40 Cb 0.02 0.10 -0.00 0.00 0.00 0.00 0.00 27.48 27.60 1ss6 h GLN 40 CO -0.00 -0.29 -0.50 0.74 0.00 0.00 0.00 178.83 178.77 1ss6 h PHE 41 N -0.45 -1.33 -0.37 3.99 0.04 -1.57 -2.15 116.94 115.09 1ss6 h PHE 41 Ca 0.04 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.83 1ss6 h PHE 41 Cb 0.50 0.47 -0.04 0.00 2.20 0.00 0.00 35.95 39.08 1ss6 h PHE 41 CO -0.26 -0.75 -0.22 1.28 -0.60 0.00 0.00 178.31 177.76 1ss6 n LEU 42 N -5.64 -0.39 -0.13 1.54 4.77 -0.54 -0.37 117.00 116.25 1ss6 n LEU 42 Ca -0.15 1.22 -0.11 0.00 -0.03 0.00 0.00 56.01 56.93 1ss6 n LEU 42 Cb 0.51 -0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 41.21 1ss6 n LEU 42 CO 0.35 -0.82 0.72 -0.08 -1.33 0.00 0.00 177.39 176.23 1ss6 h GLU 43 N 0.00 0.71 -0.85 3.23 4.81 -1.30 -0.47 114.58 120.71 1ss6 h GLU 43 Ca 0.06 -0.27 0.02 0.00 -0.13 0.00 0.00 59.36 59.04 1ss6 h GLU 43 Cb 0.15 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.45 1ss6 h GLU 43 CO -0.35 0.86 0.56 0.77 -0.73 0.00 0.00 179.01 180.12 1ss6 h SER 44 N 0.51 0.95 1.01 1.04 0.02 -0.83 0.43 113.55 116.68 1ss6 h SER 44 Ca 0.09 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.95 1ss6 h SER 44 Cb 0.60 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1ss6 h SER 44 CO 0.04 0.67 -0.34 0.40 -1.14 0.00 0.00 176.83 176.45 1ss6 h ILE 45 N 1.11 0.76 0.02 3.27 2.04 -0.49 0.33 117.51 124.54 1ss6 h ILE 45 Ca 0.33 -1.51 -0.22 0.00 1.00 0.00 0.00 64.86 64.45 1ss6 h ILE 45 Cb -0.07 1.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.98 1ss6 h ILE 45 CO -0.09 0.34 -0.95 0.03 0.00 0.00 0.00 178.15 177.47 1ss6 h ARG 46 N 0.00 0.28 0.00 2.37 3.08 0.26 -3.13 114.38 117.25 1ss6 h ARG 46 Ca -0.00 -0.33 0.00 0.00 0.07 0.00 0.00 59.98 59.71 1ss6 h ARG 46 Cb 0.94 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.09 1ss6 h ARG 46 CO 0.04 1.05 0.00 0.54 -1.07 0.00 0.00 179.97 180.53 1ss6 n ARG 47 N -3.67 0.13 -0.81 0.04 5.12 0.14 -4.87 116.66 112.75 1ss6 n ARG 47 Ca -0.05 0.27 0.00 0.00 -1.93 0.00 0.00 57.85 56.13 1ss6 n ARG 47 Cb 0.85 -1.71 0.00 0.00 -1.16 0.00 0.00 32.46 30.44 1ss6 n ARG 47 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ss6 n GLY 48 N 0.54 0.61 3.83 -0.13 0.00 -0.92 -5.07 105.19 104.05 1ss6 n GLY 48 Ca 0.04 -0.75 -0.22 0.00 0.00 0.00 0.00 46.02 45.10 1ss6 n GLY 48 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ss6 s GLU 49 N -1.66 2.53 -0.16 1.61 2.02 0.11 -5.01 118.70 118.15 1ss6 s GLU 49 Ca 0.00 -1.50 -0.05 0.00 0.02 0.00 0.00 54.97 53.44 1ss6 s GLU 49 Cb 0.00 -2.33 -0.04 0.00 0.10 0.00 0.00 34.13 31.86 1ss6 s GLU 49 CO 0.00 -0.05 0.03 0.54 0.02 0.00 0.00 175.26 175.80 1ss6 s VAL 50 N -2.43 4.47 0.37 2.63 0.11 -1.26 -3.69 120.40 120.60 1ss6 s VAL 50 Ca 0.43 -0.15 -0.26 0.00 -2.93 0.00 0.00 61.98 59.07 1ss6 s VAL 50 Cb -0.03 -2.98 -0.09 