#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ss6 s SER 2 N 0.00 6.24 -0.06 1.61 0.01 -1.26 -4.85 113.70 115.40 1ss6 s SER 2 Ca 0.00 -1.10 -0.02 0.00 1.31 0.00 0.00 55.95 56.15 1ss6 s SER 2 Cb 0.00 -2.43 -0.01 0.00 0.21 0.00 0.00 66.02 63.79 1ss6 s SER 2 CO 0.00 -1.43 -0.03 -0.33 0.41 0.00 0.00 173.24 171.86 1ss6 h GLU 3 N 9.52 0.00 0.00 12.44 5.08 -2.14 -3.48 114.58 136.00 1ss6 h GLU 3 Ca -0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1ss6 h GLU 3 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1ss6 h GLU 3 CO 1.19 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 180.83 1ss6 n LYS 4 N -3.45 0.00 -0.39 2.33 4.76 -1.26 -5.15 118.16 115.00 1ss6 n LYS 4 Ca -0.01 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.48 1ss6 n LYS 4 Cb 0.05 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.22 1ss6 n LYS 4 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1ss6 n ARG 5 N -1.65 -0.78 -3.10 1.97 5.12 -1.26 -4.96 116.66 111.99 1ss6 n ARG 5 Ca 0.00 0.51 -0.04 0.00 -1.93 0.00 0.00 57.85 56.39 1ss6 n ARG 5 Cb 0.00 -0.95 0.00 0.00 -1.16 0.00 0.00 32.46 30.35 1ss6 n ARG 5 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 1ss6 n GLN 6 N -2.39 -1.51 -3.75 5.56 -0.06 -1.26 -4.97 117.38 109.00 1ss6 n GLN 6 Ca 0.00 1.52 -0.35 0.00 -2.00 0.00 0.00 57.00 56.17 1ss6 n GLN 6 Cb 0.18 -5.37 -0.10 0.00 -4.06 0.00 0.00 30.24 20.89 1ss6 n GLN 6 CO 0.00 0.00 0.00 -3.38 -0.20 0.00 0.00 177.06 173.48 1ss6 s HIS 7 N -2.91 3.39 0.37 3.69 -3.43 -1.26 -5.05 115.29 110.08 1ss6 s HIS 7 Ca 0.04 -2.77 0.04 0.00 -0.80 0.00 0.00 55.06 51.57 1ss6 s HIS 7 Cb -0.01 -3.15 -0.04 0.00 -1.43 0.00 0.00 32.58 27.96 1ss6 s HIS 7 CO 0.77 -0.83 0.12 -1.12 -2.00 0.00 0.00 174.74 171.68 1ss6 s SER 8 N 0.59 2.43 -1.68 7.38 0.01 -1.26 -4.83 113.70 116.34 1ss6 s SER 8 Ca 0.17 -1.58 -0.02 0.00 1.31 0.00 0.00 55.95 55.82 1ss6 s SER 8 Cb -0.21 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.37 1ss6 s SER 8 CO -0.03 -0.85 0.28 -1.20 0.41 0.00 0.00 173.24 171.85 1ss6 n SER 9 N -1.08 -6.03 0.08 2.44 7.64 0.98 -4.89 113.62 112.76 1ss6 n SER 9 Ca -0.04 -0.14 -0.22 0.00 1.01 0.00 0.00 58.87 59.48 1ss6 n SER 9 Cb 0.65 -4.94 -0.15 0.00 -1.01 0.00 0.00 64.21 58.76 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 -0.65 0.38 -3.27 1.43 4.20 -1.88 -3.48 115.11 111.84 1ss6 h GLN 10 Ca -0.51 -0.66 0.00 0.00 0.06 0.00 0.00 58.65 57.54 1ss6 h GLN 10 Cb 1.37 0.24 0.00 0.00 0.30 0.00 0.00 27.48 29.39 1ss6 h GLN 10 CO 0.58 1.29 -0.72 -0.25 -0.67 0.00 0.00 178.83 179.07 1ss6 n ASP 11 N -3.58 -7.43 -4.74 1.46 8.00 -1.26 -4.94 116.55 104.06 1ss6 n ASP 11 Ca -0.23 1.02 -0.38 0.00 0.71 0.00 0.00 54.79 55.91 1ss6 n ASP 11 Cb 1.07 -3.77 -0.06 0.00 -0.02 0.00 0.00 41.12 38.35 1ss6 n ASP 11 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ss6 s VAL 12 N -1.14 5.15 -0.37 2.53 0.11 -0.55 -4.99 120.40 121.14 1ss6 s VAL 12 Ca 0.00 0.95 -0.11 0.00 -2.93 0.00 0.00 61.98 59.89 1ss6 s VAL 12 Cb 0.00 -3.81 0.02 0.00 -1.53 0.00 0.00 36.38 31.07 1ss6 s VAL 12 CO 0.00 0.37 0.21 -1.00 -3.33 0.00 0.00 175.10 171.35 1ss6 s HIS 13 N 0.35 3.24 -0.46 1.54 3.76 -1.26 -1.91 115.29 120.54 1ss6 s HIS 13 Ca 0.26 -0.88 -0.13 0.00 -0.15 0.00 0.00 55.06 54.16 1ss6 s HIS 13 Cb -0.15 -2.44 0.09 0.00 1.11 0.00 0.00 32.58 31.18 1ss6 s HIS 13 CO 0.11 -0.62 0.36 0.08 -0.85 0.00 0.00 174.74 