#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ss6 n SER 2 N 0.00 5.22 0.04 1.61 7.64 -1.26 -4.24 113.62 122.63 1ss6 n SER 2 Ca 0.00 -2.64 0.11 0.00 1.01 0.00 0.00 58.87 57.36 1ss6 n SER 2 Cb 0.00 -1.42 -0.07 0.00 -1.01 0.00 0.00 64.21 61.70 1ss6 n SER 2 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1ss6 n GLU 3 N 5.20 0.56 -3.40 1.43 0.28 -1.26 -4.71 120.64 118.74 1ss6 n GLU 3 Ca 0.58 -0.04 -0.45 0.00 -0.16 0.00 0.00 57.16 57.09 1ss6 n GLU 3 Cb 0.30 -1.65 -0.03 0.00 1.43 0.00 0.00 31.44 31.49 1ss6 n GLU 3 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1ss6 s LYS 4 N -3.40 3.46 0.00 3.44 1.02 -1.26 -4.73 119.74 118.27 1ss6 s LYS 4 Ca -0.03 -2.53 0.00 0.00 0.02 0.00 0.00 55.97 53.43 1ss6 s LYS 4 Cb 0.12 -4.31 0.00 0.00 -0.52 0.00 0.00 37.83 33.12 1ss6 s LYS 4 CO 0.85 -1.27 0.00 -2.13 -0.92 0.00 0.00 175.35 171.88 1ss6 n ARG 5 N 3.79 0.00 -1.94 1.68 0.63 -1.26 -5.15 116.66 114.40 1ss6 n ARG 5 Ca 0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.07 1ss6 n ARG 5 Cb 0.45 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.36 1ss6 n ARG 5 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 1ss6 n GLN 6 N -2.10 -4.36 0.00 -0.14 -0.06 -1.26 -4.50 117.38 104.96 1ss6 n GLN 6 Ca 0.00 3.22 0.00 0.00 -2.00 0.00 0.00 57.00 58.22 1ss6 n GLN 6 Cb 0.00 -3.70 0.00 0.00 -4.06 0.00 0.00 30.24 22.48 1ss6 n GLN 6 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 1ss6 n HIS 7 N 1.51 0.00 0.05 3.69 8.25 -1.26 -1.24 115.22 126.22 1ss6 n HIS 7 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.57 1ss6 n HIS 7 Cb 0.00 -0.07 -0.08 0.00 1.12 0.00 0.00 29.99 30.96 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 -0.01 0.44 -2.80 0.41 7.64 -1.26 -4.46 113.62 113.58 1ss6 n SER 8 Ca 0.00 0.17 -0.31 0.00 1.01 0.00 0.00 58.87 59.74 1ss6 n SER 8 Cb 0.17 1.19 -0.04 0.00 -1.01 0.00 0.00 64.21 64.52 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 -2.48 6.95 -2.85 6.43 7.64 -0.37 -4.60 113.62 124.33 1ss6 n SER 9 Ca -0.02 -3.23 -0.35 0.00 1.01 0.00 0.00 58.87 56.27 1ss6 n SER 9 Cb 0.57 -1.26 0.02 0.00 -1.01 0.00 0.00 64.21 62.53 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 1.00 3.31 -1.54 1.43 6.02 -1.26 -5.03 117.38 121.31 1ss6 n GLN 10 Ca 0.53 -4.08 -0.43 0.00 -0.01 0.00 0.00 57.00 53.01 1ss6 n GLN 10 Cb 0.45 -2.28 -0.00 0.00 1.02 0.00 0.00 30.24 29.43 1ss6 n GLN 10 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1ss6 n ASP 11 N -0.45 0.46 -4.15 1.08 5.75 -1.26 -3.83 116.55 114.15 1ss6 n ASP 11 Ca 0.47 1.05 -0.28 0.00 -0.01 0.00 0.00 54.79 56.02 1ss6 n ASP 11 Cb 0.39 -1.23 -0.16 0.00 -1.03 0.00 0.00 41.12 39.08 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 -1.24 1.59 -0.48 2.12 -7.23 -0.70 -5.02 120.40 109.43 1ss6 s VAL 12 Ca 0.62 -0.78 -0.11 0.00 -1.81 0.00 0.00 61.98 59.89 1ss6 s VAL 12 Cb -0.64 -1.37 0.11 0.00 0.56 0.00 0.00 36.38 35.04 1ss6 s VAL 12 CO 0.58 0.45 0.38 -2.28 -0.31 0.00 0.00 175.10 173.92 1ss6 s HIS 13 N 0.18 3.36 -0.24 2.82 2.46 -1.26 -1.74 115.29 120.86 1ss6 s HIS 13 Ca -0.09 -1.64 -0.09 0.00 0.47 0.00 0.00 55.06 53.72 1ss6 s HIS 13 Cb -0.14 -3.49 -0.04 0.00 -0.13 0.00 0.00 32.58 28.78 1ss6 s HIS 13 CO 0.04 -0.97 0.11 0.14 -2.47 0.00 0.00 174.74 171.59 1ss6 s VAL 14 N 1.44 4.76 -0.03 0.89 -7.23 0.97 -4.95 120.40 116.24 1ss6 