#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 0.81 -0.15 1.61 2.88 -1.26 -4.11 113.62 113.41 1ss6 n SER 2 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 1ss6 n SER 2 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.50 1ss6 n SER 2 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 1ss6 h GLU 3 N 0.00 0.42 -3.11 -1.46 4.11 -2.08 -3.14 114.58 109.32 1ss6 h GLU 3 Ca 0.00 -0.03 -0.63 0.00 0.07 0.00 0.00 59.36 58.77 1ss6 h GLU 3 Cb 0.95 -0.09 -0.41 0.00 0.50 0.00 0.00 28.75 29.70 1ss6 h GLU 3 CO 0.00 0.28 -0.48 1.63 0.07 0.00 0.00 179.01 180.50 1ss6 n LYS 4 N -4.92 2.01 -0.25 1.06 5.02 -1.26 -4.93 118.16 114.89 1ss6 n LYS 4 Ca 0.03 -4.50 0.04 0.00 -2.02 0.00 0.00 58.31 51.87 1ss6 n LYS 4 Cb 0.13 -2.31 0.17 0.00 -0.02 0.00 0.00 35.03 33.00 1ss6 n LYS 4 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 1ss6 h ARG 5 N 5.46 0.41 0.00 1.97 9.65 -1.70 -3.44 114.38 126.73 1ss6 h ARG 5 Ca 0.15 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.01 1ss6 h ARG 5 Cb 0.76 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 29.25 1ss6 h ARG 5 CO 0.75 0.27 0.00 0.94 2.80 0.00 0.00 179.97 184.73 1ss6 n GLN 6 N -5.02 0.00 0.00 0.20 -0.06 -1.26 -4.90 117.38 106.34 1ss6 n GLN 6 Ca 0.13 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.13 1ss6 n GLN 6 Cb 0.40 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.58 1ss6 n GLN 6 CO 0.00 0.00 0.00 1.58 -0.20 0.00 0.00 177.06 178.44 1ss6 n HIS 7 N -1.19 0.00 -2.89 3.69 -0.00 -1.26 -5.06 115.22 108.51 1ss6 n HIS 7 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.69 1ss6 n HIS 7 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1ss6 n HIS 7 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1ss6 n SER 8 N 0.00 -7.51 0.00 0.26 7.64 -1.26 -4.96 113.62 107.79 1ss6 n SER 8 Ca 0.00 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1ss6 n SER 8 Cb 0.00 -5.08 0.00 0.00 -1.01 0.00 0.00 64.21 58.12 1ss6 n SER 8 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1ss6 n SER 9 N -1.17 0.22 -0.96 6.43 3.41 -1.26 -3.78 113.62 116.51 1ss6 n SER 9 Ca 0.04 -0.79 0.12 0.00 -0.26 0.00 0.00 58.87 57.98 1ss6 n SER 9 Cb 0.47 0.07 0.25 0.00 -0.26 0.00 0.00 64.21 64.75 1ss6 n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ss6 n GLN 10 N -0.07 2.26 0.00 4.33 6.02 -1.26 -4.76 117.38 123.89 1ss6 n GLN 10 Ca 0.00 -1.89 0.00 0.00 -0.01 0.00 0.00 57.00 55.10 1ss6 n GLN 10 Cb 0.13 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.92 1ss6 n GLN 10 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1ss6 n ASP 11 N 1.13 -1.11 -3.63 1.08 8.00 -1.26 -4.75 116.55 116.01 1ss6 n ASP 11 Ca 0.18 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.56 1ss6 n ASP 11 Cb 0.53 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.56 1ss6 n ASP 11 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ss6 s VAL 12 N 0.00 0.00 -0.37 2.53 0.11 -0.54 -3.33 120.40 118.80 1ss6 s VAL 12 Ca 0.00 0.00 -0.04 0.00 -2.93 0.00 0.00 61.98 59.01 1ss6 s VAL 12 Cb 0.00 -1.00 0.08 0.00 -1.53 0.00 0.00 36.38 33.93 1ss6 s VAL 12 CO 0.00 0.00 0.14 -1.00 -3.33 0.00 0.00 175.10 170.91 1ss6 s HIS 13 N 0.43 3.41 -0.13 1.54 3.76 -1.26 -1.84 115.29 121.19 1ss6 s HIS 13 Ca 0.00 -1.96 -0.05 0.00 -0.15 0.00 0.00 55.06 52.90 1ss6 s HIS 13 Cb -0.05 -2.73 -0.04 0.00 1.11 0.00 0.00 32.58 30.87 1ss6 s HIS 13 CO -0.03 -0.87 0.06 0.14 -0.85 