#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ii8 s LEU 2 N 0.00 4.36 -0.22 2.46 1.98 -1.26 -5.00 118.68 121.01 2ii8 s LEU 2 Ca 0.00 2.48 -0.02 0.00 -2.89 0.00 0.00 54.13 53.70 2ii8 s LEU 2 Cb 0.00 -3.57 0.06 0.00 0.66 0.00 0.00 46.19 43.34 2ii8 s LEU 2 CO 0.00 -0.85 0.03 -0.55 -1.89 0.00 0.00 176.35 173.09 2ii8 s SER 3 N 2.00 3.22 -0.03 3.68 0.15 -1.26 -4.19 113.70 117.26 2ii8 s SER 3 Ca 0.72 -0.98 0.01 0.00 0.70 0.00 0.00 55.95 56.40 2ii8 s SER 3 Cb -0.40 -0.73 0.01 0.00 -1.71 0.00 0.00 66.02 63.19 2ii8 s SER 3 CO 0.31 -0.31 -0.05 -0.63 1.20 0.00 0.00 173.24 173.77 2ii8 s ILE 4 N 1.75 0.49 0.00 6.45 1.01 -1.26 -5.08 121.20 124.55 2ii8 s ILE 4 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.48 2ii8 s ILE 4 Cb -0.17 -0.48 0.00 0.00 0.01 0.00 0.00 42.46 41.82 2ii8 s ILE 4 CO -0.10 0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.64 2ii8 n GLY 5 N 3.62 -0.43 3.71 6.18 0.00 -1.26 -3.98 105.19 113.02 2ii8 n GLY 5 Ca -0.21 -2.05 -0.09 0.00 0.00 0.00 0.00 46.02 43.67 2ii8 n GLY 5 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ii8 s ARG 6 N 0.00 1.71 0.00 1.61 1.70 0.02 -4.68 118.95 119.32 2ii8 s ARG 6 Ca 0.00 -1.19 0.26 0.00 -0.47 0.00 0.00 55.73 54.32 2ii8 s ARG 6 Cb 0.00 0.54 0.63 0.00 -0.57 0.00 0.00 34.95 35.54 2ii8 s ARG 6 CO 0.00 -0.75 1.49 0.25 -1.08 0.00 0.00 175.30 175.21 2ii8 n THR 7 N -0.43 0.00 -3.73 4.99 -2.24 -1.26 -1.54 114.28 110.07 2ii8 n THR 7 Ca -0.03 -0.02 -0.17 0.00 -2.27 0.00 0.00 64.05 61.56 2ii8 n THR 7 Cb 0.61 0.21 -0.16 0.00 -2.10 0.00 0.00 70.33 68.88 2ii8 n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ii8 s TRP 9 N 1.56 1.22 -0.05 0.00 0.52 -0.03 -5.00 118.94 117.17 2ii8 s TRP 9 Ca -0.03 -0.42 0.03 0.00 0.02 0.00 0.00 56.10 55.69 2ii8 s TRP 9 Cb -0.12 -0.70 0.01 0.00 -1.15 0.00 0.00 33.47 31.50 2ii8 s TRP 9 CO -0.04 0.05 -0.12 0.00 0.02 0.00 0.00 176.95 176.87 2ii8 s ALA 10 N -1.13 1.15 -0.25 0.98 0.00 -1.26 0.46 121.76 121.72 2ii8 s ALA 10 Ca -0.01 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.54 2ii8 s ALA 10 Cb -0.09 -0.47 0.04 0.00 0.00 0.00 0.00 23.12 22.60 2ii8 s ALA 10 CO 0.02 0.15 -0.10 0.42 0.00 0.00 0.00 175.76 176.25 2ii8 s ILE 11 N 0.41 2.42 -0.48 0.00 1.01 0.40 -5.00 121.20 119.95 2ii8 s ILE 11 Ca -0.09 -1.32 0.26 0.00 0.00 0.00 0.00 60.65 59.51 2ii8 s ILE 11 Cb -0.13 -2.29 0.31 0.00 0.01 0.00 0.00 42.46 40.36 2ii8 s ILE 11 CO 0.02 0.13 1.75 0.00 0.00 0.00 0.00 174.94 176.85 2ii8 h ALA 12 N 7.89 1.00 -2.52 9.38 0.00 -1.91 -0.44 119.26 132.66 2ii8 h ALA 12 Ca -0.28 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.05 2ii8 h ALA 12 Cb 1.08 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.77 2ii8 h ALA 12 CO 0.53 0.00 -0.64 -2.00 0.00 0.00 0.00 179.25 177.14 2ii8 s GLU 13 N -3.26 2.38 -0.30 0.00 2.56 -1.26 -4.49 118.70 114.33 2ii8 s GLU 13 Ca 0.07 -1.25 -0.22 0.00 0.00 0.00 0.00 54.97 53.57 2ii8 s GLU 13 Cb 0.09 -2.28 0.21 0.00 2.00 0.00 0.00 34.13 34.15 2ii8 s GLU 13 CO 0.56 0.41 1.41 0.20 -0.56 0.00 0.00 175.26 177.28 2ii8 s GLY 14 N -3.35 0.52 -0.30 -1.50 0.00 -0.00 -4.59 107.32 98.10 2ii8 s GLY 14 Ca 0.30 3.73 -0.14 0.00 0.00 0.00 0.00 44.72 48.60 2ii8 s GLY 14 CO 0.19 2.27 0.92 -0.47 0.00 0.00 0.00 173.10 176.02 2ii8 s TYR 15 N 0.39 -0.77 -0.29 1.90 6.14 -1.26 -1.18 117.35 122.26 2ii8 s TYR 15 Ca 0.02 1.39 -0.09 0.00 0.64 0.00 0.00 57.07 59.03 2ii8 s TYR 15 Cb -0.04 0.46 -0.01 0.00 0.42 0.00 0.00 41.96 42.79 2ii8 s