s VAL 14 Ca 0.05 -0.02 -0.29 0.00 -1.81 0.00 0.00 61.98 59.90 1ss6 s VAL 14 Cb -0.27 -3.22 -0.03 0.00 0.56 0.00 0.00 36.38 33.42 1ss6 s VAL 14 CO 0.01 0.34 0.97 0.54 -0.31 0.00 0.00 175.10 176.64 1ss6 s VAL 15 N 1.38 4.86 -0.23 1.32 0.11 -1.26 -0.05 120.40 126.52 1ss6 s VAL 15 Ca 0.06 2.01 -0.02 0.00 -2.93 0.00 0.00 61.98 61.09 1ss6 s VAL 15 Cb -0.15 -4.30 0.01 0.00 -1.53 0.00 0.00 36.38 30.42 1ss6 s VAL 15 CO 0.05 0.12 -0.07 -0.22 -3.33 0.00 0.00 175.10 171.66 1ss6 s LEU 16 N 1.27 2.95 -0.14 2.54 0.20 0.16 -1.70 118.68 123.97 1ss6 s LEU 16 Ca 0.50 -0.66 -0.06 0.00 0.69 0.00 0.00 54.13 54.59 1ss6 s LEU 16 Cb -0.20 -1.67 -0.04 0.00 -0.43 0.00 0.00 46.19 43.85 1ss6 s LEU 16 CO 0.24 -0.07 0.08 -0.54 -0.29 0.00 0.00 176.35 175.77 1ss6 s LYS 17 N 1.38 3.60 -0.41 1.98 1.02 0.15 0.74 119.74 128.21 1ss6 s LYS 17 Ca 0.03 -0.27 -0.15 0.00 0.02 0.00 0.00 55.97 55.60 1ss6 s LYS 17 Cb -0.15 -3.13 0.02 0.00 -0.52 0.00 0.00 37.83 34.04 1ss6 s LYS 17 CO -0.05 0.54 0.29 -1.17 -0.92 0.00 0.00 175.35 174.04 1ss6 s LEU 18 N -0.38 5.07 0.00 3.17 2.96 0.16 -1.24 118.68 128.41 1ss6 s LEU 18 Ca 0.10 -0.90 0.00 0.00 -0.22 0.00 0.00 54.13 53.11 1ss6 s LEU 18 Cb -0.12 -2.15 0.00 0.00 0.50 0.00 0.00 46.19 44.42 1ss6 s LEU 18 CO 0.02 -0.44 0.00 0.79 -1.32 0.00 0.00 176.35 175.40 1ss6 n TRP 19 N 5.15 -2.25 0.11 5.38 7.02 0.74 -0.53 117.44 133.06 1ss6 n TRP 19 Ca -0.11 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.15 1ss6 n TRP 19 Cb 0.47 0.00 -0.15 0.00 -2.42 0.00 0.00 31.31 29.21 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 0.43 0.02 -0.99 5.09 -1.58 -3.39 116.57 116.15 1ss6 h LYS 20 Ca 0.00 -0.73 -0.35 0.00 0.09 0.00 0.00 60.65 59.66 1ss6 h LYS 20 Cb 0.00 0.27 -0.05 0.00 0.10 0.00 0.00 32.23 32.55 1ss6 h LYS 20 CO 0.00 1.34 -2.12 0.43 -2.09 0.00 0.00 179.45 177.01 1ss6 n SER 21 N -3.62 0.99 0.00 7.07 7.64 -1.26 -5.03 113.62 119.41 1ss6 n SER 21 Ca -0.18 0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1ss6 n SER 21 Cb 1.08 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 64.37 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 1.82 3.56 3.04 0.23 0.00 -1.26 -2.36 105.19 110.21 1ss6 n GLY 22 Ca -0.30 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.23 -0.06 -0.04 1.61 -0.71 0.92 -0.19 117.98 118.28 1ss6 s PHE 23 Ca 0.00 0.14 0.03 0.00 -1.04 0.00 0.00 56.93 56.06 1ss6 s PHE 23 Cb 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 43.02 41.81 1ss6 s PHE 23 CO 0.00 -0.14 -0.14 -1.54 -1.34 0.00 0.00 175.22 172.06 1ss6 s SER 24 N -0.48 1.81 0.19 1.98 1.04 -0.38 0.17 113.70 118.02 1ss6 s SER 24 Ca -0.06 -0.29 0.09 0.00 0.48 0.00 0.00 55.95 56.17 1ss6 s SER 24 Cb -0.04 -0.55 -0.04 0.00 0.10 0.00 0.00 66.02 65.49 1ss6 s SER 24 CO 0.01 0.11 -0.17 -1.48 0.98 0.00 0.00 173.24 172.68 1ss6 s LEU 25 N 0.18 2.49 0.00 2.42 2.34 -1.25 0.32 118.68 125.18 1ss6 s LEU 25 Ca -0.05 -0.92 0.01 0.00 0.06 0.00 0.00 54.13 53.22 1ss6 s LEU 25 Cb -0.11 -0.81 0.03 0.00 -0.56 0.00 0.00 46.19 44.74 1ss6 s LEU 25 CO 0.02 -0.07 0.80 -0.67 -1.06 0.00 0.00 176.35 175.37 1ss6 n ASP 26 N 0.01 0.00 -0.11 1.48 2.03 -0.69 0.16 116.55 119.44 1ss6 n ASP 26 Ca -0.11 0.26 0.12 0.00 0.52 0.00 0.00 54.79 55.58 1ss6 n ASP 26 Cb 0.58 -0.27 0.18 0.00 -0.72 0.00 0.00 41.12 40.89 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 -1.27 0.89 -0.15 1.67 0.23 -1.26 -5.00 115.26 110.36 1ss6 n ASN 27 Ca 0.00 -0.69 0.00 0.00 -0.53 0.00 0.00 54.58 53.36 1ss6 n ASN 27 Cb 0.01 0.40 0.00 0.00 -2.08 0.00 0.00 39.78 38.11 1ss6 n ASN 27 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ss6 n GLY 28 N 1.45 2.68 0.97 4.83 0.00 0.12 -5.14 105.19 110.10 1ss6 n GLY 28 Ca 0.07 -0.78 -0.08 0.00 0.00 0.00 0.00 46.02 45.23 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 1.45 -1.63 1.61 1.02 -1.26 -4.11 120.64 117.72 1ss6 n GLU 29 Ca 0.00 -0.92 -0.45 0.00 -0.02 0.00 0.00 57.16 55.77 1ss6 n GLU 29 Cb 0.00 0.16 -0.04 0.00 -0.02 0.00 0.00 31.44 31.55 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 3.54 -4.22 -4.62 0.00 -1.26 -4.36 117.00 106.08 1ss6 n LEU 30 Ca -0.03 0.66 -0.34 0.00 0.00 0.00 0.00 56.01 56.30 1ss6 n LEU 30 Cb 0.16 -1.47 -0.15 0.00 0.00 0.00 0.00 43.42 41.96 1ss6 n LEU 30 CO 0.09 -0.21 -0.45 -0.13 0.00 0.00 0.00 177.39 176.69 1ss6 s ARG 31 N 5.11 3.18 0.48 1.96 0.52 0.13 -4.83 118.95 125.50 1ss6 s ARG 31 Ca 0.95 -0.73 -0.23 0.00 -0.52 0.00 0.00 55.73 55.20 1ss6 s ARG 31 Cb -0.50 -2.81 -0.07 0.00 0.52 0.00 0.00 34.95 32.09 1ss6 s ARG 31 CO 0.43 -0.21 1.29 -1.12 0.02 0.00 0.00 175.30 175.71 1ss6 s SER 32 N 1.39 5.81 0.47 0.23 0.01 -1.26 -0.06 113.70 120.29 1ss6 s SER 32 Ca 0.05 2.60 0.32 0.00 1.31 0.00 0.00 55.95 60.23 1ss6 s SER 32 Cb -0.14 -2.63 1.45 0.00 0.21 0.00 0.00 66.02 64.92 1ss6 s SER 32 CO -0.08 -1.19 1.95 1.88 0.41 0.00 0.00 173.24 176.22 1ss6 h TYR 33 N 1.95 0.00 -0.08 2.43 0.05 -1.81 -2.74 116.97 116.77 1ss6 h TYR 33 Ca -0.50 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.14 1ss6 h TYR 33 Cb 1.27 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.00 1ss6 h TYR 33 CO 0.50 0.00 -0.57 1.96 -1.05 0.00 0.00 178.16 179.00 1ss6 h GLN 34 N 0.00 0.26 -6.49 4.88 4.20 -1.90 -3.43 115.11 112.63 1ss6 h GLN 34 Ca 0.00 -0.17 -0.53 0.00 0.06 0.00 0.00 58.65 58.01 1ss6 h GLN 34 Cb 0.32 0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.13 1ss6 h GLN 34 CO 0.00 0.76 0.67 0.34 -0.67 0.00 0.00 178.83 179.92 1ss6 s ASP 35 N -6.89 6.95 0.21 1.46 -1.08 -1.03 -4.90 116.67 111.37 1ss6 s ASP 35 Ca -0.04 2.14 0.19 0.00 -0.52 0.00 0.00 52.55 54.31 1ss6 s ASP 35 Cb 0.12 -2.58 0.86 0.00 -1.46 0.00 0.00 42.92 39.87 1ss6 s ASP 35 CO 0.80 -0.58 1.57 -2.65 0.52 0.00 0.00 175.17 174.83 1ss6 n PRO 36 N 4.18 0.12 0.06 4.34 -0.02 -1.26 -1.43 135.00 141.00 1ss6 n PRO 36 Ca 0.11 0.47 -0.06 0.00 -2.02 0.00 0.00 63.50 62.00 1ss6 n PRO 36 Cb 0.44 -1.80 -0.10 0.00 -0.02 0.00 0.00 33.50 32.03 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 1.27 2.55 0.02 -1.95 -3.20 113.55 112.24 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 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 1ss6 h SER 37 CO 0.00 0.93 -0.60 0.78 -1.14 0.00 0.00 176.83 176.79 1ss6 h ASN 38 N 0.00 0.00 -0.03 3.07 2.35 -1.55 -3.18 115.58 116.24 1ss6 h ASN 38 Ca -0.04 -0.04 0.01 0.00 -0.55 0.00 0.00 56.30 55.68 1ss6 h ASN 38 Cb 1.74 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 40.11 1ss6 h ASN 38 CO 0.12 0.02 0.03 0.00 -1.65 0.00 0.00 177.43 175.95 1ss6 h ALA 39 N 2.13 1.68 -0.17 -0.83 0.00 -1.37 -1.23 119.26 119.47 1ss6 h ALA 39 Ca 0.00 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1ss6 h ALA 39 