#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 -5.24 -4.00 1.61 2.88 -1.26 -4.95 113.62 102.66 1ss6 n SER 2 Ca 0.00 0.45 -0.11 0.00 -1.33 0.00 0.00 58.87 57.88 1ss6 n SER 2 Cb 0.00 -1.26 -0.12 0.00 -0.75 0.00 0.00 64.21 62.08 1ss6 n SER 2 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 1ss6 s GLU 3 N -0.74 0.38 -1.16 -1.46 2.12 -1.26 -4.90 118.70 111.68 1ss6 s GLU 3 Ca 0.00 -0.59 -0.02 0.00 0.36 0.00 0.00 54.97 54.72 1ss6 s GLU 3 Cb 0.00 -0.10 -0.02 0.00 0.26 0.00 0.00 34.13 34.27 1ss6 s GLU 3 CO 0.00 0.01 0.95 1.17 -0.54 0.00 0.00 175.26 176.85 1ss6 n LYS 4 N 1.77 -5.11 -4.50 4.30 4.81 -1.26 -5.02 118.16 113.15 1ss6 n LYS 4 Ca -0.22 0.83 -0.25 0.00 -0.87 0.00 0.00 58.31 57.80 1ss6 n LYS 4 Cb 0.56 -5.77 -0.08 0.00 0.02 0.00 0.00 35.03 29.75 1ss6 n LYS 4 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1ss6 s ARG 5 N -5.14 1.92 0.31 1.64 1.81 -1.26 -5.11 118.95 113.12 1ss6 s ARG 5 Ca 0.14 -2.17 0.00 0.00 -1.72 0.00 0.00 55.73 51.99 1ss6 s ARG 5 Cb -0.02 -0.58 0.00 0.00 -0.45 0.00 0.00 34.95 33.90 1ss6 s ARG 5 CO 0.74 -0.48 0.00 1.04 -0.68 0.00 0.00 175.30 175.92 1ss6 n GLN 6 N -0.90 -2.23 0.34 3.54 1.13 -1.26 -4.59 117.38 113.41 1ss6 n GLN 6 Ca -0.05 1.59 -0.13 0.00 -1.94 0.00 0.00 57.00 56.46 1ss6 n GLN 6 Cb 0.65 -2.69 -0.06 0.00 0.11 0.00 0.00 30.24 28.25 1ss6 n GLN 6 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1ss6 h HIS 7 N -1.00 -0.81 0.00 1.08 3.86 -2.02 -3.45 115.15 112.81 1ss6 h HIS 7 Ca -0.03 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1ss6 h HIS 7 Cb 0.98 0.27 0.00 0.00 1.06 0.00 0.00 27.41 29.72 1ss6 h HIS 7 CO -1.11 -0.50 0.00 0.45 0.86 0.00 0.00 177.93 177.63 1ss6 n SER 8 N -4.74 0.00 -1.88 2.45 2.88 -1.26 -4.64 113.62 106.43 1ss6 n SER 8 Ca -0.11 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.39 1ss6 n SER 8 Cb 0.34 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.75 1ss6 n SER 8 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1ss6 n SER 9 N 1.53 3.71 0.01 -3.46 7.64 -1.26 0.53 113.62 122.32 1ss6 n SER 9 Ca 0.00 -2.08 0.11 0.00 1.01 0.00 0.00 58.87 57.91 1ss6 n SER 9 Cb 0.00 -0.88 0.01 0.00 -1.01 0.00 0.00 64.21 62.32 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 2.11 0.19 -1.32 1.43 6.02 -1.26 -4.95 117.38 119.60 1ss6 n GLN 10 Ca 0.14 -0.02 0.16 0.00 -0.01 0.00 0.00 57.00 57.28 1ss6 n GLN 10 Cb 0.49 -1.55 -0.07 0.00 1.02 0.00 0.00 30.24 30.12 1ss6 n GLN 10 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1ss6 n ASP 11 N -1.78 -7.58 -4.07 1.08 8.00 -1.23 -4.93 116.55 106.04 1ss6 n ASP 11 Ca 0.03 1.12 -0.28 0.00 0.71 0.00 0.00 54.79 56.36 1ss6 n ASP 11 Cb 0.40 -4.39 -0.17 0.00 -0.02 0.00 0.00 41.12 36.95 1ss6 n ASP 11 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1ss6 s VAL 12 N -3.62 1.50 -0.46 2.53 -7.23 -0.71 -4.79 120.40 107.61 1ss6 s VAL 12 Ca 0.00 -0.66 -0.12 0.00 -1.81 0.00 0.00 61.98 59.39 1ss6 s VAL 12 Cb 0.00 -1.36 0.09 0.00 0.56 0.00 0.00 36.38 35.67 1ss6 s VAL 12 CO 0.00 0.44 0.35 -2.28 -0.31 0.00 0.00 175.10 173.30 1ss6 s HIS 13 N 0.87 3.32 -0.30 2.82 2.46 -1.26 -0.96 115.29 122.23 1ss6 s HIS 13 Ca -0.09 -1.40 -0.10 0.00 0.47 0.00 0.00 55.06 53.93 1ss6 s HIS 13 Cb -0.15 -3.26 -0.02 0.00 -0.13 0.00 0.00 32.58 29.01 1ss6 s HIS 13 CO 0.00 -0.89 0.17 0.08 -2.47 0.00 0.00 174.74 171.63 1ss6 s VAL 14 N 1.50 4.85 -0.18 0.89 1.01 0.20 -4.92 120.40 123.75 1ss6 s VAL 14 Ca 0.04 -0.21 -0.27 0.00 0.00 0.00 0.00 61.98 61.54 1ss6 s VAL 14 Cb -0.25 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 1ss6 s VAL 14 CO 0.03 0.13 0.92 0.54 0.00 0.00 0.00 175.10 176.72 1ss6 s VAL 15 N 1.67 4.81 -0.36 2.92 0.11 -1.26 -0.59 120.40 127.69 1ss6 s VAL 15 Ca 0.06 1.80 -0.11 0.00 -2.93 0.00 0.00 61.98 60.80 1ss6 s VAL 15 Cb -0.17 -4.21 0.02 0.00 -1.53 0.00 0.00 36.38 30.49 1ss6 s VAL 15 CO 0.08 -0.04 0.20 -0.22 -3.33 0.00 0.00 175.10 171.79 1ss6 s LEU 16 N 2.47 4.60 -0.36 2.54 0.20 0.15 -3.57 118.68 124.71 1ss6 s LEU 16 Ca 0.41 -0.88 -0.11 0.00 0.69 0.00 0.00 54.13 54.25 1ss6 s LEU 16 Cb -0.16 -2.03 0.02 0.00 -0.43 0.00 0.00 46.19 43.59 1ss6 s LEU 16 CO 0.11 -0.35 0.19 -0.54 -0.29 0.00 0.00 176.35 175.48 1ss6 s LYS 17 N 1.58 2.96 -0.40 1.98 1.02 0.14 0.06 119.74 127.08 1ss6 s LYS 17 Ca 0.03 -0.99 -0.15 0.00 0.02 0.00 0.00 55.97 54.89 1ss6 s LYS 17 Cb -0.19 -3.69 0.01 0.00 -0.52 0.00 0.00 37.83 33.44 1ss6 s LYS 17 CO 0.07 -0.63 0.29 -1.17 -0.92 0.00 0.00 175.35 172.99 1ss6 s LEU 18 N 1.57 5.00 0.00 3.17 2.96 -0.51 0.43 118.68 131.30 1ss6 s LEU 18 Ca 0.03 -0.83 0.00 0.00 -0.22 0.00 0.00 54.13 53.11 1ss6 s LEU 18 Cb -0.19 -2.15 0.00 0.00 0.50 0.00 0.00 46.19 44.35 1ss6 s LEU 18 CO 0.07 -0.41 0.00 0.79 -1.32 0.00 0.00 176.35 175.47 1ss6 n TRP 19 N 5.15 -1.19 0.00 5.38 7.02 0.22 0.68 117.44 134.70 1ss6 n TRP 19 Ca -0.11 0.00 -0.15 0.00 -1.02 0.00 0.00 57.50 56.22 1ss6 n TRP 19 Cb 0.47 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.33 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 0.66 0.17 -0.99 5.09 -1.86 -3.32 116.57 116.32 1ss6 h LYS 20 Ca 0.00 -0.55 -0.33 0.00 0.09 0.00 0.00 60.65 59.86 1ss6 h LYS 20 Cb 0.00 0.12 0.01 0.00 0.10 0.00 0.00 32.23 32.45 1ss6 h LYS 20 CO 0.00 1.16 -1.65 0.77 -2.09 0.00 0.00 179.45 177.64 1ss6 h SER 21 N 0.45 0.55 0.00 7.07 0.02 -1.96 -3.47 113.55 116.21 1ss6 h SER 21 Ca -0.05 -0.92 0.00 0.00 -0.84 0.00 0.00 61.79 59.99 1ss6 h SER 21 Cb 1.38 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1ss6 h SER 21 CO 0.15 1.74 0.00 0.61 -1.14 0.00 0.00 176.83 178.19 1ss6 n GLY 22 N 1.83 2.51 3.32 -3.77 0.00 -1.25 -0.73 105.19 107.10 1ss6 n GLY 22 Ca -0.25 0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 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 1.02 -0.28 0.20 1.61 -0.71 -0.37 0.69 117.98 120.15 1ss6 s PHE 23 Ca 0.00 0.31 0.08 0.00 -1.04 0.00 0.00 56.93 56.28 1ss6 s PHE 23 Cb 0.00 0.21 -0.05 0.00 -1.21 0.00 0.00 43.02 41.97 1ss6 s PHE 23 CO 0.00 -0.53 -0.15 -1.54 -1.34 0.00 0.00 175.22 171.66 1ss6 s SER 24 N -1.77 2.58 0.00 1.98 1.04 0.17 -0.70 113.70 117.00 1ss6 s SER 24 Ca -0.08 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.36 1ss6 s SER 24 Cb -0.02 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.96 1ss6 s SER 24 CO 0.00 -0.15 0.00 0.18 0.98 0.00 0.00 173.24 174.26 1ss6 n LEU 25 N -0.26 0.00 0.10 2.42 4.32 0.13 0.24 117.00 123.96 1ss6 n LEU 25 Ca -0.09 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 55.67 1ss6 n LEU 25 Cb 0.60 0.00 -0.15 0.00 -1.62 0.00 0.00 43.42 42.24 1ss6 n LEU 25 CO 0.34 0.00 -0.43 -0.78 -1.22 0.00 0.00 177.39 175.29 1ss6 h ASP 26 N 0.00 0.70 0.00 -1.43 3.58 -1.91 -3.35 116.42 114.01 1ss6 h ASP 26 Ca 0.00 -0.92 0.00 0.00 0.42 0.00 0.00 57.03 56.53 1ss6 h ASP 26 Cb 0.00 