#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 -4.70 -2.25 1.61 2.88 -1.26 -5.02 113.62 104.88 1ss6 n SER 2 Ca 0.00 -0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.31 1ss6 n SER 2 Cb 0.00 -3.49 0.00 0.00 -0.75 0.00 0.00 64.21 59.97 1ss6 n SER 2 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1ss6 n GLU 3 N -3.08 0.92 -2.72 -1.46 -0.00 -1.26 -5.05 120.64 107.98 1ss6 n GLU 3 Ca -0.06 0.00 -0.05 0.00 -0.00 0.00 0.00 57.16 57.05 1ss6 n GLU 3 Cb 0.57 0.00 0.04 0.00 -0.00 0.00 0.00 31.44 32.05 1ss6 n GLU 3 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1ss6 n LYS 4 N -0.40 1.67 0.02 3.44 2.85 -1.26 -4.91 118.16 119.57 1ss6 n LYS 4 Ca 0.00 -3.48 0.00 0.00 -1.05 0.00 0.00 58.31 53.78 1ss6 n LYS 4 Cb 0.00 -1.53 0.00 0.00 -0.65 0.00 0.00 35.03 32.85 1ss6 n LYS 4 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1ss6 n ARG 5 N -0.41 0.00 -3.52 -1.58 3.00 -1.26 -5.08 116.66 107.81 1ss6 n ARG 5 Ca 0.11 0.00 -0.20 0.00 -0.00 0.00 0.00 57.85 57.76 1ss6 n ARG 5 Cb 0.81 -0.04 -0.14 0.00 0.00 0.00 0.00 32.46 33.10 1ss6 n ARG 5 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 1ss6 s GLN 6 N -1.17 0.16 -0.12 -0.14 -0.21 -1.26 -5.03 119.66 111.90 1ss6 s GLN 6 Ca 0.00 0.16 0.01 0.00 0.02 0.00 0.00 55.36 55.55 1ss6 s GLN 6 Cb 0.00 -1.29 0.17 0.00 1.00 0.00 0.00 33.01 32.89 1ss6 s GLN 6 CO 0.00 -0.65 1.32 0.72 -2.12 0.00 0.00 175.29 174.57 1ss6 n HIS 7 N 5.31 0.81 -0.68 0.91 8.25 -1.26 -4.44 115.22 124.13 1ss6 n HIS 7 Ca -0.06 -0.93 -0.13 0.00 -0.26 0.00 0.00 57.72 56.35 1ss6 n HIS 7 Cb 0.49 -0.47 0.04 0.00 1.12 0.00 0.00 29.99 31.17 1ss6 n HIS 7 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1ss6 n SER 8 N 0.16 5.81 -2.72 0.41 7.64 -1.26 -3.92 113.62 119.73 1ss6 n SER 8 Ca 0.16 -2.90 -0.03 0.00 1.01 0.00 0.00 58.87 57.11 1ss6 n SER 8 Cb 0.78 -1.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.08 1ss6 n SER 8 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ss6 n SER 9 N 0.44 -0.49 0.04 6.43 7.64 -0.94 -4.26 113.62 122.48 1ss6 n SER 9 Ca 0.25 -2.23 -0.20 0.00 1.01 0.00 0.00 58.87 57.70 1ss6 n SER 9 Cb 0.63 0.33 -0.12 0.00 -1.01 0.00 0.00 64.21 64.03 1ss6 n SER 9 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1ss6 h GLN 10 N 1.71 0.45 -5.64 1.43 4.20 -1.12 -3.46 115.11 112.68 1ss6 h GLN 10 Ca -0.32 -0.58 -0.02 0.00 0.06 0.00 0.00 58.65 57.80 1ss6 h GLN 10 Cb 1.28 0.19 0.00 0.00 0.30 0.00 0.00 27.48 29.25 1ss6 h GLN 10 CO -0.02 1.22 -0.97 -0.25 -0.67 0.00 0.00 178.83 178.13 1ss6 n ASP 11 N -4.07 -7.42 -4.61 1.46 9.92 -1.25 -4.76 116.55 105.83 1ss6 n ASP 11 Ca -0.12 0.95 -0.43 0.00 -0.53 0.00 0.00 54.79 54.66 1ss6 n ASP 11 Cb 0.80 -3.89 -0.03 0.00 -0.64 0.00 0.00 41.12 37.36 1ss6 n ASP 11 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 1ss6 s VAL 12 N -1.48 3.40 -0.50 2.53 -7.23 -0.04 -4.93 120.40 112.15 1ss6 s VAL 12 Ca 0.04 0.43 -0.15 0.00 -1.81 0.00 0.00 61.98 60.49 1ss6 s VAL 12 Cb -0.01 -3.48 0.11 0.00 0.56 0.00 0.00 36.38 33.56 1ss6 s VAL 12 CO 0.52 -0.27 0.44 -1.00 -0.31 0.00 0.00 175.10 174.48 1ss6 s HIS 13 N 6.59 3.27 -0.40 2.82 3.76 -1.26 -0.80 115.29 129.26 1ss6 s HIS 13 Ca 0.83 -1.25 -0.12 0.00 -0.15 0.00 0.00 55.06 54.36 1ss6 s HIS 13 Cb -0.27 -3.52 0.04 0.00 1.11 0.00 0.00 32.58 29.94 1ss6 s HIS 13 CO 0.33 -0.94 0.26 0.08 -0.85 0.00 0.00 174.74 173.63 1ss6 s VAL 14 N 1.58 4.77 -0.40 -0.90 1.01 0.17 -4.94 120.40 121.69 1ss6 s VAL 14 Ca 0.04 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.81 1ss6 s VAL 14 Cb -0.27 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.41 1ss6 s VAL 14 CO 0.04 -0.34 1.11 0.54 0.00 0.00 0.00 175.10 176.45 1ss6 s VAL 15 N 1.58 4.35 -0.31 2.92 0.11 -1.26 0.07 120.40 127.85 1ss6 s VAL 15 Ca 0.03 1.47 -0.10 0.00 -2.93 0.00 0.00 61.98 60.45 1ss6 s VAL 15 Cb -0.20 -4.51 -0.01 0.00 -1.53 0.00 0.00 36.38 30.13 1ss6 s VAL 15 CO 0.07 -0.75 0.17 -0.22 -3.33 0.00 0.00 175.10 171.04 1ss6 s LEU 16 N 4.08 4.17 -0.12 2.54 0.20 0.21 -1.94 118.68 127.82 1ss6 s LEU 16 Ca 0.47 -0.46 -0.04 0.00 0.69 0.00 0.00 54.13 54.79 1ss6 s LEU 16 Cb -0.10 -2.04 -0.04 0.00 -0.43 0.00 0.00 46.19 43.59 1ss6 s LEU 16 CO 0.24 -0.19 0.05 -0.54 -0.29 0.00 0.00 176.35 175.62 1ss6 s LYS 17 N 1.65 3.32 -0.46 1.98 1.02 0.87 -0.26 119.74 127.85 1ss6 s LYS 17 Ca 0.05 -0.32 -0.15 0.00 0.02 0.00 0.00 55.97 55.57 1ss6 s LYS 17 Cb -0.17 -2.98 0.07 0.00 -0.52 0.00 0.00 37.83 34.23 1ss6 s LYS 17 CO 0.07 0.63 0.38 -1.17 -0.92 0.00 0.00 175.35 174.34 1ss6 s LEU 18 N -0.64 5.55 0.00 3.17 2.96 0.69 -1.01 118.68 129.40 1ss6 s LEU 18 Ca 0.11 -1.31 0.00 0.00 -0.22 0.00 0.00 54.13 52.71 1ss6 s LEU 18 Cb -0.12 -2.17 0.00 0.00 0.50 0.00 0.00 46.19 44.41 1ss6 s LEU 18 CO 0.02 -0.62 0.00 0.79 -1.32 0.00 0.00 176.35 175.22 1ss6 n TRP 19 N 5.18 -2.61 0.06 5.38 7.02 0.79 -0.35 117.44 132.91 1ss6 n TRP 19 Ca -0.12 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.21 1ss6 n TRP 19 Cb 0.44 0.00 -0.14 0.00 -2.42 0.00 0.00 31.31 29.19 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 0.21 0.01 -0.99 5.09 -1.60 -3.38 116.57 115.90 1ss6 h LYS 20 Ca 0.00 -0.35 -0.34 0.00 0.09 0.00 0.00 60.65 60.05 1ss6 h LYS 20 Cb 0.00 0.13 -0.06 0.00 0.10 0.00 0.00 32.23 32.40 1ss6 h LYS 20 CO 0.00 1.07 -2.08 -1.13 -2.09 0.00 0.00 179.45 175.22 1ss6 n SER 21 N -3.42 0.62 0.00 7.07 3.41 -1.26 -5.03 113.62 115.01 1ss6 n SER 21 Ca -0.14 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1ss6 n SER 21 Cb 1.03 0.35 0.00 0.00 -0.26 0.00 0.00 64.21 65.33 1ss6 n SER 21 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ss6 n GLY 22 N 1.71 2.73 3.05 5.00 0.00 -1.26 -1.92 105.19 114.50 1ss6 n GLY 22 Ca -0.27 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.40 0.43 -0.01 1.61 -0.12 -0.31 -0.15 117.98 119.02 1ss6 s PHE 23 Ca 0.00 -0.84 0.02 0.00 -0.05 0.00 0.00 56.93 56.05 1ss6 s PHE 23 Cb 0.00 -0.31 0.00 0.00 -0.63 0.00 0.00 43.02 42.08 1ss6 s PHE 23 CO 0.00 -0.29 -0.07 0.45 -0.05 0.00 0.00 175.22 175.26 1ss6 s SER 24 N -2.33 0.86 0.48 1.98 0.15 -0.18 -0.71 113.70 113.96 1ss6 s SER 24 Ca -0.02 -0.13 0.08 0.00 0.70 0.00 0.00 55.95 56.58 1ss6 s SER 24 Cb 0.01 -0.18 0.02 0.00 -1.71 0.00 0.00 66.02 64.16 1ss6 s SER 24 CO -0.06 0.06 0.52 -0.76 1.20 0.00 0.00 173.24 174.20 1ss6 s LEU 25 N 0.08 3.25 0.51 3.45 1.02 -0.07 -0.09 118.68 126.84 1ss6 s LEU 25 Ca -0.01 -0.79 0.27 0.00 0.02 0.00 0.00 54.13 53.62 1ss6 s LEU 25 Cb -0.06 -1.93 1.39 0.00 0.02 0.00 0.00 46.19 45.62 1ss6 s LEU 25 CO -0.00 -0.92 2.04 -0.78 0.02 0.00 0.00 176.35 176.70 1ss6 h ASP 26 N 0.69 0.00 0.61 2.29 3.58 -1.70 -2.77 116.42 119.12 1ss6 h ASP 26 Ca -0.37 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.08 1ss6 h ASP 26 Cb 1.