#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 1.12 0.00 1.61 0.01 -1.26 -4.92 113.70 110.25 1ss6 s SER 2 Ca 0.00 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.25 1ss6 s SER 2 Cb 0.00 -0.28 0.00 0.00 0.21 0.00 0.00 66.02 65.95 1ss6 s SER 2 CO 0.00 -0.19 0.00 -1.84 0.41 0.00 0.00 173.24 171.62 1ss6 n GLU 3 N 4.91 0.00 -3.18 12.44 0.28 -1.26 -5.08 120.64 128.76 1ss6 n GLU 3 Ca -0.11 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.47 1ss6 n GLU 3 Cb 0.50 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.30 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 -1.19 3.48 0.00 3.44 -0.14 -1.26 -5.00 119.74 119.07 1ss6 s LYS 4 Ca 0.00 -0.23 0.00 0.00 -1.36 0.00 0.00 55.97 54.38 1ss6 s LYS 4 Cb 0.00 -3.87 0.00 0.00 -1.68 0.00 0.00 37.83 32.28 1ss6 s LYS 4 CO 0.00 -0.80 0.96 -2.13 -0.76 0.00 0.00 175.35 172.62 1ss6 n ARG 5 N 5.96 0.00 0.00 1.68 3.00 -1.26 -2.94 116.66 123.10 1ss6 n ARG 5 Ca -0.03 0.84 0.07 0.00 -0.00 0.00 0.00 57.85 58.73 1ss6 n ARG 5 Cb 0.48 -1.46 -0.02 0.00 0.00 0.00 0.00 32.46 31.46 1ss6 n ARG 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1ss6 n GLN 6 N -2.60 1.92 -0.55 -0.14 10.64 -1.26 -4.38 117.38 121.01 1ss6 n GLN 6 Ca 0.00 -0.57 -0.10 0.00 -1.83 0.00 0.00 57.00 54.50 1ss6 n GLN 6 Cb 0.00 -1.21 0.06 0.00 -0.86 0.00 0.00 30.24 28.22 1ss6 n GLN 6 CO 0.00 0.00 0.00 1.58 -1.83 0.00 0.00 177.06 176.81 1ss6 n HIS 7 N -0.46 1.18 -1.24 2.61 -0.00 -1.18 -4.66 115.22 111.46 1ss6 n HIS 7 Ca 0.05 -1.20 -0.36 0.00 0.46 0.00 0.00 57.72 56.67 1ss6 n HIS 7 Cb 0.29 -0.60 -0.02 0.00 -0.12 0.00 0.00 29.99 29.53 1ss6 n HIS 7 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1ss6 n SER 8 N 0.05 5.83 -2.86 0.26 7.64 -1.15 -4.24 113.62 119.15 1ss6 n SER 8 Ca 0.23 -2.59 -0.12 0.00 1.01 0.00 0.00 58.87 57.40 1ss6 n SER 8 Cb 0.85 -1.41 0.03 0.00 -1.01 0.00 0.00 64.21 62.67 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 4.85 0.27 -0.36 6.43 2.88 -1.26 -4.82 113.62 121.61 1ss6 n SER 9 Ca 0.60 -2.91 0.09 0.00 -1.33 0.00 0.00 58.87 55.32 1ss6 n SER 9 Cb 0.27 -0.03 0.27 0.00 -0.75 0.00 0.00 64.21 63.97 1ss6 n SER 9 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1ss6 h GLN 10 N 2.86 0.89 -6.37 -1.46 4.20 -1.90 -3.47 115.11 109.86 1ss6 h GLN 10 Ca -0.05 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1ss6 h GLN 10 Cb 1.11 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.69 1ss6 h GLN 10 CO 0.37 0.59 -0.99 -0.25 -0.67 0.00 0.00 178.83 177.88 1ss6 n ASP 11 N -4.66 -6.57 -4.80 1.46 8.00 -1.26 -4.87 116.55 103.86 1ss6 n ASP 11 Ca 0.20 0.40 -0.38 0.00 0.71 0.00 0.00 54.79 55.72 1ss6 n ASP 11 Cb 0.42 -1.57 -0.06 0.00 -0.02 0.00 0.00 41.12 39.89 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 -0.99 5.03 -0.37 2.53 0.11 -0.02 -4.94 120.40 121.75 1ss6 s VAL 12 Ca -0.00 0.92 -0.04 0.00 -2.93 0.00 0.00 61.98 59.93 1ss6 s VAL 12 Cb 0.00 -3.77 0.08 0.00 -1.53 0.00 0.00 36.38 31.16 1ss6 s VAL 12 CO 0.00 0.50 0.15 -1.00 -3.33 0.00 0.00 175.10 171.42 1ss6 s HIS 13 N -0.57 3.41 -0.15 1.54 3.76 -1.26 -1.59 115.29 120.44 1ss6 s HIS 13 Ca 0.25 -1.96 -0.07 0.00 -0.15 0.00 0.00 55.06 53.14 1ss6 s HIS 13 Cb -0.17 -2.77 -0.04 0.00 1.11 0.00 0.00 32.58 30.72 1ss6 s HIS 13 CO 0.13 -0.87 0.08 0.54 -0.85 0.00 0.00 174.74 173.77 1ss6 s VAL 14 N 1.27 4.97 -0.23 -0.90 0.11 0.25 -4.97 120.40 120.90 1ss6 s VAL 14 Ca 0.02 0.02 -0.19 