#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 -5.65 -3.70 1.61 2.88 -1.26 -4.99 113.62 102.52 1ss6 n SER 2 Ca 0.00 -0.23 -0.15 0.00 -1.33 0.00 0.00 58.87 57.17 1ss6 n SER 2 Cb 0.00 -4.50 -0.15 0.00 -0.75 0.00 0.00 64.21 58.81 1ss6 n SER 2 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1ss6 s GLU 3 N -5.50 0.09 -0.99 -1.46 2.12 -1.26 -5.08 118.70 106.63 1ss6 s GLU 3 Ca 0.24 0.53 -0.23 0.00 0.36 0.00 0.00 54.97 55.86 1ss6 s GLU 3 Cb -0.10 -0.19 -0.01 0.00 0.26 0.00 0.00 34.13 34.09 1ss6 s GLU 3 CO 0.29 -0.24 1.75 0.15 -0.54 0.00 0.00 175.26 176.68 1ss6 s LYS 4 N 1.81 3.01 0.73 4.30 -0.14 -1.26 -4.95 119.74 123.24 1ss6 s LYS 4 Ca -0.03 -0.76 -0.11 0.00 -1.36 0.00 0.00 55.97 53.71 1ss6 s LYS 4 Cb -0.12 -5.21 0.03 0.00 -1.68 0.00 0.00 37.83 30.85 1ss6 s LYS 4 CO -0.07 -2.94 1.08 1.03 -0.76 0.00 0.00 175.35 173.69 1ss6 s ARG 5 N 6.06 2.64 0.00 1.68 0.52 -1.26 -5.07 118.95 123.53 1ss6 s ARG 5 Ca 0.60 0.77 0.00 0.00 -0.52 0.00 0.00 55.73 56.58 1ss6 s ARG 5 Cb -0.03 -1.97 0.00 0.00 0.52 0.00 0.00 34.95 33.47 1ss6 s ARG 5 CO -0.03 -1.26 0.00 0.00 0.02 0.00 0.00 175.30 174.03 1ss6 n GLN 6 N -3.21 0.00 -1.24 3.54 10.64 -1.26 -5.03 117.38 120.82 1ss6 n GLN 6 Ca 0.07 0.00 -0.21 0.00 -1.83 0.00 0.00 57.00 55.04 1ss6 n GLN 6 Cb 0.55 0.00 -0.07 0.00 -0.86 0.00 0.00 30.24 29.86 1ss6 n GLN 6 CO 0.00 0.00 0.00 1.58 -1.83 0.00 0.00 177.06 176.81 1ss6 n HIS 7 N 0.00 1.10 0.75 2.61 -0.00 -1.26 -4.11 115.22 114.32 1ss6 n HIS 7 Ca 0.00 -1.79 0.12 0.00 -0.00 0.00 0.00 57.72 56.05 1ss6 n HIS 7 Cb 0.00 -1.35 0.27 0.00 -0.00 0.00 0.00 29.99 28.91 1ss6 n HIS 7 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1ss6 n SER 8 N 1.26 2.74 -2.57 0.26 3.41 -1.26 -4.51 113.62 112.94 1ss6 n SER 8 Ca 0.43 -1.88 -0.24 0.00 -0.26 0.00 0.00 58.87 56.92 1ss6 n SER 8 Cb 0.65 -0.16 -0.10 0.00 -0.26 0.00 0.00 64.21 64.33 1ss6 n SER 8 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ss6 n SER 9 N 1.04 6.69 -1.58 4.04 7.64 -1.26 -2.99 113.62 127.20 1ss6 n SER 9 Ca 0.18 -2.63 0.00 0.00 1.01 0.00 0.00 58.87 57.44 1ss6 n SER 9 Cb 0.50 -1.44 0.26 0.00 -1.01 0.00 0.00 64.21 62.52 1ss6 n SER 9 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ss6 n GLN 10 N 2.63 3.42 -1.25 1.43 6.02 -1.26 -5.03 117.38 123.34 1ss6 n GLN 10 Ca 0.56 -2.24 0.17 0.00 -0.01 0.00 0.00 57.00 55.48 1ss6 n GLN 10 Cb 0.62 -2.01 -0.05 0.00 1.02 0.00 0.00 30.24 29.81 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 0.22 -7.50 -3.95 1.08 8.00 -1.26 -4.81 116.55 108.33 1ss6 n ASP 11 Ca 0.25 0.73 -0.31 0.00 0.71 0.00 0.00 54.79 56.16 1ss6 n ASP 11 Cb 1.02 -3.94 -0.15 0.00 -0.02 0.00 0.00 41.12 38.02 1ss6 n ASP 11 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ss6 s VAL 12 N -2.65 1.87 -0.39 2.53 1.01 0.12 -4.81 120.40 118.09 1ss6 s VAL 12 Ca 0.00 -1.93 -0.04 0.00 0.00 0.00 0.00 61.98 60.02 1ss6 s VAL 12 Cb 0.00 -2.31 0.09 0.00 0.00 0.00 0.00 36.38 34.16 1ss6 s VAL 12 CO 0.00 -0.49 0.17 -1.00 0.00 0.00 0.00 175.10 173.77 1ss6 s HIS 13 N 1.14 3.48 -0.26 5.22 3.76 -1.26 0.22 115.29 127.58 1ss6 s HIS 13 Ca 0.07 -2.15 -0.01 0.00 -0.15 0.00 0.00 55.06 52.81 1ss6 s HIS 13 Cb -0.19 -2.93 0.03 0.00 1.11 0.00 0.00 32.58 30.61 1ss6 s HIS 13 CO -0.11 -0.91 -0.05 0.14 -0.85 0.00 0.00 174.74 172.95 1ss6 s VAL 14 N 1.21 2.84 -0.03 -0.90 -7.23 -0.02 -4.91 120.40 111.36 1ss6 s