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.33 1ss6 h ASP 26 CO 0.51 0.13 -0.89 -0.46 -2.88 0.00 0.00 179.24 175.64 1ss6 n ASN 27 N -3.57 0.64 -3.75 2.28 6.94 -1.26 -4.97 115.26 111.58 1ss6 n ASN 27 Ca -0.01 -0.06 -0.13 0.00 -0.02 0.00 0.00 54.58 54.36 1ss6 n ASN 27 Cb 0.27 0.56 -0.08 0.00 -2.36 0.00 0.00 39.78 38.17 1ss6 n ASN 27 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 1ss6 s GLY 28 N -3.70 -0.15 0.55 4.83 0.00 -1.04 -5.14 107.32 102.66 1ss6 s GLY 28 Ca 0.04 0.22 -0.09 0.00 0.00 0.00 0.00 44.72 44.89 1ss6 s GLY 28 CO 0.77 -0.00 0.72 1.18 0.00 0.00 0.00 173.10 175.77 1ss6 n GLU 29 N 0.97 -0.84 -1.80 2.90 -0.58 -1.26 -0.89 120.64 119.14 1ss6 n GLU 29 Ca -0.20 -1.11 -0.43 0.00 -0.42 0.00 0.00 57.16 55.00 1ss6 n GLU 29 Cb 0.57 -0.76 -0.03 0.00 -0.57 0.00 0.00 31.44 30.65 1ss6 n GLU 29 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1ss6 s LEU 30 N 0.00 3.59 -0.22 -4.62 2.96 -1.26 -4.23 118.68 114.90 1ss6 s LEU 30 Ca 0.41 1.73 -0.04 0.00 -0.22 0.00 0.00 54.13 56.01 1ss6 s LEU 30 Cb -0.01 -3.52 -0.01 0.00 0.50 0.00 0.00 46.19 43.15 1ss6 s LEU 30 CO 0.29 -1.73 -0.05 -0.13 -1.32 0.00 0.00 176.35 173.41 1ss6 s ARG 31 N 5.79 3.38 0.11 1.98 0.52 0.11 -4.87 118.95 125.98 1ss6 s ARG 31 Ca 0.90 -0.62 -0.31 0.00 -0.52 0.00 0.00 55.73 55.17 1ss6 s ARG 31 Cb -0.29 -3.00 -0.08 0.00 0.52 0.00 0.00 34.95 32.10 1ss6 s ARG 31 CO 0.35 -0.17 1.47 -1.12 0.02 0.00 0.00 175.30 175.84 1ss6 s SER 32 N 1.42 6.74 0.53 0.23 0.01 -1.26 -1.16 113.70 120.20 1ss6 s SER 32 Ca 0.05 2.39 0.39 0.00 1.31 0.00 0.00 55.95 60.09 1ss6 s SER 32 Cb -0.14 -2.58 1.56 0.00 0.21 0.00 0.00 66.02 65.06 1ss6 s SER 32 CO -0.03 -0.73 1.72 1.88 0.41 0.00 0.00 173.24 176.49 1ss6 h TYR 33 N 7.09 0.10 -0.30 2.43 0.05 -1.71 0.30 116.97 124.93 1ss6 h TYR 33 Ca -0.42 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.36 1ss6 h TYR 33 Cb 1.20 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.90 1ss6 h TYR 33 CO 0.68 -0.01 0.15 1.96 -1.05 0.00 0.00 178.16 179.88 1ss6 h GLN 34 N 0.04 0.41 -6.77 4.88 7.50 -1.89 -3.39 115.11 115.90 1ss6 h GLN 34 Ca 0.70 -0.04 -0.53 0.00 0.50 0.00 0.00 58.65 59.28 1ss6 h GLN 34 Cb 2.66 -0.09 0.07 0.00 0.05 0.00 0.00 27.48 30.18 1ss6 h GLN 34 CO -0.07 0.32 0.83 0.34 -1.50 0.00 0.00 178.83 178.75 1ss6 s ASP 35 N -6.78 6.51 0.44 1.46 2.15 0.09 -4.89 116.67 115.66 1ss6 s ASP 35 Ca -0.07 2.80 0.30 0.00 0.43 0.00 0.00 52.55 56.01 1ss6 s ASP 35 Cb 0.17 -2.63 1.55 0.00 -0.30 0.00 0.00 42.92 41.71 1ss6 s ASP 35 CO 0.73 -0.81 1.91 -0.65 -0.17 0.00 0.00 175.17 176.18 1ss6 h PRO 36 N 4.99 0.00 0.00 4.34 0.11 -1.90 0.08 132.00 139.62 1ss6 h PRO 36 Ca -0.46 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.48 1ss6 h PRO 36 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1ss6 h PRO 36 CO 0.79 0.00 -0.80 0.77 -0.21 0.00 0.00 178.00 178.55 1ss6 h SER 37 N 0.00 0.00 1.08 -2.05 0.02 -1.93 -3.23 113.55 107.44 1ss6 h SER 37 Ca 0.00 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 1ss6 h SER 37 Cb 0.09 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 1ss6 h SER 37 CO 0.00 0.77 -0.95 0.78 -1.14 0.00 0.00 176.83 176.29 1ss6 h ASN 38 N 0.00 0.00 -0.85 3.07 2.35 -1.29 -3.01 115.58 115.85 1ss6 h ASN 38 Ca -0.01 0.00 0.18 0.00 -0.55 0.00 0.00 56.30 55.92 1ss6 h ASN 38 Cb 1.60 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.91 1ss6 h ASN 38 CO 0.10 0.79 0.56 0.00 -1.65 0.00 0.00 