0.00 -1.53 0.00 0.00 36.38 31.75 1ss6 s VAL 50 CO 0.26 0.50 1.16 -2.84 -3.33 0.00 0.00 175.10 170.85 1ss6 s PRO 51 N 0.13 4.20 0.55 1.54 0.02 -1.26 -4.92 135.00 135.26 1ss6 s PRO 51 Ca 0.03 1.83 0.30 0.00 0.02 0.00 0.00 61.00 63.18 1ss6 s PRO 51 Cb -0.13 -2.79 1.63 0.00 0.02 0.00 0.00 34.50 33.23 1ss6 s PRO 51 CO 0.01 -0.20 2.14 0.00 -0.33 0.00 0.00 177.00 178.63 1ss6 h ALA 52 N 2.90 1.28 -0.93 -1.55 0.00 -1.98 -1.13 119.26 117.85 1ss6 h ALA 52 Ca -0.48 -0.07 0.08 0.00 0.00 0.00 0.00 54.91 54.43 1ss6 h ALA 52 Cb 1.23 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 1ss6 h ALA 52 CO 0.63 0.09 0.60 0.93 0.00 0.00 0.00 179.25 181.51 1ss6 h GLU 53 N 0.00 1.00 0.08 0.00 3.07 -1.92 0.47 114.58 117.27 1ss6 h GLU 53 Ca -0.00 -0.06 -0.30 0.00 -0.50 0.00 0.00 59.36 58.50 1ss6 h GLU 53 Cb 0.24 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 1ss6 h GLU 53 CO 0.01 0.66 -1.59 -0.07 -1.40 0.00 0.00 179.01 176.62 1ss6 h LEU 54 N 1.03 0.25 -0.81 1.33 3.38 -1.61 -3.31 115.31 115.57 1ss6 h LEU 54 Ca 0.41 -0.40 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 1ss6 h LEU 54 Cb 0.26 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1ss6 h LEU 54 CO -0.17 1.34 -0.19 0.03 0.09 0.00 0.00 178.44 179.55 1ss6 h ARG 55 N 0.04 0.68 -1.76 1.13 2.47 -1.12 0.31 114.38 116.13 1ss6 h ARG 55 Ca -0.26 -0.25 -0.20 0.00 -1.26 0.00 0.00 59.98 58.01 1ss6 h ARG 55 Cb 1.99 -0.04 -0.08 0.00 -1.65 0.00 0.00 29.97 30.19 1ss6 h ARG 55 CO 0.13 0.83 0.21 0.54 0.56 0.00 0.00 179.97 182.23 1ss6 n ARG 56 N -4.14 1.53 0.08 0.04 5.12 0.16 -3.78 116.66 115.68 1ss6 n ARG 56 Ca 0.00 -0.97 0.00 0.00 -1.93 0.00 0.00 57.85 54.96 1ss6 n ARG 56 Cb 0.40 -1.42 0.00 0.00 -1.16 0.00 0.00 32.46 30.27 1ss6 n ARG 56 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1ss6 n LEU 57 N 0.95 -0.82 -4.88 0.55 0.00 -0.75 -4.95 117.00 107.09 1ss6 n LEU 57 Ca 0.20 0.29 -0.32 0.00 0.00 0.00 0.00 56.01 56.18 1ss6 n LEU 57 Cb 0.56 0.94 -0.05 0.00 0.00 0.00 0.00 43.42 44.87 1ss6 n LEU 57 CO 0.21 -0.43 0.11 0.00 0.00 0.00 0.00 177.39 177.28 1ss6 s ALA 58 N -2.00 3.70 0.00 1.96 0.00 0.10 -5.08 121.76 120.43 1ss6 s ALA 58 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1ss6 s ALA 58 Cb 0.00 -2.26 0.00 0.00 0.00 0.00 0.00 23.12 20.86 1ss6 s ALA 58 CO 0.00 0.60 0.00 0.72 0.00 0.00 0.00 175.76 177.08 1ss6 n HIS 59 N 0.13 -0.10 0.00 0.00 8.25 -1.25 -4.65 115.22 117.61 1ss6 n HIS 59 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1ss6 n HIS 59 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 1ss6 n HIS 59 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ss6 n GLY 60 N 5.00 1.54 0.00 -1.41 0.00 -0.96 -4.14 105.19 105.22 1ss6 n GLY 60 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1ss6 n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ss6 