#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 7.40 0.00 1.61 3.41 -1.26 -4.77 113.62 120.02 1ss6 n SER 2 Ca 0.00 -3.64 -0.00 0.00 -0.26 0.00 0.00 58.87 54.97 1ss6 n SER 2 Cb 0.00 -1.16 -0.00 0.00 -0.26 0.00 0.00 64.21 62.79 1ss6 n SER 2 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1ss6 h GLU 3 N 3.61 -0.01 0.00 4.33 4.22 -2.04 -3.47 114.58 121.22 1ss6 h GLU 3 Ca 0.55 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.99 1ss6 h GLU 3 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1ss6 h GLU 3 CO 1.28 -0.00 0.00 0.36 -2.18 0.00 0.00 179.01 178.46 1ss6 n LYS 4 N -2.07 2.17 0.00 1.92 2.85 -1.26 -4.86 118.16 116.91 1ss6 n LYS 4 Ca -0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1ss6 n LYS 4 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1ss6 n LYS 4 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1ss6 n ARG 5 N 0.00 0.00 -1.98 -1.58 1.74 -1.26 -4.60 116.66 108.98 1ss6 n ARG 5 Ca 0.00 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.88 1ss6 n ARG 5 Cb 0.00 -0.01 -0.05 0.00 -1.02 0.00 0.00 32.46 31.38 1ss6 n ARG 5 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1ss6 n GLN 6 N 0.00 -1.46 -3.98 5.56 6.02 -1.26 -4.95 117.38 117.31 1ss6 n GLN 6 Ca 0.00 1.07 -0.31 0.00 -0.01 0.00 0.00 57.00 57.75 1ss6 n GLN 6 Cb 0.00 -5.53 -0.15 0.00 1.02 0.00 0.00 30.24 25.58 1ss6 n GLN 6 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1ss6 s HIS 7 N -2.85 2.67 -0.18 1.08 3.76 -1.26 -4.89 115.29 113.61 1ss6 s HIS 7 Ca 0.00 -1.94 0.18 0.00 -0.15 0.00 0.00 55.06 53.15 1ss6 s HIS 7 Cb 0.00 -1.69 -0.00 0.00 1.11 0.00 0.00 32.58 32.00 1ss6 s HIS 7 CO 0.00 -0.81 1.15 0.77 -0.85 0.00 0.00 174.74 175.00 1ss6 h SER 8 N 7.90 0.00 -0.68 1.40 0.02 -1.93 -3.40 113.55 116.86 1ss6 h SER 8 Ca -0.18 0.00 -0.73 0.00 -0.84 0.00 0.00 61.79 60.04 1ss6 h SER 8 Cb 1.06 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.51 1ss6 h SER 8 CO 0.43 0.40 2.67 -1.20 -1.14 0.00 0.00 176.83 177.99 1ss6 n SER 9 N -2.99 5.16 -2.21 3.07 7.64 -1.26 -2.70 113.62 120.33 1ss6 n SER 9 Ca -0.03 -2.96 -0.28 0.00 1.01 0.00 0.00 58.87 56.61 1ss6 n SER 9 Cb 0.73 -1.55 0.06 0.00 -1.01 0.00 0.00 64.21 62.43 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 4.56 2.36 -1.41 1.43 1.13 -1.26 -4.98 117.38 119.21 1ss6 n GLN 10 Ca 0.50 -2.64 -0.55 0.00 -1.94 0.00 0.00 57.00 52.37 1ss6 n GLN 10 Cb 0.35 -2.04 -0.09 0.00 0.11 0.00 0.00 30.24 28.57 1ss6 n GLN 10 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1ss6 n ASP 11 N -0.36 1.65 -4.03 1.08 5.75 -1.26 -4.58 116.55 114.80 1ss6 n ASP 11 Ca 0.50 0.59 -0.10 0.00 -0.01 0.00 0.00 54.79 55.78 1ss6 n ASP 11 Cb 0.60 -1.11 -0.08 0.00 -1.03 0.00 0.00 41.12 39.50 1ss6 n ASP 11 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 1ss6 s VAL 12 N 6.35 0.08 -0.15 2.12 -7.23 -0.22 -5.01 120.40 116.34 1ss6 s VAL 12 Ca 1.12 -1.59 0.01 0.00 -1.81 0.00 0.00 61.98 59.71 1ss6 s VAL 12 Cb -1.12 -1.93 -0.00 0.00 0.56 0.00 0.00 36.38 33.88 1ss6 s VAL 12 CO 0.58 -0.35 -0.16 -1.00 -0.31 0.00 0.00 175.10 173.86 1ss6 s HIS 13 N -4.00 2.76 -0.38 2.82 3.76 -1.25 -1.86 115.29 117.13 1ss6 s HIS 13 Ca 0.20 -1.06 -0.12 0.00 -0.15 0.00 0.00 55.06 53.93 1ss6 s HIS 13 Cb 0.05 -1.87 0.02 0.00 1.11 0.00 0.00 32.58 31.89 1ss6 s HIS 13 CO 0.01 -0.48 0.23 0.08 -0.85 0.00 0.00 174.74 173.73 1ss6 s VAL 14 N 0.78 4.83 -0.30 -0.90 1.01 0.13 -4.92 120.40 121.03 1ss6 s VAL 14 Ca -0.06 -0.71 -0.29 0.00 0.00 0.00 0.00 61.98 60.92 1ss6 s VAL 14 Cb -0.15 -3.66 0.01 0.00 0.00 0.00 0.00 36.38 32.58 1ss6 s VAL 14 CO 0.00 -0.21 1.12 -0.69 0.00 0.00 0.00 175.10 175.32 1ss6 s VAL 15 N 1.61 4.45 -0.24 2.92 1.01 -1.26 -1.15 120.40 127.74 1ss6 s VAL 15 Ca 0.03 1.69 -0.08 0.00 0.00 0.00 0.00 61.98 63.62 1ss6 s VAL 15 Cb -0.19 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 31.82 1ss6 s VAL 15 CO 0.08 -0.43 0.09 -0.22 0.00 0.00 0.00 175.10 174.62 1ss6 s LEU 16 N 3.71 3.63 -0.12 3.92 0.20 0.18 -2.33 118.68 127.87 1ss6 s LEU 16 Ca 0.48 -0.11 -0.05 0.00 0.69 0.00 0.00 54.13 55.14 1ss6 s LEU 16 Cb -0.14 -1.97 -0.04 0.00 -0.43 0.00 0.00 46.19 43.62 1ss6 s LEU 16 CO 0.16 0.01 0.06 -0.54 -0.29 0.00 0.00 176.35 175.75 1ss6 s LYS 17 N 1.37 3.40 -0.13 1.98 1.02 0.37 0.29 119.74 128.06 1ss6 s LYS 17 Ca 0.06 -0.30 -0.08 0.00 0.02 0.00 0.00 55.97 55.66 1ss6 s LYS 17 Cb -0.15 -3.04 -0.04 0.00 -0.52 0.00 0.00 37.83 34.08 1ss6 s LYS 17 CO 0.05 0.61 0.16 -0.51 -0.92 0.00 0.00 175.35 174.74 1ss6 s LEU 18 N -0.59 4.36 0.42 3.17 1.43 0.13 -0.05 118.68 127.54 1ss6 s LEU 18 Ca 0.11 0.46 0.04 0.00 -1.03 0.00 0.00 54.13 53.71 1ss6 s LEU 18 Cb -0.12 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 43.96 1ss6 s LEU 18 CO 0.02 0.35 0.12 0.26 0.23 0.00 0.00 176.35 177.33 1ss6 s TRP 19 N -0.72 1.80 0.40 0.29 0.52 0.16 -0.56 118.94 120.83 1ss6 s TRP 19 Ca 0.14 -1.25 0.23 0.00 0.02 0.00 0.00 56.10 55.24 1ss6 s TRP 19 Cb -0.12 -1.21 1.24 0.00 -1.15 0.00 0.00 33.47 32.23 1ss6 s TRP 19 CO 0.04 -0.24 2.01 1.57 0.02 0.00 0.00 176.95 180.35 1ss6 h LYS 20 N 1.74 0.00 0.00 4.98 5.09 -1.85 -3.21 116.57 123.31 1ss6 h LYS 20 Ca -0.36 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.38 1ss6 h LYS 20 Cb 1.28 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.61 1ss6 h LYS 20 CO 0.58 0.17 0.00 0.43 -2.09 0.00 0.00 179.45 178.54 1ss6 n SER 21 N -3.83 0.40 0.00 7.07 7.64 -1.26 -4.87 113.62 118.77 1ss6 n SER 21 Ca -0.02 -0.75 0.00 0.00 1.01 0.00 0.00 58.87 59.11 1ss6 n SER 21 Cb 0.27 0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1ss6 n SER 21 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ss6 n GLY 22 N 0.23 2.01 3.23 0.23 0.00 -1.21 -1.37 105.19 108.30 1ss6 n GLY 22 Ca 0.00 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.72 -0.11 -0.01 1.61 -0.12 0.74 0.37 117.98 118.76 1ss6 s PHE 23 Ca 0.00 0.07 0.00 0.00 -0.05 0.00 0.00 56.93 56.95 1ss6 s PHE 23 Cb 0.00 0.07 0.01 0.00 -0.63 0.00 0.00 43.02 42.47 1ss6 s PHE 23 CO 0.00 -0.42 -0.00 0.45 -0.05 0.00 0.00 175.22 175.19 1ss6 s SER 24 N -1.67 0.15 0.06 1.98 0.15 0.93 0.43 113.70 115.72 1ss6 s SER 24 Ca -0.10 -0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.55 1ss6 s SER 24 Cb -0.03 -0.05 -0.03 0.00 -1.71 0.00 0.00 66.02 64.20 1ss6 s SER 24 CO 0.01 -0.02 -0.05 -1.48 1.20 0.00 0.00 173.24 172.90 1ss6 s LEU 25 N 0.27 2.42 -0.81 3.45 2.34 -0.93 0.14 118.68 125.56 1ss6 s LEU 25 Ca -0.02 -0.85 -0.24 0.00 0.06 0.00 0.00 54.13 53.08 1ss6 s LEU 25 Cb -0.04 0.05 -0.18 0.00 -0.56 0.00 0.00 46.19 45.45 1ss6 s LEU 25 CO -0.01 -0.45 1.89 0.47 -1.06 0.00 0.00 176.35 177.20 1ss6 n ASP 26 N 0.52 2.32 0.00 1.48 9.92 -0.98 -0.93 116.55 128.88 1ss6 n ASP 26 Ca -0.16 -2.64 0.00 0.00 -0.53 0.00 0.00 54.79 51.46 1ss6 n ASP 26 Cb 0.59 -1.28 