VAL 14 Ca 0.04 -1.16 -0.29 0.00 -1.81 0.00 0.00 61.98 58.76 1ss6 s VAL 14 Cb -0.22 -2.51 -0.03 0.00 0.56 0.00 0.00 36.38 34.19 1ss6 s VAL 14 CO -0.02 0.11 0.96 0.54 -0.31 0.00 0.00 175.10 176.38 1ss6 s VAL 15 N 1.29 4.86 -0.22 1.32 0.11 -1.26 -1.85 120.40 124.65 1ss6 s VAL 15 Ca -0.02 2.00 0.02 0.00 -2.93 0.00 0.00 61.98 61.05 1ss6 s VAL 15 Cb -0.18 -4.29 0.04 0.00 -1.53 0.00 0.00 36.38 30.42 1ss6 s VAL 15 CO -0.04 0.13 -0.16 -0.22 -3.33 0.00 0.00 175.10 171.48 1ss6 s LEU 16 N 1.26 2.78 -0.08 2.54 0.20 0.11 -1.66 118.68 123.83 1ss6 s LEU 16 Ca 0.50 -1.02 -0.03 0.00 0.69 0.00 0.00 54.13 54.27 1ss6 s LEU 16 Cb -0.20 -1.51 -0.04 0.00 -0.43 0.00 0.00 46.19 44.01 1ss6 s LEU 16 CO 0.24 -0.09 0.06 -0.54 -0.29 0.00 0.00 176.35 175.73 1ss6 s LYS 17 N 1.20 3.14 -0.21 1.98 1.02 0.23 -0.28 119.74 126.81 1ss6 s LYS 17 Ca -0.02 -0.35 -0.11 0.00 0.02 0.00 0.00 55.97 55.52 1ss6 s LYS 17 Cb -0.16 -2.92 -0.05 0.00 -0.52 0.00 0.00 37.83 34.17 1ss6 s LYS 17 CO -0.09 0.71 0.18 -1.17 -0.92 0.00 0.00 175.35 174.06 1ss6 s LEU 18 N -1.14 4.17 0.00 3.17 2.96 0.18 -1.67 118.68 126.36 1ss6 s LEU 18 Ca 0.16 0.23 0.01 0.00 -0.22 0.00 0.00 54.13 54.30 1ss6 s LEU 18 Cb -0.12 -2.15 0.01 0.00 0.50 0.00 0.00 46.19 44.43 1ss6 s LEU 18 CO 0.06 0.11 0.05 0.79 -1.32 0.00 0.00 176.35 176.04 1ss6 n TRP 19 N 3.91 0.12 0.14 5.38 7.02 0.91 0.12 117.44 135.05 1ss6 n TRP 19 Ca -0.15 -1.16 0.02 0.00 -1.02 0.00 0.00 57.50 55.19 1ss6 n TRP 19 Cb 0.52 -0.17 0.12 0.00 -2.42 0.00 0.00 31.31 29.36 1ss6 n TRP 19 CO 0.00 0.00 0.00 1.57 -2.02 0.00 0.00 177.69 177.24 1ss6 h LYS 20 N 0.00 0.00 0.00 -0.99 5.09 -1.70 -3.37 116.57 115.59 1ss6 h LYS 20 Ca -0.19 0.00 -0.26 0.00 0.09 0.00 0.00 60.65 60.29 1ss6 h LYS 20 Cb 0.60 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 32.89 1ss6 h LYS 20 CO 0.31 0.55 -1.95 0.45 -2.09 0.00 0.00 179.45 176.72 1ss6 n SER 21 N -3.40 2.44 0.00 7.07 2.88 -1.26 -4.99 113.62 116.37 1ss6 n SER 21 Ca 0.01 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1ss6 n SER 21 Cb 0.68 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 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 2.56 3.63 2.95 0.46 0.00 -1.26 0.70 105.19 114.23 1ss6 n GLY 22 Ca -0.30 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.45 0.26 -0.07 1.61 -0.12 0.59 -0.06 117.98 119.74 1ss6 s PHE 23 Ca 0.00 -0.30 0.05 0.00 -0.05 0.00 0.00 56.93 56.63 1ss6 s PHE 23 Cb 0.00 -0.17 -0.01 0.00 -0.63 0.00 0.00 43.02 42.21 1ss6 s PHE 23 CO 0.00 -0.09 -0.23 0.45 -0.05 0.00 0.00 175.22 175.30 1ss6 s SER 24 N -0.84 3.26 0.45 1.98 0.15 -0.67 0.38 113.70 118.42 1ss6 s SER 24 Ca -0.08 -0.47 0.07 0.00 0.70 0.00 0.00 55.95 56.17 1ss6 s SER 24 Cb -0.06 -1.00 -0.01 0.00 -1.71 0.00 0.00 66.02 63.24 1ss6 s SER 24 CO -0.00 0.23 0.32 -0.76 1.20 0.00 0.00 173.24 174.23 1ss6 s LEU 25 N -0.09 3.10 0.56 3.45 1.02 -1.25 -0.60 118.68 124.86 1ss6 s LEU 25 Ca -0.05 -1.00 0.24 0.00 0.02 0.00 0.00 54.13 53.34 1ss6 s LEU 25 Cb -0.14 -1.60 1.51 0.00 0.02 0.00 0.00 46.19 45.98 1ss6 s LEU 25 CO 0.04 -0.75 2.12 -0.78 0.02 0.00 0.00 176.35 177.00 1ss6 h ASP 26 N 1.07 0.00 0.53 2.29 1.82 -1.62 -2.57 116.42 117.95 1ss6 h ASP 26 Ca -0.40 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 55.94 1ss6 h ASP 26 Cb 1.27 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.28 1ss6 h ASP 26 CO 0.61 0.00 -1.40 -0.55 -1.61 0.00 0.00 179.24 176.30 1ss6 h ASN 27 N 0.00 0.41 -0.21 2.28 7.08 -1.88 -3.49 115.58 119.77 1ss6 h ASN 27 Ca 0.08 -0.50 0.00 0.00 -3.08 0.00 0.00 56.30 52.80 1ss6 h ASN 27 Cb 0.37 -0.13 0.00 0.00 -2.08 0.00 0.00 38.32 36.48 1ss6 h ASN 27 CO -0.00 1.40 0.00 0.61 -2.08 0.00 0.00 177.43 177.36 1ss6 n GLY 28 N 1.60 5.75 0.04 9.14 0.00 -0.97 -5.16 105.19 115.59 1ss6 n GLY 28 Ca -0.13 -1.53 -0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 0.00 1.49 -1.67 1.61 1.02 -1.26 -3.84 120.64 118.00 1ss6 n GLU 29 Ca 0.00 -0.04 -0.41 0.00 -0.02 0.00 0.00 57.16 56.70 1ss6 n GLU 29 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 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 3.43 -0.33 -4.62 0.20 -1.26 -3.96 118.68 112.14 1ss6 s LEU 30 Ca 0.00 1.48 -0.12 0.00 0.69 0.00 0.00 54.13 56.18 1ss6 s LEU 30 Cb -0.00 -3.15 -0.02 0.00 -0.43 0.00 0.00 46.19 42.59 1ss6 s LEU 30 CO 0.00 -2.24 0.22 -0.13 -0.29 0.00 0.00 176.35 173.91 1ss6 s ARG 31 N 6.90 3.51 0.60 1.98 0.52 0.16 -4.79 118.95 127.83 1ss6 s ARG 31 Ca 0.95 -0.63 -0.19 0.00 -0.52 0.00 0.00 55.73 55.34 1ss6 s ARG 31 Cb -0.26 -3.76 -0.03 0.00 0.52 0.00 0.00 34.95 31.43 1ss6 s ARG 31 CO 0.31 -0.42 1.26 -1.12 0.02 0.00 0.00 175.30 175.35 1ss6 s SER 32 N 1.71 5.03 0.00 0.23 0.01 -1.26 -0.30 113.70 119.12 1ss6 s SER 32 Ca 0.06 2.52 -0.04 0.00 1.31 0.00 0.00 55.95 59.80 1ss6 s SER 32 Cb -0.17 -2.61 -0.17 0.00 0.21 0.00 0.00 66.02 63.28 1ss6 s SER 32 CO 0.10 -1.71 2.64 -1.22 0.41 0.00 0.00 173.24 173.46 1ss6 n TYR 33 N -1.58 0.00 0.06 2.43 4.01 0.22 -3.39 117.16 118.91 1ss6 n TYR 33 Ca 0.14 -1.07 0.00 0.00 -0.16 0.00 0.00 57.90 56.81 1ss6 n TYR 33 Cb 0.48 -1.16 0.00 0.00 -0.31 0.00 0.00 39.34 38.35 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 2.45 0.00 -1.68 -0.72 6.02 -1.26 -5.03 117.38 117.16 1ss6 n GLN 34 Ca 0.27 0.00 -0.44 0.00 -0.01 0.00 0.00 57.00 56.82 1ss6 n GLN 34 Cb 0.64 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.88 1ss6 n GLN 34 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1ss6 n ASP 35 N -2.85 2.99 0.30 1.08 -0.08 -1.22 -4.81 116.55 111.95 1ss6 n ASP 35 Ca 0.00 1.13 0.19 0.00 -1.51 0.00 0.00 54.79 54.60 1ss6 n ASP 35 Cb 0.00 -1.46 1.01 0.00 2.34 0.00 0.00 41.12 43.02 1ss6 n ASP 35 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1ss6 h PRO 36 N 4.56 0.00 0.00 -0.67 0.11 -1.99 0.33 132.00 134.34 1ss6 h PRO 36 Ca -0.45 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.52 1ss6 h PRO 36 Cb 1.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1ss6 h PRO 36 CO 0.78 0.00 -0.65 0.77 -0.21 0.00 0.00 178.00 178.69 1ss6 h SER 37 N 0.00 0.00 1.10 -2.05 0.02 -1.96 -3.01 113.55 107.64 1ss6 h SER 37 Ca 0.02 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.82 1ss6 h SER 37 Cb 0.18 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 1ss6 h SER 37 CO -0.00 0.65 -0.95 0.78 -1.14 0.00 0.00 176.83 176.17 1ss6 h ASN 38 N 0.00 0.00 -0.40 3.07 2.35 -1.27 -3.09 115.58 116.24 1ss6 h ASN 38 Ca -0.01 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.80 1ss6 h ASN 38 Cb 1.36 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.70 1ss6 h ASN 38 CO 0.08 0.59 0.27 0.00 -1.65 0.00 0.00 177.43 176.72 1ss6 h ALA 39 N 1.41 1.98 -0.12 -0.83 0.00 -1.20 -1.87 119.26 118.63 1ss6 h ALA 39 Ca -0.08 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1ss6 