#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ss6 h SER 2 N 0.00 0.87 0.00 1.61 0.02 -2.03 -3.47 113.55 110.55 1ss6 h SER 2 Ca 0.00 -0.87 0.00 0.00 -0.84 0.00 0.00 61.79 60.08 1ss6 h SER 2 Cb 0.00 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.26 1ss6 h SER 2 CO 0.00 1.66 0.00 1.21 -1.14 0.00 0.00 176.83 178.56 1ss6 n GLU 3 N -3.77 0.00 -2.93 3.45 4.07 -1.26 -3.76 120.64 116.44 1ss6 n GLU 3 Ca -0.15 0.00 -0.11 0.00 -0.06 0.00 0.00 57.16 56.84 1ss6 n GLU 3 Cb 1.04 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 32.40 1ss6 n GLU 3 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1ss6 n LYS 4 N 0.00 0.47 0.00 5.31 3.00 -1.26 -5.00 118.16 120.68 1ss6 n LYS 4 Ca 0.00 -2.34 0.00 0.00 -0.00 0.00 0.00 58.31 55.97 1ss6 n LYS 4 Cb 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 35.03 33.52 1ss6 n LYS 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1ss6 n ARG 5 N 2.79 0.00 -3.58 1.64 1.74 -1.25 -5.16 116.66 112.85 1ss6 n ARG 5 Ca 0.21 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.23 1ss6 n ARG 5 Cb 0.54 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.96 1ss6 n ARG 5 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1ss6 s GLN 6 N -0.54 0.40 -0.83 5.56 -2.07 -1.26 -5.09 119.66 115.83 1ss6 s GLN 6 Ca 0.00 -0.13 -0.21 0.00 -1.82 0.00 0.00 55.36 53.21 1ss6 s GLN 6 Cb 0.00 0.19 0.10 0.00 -1.09 0.00 0.00 33.01 32.20 1ss6 s GLN 6 CO 0.00 -0.17 1.10 -1.01 -1.32 0.00 0.00 175.29 173.89 1ss6 s HIS 7 N -2.41 2.87 -0.52 9.60 3.76 -1.26 -4.94 115.29 122.39 1ss6 s HIS 7 Ca 0.08 -0.99 -0.41 0.00 -0.15 0.00 0.00 55.06 53.59 1ss6 s HIS 7 Cb -0.01 -4.33 -0.18 0.00 1.11 0.00 0.00 32.58 29.16 1ss6 s HIS 7 CO -0.05 -1.61 2.09 0.43 -0.85 0.00 0.00 174.74 174.75 1ss6 n SER 8 N 7.28 0.68 -3.94 1.40 7.64 -1.26 -2.99 113.62 122.42 1ss6 n SER 8 Ca 0.14 0.61 -0.42 0.00 1.01 0.00 0.00 58.87 60.20 1ss6 n SER 8 Cb 0.48 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 1ss6 n SER 8 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ss6 n SER 9 N 7.39 4.22 -0.44 6.43 2.88 -1.26 -4.29 113.62 128.55 1ss6 n SER 9 Ca 0.53 -2.88 0.07 0.00 -1.33 0.00 0.00 58.87 55.27 1ss6 n SER 9 Cb -0.03 -1.67 0.18 0.00 -0.75 0.00 0.00 64.21 61.94 1ss6 n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ss6 n GLN 10 N 6.44 1.67 -2.83 -1.46 6.02 -1.26 -5.03 117.38 120.92 1ss6 n GLN 10 Ca 0.50 -2.86 -0.02 0.00 -0.01 0.00 0.00 57.00 54.61 1ss6 n GLN 10 Cb 0.40 -1.62 0.00 0.00 1.02 0.00 0.00 30.24 30.05 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 -1.19 -7.75 -4.59 1.08 8.00 -1.26 -5.02 116.55 105.81 1ss6 n ASP 11 Ca 0.19 1.13 -0.27 0.00 0.71 0.00 0.00 54.79 56.56 1ss6 n ASP 11 Cb 0.73 -4.69 -0.10 0.00 -0.02 0.00 0.00 41.12 37.04 1ss6 n ASP 11 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1ss6 s VAL 12 N -1.66 2.20 -0.16 2.53 -7.23 -0.35 -4.97 120.40 110.76 1ss6 s VAL 12 Ca 0.04 -2.07 -0.06 0.00 -1.81 0.00 0.00 61.98 58.08 1ss6 s VAL 12 Cb -0.01 -2.82 -0.04 0.00 0.56 0.00 0.00 36.38 34.07 1ss6 s VAL 12 CO 0.67 -0.11 0.05 -1.00 -0.31 0.00 0.00 175.10 174.40 1ss6 s HIS 13 N -2.64 3.26 -0.36 2.82 3.76 -1.26 -1.90 115.29 118.97 1ss6 s HIS 13 Ca 0.34 0.11 -0.11 0.00 -0.15 0.00 0.00 55.06 55.25 1ss6 s HIS 13 Cb 0.05 -2.01 0.01 0.00 1.11 0.00 0.00 32.58 31.75 1ss6 s HIS 13 CO 