173.82 1ss6 s VAL 14 N 1.57 4.79 -0.55 -0.90 1.01 0.36 -4.65 120.40 122.02 1ss6 s VAL 14 Ca 0.03 -1.32 -0.22 0.00 0.00 0.00 0.00 61.98 60.47 1ss6 s VAL 14 Cb -0.19 -3.94 0.05 0.00 0.00 0.00 0.00 36.38 32.30 1ss6 s VAL 14 CO 0.07 -0.62 0.83 0.54 0.00 0.00 0.00 175.10 175.91 1ss6 s VAL 15 N 1.53 4.56 -0.33 2.92 0.11 -1.26 -0.99 120.40 126.94 1ss6 s VAL 15 Ca 0.04 -0.14 -0.10 0.00 -2.93 0.00 0.00 61.98 58.85 1ss6 s VAL 15 Cb -0.25 -4.48 0.00 0.00 -1.53 0.00 0.00 36.38 30.13 1ss6 s VAL 15 CO 0.04 -1.06 0.18 -0.22 -3.33 0.00 0.00 175.10 170.71 1ss6 s LEU 16 N 3.46 4.35 -0.14 2.54 0.20 0.29 -3.40 118.68 125.99 1ss6 s LEU 16 Ca 0.23 -0.66 -0.06 0.00 0.69 0.00 0.00 54.13 54.34 1ss6 s LEU 16 Cb -0.16 -2.03 -0.04 0.00 -0.43 0.00 0.00 46.19 43.54 1ss6 s LEU 16 CO 0.15 -0.26 0.05 -0.54 -0.29 0.00 0.00 176.35 175.46 1ss6 s LYS 17 N 1.61 3.60 -0.37 1.98 1.02 0.87 0.10 119.74 128.56 1ss6 s LYS 17 Ca 0.04 -0.34 -0.13 0.00 0.02 0.00 0.00 55.97 55.56 1ss6 s LYS 17 Cb -0.18 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 1ss6 s LYS 17 CO 0.07 0.47 0.25 -1.17 -0.92 0.00 0.00 175.35 174.05 1ss6 s LEU 18 N -0.19 4.72 0.00 3.17 2.96 0.19 -0.56 118.68 128.97 1ss6 s LEU 18 Ca 0.07 -0.69 0.00 0.00 -0.22 0.00 0.00 54.13 53.29 1ss6 s LEU 18 Cb -0.12 -2.11 0.00 0.00 0.50 0.00 0.00 46.19 44.45 1ss6 s LEU 18 CO 0.01 -0.33 0.00 0.79 -1.32 0.00 0.00 176.35 175.50 1ss6 n TRP 19 N 5.10 -1.45 0.03 5.38 7.02 0.18 0.49 117.44 134.18 1ss6 n TRP 19 Ca -0.12 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.17 1ss6 n TRP 19 Cb 0.48 0.00 -0.09 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 0.71 0.03 -0.99 5.09 -1.87 -3.35 116.57 116.18 1ss6 h LYS 20 Ca 0.00 -0.70 -0.32 0.00 0.09 0.00 0.00 60.65 59.72 1ss6 h LYS 20 Cb 0.00 0.19 -0.05 0.00 0.10 0.00 0.00 32.23 32.47 1ss6 h LYS 20 CO 0.00 1.29 -1.89 0.45 -2.09 0.00 0.00 179.45 177.21 1ss6 n SER 21 N -3.87 1.09 0.00 7.07 2.88 -1.26 -4.94 113.62 114.60 1ss6 n SER 21 Ca -0.10 0.29 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1ss6 n SER 21 Cb 0.84 -0.13 0.00 0.00 -0.75 0.00 0.00 64.21 64.17 1ss6 n SER 21 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ss6 n GLY 22 N 1.71 2.15 2.97 0.46 0.00 -1.26 -2.16 105.19 109.06 1ss6 n GLY 22 Ca -0.23 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.62 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 0.03 0.01 1.61 -0.71 0.61 0.51 117.98 120.44 1ss6 s PHE 23 Ca 0.00 -0.05 0.08 0.00 -1.04 0.00 0.00 56.93 55.92 1ss6 s PHE 23 Cb 0.00 -0.04 -0.02 0.00 -1.21 0.00 0.00 43.02 41.75 1ss6 s PHE 23 CO 0.00 -0.11 -0.24 -1.54 -1.34 0.00 0.00 175.22 171.99 1ss6 s SER 24 N -0.54 2.90 0.00 1.98 1.04 0.28 0.00 113.70 119.35 1ss6 s SER 24 Ca -0.06 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.86 1ss6 s SER 24 Cb -0.04 -0.29 0.00 0.00 0.10 0.00 0.00 66.02 65.79 1ss6 s SER 24 CO 0.00 0.26 0.00 0.18 0.98 0.00 0.00 173.24 174.66 1ss6 n LEU 25 N 2.13 0.00 0.04 2.42 4.32 0.34 -0.09 117.00 126.17 1ss6 n LEU 25 Ca -0.16 0.00 -0.21 0.00 -0.02 0.00 0.00 56.01 55.62 1ss6 n LEU 25 Cb 0.52 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 42.18 1ss6 n LEU 25 CO 0.23 -0.09 -0.10 -0.78 -1.22 0.00 0.00 177.39 175.43 1ss6 h ASP 26 N 0.00 0.46 -0.90 -1.43 3.58 -1.82 -3.36 116.42 112.95 1ss6 h ASP 26 Ca 0.00 -0.92 0.03 0.00 0.42 0.00 0.00 57.03 56.55 1ss6 h ASP 