177.43 177.23 1ss6 h ALA 39 N 1.21 2.15 0.67 -0.83 0.00 -1.45 0.19 119.26 121.20 1ss6 h ALA 39 Ca -0.05 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1ss6 h ALA 39 Cb 1.65 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1ss6 h ALA 39 CO 0.09 -0.40 -0.48 0.37 0.00 0.00 0.00 179.25 178.83 1ss6 h GLN 40 N 0.43 -1.06 0.58 0.00 4.15 -1.63 -2.02 115.11 115.55 1ss6 h GLN 40 Ca 0.43 0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.91 1ss6 h GLN 40 Cb 1.03 0.24 -0.02 0.00 0.21 0.00 0.00 27.48 28.94 1ss6 h GLN 40 CO -0.16 -0.71 -0.47 0.74 -1.93 0.00 0.00 178.83 176.30 1ss6 h PHE 41 N -1.10 -1.28 -0.62 3.99 0.04 -1.42 -2.11 116.94 114.45 1ss6 h PHE 41 Ca -0.09 0.00 0.13 0.00 2.80 0.00 0.00 57.97 60.81 1ss6 h PHE 41 Cb 0.91 0.48 -0.11 0.00 2.20 0.00 0.00 35.95 39.43 1ss6 h PHE 41 CO -0.16 -0.66 -0.02 -0.07 -0.60 0.00 0.00 178.31 176.81 1ss6 h LEU 42 N -1.02 -0.31 -0.26 1.54 3.38 -0.69 0.54 115.31 118.49 1ss6 h LEU 42 Ca -0.07 0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 1ss6 h LEU 42 Cb 0.87 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 1ss6 h LEU 42 CO -0.00 -0.13 -0.21 -0.33 0.09 0.00 0.00 178.44 177.86 1ss6 h GLU 43 N 0.10 0.59 -0.65 1.13 5.08 -1.33 -0.29 114.58 119.22 1ss6 h GLU 43 Ca 0.32 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1ss6 h GLU 43 Cb 0.52 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1ss6 h GLU 43 CO -0.54 0.88 0.33 0.77 -1.00 0.00 0.00 179.01 179.46 1ss6 h SER 44 N 0.31 0.82 0.56 1.42 0.02 -0.54 -1.11 113.55 115.03 1ss6 h SER 44 Ca 0.05 -0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 60.82 1ss6 h SER 44 Cb 0.75 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 1ss6 h SER 44 CO 0.05 0.70 -0.31 0.40 -1.14 0.00 0.00 176.83 176.53 1ss6 h ILE 45 N 0.89 0.94 -0.10 3.27 2.04 0.17 0.68 117.51 125.38 1ss6 h ILE 45 Ca 0.22 -1.20 -0.04 0.00 1.00 0.00 0.00 64.86 64.85 1ss6 h ILE 45 Cb 0.08 1.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1ss6 h ILE 45 CO -0.03 0.31 -0.10 0.03 0.00 0.00 0.00 178.15 178.35 1ss6 h ARG 46 N 0.00 0.25 0.00 2.37 3.08 -0.48 -3.25 114.38 116.35 1ss6 h ARG 46 Ca -0.00 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1ss6 h ARG 46 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1ss6 h ARG 46 CO 0.04 0.66 0.00 0.54 -1.07 0.00 0.00 179.97 180.14 1ss6 n ARG 47 N -4.65 0.30 -1.14 0.04 5.12 -0.47 -4.86 116.66 111.00 1ss6 n ARG 47 Ca -0.07 0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.88 1ss6 n ARG 47 Cb 0.33 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.13 1ss6 n ARG 47 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ss6 n GLY 48 N 1.12 0.51 3.96 -0.13 0.00 -0.42 -5.06 105.19 105.17 1ss6 n GLY 48 Ca 0.11 -0.89 -0.24 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.32 2.04 -0.23 1.61 2.02 0.22 -5.00 118.70 117.05 1ss6 s GLU 49 Ca 0.00 -0.71 -0.01 0.00 0.02 0.00 0.00 54.97 54.27 1ss6 s GLU 49 Cb 0.00 -2.30 0.03 0.00 0.10 0.00 0.00 34.13 31.95 1ss6 s GLU 49 CO 0.00 -1.22 -0.10 0.08 0.02 0.00 0.00 175.26 174.04 1ss6 s VAL 50 N -3.10 2.63 0.31 2.63 1.01 -1.26 -4.28 120.40 118.35 1ss6 s VAL 50 Ca 0.62 -1.