0.18 0.25 0.21 0.14 -0.85 0.00 0.00 174.74 174.67 1ss6 s VAL 14 N 0.03 4.74 0.01 -0.90 -7.23 0.31 -4.92 120.40 112.42 1ss6 s VAL 14 Ca 0.05 -0.67 -0.30 0.00 -1.81 0.00 0.00 61.98 59.25 1ss6 s VAL 14 Cb -0.12 -3.57 -0.03 0.00 0.56 0.00 0.00 36.38 33.21 1ss6 s VAL 14 CO 0.01 -0.15 1.04 0.54 -0.31 0.00 0.00 175.10 176.23 1ss6 s VAL 15 N 1.60 4.66 -0.28 1.32 0.11 -1.26 -1.48 120.40 125.07 1ss6 s VAL 15 Ca 0.03 1.91 -0.07 0.00 -2.93 0.00 0.00 61.98 60.93 1ss6 s VAL 15 Cb -0.18 -4.22 -0.00 0.00 -1.53 0.00 0.00 36.38 30.44 1ss6 s VAL 15 CO 0.07 0.14 0.07 -0.22 -3.33 0.00 0.00 175.10 171.82 1ss6 s LEU 16 N 1.11 3.65 -0.10 2.54 0.20 0.22 -1.67 118.68 124.64 1ss6 s LEU 16 Ca 0.53 -0.56 -0.04 0.00 0.69 0.00 0.00 54.13 54.76 1ss6 s LEU 16 Cb -0.23 -1.88 -0.04 0.00 -0.43 0.00 0.00 46.19 43.62 1ss6 s LEU 16 CO 0.28 -0.14 0.06 -0.54 -0.29 0.00 0.00 176.35 175.72 1ss6 s LYS 17 N 1.53 3.18 -0.23 1.98 1.02 -0.02 0.13 119.74 127.32 1ss6 s LYS 17 Ca 0.04 -0.29 -0.10 0.00 0.02 0.00 0.00 55.97 55.64 1ss6 s LYS 17 Cb -0.16 -2.97 -0.05 0.00 -0.52 0.00 0.00 37.83 34.13 1ss6 s LYS 17 CO 0.02 0.73 0.15 -1.17 -0.92 0.00 0.00 175.35 174.17 1ss6 s LEU 18 N -0.94 4.11 0.00 3.17 2.96 0.86 -1.78 118.68 127.08 1ss6 s LEU 18 Ca 0.14 0.12 0.00 0.00 -0.22 0.00 0.00 54.13 54.17 1ss6 s LEU 18 Cb -0.12 -2.10 0.00 0.00 0.50 0.00 0.00 46.19 44.48 1ss6 s LEU 18 CO 0.03 0.08 0.02 0.79 -1.32 0.00 0.00 176.35 175.95 1ss6 n TRP 19 N 4.20 0.37 0.14 5.38 7.02 0.13 0.50 117.44 135.18 1ss6 n TRP 19 Ca -0.15 -1.20 0.05 0.00 -1.02 0.00 0.00 57.50 55.17 1ss6 n TRP 19 Cb 0.52 -0.17 0.04 0.00 -2.42 0.00 0.00 31.31 29.28 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 -0.88 -3.37 116.57 116.43 1ss6 h LYS 20 Ca -0.20 0.00 -0.43 0.00 0.09 0.00 0.00 60.65 60.11 1ss6 h LYS 20 Cb 0.62 0.00 -0.07 0.00 0.10 0.00 0.00 32.23 32.88 1ss6 h LYS 20 CO 0.33 0.35 -2.51 0.43 -2.09 0.00 0.00 179.45 175.96 1ss6 n SER 21 N -3.14 1.97 0.00 7.07 7.64 -1.26 -4.98 113.62 120.92 1ss6 n SER 21 Ca 0.01 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.98 1ss6 n SER 21 Cb 0.69 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 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 1.79 3.39 3.02 0.23 0.00 -1.26 -0.01 105.19 112.36 1ss6 n GLY 22 Ca -0.50 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.30 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 0.15 0.17 0.05 1.61 -0.71 0.73 0.20 117.98 120.18 1ss6 s PHE 23 Ca 0.00 -0.37 0.05 0.00 -1.04 0.00 0.00 56.93 55.57 1ss6 s PHE 23 Cb 0.00 -0.13 -0.02 0.00 -1.21 0.00 0.00 43.02 41.66 1ss6 s PHE 23 CO 0.00 -0.22 -0.13 -1.54 -1.34 0.00 0.00 175.22 171.99 1ss6 s SER 24 N -1.39 1.54 0.25 1.98 1.04 -0.73 0.24 113.70 116.63 1ss6 s SER 24 Ca -0.15 -0.49 0.08 0.00 0.48 0.00 0.00 55.95 55.87 1ss6 s SER 24 Cb -0.09 -0.07 -0.04 0.00 0.10 0.00 0.00 66.02 65.92 1ss6 s SER 24 CO -0.00 -0.02 0.10 -0.76 0.98 0.00 0.00 173.24 173.54 1ss6 s LEU 25 N -1.30 3.52 0.14 2.42 1.43 -1.25 -0.84 118.68 122.79 1ss6 s LEU 25 Ca -0.01 -0.42 0.12 0.00 -1.03 0.00 0.00 54.13 52.80 1ss6 s LEU 25 Cb -0.08 -2.06 0.60 0.00 0.03 0.00 0.00 46.19 44.68 1ss6 s LEU 25 CO 0.01 -0.01 1.38 -0.67 0.23 0.00 0.00 176.35 177.30 1ss6 n ASP 26 N -0.93 0.27 -0.00 2.29 2.03 -0.67 -1.03 116.55 118.51 1ss6 n ASP 26 Ca -0.07 0.61 -0.00 0.00 