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 40.82 1ss6 h ASP 26 CO 0.00 1.76 0.00 -0.46 -2.88 0.00 0.00 179.24 177.66 1ss6 n ASN 27 N -3.63 0.00 -3.65 2.28 6.94 -1.26 -4.84 115.26 111.09 1ss6 n ASN 27 Ca -0.22 -1.05 -0.02 0.00 -0.02 0.00 0.00 54.58 53.27 1ss6 n ASN 27 Cb 1.09 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 38.48 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 -1.81 -0.09 0.00 4.83 0.00 -1.26 -5.09 107.32 103.90 1ss6 s GLY 28 Ca 0.32 2.26 0.00 0.00 0.00 0.00 0.00 44.72 47.30 1ss6 s GLY 28 CO 0.25 0.80 0.00 1.18 0.00 0.00 0.00 173.10 175.33 1ss6 n GLU 29 N 0.16 1.71 -1.79 2.90 1.02 -1.26 0.21 120.64 123.59 1ss6 n GLU 29 Ca 0.04 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.81 1ss6 n GLU 29 Cb 0.57 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.96 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 3.36 -0.27 -4.62 0.20 -1.26 -4.07 118.68 112.02 1ss6 s LEU 30 Ca 0.00 0.80 -0.12 0.00 0.69 0.00 0.00 54.13 55.51 1ss6 s LEU 30 Cb 0.00 -2.61 -0.05 0.00 -0.43 0.00 0.00 46.19 43.10 1ss6 s LEU 30 CO 0.00 -2.57 0.23 -0.13 -0.29 0.00 0.00 176.35 173.59 1ss6 s ARG 31 N 7.53 3.98 0.20 1.98 0.52 0.12 -4.85 118.95 128.43 1ss6 s ARG 31 Ca 0.84 -0.23 -0.30 0.00 -0.52 0.00 0.00 55.73 55.51 1ss6 s ARG 31 Cb -0.16 -3.65 -0.08 0.00 0.52 0.00 0.00 34.95 31.58 1ss6 s ARG 31 CO 0.24 -0.17 1.09 -1.12 0.02 0.00 0.00 175.30 175.36 1ss6 s SER 32 N 1.66 7.29 0.38 0.23 0.01 -1.26 -1.23 113.70 120.77 1ss6 s SER 32 Ca 0.09 2.12 0.19 0.00 1.31 0.00 0.00 55.95 59.65 1ss6 s SER 32 Cb -0.16 -2.61 1.16 0.00 0.21 0.00 0.00 66.02 64.62 1ss6 s SER 32 CO 0.10 -0.18 1.68 1.88 0.41 0.00 0.00 173.24 177.13 1ss6 h TYR 33 N 4.81 0.78 0.00 2.43 0.05 -1.26 0.41 116.97 124.19 1ss6 h TYR 33 Ca -0.45 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.33 1ss6 h TYR 33 Cb 1.21 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 38.74 1ss6 h TYR 33 CO 0.62 -0.11 -0.17 1.96 -1.05 0.00 0.00 178.16 179.41 1ss6 h GLN 34 N 0.30 0.00 -6.66 4.88 4.20 -1.91 -3.41 115.11 112.51 1ss6 h GLN 34 Ca 0.72 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.91 1ss6 h GLN 34 Cb 1.82 0.00 0.06 0.00 0.30 0.00 0.00 27.48 29.66 1ss6 h GLN 34 CO -0.48 0.17 0.99 0.34 -0.67 0.00 0.00 178.83 179.18 1ss6 s ASP 35 N -6.77 6.40 0.00 1.46 2.15 0.14 -4.89 116.67 115.17 1ss6 s ASP 35 Ca -0.04 2.85 0.16 0.00 0.43 0.00 0.00 52.55 55.95 1ss6 s ASP 35 Cb 0.15 -2.60 0.70 0.00 -0.30 0.00 0.00 42.92 40.87 1ss6 s ASP 35 CO 0.67 -0.95 1.50 -2.65 -0.17 0.00 0.00 175.17 173.56 1ss6 n PRO 36 N 3.84 0.04 0.03 4.34 -0.02 -1.26 -2.60 135.00 139.37 1ss6 n PRO 36 Ca 0.15 0.21 -0.22 0.00 -2.02 0.00 0.00 63.50 61.62 1ss6 n PRO 36 Cb 0.36 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.19 1ss6 n PRO 36 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1ss6 h SER 37 N 0.00 0.50 1.71 2.55 0.87 -1.93 -3.33 113.55 113.91 1ss6 h SER 37 Ca 0.00 -0.95 0.00 0.00 -1.23 0.00 0.00 61.79 59.61 1ss6 h SER 37 Cb 0.25 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1ss6 h SER 37 CO 0.00 1.83 -0.09 -0.55 -0.53 0.00 0.00 176.83 177.49 1ss6 h ASN 38 N 0.07 0.00 -1.08 6.23 7.08 -1.88 -3.09 115.58 122.92 1ss6 h ASN 38 Ca -0.39 -0.01 0.29 0.00 -3.08 0.00 0.00 56.30 53.11 1ss6 h ASN 38 Cb 2.05 0.00 -0.09 0.00 -2.08 0.00 0.00 38.32 38.20 1ss6 h ASN 38 CO 0.12 0.01 0.70 0.00 -2.08 0.00 