0.00 0.00 -0.64 0.00 0.00 41.12 39.79 1ss6 n ASP 26 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1ss6 n ASN 27 N 11.34 0.00 -3.62 -2.24 0.23 -1.26 -4.90 115.26 114.81 1ss6 n ASN 27 Ca 0.47 0.00 -0.15 0.00 -0.53 0.00 0.00 54.58 54.37 1ss6 n ASN 27 Cb 0.43 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.07 1ss6 n ASN 27 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1ss6 s GLY 28 N 0.00 -0.38 0.08 4.83 0.00 -0.11 -5.16 107.32 106.59 1ss6 s GLY 28 Ca 0.00 0.73 -0.01 0.00 0.00 0.00 0.00 44.72 45.44 1ss6 s GLY 28 CO 0.00 0.45 0.06 1.18 0.00 0.00 0.00 173.10 174.79 1ss6 n GLU 29 N 0.87 -1.44 -1.86 2.90 4.71 -1.26 -2.19 120.64 122.38 1ss6 n GLU 29 Ca -0.20 -0.10 -0.43 0.00 -0.01 0.00 0.00 57.16 56.43 1ss6 n GLU 29 Cb 0.58 -0.10 -0.03 0.00 -1.01 0.00 0.00 31.44 30.88 1ss6 n GLU 29 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1ss6 s LEU 30 N 0.00 3.92 -0.12 -4.62 0.20 -1.26 -4.41 118.68 112.39 1ss6 s LEU 30 Ca 0.04 1.97 -0.02 0.00 0.69 0.00 0.00 54.13 56.81 1ss6 s LEU 30 Cb -0.01 -3.53 -0.03 0.00 -0.43 0.00 0.00 46.19 42.20 1ss6 s LEU 30 CO 0.03 -1.39 -0.03 -0.13 -0.29 0.00 0.00 176.35 174.54 1ss6 s ARG 31 N 5.07 3.29 0.36 1.98 0.52 0.17 -4.86 118.95 125.48 1ss6 s ARG 31 Ca 0.84 -0.49 -0.25 0.00 -0.52 0.00 0.00 55.73 55.31 1ss6 s ARG 31 Cb -0.32 -2.82 -0.10 0.00 0.52 0.00 0.00 34.95 32.23 1ss6 s ARG 31 CO 0.34 0.47 0.97 -1.12 0.02 0.00 0.00 175.30 175.97 1ss6 s SER 32 N -0.25 7.15 0.51 0.23 0.01 -1.26 -0.18 113.70 119.91 1ss6 s SER 32 Ca 0.05 1.84 0.23 0.00 1.31 0.00 0.00 55.95 59.38 1ss6 s SER 32 Cb -0.13 -2.57 1.31 0.00 0.21 0.00 0.00 66.02 64.84 1ss6 s SER 32 CO 0.02 -0.21 1.98 1.88 0.41 0.00 0.00 173.24 177.33 1ss6 h TYR 33 N 2.79 0.11 0.00 2.43 0.05 -1.54 -2.75 116.97 118.06 1ss6 h TYR 33 Ca -0.47 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.21 1ss6 h TYR 33 Cb 1.19 -0.04 -0.02 0.00 1.01 0.00 0.00 36.73 38.88 1ss6 h TYR 33 CO 0.61 0.05 -1.58 1.04 -1.05 0.00 0.00 178.16 177.22 1ss6 n GLN 34 N -4.40 0.64 -1.59 4.88 6.02 -1.26 -4.25 117.38 117.42 1ss6 n GLN 34 Ca 0.11 0.04 -0.46 0.00 -0.01 0.00 0.00 57.00 56.68 1ss6 n GLN 34 Cb 0.58 -1.70 -0.02 0.00 1.02 0.00 0.00 30.24 30.12 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 -2.63 1.37 0.04 1.08 -0.08 -1.04 -4.71 116.55 110.59 1ss6 n ASP 35 Ca -0.08 1.17 0.20 0.00 -1.51 0.00 0.00 54.79 54.56 1ss6 n ASP 35 Cb 0.72 -1.28 0.72 0.00 2.34 0.00 0.00 41.12 43.62 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 2.47 0.00 0.00 -0.67 0.11 -1.92 0.32 132.00 132.31 1ss6 h PRO 36 Ca -0.41 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.51 1ss6 h PRO 36 Cb 1.34 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.42 1ss6 h PRO 36 CO 0.64 0.00 -1.15 0.77 -0.21 0.00 0.00 178.00 178.05 1ss6 h SER 37 N 0.00 0.00 1.46 -2.05 0.02 -1.95 -3.29 113.55 107.73 1ss6 h SER 37 Ca 0.22 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.10 1ss6 h SER 37 Cb 0.94 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.47 1ss6 h SER 37 CO -0.00 0.80 -0.56 0.78 -1.14 0.00 0.00 176.83 176.72 1ss6 h ASN 38 N 0.00 0.00 -0.47 3.07 2.35 -1.30 -2.99 115.58 116.24 1ss6 h ASN 38 Ca -0.11 0.00 0.14 0.00 -0.55 0.00 0.00 56.30 55.78 1ss6 h ASN 38 Cb 1.71 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 40.06 1ss6 h ASN 38 CO 0.09 0.32 0.34 0.00 -1.65 0.00 0.00 177.43 