26 Cb 0.00 -0.15 -0.05 0.00 1.72 0.00 0.00 39.33 40.85 1ss6 h ASP 26 CO 0.00 1.47 0.59 -0.55 -2.88 0.00 0.00 179.24 177.87 1ss6 h ASN 27 N -0.33 0.99 -4.57 2.28 -1.07 -1.93 -3.45 115.58 107.51 1ss6 h ASN 27 Ca -0.19 -0.01 -0.27 0.00 0.07 0.00 0.00 56.30 55.89 1ss6 h ASN 27 Cb 1.70 -0.23 -0.15 0.00 -2.07 0.00 0.00 38.32 37.57 1ss6 h ASN 27 CO 0.13 0.69 -0.67 -0.83 0.07 0.00 0.00 177.43 176.82 1ss6 s GLY 28 N -3.08 1.10 0.00 9.14 0.00 -1.26 -5.17 107.32 108.06 1ss6 s GLY 28 Ca -0.13 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.06 1ss6 s GLY 28 CO 0.80 -1.50 0.00 1.18 0.00 0.00 0.00 173.10 173.58 1ss6 n GLU 29 N -0.19 1.26 -1.54 2.90 1.02 -1.26 -0.50 120.64 122.33 1ss6 n GLU 29 Ca -0.08 0.00 -0.46 0.00 -0.02 0.00 0.00 57.16 56.61 1ss6 n GLU 29 Cb 0.63 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 32.00 1ss6 n GLU 29 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1ss6 n LEU 30 N 0.00 2.79 -4.38 -4.62 0.00 -1.26 -4.22 117.00 105.30 1ss6 n LEU 30 Ca 0.00 0.24 -0.35 0.00 0.00 0.00 0.00 56.01 55.91 1ss6 n LEU 30 Cb 0.00 -1.45 -0.13 0.00 0.00 0.00 0.00 43.42 41.84 1ss6 n LEU 30 CO 0.00 -0.74 -0.37 -0.13 0.00 0.00 0.00 177.39 176.15 1ss6 s ARG 31 N 6.42 3.49 0.41 1.96 0.52 0.10 -4.85 118.95 127.00 1ss6 s ARG 31 Ca 1.04 -0.58 -0.26 0.00 -0.52 0.00 0.00 55.73 55.41 1ss6 s ARG 31 Cb -0.52 -3.00 -0.09 0.00 0.52 0.00 0.00 34.95 31.86 1ss6 s ARG 31 CO 0.40 -0.05 1.33 -1.54 0.02 0.00 0.00 175.30 175.46 1ss6 s SER 32 N 1.12 6.28 0.64 0.23 1.04 -1.26 -0.29 113.70 121.47 1ss6 s SER 32 Ca 0.02 2.72 0.42 0.00 0.48 0.00 0.00 55.95 59.59 1ss6 s SER 32 Cb -0.15 -2.64 2.22 0.00 0.10 0.00 0.00 66.02 65.55 1ss6 s SER 32 CO 0.00 -0.88 2.29 1.88 0.98 0.00 0.00 173.24 177.52 1ss6 h TYR 33 N 2.69 0.00 0.00 5.02 0.05 -1.77 -2.59 116.97 120.37 1ss6 h TYR 33 Ca -0.50 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.09 1ss6 h TYR 33 Cb 1.25 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.96 1ss6 h TYR 33 CO 0.53 0.00 -0.91 1.96 -1.05 0.00 0.00 178.16 178.69 1ss6 h GLN 34 N 0.00 0.00 -6.60 4.88 4.20 -1.90 -3.41 115.11 112.29 1ss6 h GLN 34 Ca 0.00 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 58.18 1ss6 h GLN 34 Cb 0.10 0.00 0.03 0.00 0.30 0.00 0.00 27.48 27.91 1ss6 h GLN 34 CO 0.00 0.88 0.70 0.34 -0.67 0.00 0.00 178.83 180.08 1ss6 s ASP 35 N -6.64 6.84 0.61 1.46 -1.08 -0.98 -4.89 116.67 111.99 1ss6 s ASP 35 Ca 0.02 2.37 0.34 0.00 -0.52 0.00 0.00 52.55 54.75 1ss6 s ASP 35 Cb 0.09 -2.60 1.98 0.00 -1.46 0.00 0.00 42.92 40.94 1ss6 s ASP 35 CO 0.80 -0.62 2.28 -0.65 0.52 0.00 0.00 175.17 177.51 1ss6 h PRO 36 N 6.26 0.00 0.00 4.34 0.11 -1.90 0.42 132.00 141.23 1ss6 h PRO 36 Ca -0.43 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.53 1ss6 h PRO 36 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1ss6 h PRO 36 CO 0.83 0.01 -0.71 1.03 -0.21 0.00 0.00 178.00 178.95 1ss6 h SER 37 N 0.00 0.00 1.17 -2.05 0.87 -1.95 -3.10 113.55 108.49 1ss6 h SER 37 Ca -0.00 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 1ss6 h SER 37 Cb 0.02 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1ss6 h SER 37 CO 0.00 0.71 -0.85 0.78 -0.53 0.00 0.00 176.83 176.94 1ss6 h ASN 38 N 0.00 0.00 0.06 6.23 2.35 -1.27 -3.12 115.58 119.83 1ss6 h ASN 38 Ca -0.01 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1ss6 h ASN 38 Cb 1.44 