0.52 0.00 0.00 54.79 55.84 1ss6 n ASP 26 Cb 0.58 -0.65 -0.11 0.00 -0.72 0.00 0.00 41.12 40.22 1ss6 n ASP 26 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1ss6 n ASN 27 N -1.84 0.53 0.00 1.67 6.94 -1.26 -4.96 115.26 116.34 1ss6 n ASN 27 Ca 0.00 0.23 0.00 0.00 -0.02 0.00 0.00 54.58 54.80 1ss6 n ASN 27 Cb 0.07 0.66 0.00 0.00 -2.36 0.00 0.00 39.78 38.14 1ss6 n ASN 27 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ss6 n GLY 28 N 1.44 5.77 0.74 4.83 0.00 -0.19 -5.13 105.19 112.64 1ss6 n GLY 28 Ca -0.13 -1.55 -0.05 0.00 0.00 0.00 0.00 46.02 44.28 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 1.36 -2.45 1.61 1.02 -1.26 -4.23 120.64 116.69 1ss6 n GLU 29 Ca 0.00 -0.67 -0.42 0.00 -0.02 0.00 0.00 57.16 56.04 1ss6 n GLU 29 Cb 0.00 0.08 -0.03 0.00 -0.02 0.00 0.00 31.44 31.47 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 4.29 -0.18 -4.62 0.20 -1.26 -4.14 118.68 112.97 1ss6 s LEU 30 Ca 0.06 1.85 -0.00 0.00 0.69 0.00 0.00 54.13 56.72 1ss6 s LEU 30 Cb -0.00 -3.56 0.00 0.00 -0.43 0.00 0.00 46.19 42.20 1ss6 s LEU 30 CO 0.04 -0.58 -0.15 -0.13 -0.29 0.00 0.00 176.35 175.24 1ss6 s ARG 31 N 2.10 3.16 0.56 1.98 0.52 0.14 -4.87 118.95 122.55 1ss6 s ARG 31 Ca 0.56 -0.75 -0.19 0.00 -0.52 0.00 0.00 55.73 54.83 1ss6 s ARG 31 Cb -0.25 -2.68 -0.05 0.00 0.52 0.00 0.00 34.95 32.49 1ss6 s ARG 31 CO 0.23 -0.11 1.12 -1.12 0.02 0.00 0.00 175.30 175.44 1ss6 s SER 32 N 1.12 5.61 0.00 0.23 0.01 -1.26 -0.19 113.70 119.23 1ss6 s SER 32 Ca 0.01 2.14 -0.02 0.00 1.31 0.00 0.00 55.95 59.38 1ss6 s SER 32 Cb -0.14 -2.57 -0.10 0.00 0.21 0.00 0.00 66.02 63.42 1ss6 s SER 32 CO -0.05 -1.29 2.12 -1.22 0.41 0.00 0.00 173.24 173.20 1ss6 n TYR 33 N -1.51 0.00 0.00 2.43 4.01 0.99 -3.14 117.16 119.94 1ss6 n TYR 33 Ca 0.11 -0.92 0.00 0.00 -0.16 0.00 0.00 57.90 56.94 1ss6 n TYR 33 Cb 0.51 -0.84 0.00 0.00 -0.31 0.00 0.00 39.34 38.70 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 2.10 0.00 -1.74 -0.72 6.02 -1.26 -5.07 117.38 116.70 1ss6 n GLN 34 Ca 0.15 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.72 1ss6 n GLN 34 Cb 0.52 -0.34 -0.02 0.00 1.02 0.00 0.00 30.24 31.42 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 -1.81 3.83 0.11 1.08 -0.08 -1.19 -4.89 116.55 113.61 1ss6 n ASP 35 Ca 0.00 1.15 0.10 0.00 -1.51 0.00 0.00 54.79 54.53 1ss6 n ASP 35 Cb 0.00 -1.59 0.46 0.00 2.34 0.00 0.00 41.12 42.33 1ss6 n ASP 35 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1ss6 n PRO 36 N 2.10 0.15 0.04 -0.67 -0.02 -1.26 -2.00 135.00 133.34 1ss6 n PRO 36 Ca 0.08 0.44 -0.02 0.00 -2.02 0.00 0.00 63.50 61.98 1ss6 n PRO 36 Cb 0.37 -1.81 -0.08 0.00 -0.02 0.00 0.00 33.50 31.95 1ss6 n PRO 36 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1ss6 h SER 37 N 0.00 0.00 1.71 2.55 0.02 -1.98 -3.24 113.55 112.61 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 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1ss6 h SER 37 CO 0.00 0.67 0.00 0.78 -1.14 0.00 0.00 176.83 177.14 1ss6 h ASN 38 N 0.00 0.00 -0.98 3.07 2.35 -1.74 -3.30 115.58 114.98 1ss6 h ASN 38 Ca -0.15 0.00 0.15 0.00 -0.55 0.00 0.00 56.30 55.76 1ss6 h ASN 38 Cb 1.64 0.00 -0.09 0.00 0.05 0.00 0.00 38.32 39.92 1ss6 h ASN 38 CO 0.06 0.00 0.61 0.00 -1.65 0.00 0.00 177.43 176.46 1ss6 h ALA 39 N 2.16 1.67 0.52 -0.83 0.00 -1.49 -1.40 119.26 119.89 1ss6 