0.00 -2.93 0.00 0.00 61.98 58.91 1ss6 s VAL 14 Cb -0.22 -3.20 -0.03 0.00 -1.53 0.00 0.00 36.38 31.40 1ss6 s VAL 14 CO -0.01 0.52 0.54 -0.69 -3.33 0.00 0.00 175.10 172.13 1ss6 s VAL 15 N -0.21 5.07 -0.13 2.04 1.01 -1.26 -1.19 120.40 125.73 1ss6 s VAL 15 Ca 0.09 0.96 -0.01 0.00 0.00 0.00 0.00 61.98 63.01 1ss6 s VAL 15 Cb -0.12 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 1ss6 s VAL 15 CO 0.01 0.12 -0.08 -0.22 0.00 0.00 0.00 175.10 174.93 1ss6 s LEU 16 N 2.00 3.04 0.04 3.92 0.20 0.10 -3.78 118.68 124.21 1ss6 s LEU 16 Ca 0.24 -0.18 0.09 0.00 0.69 0.00 0.00 54.13 54.97 1ss6 s LEU 16 Cb -0.16 -1.70 -0.03 0.00 -0.43 0.00 0.00 46.19 43.88 1ss6 s LEU 16 CO 0.09 0.21 -0.25 -0.54 -0.29 0.00 0.00 176.35 175.57 1ss6 s LYS 17 N 0.08 1.85 -0.07 1.98 1.02 -0.45 0.17 119.74 124.33 1ss6 s LYS 17 Ca -0.03 -1.09 -0.07 0.00 0.02 0.00 0.00 55.97 54.81 1ss6 s LYS 17 Cb -0.14 -2.01 -0.04 0.00 -0.52 0.00 0.00 37.83 35.12 1ss6 s LYS 17 CO 0.03 0.52 0.19 -0.51 -0.92 0.00 0.00 175.35 174.66 1ss6 s LEU 18 N -1.23 4.39 0.00 3.17 1.43 0.72 -1.24 118.68 125.92 1ss6 s LEU 18 Ca 0.12 0.51 0.01 0.00 -1.03 0.00 0.00 54.13 53.74 1ss6 s LEU 18 Cb -0.10 -2.30 -0.00 0.00 0.03 0.00 0.00 46.19 43.82 1ss6 s LEU 18 CO 0.02 0.35 0.05 0.79 0.23 0.00 0.00 176.35 177.79 1ss6 n TRP 19 N 1.67 0.07 0.05 0.29 7.02 0.24 -0.39 117.44 126.39 1ss6 n TRP 19 Ca -0.17 -0.90 -0.15 0.00 -1.02 0.00 0.00 57.50 55.26 1ss6 n TRP 19 Cb 0.54 -0.01 -0.06 0.00 -2.42 0.00 0.00 31.31 29.36 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 0.54 0.06 -0.99 5.09 -1.86 -3.36 116.57 116.05 1ss6 h LYS 20 Ca -0.11 -0.54 -0.24 0.00 0.09 0.00 0.00 60.65 59.85 1ss6 h LYS 20 Cb 0.42 0.14 -0.02 0.00 0.10 0.00 0.00 32.23 32.88 1ss6 h LYS 20 CO 0.18 1.17 -1.26 0.77 -2.09 0.00 0.00 179.45 178.21 1ss6 h SER 21 N 0.32 0.19 0.00 7.07 0.02 -1.96 -3.46 113.55 115.72 1ss6 h SER 21 Ca -0.08 -0.74 0.00 0.00 -0.84 0.00 0.00 61.79 60.13 1ss6 h SER 21 Cb 1.56 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 64.04 1ss6 h SER 21 CO 0.17 1.53 0.00 0.61 -1.14 0.00 0.00 176.83 178.00 1ss6 n GLY 22 N 1.63 2.70 3.17 -3.77 0.00 -1.25 -0.88 105.19 106.80 1ss6 n GLY 22 Ca -0.27 0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 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 0.95 0.11 0.04 1.61 -0.71 0.06 0.80 117.98 120.84 1ss6 s PHE 23 Ca 0.00 -0.39 0.07 0.00 -1.04 0.00 0.00 56.93 55.57 1ss6 s PHE 23 Cb 0.00 -0.06 -0.02 0.00 -1.21 0.00 0.00 43.02 41.72 1ss6 s PHE 23 CO 0.00 -0.44 -0.20 -1.54 -1.34 0.00 0.00 175.22 171.70 1ss6 s SER 24 N -2.26 2.36 0.00 1.98 1.04 -0.37 -0.06 113.70 116.39 1ss6 s SER 24 Ca -0.03 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 55.90 1ss6 s SER 24 Cb 0.00 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.92 1ss6 s SER 24 CO -0.05 0.15 0.00 0.18 0.98 0.00 0.00 173.24 174.50 1ss6 n LEU 25 N 1.92 0.00 0.01 2.42 4.32 -0.80 -1.34 117.00 123.53 1ss6 n LEU 25 Ca -0.17 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 55.74 1ss6 n LEU 25 Cb 0.53 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.20 1ss6 n LEU 25 CO 0.23 -0.01 -0.24 -0.78 -1.22 0.00 0.00 177.39 175.37 1ss6 h ASP 26 N 0.00 0.00 1.11 -1.43 3.58 -1.93 -3.35 116.42 114.40 1ss6 h ASP 26 Ca 0.00 -0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.31 1ss6 h ASP 26 Cb 0.00 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 