0.00 0.00 174.74 173.19 1ss6 s VAL 14 N 1.26 4.80 -0.17 -0.90 -7.23 0.10 -4.95 120.40 113.31 1ss6 s VAL 14 Ca 0.02 -0.05 -0.05 0.00 -1.81 0.00 0.00 61.98 60.10 1ss6 s VAL 14 Cb -0.22 -3.09 -0.03 0.00 0.56 0.00 0.00 36.38 33.61 1ss6 s VAL 14 CO -0.01 0.56 -0.01 0.54 -0.31 0.00 0.00 175.10 175.86 1ss6 s VAL 15 N -0.47 4.00 -0.19 1.32 0.11 -1.26 -0.84 120.40 123.06 1ss6 s VAL 15 Ca 0.10 -0.31 -0.07 0.00 -2.93 0.00 0.00 61.98 58.77 1ss6 s VAL 15 Cb -0.12 -2.78 -0.04 0.00 -1.53 0.00 0.00 36.38 31.92 1ss6 s VAL 15 CO 0.02 0.47 0.06 -0.22 -3.33 0.00 0.00 175.10 172.09 1ss6 s LEU 16 N 0.60 3.69 -0.08 2.54 0.20 0.19 -1.71 118.68 124.11 1ss6 s LEU 16 Ca -0.01 0.00 0.00 0.00 0.69 0.00 0.00 54.13 54.81 1ss6 s LEU 16 Cb -0.14 -1.94 -0.03 0.00 -0.43 0.00 0.00 46.19 43.65 1ss6 s LEU 16 CO 0.02 0.13 -0.06 -0.54 -0.29 0.00 0.00 176.35 175.61 1ss6 s LYS 17 N 0.63 2.92 -0.26 1.98 1.02 0.13 -0.55 119.74 125.61 1ss6 s LYS 17 Ca 0.03 -0.54 -0.11 0.00 0.02 0.00 0.00 55.97 55.36 1ss6 s LYS 17 Cb -0.13 -2.65 -0.05 0.00 -0.52 0.00 0.00 37.83 34.48 1ss6 s LYS 17 CO 0.02 0.59 0.19 -1.17 -0.92 0.00 0.00 175.35 174.06 1ss6 s LEU 18 N -0.60 4.06 0.50 3.17 2.96 0.15 -1.81 118.68 127.10 1ss6 s LEU 18 Ca 0.09 0.06 0.05 0.00 -0.22 0.00 0.00 54.13 54.11 1ss6 s LEU 18 Cb -0.12 -2.14 0.00 0.00 0.50 0.00 0.00 46.19 44.44 1ss6 s LEU 18 CO 0.02 -0.02 0.26 0.26 -1.32 0.00 0.00 176.35 175.55 1ss6 s TRP 19 N 1.52 1.98 -0.58 5.38 0.52 0.36 0.65 118.94 128.77 1ss6 s TRP 19 Ca 0.08 -0.78 0.25 0.00 0.02 0.00 0.00 56.10 55.67 1ss6 s TRP 19 Cb -0.15 -1.88 0.86 0.00 -1.15 0.00 0.00 33.47 31.16 1ss6 s TRP 19 CO 0.09 -0.14 1.75 1.57 0.02 0.00 0.00 176.95 180.24 1ss6 h LYS 20 N 1.07 0.00 -1.23 4.98 5.09 -1.39 -3.33 116.57 121.75 1ss6 h LYS 20 Ca -0.40 0.00 -0.39 0.00 0.09 0.00 0.00 60.65 59.95 1ss6 h LYS 20 Cb 1.29 0.00 -0.30 0.00 0.10 0.00 0.00 32.23 33.32 1ss6 h LYS 20 CO 0.64 0.00 -0.91 0.45 -2.09 0.00 0.00 179.45 177.54 1ss6 n SER 21 N -2.36 -0.37 0.00 7.07 2.88 -1.26 -5.02 113.62 114.56 1ss6 n SER 21 Ca 0.04 -3.26 0.00 0.00 -1.33 0.00 0.00 58.87 54.32 1ss6 n SER 21 Cb 0.37 0.35 0.00 0.00 -0.75 0.00 0.00 64.21 64.17 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 0.30 0.82 3.06 0.46 0.00 -1.25 -3.57 105.19 105.02 1ss6 n GLY 22 Ca 0.18 -2.08 -0.08 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.14 0.39 0.12 1.61 -0.71 -0.38 -0.49 117.98 117.39 1ss6 s PHE 23 Ca 0.00 -0.82 0.03 0.00 -1.04 0.00 0.00 56.93 55.10 1ss6 s PHE 23 Cb 0.00 -0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 41.48 1ss6 s PHE 23 CO 0.00 -0.33 -0.08 -1.54 -1.34 0.00 0.00 175.22 171.93 1ss6 s SER 24 N -2.38 1.45 0.40 1.98 1.04 -0.75 -0.74 113.70 114.70 1ss6 s SER 24 Ca -0.02 -1.02 0.04 0.00 0.48 0.00 0.00 55.95 55.44 1ss6 s SER 24 Cb 0.01 0.05 -0.02 0.00 0.10 0.00 0.00 66.02 66.16 1ss6 s SER 24 CO -0.07 -0.41 0.16 0.18 0.98 0.00 0.00 173.24 174.08 1ss6 n LEU 25 N -0.12 0.00 0.08 2.42 4.32 0.23 0.19 117.00 124.11 1ss6 n LEU 25 Ca -0.11 -3.09 0.04 0.00 -0.02 0.00 0.00 56.01 52.82 1ss6 n LEU 25 Cb 0.61 1.07 0.43 0.00 -1.62 0.00 0.00 43.42 43.91 1ss6 n LEU 25 CO 0.31 -0.48 1.03 -0.78 -1.22 0.00 0.00 177.39 176.26 1ss6 h ASP 26 N 1.64 0.32 0.43 -1.43 3.58 -1.65 -3.07 116.42 116.25 1ss6 h ASP 26 Ca -0.31 -0.03 -0.31 0.00 0.42 0.00 0.00 57.03 56.80 1ss6 h ASP 26 Cb 1.20 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 