h ALA 39 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1ss6 h ALA 39 Cb 0.85 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1ss6 h ALA 39 CO 0.00 0.03 -0.47 -0.56 0.00 0.00 0.00 179.25 178.25 1ss6 h GLN 40 N 0.83 -0.94 -0.43 0.00 3.07 -1.76 0.37 115.11 116.24 1ss6 h GLN 40 Ca 0.52 0.06 0.05 0.00 0.09 0.00 0.00 58.65 59.37 1ss6 h GLN 40 Cb 0.72 0.21 -0.08 0.00 0.08 0.00 0.00 27.48 28.41 1ss6 h GLN 40 CO -0.29 -0.63 -0.55 0.74 0.09 0.00 0.00 178.83 178.19 1ss6 h PHE 41 N -0.98 -1.69 -0.75 0.06 0.04 -1.71 0.35 116.94 112.26 1ss6 h PHE 41 Ca -0.07 0.08 0.14 0.00 2.80 0.00 0.00 57.97 60.93 1ss6 h PHE 41 Cb 0.83 0.79 -0.10 0.00 2.20 0.00 0.00 35.95 39.68 1ss6 h PHE 41 CO -0.21 -0.49 0.28 -0.07 -0.60 0.00 0.00 178.31 177.22 1ss6 h LEU 42 N -0.38 0.25 -0.04 1.54 3.38 -1.01 0.44 115.31 119.48 1ss6 h LEU 42 Ca 0.08 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1ss6 h LEU 42 Cb 0.59 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1ss6 h LEU 42 CO -0.61 0.09 -0.09 -0.08 0.09 0.00 0.00 178.44 177.84 1ss6 h GLU 43 N 0.42 0.13 -0.27 1.13 4.57 0.44 -0.22 114.58 120.79 1ss6 h GLU 43 Ca 0.41 -0.09 -0.06 0.00 -1.18 0.00 0.00 59.36 58.45 1ss6 h GLU 43 Cb 0.63 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.22 1ss6 h GLU 43 CO -0.41 0.67 -0.05 0.77 -1.18 0.00 0.00 179.01 178.81 1ss6 h SER 44 N -0.40 0.51 0.74 1.04 0.02 0.10 -2.15 113.55 113.40 1ss6 h SER 44 Ca 0.00 -0.35 -0.09 0.00 -0.84 0.00 0.00 61.79 60.51 1ss6 h SER 44 Cb 0.67 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.06 1ss6 h SER 44 CO 0.02 0.74 -0.41 0.40 -1.14 0.00 0.00 176.83 176.44 1ss6 h ILE 45 N 0.27 1.02 0.17 3.27 2.04 -0.21 0.45 117.51 124.51 1ss6 h ILE 45 Ca 0.07 -1.58 0.01 0.00 1.00 0.00 0.00 64.86 64.36 1ss6 h ILE 45 Cb 0.51 1.93 -0.03 0.00 -0.74 0.00 0.00 36.82 38.49 1ss6 h ILE 45 CO 0.02 0.40 -0.26 -0.09 0.00 0.00 0.00 178.15 178.22 1ss6 h ARG 46 N 0.00 -0.49 0.70 2.37 2.43 -0.77 -3.20 114.38 115.42 1ss6 h ARG 46 Ca -0.00 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1ss6 h ARG 46 Cb 0.89 0.11 0.01 0.00 -0.42 0.00 0.00 29.97 30.56 1ss6 h ARG 46 CO 0.05 -0.32 -0.34 0.00 -1.51 0.00 0.00 179.97 177.85 1ss6 h ARG 47 N -0.50 -0.91 0.00 0.20 2.47 -0.88 -3.48 114.38 111.28 1ss6 h ARG 47 Ca 0.02 0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.80 1ss6 h ARG 47 Cb 0.51 0.21 0.00 0.00 -1.65 0.00 0.00 29.97 29.03 1ss6 h ARG 47 CO -0.12 -0.58 0.00 0.41 0.56 0.00 0.00 179.97 180.24 1ss6 n GLY 48 N -1.00 -0.26 3.76 0.04 0.00 0.13 -5.11 105.19 102.75 1ss6 n GLY 48 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 1.76 -0.29 1.61 2.02 0.32 -4.92 118.70 119.20 1ss6 s GLU 49 Ca 0.00 0.77 -0.09 0.00 0.02 0.00 0.00 54.97 55.67 1ss6 s GLU 49 Cb 0.00 -1.87 -0.01 0.00 0.10 0.00 0.00 34.13 32.35 1ss6 s GLU 49 CO 0.00 -1.88 0.12 0.54 0.02 0.00 0.00 175.26 174.06 1ss6 s VAL 50 N -3.04 4.42 0.48 2.63 0.11 -1.26 -3.77 120.40 119.98 1ss6 s VAL 50 Ca 0.62 -0.40 -0.24 0.00 -2.93 0.00 0.00 61.98 59.03 1ss6 s VAL 50 Cb -0.16 -3.21 -0.07 0.00 -1.53 0.00 0.00 36.38 31.41 1ss6 s VAL 50 CO 0.56 0.14 1.40 -2.84 -3.33 0.00 0.00 175.10 171.03 1ss6 s PRO 51 N 1.60 3.53 0.43 1.54 0.02 -1.26 -4.92 135.00 135.94 1ss6 s PRO 51 Ca 0.05 2.36 0.10 0.00 0.02 0.00 0.00 61.00 63.52 1ss6 s PRO 51 Cb -0.17 -2.54 0.95 0.00 