1ss6 h ASP 26 CO 0.00 1.01 -0.63 -0.55 -2.88 0.00 0.00 179.24 176.19 1ss6 h ASN 27 N 0.00 0.00 -5.20 2.28 7.08 -1.93 -3.48 115.58 114.33 1ss6 h ASN 27 Ca -0.17 0.00 -0.05 0.00 -3.08 0.00 0.00 56.30 53.00 1ss6 h ASN 27 Cb 1.91 0.00 -0.10 0.00 -2.08 0.00 0.00 38.32 38.05 1ss6 h ASN 27 CO 0.10 0.63 -0.10 -0.83 -2.08 0.00 0.00 177.43 175.15 1ss6 s GLY 28 N -4.51 0.35 0.00 9.14 0.00 -1.26 -5.17 107.32 105.87 1ss6 s GLY 28 Ca 0.02 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.04 1ss6 s GLY 28 CO 0.76 -0.55 0.00 1.18 0.00 0.00 0.00 173.10 174.49 1ss6 n GLU 29 N -0.35 0.45 -1.80 2.90 1.02 -1.26 -1.91 120.64 119.69 1ss6 n GLU 29 Ca -0.05 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.67 1ss6 n GLU 29 Cb 0.62 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 32.01 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 4.01 -0.17 -4.62 0.20 -1.26 -4.16 118.68 112.69 1ss6 s LEU 30 Ca 0.00 2.14 -0.04 0.00 0.69 0.00 0.00 54.13 56.92 1ss6 s LEU 30 Cb 0.00 -3.53 -0.03 0.00 -0.43 0.00 0.00 46.19 42.21 1ss6 s LEU 30 CO 0.00 -1.34 -0.02 -0.13 -0.29 0.00 0.00 176.35 174.56 1ss6 s ARG 31 N 5.00 3.66 0.22 1.98 0.52 0.91 -4.86 118.95 126.37 1ss6 s ARG 31 Ca 0.86 -0.51 -0.30 0.00 -0.52 0.00 0.00 55.73 55.26 1ss6 s ARG 31 Cb -0.34 -2.98 -0.08 0.00 0.52 0.00 0.00 34.95 32.06 1ss6 s ARG 31 CO 0.35 0.16 1.13 -1.12 0.02 0.00 0.00 175.30 175.85 1ss6 s SER 32 N 0.59 7.20 0.56 0.23 0.01 -1.26 -0.76 113.70 120.27 1ss6 s SER 32 Ca -0.02 2.20 0.28 0.00 1.31 0.00 0.00 55.95 59.73 1ss6 s SER 32 Cb -0.14 -2.61 1.48 0.00 0.21 0.00 0.00 66.02 64.95 1ss6 s SER 32 CO 0.02 -0.25 1.95 1.88 0.41 0.00 0.00 173.24 177.26 1ss6 h TYR 33 N 4.70 0.00 -0.00 2.43 0.05 -1.34 0.36 116.97 123.17 1ss6 h TYR 33 Ca -0.45 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.20 1ss6 h TYR 33 Cb 1.21 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.93 1ss6 h TYR 33 CO 0.61 0.00 -0.61 1.96 -1.05 0.00 0.00 178.16 179.07 1ss6 h GLN 34 N 0.00 0.02 -6.53 4.88 4.20 -1.91 -3.42 115.11 112.35 1ss6 h GLN 34 Ca 0.24 -0.01 -0.55 0.00 0.06 0.00 0.00 58.65 58.39 1ss6 h GLN 34 Cb 1.13 0.00 0.05 0.00 0.30 0.00 0.00 27.48 28.96 1ss6 h GLN 34 CO -0.00 0.62 1.00 -3.47 -0.67 0.00 0.00 178.83 176.31 1ss6 n ASP 35 N -3.82 3.75 0.00 1.46 2.03 0.11 -4.87 116.55 115.22 1ss6 n ASP 35 Ca -0.01 1.03 0.08 0.00 0.52 0.00 0.00 54.79 56.41 1ss6 n ASP 35 Cb 0.61 -1.51 0.43 0.00 -0.72 0.00 0.00 41.12 39.93 1ss6 n ASP 35 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1ss6 n PRO 36 N 4.67 0.27 -0.00 -0.67 -0.02 -1.26 -2.09 135.00 135.89 1ss6 n PRO 36 Ca 0.18 0.11 -0.16 0.00 -2.02 0.00 0.00 63.50 61.61 1ss6 n PRO 36 Cb 0.34 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.18 1ss6 n PRO 36 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1ss6 n SER 37 N -1.25 1.56 0.13 2.55 2.88 -1.26 -3.90 113.62 114.33 1ss6 n SER 37 Ca 0.08 0.31 0.12 0.00 -1.33 0.00 0.00 58.87 58.05 1ss6 n SER 37 Cb 0.12 -0.51 0.11 0.00 -0.75 0.00 0.00 64.21 63.19 1ss6 n SER 37 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ss6 h ASN 38 N 0.04 0.00 -0.94 -3.46 7.08 -1.85 -3.20 115.58 113.25 1ss6 h ASN 38 Ca -0.36 -0.05 0.24 0.00 -3.08 0.00 0.00 56.30 53.06 1ss6 h ASN 38 Cb 2.03 0.00 -0.06 0.00 -2.08 0.00 0.00 38.32 38.21 1ss6 h ASN 38 CO 0.09 0.02 0.64 0.00 -2.08 0.00 0.00 177.43 176.10 1ss6 h ALA 39 N 2.15 2.53 -0.08 4.14 0.00 -1.54 