#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 -0.80 -0.28 1.04 2.96 -1.26 -5.11 118.68 115.22 2ii8 s LEU 2 Ca 0.00 1.24 0.01 0.00 -0.22 0.00 0.00 54.13 55.16 2ii8 s LEU 2 Cb 0.00 1.78 0.08 0.00 0.50 0.00 0.00 46.19 48.56 2ii8 s LEU 2 CO 0.00 -0.22 0.02 -0.55 -1.32 0.00 0.00 176.35 174.27 2ii8 s SER 3 N 2.53 4.14 -0.02 3.68 0.15 -1.26 -4.07 113.70 118.86 2ii8 s SER 3 Ca -0.05 -1.56 0.03 0.00 0.70 0.00 0.00 55.95 55.07 2ii8 s SER 3 Cb -0.11 -1.21 -0.00 0.00 -1.71 0.00 0.00 66.02 62.98 2ii8 s SER 3 CO -0.16 -0.32 -0.11 -0.63 1.20 0.00 0.00 173.24 173.22 2ii8 s ILE 4 N 1.32 0.86 0.00 6.45 1.01 -1.26 -5.08 121.20 124.51 2ii8 s ILE 4 Ca 0.03 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.24 2ii8 s ILE 4 Cb -0.18 -0.74 0.00 0.00 0.01 0.00 0.00 42.46 41.55 2ii8 s ILE 4 CO -0.12 0.25 0.00 0.61 0.00 0.00 0.00 174.94 175.68 2ii8 n GLY 5 N 2.98 -0.02 3.76 6.18 0.00 -1.26 -3.89 105.19 112.93 2ii8 n GLY 5 Ca -0.15 -1.93 -0.08 0.00 0.00 0.00 0.00 46.02 43.86 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 1.69 0.00 1.61 1.70 -0.16 -4.71 118.95 119.08 2ii8 s ARG 6 Ca 0.00 -1.02 0.26 0.00 -0.47 0.00 0.00 55.73 54.50 2ii8 s ARG 6 Cb 0.00 0.57 0.61 0.00 -0.57 0.00 0.00 34.95 35.56 2ii8 s ARG 6 CO 0.00 -0.75 1.48 0.25 -1.08 0.00 0.00 175.30 175.19 2ii8 n THR 7 N -0.43 0.00 -3.80 4.99 -2.24 -1.26 -1.87 114.28 109.67 2ii8 n THR 7 Ca -0.04 -0.09 -0.17 0.00 -2.27 0.00 0.00 64.05 61.47 2ii8 n THR 7 Cb 0.60 0.41 -0.17 0.00 -2.10 0.00 0.00 70.33 69.07 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 1.36 0.83 -0.03 0.00 0.52 0.11 -5.00 118.94 116.73 2ii8 s TRP 9 Ca -0.05 -0.18 0.07 0.00 0.02 0.00 0.00 56.10 55.96 2ii8 s TRP 9 Cb -0.13 -0.57 -0.02 0.00 -1.15 0.00 0.00 33.47 31.61 2ii8 s TRP 9 CO -0.03 -0.05 -0.24 0.00 0.02 0.00 0.00 176.95 176.65 2ii8 s ALA 10 N -0.01 2.01 -0.25 0.98 0.00 -1.26 0.30 121.76 123.54 2ii8 s ALA 10 Ca 0.00 -1.02 0.02 0.00 0.00 0.00 0.00 51.96 50.97 2ii8 s ALA 10 Cb -0.06 -0.55 0.06 0.00 0.00 0.00 0.00 23.12 22.57 2ii8 s ALA 10 CO -0.00 0.46 -0.11 0.42 0.00 0.00 0.00 175.76 176.53 2ii8 s ILE 11 N -0.43 2.05 -0.29 0.00 1.01 0.83 -5.00 121.20 119.37 2ii8 s ILE 11 Ca 0.05 -1.48 0.21 0.00 0.00 0.00 0.00 60.65 59.42 2ii8 s ILE 11 Cb -0.11 -2.15 0.24 0.00 0.01 0.00 0.00 42.46 40.46 2ii8 s ILE 11 CO 0.00 0.03 1.57 0.00 0.00 0.00 0.00 174.94 176.55 2ii8 h ALA 12 N 7.82 0.88 -2.07 9.38 0.00 -1.91 -0.51 119.26 132.85 2ii8 h ALA 12 Ca -0.22 -0.17 -0.46 0.00 0.00 0.00 0.00 54.91 54.06 2ii8 h ALA 12 Cb 1.06 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.83 2ii8 h ALA 12 CO 0.47 0.24 -0.22 -2.00 0.00 0.00 0.00 179.25 177.74 2ii8 s GLU 13 N -3.15 3.24 0.00 0.00 2.56 -1.26 -4.44 118.70 115.65 2ii8 s GLU 13 Ca 0.05 -0.60 0.00 0.00 0.00 0.00 0.00 54.97 54.42 2ii8 s GLU 13 Cb 0.06 -2.69 0.00 