0.02 0.00 0.00 34.50 32.77 1ss6 s PRO 51 CO 0.05 -0.92 2.07 0.00 -0.33 0.00 0.00 177.00 177.87 1ss6 h ALA 52 N 2.08 1.80 -0.06 -1.55 0.00 -1.99 -1.81 119.26 117.73 1ss6 h ALA 52 Ca -0.51 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.40 1ss6 h ALA 52 Cb 1.28 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1ss6 h ALA 52 CO 0.60 0.17 0.05 0.93 0.00 0.00 0.00 179.25 181.00 1ss6 h GLU 53 N 0.44 0.00 0.20 0.00 5.08 -1.94 0.47 114.58 118.83 1ss6 h GLU 53 Ca 0.14 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.22 1ss6 h GLU 53 Cb 0.02 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.30 1ss6 h GLU 53 CO -0.03 0.00 -1.23 -0.07 -1.00 0.00 0.00 179.01 176.68 1ss6 h LEU 54 N 0.00 0.66 -0.79 1.33 3.38 -1.71 -2.54 115.31 115.64 1ss6 h LEU 54 Ca 0.03 -0.93 -0.02 0.00 0.09 0.00 0.00 57.88 57.05 1ss6 h LEU 54 Cb 0.13 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1ss6 h LEU 54 CO -0.00 1.59 -0.08 -0.09 0.09 0.00 0.00 178.44 179.95 1ss6 h ARG 55 N -0.09 0.00 -0.27 1.13 9.65 -1.39 -0.26 114.38 123.15 1ss6 h ARG 55 Ca -0.22 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.66 1ss6 h ARG 55 Cb 1.94 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.52 1ss6 h ARG 55 CO 0.21 0.08 0.00 0.54 2.80 0.00 0.00 179.97 183.60 1ss6 n ARG 56 N -3.16 1.63 -0.00 0.20 5.12 0.16 -4.25 116.66 116.36 1ss6 n ARG 56 Ca 0.02 -0.98 -0.04 0.00 -1.93 0.00 0.00 57.85 54.92 1ss6 n ARG 56 Cb 0.44 -1.22 -0.01 0.00 -1.16 0.00 0.00 32.46 30.50 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 0.29 1.31 -4.92 0.55 -0.00 -0.35 -4.99 117.00 108.89 1ss6 n LEU 57 Ca 0.10 0.19 -0.26 0.00 -0.00 0.00 0.00 56.01 56.04 1ss6 n LEU 57 Cb 0.23 -0.45 -0.01 0.00 -0.00 0.00 0.00 43.42 43.19 1ss6 n LEU 57 CO 0.07 -0.50 0.32 0.00 -0.00 0.00 0.00 177.39 177.28 1ss6 s ALA 58 N -2.29 3.53 0.94 1.96 0.00 -0.26 -4.77 121.76 120.87 1ss6 s ALA 58 Ca -0.10 -0.69 -0.10 0.00 0.00 0.00 0.00 51.96 51.07 1ss6 s ALA 58 Cb 0.02 -2.38 0.16 0.00 0.00 0.00 0.00 23.12 20.92 1ss6 s ALA 58 CO 0.15 -0.21 1.12 1.58 0.00 0.00 0.00 175.76 178.40 1ss6 n HIS 59 N -2.05 0.64 0.30 0.00 -0.00 -1.16 -4.54 115.22 108.40 1ss6 n HIS 59 Ca -0.02 0.35 0.00 0.00 0.46 0.00 0.00 57.72 58.52 1ss6 n HIS 59 Cb 0.56 -1.97 0.00 0.00 -0.12 0.00 0.00 29.99 28.45 1ss6 n HIS 59 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1ss6 n GLY 60 N 0.36 1.29 0.00 1.57 0.00 -1.26 -4.54 105.19 102.60 1ss6 n GLY 60 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 1.03 0.85 3.57 -0.02 0.00 -1.26 -4.90 105.19 104.45 1ss6 n GLY 61 Ca 0.00 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 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 4.11 2.17 -0.55 1.61 0.74 -1.26 -4.87 119.66 121.62 1ss6 s GLN 62 Ca 0.00 -0.31 -0.18 0.00 0.05 0.00 0.00 55.36 54.93 1ss6 s GLN 62 Cb 0.00 -5.03 0.10 0.00 1.10 0.00 0.00 33.01 29.18 1ss6 s GLN 62 CO 0.00 -3.98 0.59 0.08 -0.55 0.00 0.00 175.29 171.42 1ss6 s VAL 63 N 12.11 5.01 -0.10 1.34 1.01 -1.26 -1.21 120.40 137.31 1ss6 s VAL 63 Ca 0.76 -1.