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 1ss6 s VAL 50 Cb -0.08 -2.29 -0.13 0.00 0.00 0.00 0.00 36.38 33.88 1ss6 s VAL 50 CO 0.43 0.28 1.29 -2.65 0.00 0.00 0.00 175.10 174.45 1ss6 n PRO 51 N 4.64 2.04 0.31 2.72 -0.02 -1.26 -4.88 135.00 138.55 1ss6 n PRO 51 Ca -0.17 0.72 0.20 0.00 -2.02 0.00 0.00 63.50 62.23 1ss6 n PRO 51 Cb 0.48 -2.30 0.99 0.00 -0.02 0.00 0.00 33.50 32.64 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 2.87 1.01 -0.10 3.55 0.00 -1.98 -1.58 119.26 123.03 1ss6 h ALA 52 Ca -0.45 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.48 1ss6 h ALA 52 Cb 1.29 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1ss6 h ALA 52 CO 0.65 0.00 0.08 0.93 0.00 0.00 0.00 179.25 180.91 1ss6 h GLU 53 N 0.00 0.00 0.00 0.00 3.07 -1.89 0.45 114.58 116.20 1ss6 h GLU 53 Ca -0.00 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.78 1ss6 h GLU 53 Cb 0.23 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 1ss6 h GLU 53 CO 0.00 0.00 -0.64 -0.07 -1.40 0.00 0.00 179.01 176.90 1ss6 h LEU 54 N 0.00 0.00 -0.09 1.33 3.38 -1.66 -3.37 115.31 114.90 1ss6 h LEU 54 Ca 0.05 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.61 1ss6 h LEU 54 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1ss6 h LEU 54 CO -0.00 1.00 -0.37 -0.09 0.09 0.00 0.00 178.44 179.07 1ss6 h ARG 55 N -1.00 0.41 -1.57 1.13 1.12 -1.51 -2.62 114.38 110.34 1ss6 h ARG 55 Ca -0.12 -0.32 -0.19 0.00 -1.11 0.00 0.00 59.98 58.24 1ss6 h ARG 55 Cb 0.77 0.06 -0.08 0.00 -0.01 0.00 0.00 29.97 30.71 1ss6 h ARG 55 CO -0.07 0.95 0.24 0.54 -3.11 0.00 0.00 179.97 178.52 1ss6 n ARG 56 N -4.36 1.46 0.12 0.20 5.12 0.16 -3.58 116.66 115.77 1ss6 n ARG 56 Ca -0.08 -0.93 0.00 0.00 -1.93 0.00 0.00 57.85 54.91 1ss6 n ARG 56 Cb 0.53 -1.36 0.00 0.00 -1.16 0.00 0.00 32.46 30.46 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 0.65 0.10 -4.76 0.55 -0.00 -1.15 -4.85 117.00 107.54 1ss6 n LEU 57 Ca 0.18 0.39 -0.40 0.00 -0.00 0.00 0.00 56.01 56.18 1ss6 n LEU 57 Cb 0.60 0.24 -0.05 0.00 -0.00 0.00 0.00 43.42 44.21 1ss6 n LEU 57 CO 0.22 -0.76 0.77 0.00 -0.00 0.00 0.00 177.39 177.61 1ss6 s ALA 58 N -2.00 3.40 -0.19 1.96 0.00 -1.00 -5.04 121.76 118.89 1ss6 s ALA 58 Ca 0.00 0.85 -0.12 0.00 0.00 0.00 0.00 51.96 52.69 1ss6 s ALA 58 Cb 0.00 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 1ss6 s ALA 58 CO 0.00 -0.10 0.19 -1.01 0.00 0.00 0.00 175.76 174.85 1ss6 s HIS 59 N -1.15 3.42 0.00 0.00 3.76 -1.26 -4.47 115.29 115.59 1ss6 s HIS 59 Ca 0.44 0.43 0.00 0.00 -0.15 0.00 0.00 55.06 55.78 1ss6 s HIS 59 Cb -0.31 -2.24 0.00 0.00 1.11 0.00 0.00 32.58 31.15 1ss6 s HIS 59 CO 0.39 0.26 0.00 0.41 -0.85 0.00 0.00 174.74 174.95 1ss6 n GLY 60 N 3.50 4.57 0.00 -2.22 0.00 -1.26 -0.87 105.19 108.91 1ss6 n GLY 60 Ca -0.14 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 0.00 1.20 3.65 -0.02 0.00 -1.26 -4.95 105.19 103.81 1ss6 n GLY 61 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.02 3.97 -0.27 1.61 -0.44 -1.26 -4.96 119.66 118.29 1ss6 s GLN 62 Ca 0.00 2.50 -0.01 0.00 -2.50 0.00 0.00 55.36 55.36 1ss6 s GLN 62 Cb 0.00 -4.20 0.08 0.00 -1.64 0.00 0.00 33.01 27.26 1ss6 s GLN 62 CO 0.00 -1.15 0.06 0.14 0.50 0.00 0.00 175.29 174.84 1ss6 s VAL 63 N 5.10 0.94 -0.12 1.34 -7.23 -1.26 -0.86 120.40 118.31 1ss6 s VAL 63 Ca 0.90 -1.20 0.01 0.00 -1.81 0.00 0.00 61.98 59.89 1ss6 s VAL 63 Cb -0.41 -1.57 0.02 0.00 0.56 0.00 0.00 36.38 34.98 1ss6 s VAL 63 CO 0.40 -0.47 -0.16 0.21 -0.31 0.00 0.00 175.10 174.78 1ss6 s ASN 64 N 1.62 2.57 -0.24 4.85 2.47 0.01 -5.03 114.94 121.19 1ss6 s ASN 64 Ca 0.05 -0.46 -0.04 0.00 