TYR 15 CO -0.14 -0.38 0.13 0.42 0.64 0.00 0.00 175.55 176.22 2ii8 s ILE 16 N 2.25 4.51 0.42 3.14 1.01 -1.26 -4.79 121.20 126.48 2ii8 s ILE 16 Ca -0.05 -0.36 -0.26 0.00 0.00 0.00 0.00 60.65 59.98 2ii8 s ILE 16 Cb -0.06 -3.25 -0.09 0.00 0.01 0.00 0.00 42.46 39.06 2ii8 s ILE 16 CO -0.17 0.14 1.43 -2.16 0.00 0.00 0.00 174.94 174.18 2ii8 s PRO 17 N 1.61 3.85 -1.13 2.79 0.04 -1.26 0.16 135.00 141.06 2ii8 s PRO 17 Ca 0.05 2.44 -0.19 0.00 0.04 0.00 0.00 61.00 63.33 2ii8 s PRO 17 Cb -0.17 -2.77 -0.05 0.00 0.04 0.00 0.00 34.50 31.56 2ii8 s PRO 17 CO 0.06 -0.69 1.98 -0.35 0.04 0.00 0.00 177.00 178.03 2ii8 n PRO 18 N 0.05 2.19 0.02 0.56 -0.04 -1.26 -4.50 135.00 132.02 2ii8 n PRO 18 Ca 0.04 -2.42 0.13 0.00 -0.04 0.00 0.00 63.50 61.20 2ii8 n PRO 18 Cb 0.41 -3.28 0.44 0.00 -0.04 0.00 0.00 33.50 31.04 2ii8 n PRO 18 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2ii8 n TYR 19 N 8.60 0.20 0.00 0.54 0.18 -1.26 -5.01 117.16 120.40 2ii8 n TYR 19 Ca 0.49 0.06 0.00 0.00 1.88 0.00 0.00 57.90 60.33 2ii8 n TYR 19 Cb 0.42 -0.52 0.00 0.00 -0.38 0.00 0.00 39.34 38.87 2ii8 n TYR 19 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2ii8 n GLY 20 N 1.45 -1.48 0.80 -7.48 0.00 -1.26 -4.78 105.19 92.44 2ii8 n GLY 20 Ca 0.06 -2.07 0.11 0.00 0.00 0.00 0.00 46.02 44.12 2ii8 n GLY 20 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ii8 n ASN 21 N 0.00 2.39 -0.99 1.61 3.02 -1.26 -4.90 115.26 115.13 2ii8 n ASN 21 Ca 0.00 -1.83 0.00 0.00 -0.03 0.00 0.00 54.58 52.72 2ii8 n ASN 21 Cb 0.00 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 2ii8 n ASN 21 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ii8 n GLY 22 N 1.28 1.41 3.85 7.41 0.00 -1.26 -5.08 105.19 112.80 2ii8 n GLY 22 Ca 0.17 -1.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.07 2ii8 n GLY 22 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2ii8 s PRO 23 N 2.48 3.26 -0.01 1.61 0.02 -1.26 -4.96 135.00 136.14 2ii8 s PRO 23 Ca 0.00 0.82 -0.30 0.00 0.02 0.00 0.00 61.00 61.54 2ii8 s PRO 23 Cb 0.00 -2.04 -0.09 0.00 0.02 0.00 0.00 34.50 32.40 2ii8 s PRO 23 CO 0.00 -0.84 2.01 -1.91 -0.33 0.00 0.00 177.00 175.93 2ii8 n GLU 24 N -2.94 2.71 -1.04 5.54 2.13 -1.26 -4.90 120.64 120.89 2ii8 n GLU 24 Ca 0.07 0.97 -0.31 0.00 0.66 0.00 0.00 57.16 58.55 2ii8 n GLU 24 Cb 0.54 -3.02 0.13 0.00 0.27 0.00 0.00 31.44 29.35 2ii8 n GLU 24 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2ii8 s PRO 25 N 4.72 1.67 0.22 5.31 0.04 -1.26 -4.91 135.00 140.79 2ii8 s PRO 25 Ca 0.91 1.27 -0.08 0.00 0.04 0.00 0.00 61.00 63.15 2ii8 s PRO 25 Cb -0.44 -1.82 0.31 0.00 0.04 0.00 0.00 34.50 32.59 2ii8 s PRO 25 CO 0.42 -2.09 1.79 0.37 0.04 0.00 0.00 177.00 177.53 2ii8 h GLN 26 N -1.46 0.61 -0.02 4.56 5.75 -2.05 -3.29 115.11 119.20 2ii8 h GLN 26 Ca -0.44 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.03 2ii8 h GLN 26 Cb 1.25 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 29.64 2ii8 h GLN 26 CO 0.48 0.40 -0.23 0.74 -2.65 0.00 0.00 178.83 177.57 2ii8 h PHE 27 N 0.63 -0.69 -3.31 3.99 0.04 -2.02 -3.41 116.94 112.17 2ii8 h PHE 27 Ca 0.33 0.02 -0.53 0.00 2.80 0.00 0.00 57.97 60.60 2ii8 h PHE 27 Cb 0.31 0.30 0.02 0.00 2.20 0.00 0.00 35.95 38.79 2ii8 h PHE 27 CO -0.10 -0.24 0.62 0.96 -0.60 0.00 0.00 178.31 178.94 2ii8 s ILE 28 N -4.18 3.50 0.17 -0.55 -4.36 -1.24 -5.02 121.20 109.52 2ii8 s ILE 28 Ca -0.07 1.18 -0.25 0.00 -0.26 0.00 0.00 60.65 61.25 2ii8 s ILE 28 Cb 0.03 -3.75 -0.08 0.00 