Cb 0.94 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1ss6 h ALA 39 CO 0.00 -0.05 -0.04 0.37 0.00 0.00 0.00 179.25 179.53 1ss6 h GLN 40 N 0.00 0.00 0.89 0.00 -0.00 -1.68 0.27 115.11 114.59 1ss6 h GLN 40 Ca 0.02 -0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.62 1ss6 h GLN 40 Cb 0.08 -0.00 0.01 0.00 0.00 0.00 0.00 27.48 27.57 1ss6 h GLN 40 CO -0.00 0.00 -0.43 0.74 0.00 0.00 0.00 178.83 179.15 1ss6 h PHE 41 N 0.00 -1.10 -0.85 3.99 0.04 -1.47 -2.26 116.94 115.30 1ss6 h PHE 41 Ca 0.08 -0.03 0.18 0.00 2.80 0.00 0.00 57.97 61.00 1ss6 h PHE 41 Cb 0.12 0.37 -0.11 0.00 2.20 0.00 0.00 35.95 38.53 1ss6 h PHE 41 CO -0.19 -0.69 0.38 -0.07 -0.60 0.00 0.00 178.31 177.14 1ss6 h LEU 42 N -1.29 0.36 0.60 1.54 3.38 -1.24 0.26 115.31 118.91 1ss6 h LEU 42 Ca -0.12 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1ss6 h LEU 42 Cb 0.91 0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.76 1ss6 h LEU 42 CO 0.20 0.08 -0.29 -0.08 0.09 0.00 0.00 178.44 178.44 1ss6 h GLU 43 N 0.46 -0.78 -0.85 1.13 4.81 -0.44 0.44 114.58 119.34 1ss6 h GLU 43 Ca 0.50 0.05 0.07 0.00 -0.13 0.00 0.00 59.36 59.85 1ss6 h GLU 43 Cb 0.85 0.18 -0.06 0.00 0.63 0.00 0.00 28.75 30.34 1ss6 h GLU 43 CO -0.46 -0.47 0.52 0.77 -0.73 0.00 0.00 179.01 178.65 1ss6 h SER 44 N -1.04 0.81 -0.05 1.04 0.02 -0.76 0.12 113.55 113.69 1ss6 h SER 44 Ca -0.08 0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.79 1ss6 h SER 44 Cb 0.67 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1ss6 h SER 44 CO 0.14 0.51 -0.28 0.40 -1.14 0.00 0.00 176.83 176.46 1ss6 h ILE 45 N 0.94 1.27 0.00 3.27 2.04 -0.45 0.24 117.51 124.82 1ss6 h ILE 45 Ca 0.38 -1.33 -0.13 0.00 1.00 0.00 0.00 64.86 64.78 1ss6 h ILE 45 Cb 0.20 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 1ss6 h ILE 45 CO -0.18 0.42 -0.60 0.03 0.00 0.00 0.00 178.15 177.82 1ss6 h ARG 46 N 0.44 0.00 0.00 2.37 3.08 0.08 -2.97 114.38 117.38 1ss6 h ARG 46 Ca 0.06 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 1ss6 h ARG 46 Cb 0.71 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 1ss6 h ARG 46 CO 0.05 0.60 -0.19 0.00 -1.07 0.00 0.00 179.97 179.36 1ss6 h ARG 47 N 0.00 0.00 0.00 0.04 2.47 -0.22 -3.47 114.38 113.21 1ss6 h ARG 47 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1ss6 h ARG 47 Cb 1.22 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.54 1ss6 h ARG 47 CO 0.08 0.19 0.00 0.41 0.56 0.00 0.00 179.97 181.21 1ss6 n GLY 48 N 0.50 0.88 3.87 0.04 0.00 -0.62 -5.09 105.19 104.77 1ss6 n GLY 48 Ca 0.01 -0.18 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.46 2.59 -0.23 1.61 2.02 0.75 -5.01 118.70 119.98 1ss6 s GLU 49 Ca 0.00 -1.46 -0.13 0.00 0.02 0.00 0.00 54.97 53.41 1ss6 s GLU 49 Cb 0.00 -2.41 -0.05 0.00 0.10 0.00 0.00 34.13 31.77 1ss6 s GLU 49 CO 0.00 -0.10 0.26 0.54 0.02 0.00 0.00 175.26 175.99 1ss6 s VAL 50 N -2.42 5.29 0.22 2.63 0.11 -1.26 -3.85 120.40 121.12 1ss6 s VAL 50 Ca 0.46 0.40 -0.32 0.00 -2.93 0.00 0.00 61.98 59.59 1ss6 s VAL 50 Cb -0.04 -3.60 -0.13 0.00 -1.53 0.00 0.00 36.38 31.08 1ss6 s VAL 50 CO 0.27 0.30 1.50 -2.65 -3.33 0.00 0.00 175.10 171.19 1ss6 n PRO 51 N 4.42 2.18 0.16 1.54 -0.02 -1.26 -4.86 135.00 137.15 1ss6 n PRO 51 Ca -0.12 0.78 0.16 0.00 -2.02 0.00 0.00 63.50 62.30 1ss6 n PRO 51 Cb 0.52 -2.50 0.74 0.00 -0.02 0.00 0.00 33.50 