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 1ss6 s VAL 63 Cb -0.07 -4.37 -0.03 0.00 0.00 0.00 0.00 36.38 31.92 1ss6 s VAL 63 CO 0.06 -0.93 -0.02 0.21 0.00 0.00 0.00 175.10 174.42 1ss6 s ASN 64 N 3.36 4.99 -0.30 3.32 2.47 -0.80 -4.93 114.94 123.05 1ss6 s ASN 64 Ca 0.08 0.04 -0.10 0.00 0.42 0.00 0.00 52.86 53.30 1ss6 s ASN 64 Cb -0.25 -1.48 -0.02 0.00 -1.45 0.00 0.00 41.25 38.05 1ss6 s ASN 64 CO 0.06 0.32 0.15 -0.22 -3.72 0.00 0.00 177.10 173.69 1ss6 s LEU 65 N -0.54 4.00 -0.19 3.21 0.20 -1.26 0.11 118.68 124.21 1ss6 s LEU 65 Ca 0.09 -0.40 -0.07 0.00 0.69 0.00 0.00 54.13 54.43 1ss6 s LEU 65 Cb -0.12 -2.01 -0.04 0.00 -0.43 0.00 0.00 46.19 43.59 1ss6 s LEU 65 CO 0.02 -0.15 0.06 -1.81 -0.29 0.00 0.00 176.35 174.18 1ss6 s ASP 66 N 1.64 5.52 -0.10 3.68 1.11 -0.55 -4.90 116.67 123.07 1ss6 s ASP 66 Ca 0.05 0.02 -0.11 0.00 0.18 0.00 0.00 52.55 52.70 1ss6 s ASP 66 Cb -0.17 -1.95 -0.05 0.00 1.07 0.00 0.00 42.92 41.82 1ss6 s ASP 66 CO 0.07 0.13 0.25 -0.04 1.18 0.00 0.00 175.17 176.76 1ss6 s MET 67 N 0.62 3.78 0.17 8.23 -1.94 -1.26 0.73 119.30 129.63 1ss6 s MET 67 Ca 0.03 0.07 0.09 0.00 -1.71 0.00 0.00 55.69 54.17 1ss6 s MET 67 Cb -0.13 -3.26 -0.04 0.00 2.01 0.00 0.00 34.83 33.41 1ss6 s MET 67 CO 0.01 0.62 -0.19 -1.21 -0.01 0.00 0.00 175.02 174.25 1ss6 s GLU 68 N -0.69 1.32 -0.10 2.03 2.02 0.12 -4.93 118.70 118.48 1ss6 s GLU 68 Ca 0.17 -1.44 0.01 0.00 0.02 0.00 0.00 54.97 53.74 1ss6 s GLU 68 Cb -0.14 -1.42 -0.02 0.00 0.10 0.00 0.00 34.13 32.66 1ss6 s GLU 68 CO 0.06 0.29 -0.14 0.16 0.02 0.00 0.00 175.26 175.66 1ss6 s ASP 69 N -2.70 3.99 0.00 -0.19 -4.77 -1.26 -0.09 116.67 111.65 1ss6 s ASP 69 Ca 0.17 -0.29 0.00 0.00 -3.30 0.00 0.00 52.55 49.13 1ss6 s ASP 69 Cb -0.06 -1.33 0.00 0.00 -1.09 0.00 0.00 42.92 40.44 1ss6 s ASP 69 CO 0.07 0.23 0.00 1.41 0.70 0.00 0.00 175.17 177.58 1ss6 n HIS 70 N 3.09 0.00 0.00 2.11 8.25 0.07 -4.88 115.22 123.86 1ss6 n HIS 70 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1ss6 n HIS 70 Cb 0.53 0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.83 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 -1.99 0.00 0.00 -0.41 1.74 0.18 -2.57 116.66 113.61 1ss6 n ARG 71 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1ss6 n ARG 71 Cb 0.04 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.48 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 4.75 0.00 -0.22 0.55 5.68 -1.26 -0.31 116.55 125.73 1ss6 n ASP 72 Ca 0.00 -1.34 0.09 0.00 -0.50 0.00 0.00 54.79 53.04 1ss6 n ASP 72 Cb 0.00 -0.00 0.46 0.00 -1.14 0.00 0.00 41.12 40.44 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 -0.50 1.29 0.00 0.11 -0.58 -1.06 -4.98 120.64 114.92 1ss6 n GLU 73 Ca 0.00 -0.44 0.00 0.00 -0.42 0.00 0.00 57.16 56.30 1ss6 n GLU 73 Cb 0.00 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 1ss6 n GLU 73 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1ss6 n ASP 74 N -0.33 0.00 -3.67 1.62 8.00 -0.86 -4.39 116.55 116.92 1ss6 n ASP 74 Ca 0.14 0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.51 1ss6 n ASP 74 Cb 0.17 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.14 1ss6 n ASP 74 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1ss6 s PHE 75 N 0.00 -0.41 -0.31 1.24 5.36 -1.26 -4.42 117.98 118.18 1ss6 s PHE 75 Ca 0.00 0.95 0.01 0.00 -0.96 0.00 0.00 56.93 56.93 1ss6 s PHE 75 Cb 0.00 -0.04 0.14 0.00 -0.34 0.00 0.00 43.02 42.78 1ss6 s PHE 75 CO 0.00 -0.34 0.33 0.14 -1.46 0.00 0.00 175.22 173.89 1ss6 s VAL 76 N 2.35 -0.43 0.14 3.12 -7.23 -1.26 -4.99 120.40 112.10 1ss6 s VAL 76 Ca 0.01 -0.56 0.00 0.00 -1.81 0.00 0.00 61.98 