0.00 177.43 176.18 1ss6 h ALA 39 N 2.20 2.39 -0.09 4.14 0.00 -1.61 0.66 119.26 126.94 1ss6 h ALA 39 Ca 0.00 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1ss6 h ALA 39 Cb 0.90 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 1ss6 h ALA 39 CO 0.00 -0.80 -0.41 0.37 0.00 0.00 0.00 179.25 178.41 1ss6 h GLN 40 N 0.31 -0.49 0.16 0.00 4.15 -1.71 -2.03 115.11 115.51 1ss6 h GLN 40 Ca 0.61 0.03 -0.00 0.00 0.77 0.00 0.00 58.65 60.06 1ss6 h GLN 40 Cb 1.69 0.11 -0.00 0.00 0.21 0.00 0.00 27.48 29.49 1ss6 h GLN 40 CO -0.27 -0.33 -0.10 0.74 -1.93 0.00 0.00 178.83 176.95 1ss6 h PHE 41 N -0.51 -0.25 -0.70 3.99 0.04 -1.12 -0.94 116.94 117.47 1ss6 h PHE 41 Ca 0.07 -0.00 0.13 0.00 2.80 0.00 0.00 57.97 60.97 1ss6 h PHE 41 Cb 0.63 0.09 -0.13 0.00 2.20 0.00 0.00 35.95 38.73 1ss6 h PHE 41 CO -0.46 -0.15 -0.23 -0.07 -0.60 0.00 0.00 178.31 176.80 1ss6 h LEU 42 N -0.25 -0.84 -0.11 1.54 3.38 -1.05 0.56 115.31 118.55 1ss6 h LEU 42 Ca -0.01 0.22 -0.12 0.00 0.09 0.00 0.00 57.88 58.06 1ss6 h LEU 42 Cb 0.21 0.50 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1ss6 h LEU 42 CO 0.02 -0.26 -0.40 -0.08 0.09 0.00 0.00 178.44 177.81 1ss6 h GLU 43 N -0.05 0.46 -0.60 1.13 4.81 -1.21 -1.87 114.58 117.25 1ss6 h GLU 43 Ca 0.32 -0.35 0.06 0.00 -0.13 0.00 0.00 59.36 59.26 1ss6 h GLU 43 Cb 0.54 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.93 1ss6 h GLU 43 CO -0.74 0.98 0.30 0.66 -0.73 0.00 0.00 179.01 179.48 1ss6 h SER 44 N 0.04 0.41 0.22 1.04 4.64 -0.12 -2.00 113.55 117.79 1ss6 h SER 44 Ca -0.02 0.04 -0.18 0.00 -0.47 0.00 0.00 61.79 61.16 1ss6 h SER 44 Cb 1.03 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1ss6 h SER 44 CO 0.08 0.27 -0.71 0.40 -0.87 0.00 0.00 176.83 176.00 1ss6 h ILE 45 N 0.56 1.37 -0.47 0.95 2.04 0.10 0.59 117.51 122.65 1ss6 h ILE 45 Ca 0.28 -2.09 -0.07 0.00 1.00 0.00 0.00 64.86 63.98 1ss6 h ILE 45 Cb 0.22 2.07 -0.02 0.00 -0.74 0.00 0.00 36.82 38.35 1ss6 h ILE 45 CO -0.21 0.63 0.02 0.03 0.00 0.00 0.00 178.15 178.62 1ss6 h ARG 46 N 0.30 0.76 -0.10 2.37 3.08 -1.04 -1.75 114.38 118.00 1ss6 h ARG 46 Ca -0.03 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1ss6 h ARG 46 Cb 1.28 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.23 1ss6 h ARG 46 CO 0.12 0.76 0.00 0.54 -1.07 0.00 0.00 179.97 180.32 1ss6 n ARG 47 N -4.23 1.45 -2.13 0.04 5.12 -0.78 -4.90 116.66 111.22 1ss6 n ARG 47 Ca 0.03 -0.68 -0.11 0.00 -1.93 0.00 0.00 57.85 55.16 1ss6 n ARG 47 Cb 0.28 -1.35 -0.01 0.00 -1.16 0.00 0.00 32.46 30.22 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 1.00 0.02 3.86 -0.13 0.00 -0.66 -5.02 105.19 104.26 1ss6 n GLY 48 Ca 0.15 -0.42 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 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 -4.42 2.58 -0.24 1.61 2.02 0.20 -4.99 118.70 115.46 1ss6 s GLU 49 Ca 0.00 -1.46 -0.19 0.00 0.02 0.00 0.00 54.97 53.34 1ss6 s GLU 49 Cb 0.00 -2.39 -0.03 0.00 0.10 0.00 0.00 34.13 31.81 1ss6 s GLU 49 CO 0.00 -0.08 0.54 0.54 0.02 0.00 0.00 175.26 176.28 1ss6 s VAL 50 N -2.42 5.06 0.25 2.63 0.11 -1.26 -3.93 120.40 120.85 1ss6 s VAL 50 Ca 0.45 0.96 -0.30 0.00 -2.93 0.00 0.00 61.98 60.16 1ss6 s VAL 50 Cb -0.04 -3.86 -0.14 0.00 -1.53 0.00 0.00 36.38 30.82 1ss6 s VAL 50 CO 0.27 0.10 1.28 -2.65 -3.33 0.00 0.00 175.10 170.77 1ss6 n PRO 51 N 5.36 1.79 0.30 1.54 -0.02 -1.26 -4.88 135.00 137.83 1ss6 