1.25 0.00 0.00 42.46 39.90 2ii8 s ILE 28 CO 0.26 0.15 0.78 -0.55 0.24 0.00 0.00 174.94 175.82 2ii8 s SER 29 N 0.54 7.40 0.92 4.36 0.15 -1.26 -4.81 113.70 121.01 2ii8 s SER 29 Ca 0.57 1.66 -0.07 0.00 0.70 0.00 0.00 55.95 58.81 2ii8 s SER 29 Cb -0.34 -2.50 0.11 0.00 -1.71 0.00 0.00 66.02 61.57 2ii8 s SER 29 CO 0.35 0.21 0.64 1.57 1.20 0.00 0.00 173.24 177.20 2ii8 n HIS 30 N 1.58 -3.85 -4.56 3.44 -0.00 -1.26 -5.03 115.22 105.54 2ii8 n HIS 30 Ca -0.06 -0.64 -0.33 0.00 0.46 0.00 0.00 57.72 57.15 2ii8 n HIS 30 Cb 0.49 -0.49 -0.13 0.00 -0.12 0.00 0.00 29.99 29.73 2ii8 n HIS 30 CO 0.00 0.00 0.00 -1.83 0.46 0.00 0.00 176.34 174.97 2ii8 s GLU 31 N -4.34 3.54 -0.05 1.57 -1.05 -1.26 -5.00 118.70 112.11 2ii8 s GLU 31 Ca 0.37 -0.60 0.00 0.00 -0.15 0.00 0.00 54.97 54.60 2ii8 s GLU 31 Cb -0.01 -2.79 0.02 0.00 -0.44 0.00 0.00 34.13 30.92 2ii8 s GLU 31 CO 0.26 0.22 -0.02 0.99 0.95 0.00 0.00 175.26 177.66 2ii8 s THR 32 N 0.38 0.38 -0.28 1.83 2.01 -1.26 -2.52 115.64 116.18 2ii8 s THR 32 Ca -0.07 0.01 -0.24 0.00 0.31 0.00 0.00 61.69 61.70 2ii8 s THR 32 Cb -0.15 -0.46 -0.00 0.00 0.01 0.00 0.00 72.50 71.90 2ii8 s THR 32 CO 0.04 0.21 0.81 -0.69 -0.69 0.00 0.00 174.62 174.30 2ii8 s VAL 33 N 1.21 4.80 -0.24 3.82 1.01 0.99 -2.86 120.40 129.14 2ii8 s VAL 33 Ca -0.07 1.34 -0.15 0.00 0.00 0.00 0.00 61.98 63.10 2ii8 s VAL 33 Cb -0.14 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 2ii8 s VAL 33 CO -0.02 -0.19 0.37 0.00 0.00 0.00 0.00 175.10 175.26 2ii8 s ILE 35 N 1.73 2.56 -0.17 0.00 1.01 0.16 -0.21 121.20 126.28 2ii8 s ILE 35 Ca 0.16 -0.86 -0.02 0.00 0.00 0.00 0.00 60.65 59.93 2ii8 s ILE 35 Cb -0.15 -2.01 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 2ii8 s ILE 35 CO 0.09 0.55 -0.10 -0.22 0.00 0.00 0.00 174.94 175.26 2ii8 s LEU 36 N 0.08 2.77 -0.44 2.97 2.96 0.59 -1.06 118.68 126.55 2ii8 s LEU 36 Ca -0.08 -0.37 -0.06 0.00 -0.22 0.00 0.00 54.13 53.40 2ii8 s LEU 36 Cb -0.15 -1.66 0.11 0.00 0.50 0.00 0.00 46.19 44.99 2ii8 s LEU 36 CO 0.05 0.08 0.27 0.21 -1.32 0.00 0.00 176.35 175.65 2ii8 s ASN 37 N 0.85 5.48 0.00 3.68 3.04 0.71 -1.60 114.94 127.10 2ii8 s ASN 37 Ca -0.03 -1.94 0.26 0.00 0.04 0.00 0.00 52.86 51.19 2ii8 s ASN 37 Cb -0.15 -1.92 0.68 0.00 -1.54 0.00 0.00 41.25 38.32 2ii8 s ASN 37 CO 0.01 -0.61 1.52 0.00 -3.04 0.00 0.00 177.10 174.97 2ii8 n ALA 38 N 4.76 2.98 -2.28 1.71 0.00 -1.26 -0.61 120.51 125.81 2ii8 n ALA 38 Ca -0.05 -0.47 -0.20 0.00 0.00 0.00 0.00 53.44 52.71 2ii8 n ALA 38 Cb 0.41 -1.07 0.14 0.00 0.00 0.00 0.00 19.45 18.93 2ii8 n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ii8 n GLY 39 N 1.31 -0.18 0.57 0.00 0.00 -1.26 -4.47 105.19 101.16 2ii8 n GLY 39 Ca 0.14 -1.90 0.11 0.00 0.00 0.00 0.00 46.02 44.37 2ii8 n GLY 39 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ii8 n ASP 40 N -3.25 2.17 -4.51 1.61 8.00 -1.26 -0.75 116.55 118.56 2ii8 n ASP 40 Ca 0.15 -1.58 -0.32 0.00 0.71 0.00 0.00 54.79 53.74 2ii8 n ASP 40 Cb 0.52 0.38 -0.12 0.00 -0.02 0.00 0.00 41.12 41.89 2ii8 n ASP 40 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2ii8 s GLU 41 N -2.30 2.46 0.45 -1.24 2.12 -1.26 -4.80 118.70 114.13 2ii8 s GLU 41 Ca 0.19 -0.74 -0.25 0.00 0.36 0.00 0.00 54.97 54.54 2ii8 s GLU 41 Cb 0.18 -2.39 -0.09 0.00 0.26 0.00 0.00 34.13 32.09 2ii8 s GLU 41 CO 0.50 0.61 1.34 -0.25 -0.54 0.00 0.00 175.26 176.92 2ii8 n ASP 42 N 2.02 2.86 -4.58 -1.70 9.92 -1.26 -4.12 116.55 119.69 2ii8 n ASP 42 Ca -0.17 1.09 -0.37 