n GLY 61 N 0.00 1.14 2.21 -0.02 0.00 -1.26 -5.01 105.19 102.26 1ss6 n GLY 61 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1ss6 n GLY 61 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ss6 n GLN 62 N 0.00 2.86 -2.96 1.61 7.27 -1.26 -4.79 117.38 120.10 1ss6 n GLN 62 Ca 0.00 -1.64 -0.43 0.00 0.07 0.00 0.00 57.00 55.00 1ss6 n GLN 62 Cb 0.00 -2.44 -0.04 0.00 2.41 0.00 0.00 30.24 30.17 1ss6 n GLN 62 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1ss6 s VAL 63 N 1.81 4.54 0.26 1.69 0.11 -1.26 -0.97 120.40 126.59 1ss6 s VAL 63 Ca 0.65 -0.41 0.04 0.00 -2.93 0.00 0.00 61.98 59.34 1ss6 s VAL 63 Cb 0.23 -4.55 -0.06 0.00 -1.53 0.00 0.00 36.38 30.47 1ss6 s VAL 63 CO -0.03 -1.21 0.00 0.21 -3.33 0.00 0.00 175.10 170.74 1ss6 s ASN 64 N 3.34 2.14 -0.05 3.54 3.04 -0.59 -4.95 114.94 121.40 1ss6 s ASN 64 Ca 0.20 -1.26 0.04 0.00 0.04 0.00 0.00 52.86 51.88 1ss6 s ASN 64 Cb -0.18 -0.05 0.00 0.00 -1.54 0.00 0.00 41.25 39.48 1ss6 s ASN 64 CO 0.11 -0.51 -0.16 -0.22 -3.04 0.00 0.00 177.10 173.29 1ss6 s LEU 65 N -3.38 1.87 0.10 3.21 0.20 -1.26 0.38 118.68 119.79 1ss6 s LEU 65 Ca 0.31 -0.34 0.03 0.00 0.69 0.00 0.00 54.13 54.82 1ss6 s LEU 65 Cb 0.06 -0.93 -0.04 0.00 -0.43 0.00 0.00 46.19 44.85 1ss6 s LEU 65 CO 0.11 0.13 0.11 -1.81 -0.29 0.00 0.00 176.35 174.60 1ss6 s ASP 66 N 0.17 5.63 -0.08 3.68 1.01 0.94 -4.88 116.67 123.14 1ss6 s ASP 66 Ca -0.06 -0.01 0.03 0.00 0.71 0.00 0.00 52.55 53.22 1ss6 s ASP 66 Cb -0.12 -1.53 -0.02 0.00 1.01 0.00 0.00 42.92 42.26 1ss6 s ASP 66 CO 0.03 0.14 -0.18 -0.04 0.21 0.00 0.00 175.17 175.33 1ss6 s MET 67 N -2.60 2.80 -0.04 8.23 -1.94 -1.26 0.50 119.30 124.99 1ss6 s MET 67 Ca 0.30 -0.77 0.06 0.00 -1.71 0.00 0.00 55.69 53.57 1ss6 s MET 67 Cb -0.12 -2.38 -0.01 0.00 2.01 0.00 0.00 34.83 34.33 1ss6 s MET 67 CO 0.23 0.41 -0.23 -1.21 -0.01 0.00 0.00 175.02 174.20 1ss6 s GLU 68 N -0.19 2.25 -0.36 2.03 2.02 0.16 -4.73 118.70 119.88 1ss6 s GLU 68 Ca -0.01 -0.84 -0.10 0.00 0.02 0.00 0.00 54.97 54.04 1ss6 s GLU 68 Cb -0.13 -1.97 0.03 0.00 0.10 0.00 0.00 34.13 32.15 1ss6 s GLU 68 CO 0.03 0.39 0.18 0.34 0.02 0.00 0.00 175.26 176.22 1ss6 s ASP 69 N -0.23 5.61 -0.32 -0.19 -1.08 -1.26 0.76 116.67 119.97 1ss6 s ASP 69 Ca -0.00 -1.03 0.17 0.00 -0.52 0.00 0.00 52.55 51.17 1ss6 s ASP 69 Cb -0.12 -1.98 0.47 0.00 -1.46 0.00 0.00 42.92 39.83 1ss6 s ASP 69 CO 0.02 -0.37 1.04 1.41 0.52 0.00 0.00 175.17 177.79 1ss6 n HIS 70 N 4.95 1.60 -0.10 -5.34 8.25 -0.20 -4.87 115.22 119.50 1ss6 n HIS 70 Ca -0.12 -2.60 -0.11 0.00 -0.26 0.00 0.00 57.72 54.63 1ss6 n HIS 70 Cb 0.46 -0.29 -0.03 0.00 1.12 0.00 0.00 29.99 31.24 1ss6 n HIS 70 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ss6 h ARG 71 N 2.77 0.57 -0.84 -0.41 3.08 -1.66 -1.50 114.38 116.38 1ss6 h ARG 71 Ca -0.02 