176.53 1ss6 h ALA 39 N 1.68 2.43 -0.21 -0.83 0.00 -1.22 -0.61 119.26 120.51 1ss6 h ALA 39 Ca -0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ss6 h ALA 39 Cb 1.27 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1ss6 h ALA 39 CO 0.04 -0.58 0.11 0.37 0.00 0.00 0.00 179.25 179.19 1ss6 h GLN 40 N 0.00 0.29 0.88 0.00 -0.00 -1.69 -1.70 115.11 112.89 1ss6 h GLN 40 Ca 0.22 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.65 58.80 1ss6 h GLN 40 Cb 0.90 -0.06 0.01 0.00 0.00 0.00 0.00 27.48 28.34 1ss6 h GLN 40 CO -0.00 0.28 -0.42 0.74 0.00 0.00 0.00 178.83 179.42 1ss6 h PHE 41 N 0.23 -1.09 -0.71 3.99 0.04 -1.28 -1.49 116.94 116.62 1ss6 h PHE 41 Ca 0.07 -0.03 0.11 0.00 2.80 0.00 0.00 57.97 60.93 1ss6 h PHE 41 Cb 0.07 0.36 -0.08 0.00 2.20 0.00 0.00 35.95 38.50 1ss6 h PHE 41 CO -0.04 -0.68 0.31 -0.07 -0.60 0.00 0.00 178.31 177.23 1ss6 h LEU 42 N -1.25 0.34 0.29 1.54 4.07 -1.45 0.33 115.31 119.19 1ss6 h LEU 42 Ca -0.12 0.08 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 1ss6 h LEU 42 Cb 0.91 0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.68 1ss6 h LEU 42 CO 0.20 0.17 -0.21 -0.08 -1.08 0.00 0.00 178.44 177.44 1ss6 h GLU 43 N 0.50 -0.46 -1.01 1.13 4.57 -1.30 -0.47 114.58 117.54 1ss6 h GLU 43 Ca 0.37 0.03 0.11 0.00 -1.18 0.00 0.00 59.36 58.69 1ss6 h GLU 43 Cb 0.47 0.10 -0.08 0.00 -0.16 0.00 0.00 28.75 29.08 1ss6 h GLU 43 CO -0.33 -0.31 0.64 0.77 -1.18 0.00 0.00 179.01 178.60 1ss6 h SER 44 N -0.48 0.94 0.93 1.04 0.02 -0.66 0.15 113.55 115.49 1ss6 h SER 44 Ca -0.04 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 1ss6 h SER 44 Cb 0.39 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1ss6 h SER 44 CO 0.02 0.51 -0.25 0.40 -1.14 0.00 0.00 176.83 176.38 1ss6 h ILE 45 N 1.02 0.60 0.00 3.27 2.04 -0.29 0.18 117.51 124.33 1ss6 h ILE 45 Ca 0.49 -1.19 -0.24 0.00 1.00 0.00 0.00 64.86 64.92 1ss6 h ILE 45 Cb 0.45 1.80 -0.04 0.00 -0.74 0.00 0.00 36.82 38.29 1ss6 h ILE 45 CO -0.25 0.24 -1.26 0.03 0.00 0.00 0.00 178.15 176.91 1ss6 h ARG 46 N 0.00 0.00 -0.05 2.37 3.08 0.73 -3.33 114.38 117.17 1ss6 h ARG 46 Ca -0.00 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 1ss6 h ARG 46 Cb 0.78 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.83 1ss6 h ARG 46 CO 0.03 0.77 -0.79 0.00 -1.07 0.00 0.00 179.97 178.91 1ss6 h ARG 47 N 0.00 0.40 0.00 0.04 2.47 -0.14 -3.47 114.38 113.68 1ss6 h ARG 47 Ca -0.12 -0.36 0.00 0.00 -1.26 0.00 0.00 59.98 58.24 1ss6 h ARG 47 Cb 1.84 0.08 0.00 0.00 -1.65 0.00 0.00 29.97 30.25 1ss6 h ARG 47 CO 0.11 1.01 0.00 0.41 0.56 0.00 0.00 179.97 182.05 1ss6 n GLY 48 N 0.68 0.87 3.95 0.04 0.00 0.41 -5.09 105.19 106.06 1ss6 n GLY 48 Ca -0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.59 2.43 -0.27 1.61 2.02 0.09 -4.99 118.70 118.99 1ss6 s GLU 49 Ca 0.00 -0.52 -0.14 0.00 0.02 0.00 0.00 54.97 54.33 1ss6 s GLU 49 Cb 0.00 -2.34 -0.04 0.00 0.10 0.00 0.00 34.13 31.85 1ss6 s GLU 49 CO 0.00 -0.92 0.33 0.08 0.02 0.00 0.00 175.26 174.77 1ss6 s VAL 50 N -2.97 5.20 0.28 2.63 1.01 -1.26 -4.13 120.40 121.17 1ss6 s VAL 50 Ca 0.58 0.46 -0.30 0.00 0.00 0.00 0.00 61.98 62.71 1ss6 s VAL 50 Cb -0.10 -3.67 -0.12 0.00 0.00 0.00 0.00 36.38 32.49 1ss6 s VAL 50 CO 0.41 0.17 1.61 -2.65 0.00 0.00 0.00 175.10 174.64 1ss6 n PRO 51 N 5.27 2.70 0.15 2.72 -0.02 -1.26 -4.90 135.00 139.67 1ss6 n PRO 51 Ca -0.10 0.96 0.09 0.00 -2.02 0.00 0.00 63.50 62.43 1ss6 n PRO 51 Cb 0.51 -2.75 0.59 0.00 -0.02 0.00 0.00 33.50 31.83 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 5.06 1.99 0.00 3.55 0.00 -1.96 -0.90 119.26 127.00 1ss6 h ALA 52 Ca -0.46 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1ss6 h ALA 52 Cb 1.22 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 1ss6 h ALA 52 CO 0.82 -0.02 -0.09 0.93 0.00 0.00 0.00 179.25 180.88 1ss6 h GLU 53 N 0.15 0.00 0.06 0.00 4.39 -1.97 0.48 114.58 117.69 1ss6 h GLU 53 Ca 0.08 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.49 1ss6 h GLU 53 Cb 0.14 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 1ss6 h GLU 53 CO -0.01 0.09 -1.53 -0.07 -1.16 0.00 0.00 179.01 176.33 1ss6 h LEU 54 N 0.00 0.19 -0.36 1.33 3.38 -1.54 -3.10 115.31 115.21 1ss6 h LEU 54 Ca -0.00 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1ss6 h LEU 54 Cb 0.21 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1ss6 h LEU 54 CO 0.01 1.25 0.00 -1.14 0.09 0.00 0.00 178.44 178.66 1ss6 n ARG 55 N -3.30 0.22 -0.04 1.13 0.00 -0.70 -0.67 116.66 113.30 1ss6 n ARG 55 Ca -0.15 0.32 0.07 0.00 -0.00 0.00 0.00 57.85 58.09 1ss6 n ARG 55 Cb 1.03 -1.83 0.35 0.00 0.00 0.00 0.00 32.46 32.01 1ss6 n ARG 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1ss6 n ARG 56 N -2.22 1.26 -0.02 -0.14 5.12 0.16 -4.00 116.66 116.82 1ss6 n ARG 56 Ca 0.04 -0.40 -0.06 0.00 -1.93 0.00 0.00 57.85 55.50 1ss6 n ARG 56 Cb 0.32 -1.25 -0.02 0.00 -1.16 0.00 0.00 32.46 30.35 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 -0.32 1.23 -4.79 0.55 7.94 0.16 -5.00 117.00 116.76 1ss6 n LEU 57 Ca 0.11 0.19 -0.38 0.00 -1.11 0.00 0.00 56.01 54.82 1ss6 n LEU 57 Cb 0.14 -0.44 -0.06 0.00 0.53 0.00 0.00 43.42 43.59 1ss6 n LEU 57 CO 0.09 -0.33 0.23 0.00 -1.11 0.00 0.00 177.39 176.26 1ss6 s ALA 58 N -2.30 3.56 -0.90 1.96 0.00 -0.37 -4.97 121.76 118.74 1ss6 s ALA 58 Ca -0.12 -0.06 -0.07 0.00 0.00 0.00 0.00 51.96 51.71 1ss6 s ALA 58 Cb 0.03 -2.62 -0.11 0.00 0.00 0.00 0.00 23.12 20.42 1ss6 s ALA 58 CO 0.17 0.28 2.63 0.72 0.00 0.00 0.00 175.76 179.56 1ss6 n HIS 59 N 2.35 1.34 -3.12 0.00 8.25 -1.26 -4.41 115.22 118.37 1ss6 n HIS 59 Ca -0.10 -2.12 -0.14 0.00 -0.26 0.00 0.00 57.72 55.10 1ss6 n HIS 59 Cb 0.51 -1.85 0.06 0.00 1.12 0.00 0.00 29.99 29.83 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 3.38 -0.13 0.00 -1.41 0.00 -1.26 -4.44 105.19 101.33 1ss6 n GLY 60 Ca 0.53 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 -1.26 3.80 3.26 -0.02 0.00 -1.10 -4.88 105.19 104.99 1ss6 n GLY 61 Ca -0.14 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 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 2.53 -3.39 1.61 7.27 -1.26 -4.86 117.38 119.28 1ss6 n GLN 62 Ca 0.00 -2.71 -0.44 0.00 0.07 0.00 0.00 57.00 53.92 1ss6 n GLN 62 Cb 0.00 -3.39 -0.07 0.00 2.41 0.00 0.00 30.24 29.19 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 5.31 5.08 0.02 1.69 0.11 -1.26 -1.05 120.40 130.30 1ss6 s VAL 63 Ca 0.55 -1.27 0.07 0.00 -2.93 0.00 0.00 61.98 58.40 1ss6 s VAL 63 Cb 0.08 -4.12 -0.03 0.00 -1.53 0.00 0.00 36.38 30.77 1ss6 s VAL 63 CO 0.05 -0.67 -0.21 0.21 -3.33 0.00 0.00 175.10 171.14 1ss6 s ASN 64 N 2.87 3.56 0.05 3.54 3.04 -0.78 -4.98 114.94 122.25 1ss6 s ASN 64 Ca 0.04 -0.45 0.04 0.00 0.04 0.00 0.00 52.86 52.53 1ss6 s ASN 64 Cb -0.26 -0.51 -0.04 0.00 -1.54 0.00 0.00 41.25 