42.14 1ss6 h ASP 26 CO 0.48 0.33 -1.69 -0.55 -2.88 0.00 0.00 179.24 174.93 1ss6 h ASN 27 N 0.36 0.18 -4.20 2.28 -1.07 -1.93 -3.49 115.58 107.71 1ss6 h ASN 27 Ca 0.09 -0.34 -0.30 0.00 0.07 0.00 0.00 56.30 55.82 1ss6 h ASN 27 Cb 0.13 -0.06 -0.15 0.00 -2.07 0.00 0.00 38.32 36.18 1ss6 h ASN 27 CO -0.00 1.30 -0.70 -0.83 0.07 0.00 0.00 177.43 177.27 1ss6 s GLY 28 N -5.16 1.03 0.46 9.14 0.00 -1.16 -5.13 107.32 106.50 1ss6 s GLY 28 Ca -0.09 -1.48 -0.06 0.00 0.00 0.00 0.00 44.72 43.09 1ss6 s GLY 28 CO 0.82 -1.55 0.63 1.18 0.00 0.00 0.00 173.10 174.17 1ss6 n GLU 29 N -0.17 -0.39 -2.15 2.90 1.02 -1.26 -0.60 120.64 119.98 1ss6 n GLU 29 Ca -0.10 -1.15 -0.43 0.00 -0.02 0.00 0.00 57.16 55.46 1ss6 n GLU 29 Cb 0.61 -0.59 -0.03 0.00 -0.02 0.00 0.00 31.44 31.41 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 4.15 -0.12 -4.62 0.20 -1.25 -4.19 118.68 112.84 1ss6 s LEU 30 Ca 0.37 1.89 0.03 0.00 0.69 0.00 0.00 54.13 57.11 1ss6 s LEU 30 Cb -0.01 -3.53 0.01 0.00 -0.43 0.00 0.00 46.19 42.22 1ss6 s LEU 30 CO 0.26 -0.99 -0.21 -0.13 -0.29 0.00 0.00 176.35 174.98 1ss6 s ARG 31 N 4.10 2.87 0.39 1.98 0.52 0.08 -4.86 118.95 124.03 1ss6 s ARG 31 Ca 0.68 -0.81 -0.26 0.00 -0.52 0.00 0.00 55.73 54.83 1ss6 s ARG 31 Cb -0.28 -2.30 -0.09 0.00 0.52 0.00 0.00 34.95 32.81 1ss6 s ARG 31 CO 0.26 0.02 1.16 0.45 0.02 0.00 0.00 175.30 177.21 1ss6 s SER 32 N 0.74 6.60 0.00 0.23 0.15 -1.23 -1.25 113.70 118.93 1ss6 s SER 32 Ca -0.10 2.33 0.02 0.00 0.70 0.00 0.00 55.95 58.90 1ss6 s SER 32 Cb -0.16 -2.61 0.07 0.00 -1.71 0.00 0.00 66.02 61.61 1ss6 s SER 32 CO 0.01 -0.62 1.05 -1.22 1.20 0.00 0.00 173.24 173.66 1ss6 n TYR 33 N 0.17 0.00 0.02 3.44 4.01 -1.26 -0.65 117.16 122.89 1ss6 n TYR 33 Ca 0.04 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.77 1ss6 n TYR 33 Cb 0.46 -0.50 -0.10 0.00 -0.31 0.00 0.00 39.34 38.90 1ss6 n TYR 33 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1ss6 n GLN 34 N -1.50 0.63 -1.96 -0.72 6.02 -1.26 -4.89 117.38 113.70 1ss6 n GLN 34 Ca 0.00 0.19 -0.42 0.00 -0.01 0.00 0.00 57.00 56.77 1ss6 n GLN 34 Cb 0.02 -1.77 -0.03 0.00 1.02 0.00 0.00 30.24 29.48 1ss6 n GLN 34 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1ss6 s ASP 35 N -5.72 6.62 0.00 1.08 2.15 0.18 -4.90 116.67 116.07 1ss6 s ASP 35 Ca -0.04 2.54 0.04 0.00 0.43 0.00 0.00 52.55 55.52 1ss6 s ASP 35 Cb 0.09 -2.58 0.24 0.00 -0.30 0.00 0.00 42.92 40.37 1ss6 s ASP 35 CO 0.82 -0.83 1.12 -2.65 -0.17 0.00 0.00 175.17 173.46 1ss6 n PRO 36 N 4.51 0.96 -0.07 4.34 -0.02 -1.26 -2.76 135.00 140.70 1ss6 n PRO 36 Ca 0.14 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.49 1ss6 n PRO 36 Cb 0.40 -1.07 -0.14 0.00 -0.02 0.00 0.00 33.50 32.67 1ss6 n PRO 36 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1ss6 n SER 37 N -0.57 0.93 0.05 2.55 7.64 -1.26 -4.02 113.62 118.94 1ss6 n SER 37 Ca 0.03 0.12 0.12 0.00 1.01 0.00 0.00 58.87 60.15 1ss6 n SER 37 Cb 0.01 0.17 0.14 0.00 -1.01 0.00 0.00 64.21 63.52 1ss6 n SER 37 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1ss6 n ASN 38 N -3.03 0.68 -0.36 6.43 0.23 -1.21 -4.06 115.26 113.93 1ss6 n ASN 38 Ca -0.31 0.05 0.27 0.00 -0.53 0.00 0.00 54.58 54.06 1ss6 n ASN 38 Cb 1.08 0.30 0.54 0.00 -2.08 0.00 0.00 39.78 39.63 1ss6 n ASN 38 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ss6 h ALA 39 N 2.51 2.33 0.32 -2.53 0.00 -1.65 -0.69 119.26 119.55 1ss6 h ALA 