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 59.78 1ss6 h ARG 71 Cb 1.20 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 31.18 1ss6 h ARG 71 CO 0.47 0.74 0.06 -0.40 -1.07 0.00 0.00 179.97 179.76 1ss6 n ASP 72 N -4.51 3.26 -0.00 7.04 5.75 -1.26 -0.54 116.55 126.29 1ss6 n ASP 72 Ca -0.03 -2.50 0.03 0.00 -0.01 0.00 0.00 54.79 52.28 1ss6 n ASP 72 Cb 0.29 -0.60 -0.04 0.00 -1.03 0.00 0.00 41.12 39.75 1ss6 n ASP 72 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1ss6 n GLU 73 N 0.19 2.96 -0.99 0.11 1.02 -0.59 -5.06 120.64 118.28 1ss6 n GLU 73 Ca 0.16 -0.02 0.12 0.00 -0.02 0.00 0.00 57.16 57.39 1ss6 n GLU 73 Cb 0.76 -0.92 -0.04 0.00 -0.02 0.00 0.00 31.44 31.22 1ss6 n GLU 73 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1ss6 n ASP 74 N -1.38 -5.31 -4.57 1.62 5.68 -1.09 -4.74 116.55 106.77 1ss6 n ASP 74 Ca 0.00 0.50 -0.45 0.00 -0.50 0.00 0.00 54.79 54.34 1ss6 n ASP 74 Cb 0.11 -3.20 -0.04 0.00 -1.14 0.00 0.00 41.12 36.85 1ss6 n ASP 74 CO 0.00 0.00 0.00 0.33 -1.33 0.00 0.00 177.20 176.20 1ss6 n PHE 75 N -3.12 1.90 -3.64 2.11 7.35 -1.26 -4.92 117.46 115.87 1ss6 n PHE 75 Ca -0.01 -0.04 -0.29 0.00 -0.76 0.00 0.00 57.45 56.35 1ss6 n PHE 75 Cb 0.61 -2.68 -0.14 0.00 0.35 0.00 0.00 39.48 37.62 1ss6 n PHE 75 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1ss6 s VAL 76 N 7.85 0.74 0.51 -2.13 0.11 -1.26 -5.14 120.40 121.07 1ss6 s VAL 76 Ca 1.02 -1.72 -0.04 0.00 -2.93 0.00 0.00 61.98 58.31 1ss6 s VAL 76 Cb -0.47 -1.54 -0.01 0.00 -1.53 0.00 0.00 36.38 32.82 1ss6 s VAL 76 CO 0.39 -0.82 0.79 -1.59 -3.33 0.00 0.00 175.10 170.55 1ss6 s LYS 77 N 1.19 3.17 0.47 1.54 -2.85 -1.26 -4.96 119.74 117.03 1ss6 s LYS 77 Ca 0.14 -0.08 0.26 0.00 -1.00 0.00 0.00 55.97 55.29 1ss6 s LYS 77 Cb -0.21 -2.39 0.63 0.00 -2.06 0.00 0.00 37.83 33.80 1ss6 s LYS 77 CO -0.13 -0.41 1.71 -1.00 0.10 0.00 0.00 175.35 175.63 1ss6 h PRO 78 N 0.13 0.00 -5.07 1.78 0.13 -1.95 -2.87 132.00 124.15 1ss6 h PRO 78 Ca -0.46 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 63.95 1ss6 h PRO 78 Cb 1.24 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.22 1ss6 h PRO 78 CO 0.60 0.00 1.65 0.36 -0.23 0.00 0.00 178.00 180.38 1ss6 n LYS 79 N -3.09 3.32 0.00 0.86 2.85 -1.26 -2.87 118.16 117.97 1ss6 n LYS 79 Ca 0.03 -3.66 0.00 0.00 -1.05 0.00 0.00 58.31 53.63 1ss6 n LYS 79 Cb 0.47 -3.18 0.00 0.00 -0.65 0.00 0.00 35.03 31.66 1ss6 n LYS 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ss6 n GLY 80 N 4.47 2.77 0.07 2.58 0.00 -1.26 -4.92 105.19 108.89 1ss6 n GLY 80 Ca 0.41 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 1ss6 n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ss6 h ALA 81 N 0.00 -0.00 0.00 4.61 0.00 -1.67 -3.47 119.26 118.73 1ss6 h ALA 81 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1ss6 h