38.90 1ss6 s ASN 64 CO 0.05 0.27 -0.04 -1.48 -3.04 0.00 0.00 177.10 172.86 1ss6 s LEU 65 N -1.21 3.28 -0.04 3.21 2.34 -1.26 0.17 118.68 125.17 1ss6 s LEU 65 Ca 0.13 -0.18 0.06 0.00 0.06 0.00 0.00 54.13 54.20 1ss6 s LEU 65 Cb -0.10 -1.97 -0.02 0.00 -0.56 0.00 0.00 46.19 43.54 1ss6 s LEU 65 CO 0.03 0.23 -0.22 -1.81 -1.06 0.00 0.00 176.35 173.52 1ss6 s ASP 66 N -1.86 3.38 -0.27 1.48 1.11 -0.30 -4.87 116.67 115.34 1ss6 s ASP 66 Ca 0.21 -0.39 -0.14 0.00 0.18 0.00 0.00 52.55 52.40 1ss6 s ASP 66 Cb -0.11 -0.63 -0.04 0.00 1.07 0.00 0.00 42.92 43.21 1ss6 s ASP 66 CO 0.12 0.31 0.35 -0.04 1.18 0.00 0.00 175.17 177.10 1ss6 s MET 67 N -0.53 4.01 -0.10 8.23 -1.94 -1.26 0.49 119.30 128.20 1ss6 s MET 67 Ca 0.07 0.01 -0.03 0.00 -1.71 0.00 0.00 55.69 54.03 1ss6 s MET 67 Cb -0.11 -3.65 -0.03 0.00 2.01 0.00 0.00 34.83 33.04 1ss6 s MET 67 CO 0.01 -0.26 0.01 -1.21 -0.01 0.00 0.00 175.02 173.55 1ss6 s GLU 68 N 2.02 3.16 -0.31 2.03 2.02 0.15 -4.96 118.70 122.81 1ss6 s GLU 68 Ca 0.14 -0.40 -0.10 0.00 0.02 0.00 0.00 54.97 54.64 1ss6 s GLU 68 Cb -0.16 -2.87 -0.01 0.00 0.10 0.00 0.00 34.13 31.20 1ss6 s GLU 68 CO 0.10 0.63 0.15 0.34 0.02 0.00 0.00 175.26 176.50 1ss6 s ASP 69 N -0.66 5.55 -0.14 -0.19 2.15 -1.26 0.17 116.67 122.29 1ss6 s ASP 69 Ca 0.11 -0.51 0.22 0.00 0.43 0.00 0.00 52.55 52.81 1ss6 s ASP 69 Cb -0.12 -2.00 0.46 0.00 -0.30 0.00 0.00 42.92 40.96 1ss6 s ASP 69 CO 0.02 -0.19 1.15 1.41 -0.17 0.00 0.00 175.17 177.39 1ss6 n HIS 70 N 4.98 0.70 -2.19 -5.34 8.25 0.28 -4.71 115.22 117.19 1ss6 n HIS 70 Ca -0.14 -1.36 -0.41 0.00 -0.26 0.00 0.00 57.72 55.56 1ss6 n HIS 70 Cb 0.49 -0.20 -0.03 0.00 1.12 0.00 0.00 29.99 31.37 1ss6 n HIS 70 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1ss6 s ARG 71 N -2.03 4.40 0.00 -0.41 0.52 -0.59 -1.54 118.95 119.31 1ss6 s ARG 71 Ca 0.32 2.11 0.00 0.00 -0.52 0.00 0.00 55.73 57.65 1ss6 s ARG 71 Cb 0.36 -3.13 0.00 0.00 0.52 0.00 0.00 34.95 32.70 1ss6 s ARG 71 CO -0.10 -0.16 0.00 -3.47 0.02 0.00 0.00 175.30 171.59 1ss6 n ASP 72 N 1.53 0.00 0.08 0.23 2.03 -1.26 -4.75 116.55 114.41 1ss6 n ASP 72 Ca 0.02 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.32 1ss6 n ASP 72 Cb 0.42 -0.71 -0.05 0.00 -0.72 0.00 0.00 41.12 40.06 1ss6 n ASP 72 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1ss6 h GLU 73 N 1.76 0.00 -1.61 -0.67 4.81 -1.63 -3.48 114.58 113.76 1ss6 h GLU 73 Ca 0.00 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 1ss6 h GLU 73 Cb 0.00 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 1ss6 h GLU 73 CO 0.00 0.60 -0.51 -0.25 -0.73 0.00 0.00 179.01 178.12 1ss6 n ASP 74 N -3.18 -3.62 -4.67 1.04 9.92 -1.22 -4.85 116.55 109.98 1ss6 n ASP 74 Ca -0.02 0.74 -0.44 0.00 -0.53 0.00 0.00 54.79 54.54 1ss6 n ASP 74 Cb 0.84 -1.97 -0.03 0.00 -0.64 0.00 0.00 41.12 39.31 1ss6 n ASP 74 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1ss6 n PHE 75 N -2.55 2.47 0.00 1.24 7.35 -1.26 -4.80 117.46 119.91 1ss6 n PHE 75 Ca -0.02 -0.28 0.00 0.00 -0.76 0.00 0.00 57.45 56.39 1ss6 n PHE 75 Cb 0.26 -2.77 0.00 0.00 0.35 0.00 0.00 39.48 37.32 1ss6 n PHE 75 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1ss6 n VAL 76 N 5.44 0.00 0.17 -2.13 0.31 -1.26 -5.02 118.33 115.84 1ss6 n VAL 76 Ca 0.21 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.46 1ss6 n VAL 76 Cb 0.38 -0.52 -0.03 0.00 -0.91 0.00 0.00 33.84 32.76 1ss6 