0.00 -0.53 0.00 0.00 54.79 54.81 2ii8 n ASP 42 Cb 0.52 -1.55 -0.11 0.00 -0.64 0.00 0.00 41.12 39.34 2ii8 n ASP 42 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2ii8 s ALA 43 N -1.21 3.47 -0.56 2.24 0.00 0.84 -4.82 121.76 121.71 2ii8 s ALA 43 Ca 0.62 -1.04 -0.21 0.00 0.00 0.00 0.00 51.96 51.34 2ii8 s ALA 43 Cb -0.47 -2.34 0.07 0.00 0.00 0.00 0.00 23.12 20.38 2ii8 s ALA 43 CO 0.57 -0.42 0.77 -1.01 0.00 0.00 0.00 175.76 175.66 2ii8 s HIS 44 N 1.51 2.92 0.00 0.00 3.76 -1.26 -1.11 115.29 121.11 2ii8 s HIS 44 Ca 0.07 -0.54 -0.17 0.00 -0.15 0.00 0.00 55.06 54.26 2ii8 s HIS 44 Cb -0.15 -3.89 -0.06 0.00 1.11 0.00 0.00 32.58 29.59 2ii8 s HIS 44 CO 0.08 -1.27 0.49 0.08 -0.85 0.00 0.00 174.74 173.27 2ii8 s VAL 45 N 3.16 4.95 -0.13 -0.90 1.01 0.61 -3.36 120.40 125.74 2ii8 s VAL 45 Ca 0.18 1.02 -0.00 0.00 0.00 0.00 0.00 61.98 63.19 2ii8 s VAL 45 Cb -0.19 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.40 2ii8 s VAL 45 CO 0.12 0.51 -0.11 -1.61 0.00 0.00 0.00 175.10 174.01 2ii8 s GLU 46 N -0.71 1.90 -0.17 2.72 2.02 0.23 -2.09 118.70 122.61 2ii8 s GLU 46 Ca 0.27 -0.40 -0.07 0.00 0.02 0.00 0.00 54.97 54.79 2ii8 s GLU 46 Cb -0.17 -1.83 -0.04 0.00 0.10 0.00 0.00 34.13 32.18 2ii8 s GLU 46 CO 0.15 -0.25 0.06 0.42 0.02 0.00 0.00 175.26 175.66 2ii8 s ILE 47 N 1.59 4.81 -0.09 -1.63 1.01 0.30 -0.67 121.20 126.53 2ii8 s ILE 47 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.67 2ii8 s ILE 47 Cb -0.13 -3.15 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 2ii8 s ILE 47 CO -0.09 0.49 -0.08 -0.89 0.00 0.00 0.00 174.94 174.37 2ii8 s THR 48 N 0.14 3.62 -0.13 2.92 2.01 -0.09 -0.06 115.64 124.05 2ii8 s THR 48 Ca 0.05 -0.50 -0.01 0.00 0.31 0.00 0.00 61.69 61.54 2ii8 s THR 48 Cb -0.12 -2.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.87 2ii8 s THR 48 CO 0.01 0.58 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.79 2ii8 s ILE 49 N -0.51 3.44 0.08 1.82 -1.09 0.49 -1.26 121.20 124.16 2ii8 s ILE 49 Ca 0.08 -0.53 0.06 0.00 -2.23 0.00 0.00 60.65 58.03 2ii8 s ILE 49 Cb -0.12 -2.47 -0.04 0.00 -1.58 0.00 0.00 42.46 38.26 2ii8 s ILE 49 CO 0.02 0.52 -0.08 -0.31 -1.23 0.00 0.00 174.94 173.86 2ii8 s TYR 50 N 0.21 2.80 0.31 3.97 1.51 0.69 -0.68 117.35 126.16 2ii8 s TYR 50 Ca -0.05 -0.12 0.03 0.00 -1.01 0.00 0.00 57.07 55.92 2ii8 s TYR 50 Cb -0.15 -1.49 -0.06 0.00 -0.11 0.00 0.00 41.96 40.16 2ii8 s TYR 50 CO 0.04 0.42 0.06 0.71 -1.11 0.00 0.00 175.55 175.66 2ii8 s TYR 51 N -1.17 1.87 -0.25 2.71 2.02 -1.26 -1.45 117.35 119.81 2ii8 s TYR 51 Ca 0.21 -0.99 0.21 0.00 -0.37 0.00 0.00 57.07 56.14 2ii8 s TYR 51 Cb -0.11 -1.19 0.39 0.00 -0.40 0.00 0.00 41.96 40.65 2ii8 s TYR 51 CO 0.13 -0.05 1.61 0.66 -1.57 0.00 0.00 175.55 176.33 2ii8 h SER 52 N 2.19 0.00 0.00 2.29 4.64 -1.99 -3.40 113.55 117.28 2ii8 h SER 52 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2ii8 h SER 52 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2ii8 h SER 52 CO 0.68 0.19 -0.03 -0.90 -0.87 0.00 0.00 176.83 175.90 2ii8 n ASP 53 N -3.17 0.00 -3.78 4.97 5.68 -1.26 -5.09 116.55 113.90 2ii8 n ASP 53 Ca 0.03 -1.06 -0.10 0.00 -0.50 0.00 0.00 54.79 53.16 2ii8 n ASP 53 Cb 0.57 -0.01 -0.07 0.00 -1.14 0.00 0.00 41.12 40.47 2ii8 n ASP 53 CO 0.00 0.00 0.00 -1.59 -1.33 0.00 0.00 177.20 174.28 2ii8 s LYS 54 N 0.00 0.87 0.64 0.11 -2.85 -1.26 -5.16 119.74 112.09 2ii8 s LYS 54 Ca 0.00 -0.76 -0.17 0.00 -1.00 0.00 0.00 55.97 54.03 2ii8 s LYS 54 Cb 0.00 0.37 -0.04 