0.44 119.26 126.90 1ss6 h ALA 39 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1ss6 h ALA 39 Cb 0.93 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 1ss6 h ALA 39 CO 0.00 -0.82 -0.26 0.37 0.00 0.00 0.00 179.25 178.53 1ss6 h GLN 40 N 0.21 -0.34 0.55 0.00 4.15 -1.69 -2.04 115.11 115.95 1ss6 h GLN 40 Ca 0.48 0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.90 1ss6 h GLN 40 Cb 1.51 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 29.26 1ss6 h GLN 40 CO -0.12 -0.23 -0.44 0.74 -1.93 0.00 0.00 178.83 176.85 1ss6 h PHE 41 N -0.36 -1.20 -0.41 3.99 0.04 -1.14 -2.03 116.94 115.83 1ss6 h PHE 41 Ca 0.09 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.89 1ss6 h PHE 41 Cb 0.48 0.45 -0.05 0.00 2.20 0.00 0.00 35.95 39.04 1ss6 h PHE 41 CO -0.34 -0.63 -0.24 -0.07 -0.60 0.00 0.00 178.31 176.43 1ss6 h LEU 42 N -0.98 -0.89 0.02 1.54 4.07 -1.18 0.42 115.31 118.32 1ss6 h LEU 42 Ca -0.06 0.14 -0.00 0.00 0.08 0.00 0.00 57.88 58.03 1ss6 h LEU 42 Cb 0.83 0.39 0.00 0.00 1.08 0.00 0.00 40.66 42.96 1ss6 h LEU 42 CO -0.00 -0.09 -0.01 -0.33 -1.08 0.00 0.00 178.44 176.93 1ss6 h GLU 43 N -0.00 -0.02 -0.69 1.13 4.39 -1.41 -1.77 114.58 116.21 1ss6 h GLU 43 Ca 0.07 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 1ss6 h GLU 43 Cb 0.17 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 1ss6 h GLU 43 CO -0.38 0.12 0.35 0.77 -1.16 0.00 0.00 179.01 178.70 1ss6 h SER 44 N -0.16 0.87 -0.38 1.42 0.02 -0.89 0.21 113.55 114.65 1ss6 h SER 44 Ca -0.00 -0.08 -0.16 0.00 -0.84 0.00 0.00 61.79 60.70 1ss6 h SER 44 Cb 0.15 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.46 1ss6 h SER 44 CO 0.00 0.73 -0.40 0.40 -1.14 0.00 0.00 176.83 176.42 1ss6 h ILE 45 N 0.97 1.27 0.00 3.27 2.04 0.01 0.46 117.51 125.53 1ss6 h ILE 45 Ca 0.24 -1.57 -0.14 0.00 1.00 0.00 0.00 64.86 64.39 1ss6 h ILE 45 Cb 0.07 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 1ss6 h ILE 45 CO -0.03 0.53 -0.67 0.08 0.00 0.00 0.00 178.15 178.06 1ss6 h ARG 46 N 0.77 0.00 -0.30 2.37 0.11 -0.98 -3.03 114.38 113.32 1ss6 h ARG 46 Ca 0.06 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.98 1ss6 h ARG 46 Cb 1.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.07 1ss6 h ARG 46 CO 0.10 0.67 -0.46 0.00 0.10 0.00 0.00 179.97 180.38 1ss6 h ARG 47 N 0.00 0.78 0.00 0.08 2.47 -0.75 -3.47 114.38 113.50 1ss6 h ARG 47 Ca -0.01 -0.44 0.00 0.00 -1.26 0.00 0.00 59.98 58.27 1ss6 h ARG 47 Cb 1.20 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.55 1ss6 h ARG 47 CO 0.09 1.07 0.00 0.41 0.56 0.00 0.00 179.97 182.10 1ss6 n GLY 48 N 0.18 1.39 3.62 0.04 0.00 -0.15 -5.09 105.19 105.18 1ss6 n GLY 48 Ca -0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 1ss6 n GLY 48 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ss6 n GLU 49 N -0.33 -0.63 -4.80 1.61 1.02 0.14 -4.99 120.64 112.67 1ss6 n GLU 49 Ca 0.00 -2.24 -0.33 0.00 -0.02 0.00 0.00 57.16 54.57 1ss6 n GLU 49 Cb 0.00 -0.94 -0.14 0.00 -0.02 0.00 0.00 31.44 30.33 1ss6 n GLU 49 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1ss6 s VAL 50 N -3.29 3.00 0.13 2.62 1.01 -1.26 -4.29 120.40 118.31 1ss6 s VAL 50 Ca 0.66 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 1ss6 s VAL 50 Cb -0.03 -2.26 -0.07 0.00 0.00 0.00 0.00 36.38 34.03 1ss6 s VAL 50 CO 0.45 0.53 1.22 -2.84 0.00 0.00 0.00 175.10 174.45 1ss6 s PRO 51 N 0.35 4.45 0.49 2.72 0.02 -1.26 -4.93 