32.24 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 4.98 2.07 -0.19 3.55 0.00 -1.96 0.19 119.26 127.88 1ss6 h ALA 52 Ca -0.45 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.51 1ss6 h ALA 52 Cb 1.26 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1ss6 h ALA 52 CO 0.81 -0.33 0.16 0.93 0.00 0.00 0.00 179.25 180.83 1ss6 h GLU 53 N 0.00 0.00 0.09 0.00 4.39 -1.92 0.85 114.58 118.00 1ss6 h GLU 53 Ca 0.11 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.52 1ss6 h GLU 53 Cb 0.52 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 1ss6 h GLU 53 CO -0.00 0.00 -1.57 -0.07 -1.16 0.00 0.00 179.01 176.20 1ss6 h LEU 54 N 0.00 0.30 -1.01 1.33 3.38 -1.32 -3.33 115.31 114.67 1ss6 h LEU 54 Ca 0.09 -0.81 -0.09 0.00 0.09 0.00 0.00 57.88 57.17 1ss6 h LEU 54 Cb 0.41 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1ss6 h LEU 54 CO -0.00 1.67 -0.21 -0.09 0.09 0.00 0.00 178.44 179.90 1ss6 h ARG 55 N -0.34 0.46 -1.25 1.13 1.12 -1.26 0.17 114.38 114.41 1ss6 h ARG 55 Ca -0.36 -0.16 -0.19 0.00 -1.11 0.00 0.00 59.98 58.17 1ss6 h ARG 55 Cb 1.75 -0.04 -0.10 0.00 -0.01 0.00 0.00 29.97 31.57 1ss6 h ARG 55 CO 0.01 0.65 0.24 0.54 -3.11 0.00 0.00 179.97 178.30 1ss6 n ARG 56 N -4.15 1.46 0.14 0.20 5.12 0.29 -3.85 116.66 115.88 1ss6 n ARG 56 Ca -0.00 -1.02 0.00 0.00 -1.93 0.00 0.00 57.85 54.90 1ss6 n ARG 56 Cb 0.38 -1.40 0.00 0.00 -1.16 0.00 0.00 32.46 30.27 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 0.24 -0.13 -4.62 0.55 0.00 -0.56 -4.94 117.00 107.54 1ss6 n LEU 57 Ca 0.20 0.48 -0.30 0.00 0.00 0.00 0.00 56.01 56.40 1ss6 n LEU 57 Cb 0.76 0.39 0.19 0.00 0.00 0.00 0.00 43.42 44.76 1ss6 n LEU 57 CO 0.22 -0.79 0.62 0.00 0.00 0.00 0.00 177.39 177.44 1ss6 s ALA 58 N -2.00 0.75 -0.21 1.96 0.00 0.49 -4.89 121.76 117.86 1ss6 s ALA 58 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 51.96 52.12 1ss6 s ALA 58 Cb 0.00 -3.31 0.03 0.00 0.00 0.00 0.00 23.12 19.84 1ss6 s ALA 58 CO 0.00 -3.07 0.94 0.72 0.00 0.00 0.00 175.76 174.36 1ss6 n HIS 59 N -4.40 0.13 -1.50 0.00 8.25 -1.25 -4.75 115.22 111.70 1ss6 n HIS 59 Ca 0.07 -0.45 -0.14 0.00 -0.26 0.00 0.00 57.72 56.93 1ss6 n HIS 59 Cb 0.54 -0.25 -0.06 0.00 1.12 0.00 0.00 29.99 31.34 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 0.34 1.34 0.00 -1.41 0.00 -1.25 -4.96 105.19 99.25 1ss6 n GLY 60 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.19 0.45 3.57 -0.02 0.00 -1.26 -4.85 105.19 101.89 1ss6 n GLY 61 Ca -0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 1ss6 n GLY 61 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ss6 s GLN 62 N 2.72 2.03 -0.60 1.61 0.74 -1.26 -4.88 119.66 120.02 1ss6 s GLN 62 Ca 0.00 -0.54 -0.20 0.00 0.05 0.00 0.00 55.36 54.67 1ss6 s GLN 62 Cb 0.00 -5.07 0.08 0.00 1.10 0.00 0.00 33.01 29.12 1ss6 s GLN 62 CO 0.00 -4.33 0.79 0.14 -0.55 0.00 0.00 175.29 171.34 1ss6 s VAL 63 N 12.96 4.65 -0.18 1.34 -7.23 -1.26 -1.72 120.40 128.96 1ss6 s VAL 63 Ca 0.76 -0.65 0.01 0.00 -1.81 0.00 0.00 61.98 60.29 1ss6 s VAL 63 Cb -0.05 -4.52 0.02 0.00 0.56 0.00 0.00 36.38 32.39 1ss6 s VAL 63 CO 0.11 -1.18 -0.19 0.21 -0.31 0.00 0.00 175.10 173.74 1ss6 s ASN 64 N 3.45 3.19 -0.22 4.85 3.04 -0.71 -4.99 114.94 123.55 1ss6 s ASN 64 Ca 0.16 -0.63 -0.07 0.00 0.04 0.00 0.00 52.86 52.36 1ss6 s ASN 64 Cb -0.20 -1.49 -0.03 0.00 -1.54 0.00 0.00 41.25 37.98 1ss6 s ASN 64 CO 0.09 0.01 0.07 -0.22 -3.04 0.00 0.00 177.10 174.01 1ss6 s LEU 65 N 1.25 3.59 -0.32 3.21 0.20 -1.26 -0.02 118.68 125.33 1ss6 s LEU 65 Ca 0.04 -0.09 -0.08 0.00 0.69 0.00 0.00 54.13 54.68 1ss6 s LEU 65 Cb -0.13 -1.94 0.01 0.00 -0.43 0.00 0.00 46.19 43.70 1ss6 s LEU 65 CO -0.11 0.05 0.13 -0.62 -0.29 0.00 0.00 176.35 175.50 1ss6 s ASP 66 N 1.13 5.39 -0.30 3.68 -1.08 0.93 -4.90 116.67 121.52 1ss6 s ASP 66 Ca 0.04 -0.76 -0.25 0.00 -0.52 0.00 0.00 52.55 51.06 1ss6 s ASP 66 Cb -0.14 -1.94 0.01 0.00 -1.46 0.00 0.00 42.92 39.38 1ss6 s ASP 66 CO 0.03 -0.24 0.89 -0.04 0.52 0.00 0.00 175.17 176.33 1ss6 s MET 67 N 1.53 4.03 -0.03 4.34 -1.94 -1.25 0.39 119.30 126.37 1ss6 s MET 67 Ca 0.03 0.80 0.03 0.00 -1.71 0.00 0.00 55.69 54.83 1ss6 s MET 67 Cb -0.18 -3.72 -0.03 0.00 2.01 0.00 0.00 34.83 32.91 1ss6 s MET 67 CO 0.04 -0.73 -0.09 -2.00 -0.01 0.00 0.00 175.02 172.23 1ss6 s GLU 68 N 3.17 2.56 -0.22 2.03 2.12 0.23 -4.96 118.70 123.63 1ss6 s GLU 68 Ca 0.37 -0.68 -0.08 0.00 0.36 0.00 0.00 54.97 54.93 1ss6 s GLU 68 Cb -0.14 -2.48 -0.04 0.00 0.26 0.00 0.00 34.13 31.74 1ss6 s GLU 68 CO 0.13 0.62 0.10 0.34 -0.54 0.00 0.00 175.26 175.91 1ss6 s ASP 69 N -1.09 5.67 -0.30 -1.70 2.15 -1.26 0.39 116.67 120.52 1ss6 s ASP 69 Ca 0.14 0.01 0.18 0.00 0.43 0.00 0.00 52.55 53.31 1ss6 s ASP 69 Cb -0.11 -2.00 0.46 0.00 -0.30 0.00 0.00 42.92 40.97 1ss6 s ASP 69 CO 0.04 0.08 1.33 1.41 -0.17 0.00 0.00 175.17 177.85 1ss6 n HIS 70 N 4.20 -0.43 -0.11 -5.34 8.25 0.31 -4.89 115.22 117.21 1ss6 n HIS 70 Ca -0.16 -1.94 -0.08 0.00 -0.26 0.00 0.00 57.72 55.28 1ss6 n HIS 70 Cb 0.52 0.68 -0.00 0.00 1.12 0.00 0.00 29.99 32.30 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 1.81 0.47 -0.30 -0.41 3.08 -1.32 -0.86 114.38 116.85 1ss6 h ARG 71 Ca -0.29 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.73 1ss6 h ARG 71 Cb 1.28 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1ss6 h ARG 71 CO -0.00 0.31 0.00 -0.40 -1.07 0.00 0.00 179.97 178.81 1ss6 n ASP 72 N -4.84 1.80 0.01 7.04 5.75 -1.26 -1.85 116.55 123.19 1ss6 n ASP 72 Ca 0.00 -1.92 -0.04 0.00 -0.01 0.00 0.00 54.79 52.82 1ss6 n ASP 72 Cb 0.03 -0.20 -0.11 0.00 -1.03 0.00 0.00 41.12 39.81 1ss6 n ASP 72 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1ss6 h GLU 73 N 2.07 0.00 -1.58 0.11 3.07 -1.53 -3.51 114.58 113.20 1ss6 h GLU 73 Ca 0.00 0.00 0.19 0.00 -0.50 0.00 0.00 59.36 59.05 1ss6 h GLU 73 Cb 0.47 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.33 1ss6 h GLU 73 CO 0.00 0.41 -0.28 -3.47 -1.40 0.00 0.00 179.01 174.27 1ss6 n ASP 74 N -2.98 -4.21 -4.32 1.42 -0.08 -1.14 -4.67 116.55 100.57 1ss6 n ASP 74 Ca -0.13 0.31 -0.36 0.00 -1.51 0.00 0.00 54.79 53.10 1ss6 n ASP 74 Cb 0.95 -2.16 -0.04 0.00 2.34 0.00 0.00 41.12 42.21 1ss6 n ASP 74 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1ss6 n PHE 75 N -2.68 3.15 -2.95 -0.67 7.35 -1.26 -4.85 117.46 115.55 1ss6 n PHE 75 Ca 0.00 -2.03 -0.44 0.00 -0.76 0.00 0.00 57.45 54.23 1ss6 n PHE 75 Cb 0.32 -2.45 -0.01 0.00 0.35 0.00 0.00 39.48 37.69 1ss6 n PHE 75 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1ss6 s VAL 76 N 7.41 4.91 0.47 -2.13 -7.23 -1.26 -4.96 120.40 117.62 1ss6 s VAL 76 Ca 0.61 -2.15 -0.13 0.00 -1.81 0.00 0.00 61.98 58.50 1ss6 s VAL 76 Cb 0.05 -4.84 -0.07 