0.00 -2.06 0.00 0.00 37.83 36.10 2ii8 s LYS 54 CO 0.00 -0.29 0.87 0.39 0.10 0.00 0.00 175.35 176.42 2ii8 n GLU 55 N 0.12 0.69 -1.20 1.78 -0.58 -1.26 -4.16 120.64 116.04 2ii8 n GLU 55 Ca -0.16 0.28 -0.30 0.00 -0.42 0.00 0.00 57.16 56.55 2ii8 n GLU 55 Cb 0.62 -2.10 0.12 0.00 -0.57 0.00 0.00 31.44 29.51 2ii8 n GLU 55 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2ii8 s PRO 56 N -2.83 1.72 -0.05 3.49 0.04 -1.26 -4.76 135.00 131.35 2ii8 s PRO 56 Ca 0.74 1.04 0.04 0.00 0.04 0.00 0.00 61.00 62.86 2ii8 s PRO 56 Cb -0.39 -1.85 -0.00 0.00 0.04 0.00 0.00 34.50 32.30 2ii8 s PRO 56 CO 0.49 -1.98 -0.17 0.08 0.04 0.00 0.00 177.00 175.46 2ii8 s VAL 57 N -2.90 1.46 -5.00 -0.36 1.01 0.14 -4.94 120.40 109.82 2ii8 s VAL 57 Ca 0.62 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.88 2ii8 s VAL 57 Cb -0.18 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 34.94 2ii8 s VAL 57 CO 0.57 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.70 2ii8 n GLY 58 N 3.26 -0.50 3.75 4.51 0.00 -1.26 -0.38 105.19 114.57 2ii8 n GLY 58 Ca -0.19 -1.59 -0.40 0.00 0.00 0.00 0.00 46.02 43.84 2ii8 n GLY 58 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ii8 s PRO 59 N -1.83 4.82 -0.35 1.61 0.04 -1.26 -5.00 135.00 133.04 2ii8 s PRO 59 Ca 0.00 1.54 -0.20 0.00 0.04 0.00 0.00 61.00 62.38 2ii8 s PRO 59 Cb 0.00 -3.27 0.00 0.00 0.04 0.00 0.00 34.50 31.28 2ii8 s PRO 59 CO 0.00 0.47 0.63 0.71 0.04 0.00 0.00 177.00 178.84 2ii8 s TYR 60 N -1.17 3.16 0.17 0.56 1.51 0.92 -4.44 117.35 118.05 2ii8 s TYR 60 Ca 0.42 0.37 -0.07 0.00 -1.01 0.00 0.00 57.07 56.77 2ii8 s TYR 60 Cb -0.27 -3.11 -0.06 0.00 -0.11 0.00 0.00 41.96 38.41 2ii8 s TYR 60 CO 0.34 -0.61 0.44 1.03 -1.11 0.00 0.00 175.55 175.64 2ii8 s ARG 61 N 2.68 3.70 -0.07 -0.62 0.52 -1.26 -0.54 118.95 123.37 2ii8 s ARG 61 Ca 0.24 0.08 -0.30 0.00 -0.52 0.00 0.00 55.73 55.23 2ii8 s ARG 61 Cb -0.15 -2.80 0.11 0.00 0.52 0.00 0.00 34.95 32.64 2ii8 s ARG 61 CO 0.14 0.43 0.97 -0.48 0.02 0.00 0.00 175.30 176.38 2ii8 s LEU 62 N -2.61 -0.32 -0.04 2.53 0.05 -0.89 -5.02 118.68 112.38 2ii8 s LEU 62 Ca 0.42 0.07 0.07 0.00 0.05 0.00 0.00 54.13 54.74 2ii8 s LEU 62 Cb -0.12 1.87 -0.01 0.00 -2.05 0.00 0.00 46.19 45.87 2ii8 s LEU 62 CO 0.23 -0.49 -0.24 -0.89 -0.55 0.00 0.00 176.35 174.40 2ii8 s THR 63 N -2.61 1.95 -0.27 5.48 2.01 -1.26 -0.28 115.64 120.65 2ii8 s THR 63 Ca 0.05 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 61.02 2ii8 s THR 63 Cb -0.01 -1.63 0.05 0.00 0.01 0.00 0.00 72.50 70.92 2ii8 s THR 63 CO -0.06 0.55 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.66 2ii8 s VAL 64 N -0.35 2.56 0.76 3.82 1.01 -0.27 -4.97 120.40 122.97 2ii8 s VAL 64 Ca 0.03 -1.43 -0.13 0.00 0.00 0.00 0.00 61.98 60.45 2ii8 s VAL 64 Cb -0.11 -2.45 0.05 0.00 0.00 0.00 0.00 36.38 33.87 2ii8 s VAL 64 CO 0.01 -0.00 1.13 -2.84 0.00 0.00 0.00 175.10 173.40 2ii8 s PRO 65 N 1.19 2.15 0.04 2.72 0.02 -1.26 -0.11 135.00 139.74 2ii8 s PRO 65 Ca -0.06 1.45 -0.38 0.00 0.02 0.00 0.00 61.00 62.03 2ii8 s PRO 65 Cb -0.19 -1.86 -0.19 0.00 0.02 0.00 0.00 34.50 32.27 2ii8 s PRO 65 CO -0.04 -1.77 1.02 0.00 -0.33 0.00 0.00 177.00 175.88 2ii8 n ALA 66 N -3.15 -3.31 -3.61 -1.55 0.00 -1.26 -2.05 120.51 105.58 2ii8 n ALA 66 Ca 0.11 0.57 -0.26 0.00 0.00 0.00 0.00 53.44 53.86 2ii8 n ALA 66 Cb 0.52 -1.77 0.04 0.00 0.00 0.00 0.00 19.45 18.24 2ii8 n ALA 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ii8 n ARG 67 N 1.51 -5.71 -4.29 0.00 