39 Ca 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ss6 h ALA 39 Cb 0.74 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1ss6 h ALA 39 CO 0.00 -0.84 -0.52 -0.56 0.00 0.00 0.00 179.25 177.33 1ss6 h GLN 40 N 0.30 -0.85 -0.49 0.00 3.07 -1.78 0.63 115.11 115.98 1ss6 h GLN 40 Ca 0.69 0.06 0.05 0.00 0.09 0.00 0.00 58.65 59.53 1ss6 h GLN 40 Cb 1.85 0.19 -0.07 0.00 0.08 0.00 0.00 27.48 29.53 1ss6 h GLN 40 CO -0.38 -0.57 -0.44 0.74 0.09 0.00 0.00 178.83 178.27 1ss6 h PHE 41 N -0.89 -1.37 -0.66 0.06 0.04 -1.43 0.13 116.94 112.82 1ss6 h PHE 41 Ca -0.04 0.08 0.14 0.00 2.80 0.00 0.00 57.97 60.95 1ss6 h PHE 41 Cb 0.82 0.66 -0.12 0.00 2.20 0.00 0.00 35.95 39.51 1ss6 h PHE 41 CO -0.36 -0.34 -0.11 -0.07 -0.60 0.00 0.00 178.31 176.84 1ss6 h LEU 42 N -0.18 -0.51 0.16 1.54 3.38 -1.04 0.51 115.31 119.17 1ss6 h LEU 42 Ca 0.08 0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.23 1ss6 h LEU 42 Cb 0.40 0.37 0.00 0.00 0.09 0.00 0.00 40.66 41.52 1ss6 h LEU 42 CO -0.56 -0.19 -0.08 -0.08 0.09 0.00 0.00 178.44 177.61 1ss6 h GLU 43 N 0.03 -0.21 -0.70 1.13 4.81 -0.42 0.18 114.58 119.40 1ss6 h GLU 43 Ca 0.33 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.58 1ss6 h GLU 43 Cb 0.52 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.92 1ss6 h GLU 43 CO -0.64 0.07 0.46 1.03 -0.73 0.00 0.00 179.01 179.20 1ss6 h SER 44 N -0.50 0.81 0.81 1.04 0.87 0.13 0.15 113.55 116.85 1ss6 h SER 44 Ca -0.02 -0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.40 1ss6 h SER 44 Cb 0.39 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 1ss6 h SER 44 CO 0.04 0.59 -0.52 0.40 -0.53 0.00 0.00 176.83 176.80 1ss6 h ILE 45 N 0.95 1.16 -0.22 2.23 2.04 0.01 0.43 117.51 124.11 1ss6 h ILE 45 Ca 0.26 -1.93 -0.07 0.00 1.00 0.00 0.00 64.86 64.11 1ss6 h ILE 45 Cb -0.10 2.11 -0.00 0.00 -0.74 0.00 0.00 36.82 38.08 1ss6 h ILE 45 CO -0.05 0.51 -0.14 -0.09 0.00 0.00 0.00 178.15 178.38 1ss6 h ARG 46 N 0.00 0.47 -0.42 2.37 2.43 -0.23 -3.11 114.38 115.89 1ss6 h ARG 46 Ca -0.01 -0.22 -0.05 0.00 -0.81 0.00 0.00 59.98 58.89 1ss6 h ARG 46 Cb 1.07 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.59 1ss6 h ARG 46 CO 0.07 0.78 0.03 0.00 -1.51 0.00 0.00 179.97 179.34 1ss6 h ARG 47 N 0.17 0.66 0.00 0.20 2.47 -0.39 -3.47 114.38 114.03 1ss6 h ARG 47 Ca 0.04 -0.15 0.00 0.00 -1.26 0.00 0.00 59.98 58.62 1ss6 h ARG 47 Cb 0.65 -0.09 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 1ss6 h ARG 47 CO 0.04 0.65 0.00 0.41 0.56 0.00 0.00 179.97 181.63 1ss6 n GLY 48 N -0.83 1.24 3.98 0.04 0.00 0.13 -5.09 105.19 104.65 1ss6 n GLY 48 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.43 2.97 -0.25 1.61 2.02 0.13 -4.97 118.70 119.77 1ss6 s GLU 49 Ca 0.00 -0.81 -0.10 0.00 0.02 0.00 0.00 54.97 54.08 1ss6 s GLU 49 Cb 0.00 -2.66 -0.05 0.00 0.10 0.00 0.00 34.13 31.52 1ss6 s GLU 49 CO 0.00 -0.23 0.14 0.54 0.02 0.00 0.00 175.26 175.73 1ss6 s VAL 50 N -2.43 5.12 0.31 2.63 0.11 -1.26 -3.66 120.40 121.21 1ss6 s VAL 50 Ca 0.49 0.10 -0.30 0.00 -2.93 0.00 0.00 61.98 59.35 1ss6 s VAL 50 Cb -0.10 -3.40 -0.12 0.00 -1.53 0.00 0.00 36.38 31.24 1ss6 s VAL 50 CO 0.35 0.33 1.52 -2.65 -3.33 0.00 0.00 175.10 171.32 1ss6 n PRO 51 N 4.56 2.56 0.29 1.54 -0.02 -1.26 -4.89 135.00 137.78 1ss6 n PRO 51 Ca -0.15 0.91 0.16 0.00 -2.02 0.00 0.00 63.50 62.40 1ss6 n PRO 51 Cb 0.52 -2.65 0.90 0.00 -0.02 0.00 0.00 33.50 32.25 1ss6 n PRO 