n PRO 51 Ca -0.03 0.63 0.17 0.00 -2.02 0.00 0.00 63.50 62.25 1ss6 n PRO 51 Cb 0.50 -2.20 0.96 0.00 -0.02 0.00 0.00 33.50 32.74 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 3.42 1.32 -0.21 3.55 0.00 -1.96 -0.27 119.26 125.10 1ss6 h ALA 52 Ca -0.44 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 1ss6 h ALA 52 Cb 1.30 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1ss6 h ALA 52 CO 0.70 0.03 -0.11 0.93 0.00 0.00 0.00 179.25 180.80 1ss6 h GLU 53 N 0.00 0.34 0.18 0.00 4.39 -1.90 0.86 114.58 118.44 1ss6 h GLU 53 Ca -0.00 -0.08 -0.35 0.00 0.34 0.00 0.00 59.36 59.27 1ss6 h GLU 53 Cb 0.08 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1ss6 h GLU 53 CO 0.00 0.45 -1.76 -0.07 -1.16 0.00 0.00 179.01 176.47 1ss6 h LEU 54 N 0.32 0.60 -0.31 1.33 3.38 -1.43 -3.08 115.31 116.12 1ss6 h LEU 54 Ca 0.06 -0.94 -0.03 0.00 0.09 0.00 0.00 57.88 57.06 1ss6 h LEU 54 Cb 0.39 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1ss6 h LEU 54 CO 0.02 1.79 0.07 -0.09 0.09 0.00 0.00 178.44 180.32 1ss6 h ARG 55 N 0.09 0.50 -1.38 1.13 9.65 -1.37 -1.72 114.38 121.28 1ss6 h ARG 55 Ca -0.35 -0.12 -0.25 0.00 -1.10 0.00 0.00 59.98 58.15 1ss6 h ARG 55 Cb 2.08 -0.06 -0.12 0.00 -1.39 0.00 0.00 29.97 30.48 1ss6 h ARG 55 CO 0.17 0.58 0.33 0.54 2.80 0.00 0.00 179.97 184.38 1ss6 n ARG 56 N -4.65 1.62 0.03 0.20 5.12 0.29 -2.88 116.66 116.40 1ss6 n ARG 56 Ca -0.02 -1.30 0.00 0.00 -1.93 0.00 0.00 57.85 54.60 1ss6 n ARG 56 Cb 0.20 -1.51 0.00 0.00 -1.16 0.00 0.00 32.46 29.99 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 0.27 0.69 -4.84 0.55 -0.00 -0.71 -4.91 117.00 108.05 1ss6 n LEU 57 Ca 0.25 0.10 -0.30 0.00 -0.00 0.00 0.00 56.01 56.06 1ss6 n LEU 57 Cb 0.71 -0.20 0.21 0.00 -0.00 0.00 0.00 43.42 44.14 1ss6 n LEU 57 CO 0.30 -0.50 0.82 0.00 -0.00 0.00 0.00 177.39 178.01 1ss6 s ALA 58 N -2.00 1.77 0.57 1.96 0.00 -0.84 -4.91 121.76 118.32 1ss6 s ALA 58 Ca 0.00 -1.21 0.27 0.00 0.00 0.00 0.00 51.96 51.02 1ss6 s ALA 58 Cb 0.00 -2.78 1.58 0.00 0.00 0.00 0.00 23.12 21.92 1ss6 s ALA 58 CO 0.00 -2.83 2.09 1.25 0.00 0.00 0.00 175.76 176.26 1ss6 h HIS 59 N -1.96 0.00 0.00 0.00 2.76 -0.10 -3.45 115.15 112.39 1ss6 h HIS 59 Ca -0.44 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.73 1ss6 h HIS 59 Cb 1.24 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.20 1ss6 h HIS 59 CO -1.63 0.00 0.00 0.41 -1.30 0.00 0.00 177.93 175.41 1ss6 n GLY 60 N -1.45 1.09 0.00 5.26 0.00 -1.14 -4.89 105.19 104.05 1ss6 n GLY 60 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.93 1.40 3.52 -0.02 0.00 -1.26 -4.60 105.19 103.31 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 0.00 3.88 -0.57 1.61 0.74 -1.26 -4.93 119.66 119.14 1ss6 s GLN 62 Ca 0.00 -1.97 -0.20 0.00 0.05 0.00 0.00 55.36 53.25 1ss6 s GLN 62 Cb 0.00 -5.27 0.08 0.00 1.10 0.00 0.00 33.01 28.92 1ss6 s GLN 62 CO 0.00 -2.03 0.72 0.14 -0.55 0.00 0.00 175.29 173.57 1ss6 s VAL 63 N 3.37 4.76 -0.12 1.34 -7.23 -1.26 -1.75 120.40 119.51 1ss6 s VAL 63 Ca 0.46 -0.68 0.01 0.00 -1.81 0.00 0.00 61.98 59.96 1ss6 s VAL 63 Cb -0.00 -4.45 -0.01 0.00 0.56 0.00 0.00 36.38 32.48 1ss6 s VAL 63 CO -0.00 -1.05 -0.16 0.21 -0.31 0.00 0.00 175.10 173.78 1ss6 s ASN 64 N 3.26 3.76 -0.10 4.85 3.04 -0.14 -5.01 114.94 124.61 1ss6 s ASN 64 Ca 0.15 -0.38 0.03 0.00 0.04 0.00 0.00 52.86 52.69 1ss6 s ASN 64 Cb -0.21 -1.51 0.01 0.00 -1.54 