1.74 0.22 -4.97 116.66 105.16 2ii8 n ARG 67 Ca 0.20 0.69 -0.15 0.00 -0.77 0.00 0.00 57.85 57.81 2ii8 n ARG 67 Cb 0.11 -5.59 -0.10 0.00 -1.02 0.00 0.00 32.46 25.86 2ii8 n ARG 67 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2ii8 s ARG 68 N -6.31 1.23 0.31 5.56 1.81 -0.65 -4.98 118.95 115.92 2ii8 s ARG 68 Ca 0.55 -1.61 0.08 0.00 -1.72 0.00 0.00 55.73 53.04 2ii8 s ARG 68 Cb -0.27 -0.46 -0.04 0.00 -0.45 0.00 0.00 34.95 33.73 2ii8 s ARG 68 CO 0.68 -0.10 0.13 -0.08 -0.68 0.00 0.00 175.30 175.24 2ii8 s THR 69 N -3.52 3.40 -0.15 0.02 -1.32 -1.26 -0.21 115.64 112.60 2ii8 s THR 69 Ca 0.26 -1.67 -0.11 0.00 -1.21 0.00 0.00 61.69 58.95 2ii8 s THR 69 Cb 0.06 -3.03 0.05 0.00 -1.51 0.00 0.00 72.50 68.07 2ii8 s THR 69 CO 0.06 -0.26 0.39 -0.75 -2.21 0.00 0.00 174.62 171.86 2ii8 s LYS 70 N -3.82 0.41 -0.19 7.08 2.20 -0.22 -4.91 119.74 120.30 2ii8 s LYS 70 Ca 0.36 0.64 -0.12 0.00 -0.36 0.00 0.00 55.97 56.49 2ii8 s LYS 70 Cb -0.05 0.10 -0.05 0.00 -1.51 0.00 0.00 37.83 36.33 2ii8 s LYS 70 CO 0.23 -0.10 0.22 -1.01 -0.36 0.00 0.00 175.35 174.33 2ii8 s HIS 71 N 0.75 3.40 -0.23 4.03 3.76 -1.26 -0.67 115.29 125.09 2ii8 s HIS 71 Ca -0.04 0.43 -0.02 0.00 -0.15 0.00 0.00 55.06 55.28 2ii8 s HIS 71 Cb -0.05 -2.29 0.01 0.00 1.11 0.00 0.00 32.58 31.36 2ii8 s HIS 71 CO -0.05 0.19 -0.07 0.08 -0.85 0.00 0.00 174.74 174.03 2ii8 s VAL 72 N 0.64 2.96 -0.11 -0.90 1.01 0.17 -4.96 120.40 119.22 2ii8 s VAL 72 Ca 0.12 -0.78 -0.24 0.00 0.00 0.00 0.00 61.98 61.08 2ii8 s VAL 72 Cb -0.13 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 2ii8 s VAL 72 CO 0.02 0.35 0.73 -0.13 0.00 0.00 0.00 175.10 176.07 2ii8 s ARG 73 N 1.39 4.37 0.37 2.72 0.52 -1.26 -0.00 118.95 127.05 2ii8 s ARG 73 Ca 0.03 0.89 0.09 0.00 -0.52 0.00 0.00 55.73 56.22 2ii8 s ARG 73 Cb -0.15 -3.50 0.83 0.00 0.52 0.00 0.00 34.95 32.65 2ii8 s ARG 73 CO -0.05 -0.09 1.90 0.74 0.02 0.00 0.00 175.30 177.82 2ii8 h PHE 74 N 7.02 0.76 -0.02 -0.53 0.04 -1.90 -1.32 116.94 120.99 2ii8 h PHE 74 Ca -0.36 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.43 2ii8 h PHE 74 Cb 1.17 -0.24 -0.00 0.00 2.20 0.00 0.00 35.95 39.08 2ii8 h PHE 74 CO 0.68 0.32 0.02 -0.97 -0.60 0.00 0.00 178.31 177.75 2ii8 h ASN 75 N 0.67 0.00 0.93 2.17 -0.00 -1.93 -2.59 115.58 114.84 2ii8 h ASN 75 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.70 2ii8 h ASN 75 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.93 2ii8 h ASN 75 CO -0.16 0.00 -0.16 0.47 -0.00 0.00 0.00 177.43 177.57 2ii8 n ASP 76 N -4.32 0.27 -4.73 1.15 8.00 -0.50 -4.86 116.55 111.56 2ii8 n ASP 76 Ca -0.03 0.30 -0.41 0.00 0.71 0.00 0.00 54.79 55.36 2ii8 n ASP 76 Cb 0.11 -0.31 -0.03 0.00 -0.02 0.00 0.00 41.12 40.86 2ii8 n ASP 76 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2ii8 s LEU 77 N -3.28 4.41 0.00 0.64 1.02 -0.98 -4.89 118.68 115.60 2ii8 s LEU 77 Ca 0.12 2.26 0.00 0.00 0.02 0.00 0.00 54.13 56.54 2ii8 s LEU 77 Cb 0.17 -3.60 0.00 0.00 0.02 0.00 0.00 46.19 42.78 2ii8 s LEU 77 CO 0.59 -0.48 0.00 -0.46 0.02 0.00 0.00 176.35 176.02 2ii8 n ASN 78 N 3.00 0.00 -4.19 2.29 6.94 -1.26 -4.09 115.26 117.95 2ii8 n ASN 78 Ca 0.07 0.00 -0.35 0.00 -0.02 0.00 0.00 54.58 54.28 2ii8 n ASN 78 Cb 0.44 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.72 2ii8 n ASN 78 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2ii8 s ASP 79 N 0.00 4.60 0.32 0.53 -1.08 -1.26 -0.54 116.67 119.23 2ii8 s ASP 79 Ca 0.00 -1.07 0.26 0.00 -0.52 0.00 0.00 52.55 