h ALA 39 Cb 1.51 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 19.17 1ss6 h ALA 39 CO 0.06 -0.06 -0.49 0.37 0.00 0.00 0.00 179.25 179.14 1ss6 h GLN 40 N 0.31 -0.53 0.40 0.00 4.15 -1.46 -1.91 115.11 116.06 1ss6 h GLN 40 Ca 0.18 0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.61 1ss6 h GLN 40 Cb 0.31 0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.12 1ss6 h GLN 40 CO -0.04 -0.35 -0.19 0.74 -1.93 0.00 0.00 178.83 177.06 1ss6 h PHE 41 N -0.55 -0.49 -0.55 3.99 0.04 -1.56 -0.80 116.94 117.01 1ss6 h PHE 41 Ca 0.05 -0.01 0.10 0.00 2.80 0.00 0.00 57.97 60.91 1ss6 h PHE 41 Cb 0.66 0.16 -0.11 0.00 2.20 0.00 0.00 35.95 38.87 1ss6 h PHE 41 CO -0.54 -0.23 -0.33 -0.07 -0.60 0.00 0.00 178.31 176.55 1ss6 h LEU 42 N -0.67 -1.13 -0.07 1.54 3.38 -1.26 0.68 115.31 117.78 1ss6 h LEU 42 Ca -0.05 0.22 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1ss6 h LEU 42 Cb 0.49 0.56 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 1ss6 h LEU 42 CO 0.09 -0.30 -0.08 -0.33 0.09 0.00 0.00 178.44 177.90 1ss6 h GLU 43 N -0.18 0.17 -0.60 1.13 4.39 -1.36 -1.45 114.58 116.68 1ss6 h GLU 43 Ca 0.22 -0.10 0.10 0.00 0.34 0.00 0.00 59.36 59.92 1ss6 h GLU 43 Cb 0.55 0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 29.12 1ss6 h GLU 43 CO -0.65 0.64 0.18 0.77 -1.16 0.00 0.00 179.01 178.79 1ss6 h SER 44 N -0.28 0.13 0.78 1.42 0.02 -0.33 0.31 113.55 115.60 1ss6 h SER 44 Ca 0.01 0.09 -0.15 0.00 -0.84 0.00 0.00 61.79 60.90 1ss6 h SER 44 Cb 0.61 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.23 1ss6 h SER 44 CO 0.02 0.08 -0.72 0.40 -1.14 0.00 0.00 176.83 175.47 1ss6 h ILE 45 N 0.34 1.49 -0.20 3.27 2.04 0.35 0.30 117.51 125.10 1ss6 h ILE 45 Ca 0.31 -2.51 -0.02 0.00 1.00 0.00 0.00 64.86 63.64 1ss6 h ILE 45 Cb 0.41 2.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.85 1ss6 h ILE 45 CO -0.34 0.71 0.04 0.03 0.00 0.00 0.00 178.15 178.59 1ss6 h ARG 46 N 0.00 0.33 -0.22 2.37 3.08 -0.37 -3.14 114.38 116.43 1ss6 h ARG 46 Ca -0.01 -0.08 -0.07 0.00 0.07 0.00 0.00 59.98 59.89 1ss6 h ARG 46 Cb 1.31 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 1ss6 h ARG 46 CO 0.09 0.47 -0.17 0.00 -1.07 0.00 0.00 179.97 179.30 1ss6 h ARG 47 N 0.13 0.38 0.00 0.04 2.47 -0.05 -3.46 114.38 113.89 1ss6 h ARG 47 Ca 0.06 -0.11 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1ss6 h ARG 47 Cb 0.30 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 28.58 1ss6 h ARG 47 CO 0.00 0.55 0.00 0.41 0.56 0.00 0.00 179.97 181.49 1ss6 n GLY 48 N -0.64 1.15 3.94 0.04 0.00 0.46 -5.09 105.19 105.05 1ss6 n GLY 48 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.67 3.09 -0.27 1.61 2.02 0.78 -4.98 118.70 120.28 1ss6 s GLU 49 Ca 0.00 -0.28 -0.16 0.00 0.02 0.00 0.00 54.97 54.55 1ss6 s GLU 49 Cb 0.00 -2.47 -0.03 0.00 0.10 0.00 0.00 34.13 31.73 1ss6 s GLU 49 CO 0.00 -0.36 0.41 0.54 0.02 0.00 0.00 175.26 175.87 1ss6 s VAL 50 N -2.68 5.15 0.26 2.63 0.11 -1.26 -4.16 120.40 120.45 1ss6 s VAL 50 Ca 0.49 0.61 -0.29 0.00 -2.93 0.00 0.00 61.98 59.86 1ss6 s VAL 50 Cb -0.10 -3.74 -0.09 0.00 -1.53 0.00 0.00 36.38 30.92 1ss6 s VAL 50 CO 0.40 0.12 1.23 -2.84 -3.33 0.00 0.00 175.10 170.69 1ss6 s PRO 51 N 2.13 4.46 0.56 1.54 0.02 -1.26 -4.94 135.00 137.52 1ss6 s PRO 51 Ca 0.16 2.01 0.31 0.00 0.02 0.00 0.00 61.00 63.51 1ss6 s PRO 51 Cb -0.16 -3.16 1.63 