n VAL 76 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1ss6 h LYS 77 N 0.00 -0.46 0.00 5.55 1.57 -1.86 -3.10 116.57 118.27 1ss6 h LYS 77 Ca 0.00 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1ss6 h LYS 77 Cb 0.23 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1ss6 h LYS 77 CO 0.00 -0.31 0.04 -2.30 -0.57 0.00 0.00 179.45 176.31 1ss6 n PRO 78 N -4.35 0.00 -0.03 3.15 -0.02 -1.26 -0.73 135.00 131.77 1ss6 n PRO 78 Ca -0.06 0.42 -0.13 0.00 -2.02 0.00 0.00 63.50 61.71 1ss6 n PRO 78 Cb 0.19 -1.54 -0.11 0.00 -0.02 0.00 0.00 33.50 32.03 1ss6 n PRO 78 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1ss6 h LYS 79 N 0.00 -0.02 0.00 -0.52 1.57 -1.94 -3.46 116.57 112.21 1ss6 h LYS 79 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ss6 h LYS 79 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1ss6 h LYS 79 CO 0.00 0.62 0.00 0.41 -0.57 0.00 0.00 179.45 179.91 1ss6 n GLY 80 N 0.69 0.00 3.23 3.86 0.00 -0.75 -5.15 105.19 107.07 1ss6 n GLY 80 Ca -0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 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 0.00 0.45 -2.52 4.61 0.00 0.10 -5.06 120.51 118.09 1ss6 n ALA 81 Ca 0.00 -2.01 -0.25 0.00 0.00 0.00 0.00 53.44 51.17 1ss6 n ALA 81 Cb 0.00 1.20 -0.09 0.00 0.00 0.00 0.00 19.45 20.57 1ss6 n ALA 81 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1ss6 s PHE 82 N -2.80 2.56 -0.10 0.00 0.08 -1.26 -4.52 117.98 111.93 1ss6 s PHE 82 Ca 0.08 -0.53 0.14 0.00 0.12 0.00 0.00 56.93 56.74 1ss6 s PHE 82 Cb 0.00 -1.70 -0.04 0.00 -0.57 0.00 0.00 43.02 40.72 1ss6 s PHE 82 CO 0.06 0.38 1.25 0.87 -0.10 0.00 0.00 175.22 177.68 1ss6 h LYS 83 N 1.68 0.00 0.00 0.44 1.57 -2.00 -3.45 116.57 114.81 1ss6 h LYS 83 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1ss6 h LYS 83 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1ss6 h LYS 83 CO 0.71 0.53 0.00 0.00 -0.57 0.00 0.00 179.45 180.12 1ss6 n ALA 84 N -2.29 0.00 -1.63 3.86 0.00 -1.26 -4.76 120.51 114.42 1ss6 n ALA 84 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1ss6 n ALA 84 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.25 1ss6 n ALA 84 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ss6 n PHE 85 N 0.00 -2.63 -2.92 0.00 7.35 -1.26 -4.89 117.46 113.11 1ss6 n PHE 85 Ca 0.00 1.57 -0.07 0.00 -0.76 0.00 0.00 57.45 58.19 1ss6 n PHE 85 Cb 0.00 -2.98 0.01 0.00 0.35 0.00 0.00 39.48 36.86 1ss6 n PHE 85 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1ss6 n THR 86 N 1.00 -9.43 0.00 -2.13 -2.24 -1.26 -4.97 114.28 95.25 1ss6 n THR 86 Ca 0.00 1.16 0.00 0.00 -2.27 0.00 0.00 64.05 62.94 1ss6 n THR 86 Cb 0.00 -6.12 0.00 0.00 -2.10 0.00 0.00 70.33 62.11 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 0.37 -0.58 3.65 3.38 0.00 -1.26 -5.11 105.19 105.64 1ss6 n GLY 87 Ca 0.03 -0.43 -0.53 0.00 0.00 0.00 0.00 46.02 45.09 1ss6 n GLY 87 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ss6 n GLU 88 N 0.00 1.32 0.00 1.61 0.28 -1.26 -2.13 120.64 120.46 1ss6 n GLU 88 Ca 0.00 0.48 0.00 0.00 -0.16 0.00 0.00 57.16 57.48 1ss6 n GLU 88 Cb 0.00 -2.17 0.00 0.00 1.43 0.00 0.00 31.44 30.70 1ss6 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ss6 n GLY 89 N 3.37 2.30 3.92 -1.84 0.00 -1.26 -5.00 105.19 106.67 1ss6 n GLY 89 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 1ss6 n GLY 89 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ss6 