51 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ss6 h ALA 52 N 4.11 1.31 -0.58 3.55 0.00 -1.98 -1.96 119.26 123.71 1ss6 h ALA 52 Ca -0.47 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.44 1ss6 h ALA 52 Cb 1.24 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 1ss6 h ALA 52 CO 0.74 0.05 0.32 0.93 0.00 0.00 0.00 179.25 181.29 1ss6 h GLU 53 N 0.00 0.59 0.00 0.00 3.07 -1.98 0.34 114.58 116.60 1ss6 h GLU 53 Ca -0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1ss6 h GLU 53 Cb 0.14 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1ss6 h GLU 53 CO 0.01 0.39 -0.44 1.37 -1.40 0.00 0.00 179.01 178.93 1ss6 h LEU 54 N 0.61 0.00 -0.09 1.33 -0.00 -1.75 -3.01 115.31 112.40 1ss6 h LEU 54 Ca 0.25 -0.11 -0.22 0.00 -0.00 0.00 0.00 57.88 57.80 1ss6 h LEU 54 Cb 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.78 1ss6 h LEU 54 CO -0.16 0.06 -1.02 -0.09 -0.00 0.00 0.00 178.44 177.23 1ss6 h ARG 55 N 0.00 0.18 0.00 0.17 9.65 -1.00 0.40 114.38 123.78 1ss6 h ARG 55 Ca 0.00 -0.25 0.00 0.00 -1.10 0.00 0.00 59.98 58.63 1ss6 h ARG 55 Cb 0.80 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.46 1ss6 h ARG 55 CO 0.00 1.05 0.00 0.54 2.80 0.00 0.00 179.97 184.36 1ss6 n ARG 56 N -3.55 0.61 -0.09 0.20 5.12 0.11 -2.56 116.66 116.50 1ss6 n ARG 56 Ca -0.04 0.02 -0.11 0.00 -1.93 0.00 0.00 57.85 55.79 1ss6 n ARG 56 Cb 0.91 -1.50 -0.11 0.00 -1.16 0.00 0.00 32.46 30.59 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 -1.16 1.38 -4.67 0.55 0.00 -1.07 -4.94 117.00 107.09 1ss6 n LEU 57 Ca 0.17 -0.05 -0.45 0.00 0.00 0.00 0.00 56.01 55.68 1ss6 n LEU 57 Cb 0.16 -0.12 -0.04 0.00 0.00 0.00 0.00 43.42 43.43 1ss6 n LEU 57 CO 0.19 0.60 1.54 0.00 0.00 0.00 0.00 177.39 179.72 1ss6 n ALA 58 N -2.82 1.35 -0.03 1.96 0.00 0.14 -4.83 120.51 116.28 1ss6 n ALA 58 Ca -0.31 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1ss6 n ALA 58 Cb 0.96 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1ss6 n ALA 58 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ss6 n HIS 59 N 6.89 0.00 0.08 0.00 8.25 -1.21 -4.51 115.22 124.72 1ss6 n HIS 59 Ca 0.21 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.65 1ss6 n HIS 59 Cb 0.36 -0.28 0.23 0.00 1.12 0.00 0.00 29.99 31.41 1ss6 n HIS 59 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1ss6 h GLY 60 N 0.00 0.31 0.00 -1.41 0.00 -1.73 -3.42 103.07 96.81 1ss6 h GLY 60 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1ss6 h GLY 60 CO 0.00 0.25 0.00 0.61 0.00 0.00 0.00 176.54 177.40 1ss6 n GLY 61 N -0.25 1.61 3.56 4.60 0.00 -1.26 -4.82 105.19 108.63 1ss6 n GLY 61 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1ss6 n GLY 61 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ss6 s GLN 62 N 0.00 2.83 -0.55 1.61 0.74 -1.26 -4.92 119.66 118.10 1ss6 s GLN 62 Ca 0.00 -0.43 -0.19 0.00 0.05 0.00 0.00 55.36 54.79 1ss6 s GLN 62 Cb 0.00 -5.07 0.08 0.00 1.10 0.00 0.00 33.01 29.12 1ss6 s GLN 62 CO 0.00 -3.02 0.65 0.54 -0.55 0.00 0.00 175.29 172.91 1ss6 s VAL 63 N 8.66 4.87 -0.34 1.34 0.11 -1.26 -1.47 120.40 132.31 1ss6 s VAL 63 Ca 0.63 -0.78 -0.08 0.00 -2.93 0.00 0.00 61.98 58.81 1ss6 s VAL 63 Cb -0.05 -4.39 0.02 0.00 -1.53 0.00 0.00 36.38 30.43 1ss6 s VAL 63 CO -0.01 -0.96 0.14 0.21 -3.33 0.00 0.00 175.10 171.15 1ss6 s ASN 64 N 3.17 5.45 -0.10 3.54 3.04 -0.77 -5.00 114.94 124.27 1ss6 s ASN 64 Ca 0.13 -0.93 -0.04 0.00 0.04 