0.00 0.02 0.00 0.00 34.50 32.83 1ss6 s PRO 51 CO 0.10 -0.08 2.12 0.00 -0.33 0.00 0.00 177.00 178.81 1ss6 h ALA 52 N 4.29 1.21 0.00 -1.55 0.00 -1.97 -1.51 119.26 119.73 1ss6 h ALA 52 Ca -0.47 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 1ss6 h ALA 52 Cb 1.22 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1ss6 h ALA 52 CO 0.70 0.09 -0.20 0.93 0.00 0.00 0.00 179.25 180.77 1ss6 h GLU 53 N 0.00 0.00 0.01 0.00 4.39 -1.92 0.49 114.58 117.55 1ss6 h GLU 53 Ca -0.00 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.46 1ss6 h GLU 53 Cb 0.28 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 1ss6 h GLU 53 CO 0.01 0.20 -1.32 -0.07 -1.16 0.00 0.00 179.01 176.67 1ss6 h LEU 54 N 0.00 0.03 0.33 1.33 3.38 -1.69 -3.34 115.31 115.34 1ss6 h LEU 54 Ca -0.00 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 57.42 1ss6 h LEU 54 Cb 0.45 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1ss6 h LEU 54 CO 0.03 1.52 -0.16 -0.09 0.09 0.00 0.00 178.44 179.83 1ss6 h ARG 55 N -0.93 -0.42 -1.60 1.13 1.12 -1.30 -2.61 114.38 109.76 1ss6 h ARG 55 Ca -0.36 0.03 -0.20 0.00 -1.11 0.00 0.00 59.98 58.34 1ss6 h ARG 55 Cb 1.36 0.10 -0.09 0.00 -0.01 0.00 0.00 29.97 31.32 1ss6 h ARG 55 CO -0.20 -0.10 0.26 0.54 -3.11 0.00 0.00 179.97 177.36 1ss6 n ARG 56 N -5.12 1.49 -0.00 0.20 5.12 0.17 -2.79 116.66 115.73 1ss6 n ARG 56 Ca -0.09 -0.98 -0.03 0.00 -1.93 0.00 0.00 57.85 54.82 1ss6 n ARG 56 Cb 0.27 -1.38 -0.01 0.00 -1.16 0.00 0.00 32.46 30.18 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 0.67 0.45 0.00 0.55 -0.00 -1.07 -4.85 117.00 112.76 1ss6 n LEU 57 Ca 0.19 0.07 -0.11 0.00 -0.00 0.00 0.00 56.01 56.15 1ss6 n LEU 57 Cb 0.59 -0.16 0.07 0.00 -0.00 0.00 0.00 43.42 43.93 1ss6 n LEU 57 CO 0.23 -0.13 0.33 0.00 -0.00 0.00 0.00 177.39 177.82 1ss6 n ALA 58 N -3.25 -0.41 0.29 1.96 0.00 -1.01 -4.95 120.51 113.14 1ss6 n ALA 58 Ca -0.05 -0.76 0.16 0.00 0.00 0.00 0.00 53.44 52.80 1ss6 n ALA 58 Cb 0.42 0.02 0.89 0.00 0.00 0.00 0.00 19.45 20.78 1ss6 n ALA 58 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1ss6 h HIS 59 N -1.05 0.00 0.00 0.00 2.76 -1.70 -3.46 115.15 111.70 1ss6 h HIS 59 Ca -0.17 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.00 1ss6 h HIS 59 Cb 0.50 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.46 1ss6 h HIS 59 CO 0.00 0.05 0.00 0.41 -1.30 0.00 0.00 177.93 177.09 1ss6 n GLY 60 N -0.87 1.03 0.00 5.26 0.00 -1.12 -4.91 105.19 104.58 1ss6 n GLY 60 Ca -0.02 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.36 1.85 3.57 -0.02 0.00 -1.26 -4.71 105.19 103.26 1ss6 n GLY 61 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 0.06 3.30 -0.59 1.61 0.74 -1.26 -4.91 119.66 118.61 1ss6 s GLN 62 Ca 0.00 -1.09 -0.22 0.00 0.05 0.00 0.00 55.36 54.10 1ss6 s GLN 62 Cb 0.00 -5.31 0.06 0.00 1.10 0.00 0.00 33.01 28.86 1ss6 s GLN 62 CO 0.00 -2.68 0.86 0.08 -0.55 0.00 0.00 175.29 173.00 1ss6 s VAL 63 N 6.69 4.51 -0.14 1.34 1.01 -1.26 0.14 120.40 132.68 1ss6 s VAL 63 Ca 0.56 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.25 1ss6 s VAL 63 Cb -0.01 -4.55 0.01 0.00 0.00 0.00 0.00 36.38 31.84 1ss6 s VAL 63 CO -0.02 -1.20 -0.20 0.21 0.00 0.00 0.00 175.10 173.89 1ss6 s ASN 64 N 3.27 2.95 0.13 3.32 2.47 0.13 -5.00 114.94 122.21 1ss6 s ASN 64 Ca 0.21 -0.57 0.09 0.00 0.42 0.00 0.00 52.86 53.01 1ss6 s ASN 64 Cb -0.17 -1.36 -0.04 