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.81 1ss6 h ASN 38 CO 0.09 0.18 -0.06 0.00 -1.65 0.00 0.00 177.43 176.00 1ss6 h ALA 39 N 1.82 1.89 -0.40 -0.83 0.00 -1.07 -1.34 119.26 119.33 1ss6 h ALA 39 Ca -0.04 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1ss6 h ALA 39 Cb 1.17 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 1ss6 h ALA 39 CO 0.02 0.07 -0.02 0.37 0.00 0.00 0.00 179.25 179.69 1ss6 h GLN 40 N 0.00 0.08 0.70 0.00 -0.00 -1.57 0.12 115.11 114.44 1ss6 h GLN 40 Ca -0.00 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.61 1ss6 h GLN 40 Cb 0.10 -0.02 0.01 0.00 0.00 0.00 0.00 27.48 27.57 1ss6 h GLN 40 CO 0.01 0.06 -0.34 0.74 0.00 0.00 0.00 178.83 179.30 1ss6 h PHE 41 N 0.09 -0.87 -0.83 3.99 0.04 -1.44 -2.18 116.94 115.74 1ss6 h PHE 41 Ca 0.20 -0.02 0.14 0.00 2.80 0.00 0.00 57.97 61.09 1ss6 h PHE 41 Cb 0.28 0.29 -0.09 0.00 2.20 0.00 0.00 35.95 38.63 1ss6 h PHE 41 CO -0.28 -0.52 0.41 -0.07 -0.60 0.00 0.00 178.31 177.26 1ss6 h LEU 42 N -1.16 0.49 -0.00 1.54 3.38 -1.16 0.24 115.31 118.65 1ss6 h LEU 42 Ca -0.10 0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1ss6 h LEU 42 Cb 0.75 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1ss6 h LEU 42 CO 0.16 0.21 -0.00 -0.08 0.09 0.00 0.00 178.44 178.82 1ss6 h GLU 43 N 0.60 0.00 -0.59 1.13 4.57 -0.80 -0.06 114.58 119.43 1ss6 h GLU 43 Ca 0.45 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.62 1ss6 h GLU 43 Cb 0.63 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.19 1ss6 h GLU 43 CO -0.36 0.57 0.35 0.77 -1.18 0.00 0.00 179.01 179.16 1ss6 h SER 44 N -0.56 0.72 0.73 1.04 0.02 -0.84 -0.50 113.55 114.15 1ss6 h SER 44 Ca 0.00 -0.07 -0.10 0.00 -0.84 0.00 0.00 61.79 60.78 1ss6 h SER 44 Cb 0.57 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 1ss6 h SER 44 CO 0.00 0.58 -0.48 0.40 -1.14 0.00 0.00 176.83 176.19 1ss6 h ILE 45 N 0.80 1.14 -0.13 3.27 2.04 -0.58 0.51 117.51 124.56 1ss6 h ILE 45 Ca 0.21 -1.77 -0.01 0.00 1.00 0.00 0.00 64.86 64.29 1ss6 h ILE 45 Cb -0.00 2.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 1ss6 h ILE 45 CO -0.04 0.47 0.04 -0.09 0.00 0.00 0.00 178.15 178.53 1ss6 h ARG 46 N 0.00 0.20 -0.30 2.37 2.43 -0.34 -3.22 114.38 115.52 1ss6 h ARG 46 Ca -0.00 -0.04 -0.12 0.00 -0.81 0.00 0.00 59.98 59.00 1ss6 h ARG 46 Cb 0.97 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 1ss6 h ARG 46 CO 0.06 0.34 -0.27 0.00 -1.51 0.00 0.00 179.97 178.59 1ss6 h ARG 47 N 0.03 0.71 0.00 0.20 2.47 -0.80 -3.47 114.38 113.52 1ss6 h ARG 47 Ca 0.04 -0.37 0.00 0.00 -1.26 0.00 0.00 59.98 58.40 1ss6 h ARG 47 Cb 0.22 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.55 1ss6 h ARG 47 CO -0.00 0.98 0.00 0.41 0.56 0.00 0.00 179.97 181.92 1ss6 n GLY 48 N 0.13 1.97 3.87 0.04 0.00 0.12 -5.11 105.19 106.21 1ss6 n GLY 48 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.26 2.40 -0.27 1.61 2.02 0.16 -5.00 118.70 119.35 1ss6 s GLU 49 Ca 0.00 -1.72 -0.17 0.00 0.02 0.00 0.00 54.97 53.11 1ss6 s GLU 49 Cb 0.00 -2.26 -0.03 0.00 0.10 0.00 0.00 34.13 31.94 1ss6 s GLU 49 CO 0.00 -0.33 0.47 0.54 0.02 0.00 0.00 175.26 175.96 1ss6 s VAL 50 N -2.58 5.10 0.11 2.63 0.11 -1.26 -4.10 120.40 120.41 1ss6 s VAL 50 Ca 0.44 0.73 -0.33 0.00 -2.93 0.00 0.00 61.98 59.89 1ss6 s VAL 50 Cb -0.02 -3.80 -0.12 0.00 -1.53 0.00 0.00 36.38 30.91 1ss6 s VAL 50 CO 0.26 0.08 1.72 -2.65 -3.33 0.00 0.00 175.10 171.18 1ss6 n PRO 51 N 5.49 2.39 0.05 1.54 -0.02 -1.26 -4.87 135.00 138.32 1ss6 n PRO 51 Ca -0.06 0.87 0.11 0.00 -2.02 0.00 0.00 63.50 62.41 1ss6 n PRO 51 Cb 0.50 -2.69 0.57 0.00 -0.02 0.00 0.00 33.50 31.86 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 7.29 2.07 -0.38 3.55 0.00 -1.96 0.19 119.26 130.02 1ss6 h ALA 52 Ca -0.46 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.55 1ss6 h ALA 52 Cb 1.24 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 1ss6 h ALA 52 CO 0.92 -0.15 0.30 0.93 0.00 0.00 0.00 179.25 181.25 1ss6 h GLU 53 N 0.22 0.00 -0.04 0.00 4.39 -1.95 0.38 114.58 117.58 1ss6 h GLU 53 Ca 0.17 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.63 1ss6 h GLU 53 Cb 0.39 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1ss6 h GLU 53 CO -0.03 0.00 -0.93 -0.07 -1.16 0.00 0.00 179.01 176.82 1ss6 h LEU 54 N 0.00 0.75 -0.76 1.33 3.38 -1.32 -2.41 115.31 116.28 1ss6 h LEU 54 Ca 0.18 -0.57 -0.10 0.00 0.09 0.00 0.00 57.88 57.48 1ss6 h LEU 54 Cb 0.79 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 1ss6 h LEU 54 CO -0.00 1.37 -0.49 0.03 0.09 0.00 0.00 178.44 179.44 1ss6 h ARG 55 N 0.36 0.00 0.00 1.13 2.47 -1.17 0.20 114.38 117.37 1ss6 h ARG 55 Ca -0.09 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.63 1ss6 h ARG 55 Cb 1.57 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.89 1ss6 h ARG 55 CO 0.18 0.49 0.00 0.54 0.56 0.00 0.00 179.97 181.73 1ss6 n ARG 56 N -3.57 0.90 -0.00 0.04 5.12 0.12 -3.89 116.66 115.38 1ss6 n ARG 56 Ca -0.00 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.88 1ss6 n ARG 56 Cb 0.58 -1.50 -0.01 0.00 -1.16 0.00 0.00 32.46 30.37 1ss6 n ARG 56 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 1ss6 n LEU 57 N -1.01 1.37 -4.82 0.55 -0.00 -0.87 -5.02 117.00 107.20 1ss6 n LEU 57 Ca 0.22 0.20 -0.37 0.00 -0.00 0.00 0.00 56.01 56.06 1ss6 n LEU 57 Cb 0.11 -0.47 -0.07 0.00 -0.00 0.00 0.00 43.42 42.99 1ss6 n LEU 57 CO 0.17 -0.55 -0.12 0.00 -0.00 0.00 0.00 177.39 176.89 1ss6 s ALA 58 N -2.31 3.77 -0.68 1.96 0.00 0.66 -4.99 121.76 120.17 1ss6 s ALA 58 Ca -0.10 -0.57 0.01 0.00 0.00 0.00 0.00 51.96 51.30 1ss6 s ALA 58 Cb 0.02 -2.13 0.17 0.00 0.00 0.00 0.00 23.12 21.18 1ss6 s ALA 58 CO 0.15 0.42 0.49 -1.01 0.00 0.00 0.00 175.76 175.82 1ss6 s HIS 59 N -0.51 3.51 0.00 0.00 3.76 -1.26 -4.40 115.29 116.38 1ss6 s HIS 59 Ca 0.15 -3.06 0.00 0.00 -0.15 0.00 0.00 55.06 52.00 1ss6 s HIS 59 Cb -0.13 -3.00 0.00 0.00 1.11 0.00 0.00 32.58 30.57 1ss6 s HIS 59 CO 0.04 -0.72 0.00 0.41 -0.85 0.00 0.00 174.74 173.62 1ss6 n GLY 60 N 2.74 0.13 0.00 -2.22 0.00 -1.26 -0.01 105.19 104.56 1ss6 n GLY 60 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.09 1.90 3.65 -0.02 0.00 -1.26 -5.02 105.19 103.35 1ss6 n GLY 61 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.13 4.21 -0.29 1.61 0.74 -1.26 -5.00 119.66 119.54 1ss6 s GLN 62 Ca 0.00 1.27 0.01 0.00 0.05 0.00 0.00 55.36 56.68 1ss6 s GLN 62 Cb 0.00 -3.66 0.09 0.00 1.10 0.00 0.00 33.01 30.53 1ss6 s GLN 62 CO 0.00 -0.68 0.04 0.14 -0.55 0.00 0.00 175.29 174.24 1ss6 s VAL 63 N 3.27 1.34 -0.45 1.34 -7.23 -1.26 -1.49 120.40 115.94 1ss6 s VAL 63 Ca 0.44 -1.51 -0.11 0.00 -1.81 0.00 0.00 61.98 58.99 1ss6 s VAL 63 Cb -0.14 -1.89 0.09 0.00 0.56 0.00 0.00 36.38 34.99 1ss6 s VAL 63 CO 0.08 -0.48 0.32 0.21 -0.31 0.00 0.00 175.10 174.92 