0.00 0.56 0.00 0.00 36.38 32.08 1ss6 s VAL 76 CO 0.10 -1.55 0.88 -1.59 -0.31 0.00 0.00 175.10 172.63 1ss6 s LYS 77 N 2.04 3.82 0.18 4.82 -2.85 -1.26 -4.80 119.74 121.69 1ss6 s LYS 77 Ca 0.37 0.68 -0.10 0.00 -1.00 0.00 0.00 55.97 55.93 1ss6 s LYS 77 Cb -0.04 -2.26 0.06 0.00 -2.06 0.00 0.00 37.83 33.54 1ss6 s LYS 77 CO -0.05 -0.19 1.64 -1.35 0.10 0.00 0.00 175.35 175.50 1ss6 h PRO 78 N 0.92 1.06 0.00 1.78 0.11 -1.95 -0.32 132.00 133.59 1ss6 h PRO 78 Ca -0.47 -0.33 0.00 0.00 0.11 0.00 0.00 66.00 65.31 1ss6 h PRO 78 Cb 1.19 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1ss6 h PRO 78 CO 0.63 1.03 0.00 1.63 -0.21 0.00 0.00 178.00 181.07 1ss6 n LYS 79 N -4.20 0.00 -0.04 1.05 5.02 -1.26 -2.64 118.16 116.09 1ss6 n LYS 79 Ca 0.03 0.57 0.04 0.00 -2.02 0.00 0.00 58.31 56.93 1ss6 n LYS 79 Cb 0.34 -1.37 -0.16 0.00 -0.02 0.00 0.00 35.03 33.81 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 -0.92 -0.96 0.10 0.72 0.00 -1.26 -4.52 105.19 98.34 1ss6 n GLY 80 Ca 0.00 -0.45 -0.20 0.00 0.00 0.00 0.00 46.02 45.37 1ss6 n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ss6 h ALA 81 N 1.62 0.21 -0.41 4.61 0.00 -1.67 -3.48 119.26 120.15 1ss6 h ALA 81 Ca -0.17 -1.06 -0.17 0.00 0.00 0.00 0.00 54.91 53.50 1ss6 h ALA 81 Cb 1.36 0.57 -0.07 0.00 0.00 0.00 0.00 17.79 19.64 1ss6 h ALA 81 CO 0.01 0.60 -0.16 0.34 0.00 0.00 0.00 179.25 180.04 1ss6 n PHE 82 N -4.38 0.00 -3.25 0.00 7.35 -0.15 -4.88 117.46 112.14 1ss6 n PHE 82 Ca -0.27 0.00 -0.25 0.00 -0.76 0.00 0.00 57.45 56.17 1ss6 n PHE 82 Cb 0.68 -2.08 -0.08 0.00 0.35 0.00 0.00 39.48 38.35 1ss6 n PHE 82 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 1ss6 n LYS 83 N -1.63 0.69 -2.03 -4.13 2.85 -1.26 -5.00 118.16 107.66 1ss6 n LYS 83 Ca -0.09 -3.29 -0.42 0.00 -1.05 0.00 0.00 58.31 53.46 1ss6 n LYS 83 Cb 0.42 -1.37 0.00 0.00 -0.65 0.00 0.00 35.03 33.43 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 1.70 5.27 -0.04 0.58 0.00 -1.26 -4.79 120.51 121.98 1ss6 n ALA 84 Ca 0.23 -4.03 -0.10 0.00 0.00 0.00 0.00 53.44 49.55 1ss6 n ALA 84 Cb 0.51 -3.35 0.10 0.00 0.00 0.00 0.00 19.45 16.71 1ss6 n ALA 84 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1ss6 n PHE 85 N 5.57 1.40 -3.59 0.00 -1.74 -1.26 -4.85 117.46 112.98 1ss6 n PHE 85 Ca 0.47 -1.04 -0.16 0.00 -0.56 0.00 0.00 57.45 56.17 1ss6 n PHE 85 Cb 0.39 -0.55 -0.06 0.00 1.52 0.00 0.00 39.48 40.78 1ss6 n PHE 85 CO 0.00 0.00 0.00 -0.08 -0.56 0.00 0.00 176.76 176.12 1ss6 s THR 86 N -1.60 0.02 0.00 1.97 -1.32 -1.26 -5.09 115.64 108.36 1ss6 s THR 86 Ca 0.27 -0.19 0.00 0.00 -1.21 0.00 0.00 61.69 60.56 1ss6 s THR 86 Cb 0.22 -0.90 0.00 0.00 -1.51 0.00 0.00 72.50 70.32 1ss6 s THR 86 CO 0.06 -0.10 0.00 0.61 -2.21 0.00 0.00 174.62 172.97 1ss6 n GLY 87 N 0.84 0.45 0.21 6.08 0.00 -1.26 -5.04 105.19 106.48 1ss6 n GLY 87 Ca -0.19 -0.73 -0.07 0.00 0.00 0.00 0.00 46.02 45.03 1ss6 n GLY 87 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ss6 h GLU 88 N 0.00 -0.44 -2.02 1.61 4.81 -1.99 -3.33 114.58 113.22 1ss6 h GLU 88 Ca 0.00 0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1ss6 h GLU 88 Cb 0.00 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1ss6 h GLU 88 CO 0.00 -0.29 -0.09 0.41 -0.73 0.00 0.00 179.01 178.31 1ss6 n GLY 89 N 0.58 2.47 0.00 1.92 0.00 -1.26 -2.97 105.19 105.94 1ss6 n GLY 89 