0.42 0.00 0.00 52.86 52.82 1ss6 s ASN 64 Cb -0.18 -1.15 0.00 0.00 -1.45 0.00 0.00 41.25 38.48 1ss6 s ASN 64 CO -0.17 0.01 -0.01 -0.22 -3.72 0.00 0.00 177.10 172.98 1ss6 s LEU 65 N 1.08 3.21 0.10 3.21 2.96 -1.26 0.46 118.68 128.43 1ss6 s LEU 65 Ca -0.04 -0.55 0.03 0.00 -0.22 0.00 0.00 54.13 53.35 1ss6 s LEU 65 Cb -0.14 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1ss6 s LEU 65 CO -0.04 -0.08 0.14 -1.81 -1.32 0.00 0.00 176.35 173.24 1ss6 s ASP 66 N 1.46 5.78 -0.18 3.68 1.11 0.11 -4.95 116.67 123.68 1ss6 s ASP 66 Ca 0.04 0.04 -0.01 0.00 0.18 0.00 0.00 52.55 52.80 1ss6 s ASP 66 Cb -0.15 -1.61 0.05 0.00 1.07 0.00 0.00 42.92 42.27 1ss6 s ASP 66 CO -0.02 0.13 -0.03 -0.04 1.18 0.00 0.00 175.17 176.39 1ss6 s MET 67 N -2.68 1.30 0.10 8.23 -1.94 -1.25 0.63 119.30 123.68 1ss6 s MET 67 Ca 0.31 -0.56 0.03 0.00 -1.71 0.00 0.00 55.69 53.76 1ss6 s MET 67 Cb -0.12 -2.09 -0.04 0.00 2.01 0.00 0.00 34.83 34.59 1ss6 s MET 67 CO 0.24 -0.49 0.09 -1.21 -0.01 0.00 0.00 175.02 173.64 1ss6 s GLU 68 N 1.64 2.90 -0.20 2.03 2.02 0.64 -4.98 118.70 122.76 1ss6 s GLU 68 Ca -0.01 -0.72 -0.07 0.00 0.02 0.00 0.00 54.97 54.20 1ss6 s GLU 68 Cb -0.16 -2.72 -0.04 0.00 0.10 0.00 0.00 34.13 31.31 1ss6 s GLU 68 CO -0.07 0.55 0.06 0.16 0.02 0.00 0.00 175.26 175.98 1ss6 s ASP 69 N -2.53 5.49 -0.35 -0.19 -4.77 -1.26 -0.22 116.67 112.84 1ss6 s ASP 69 Ca 0.30 0.01 0.15 0.00 -3.30 0.00 0.00 52.55 49.70 1ss6 s ASP 69 Cb -0.12 -1.95 0.43 0.00 -1.09 0.00 0.00 42.92 40.20 1ss6 s ASP 69 CO 0.22 0.13 1.19 1.41 0.70 0.00 0.00 175.17 178.82 1ss6 n HIS 70 N 3.86 -0.59 0.09 2.11 8.25 0.53 -4.86 115.22 124.61 1ss6 n HIS 70 Ca -0.16 -2.26 -0.13 0.00 -0.26 0.00 0.00 57.72 54.91 1ss6 n HIS 70 Cb 0.52 0.62 -0.08 0.00 1.12 0.00 0.00 29.99 32.17 1ss6 n HIS 70 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ss6 h ARG 71 N 2.34 -0.24 -0.12 -0.41 3.08 -1.36 -2.32 114.38 115.36 1ss6 h ARG 71 Ca -0.21 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.85 1ss6 h ARG 71 Cb 1.25 0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.35 1ss6 h ARG 71 CO 0.17 0.11 0.00 -0.40 -1.07 0.00 0.00 179.97 178.77 1ss6 n ASP 72 N -5.04 0.88 0.06 7.04 5.75 -1.26 -1.94 116.55 122.05 1ss6 n ASP 72 Ca -0.09 -1.72 -0.07 0.00 -0.01 0.00 0.00 54.79 52.90 1ss6 n ASP 72 Cb 0.24 -0.08 -0.12 0.00 -1.03 0.00 0.00 41.12 40.13 1ss6 n ASP 72 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1ss6 h GLU 73 N 1.10 0.00 -1.30 0.11 4.57 -1.76 0.95 114.58 118.25 1ss6 h GLU 73 Ca 0.00 0.00 0.15 0.00 -1.18 0.00 0.00 59.36 58.33 1ss6 h GLU 73 Cb 0.24 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.78 1ss6 h GLU 73 CO 0.00 0.94 -0.30 -3.47 -1.18 0.00 0.00 179.01 175.00 1ss6 n ASP 74 N -3.32 -3.40 -4.57 1.04 2.03 -1.08 -0.74 116.55 106.51 1ss6 n ASP 74 Ca -0.01 0.34 -0.40 0.00 0.52 0.00 0.00 54.79 55.24 1ss6 n ASP 74 Cb 0.94 -1.80 -0.03 0.00 -0.72 0.00 0.00 41.12 39.52 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 -2.14 1.95 -0.40 -0.67 5.36 -1.26 -4.82 117.98 115.99 1ss6 s PHE 75 Ca 0.00 0.60 0.04 0.00 -0.96 0.00 0.00 56.93 56.60 1ss6 s PHE 75 Cb 0.00 -4.24 0.16 0.00 -0.34 0.00 0.00 43.02 38.60 1ss6 s PHE 75 CO 0.00 -2.28 0.39 0.54 -1.46 0.00 0.00 175.22 172.41 1ss6 s VAL 76 N 7.41 -0.19 0.11 3.12 0.11 -1.26 -4.85 120.40 124.84 1ss6 s VAL 76 Ca 0.62 -1.50 0.00 0.00 -2.93 0.00 0.00 61.98 58.17 1ss6 s