0.00 0.00 41.25 37.99 1ss6 s ASN 64 CO 0.09 0.17 -0.19 -0.22 -3.04 0.00 0.00 177.10 173.92 1ss6 s LEU 65 N 0.29 1.90 -0.14 3.21 0.20 -1.26 0.61 118.68 123.49 1ss6 s LEU 65 Ca -0.12 -0.47 -0.01 0.00 0.69 0.00 0.00 54.13 54.22 1ss6 s LEU 65 Cb -0.16 -1.19 -0.02 0.00 -0.43 0.00 0.00 46.19 44.39 1ss6 s LEU 65 CO 0.06 0.09 -0.12 -1.81 -0.29 0.00 0.00 176.35 174.29 1ss6 s ASP 66 N 0.60 4.11 -0.24 3.68 1.01 0.24 -4.96 116.67 121.11 1ss6 s ASP 66 Ca -0.14 -0.31 -0.12 0.00 0.71 0.00 0.00 52.55 52.69 1ss6 s ASP 66 Cb -0.17 -1.64 -0.05 0.00 1.01 0.00 0.00 42.92 42.08 1ss6 s ASP 66 CO 0.04 0.16 0.21 -0.04 0.21 0.00 0.00 175.17 175.75 1ss6 s MET 67 N 0.41 4.08 0.04 8.23 -1.94 -1.26 0.31 119.30 129.16 1ss6 s MET 67 Ca -0.09 -0.18 0.07 0.00 -1.71 0.00 0.00 55.69 53.78 1ss6 s MET 67 Cb -0.16 -3.55 -0.03 0.00 2.01 0.00 0.00 34.83 33.10 1ss6 s MET 67 CO 0.05 0.02 -0.18 -1.21 -0.01 0.00 0.00 175.02 173.69 1ss6 s GLU 68 N 1.18 2.09 -0.30 2.03 2.02 0.11 -4.34 118.70 121.50 1ss6 s GLU 68 Ca 0.10 -0.97 -0.10 0.00 0.02 0.00 0.00 54.97 54.02 1ss6 s GLU 68 Cb -0.14 -2.20 -0.02 0.00 0.10 0.00 0.00 34.13 31.87 1ss6 s GLU 68 CO 0.06 0.54 0.16 0.34 0.02 0.00 0.00 175.26 176.38 1ss6 s ASP 69 N -1.43 5.64 -0.14 -0.19 2.15 -1.26 -1.42 116.67 120.02 1ss6 s ASP 69 Ca 0.15 -0.37 0.21 0.00 0.43 0.00 0.00 52.55 52.97 1ss6 s ASP 69 Cb -0.11 -2.03 0.46 0.00 -0.30 0.00 0.00 42.92 40.94 1ss6 s ASP 69 CO 0.05 -0.15 1.16 1.41 -0.17 0.00 0.00 175.17 177.47 1ss6 n HIS 70 N 5.00 0.67 -2.38 -5.34 8.25 0.21 -4.91 115.22 116.73 1ss6 n HIS 70 Ca -0.14 -1.33 -0.41 0.00 -0.26 0.00 0.00 57.72 55.58 1ss6 n HIS 70 Cb 0.50 -0.21 -0.03 0.00 1.12 0.00 0.00 29.99 31.37 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 -2.00 4.51 0.00 -0.41 0.52 0.18 -1.96 118.95 119.78 1ss6 s ARG 71 Ca 0.34 1.87 0.00 0.00 -0.52 0.00 0.00 55.73 57.42 1ss6 s ARG 71 Cb 0.37 -3.23 0.00 0.00 0.52 0.00 0.00 34.95 32.60 1ss6 s ARG 71 CO -0.10 -0.06 0.00 -3.47 0.02 0.00 0.00 175.30 171.70 1ss6 n ASP 72 N 2.33 0.00 0.03 0.23 2.03 -1.26 -4.72 116.55 115.20 1ss6 n ASP 72 Ca 0.04 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.33 1ss6 n ASP 72 Cb 0.45 -0.19 0.24 0.00 -0.72 0.00 0.00 41.12 40.89 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 0.81 0.43 -1.79 -0.67 4.81 -1.77 -3.49 114.58 112.92 1ss6 h GLU 73 Ca 0.00 -0.15 0.19 0.00 -0.13 0.00 0.00 59.36 59.27 1ss6 h GLU 73 Cb 0.00 -0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.26 1ss6 h GLU 73 CO 0.00 0.63 -0.57 -3.47 -0.73 0.00 0.00 179.01 174.87 1ss6 n ASP 74 N -4.15 -4.31 -4.56 1.04 -0.08 -1.06 -4.71 116.55 98.73 1ss6 n ASP 74 Ca -0.00 0.65 -0.23 0.00 -1.51 0.00 0.00 54.79 53.70 1ss6 n ASP 74 Cb 0.38 -2.51 -0.06 0.00 2.34 0.00 0.00 41.12 41.27 1ss6 n ASP 74 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 1ss6 s PHE 75 N -3.15 1.60 -1.11 -0.67 5.36 -1.26 -4.68 117.98 114.07 1ss6 s PHE 75 Ca 0.00 1.05 0.25 0.00 -0.96 0.00 0.00 56.93 57.28 1ss6 s PHE 75 Cb 0.00 -3.86 0.52 0.00 -0.34 0.00 0.00 43.02 39.35 1ss6 s PHE 75 CO 0.00 -1.69 1.42 1.55 -1.46 0.00 0.00 175.22 175.04 1ss6 n VAL 76 N 8.16 0.00 -0.21 3.12 3.14 -1.26 -5.05 118.33 126.23 1ss6 n VAL 76 Ca 0.42 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.78 1ss6 n VAL 76 Cb 0.46 0.29 0.00 0.00 -1.06 0.00 0.00 33.84 33.53 1ss6 n VAL 76 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1ss6 