51.22 2ii8 s ASP 79 Cb 0.00 -1.68 0.74 0.00 -1.46 0.00 0.00 42.92 40.51 2ii8 s ASP 79 CO 0.00 -0.19 1.74 1.55 0.52 0.00 0.00 175.17 178.79 2ii8 h PRO 80 N 8.00 0.00 -1.57 4.34 0.13 -1.95 -3.39 132.00 137.56 2ii8 h PRO 80 Ca -0.27 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.94 2ii8 h PRO 80 Cb 1.08 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 31.98 2ii8 h PRO 80 CO 0.55 0.00 0.53 0.00 -0.23 0.00 0.00 178.00 178.85 2ii8 s ALA 81 N -3.22 -1.94 0.67 -0.56 0.00 0.30 -5.13 121.76 111.88 2ii8 s ALA 81 Ca 0.08 1.64 -0.15 0.00 0.00 0.00 0.00 51.96 53.52 2ii8 s ALA 81 Cb 0.09 -0.84 0.01 0.00 0.00 0.00 0.00 23.12 22.38 2ii8 s ALA 81 CO 0.59 -0.29 1.14 -2.14 0.00 0.00 0.00 175.76 175.05 2ii8 s PRO 82 N -0.86 2.63 -0.13 0.00 0.02 -1.23 -4.15 135.00 131.28 2ii8 s PRO 82 Ca -0.01 1.52 -0.24 0.00 0.02 0.00 0.00 61.00 62.29 2ii8 s PRO 82 Cb -0.01 -1.92 -0.03 0.00 0.02 0.00 0.00 34.50 32.56 2ii8 s PRO 82 CO 0.00 -1.41 0.75 0.42 -0.33 0.00 0.00 177.00 176.43 2ii8 s ILE 83 N -2.19 4.98 0.50 2.83 1.01 -1.26 -5.01 121.20 122.06 2ii8 s ILE 83 Ca 0.70 1.49 -0.23 0.00 0.00 0.00 0.00 60.65 62.60 2ii8 s ILE 83 Cb -0.23 -4.07 -0.07 0.00 0.01 0.00 0.00 42.46 38.10 2ii8 s ILE 83 CO 0.42 0.14 1.39 -0.81 0.00 0.00 0.00 174.94 176.07 2ii8 n PRO 84 N 4.54 1.94 -2.31 2.79 -0.04 -1.26 -4.99 135.00 135.67 2ii8 n PRO 84 Ca 0.01 0.70 -0.26 0.00 -0.04 0.00 0.00 63.50 63.91 2ii8 n PRO 84 Cb 0.50 -2.59 0.05 0.00 -0.04 0.00 0.00 33.50 31.42 2ii8 n PRO 84 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2ii8 s HIS 85 N -1.24 3.05 -1.29 0.54 3.76 -1.26 -4.03 115.29 114.81 2ii8 s HIS 85 Ca 0.67 0.50 -0.08 0.00 -0.15 0.00 0.00 55.06 56.00 2ii8 s HIS 85 Cb -0.43 -2.98 0.06 0.00 1.11 0.00 0.00 32.58 30.34 2ii8 s HIS 85 CO 0.53 -1.13 0.46 -3.47 -0.85 0.00 0.00 174.74 170.28 2ii8 n ASP 86 N -2.75 -4.01 -3.94 1.40 2.03 0.43 -4.87 116.55 104.84 2ii8 n ASP 86 Ca 0.07 -0.33 -0.21 0.00 0.52 0.00 0.00 54.79 54.84 2ii8 n ASP 86 Cb 0.59 -3.31 -0.16 0.00 -0.72 0.00 0.00 41.12 37.52 2ii8 n ASP 86 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2ii8 s THR 87 N -2.93 0.71 0.17 5.18 2.01 -1.26 -5.00 115.64 114.52 2ii8 s THR 87 Ca 0.35 -0.25 -0.30 0.00 0.31 0.00 0.00 61.69 61.81 2ii8 s THR 87 Cb -0.18 -0.69 -0.07 0.00 0.01 0.00 0.00 72.50 71.57 2ii8 s THR 87 CO 0.44 0.25 1.09 -1.81 -0.69 0.00 0.00 174.62 173.90 2ii8 s ASP 88 N 0.70 7.27 0.34 3.53 1.01 -1.26 -4.20 116.67 124.06 2ii8 s ASP 88 Ca -0.11 2.06 -0.02 0.00 0.71 0.00 0.00 52.55 55.20 2ii8 s ASP 88 Cb -0.14 -2.60 -0.00 0.00 1.01 0.00 0.00 42.92 41.19 2ii8 s ASP 88 CO 0.01 -0.22 0.45 0.72 0.21 0.00 0.00 175.17 176.34 2ii8 s PHE 89 N -0.15 1.12 0.07 4.23 -0.71 -0.33 -4.39 117.98 117.81 2ii8 s PHE 89 Ca 0.50 -1.32 -0.05 0.00 -1.04 0.00 0.00 56.93 55.02 2ii8 s PHE 89 Cb -0.29 -0.14 -0.02 0.00 -1.21 0.00 0.00 43.02 41.36 2ii8 s PHE 89 CO 0.34 -1.11 0.08 0.00 -1.34 0.00 0.00 175.22 173.20 2ii8 s ALA 90 N -3.11 0.12 0.07 1.99 0.00 -0.53 -0.82 121.76 119.47 2ii8 s ALA 90 Ca 0.31 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.41 2ii8 s ALA 90 Cb -0.00 0.37 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 2ii8 s ALA 90 CO 0.21 -0.43 -0.06 -1.54 0.00 0.00 0.00 175.76 173.93 2ii8 s SER 91 N -2.82 0.90 -0.12 0.00 1.04 -0.17 -0.22 113.70 112.31 2ii8 s SER 91 Ca 0.05 -0.81 0.02 0.00 0.48 0.00 0.00 55.95 55.70 2ii8 s SER 91 Cb 0.06 0.09 -0.00 0.00 0.10 0.00 0.00 66.02 66.26 2ii8 s SER 