VAL 76 Cb -0.13 -0.78 0.00 0.00 -1.53 0.00 0.00 36.38 33.94 1ss6 s VAL 76 CO 0.24 -0.73 0.00 1.17 -3.33 0.00 0.00 175.10 172.45 1ss6 n LYS 77 N 3.69 0.00 0.00 1.54 0.00 -1.26 -4.96 118.16 117.17 1ss6 n LYS 77 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.48 1ss6 n LYS 77 Cb 0.46 -0.22 0.00 0.00 0.00 0.00 0.00 35.03 35.28 1ss6 n LYS 77 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1ss6 n PRO 78 N -3.11 0.00 0.00 1.64 -0.02 -1.26 -4.79 135.00 127.45 1ss6 n PRO 78 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1ss6 n PRO 78 Cb 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.59 1ss6 n PRO 78 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1ss6 n LYS 79 N 0.00 0.00 0.00 -0.52 4.76 -1.26 -4.68 118.16 116.46 1ss6 n LYS 79 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1ss6 n LYS 79 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 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 0.00 -0.56 3.78 0.72 0.00 -1.26 -5.12 105.19 102.75 1ss6 n GLY 80 Ca 0.00 0.22 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 1ss6 n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ss6 s ALA 81 N -1.00 2.55 -0.60 4.61 0.00 -1.26 -4.96 121.76 121.10 1ss6 s ALA 81 Ca 0.00 0.46 -0.22 0.00 0.00 0.00 0.00 51.96 52.20 1ss6 s ALA 81 Cb 0.00 -3.28 0.07 0.00 0.00 0.00 0.00 23.12 19.91 1ss6 s ALA 81 CO 0.00 -1.16 0.85 -0.06 0.00 0.00 0.00 175.76 175.40 1ss6 s PHE 82 N -2.44 2.82 -0.61 0.00 0.08 -1.26 -4.85 117.98 111.72 1ss6 s PHE 82 Ca 0.65 -0.52 0.08 0.00 0.12 0.00 0.00 56.93 57.26 1ss6 s PHE 82 Cb -0.19 -4.07 0.45 0.00 -0.57 0.00 0.00 43.02 38.65 1ss6 s PHE 82 CO 0.42 -1.42 1.19 0.36 -0.10 0.00 0.00 175.22 175.67 1ss6 n LYS 83 N 7.14 3.14 -1.56 0.44 2.85 -1.26 -4.94 118.16 123.97 1ss6 n LYS 83 Ca -0.04 -1.74 -0.46 0.00 -1.05 0.00 0.00 58.31 55.02 1ss6 n LYS 83 Cb 0.45 -1.92 -0.05 0.00 -0.65 0.00 0.00 35.03 32.87 1ss6 n LYS 83 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ss6 n ALA 84 N 0.35 1.41 -1.33 0.58 0.00 -1.26 -4.80 120.51 115.47 1ss6 n ALA 84 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1ss6 n ALA 84 Cb 0.77 -2.73 0.00 0.00 0.00 0.00 0.00 19.45 17.49 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 10.22 0.00 -0.92 0.00 7.35 0.08 -5.04 117.46 129.15 1ss6 n PHE 85 Ca 0.33 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 57.02 1ss6 n PHE 85 Cb 0.35 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.18 1ss6 n PHE 85 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1ss6 n THR 86 N -0.67 -3.46 0.00 -2.13 -1.04 0.33 -4.87 114.28 102.44 1ss6 n THR 86 Ca 0.00 1.37 0.00 0.00 -2.04 0.00 0.00 64.05 63.38 1ss6 n THR 86 Cb 0.00 -1.98 0.00 0.00 -1.82 0.00 0.00 70.33 66.53 1ss6 n THR 86 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ss6 n GLY 87 N -0.67 0.32 0.00 3.41 0.00 -1.26 -4.94 105.19 102.05 1ss6 n GLY 87 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ss6 n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ss6 n GLU 88 N 0.00 -0.21 0.00 1.61 -0.58 -1.26 -4.80 120.64 115.40 1ss6 n GLU 88 Ca 0.00 -0.69 0.00 0.00 -0.42 0.00 0.00 57.16 56.05 1ss6 n GLU 88 Cb 0.00 -1.00 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 1ss6 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ss6 n GLY 89 N -0.10 -0.46 0.03 0.62 0.00 -1.26 -4.93 105.19 99.09 1ss6 n GLY 89 Ca 0.00 