n LYS 77 N -1.38 -0.59 0.01 1.45 5.02 -1.26 -4.50 118.16 116.92 1ss6 n LYS 77 Ca 0.06 0.45 -0.02 0.00 -2.02 0.00 0.00 58.31 56.78 1ss6 n LYS 77 Cb 0.34 -0.52 -0.01 0.00 -0.02 0.00 0.00 35.03 34.82 1ss6 n LYS 77 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1ss6 h PRO 78 N 0.15 -0.12 -5.92 1.97 0.11 -1.89 -3.35 132.00 122.94 1ss6 h PRO 78 Ca 0.00 0.01 -0.45 0.00 0.11 0.00 0.00 66.00 65.67 1ss6 h PRO 78 Cb 0.05 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.14 1ss6 h PRO 78 CO 0.00 -0.08 1.19 -1.59 -0.21 0.00 0.00 178.00 177.31 1ss6 s LYS 79 N -1.91 2.64 0.00 1.05 -2.85 -1.26 -1.82 119.74 115.59 1ss6 s LYS 79 Ca -0.02 0.33 0.00 0.00 -1.00 0.00 0.00 55.97 55.28 1ss6 s LYS 79 Cb 0.00 -4.57 0.00 0.00 -2.06 0.00 0.00 37.83 31.20 1ss6 s LYS 79 CO 0.06 -2.88 0.00 0.41 0.10 0.00 0.00 175.35 173.04 1ss6 n GLY 80 N 6.00 -0.02 1.03 0.59 0.00 -1.26 -5.13 105.19 106.40 1ss6 n GLY 80 Ca 0.25 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.22 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 0.31 -0.04 4.61 0.00 -0.75 -4.97 120.51 119.66 1ss6 n ALA 81 Ca 0.00 -0.56 -0.10 0.00 0.00 0.00 0.00 53.44 52.78 1ss6 n ALA 81 Cb 0.00 0.17 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 1ss6 n ALA 81 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ss6 n PHE 82 N -1.23 0.00 0.03 0.00 3.72 -1.26 -4.72 117.46 114.01 1ss6 n PHE 82 Ca 0.03 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.41 1ss6 n PHE 82 Cb 0.16 -0.37 -0.09 0.00 -0.94 0.00 0.00 39.48 38.25 1ss6 n PHE 82 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1ss6 h LYS 83 N -0.47 0.00 0.00 -1.08 2.10 -1.98 -3.47 116.57 111.67 1ss6 h LYS 83 Ca -0.19 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.46 1ss6 h LYS 83 Cb 0.94 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.27 1ss6 h LYS 83 CO -0.12 0.41 0.00 0.00 -2.00 0.00 0.00 179.45 177.75 1ss6 n ALA 84 N -2.41 0.00 -2.94 0.07 0.00 -1.26 -4.68 120.51 109.29 1ss6 n ALA 84 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.00 1ss6 n ALA 84 Cb 0.89 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.22 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 0.00 3.12 0.19 0.00 5.36 -1.26 -4.88 117.98 120.51 1ss6 s PHE 85 Ca 0.00 -0.20 -0.02 0.00 -0.96 0.00 0.00 56.93 55.75 1ss6 s PHE 85 Cb 0.00 -2.07 0.09 0.00 -0.34 0.00 0.00 43.02 40.71 1ss6 s PHE 85 CO 0.00 -0.05 1.47 1.15 -1.46 0.00 0.00 175.22 176.33 1ss6 h THR 86 N 5.14 1.35 0.00 0.12 2.02 -1.83 -3.49 112.91 116.22 1ss6 h THR 86 Ca -0.35 -1.98 0.00 0.00 0.77 0.00 0.00 66.41 64.85 1ss6 h THR 86 Cb 1.18 1.97 0.00 0.00 -1.74 0.00 0.00 68.15 69.55 1ss6 h THR 86 CO 0.64 0.60 0.00 0.61 0.37 0.00 0.00 175.52 177.75 1ss6 n GLY 87 N 0.41 3.51 3.55 2.16 0.00 -1.26 -4.92 105.19 108.65 1ss6 n GLY 87 Ca -0.04 -1.02 -0.23 0.00 0.00 0.00 0.00 46.02 44.73 1ss6 n GLY 87 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1ss6 n GLU 88 N 0.00 -2.09 0.00 1.61 0.28 -1.26 -4.00 120.64 115.18 1ss6 n GLU 88 Ca 0.00 0.16 0.00 0.00 -0.16 0.00 0.00 57.16 57.16 1ss6 n GLU 88 Cb 0.00 -4.74 0.00 0.00 1.43 0.00 0.00 31.44 28.13 1ss6 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ss6 n GLY 89 N -0.88 0.48 2.02 -1.84 0.00 -1.26 -2.83 105.19 100.88 1ss6 n GLY 89 Ca 0.05 0.59 -0.01 0.00 0.00 0.00 0.00 46.02 46.64 1ss6 n GLY 89 