1ss6 s ASN 64 N 1.41 5.79 -0.21 4.85 3.04 -0.80 -4.99 114.94 124.04 1ss6 s ASN 64 Ca 0.05 -1.54 -0.03 0.00 0.04 0.00 0.00 52.86 51.39 1ss6 s ASN 64 Cb -0.18 -2.05 -0.00 0.00 -1.54 0.00 0.00 41.25 37.48 1ss6 s ASN 64 CO -0.15 -0.60 -0.08 -0.22 -3.04 0.00 0.00 177.10 173.00 1ss6 s LEU 65 N 1.47 2.72 -0.15 3.21 0.20 -1.26 0.13 118.68 125.01 1ss6 s LEU 65 Ca 0.04 -0.44 -0.02 0.00 0.69 0.00 0.00 54.13 54.40 1ss6 s LEU 65 Cb -0.24 -1.67 -0.02 0.00 -0.43 0.00 0.00 46.19 43.83 1ss6 s LEU 65 CO 0.03 -0.00 -0.09 -1.81 -0.29 0.00 0.00 176.35 174.18 1ss6 s ASP 66 N 1.36 4.26 -0.10 3.68 1.01 -0.16 -4.98 116.67 121.74 1ss6 s ASP 66 Ca 0.05 -0.29 -0.20 0.00 0.71 0.00 0.00 52.55 52.81 1ss6 s ASP 66 Cb -0.14 -1.68 -0.04 0.00 1.01 0.00 0.00 42.92 42.08 1ss6 s ASP 66 CO -0.05 0.13 0.57 -0.04 0.21 0.00 0.00 175.17 176.00 1ss6 s MET 67 N 0.55 4.37 0.08 8.23 -1.94 -1.26 -0.55 119.30 128.78 1ss6 s MET 67 Ca -0.06 0.63 0.10 0.00 -1.71 0.00 0.00 55.69 54.64 1ss6 s MET 67 Cb -0.15 -3.45 -0.03 0.00 2.01 0.00 0.00 34.83 33.20 1ss6 s MET 67 CO 0.03 0.09 -0.27 -1.21 -0.01 0.00 0.00 175.02 173.66 1ss6 s GLU 68 N 0.80 1.61 -0.38 2.03 2.02 0.12 -4.98 118.70 119.91 1ss6 s GLU 68 Ca 0.31 -1.21 -0.12 0.00 0.02 0.00 0.00 54.97 53.96 1ss6 s GLU 68 Cb -0.16 -1.93 0.03 0.00 0.10 0.00 0.00 34.13 32.16 1ss6 s GLU 68 CO 0.13 0.48 0.22 0.34 0.02 0.00 0.00 175.26 176.46 1ss6 s ASP 69 N -1.60 5.80 -0.12 -0.19 2.15 -1.26 0.56 116.67 122.01 1ss6 s ASP 69 Ca 0.13 -0.97 0.18 0.00 0.43 0.00 0.00 52.55 52.31 1ss6 s ASP 69 Cb -0.10 -2.05 0.43 0.00 -0.30 0.00 0.00 42.92 40.90 1ss6 s ASP 69 CO 0.04 -0.40 1.20 1.41 -0.17 0.00 0.00 175.17 177.25 1ss6 n HIS 70 N 5.03 0.03 -2.18 -5.34 8.25 0.18 -4.84 115.22 116.35 1ss6 n HIS 70 Ca -0.12 -1.07 -0.38 0.00 -0.26 0.00 0.00 57.72 55.90 1ss6 n HIS 70 Cb 0.46 -0.21 -0.00 0.00 1.12 0.00 0.00 29.99 31.36 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 -1.83 3.71 0.00 -0.41 0.52 0.23 -1.92 118.95 119.25 1ss6 s ARG 71 Ca 0.36 1.88 0.00 0.00 -0.52 0.00 0.00 55.73 57.45 1ss6 s ARG 71 Cb 0.38 -2.44 0.00 0.00 0.52 0.00 0.00 34.95 33.41 1ss6 s ARG 71 CO -0.11 -0.62 0.00 -3.47 0.02 0.00 0.00 175.30 171.12 1ss6 n ASP 72 N -0.47 0.00 0.08 0.23 2.03 -1.26 -4.73 116.55 112.43 1ss6 n ASP 72 Ca 0.07 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.24 1ss6 n ASP 72 Cb 0.47 -0.67 -0.14 0.00 -0.72 0.00 0.00 41.12 40.06 1ss6 n ASP 72 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1ss6 h GLU 73 N 1.11 0.20 -1.08 -0.67 5.08 -1.77 -3.49 114.58 113.96 1ss6 h GLU 73 Ca 0.00 -0.34 0.10 0.00 -1.00 0.00 0.00 59.36 58.12 1ss6 h GLU 73 Cb 0.00 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.32 1ss6 h GLU 73 CO 0.00 1.12 -0.39 -0.25 -1.00 0.00 0.00 179.01 178.49 1ss6 n ASP 74 N -3.45 -2.40 -4.77 1.42 8.00 -1.20 -4.98 116.55 109.16 1ss6 n ASP 74 Ca -0.09 0.46 -0.38 0.00 0.71 0.00 0.00 54.79 55.49 1ss6 n ASP 74 Cb 1.01 -1.49 -0.02 0.00 -0.02 0.00 0.00 41.12 40.61 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 -3.45 2.98 0.00 1.24 5.36 -1.26 -4.87 117.98 117.97 1ss6 s PHE 75 Ca 0.00 1.54 0.00 0.00 -0.96 0.00 0.00 56.93 57.51 1ss6 s PHE 75 Cb 0.00 -3.41 0.00 0.00 -0.34 0.00 0.00 43.02 39.27 1ss6 s PHE 75 CO 0.00 -1.44 0.00 1.55 -1.46 0.00 0.00 175.22 173.87 1ss6 n VAL 76 N -0.11 0.00 -1.16 3.12 3.14 -1.26 -5.13 118.33 116.92 1ss6 n VAL 76 