135.00 136.85 1ss6 s PRO 51 Ca -0.11 1.85 0.16 0.00 0.02 0.00 0.00 61.00 62.91 1ss6 s PRO 51 Cb -0.16 -3.28 1.17 0.00 0.02 0.00 0.00 34.50 32.25 1ss6 s PRO 51 CO 0.06 -0.19 2.09 0.00 -0.33 0.00 0.00 177.00 178.63 1ss6 h ALA 52 N 6.02 1.88 -0.66 -1.55 0.00 -1.97 -0.42 119.26 122.56 1ss6 h ALA 52 Ca -0.43 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.49 1ss6 h ALA 52 Cb 1.21 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.93 1ss6 h ALA 52 CO 0.78 0.09 0.33 0.93 0.00 0.00 0.00 179.25 181.38 1ss6 h GLU 53 N 0.00 0.57 0.08 0.00 3.07 -1.94 0.38 114.58 116.74 1ss6 h GLU 53 Ca -0.00 -0.03 -0.30 0.00 -0.50 0.00 0.00 59.36 58.52 1ss6 h GLU 53 Cb 0.13 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 1ss6 h GLU 53 CO 0.01 0.38 -1.60 -0.07 -1.40 0.00 0.00 179.01 176.33 1ss6 h LEU 54 N 0.59 0.27 -0.79 1.33 3.38 -1.62 -2.76 115.31 115.71 1ss6 h LEU 54 Ca 0.32 -0.43 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1ss6 h LEU 54 Cb 0.29 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1ss6 h LEU 54 CO -0.24 1.37 0.42 -0.09 0.09 0.00 0.00 178.44 179.99 1ss6 h ARG 55 N 0.05 1.10 -0.41 1.13 9.65 -0.92 0.20 114.38 125.18 1ss6 h ARG 55 Ca -0.26 -0.14 0.00 0.00 -1.10 0.00 0.00 59.98 58.48 1ss6 h ARG 55 Cb 2.00 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 30.37 1ss6 h ARG 55 CO 0.13 0.83 0.00 -2.13 2.80 0.00 0.00 179.97 181.60 1ss6 n ARG 56 N -4.41 1.67 -0.08 0.20 3.00 0.13 -2.27 116.66 114.90 1ss6 n ARG 56 Ca 0.07 -0.79 -0.09 0.00 -0.00 0.00 0.00 57.85 57.05 1ss6 n ARG 56 Cb 0.10 -1.33 -0.09 0.00 0.00 0.00 0.00 32.46 31.14 1ss6 n ARG 56 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1ss6 n LEU 57 N 0.13 1.35 -4.90 6.15 7.94 -0.01 -4.82 117.00 122.83 1ss6 n LEU 57 Ca 0.07 -0.04 -0.29 0.00 -1.11 0.00 0.00 56.01 54.64 1ss6 n LEU 57 Cb 0.28 -0.09 0.15 0.00 0.53 0.00 0.00 43.42 44.29 1ss6 n LEU 57 CO 0.06 0.54 0.83 0.00 -1.11 0.00 0.00 177.39 177.71 1ss6 s ALA 58 N -2.34 2.34 -1.17 1.96 0.00 0.50 -4.71 121.76 118.35 1ss6 s ALA 58 Ca -0.14 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 50.87 1ss6 s ALA 58 Cb 0.05 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1ss6 s ALA 58 CO 0.48 -2.16 0.45 -2.39 0.00 0.00 0.00 175.76 172.14 1ss6 n HIS 59 N -3.62 0.00 -2.57 0.00 1.44 -1.26 -4.66 115.22 104.56 1ss6 n HIS 59 Ca 0.12 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.80 1ss6 n HIS 59 Cb 0.60 -0.06 0.01 0.00 0.12 0.00 0.00 29.99 30.66 1ss6 n HIS 59 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1ss6 n GLY 60 N 0.14 0.68 0.00 -1.39 0.00 -0.96 -4.99 105.19 98.67 1ss6 n GLY 60 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.76 4.47 3.48 -0.02 0.00 -1.26 -5.06 105.19 106.03 1ss6 n GLY 61 Ca -0.01 -0.55 -0.48 0.00 0.00 0.00 0.00 46.02 44.99 1ss6 n GLY 61 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ss6 n GLN 62 N 0.00 1.18 -3.61 1.61 7.27 -1.26 -4.91 117.38 117.67 1ss6 n GLN 62 Ca 0.00 0.30 -0.28 0.00 0.07 0.00 0.00 57.00 57.08 1ss6 n GLN 62 Cb 0.00 -2.64 -0.16 0.00 2.41 0.00 0.00 30.24 29.85 1ss6 n GLN 62 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1ss6 s VAL 63 N 7.99 0.12 0.11 1.69 0.11 -1.26 -0.84 120.40 128.32 1ss6 s VAL 63 Ca 1.08 -0.66 0.02 0.00 -2.93 0.00 0.00 61.98 59.50 1ss6 s VAL 63 Cb -0.72 -0.97 -0.04 0.00 -1.53 0.00 0.00 36.38 33.12 1ss6 s VAL 63 CO 0.45 -0.54 -0.07 0.21 -3.33 0.00 0.00 