0.00 -1.45 0.00 0.00 41.25 38.23 1ss6 s ASN 64 CO 0.12 0.04 -0.16 -1.48 -3.72 0.00 0.00 177.10 171.90 1ss6 s LEU 65 N 1.02 2.77 -0.06 3.21 2.34 -1.26 -0.84 118.68 125.86 1ss6 s LEU 65 Ca -0.03 -0.56 0.03 0.00 0.06 0.00 0.00 54.13 53.64 1ss6 s LEU 65 Cb -0.15 -1.58 0.00 0.00 -0.56 0.00 0.00 46.19 43.91 1ss6 s LEU 65 CO -0.05 0.16 -0.16 -1.81 -1.06 0.00 0.00 176.35 173.43 1ss6 s ASP 66 N -2.28 2.15 -0.25 1.48 1.01 -0.77 -4.96 116.67 113.05 1ss6 s ASP 66 Ca 0.20 -0.36 -0.09 0.00 0.71 0.00 0.00 52.55 53.00 1ss6 s ASP 66 Cb -0.10 -0.83 -0.04 0.00 1.01 0.00 0.00 42.92 42.96 1ss6 s ASP 66 CO 0.11 0.10 0.13 -0.04 0.21 0.00 0.00 175.17 175.68 1ss6 s MET 67 N 0.35 3.88 0.34 8.23 -1.94 -1.25 0.09 119.30 129.00 1ss6 s MET 67 Ca -0.11 -0.36 0.08 0.00 -1.71 0.00 0.00 55.69 53.58 1ss6 s MET 67 Cb -0.14 -3.46 -0.03 0.00 2.01 0.00 0.00 34.83 33.20 1ss6 s MET 67 CO 0.04 -0.07 0.23 -1.21 -0.01 0.00 0.00 175.02 174.01 1ss6 s GLU 68 N 1.37 2.59 -0.26 2.03 2.02 0.62 -4.99 118.70 122.08 1ss6 s GLU 68 Ca 0.06 -1.39 -0.01 0.00 0.02 0.00 0.00 54.97 53.66 1ss6 s GLU 68 Cb -0.15 -2.36 0.04 0.00 0.10 0.00 0.00 34.13 31.76 1ss6 s GLU 68 CO 0.06 0.10 -0.06 0.34 0.02 0.00 0.00 175.26 175.72 1ss6 s ASP 69 N -3.94 4.43 0.11 -0.19 -1.08 -1.26 -0.64 116.67 114.09 1ss6 s ASP 69 Ca 0.40 -1.07 0.00 0.00 -0.52 0.00 0.00 52.55 51.35 1ss6 s ASP 69 Cb -0.05 -1.64 0.00 0.00 -1.46 0.00 0.00 42.92 39.77 1ss6 s ASP 69 CO 0.25 -0.17 0.00 1.41 0.52 0.00 0.00 175.17 177.18 1ss6 n HIS 70 N 4.61 -0.22 0.00 -5.34 8.25 -0.17 -4.82 115.22 117.52 1ss6 n HIS 70 Ca -0.15 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 1ss6 n HIS 70 Cb 0.45 0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.62 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 -3.45 0.00 0.00 -0.41 1.74 0.12 -3.33 116.66 111.33 1ss6 n ARG 71 Ca 0.00 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.17 1ss6 n ARG 71 Cb 0.04 0.00 0.49 0.00 -1.02 0.00 0.00 32.46 31.97 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 0.73 0.00 -0.25 0.55 5.68 -1.26 -1.04 116.55 120.96 1ss6 n ASP 72 Ca 0.00 -0.18 0.08 0.00 -0.50 0.00 0.00 54.79 54.19 1ss6 n ASP 72 Cb 0.00 -0.19 0.40 0.00 -1.14 0.00 0.00 41.12 40.19 1ss6 n ASP 72 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1ss6 n GLU 73 N -1.19 1.32 0.00 0.11 1.02 -1.21 -4.97 120.64 115.73 1ss6 n GLU 73 Ca 0.10 -0.48 0.00 0.00 -0.02 0.00 0.00 57.16 56.76 1ss6 n GLU 73 Cb 0.12 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 1ss6 n GLU 73 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1ss6 n ASP 74 N -0.26 0.00 -3.85 1.62 2.03 -0.20 -4.24 116.55 111.65 1ss6 n ASP 74 Ca 0.13 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.29 1ss6 n ASP 74 Cb 0.17 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.42 1ss6 n ASP 74 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1ss6 s PHE 75 N 0.00 0.21 -0.31 -0.67 5.36 -1.26 -4.26 117.98 117.05 1ss6 s PHE 75 Ca 0.00 0.01 -0.08 0.00 -0.96 0.00 0.00 56.93 55.89 1ss6 s PHE 75 Cb 0.00 -0.26 0.19 0.00 -0.34 0.00 0.00 43.02 42.61 1ss6 s PHE 75 CO 0.00 -0.07 0.99 0.54 -1.46 0.00 0.00 175.22 175.22 1ss6 s VAL 76 N 0.57 -0.34 0.23 3.12 0.11 -1.26 -5.03 120.40 117.80 1ss6 s VAL 76 Ca -0.05 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.00 1ss6 s VAL 76 Cb -0.08 -0.23 0.00 0.00 -1.53 0.00 