0.00 0.00 52.86 52.06 1ss6 s ASN 64 Cb -0.22 -1.94 -0.04 0.00 -1.54 0.00 0.00 41.25 37.51 1ss6 s ASN 64 CO 0.09 -0.30 0.05 -1.48 -3.04 0.00 0.00 177.10 172.41 1ss6 s LEU 65 N 1.50 3.86 0.37 3.21 2.34 -1.25 0.01 118.68 128.73 1ss6 s LEU 65 Ca 0.01 0.25 0.09 0.00 0.06 0.00 0.00 54.13 54.54 1ss6 s LEU 65 Cb -0.19 -1.91 -0.07 0.00 -0.56 0.00 0.00 46.19 43.47 1ss6 s LEU 65 CO 0.04 0.38 -0.03 -0.62 -1.06 0.00 0.00 176.35 175.07 1ss6 s ASP 66 N -0.90 3.90 -0.03 1.48 -1.08 -0.02 -4.95 116.67 115.07 1ss6 s ASP 66 Ca 0.14 -1.20 0.03 0.00 -0.52 0.00 0.00 52.55 51.00 1ss6 s ASP 66 Cb -0.12 -0.41 -0.00 0.00 -1.46 0.00 0.00 42.92 40.94 1ss6 s ASP 66 CO 0.03 -0.30 -0.12 -0.04 0.52 0.00 0.00 175.17 175.26 1ss6 s MET 67 N -3.67 1.25 -0.01 4.34 -1.94 -1.25 0.56 119.30 118.59 1ss6 s MET 67 Ca 0.34 -0.43 0.06 0.00 -1.71 0.00 0.00 55.69 53.96 1ss6 s MET 67 Cb 0.04 -1.14 -0.02 0.00 2.01 0.00 0.00 34.83 35.73 1ss6 s MET 67 CO 0.18 0.18 -0.21 -1.21 -0.01 0.00 0.00 175.02 173.95 1ss6 s GLU 68 N 0.08 1.64 -0.60 2.03 2.02 0.29 -4.96 118.70 119.20 1ss6 s GLU 68 Ca -0.02 -0.76 -0.11 0.00 0.02 0.00 0.00 54.97 54.09 1ss6 s GLU 68 Cb -0.09 -1.60 0.15 0.00 0.10 0.00 0.00 34.13 32.69 1ss6 s GLU 68 CO 0.01 0.44 0.50 -0.51 0.02 0.00 0.00 175.26 175.72 1ss6 s ASP 69 N -0.56 6.03 -0.15 -0.19 1.11 -1.26 0.30 116.67 121.94 1ss6 s ASP 69 Ca 0.08 -2.21 -0.11 0.00 0.18 0.00 0.00 52.55 50.49 1ss6 s ASP 69 Cb -0.08 -2.09 -0.07 0.00 1.07 0.00 0.00 42.92 41.76 1ss6 s ASP 69 CO -0.00 -0.66 -0.25 1.41 1.18 0.00 0.00 175.17 176.85 1ss6 n HIS 70 N 4.56 0.00 0.00 4.23 8.25 -0.44 -4.97 115.22 126.84 1ss6 n HIS 70 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1ss6 n HIS 70 Cb 0.42 -0.55 0.00 0.00 1.12 0.00 0.00 29.99 30.98 1ss6 n HIS 70 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ss6 n ARG 71 N -4.00 0.00 0.00 -0.41 1.74 0.21 -2.46 116.66 111.74 1ss6 n ARG 71 Ca -0.26 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 56.92 1ss6 n ARG 71 Cb 0.60 0.00 0.60 0.00 -1.02 0.00 0.00 32.46 32.64 1ss6 n ARG 71 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1ss6 n ASP 72 N 6.73 0.00 0.27 0.55 5.75 -1.26 -0.97 116.55 127.62 1ss6 n ASP 72 Ca 0.00 -0.40 0.16 0.00 -0.01 0.00 0.00 54.79 54.54 1ss6 n ASP 72 Cb 0.00 -0.12 0.66 0.00 -1.03 0.00 0.00 41.12 40.63 1ss6 n ASP 72 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1ss6 h GLU 73 N 0.00 0.00 -2.91 0.11 4.39 -1.86 -3.49 114.58 110.82 1ss6 h GLU 73 Ca 0.00 0.00 0.34 0.00 0.34 0.00 0.00 59.36 60.04 1ss6 h GLU 73 Cb 0.08 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.63 1ss6 h GLU 73 CO 0.00 0.04 -0.60 -3.47 -1.16 0.00 0.00 179.01 173.82 1ss6 n ASP 74 N -3.15 -7.66 -4.71 1.42 -0.08 -0.45 -4.85 116.55 97.07 1ss6 n ASP 74 Ca 0.00 0.67 -0.42 0.00 -1.51 0.00 0.00 54.79 53.53 1ss6 n ASP 74 Cb 0.32 -3.99 -0.03 0.00 2.34 0.00 0.00 41.12 39.77 1ss6 n ASP 74 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 1ss6 s PHE 75 N -2.49 2.98 -0.29 -0.67 5.36 -1.26 -4.92 117.98 116.69 1ss6 s PHE 75 Ca 0.00 0.71 0.06 0.00 -0.96 0.00 0.00 56.93 56.74 1ss6 s PHE 75 Cb 0.00 -3.81 0.20 0.00 -0.34 0.00 0.00 43.02 39.07 1ss6 s PHE 75 CO 0.00 -3.01 0.59 0.14 -1.46 0.00 0.00 175.22 171.48 1ss6 s VAL 76 N 1.56 -0.99 0.01 3.12 -7.23 -1.26 -5.06 120.40 110.54 1ss6 s VAL 76 Ca 0.68 -0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.84 1ss6 s VAL 