175.10 171.81 1ss6 s ASN 64 N 2.02 1.28 0.18 3.54 3.04 -0.62 -5.00 114.94 119.38 1ss6 s ASN 64 Ca 0.06 -1.01 0.01 0.00 0.04 0.00 0.00 52.86 51.96 1ss6 s ASN 64 Cb -0.16 0.07 -0.05 0.00 -1.54 0.00 0.00 41.25 39.57 1ss6 s ASN 64 CO -0.24 -0.44 0.02 -1.48 -3.04 0.00 0.00 177.10 171.92 1ss6 s LEU 65 N -3.07 1.99 -0.01 3.21 2.34 -1.26 -0.58 118.68 121.30 1ss6 s LEU 65 Ca 0.13 -1.21 0.05 0.00 0.06 0.00 0.00 54.13 53.16 1ss6 s LEU 65 Cb 0.05 0.01 -0.01 0.00 -0.56 0.00 0.00 46.19 45.67 1ss6 s LEU 65 CO -0.03 -0.61 -0.17 -1.81 -1.06 0.00 0.00 176.35 172.66 1ss6 s ASP 66 N -3.18 1.97 -0.20 1.48 1.11 -0.33 -4.91 116.67 112.61 1ss6 s ASP 66 Ca 0.26 -0.33 -0.04 0.00 0.18 0.00 0.00 52.55 52.62 1ss6 s ASP 66 Cb 0.06 -0.21 -0.02 0.00 1.07 0.00 0.00 42.92 43.83 1ss6 s ASP 66 CO 0.05 0.19 -0.04 -0.04 1.18 0.00 0.00 175.17 176.52 1ss6 s MET 67 N -0.50 3.48 0.18 8.23 -1.94 -1.26 0.02 119.30 127.52 1ss6 s MET 67 Ca 0.06 -0.59 0.05 0.00 -1.71 0.00 0.00 55.69 53.51 1ss6 s MET 67 Cb -0.07 -2.99 -0.04 0.00 2.01 0.00 0.00 34.83 33.74 1ss6 s MET 67 CO -0.00 -0.06 0.17 -1.21 -0.01 0.00 0.00 175.02 173.91 1ss6 s GLU 68 N 1.13 2.99 -0.27 2.03 2.02 0.13 -5.00 118.70 121.73 1ss6 s GLU 68 Ca 0.02 -0.87 -0.05 0.00 0.02 0.00 0.00 54.97 54.09 1ss6 s GLU 68 Cb -0.15 -2.68 0.01 0.00 0.10 0.00 0.00 34.13 31.42 1ss6 s GLU 68 CO -0.00 0.47 0.03 0.34 0.02 0.00 0.00 175.26 176.12 1ss6 s ASP 69 N -3.29 4.84 -0.27 -0.19 2.15 -1.26 -0.20 116.67 118.45 1ss6 s ASP 69 Ca 0.32 -0.68 0.21 0.00 0.43 0.00 0.00 52.55 52.83 1ss6 s ASP 69 Cb -0.10 -1.81 0.50 0.00 -0.30 0.00 0.00 42.92 41.21 1ss6 s ASP 69 CO 0.24 -0.15 1.10 1.41 -0.17 0.00 0.00 175.17 177.61 1ss6 n HIS 70 N 4.81 1.36 -2.48 -5.34 8.25 0.47 -4.88 115.22 117.41 1ss6 n HIS 70 Ca -0.15 -2.20 -0.40 0.00 -0.26 0.00 0.00 57.72 54.70 1ss6 n HIS 70 Cb 0.48 -0.25 -0.04 0.00 1.12 0.00 0.00 29.99 31.30 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 -3.74 4.63 0.00 -0.41 0.52 -0.92 -1.76 118.95 117.27 1ss6 s ARG 71 Ca 0.29 1.79 0.00 0.00 -0.52 0.00 0.00 55.73 57.28 1ss6 s ARG 71 Cb 0.34 -3.21 0.00 0.00 0.52 0.00 0.00 34.95 32.60 1ss6 s ARG 71 CO -0.03 0.18 0.00 -3.47 0.02 0.00 0.00 175.30 172.00 1ss6 n ASP 72 N 1.47 0.00 0.03 0.23 2.03 -1.26 -4.75 116.55 114.30 1ss6 n ASP 72 Ca -0.00 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.22 1ss6 n ASP 72 Cb 0.45 -0.63 -0.13 0.00 -0.72 0.00 0.00 41.12 40.09 1ss6 n ASP 72 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1ss6 h GLU 73 N 1.92 0.03 -0.17 -0.67 4.57 -1.70 -3.48 114.58 115.09 1ss6 h GLU 73 Ca 0.00 -0.06 0.01 0.00 -1.18 0.00 0.00 59.36 58.13 1ss6 h GLU 73 Cb 0.00 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 1ss6 h GLU 73 CO 0.00 0.83 -0.06 -0.25 -1.18 0.00 0.00 179.01 178.36 1ss6 n ASP 74 N -3.25 -0.38 -4.68 1.04 8.00 -1.23 -4.93 116.55 111.12 1ss6 n ASP 74 Ca -0.08 0.08 -0.42 0.00 0.71 0.00 0.00 54.79 55.07 1ss6 n ASP 74 Cb 0.99 0.08 -0.03 0.00 -0.02 0.00 0.00 41.12 42.14 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 -3.39 1.77 -0.28 1.24 5.36 -1.26 -4.99 117.98 116.44 1ss6 s PHE 75 Ca 0.00 -0.19 0.00 0.00 -0.96 0.00 0.00 56.93 55.78 1ss6 s PHE 75 Cb 0.00 -4.19 0.14 0.00 -0.34 0.00 0.00 43.02 38.63 1ss6 s PHE 75 CO 0.00 -5.10 0.36 0.14 -1.46 0.00 0.00 175.22 169.16 1ss6 s VAL 76 N 3.53 -0.55 0.00 3.12 -7.23 -1.26 -5.04 120.40 112.98 1ss6 s VAL 76 Ca 0.84 -0.30 0.00 