0.02 0.16 0.00 0.00 0.00 0.00 46.02 46.19 1ss6 n GLY 89 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1ss6 n GLN 90 N -2.23 0.90 0.08 1.61 3.00 -1.26 -1.45 117.38 118.02 1ss6 n GLN 90 Ca 0.00 -0.07 -0.05 0.00 -0.01 0.00 0.00 57.00 56.87 1ss6 n GLN 90 Cb 0.00 -1.50 0.12 0.00 0.00 0.00 0.00 30.24 28.86 1ss6 n GLN 90 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.06 178.63 1ss6 h LYS 91 N 0.16 0.28 0.00 -1.09 2.10 -1.92 -3.46 116.57 112.64 1ss6 h LYS 91 Ca 0.00 -0.18 0.00 0.00 -2.00 0.00 0.00 60.65 58.47 1ss6 h LYS 91 Cb 0.11 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 1ss6 h LYS 91 CO 0.00 0.78 0.00 1.28 -2.00 0.00 0.00 179.45 179.51 1ss6 n LEU 92 N -3.90 0.00 0.00 7.07 4.77 -0.53 -4.62 117.00 119.80 1ss6 n LEU 92 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1ss6 n LEU 92 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1ss6 n LEU 92 CO 0.44 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1ss6 n GLY 93 N 0.00 0.57 3.59 -0.72 0.00 -1.26 -4.76 105.19 102.60 1ss6 n GLY 93 Ca 0.00 -1.46 -0.25 0.00 0.00 0.00 0.00 46.02 44.30 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 0.00 -5.70 -4.26 1.61 3.41 -1.26 -5.01 113.62 102.40 1ss6 n SER 94 Ca 0.00 -0.86 -0.22 0.00 -0.26 0.00 0.00 58.87 57.52 1ss6 n SER 94 Cb 0.00 -3.52 -0.09 0.00 -0.26 0.00 0.00 64.21 60.34 1ss6 n SER 94 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1ss6 s THR 95 N -3.33 0.79 -0.45 6.66 -4.23 -1.26 -5.11 115.64 108.71 1ss6 s THR 95 Ca 0.35 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.74 1ss6 s THR 95 Cb -0.12 -2.56 0.08 0.00 1.34 0.00 0.00 72.50 71.25 1ss6 s THR 95 CO 0.84 0.00 0.32 0.00 -0.54 0.00 0.00 174.62 175.25 1ss6 s ALA 96 N -3.34 3.40 -0.13 3.99 0.00 -1.26 -4.19 121.76 120.24 1ss6 s ALA 96 Ca 0.31 -2.20 0.26 0.00 0.00 0.00 0.00 51.96 50.33 1ss6 s ALA 96 Cb 0.06 -2.83 0.75 0.00 0.00 0.00 0.00 23.12 21.09 1ss6 s ALA 96 CO 0.15 -1.72 1.75 -1.00 0.00 0.00 0.00 175.76 174.94 1ss6 h PRO 97 N 8.54 0.00 0.00 0.00 0.13 -1.88 -3.47 132.00 135.32 1ss6 h PRO 97 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1ss6 h PRO 97 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1ss6 h PRO 97 CO 0.82 0.10 0.00 1.04 -0.23 0.00 0.00 178.00 179.73 1ss6 n GLN 98 N -3.16 0.00 0.30 0.86 6.02 -1.26 -5.00 117.38 115.13 1ss6 n GLN 98 Ca 0.02 0.00 0.16 0.00 -0.01 0.00 0.00 57.00 57.17 1ss6 n GLN 98 Cb 0.46 0.00 0.93 0.00 1.02 0.00 0.00 30.24 32.65 1ss6 n GLN 98 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 1ss6 h VAL 99 N 0.00 0.42 -3.14 5.09 -1.51 -2.01 -3.40 116.25 111.71 1ss6 h VAL 99 Ca 0.00 -0.13 -0.60 0.00 -1.23 0.00 0.00 66.70 64.74 1ss6 h VAL 99 Cb 0.00 1.09 -0.07 0.00 -2.13 0.00 0.00 31.29 30.18 1ss6 h VAL 99 CO 0.00 0.03 -0.20 -0.76 -1.23 0.00 0.00 177.57 175.41 1ss6 s LEU 100 N -7.26 4.39 -0.09 4.19 1.02 -1.26 -4.98 118.68 114.68 1ss6 s LEU 100 Ca -0.04 0.86 0.03 0.00 0.02 0.00 0.00 54.13 54.99 1ss6 s LEU 100 Cb 0.14 -2.59 0.22 0.00 0.02 0.00 0.00 46.19 43.99 1ss6 s LEU 100 CO 0.53 0.20 1.01 -1.54 0.02 0.00 0.00 176.35 176.57 1ss6 n SER 101 N 2.59 2.68 0.00 2.29 3.41 -1.26 -3.97 113.62 119.35 1ss6 n SER 101 Ca -0.12 -2.34 0.00 0.00 -0.26 0.00 0.00 58.87 56.15 1ss6 n SER 101 Cb 0.52 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1ss6 n SER 101 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95