ALA 81 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ss6 h ALA 81 CO 0.00 -0.01 0.00 0.34 0.00 0.00 0.00 179.25 179.58 1ss6 n PHE 82 N -4.65 0.00 0.24 0.00 7.35 -1.14 -4.79 117.46 114.47 1ss6 n PHE 82 Ca -0.08 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 56.69 1ss6 n PHE 82 Cb 0.39 -0.45 0.59 0.00 0.35 0.00 0.00 39.48 40.36 1ss6 n PHE 82 CO 0.00 0.00 0.00 1.57 -0.76 0.00 0.00 176.76 177.57 1ss6 h LYS 83 N 1.12 0.00 0.00 -4.13 2.10 -1.87 -3.48 116.57 110.31 1ss6 h LYS 83 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ss6 h LYS 83 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1ss6 h LYS 83 CO 0.00 0.17 0.00 0.00 -2.00 0.00 0.00 179.45 177.62 1ss6 n ALA 84 N -2.41 0.00 -3.48 0.07 0.00 -1.26 -4.93 120.51 108.51 1ss6 n ALA 84 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.42 1ss6 n ALA 84 Cb 0.25 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.66 1ss6 n ALA 84 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1ss6 s PHE 85 N 0.00 -0.86 -0.11 0.00 5.36 -1.26 -5.09 117.98 116.02 1ss6 s PHE 85 Ca 0.00 1.50 -0.07 0.00 -0.96 0.00 0.00 56.93 57.40 1ss6 s PHE 85 Cb 0.00 0.52 -0.02 0.00 -0.34 0.00 0.00 43.02 43.18 1ss6 s PHE 85 CO 0.00 -0.43 -0.14 0.25 -1.46 0.00 0.00 175.22 173.45 1ss6 n THR 86 N 5.07 1.06 -3.07 0.12 -2.24 -1.26 -4.88 114.28 109.08 1ss6 n THR 86 Ca -0.10 0.29 -0.02 0.00 -2.27 0.00 0.00 64.05 61.95 1ss6 n THR 86 Cb 0.52 -2.17 0.00 0.00 -2.10 0.00 0.00 70.33 66.58 1ss6 n THR 86 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ss6 n GLY 87 N 1.65 -1.24 4.56 3.38 0.00 -1.26 -2.96 105.19 109.31 1ss6 n GLY 87 Ca -0.05 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1ss6 n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ss6 n GLU 88 N -1.65 0.00 0.00 1.61 1.02 -1.26 -2.76 120.64 117.60 1ss6 n GLU 88 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1ss6 n GLU 88 Cb 0.51 -0.13 0.00 0.00 -0.02 0.00 0.00 31.44 31.79 1ss6 n GLU 88 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ss6 n GLY 89 N 0.00 1.12 3.30 0.62 0.00 -1.16 -5.05 105.19 104.02 1ss6 n GLY 89 Ca 0.00 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 1ss6 n GLY 89 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ss6 n GLN 90 N 0.00 -1.62 0.00 1.61 7.27 -1.11 -4.81 117.38 118.72 1ss6 n GLN 90 Ca 0.00 1.05 0.00 0.00 0.07 0.00 0.00 57.00 58.12 1ss6 n GLN 90 Cb 0.00 -5.18 0.00 0.00 2.41 0.00 0.00 30.24 27.47 1ss6 n GLN 90 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 1ss6 n LYS 91 N -2.74 0.00 -4.07 3.69 2.85 -1.26 -4.27 118.16 112.36 1ss6 n LYS 91 Ca -0.07 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.91 1ss6 n LYS 91 Cb 0.57 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.92 1ss6 n LYS 91 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1ss6 