0.00 -1.81 0.00 0.00 61.98 60.71 1ss6 s VAL 76 Cb -0.44 -0.94 0.00 0.00 0.56 0.00 0.00 36.38 35.56 1ss6 s VAL 76 CO 0.38 -0.30 0.00 1.17 -0.31 0.00 0.00 175.10 176.04 1ss6 n LYS 77 N 5.34 0.00 0.00 4.82 4.81 -1.23 -4.48 118.16 127.42 1ss6 n LYS 77 Ca -0.01 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.44 1ss6 n LYS 77 Cb 0.49 0.00 0.09 0.00 0.02 0.00 0.00 35.03 35.62 1ss6 n LYS 77 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1ss6 n PRO 78 N -1.22 0.59 -0.64 1.64 -0.02 -1.26 -3.58 135.00 130.51 1ss6 n PRO 78 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.36 1ss6 n PRO 78 Cb 0.00 -1.08 0.08 0.00 -0.02 0.00 0.00 33.50 32.48 1ss6 n PRO 78 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1ss6 n LYS 79 N -0.58 1.64 0.00 -0.52 2.85 -1.26 -4.90 118.16 115.39 1ss6 n LYS 79 Ca 0.02 -1.48 0.00 0.00 -1.05 0.00 0.00 58.31 55.81 1ss6 n LYS 79 Cb 0.01 -1.58 0.00 0.00 -0.65 0.00 0.00 35.03 32.81 1ss6 n LYS 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1ss6 n GLY 80 N -0.21 1.52 0.30 2.58 0.00 -1.25 -4.69 105.19 103.44 1ss6 n GLY 80 Ca 0.29 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 -0.80 -2.19 4.61 0.00 -1.90 -3.45 119.26 115.53 1ss6 h ALA 81 Ca 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1ss6 h ALA 81 Cb 0.00 0.78 -0.21 0.00 0.00 0.00 0.00 17.79 18.36 1ss6 h ALA 81 CO 0.00 -0.90 0.04 -0.59 0.00 0.00 0.00 179.25 177.80 1ss6 s PHE 82 N -4.73 -0.64 -2.12 0.00 -0.71 -1.26 -5.02 117.98 103.50 1ss6 s PHE 82 Ca -0.10 1.43 0.27 0.00 -1.04 0.00 0.00 56.93 57.49 1ss6 s PHE 82 Cb 0.04 0.27 1.44 0.00 -1.21 0.00 0.00 43.02 43.55 1ss6 s PHE 82 CO 0.38 -0.40 1.94 0.36 -1.34 0.00 0.00 175.22 176.16 1ss6 n LYS 83 N 2.17 1.19 -3.29 1.99 2.85 -1.24 -3.55 118.16 118.29 1ss6 n LYS 83 Ca -0.16 -0.28 -0.24 0.00 -1.05 0.00 0.00 58.31 56.59 1ss6 n LYS 83 Cb 0.56 -1.43 0.02 0.00 -0.65 0.00 0.00 35.03 33.53 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 -0.61 -1.07 -2.59 0.58 0.00 -1.26 -4.66 120.51 110.90 1ss6 n ALA 84 Ca 0.20 0.21 -0.42 0.00 0.00 0.00 0.00 53.44 53.43 1ss6 n ALA 84 Cb 0.16 -3.67 -0.05 0.00 0.00 0.00 0.00 19.45 15.89 1ss6 n ALA 84 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1ss6 s PHE 85 N -3.11 3.15 0.00 0.00 5.36 -1.26 -5.02 117.98 117.10 1ss6 s PHE 85 Ca 0.40 0.63 -0.02 0.00 -0.96 0.00 0.00 56.93 56.98 1ss6 s PHE 85 Cb -0.19 -3.29 -0.01 0.00 -0.34 0.00 0.00 43.02 39.19 1ss6 s PHE 85 CO 0.50 -0.65 0.03 -0.08 -1.46 0.00 0.00 175.22 173.56 1ss6 s THR 86 N 2.98 0.07 -0.14 0.12 -1.32 -1.26 -5.06 115.64 111.02 1ss6 s THR 86 Ca 0.31 -0.54 0.05 0.00 -1.21 0.00 0.00 61.69 60.30 1ss6 s THR 86 Cb -0.14 -0.23 -0.13 0.00 -1.51 0.00 0.00 72.50 70.50 1ss6 s THR 86 CO 0.15 -0.30 -0.06 0.61 -2.21 0.00 0.00 174.62 172.81 1ss6 n GLY 87 N 2.10 -0.39 3.67 6.08 0.00 -1.26 -4.71 105.19 110.68 1ss6 n GLY 87 Ca -0.19 -0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 1ss6 n GLY 87 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1ss6 s GLU 88 N -2.31 4.18 0.00 1.61 2.12 -1.26 -0.31 118.70 122.73 1ss6 s GLU 88 Ca -0.15 2.33 0.00 0.00 0.36 0.00 0.00 54.97 57.51 1ss6 s GLU 88 Cb 0.05 -3.84 0.00 0.00 0.26 0.00 0.00 34.13 30.60 1ss6 s GLU 88 CO 0.43 -0.81 0.00 0.41 -0.54 0.00 0.00 175.26 174.74 1ss6 n GLY 89 N 4.14 3.11 0.07 -1.50 0.00 -1.26 -4.80 105.19 104.94 1ss6 n GLY 89 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 