59.62 1ss6 s VAL 76 Cb -0.12 -0.92 0.00 0.00 0.56 0.00 0.00 36.38 35.90 1ss6 s VAL 76 CO -0.08 -0.46 0.00 1.17 -0.31 0.00 0.00 175.10 175.42 1ss6 n LYS 77 N 5.09 0.00 0.10 4.82 3.00 -1.26 -4.62 118.16 125.29 1ss6 n LYS 77 Ca 0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.28 1ss6 n LYS 77 Cb 0.47 -0.02 0.14 0.00 0.00 0.00 0.00 35.03 35.63 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 0.19 -0.82 1.64 0.11 -1.91 -3.35 132.00 127.86 1ss6 h PRO 78 Ca 0.00 -0.13 0.19 0.00 0.11 0.00 0.00 66.00 66.17 1ss6 h PRO 78 Cb 0.00 0.02 -0.15 0.00 0.11 0.00 0.00 31.00 30.97 1ss6 h PRO 78 CO 0.00 0.72 -0.13 1.63 -0.21 0.00 0.00 178.00 180.01 1ss6 n LYS 79 N -3.88 -0.07 0.00 1.05 4.76 -1.26 -4.86 118.16 113.90 1ss6 n LYS 79 Ca -0.02 1.26 0.00 0.00 -2.87 0.00 0.00 58.31 56.68 1ss6 n LYS 79 Cb 0.60 -1.93 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 1ss6 n LYS 79 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1ss6 n GLY 80 N -1.48 0.99 7.00 0.72 0.00 -1.26 -4.95 105.19 106.21 1ss6 n GLY 80 Ca 0.15 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.85 0.00 -2.84 4.61 0.00 -1.26 -4.59 120.51 115.58 1ss6 n ALA 81 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1ss6 n ALA 81 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 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 0.00 1.43 0.00 0.00 0.08 -1.26 -4.69 117.98 113.54 1ss6 s PHE 82 Ca 0.00 -0.36 0.00 0.00 0.12 0.00 0.00 56.93 56.69 1ss6 s PHE 82 Cb 0.00 -0.96 0.00 0.00 -0.57 0.00 0.00 43.02 41.49 1ss6 s PHE 82 CO 0.00 -0.11 0.00 1.63 -0.10 0.00 0.00 175.22 176.64 1ss6 n LYS 83 N 3.06 0.00 -2.97 0.44 5.02 -1.26 -3.33 118.16 119.12 1ss6 n LYS 83 Ca -0.17 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 55.91 1ss6 n LYS 83 Cb 0.54 -3.54 0.03 0.00 -0.02 0.00 0.00 35.03 32.04 1ss6 n LYS 83 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ss6 n ALA 84 N 0.81 -0.91 -2.55 7.82 0.00 -1.26 -3.95 120.51 120.48 1ss6 n ALA 84 Ca 0.00 0.27 -0.01 0.00 0.00 0.00 0.00 53.44 53.70 1ss6 n ALA 84 Cb 0.00 -3.69 0.00 0.00 0.00 0.00 0.00 19.45 15.76 1ss6 n ALA 84 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ss6 n PHE 85 N -4.44 -2.17 -0.29 0.00 3.72 -1.21 -3.49 117.46 109.57 1ss6 n PHE 85 Ca -0.11 0.84 0.10 0.00 -0.05 0.00 0.00 57.45 58.23 1ss6 n PHE 85 Cb 0.61 -3.33 0.32 0.00 -0.94 0.00 0.00 39.48 36.14 1ss6 n PHE 85 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1ss6 n THR 86 N -1.25 1.34 -2.97 4.37 -1.04 -1.25 -0.31 114.28 113.16 1ss6 n THR 86 Ca 0.02 -1.00 -0.43 0.00 -2.04 0.00 0.00 64.05 60.60 1ss6 n THR 86 Cb 0.46 0.24 -0.05 0.00 -1.82 0.00 0.00 70.33 69.16 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 -0.92 1.55 -0.47 3.41 0.00 -1.26 -4.48 107.32 105.15 1ss6 s GLY 87 Ca 0.46 -1.68 -0.23 0.00 0.00 0.00 0.00 44.72 43.27 1ss6 s GLY 87 CO 0.26 1.83 0.63 -2.21 0.00 0.00 0.00 173.10 173.61 1ss6 n GLU 88 N 7.01 -2.15 0.00 2.90 4.07 -1.26 -4.82 120.64 126.40 1ss6 n GLU 88 Ca -0.04 1.80 0.00 0.00 -0.06 0.00 0.00 57.16 58.87 1ss6 n GLU 88 Cb 0.46 -4.29 0.00 0.00 -0.06 0.00 0.00 31.44 27.55 1ss6 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ss6 n GLY 89 N -0.38 0.35 2.88 8.31 0.00 -1.26 -5.00 105.19 110.10 1ss6 n GLY 89 Ca 0.03 -2.21 -0.11 0.00 0.00 0.00 0.00 46.02 43.72 1ss6 n GLY 89 