91 CO -0.10 -0.38 -0.20 -0.69 0.98 0.00 0.00 173.24 172.85 2ii8 s VAL 92 N -2.71 2.40 -0.28 5.02 1.01 -0.39 -0.46 120.40 124.99 2ii8 s VAL 92 Ca 0.02 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 2ii8 s VAL 92 Cb -0.01 -1.96 0.03 0.00 0.00 0.00 0.00 36.38 34.44 2ii8 s VAL 92 CO -0.03 0.55 0.01 -0.63 0.00 0.00 0.00 175.10 174.99 2ii8 s ILE 93 N 0.41 3.30 0.06 2.22 1.01 0.17 -0.91 121.20 127.46 2ii8 s ILE 93 Ca -0.15 -1.02 0.06 0.00 0.00 0.00 0.00 60.65 59.55 2ii8 s ILE 93 Cb -0.17 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.51 2ii8 s ILE 93 CO 0.07 0.06 -0.11 -1.10 0.00 0.00 0.00 174.94 173.85 2ii8 s GLN 94 N 1.37 2.23 0.02 2.79 -0.21 0.16 -0.85 119.66 125.17 2ii8 s GLN 94 Ca -0.00 -0.92 -0.06 0.00 0.02 0.00 0.00 55.36 54.39 2ii8 s GLN 94 Cb -0.18 -2.33 -0.01 0.00 1.00 0.00 0.00 33.01 31.50 2ii8 s GLN 94 CO -0.01 0.55 0.10 0.45 -2.12 0.00 0.00 175.29 174.26 2ii8 s SER 95 N -1.74 0.12 0.30 5.90 0.15 0.25 -0.60 113.70 118.08 2ii8 s SER 95 Ca 0.18 -0.41 0.11 0.00 0.70 0.00 0.00 55.95 56.53 2ii8 s SER 95 Cb -0.11 0.21 0.44 0.00 -1.71 0.00 0.00 66.02 64.86 2ii8 s SER 95 CO 0.09 -0.44 1.66 -0.55 1.20 0.00 0.00 173.24 175.20 2ii8 h ASN 96 N 3.95 0.00 -3.15 5.45 -1.07 -1.87 -3.44 115.58 115.46 2ii8 h ASN 96 Ca -0.32 0.00 -0.51 0.00 0.07 0.00 0.00 56.30 55.54 2ii8 h ASN 96 Cb 1.19 0.00 -0.16 0.00 -2.07 0.00 0.00 38.32 37.28 2ii8 h ASN 96 CO 0.46 0.56 -0.76 0.68 0.07 0.00 0.00 177.43 178.44 2ii8 s VAL 97 N -3.74 1.92 0.30 6.14 -7.23 -1.26 -5.04 120.40 111.48 2ii8 s VAL 97 Ca -0.02 -2.14 -0.30 0.00 -1.81 0.00 0.00 61.98 57.72 2ii8 s VAL 97 Cb 0.13 -2.02 -0.12 0.00 0.56 0.00 0.00 36.38 34.93 2ii8 s VAL 97 CO 0.75 -0.45 1.49 -2.65 -0.31 0.00 0.00 175.10 173.94 2ii8 n PRO 98 N -0.17 2.46 -4.20 4.82 -0.02 -1.26 -4.58 135.00 132.04 2ii8 n PRO 98 Ca -0.09 0.87 -0.12 0.00 -2.02 0.00 0.00 63.50 62.14 2ii8 n PRO 98 Cb 0.59 -2.59 -0.10 0.00 -0.02 0.00 0.00 33.50 31.38 2ii8 n PRO 98 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2ii8 s ILE 99 N -0.32 0.43 -0.17 4.25 -4.36 -0.59 -4.64 121.20 115.80 2ii8 s ILE 99 Ca 0.62 -1.94 -0.03 0.00 -0.26 0.00 0.00 60.65 59.04 2ii8 s ILE 99 Cb -0.54 -2.07 -0.02 0.00 1.25 0.00 0.00 42.46 41.08 2ii8 s ILE 99 CO 0.53 -0.49 -0.05 -0.69 0.24 0.00 0.00 174.94 174.48 2ii8 s VAL 100 N -3.83 3.63 -0.09 8.37 1.01 -0.63 -0.80 120.40 128.07 2ii8 s VAL 100 Ca 0.23 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.82 2ii8 s VAL 100 Cb 0.07 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.84 2ii8 s VAL 100 CO 0.03 0.47 -0.23 -0.69 0.00 0.00 0.00 175.10 174.68 2ii8 s VAL 101 N 0.72 2.17 0.12 2.92 1.01 -1.26 -0.30 120.40 125.78 2ii8 s VAL 101 Ca -0.02 -0.99 0.05 0.00 0.00 0.00 0.00 61.98 61.01 2ii8 s VAL 101 Cb -0.15 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.37 2ii8 s VAL 101 CO 0.02 0.56 -0.12 -1.58 0.00 0.00 0.00 175.10 173.98 2ii8 s GLN 102 N 0.17 0.98 -0.17 2.72 0.74 0.71 -4.99 119.66 119.82 2ii8 s GLN 102 Ca -0.13 -1.27 0.00 0.00 0.05 0.00 0.00 55.36 54.02 2ii8 s GLN 102 Cb -0.16 -0.72 0.03 0.00 1.10 0.00 0.00 33.01 33.26 2ii8 s GLN 102 CO 0.07 0.12 -0.12 -1.58 -0.55 0.00 0.00 175.29 173.23 2ii8 s HIS 103 N -2.53 2.24 0.00 1.67 5.65 -1.26 0.08 115.29 121.13 2ii8 s HIS 103 Ca 0.10 -1.37 0.00 0.00 0.25 0.00 0.00 55.06 54.04 2ii8 s HIS 103 Cb -0.02 -1.59 0.00 0.00 -1.18 0.00 0.00 32.58 29.79 2ii8 s HIS 103 CO 0.02 -0.70 0.43 0.25 -0.65 0.00 0.00 174.74 174.09