Ca 0.05 0.00 0.14 0.00 -2.96 0.00 0.00 64.34 61.58 1ss6 n VAL 76 Cb 0.47 -0.02 -0.04 0.00 -1.06 0.00 0.00 33.84 33.18 1ss6 n VAL 76 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 1ss6 n LYS 77 N -1.65 -2.29 -0.01 1.45 2.85 -1.26 -4.57 118.16 112.67 1ss6 n LYS 77 Ca 0.00 1.62 -0.13 0.00 -1.05 0.00 0.00 58.31 58.75 1ss6 n LYS 77 Cb 0.00 -2.83 -0.09 0.00 -0.65 0.00 0.00 35.03 31.46 1ss6 n LYS 77 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 177.40 176.00 1ss6 h PRO 78 N -1.17 0.05 0.00 -1.58 0.11 -1.93 -3.42 132.00 124.07 1ss6 h PRO 78 Ca -0.02 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1ss6 h PRO 78 Cb 1.27 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1ss6 h PRO 78 CO 0.02 0.44 0.00 1.63 -0.21 0.00 0.00 178.00 179.88 1ss6 n LYS 79 N -4.85 0.00 0.00 1.05 5.02 -1.26 -2.46 118.16 115.65 1ss6 n LYS 79 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.21 1ss6 n LYS 79 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.24 1ss6 n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ss6 n GLY 80 N 0.00 0.03 0.00 0.72 0.00 -1.26 -5.05 105.19 99.63 1ss6 n GLY 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -2.90 4.61 0.00 -1.03 -5.03 120.51 116.16 1ss6 n ALA 81 Ca 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.30 1ss6 n ALA 81 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1ss6 n ALA 81 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1ss6 s PHE 82 N -0.94 0.06 -0.79 0.00 -0.71 -1.23 -5.10 117.98 109.26 1ss6 s PHE 82 Ca 0.00 -0.25 -0.18 0.00 -1.04 0.00 0.00 56.93 55.45 1ss6 s PHE 82 Cb 0.00 -0.04 0.13 0.00 -1.21 0.00 0.00 43.02 41.91 1ss6 s PHE 82 CO 0.00 -0.40 0.93 -1.59 -1.34 0.00 0.00 175.22 172.82 1ss6 s LYS 83 N -2.36 3.39 0.05 1.99 -2.85 -1.26 -4.21 119.74 114.50 1ss6 s LYS 83 Ca -0.07 -1.65 -0.35 0.00 -1.00 0.00 0.00 55.97 52.90 1ss6 s LYS 83 Cb -0.02 -4.57 -0.14 0.00 -2.06 0.00 0.00 37.83 31.03 1ss6 s LYS 83 CO -0.03 -1.64 1.59 0.00 0.10 0.00 0.00 175.35 175.38 1ss6 n ALA 84 N 6.19 0.52 -2.61 0.59 0.00 -1.26 -4.98 120.51 118.95 1ss6 n ALA 84 Ca 0.10 0.43 -0.20 0.00 0.00 0.00 0.00 53.44 53.76 1ss6 n ALA 84 Cb 0.46 -2.30 -0.02 0.00 0.00 0.00 0.00 19.45 17.60 1ss6 n ALA 84 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1ss6 s PHE 85 N 1.65 3.12 -0.13 0.00 0.08 -1.26 -4.98 117.98 116.46 1ss6 s PHE 85 Ca 0.85 -0.19 -0.01 0.00 0.12 0.00 0.00 56.93 57.70 1ss6 s PHE 85 Cb -0.79 -1.79 0.03 0.00 -0.57 0.00 0.00 43.02 39.90 1ss6 s PHE 85 CO 0.45 0.19 -0.04 0.99 -0.10 0.00 0.00 175.22 176.71 1ss6 s THR 86 N -2.17 0.85 0.00 0.64 2.01 -1.26 -4.93 115.64 110.78 1ss6 s THR 86 Ca 0.40 -0.33 0.00 0.00 0.31 0.00 0.00 61.69 62.08 1ss6 s THR 86 Cb -0.08 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.43 1ss6 s THR 86 CO 0.29 0.21 0.00 0.61 -0.69 0.00 0.00 174.62 175.04 1ss6 n GLY 87 N 4.98 0.01 0.22 4.40 0.00 -1.26 -4.87 105.19 108.66 1ss6 n GLY 87 Ca -0.11 -0.10 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 1ss6 n GLY 87 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ss6 h GLU 88 N 0.00 0.60 0.00 1.61 5.08 -1.92 0.75 114.58 120.71 1ss6 h GLU 88 Ca 0.00 -0.37 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1ss6 h GLU 88 Cb 0.00 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1ss6 h GLU 88 CO 0.00 0.98 0.00 0.41 -1.00 0.00 0.00 179.01 179.40 1ss6 