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ss6 s GLN 90 N 0.00 0.32 0.00 1.61 2.00 -1.26 -4.63 119.66 117.70 1ss6 s GLN 90 Ca 0.00 0.46 0.00 0.00 -2.00 0.00 0.00 55.36 53.82 1ss6 s GLN 90 Cb 0.00 -0.62 0.00 0.00 0.80 0.00 0.00 33.01 33.19 1ss6 s GLN 90 CO 0.00 -0.65 0.00 1.17 -0.50 0.00 0.00 175.29 175.31 1ss6 n LYS 91 N 5.36 0.00 -3.50 1.67 4.81 0.57 -4.57 118.16 122.49 1ss6 n LYS 91 Ca -0.04 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.16 1ss6 n LYS 91 Cb 0.50 -0.17 0.05 0.00 0.02 0.00 0.00 35.03 35.43 1ss6 n LYS 91 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1ss6 n LEU 92 N 0.00 -4.01 0.00 3.14 4.77 -1.26 -2.42 117.00 117.22 1ss6 n LEU 92 Ca 0.00 -0.88 0.00 0.00 -0.03 0.00 0.00 56.01 55.10 1ss6 n LEU 92 Cb 0.00 -2.74 0.00 0.00 -2.33 0.00 0.00 43.42 38.35 1ss6 n LEU 92 CO 0.00 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1ss6 n GLY 93 N -1.49 2.59 4.00 -0.72 0.00 -1.26 -4.44 105.19 103.87 1ss6 n GLY 93 Ca -0.09 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 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 0.75 -0.56 -3.05 1.61 3.41 -1.01 -4.82 113.62 109.96 1ss6 n SER 94 Ca 0.00 -1.07 -0.33 0.00 -0.26 0.00 0.00 58.87 57.21 1ss6 n SER 94 Cb 0.00 -2.76 -0.06 0.00 -0.26 0.00 0.00 64.21 61.13 1ss6 n SER 94 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ss6 n THR 95 N -4.44 4.11 -3.85 6.66 -2.24 -1.26 -4.75 114.28 108.50 1ss6 n THR 95 Ca -0.29 -2.48 -0.33 0.00 -2.27 0.00 0.00 64.05 58.68 1ss6 n THR 95 Cb 0.68 -2.44 -0.12 0.00 -2.10 0.00 0.00 70.33 66.34 1ss6 n THR 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ss6 s ALA 96 N 1.66 3.40 -1.08 6.98 0.00 -1.26 -4.93 121.76 126.53 1ss6 s ALA 96 Ca 0.68 -3.23 0.12 0.00 0.00 0.00 0.00 51.96 49.54 1ss6 s ALA 96 Cb 0.21 -2.36 0.55 0.00 0.00 0.00 0.00 23.12 21.51 1ss6 s ALA 96 CO -0.05 -2.04 1.38 -0.35 0.00 0.00 0.00 175.76 174.70 1ss6 n PRO 97 N 3.33 0.03 -4.43 0.00 -0.04 -1.26 -4.73 135.00 127.90 1ss6 n PRO 97 Ca 0.06 0.27 -0.21 0.00 -0.04 0.00 0.00 63.50 63.58 1ss6 n PRO 97 Cb 0.35 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.21 1ss6 n PRO 97 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 1ss6 s GLN 98 N -2.92 1.56 -0.17 0.54 0.00 -1.26 -5.07 119.66 112.33 1ss6 s GLN 98 Ca 0.07 -1.82 0.04 0.00 -0.00 0.00 0.00 55.36 53.65 1ss6 s GLN 98 Cb 0.08 -1.02 -0.22 0.00 0.00 0.00 0.00 33.01 31.85 1ss6 s GLN 98 CO 0.22 -0.05 0.15 0.28 0.00 0.00 0.00 175.29 175.89 1ss6 n VAL 99 N -0.60 1.58 -4.05 3.63 0.31 -1.26 -4.83 118.33 113.11 1ss6 n VAL 99 Ca -0.05 -0.69 -0.22 0.00 -0.01 0.00 0.00 64.34 63.38 1ss6 n VAL 99 Cb 0.64 -1.27 -0.04 0.00 -0.91 0.00 0.00 33.84 32.26 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 -6.42 3.82 -0.58 7.52 1.43 -1.26 -4.52 118.68 118.67 1ss6 s LEU 100 Ca -0.22 -0.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 1ss6 s LEU 100 Cb 0.08 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.92 1ss6 s LEU 100 CO 0.73 -0.09 0.00 -1.20 0.23 0.00 0.00 176.35 176.02 1ss6 n SER 101 N -1.23 -4.48 0.00 2.29 7.64 -1.26 -5.10 113.62 111.47 1ss6 n SER 101 Ca -0.07 0.14 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1ss6 n SER 101 Cb 0.58 -2.46 0.00 0.00 -1.01 0.00 0.00 64.21 61.32 1ss6 n SER 101 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44