0.00 36.38 34.53 1ss6 s VAL 76 CO -0.01 0.00 0.00 1.17 -3.33 0.00 0.00 175.10 172.93 1ss6 n LYS 77 N 4.72 0.00 -0.15 1.54 0.00 -1.26 -4.81 118.16 118.21 1ss6 n LYS 77 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 58.31 58.29 1ss6 n LYS 77 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.61 1ss6 n LYS 77 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.40 176.05 1ss6 h PRO 78 N 0.00 0.80 0.00 1.64 0.11 -1.87 -1.70 132.00 130.98 1ss6 h PRO 78 Ca 0.00 -0.27 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1ss6 h PRO 78 Cb 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.05 1ss6 h PRO 78 CO 0.00 0.88 0.00 0.36 -0.21 0.00 0.00 178.00 179.03 1ss6 n LYS 79 N -4.36 0.17 -2.61 1.05 2.85 -1.26 -2.29 118.16 111.70 1ss6 n LYS 79 Ca -0.00 0.15 -0.06 0.00 -1.05 0.00 0.00 58.31 57.35 1ss6 n LYS 79 Cb 0.32 -1.50 0.04 0.00 -0.65 0.00 0.00 35.03 33.25 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 -0.50 2.91 5.25 2.58 0.00 -0.69 -5.04 105.19 109.70 1ss6 n GLY 80 Ca 0.05 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.61 0.00 -1.17 4.61 0.00 -0.93 -1.56 120.51 120.85 1ss6 n ALA 81 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1ss6 n ALA 81 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.30 1ss6 n ALA 81 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1ss6 n PHE 82 N 0.00 0.00 -2.90 0.00 -1.74 -1.01 -4.25 117.46 107.56 1ss6 n PHE 82 Ca 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 57.45 56.88 1ss6 n PHE 82 Cb 0.00 0.02 -0.01 0.00 1.52 0.00 0.00 39.48 41.01 1ss6 n PHE 82 CO 0.00 0.00 0.00 1.63 -0.56 0.00 0.00 176.76 177.83 1ss6 n LYS 83 N 0.00 -2.35 -1.60 3.97 4.76 -0.60 -4.85 118.16 117.48 1ss6 n LYS 83 Ca 0.00 2.05 -0.48 0.00 -2.87 0.00 0.00 58.31 57.00 1ss6 n LYS 83 Cb 0.11 -3.25 -0.04 0.00 -1.84 0.00 0.00 35.03 30.01 1ss6 n LYS 83 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ss6 n ALA 84 N 1.35 -0.39 -0.99 7.82 0.00 -1.26 -4.73 120.51 122.31 1ss6 n ALA 84 Ca -0.08 0.46 -0.32 0.00 0.00 0.00 0.00 53.44 53.50 1ss6 n ALA 84 Cb 0.28 -2.09 -0.03 0.00 0.00 0.00 0.00 19.45 17.60 1ss6 n ALA 84 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1ss6 n PHE 85 N 1.81 1.77 -3.04 0.00 -1.74 -1.26 -4.41 117.46 110.58 1ss6 n PHE 85 Ca 0.15 -2.05 -0.16 0.00 -0.56 0.00 0.00 57.45 54.83 1ss6 n PHE 85 Cb 0.25 -1.80 -0.03 0.00 1.52 0.00 0.00 39.48 39.42 1ss6 n PHE 85 CO 0.00 0.00 0.00 2.41 -0.56 0.00 0.00 176.76 178.61 1ss6 n THR 86 N 4.88 -0.53 -2.57 1.97 -1.04 -1.26 -5.10 114.28 110.64 1ss6 n THR 86 Ca 0.49 -2.47 -0.41 0.00 -2.04 0.00 0.00 64.05 59.62 1ss6 n THR 86 Cb 0.25 -0.34 -0.03 0.00 -1.82 0.00 0.00 70.33 68.40 1ss6 n THR 86 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1ss6 s GLY 87 N -0.30 0.94 0.25 3.41 0.00 -1.26 -4.85 107.32 105.51 1ss6 s GLY 87 Ca 0.32 -1.29 -0.05 0.00 0.00 0.00 0.00 44.72 43.70 1ss6 s GLY 87 CO -0.15 2.60 1.86 1.05 0.00 0.00 0.00 173.10 178.46 1ss6 h GLU 88 N 9.93 0.98 -1.77 2.90 4.11 -1.98 -1.81 114.58 126.94 1ss6 h GLU 88 Ca -0.28 -0.06 -0.74 0.00 0.07 0.00 0.00 59.36 58.35 1ss6 h GLU 88 Cb 1.05 -0.22 -0.28 0.00 0.50 0.00 0.00 28.75 29.80 1ss6 h GLU 88 CO 1.26 0.65 0.95 0.41 0.07 0.00 0.00 179.01 182.34 1ss6 n GLY 89 N -1.34 5.62 0.66 1.06 0.00 -1.26 -3.76 105.19 106.18 1ss6 n GLY 89 Ca 0.13 -2.46 0.00 0.00 0.00 0.00 0.00 46.02 43.69 