1ss6 n GLY 89 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ss6 n GLN 90 N -1.06 0.42 -2.20 1.61 -0.06 -0.57 -4.67 117.38 110.85 1ss6 n GLN 90 Ca 0.00 0.19 -0.29 0.00 -2.00 0.00 0.00 57.00 54.90 1ss6 n GLN 90 Cb 0.00 -1.27 0.02 0.00 -4.06 0.00 0.00 30.24 24.93 1ss6 n GLN 90 CO 0.00 0.00 0.00 1.63 -0.20 0.00 0.00 177.06 178.49 1ss6 n LYS 91 N -4.08 3.28 -1.26 3.69 5.02 0.58 -4.78 118.16 120.60 1ss6 n LYS 91 Ca -0.11 -4.17 -0.26 0.00 -2.02 0.00 0.00 58.31 51.75 1ss6 n LYS 91 Cb 0.40 -2.26 -0.09 0.00 -0.02 0.00 0.00 35.03 33.06 1ss6 n LYS 91 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1ss6 n LEU 92 N -0.57 6.97 0.00 -0.35 -0.00 -1.21 -3.97 117.00 117.87 1ss6 n LEU 92 Ca 0.45 -3.88 0.00 0.00 -0.00 0.00 0.00 56.01 52.58 1ss6 n LEU 92 Cb 0.64 -1.45 0.00 0.00 -0.00 0.00 0.00 43.42 42.61 1ss6 n LEU 92 CO 0.41 1.88 0.00 0.61 -0.00 0.00 0.00 177.39 180.29 1ss6 n GLY 93 N 2.67 1.45 0.00 1.47 0.00 -1.08 -4.78 105.19 104.91 1ss6 n GLY 93 Ca 0.59 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 46.43 1ss6 n GLY 93 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ss6 n SER 94 N 0.66 0.00 -1.73 1.61 7.64 -1.25 -3.21 113.62 117.34 1ss6 n SER 94 Ca 0.00 -1.17 0.01 0.00 1.01 0.00 0.00 58.87 58.71 1ss6 n SER 94 Cb 0.16 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.38 1ss6 n SER 94 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1ss6 n THR 95 N -0.88 0.24 -3.67 0.44 5.66 -1.26 -5.07 114.28 109.74 1ss6 n THR 95 Ca 0.17 -1.17 -0.14 0.00 -3.05 0.00 0.00 64.05 59.86 1ss6 n THR 95 Cb 0.08 0.96 -0.14 0.00 -1.55 0.00 0.00 70.33 69.68 1ss6 n THR 95 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ss6 s ALA 96 N -0.71 -0.41 0.35 1.79 0.00 -1.20 -5.01 121.76 116.58 1ss6 s ALA 96 Ca 0.24 0.81 0.24 0.00 0.00 0.00 0.00 51.96 53.25 1ss6 s ALA 96 Cb 0.31 -0.89 1.22 0.00 0.00 0.00 0.00 23.12 23.75 1ss6 s ALA 96 CO -0.11 -0.55 1.98 -1.35 0.00 0.00 0.00 175.76 175.73 1ss6 h PRO 97 N 8.16 0.00 -5.58 0.00 0.11 -1.98 -3.39 132.00 129.32 1ss6 h PRO 97 Ca -0.18 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.30 1ss6 h PRO 97 Cb 1.12 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.09 1ss6 h PRO 97 CO 0.17 0.18 0.23 1.14 -0.21 0.00 0.00 178.00 179.52 1ss6 s GLN 98 N -4.10 3.39 -1.31 1.05 -2.07 -1.26 -4.98 119.66 110.38 1ss6 s GLN 98 Ca -0.02 -0.20 -0.14 0.00 -1.82 0.00 0.00 55.36 53.19 1ss6 s GLN 98 Cb 0.13 -3.93 0.11 0.00 -1.09 0.00 0.00 33.01 28.23 1ss6 s GLN 98 CO 0.62 -1.02 1.82 0.28 -1.32 0.00 0.00 175.29 175.67 1ss6 n VAL 99 N 5.94 4.01 -2.64 3.63 0.31 -1.26 -4.56 118.33 123.77 1ss6 n VAL 99 Ca 0.00 -4.07 -0.15 0.00 -0.01 0.00 0.00 64.34 60.11 1ss6 n VAL 99 Cb 0.48 -2.44 0.02 0.00 -0.91 0.00 0.00 33.84 30.98 1ss6 n VAL 99 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1ss6 n LEU 100 N 5.97 2.42 0.00 7.52 7.94 -1.26 -4.97 117.00 134.61 1ss6 n LEU 100 Ca 0.44 -4.24 0.00 0.00 -1.11 0.00 0.00 56.01 51.10 1ss6 n LEU 100 Cb 0.41 0.17 0.00 0.00 0.53 0.00 0.00 43.42 44.52 1ss6 n LEU 100 CO 0.78 1.80 0.00 -1.20 -1.11 0.00 0.00 177.39 177.66 1ss6 n SER 101 N -0.17 0.00 0.00 1.96 7.64 -1.26 -5.10 113.62 116.69 1ss6 n SER 101 Ca 0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.07 1ss6 n SER 101 Cb 0.76 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.96 1ss6 n SER 101 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44