s GLN 90 N -0.23 3.52 0.01 1.61 -0.21 -0.91 -4.96 119.66 118.49 1ss6 s GLN 90 Ca 0.00 -0.30 -0.21 0.00 0.02 0.00 0.00 55.36 54.87 1ss6 s GLN 90 Cb 0.00 -2.91 -0.19 0.00 1.00 0.00 0.00 33.01 30.90 1ss6 s GLN 90 CO 0.00 0.50 1.19 -0.22 -2.12 0.00 0.00 175.29 174.64 1ss6 h LYS 91 N 2.65 0.34 0.00 2.91 3.64 -1.84 -3.46 116.57 120.80 1ss6 h LYS 91 Ca -0.46 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 58.65 1ss6 h LYS 91 Cb 1.17 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1ss6 h LYS 91 CO 0.72 0.91 0.00 -0.11 -2.27 0.00 0.00 179.45 178.70 1ss6 n LEU 92 N -4.43 0.59 0.00 5.20 7.94 -1.26 -1.73 117.00 123.31 1ss6 n LEU 92 Ca -0.08 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.82 1ss6 n LEU 92 Cb 0.50 -1.23 0.00 0.00 0.53 0.00 0.00 43.42 43.22 1ss6 n LEU 92 CO 0.42 -0.42 0.00 0.61 -1.11 0.00 0.00 177.39 176.88 1ss6 n GLY 93 N -1.42 2.51 0.08 -3.96 0.00 -1.26 -4.86 105.19 96.29 1ss6 n GLY 93 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1ss6 n GLY 93 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1ss6 h SER 94 N 0.00 0.00 -3.12 1.61 0.02 -1.72 -3.43 113.55 106.90 1ss6 h SER 94 Ca 0.00 -0.62 -0.76 0.00 -0.84 0.00 0.00 61.79 59.57 1ss6 h SER 94 Cb 0.00 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 62.30 1ss6 h SER 94 CO 0.00 1.16 -0.18 -0.89 -1.14 0.00 0.00 176.83 175.78 1ss6 s THR 95 N -2.23 5.21 -0.36 -2.27 2.01 -0.77 -5.03 115.64 112.20 1ss6 s THR 95 Ca -0.22 -1.53 -0.21 0.00 0.31 0.00 0.00 61.69 60.04 1ss6 s THR 95 Cb 0.02 -4.36 0.01 0.00 0.01 0.00 0.00 72.50 68.18 1ss6 s THR 95 CO 0.55 -0.89 0.69 0.00 -0.69 0.00 0.00 174.62 174.28 1ss6 s ALA 96 N 1.58 3.44 -0.24 7.40 0.00 -1.26 -4.68 121.76 128.00 1ss6 s ALA 96 Ca 0.04 -0.79 -0.06 0.00 0.00 0.00 0.00 51.96 51.15 1ss6 s ALA 96 Cb -0.29 -3.25 -0.23 0.00 0.00 0.00 0.00 23.12 19.36 1ss6 s ALA 96 CO 0.02 -1.40 3.39 -0.35 0.00 0.00 0.00 175.76 177.42 1ss6 n PRO 97 N 6.19 2.15 0.00 0.00 -0.04 -1.26 -4.88 135.00 137.16 1ss6 n PRO 97 Ca 0.00 -1.13 0.00 0.00 -0.04 0.00 0.00 63.50 62.33 1ss6 n PRO 97 Cb 0.48 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 1ss6 n PRO 97 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1ss6 n GLN 98 N 2.70 0.00 -0.25 0.54 6.02 -1.26 -0.34 117.38 124.78 1ss6 n GLN 98 Ca 0.46 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 57.46 1ss6 n GLN 98 Cb 0.77 0.00 0.01 0.00 1.02 0.00 0.00 30.24 32.04 1ss6 n GLN 98 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1ss6 n VAL 99 N 0.00 0.15 0.02 5.09 0.24 -1.26 -4.91 118.33 117.66 1ss6 n VAL 99 Ca 0.00 -0.18 -0.01 0.00 -2.04 0.00 0.00 64.34 62.12 1ss6 n VAL 99 Cb 0.00 0.66 -0.00 0.00 -1.47 0.00 0.00 33.84 33.02 1ss6 n VAL 99 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1ss6 h LEU 100 N 0.00 -0.04 0.00 1.34 3.38 -1.09 -3.44 115.31 115.46 1ss6 h LEU 100 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1ss6 h LEU 100 Cb 1.18 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1ss6 h LEU 100 CO 0.00 -0.02 0.00 -1.20 0.09 0.00 0.00 178.44 177.31 1ss6 n SER 101 N -2.20 0.00 0.00 -0.43 7.64 -1.26 -5.10 113.62 112.27 1ss6 n SER 101 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1ss6 n SER 101 Cb 0.02 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1ss6 n SER 101 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44