Ca -0.06 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 1.82 2.73 0.00 1.61 6.02 -1.25 -4.91 117.38 123.40 1ss6 n GLN 90 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 1ss6 n GLN 90 Cb 0.57 -0.74 0.00 0.00 1.02 0.00 0.00 30.24 31.09 1ss6 n GLN 90 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1ss6 n LYS 91 N -1.10 0.00 0.00 -1.09 4.01 -1.16 -4.75 118.16 114.08 1ss6 n LYS 91 Ca 0.00 0.03 0.00 0.00 -0.51 0.00 0.00 58.31 57.83 1ss6 n LYS 91 Cb 0.00 -0.56 0.00 0.00 -0.51 0.00 0.00 35.03 33.96 1ss6 n LYS 91 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1ss6 n LEU 92 N -0.58 0.00 -0.16 -0.35 7.99 -1.26 -0.44 117.00 122.20 1ss6 n LEU 92 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 56.01 56.06 1ss6 n LEU 92 Cb 0.00 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.28 1ss6 n LEU 92 CO 0.00 0.00 0.11 0.61 -1.51 0.00 0.00 177.39 176.60 1ss6 n GLY 93 N 0.00 -0.14 0.24 -0.72 0.00 -1.26 -4.45 105.19 98.86 1ss6 n GLY 93 Ca 0.00 -0.37 0.09 0.00 0.00 0.00 0.00 46.02 45.74 1ss6 n GLY 93 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1ss6 h SER 94 N 0.79 0.00 -0.43 1.61 0.87 -1.05 -2.07 113.55 113.28 1ss6 h SER 94 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1ss6 h SER 94 Cb 0.38 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1ss6 h SER 94 CO 0.00 0.18 0.00 0.35 -0.53 0.00 0.00 176.83 176.83 1ss6 n THR 95 N -3.83 2.49 -3.49 2.23 -2.24 -1.26 -4.89 114.28 103.29 1ss6 n THR 95 Ca -0.02 -1.62 -0.42 0.00 -2.27 0.00 0.00 64.05 59.72 1ss6 n THR 95 Cb 0.28 -0.24 -0.09 0.00 -2.10 0.00 0.00 70.33 68.18 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 -2.74 3.43 -0.26 6.98 0.00 -0.78 -4.94 121.76 123.44 1ss6 s ALA 96 Ca 0.48 -2.08 0.28 0.00 0.00 0.00 0.00 51.96 50.65 1ss6 s ALA 96 Cb 0.38 -2.86 0.98 0.00 0.00 0.00 0.00 23.12 21.61 1ss6 s ALA 96 CO 0.13 -1.66 1.81 -1.35 0.00 0.00 0.00 175.76 174.70 1ss6 h PRO 97 N 8.59 0.00 -3.35 0.00 0.11 -1.90 -3.42 132.00 132.03 1ss6 h PRO 97 Ca -0.26 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 65.49 1ss6 h PRO 97 Cb 1.10 0.00 -0.38 0.00 0.11 0.00 0.00 31.00 31.83 1ss6 h PRO 97 CO 0.81 0.00 -0.74 -0.65 -0.21 0.00 0.00 178.00 177.21 1ss6 s GLN 98 N -3.41 -0.05 0.34 1.05 -1.52 -1.26 -4.98 119.66 109.82 1ss6 s GLN 98 Ca 0.04 0.35 0.22 0.00 -1.95 0.00 0.00 55.36 54.03 1ss6 s GLN 98 Cb 0.09 -0.49 0.20 0.00 -0.22 0.00 0.00 33.01 32.58 1ss6 s GLN 98 CO 0.55 -0.31 1.39 -0.24 -0.25 0.00 0.00 175.29 176.42 1ss6 h VAL 99 N 6.42 0.06 0.04 1.09 3.04 -2.00 -3.34 116.25 121.55 1ss6 h VAL 99 Ca -0.16 -1.10 -0.00 0.00 -1.01 0.00 0.00 66.70 64.43 1ss6 h VAL 99 Cb 1.12 1.86 0.00 0.00 -2.01 0.00 0.00 31.29 32.26 1ss6 h VAL 99 CO 0.19 0.04 -0.02 0.25 -1.01 0.00 0.00 177.57 177.02 1ss6 h LEU 100 N 0.00 -0.04 -7.95 3.16 6.46 -1.99 -3.40 115.31 111.55 1ss6 h LEU 100 Ca -0.00 -0.54 -0.68 0.00 -0.12 0.00 0.00 57.88 56.53 1ss6 h LEU 100 Cb 1.04 0.01 -0.34 0.00 -0.73 0.00 0.00 40.66 40.64 1ss6 h LEU 100 CO 0.00 0.54 -0.66 -0.44 -0.62 0.00 0.00 178.44 177.26 1ss6 s SER 101 N -5.73 4.97 0.00 1.25 0.01 -1.25 -5.28 113.70 107.67 1ss6 s SER 101 Ca -0.16 -1.56 0.27 0.00 1.31 0.00 0.00 55.95 55.81 1ss6 s SER 101 Cb 0.01 -1.73 0.75 0.00 0.21 0.00 0.00 66.02 65.25 1ss6 s SER 101 CO 0.64 -0.35 1.58 0.41 0.41 0.00 0.00 173.24 175.93