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ss6 n GLN 90 N 0.00 0.24 0.00 1.61 10.64 -1.26 -4.69 117.38 123.92 1ss6 n GLN 90 Ca 0.00 -0.39 0.00 0.00 -1.83 0.00 0.00 57.00 54.78 1ss6 n GLN 90 Cb 0.00 0.05 0.00 0.00 -0.86 0.00 0.00 30.24 29.43 1ss6 n GLN 90 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1ss6 n LYS 91 N -0.36 0.00 0.00 2.61 4.76 -1.13 -4.88 118.16 119.17 1ss6 n LYS 91 Ca -0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 1ss6 n LYS 91 Cb 0.60 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.79 1ss6 n LYS 91 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1ss6 n LEU 92 N 0.00 0.00 -1.24 -0.35 4.77 -1.26 -3.45 117.00 115.47 1ss6 n LEU 92 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 1ss6 n LEU 92 Cb 0.00 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.36 1ss6 n LEU 92 CO 0.00 0.00 0.74 0.61 -1.33 0.00 0.00 177.39 177.41 1ss6 n GLY 93 N 0.00 2.22 0.21 -0.72 0.00 -1.26 -4.29 105.19 101.35 1ss6 n GLY 93 Ca 0.00 -0.75 0.07 0.00 0.00 0.00 0.00 46.02 45.34 1ss6 n GLY 93 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ss6 h SER 94 N 4.22 0.00 -3.63 1.61 4.64 -1.91 -3.44 113.55 115.04 1ss6 h SER 94 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 1ss6 h SER 94 Cb 0.97 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 62.83 1ss6 h SER 94 CO 0.00 0.30 -0.14 -0.89 -0.87 0.00 0.00 176.83 175.23 1ss6 s THR 95 N -3.77 -0.01 -0.26 2.95 2.01 -1.26 -5.03 115.64 110.27 1ss6 s THR 95 Ca -0.01 0.02 -0.06 0.00 0.31 0.00 0.00 61.69 61.95 1ss6 s THR 95 Cb 0.11 -0.73 0.01 0.00 0.01 0.00 0.00 72.50 71.90 1ss6 s THR 95 CO 0.66 0.01 0.24 0.00 -0.69 0.00 0.00 174.62 174.84 1ss6 n ALA 96 N 3.36 -3.15 -1.90 7.40 0.00 -1.26 -4.90 120.51 120.06 1ss6 n ALA 96 Ca -0.17 0.62 -0.42 0.00 0.00 0.00 0.00 53.44 53.47 1ss6 n ALA 96 Cb 0.56 -1.82 -0.03 0.00 0.00 0.00 0.00 19.45 18.17 1ss6 n ALA 96 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ss6 s PRO 97 N -1.70 4.07 0.11 0.00 0.04 -1.07 -4.65 135.00 131.80 1ss6 s PRO 97 Ca 0.10 2.24 0.00 0.00 0.04 0.00 0.00 61.00 63.39 1ss6 s PRO 97 Cb -0.03 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.45 1ss6 s PRO 97 CO 0.53 -1.00 0.00 0.00 0.04 0.00 0.00 177.00 176.57 1ss6 n GLN 98 N 7.41 0.00 0.00 4.56 10.64 -1.26 0.05 117.38 138.78 1ss6 n GLN 98 Ca 0.19 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.36 1ss6 n GLN 98 Cb 0.43 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.81 1ss6 n GLN 98 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.06 176.78 1ss6 n VAL 99 N 0.00 0.06 -3.35 -0.39 3.14 -1.26 -4.99 118.33 111.54 1ss6 n VAL 99 Ca 0.00 -0.47 -0.40 0.00 -2.96 0.00 0.00 64.34 60.51 1ss6 n VAL 99 Cb 0.00 1.08 -0.09 0.00 -1.06 0.00 0.00 33.84 33.78 1ss6 n VAL 99 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 1ss6 s LEU 100 N -0.06 4.22 0.10 6.55 1.43 0.11 -4.92 118.68 126.11 1ss6 s LEU 100 Ca 0.00 0.09 0.24 0.00 -1.03 0.00 0.00 54.13 53.43 1ss6 s LEU 100 Cb 0.00 -2.45 0.26 0.00 0.03 0.00 0.00 46.19 44.02 1ss6 s LEU 100 CO 0.00 -0.30 1.23 -0.24 0.23 0.00 0.00 176.35 177.27 1ss6 n SER 101 N 5.45 0.67 0.00 2.29 2.88 -1.26 -2.58 113.62 121.07 1ss6 n SER 101 Ca -0.07 0.03 0.09 0.00 -1.33 0.00 0.00 58.87 57.59 1ss6 n SER 101 Cb 0.50 0.35 0.56 0.00 -0.75 0.00 0.00 64.21 64.86 1ss6 n SER 101 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16