76 Cb -0.39 -0.98 0.00 0.00 0.56 0.00 0.00 36.38 35.57 1ss6 s VAL 76 CO 0.30 -0.01 0.00 1.17 -0.31 0.00 0.00 175.10 176.26 1ss6 n LYS 77 N 5.40 0.00 -0.11 4.82 4.81 -1.25 -3.84 118.16 127.99 1ss6 n LYS 77 Ca 0.05 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.38 1ss6 n LYS 77 Cb 0.54 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.61 1ss6 n LYS 77 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1ss6 h PRO 78 N 0.00 0.88 -0.80 1.64 0.11 -1.91 0.18 132.00 132.09 1ss6 h PRO 78 Ca 0.00 -0.41 0.17 0.00 0.11 0.00 0.00 66.00 65.87 1ss6 h PRO 78 Cb 0.00 -0.01 -0.11 0.00 0.11 0.00 0.00 31.00 30.99 1ss6 h PRO 78 CO 0.00 1.06 0.29 0.87 -0.21 0.00 0.00 178.00 180.00 1ss6 h LYS 79 N 0.74 0.36 0.00 1.05 1.79 -1.97 -3.38 116.57 115.16 1ss6 h LYS 79 Ca 0.08 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.52 1ss6 h LYS 79 Cb 0.87 -0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.43 1ss6 h LYS 79 CO 0.08 0.24 -0.02 0.41 -1.08 0.00 0.00 179.45 179.08 1ss6 n GLY 80 N -1.34 -0.57 5.07 3.86 0.00 -1.23 -5.04 105.19 105.93 1ss6 n GLY 80 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1ss6 n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ss6 n ALA 81 N -0.03 0.00 -0.04 4.61 0.00 0.62 -4.83 120.51 120.85 1ss6 n ALA 81 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1ss6 n ALA 81 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 1ss6 n ALA 81 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ss6 n PHE 82 N 0.00 0.00 -2.76 0.00 7.35 -1.26 -2.93 117.46 117.85 1ss6 n PHE 82 Ca 0.00 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.60 1ss6 n PHE 82 Cb 0.00 0.00 0.06 0.00 0.35 0.00 0.00 39.48 39.89 1ss6 n PHE 82 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 1ss6 n LYS 83 N 0.00 0.89 -0.20 -4.13 2.85 -1.26 -4.99 118.16 111.32 1ss6 n LYS 83 Ca 0.00 -1.89 0.10 0.00 -1.05 0.00 0.00 58.31 55.47 1ss6 n LYS 83 Cb 0.00 -1.28 0.39 0.00 -0.65 0.00 0.00 35.03 33.50 1ss6 n LYS 83 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ss6 h ALA 84 N 3.54 1.83 -3.04 0.58 0.00 -1.63 -3.39 119.26 117.15 1ss6 h ALA 84 Ca -0.12 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.59 1ss6 h ALA 84 Cb 1.06 -0.14 -0.30 0.00 0.00 0.00 0.00 17.79 18.40 1ss6 h ALA 84 CO 0.25 -0.00 -0.49 -0.59 0.00 0.00 0.00 179.25 178.42 1ss6 s PHE 85 N -5.62 -0.32 0.00 0.00 -0.71 -1.26 -4.93 117.98 105.15 1ss6 s PHE 85 Ca -0.09 0.76 0.00 0.00 -1.04 0.00 0.00 56.93 56.56 1ss6 s PHE 85 Cb 0.20 0.04 0.00 0.00 -1.21 0.00 0.00 43.02 42.05 1ss6 s PHE 85 CO 0.78 -0.23 0.00 -2.37 -1.34 0.00 0.00 175.22 172.06 1ss6 n THR 86 N 4.23 0.00 0.00 -4.49 5.66 -1.26 -5.02 114.28 113.40 1ss6 n THR 86 Ca -0.25 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.75 1ss6 n THR 86 Cb 0.53 -0.94 0.00 0.00 -1.55 0.00 0.00 70.33 68.37 1ss6 n THR 86 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ss6 n GLY 87 N 2.26 1.15 0.18 1.09 0.00 -1.26 -4.64 105.19 103.97 1ss6 n GLY 87 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1ss6 n GLY 87 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ss6 h GLU 88 N 0.00 -0.11 -0.81 1.61 4.39 -1.95 0.51 114.58 118.22 1ss6 h GLU 88 Ca 0.00 0.01 -0.38 0.00 0.34 0.00 0.00 59.36 59.32 1ss6 h GLU 88 Cb 0.00 0.02 -0.23 0.00 -0.10 0.00 0.00 28.75 28.45 1ss6 h GLU 88 CO 0.00 -0.07 0.43 0.41 -1.16 0.00 0.00 179.01 178.61 1ss6 n GLY 89 N -1.29 4.41 1.32 -3.84 0.00 -1.26 -4.49 105.19 100.04 1ss6 n GLY 89 Ca -0.01 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.95 0.00 -3.17 1.61 7.27 -0.59 -4.98 117.38 116.57 1ss6 n GLN 90 Ca 0.50 0.00 0.01 0.00 0.07 0.00 0.00 57.00 57.58 1ss6 n GLN 90 Cb 1.48 -0.12 -0.01 0.00 2.41 0.00 0.00 30.24 34.00 1ss6 n GLN 90 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1ss6 s LYS 91 N -1.36 0.75 0.18 3.69 2.20 0.07 -5.01 119.74 120.26 1ss6 s LYS 91 Ca 0.00 -0.21 -0.09 0.00 -0.36 0.00 0.00 55.97 55.31 1ss6 s LYS 91 Cb 0.00 0.10 0.08 0.00 -1.51 0.00 0.00 37.83 36.50 1ss6 s LYS 91 CO 0.00 -1.10 1.63 1.25 -0.36 0.00 0.00 175.35 176.77 1ss6 h LEU 92 N 6.89 1.02 0.00 5.43 7.12 -1.73 -3.45 115.31 130.59 1ss6 h LEU 92 Ca 0.04 -0.31 0.00 0.00 0.13 0.00 0.00 57.88 57.74 1ss6 h LEU 92 Cb 1.19 -0.28 0.00 0.00 -0.53 0.00 0.00 40.66 41.04 1ss6 h LEU 92 CO 0.08 1.10 0.00 0.61 -0.13 0.00 0.00 178.44 180.11 1ss6 n GLY 93 N -0.36 0.07 2.11 3.75 0.00 -1.26 -5.04 105.19 104.46 1ss6 n GLY 93 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1ss6 n GLY 93 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ss6 n SER 94 N -0.68 -2.04 -3.31 1.61 3.41 -1.26 -5.06 113.62 106.30 1ss6 n SER 94 Ca 0.00 0.60 -0.16 0.00 -0.26 0.00 0.00 58.87 59.05 1ss6 n SER 94 Cb 0.00 2.03 0.08 0.00 -0.26 0.00 0.00 64.21 66.06 1ss6 n SER 94 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1ss6 n THR 95 N -3.28 -7.76 -3.20 6.66 -1.04 -1.26 -4.87 114.28 99.53 1ss6 n THR 95 Ca 0.00 -0.98 -0.24 0.00 -2.04 0.00 0.00 64.05 60.80 1ss6 n THR 95 Cb 0.00 -5.85 -0.07 0.00 -1.82 0.00 0.00 70.33 62.59 1ss6 n THR 95 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ss6 n ALA 96 N -3.60 2.29 0.11 2.41 0.00 -1.26 -4.88 120.51 115.59 1ss6 n ALA 96 Ca -0.16 -3.24 -0.05 0.00 0.00 0.00 0.00 53.44 49.99 1ss6 n ALA 96 Cb 0.64 -0.83 -0.02 0.00 0.00 0.00 0.00 19.45 19.24 1ss6 n ALA 96 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1ss6 h PRO 97 N 4.30 -0.29 -2.86 0.00 0.13 -1.95 -3.45 132.00 127.88 1ss6 h PRO 97 Ca 0.10 0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 65.14 1ss6 h PRO 97 Cb 0.89 0.07 -0.20 0.00 0.13 0.00 0.00 31.00 31.89 1ss6 h PRO 97 CO 0.43 -0.19 -0.20 1.14 -0.23 0.00 0.00 178.00 178.96 1ss6 s GLN 98 N -3.23 0.73 0.00 0.86 -2.07 -1.26 -4.93 119.66 109.76 1ss6 s GLN 98 Ca -0.04 -0.11 0.00 0.00 -1.82 0.00 0.00 55.36 53.38 1ss6 s GLN 98 Cb 0.00 0.33 0.00 0.00 -1.09 0.00 0.00 33.01 32.25 1ss6 s GLN 98 CO 0.13 -0.21 0.00 0.28 -1.32 0.00 0.00 175.29 174.17 1ss6 n VAL 99 N 1.22 0.00 -2.62 3.63 0.31 -1.26 -4.80 118.33 114.81 1ss6 n VAL 99 Ca -0.21 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.69 1ss6 n VAL 99 Cb 0.56 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.47 1ss6 n VAL 99 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1ss6 s LEU 100 N 0.00 3.95 -0.10 7.52 1.02 -1.26 -5.01 118.68 124.80 1ss6 s LEU 100 Ca 0.00 1.11 0.02 0.00 0.02 0.00 0.00 54.13 55.27 1ss6 s LEU 100 Cb 0.00 -3.54 0.01 0.00 0.02 0.00 0.00 46.19 42.68 1ss6 s LEU 100 CO 0.00 -0.87 -0.14 -0.55 0.02 0.00 0.00 176.35 174.80 1ss6 s SER 101 N 1.70 2.26 0.00 2.29 0.15 -1.26 -3.90 113.70 114.94 1ss6 s SER 101 Ca 0.46 -0.39 0.21 0.00 0.70 0.00 0.00 55.95 56.94 1ss6 s SER 101 Cb -0.13 -1.01 1.25 0.00 -1.71 0.00 0.00 66.02 64.42 1ss6 s SER 101 CO 0.15 0.02 1.63 0.41 1.20 0.00 0.00 173.24 176.65