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 -0.62 0.00 -0.00 1.61 7.27 -0.69 -4.94 117.38 120.02 1ss6 n GLN 90 Ca 0.55 0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.68 1ss6 n GLN 90 Cb 0.34 0.00 -0.08 0.00 2.41 0.00 0.00 30.24 32.91 1ss6 n GLN 90 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1ss6 n LYS 91 N -1.67 2.07 -2.20 3.69 4.81 -1.18 -5.00 118.16 118.68 1ss6 n LYS 91 Ca 0.00 -0.04 -0.16 0.00 -0.87 0.00 0.00 58.31 57.24 1ss6 n LYS 91 Cb 0.00 -1.16 -0.02 0.00 0.02 0.00 0.00 35.03 33.87 1ss6 n LYS 91 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 1ss6 n LEU 92 N -1.50 -1.67 -3.65 3.14 7.94 -1.24 -4.95 117.00 115.07 1ss6 n LEU 92 Ca 0.01 0.04 0.01 0.00 -1.11 0.00 0.00 56.01 54.96 1ss6 n LEU 92 Cb 0.24 -2.40 -0.06 0.00 0.53 0.00 0.00 43.42 41.73 1ss6 n LEU 92 CO 0.26 -0.26 1.01 -0.83 -1.11 0.00 0.00 177.39 176.46 1ss6 s GLY 93 N -2.34 0.58 0.28 -3.96 0.00 -1.26 -5.02 107.32 95.59 1ss6 s GLY 93 Ca 0.00 3.78 0.22 0.00 0.00 0.00 0.00 44.72 48.72 1ss6 s GLY 93 CO 0.00 2.66 1.23 1.76 0.00 0.00 0.00 173.10 178.75 1ss6 h SER 94 N 4.90 0.00 -3.70 1.64 0.02 -1.95 -3.40 113.55 111.07 1ss6 h SER 94 Ca -0.26 0.00 -0.72 0.00 -0.84 0.00 0.00 61.79 59.96 1ss6 h SER 94 Cb 1.16 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 63.37 1ss6 h SER 94 CO 0.23 0.04 -0.11 -0.89 -1.14 0.00 0.00 176.83 174.96 1ss6 s THR 95 N -3.28 4.46 -0.42 -2.27 2.01 -1.26 -4.90 115.64 109.98 1ss6 s THR 95 Ca 0.02 -3.36 0.05 0.00 0.31 0.00 0.00 61.69 58.70 1ss6 s THR 95 Cb 0.08 -3.79 0.19 0.00 0.01 0.00 0.00 72.50 68.98 1ss6 s THR 95 CO 0.75 -1.02 0.73 0.00 -0.69 0.00 0.00 174.62 174.39 1ss6 s ALA 96 N -0.74 -2.68 0.00 7.40 0.00 -1.26 -5.08 121.76 119.39 1ss6 s ALA 96 Ca 0.23 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1ss6 s ALA 96 Cb -0.12 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.22 1ss6 s ALA 96 CO -0.09 -2.28 0.76 -0.35 0.00 0.00 0.00 175.76 173.81 1ss6 n PRO 97 N 3.86 0.00 0.00 0.00 -0.04 -1.26 -5.04 135.00 132.52 1ss6 n PRO 97 Ca 0.12 0.39 0.00 0.00 -0.04 0.00 0.00 63.50 63.97 1ss6 n PRO 97 Cb 0.58 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 1ss6 n PRO 97 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1ss6 n GLN 98 N -1.67 0.00 0.00 0.54 7.27 -1.26 -5.10 117.38 117.16 1ss6 n GLN 98 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1ss6 n GLN 98 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1ss6 n GLN 98 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1ss6 n VAL 99 N -0.04 0.00 0.04 1.69 0.31 -1.26 -4.48 118.33 114.59 1ss6 n VAL 99 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1ss6 n VAL 99 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1ss6 n VAL 99 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1ss6 n LEU 100 N 0.00 -0.69 0.00 7.52 7.94 -1.26 -5.14 117.00 125.37 1ss6 n LEU 100 Ca 0.00 0.20 -0.17 0.00 -1.11 0.00 0.00 56.01 54.93 1ss6 n LEU 100 Cb 0.00 0.91 0.06 0.00 0.53 0.00 0.00 43.42 44.92 1ss6 n LEU 100 CO 0.00 -0.16 0.34 -1.20 -1.11 0.00 0.00 177.39 175.26 1ss6 n SER 101 N -2.40 1.76 0.00 1.96 7.64 -1.26 -5.20 113.62 116.11 1ss6 n SER 101 Ca 0.00 -2.30 0.00 0.00 1.01 0.00 0.00 58.87 57.58 1ss6 n SER 101 Cb 0.00 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 1ss6 n SER 101 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44