n LEU 92 N -1.77 -1.90 0.00 -5.58 4.77 -1.26 -4.70 117.00 106.55 1ss6 n LEU 92 Ca 0.00 -1.06 0.00 0.00 -0.03 0.00 0.00 56.01 54.92 1ss6 n LEU 92 Cb 0.00 -2.08 0.00 0.00 -2.33 0.00 0.00 43.42 39.01 1ss6 n LEU 92 CO 0.00 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1ss6 n GLY 93 N -1.97 0.79 3.71 -0.72 0.00 -1.26 -5.01 105.19 100.72 1ss6 n GLY 93 Ca -0.24 0.30 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 1ss6 n GLY 93 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ss6 n SER 94 N 0.00 -4.89 -4.61 1.61 7.64 -1.26 -4.89 113.62 107.22 1ss6 n SER 94 Ca 0.00 -0.66 -0.43 0.00 1.01 0.00 0.00 58.87 58.79 1ss6 n SER 94 Cb 0.00 -4.54 -0.02 0.00 -1.01 0.00 0.00 64.21 58.64 1ss6 n SER 94 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1ss6 s THR 95 N -3.35 3.96 -0.37 0.44 -1.32 -1.26 -4.88 115.64 108.85 1ss6 s THR 95 Ca 0.50 1.01 0.12 0.00 -1.21 0.00 0.00 61.69 62.11 1ss6 s THR 95 Cb -0.24 -4.17 0.36 0.00 -1.51 0.00 0.00 72.50 66.94 1ss6 s THR 95 CO 0.77 -0.67 0.78 0.00 -2.21 0.00 0.00 174.62 173.30 1ss6 n ALA 96 N 8.49 1.87 -1.58 11.08 0.00 -1.26 -5.12 120.51 133.98 1ss6 n ALA 96 Ca 0.16 -3.20 0.00 0.00 0.00 0.00 0.00 53.44 50.40 1ss6 n ALA 96 Cb 0.47 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1ss6 n ALA 96 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1ss6 n PRO 97 N 0.25 2.34 -3.91 0.00 -0.04 -1.26 -5.05 135.00 127.34 1ss6 n PRO 97 Ca 0.22 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.39 1ss6 n PRO 97 Cb 0.68 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 34.01 1ss6 n PRO 97 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1ss6 s GLN 98 N 1.82 2.35 -0.14 0.54 2.00 -1.26 -4.77 119.66 120.20 1ss6 s GLN 98 Ca 0.00 -3.15 -0.10 0.00 -2.00 0.00 0.00 55.36 50.11 1ss6 s GLN 98 Cb 0.00 -3.41 -0.06 0.00 0.80 0.00 0.00 33.01 30.34 1ss6 s GLN 98 CO 0.00 -1.24 -0.03 0.28 -0.50 0.00 0.00 175.29 173.81 1ss6 h VAL 99 N 4.70 0.24 0.00 1.34 2.07 -1.97 -3.50 116.25 119.13 1ss6 h VAL 99 Ca 0.08 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.35 1ss6 h VAL 99 Cb 0.79 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1ss6 h VAL 99 CO 0.71 0.08 0.00 -0.11 0.02 0.00 0.00 177.57 178.27 1ss6 n LEU 100 N -4.62 0.00 -4.34 2.57 7.94 -1.26 -5.03 117.00 112.26 1ss6 n LEU 100 Ca -0.10 0.00 -0.46 0.00 -1.11 0.00 0.00 56.01 54.35 1ss6 n LEU 100 Cb 0.28 0.07 -0.01 0.00 0.53 0.00 0.00 43.42 44.30 1ss6 n LEU 100 CO 0.11 -0.07 0.66 -0.94 -1.11 0.00 0.00 177.39 176.04 1ss6 s SER 101 N 0.02 7.13 0.00 1.96 1.04 -1.26 -5.20 113.70 117.39 1ss6 s SER 101 Ca 0.00 -3.27 0.00 0.00 0.48 0.00 0.00 55.95 53.16 1ss6 s SER 101 Cb 0.00 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 63.91 1ss6 s SER 101 CO 0.00 -0.39 0.06 0.41 0.98 0.00 0.00 173.24 174.29