n GLY 89 N 0.23 -1.35 0.04 -3.84 0.00 -1.26 -3.11 105.19 95.90 1ss6 n GLY 89 Ca -0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.71 0.26 0.00 1.61 6.02 -1.00 -4.92 117.38 117.63 1ss6 n GLN 90 Ca 0.05 0.32 0.00 0.00 -0.01 0.00 0.00 57.00 57.37 1ss6 n GLN 90 Cb 0.29 -1.19 0.00 0.00 1.02 0.00 0.00 30.24 30.36 1ss6 n GLN 90 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1ss6 n LYS 91 N -3.54 2.86 0.00 -1.09 2.85 -0.54 -5.04 118.16 113.66 1ss6 n LYS 91 Ca -0.05 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.21 1ss6 n LYS 91 Cb 0.18 -0.66 0.00 0.00 -0.65 0.00 0.00 35.03 33.89 1ss6 n LYS 91 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1ss6 n LEU 92 N -0.71 0.00 0.00 -5.58 0.00 0.15 -4.56 117.00 106.30 1ss6 n LEU 92 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 1ss6 n LEU 92 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.49 1ss6 n LEU 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.00 1ss6 n GLY 93 N 0.00 3.66 1.23 -3.96 0.00 -1.26 -4.76 105.19 100.10 1ss6 n GLY 93 Ca 0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 46.02 45.73 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 3.00 0.25 1.61 3.41 -1.26 -3.81 113.62 116.82 1ss6 n SER 94 Ca 0.00 -2.40 0.13 0.00 -0.26 0.00 0.00 58.87 56.34 1ss6 n SER 94 Cb 0.00 -0.58 0.62 0.00 -0.26 0.00 0.00 64.21 63.98 1ss6 n SER 94 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1ss6 h THR 95 N 0.46 0.40 -2.96 6.66 2.02 -1.96 -3.30 112.91 114.24 1ss6 h THR 95 Ca 0.14 -0.78 -0.61 0.00 0.77 0.00 0.00 66.41 65.93 1ss6 h THR 95 Cb 1.38 1.56 -0.40 0.00 -1.74 0.00 0.00 68.15 68.95 1ss6 h THR 95 CO 0.27 0.13 -0.73 0.00 0.37 0.00 0.00 175.52 175.56 1ss6 s ALA 96 N -3.82 2.47 0.27 6.16 0.00 -1.25 -5.00 121.76 120.59 1ss6 s ALA 96 Ca -0.00 -2.87 -0.03 0.00 0.00 0.00 0.00 51.96 49.06 1ss6 s ALA 96 Cb 0.11 -1.93 0.37 0.00 0.00 0.00 0.00 23.12 21.67 1ss6 s ALA 96 CO 0.59 -2.05 1.92 -1.35 0.00 0.00 0.00 175.76 174.86 1ss6 h PRO 97 N 6.32 1.19 -5.60 0.00 0.11 -1.87 -3.41 132.00 128.74 1ss6 h PRO 97 Ca 0.05 -0.07 -0.68 0.00 0.11 0.00 0.00 66.00 65.41 1ss6 h PRO 97 Cb 0.89 -0.27 -0.30 0.00 0.11 0.00 0.00 31.00 31.43 1ss6 h PRO 97 CO 0.53 0.79 -0.85 -0.65 -0.21 0.00 0.00 178.00 177.61 1ss6 s GLN 98 N -6.04 2.94 -1.49 1.05 -0.21 -1.26 -5.02 119.66 109.64 1ss6 s GLN 98 Ca -0.12 -0.83 -0.11 0.00 0.02 0.00 0.00 55.36 54.31 1ss6 s GLN 98 Cb 0.19 -2.34 -0.05 0.00 1.00 0.00 0.00 33.01 31.81 1ss6 s GLN 98 CO 0.81 0.28 2.62 1.55 -2.12 0.00 0.00 175.29 178.43 1ss6 n VAL 99 N 3.27 3.80 0.11 1.09 3.14 -1.26 -3.39 118.33 125.09 1ss6 n VAL 99 Ca -0.18 -2.60 0.00 0.00 -2.96 0.00 0.00 64.34 58.60 1ss6 n VAL 99 Cb 0.53 -2.57 0.00 0.00 -1.06 0.00 0.00 33.84 30.74 1ss6 n VAL 99 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 1ss6 n LEU 100 N 4.61 -1.97 -4.77 6.55 0.00 -1.26 -5.14 117.00 115.02 1ss6 n LEU 100 Ca 0.66 0.55 -0.37 0.00 0.00 0.00 0.00 56.01 56.85 1ss6 n LEU 100 Cb 0.28 2.04 -0.01 0.00 0.00 0.00 0.00 43.42 45.74 1ss6 n LEU 100 CO 0.87 0.06 0.84 -0.44 0.00 0.00 0.00 177.39 178.72 1ss6 s SER 101 N -2.00 6.24 0.00 1.96 0.01 -1.22 -5.22 113.70 113.47 1ss6 s SER 101 Ca 0.00 2.33 0.00 0.00 1.31 0.00 0.00 55.95 59.59 1ss6 s SER 101 Cb 0.00 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1ss6 s SER 101 CO 0.00 -0.87 0.00 1.07 0.41 0.00 0.00 173.24 173.85