0.00 2.00 0.00 0.00 34.13 33.50 2ii8 s GLU 13 CO 0.69 0.01 0.00 0.41 -0.56 0.00 0.00 175.26 175.81 2ii8 n GLY 14 N -1.81 1.88 3.48 -1.50 0.00 -0.80 -4.48 105.19 101.96 2ii8 n GLY 14 Ca -0.02 0.20 0.01 0.00 0.00 0.00 0.00 46.02 46.21 2ii8 n GLY 14 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2ii8 s TYR 15 N -0.11 -0.88 -0.34 1.61 6.14 -1.26 -1.25 117.35 121.26 2ii8 s TYR 15 Ca 0.00 1.53 -0.12 0.00 0.64 0.00 0.00 57.07 59.11 2ii8 s TYR 15 Cb 0.00 0.53 -0.02 0.00 0.42 0.00 0.00 41.96 42.89 2ii8 s TYR 15 CO 0.00 -0.44 0.23 0.42 0.64 0.00 0.00 175.55 176.40 2ii8 s ILE 16 N 2.59 5.20 0.50 3.14 1.01 -1.26 -4.91 121.20 127.46 2ii8 s ILE 16 Ca -0.04 -0.24 -0.23 0.00 0.00 0.00 0.00 60.65 60.14 2ii8 s ILE 16 Cb -0.08 -3.67 -0.06 0.00 0.01 0.00 0.00 42.46 38.66 2ii8 s ILE 16 CO -0.18 -0.00 1.34 -2.16 0.00 0.00 0.00 174.94 173.94 2ii8 s PRO 17 N 1.71 3.41 0.00 2.79 0.04 -1.26 0.19 135.00 141.88 2ii8 s PRO 17 Ca 0.06 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.29 2ii8 s PRO 17 Cb -0.17 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 31.97 2ii8 s PRO 17 CO 0.10 -0.96 0.93 -0.35 0.04 0.00 0.00 177.00 176.76 2ii8 n PRO 18 N -0.68 0.54 0.00 0.56 -0.04 -1.26 -4.56 135.00 129.56 2ii8 n PRO 18 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2ii8 n PRO 18 Cb 0.45 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 2ii8 n PRO 18 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2ii8 n GLU 31 N 1.43 0.00 -4.21 0.54 2.13 -1.26 -5.02 120.64 114.26 2ii8 n GLU 31 Ca 0.00 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.63 2ii8 n GLU 31 Cb 0.27 0.00 -0.16 0.00 0.27 0.00 0.00 31.44 31.82 2ii8 n GLU 31 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2ii8 s THR 32 N 0.00 0.55 -0.28 6.31 2.01 -1.26 -2.49 115.64 120.48 2ii8 s THR 32 Ca 0.00 -0.19 -0.17 0.00 0.31 0.00 0.00 61.69 61.64 2ii8 s THR 32 Cb 0.00 -0.54 -0.03 0.00 0.01 0.00 0.00 72.50 71.95 2ii8 s THR 32 CO 0.00 0.20 0.48 -0.69 -0.69 0.00 0.00 174.62 173.92 2ii8 s VAL 33 N 0.56 5.09 -0.23 3.82 1.01 0.96 0.23 120.40 131.84 2ii8 s VAL 33 Ca -0.07 0.72 -0.10 0.00 0.00 0.00 0.00 61.98 62.52 2ii8 s VAL 33 Cb -0.11 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 2ii8 s VAL 33 CO 0.00 0.06 0.15 0.00 0.00 0.00 0.00 175.10 175.31 2ii8 s ILE 35 N 0.82 1.76 -0.14 0.00 1.01 0.48 -0.79 121.20 124.34 2ii8 s ILE 35 Ca 0.08 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.84 2ii8 s ILE 35 Cb -0.13 -1.51 -0.01 0.00 0.01 0.00 0.00 42.46 40.82 2ii8 s ILE 35 CO 0.02 0.50 -0.14 -0.22 0.00 0.00 0.00 174.94 175.10 2ii8 s LEU 36 N 0.07 2.63 -0.43 2.97 2.96 0.50 -0.89 118.68 126.51 2ii8 s LEU 36 Ca -0.07 -0.37 -0.06 0.00 -0.22 0.00 0.00 54.13 53.40 2ii8 s LEU 36 Cb -0.14 -1.59 0.10 0.00 0.50 0.00 0.00 46.19 45.06 2ii8 s LEU 36 CO 0.04 0.14 0.25 0.21 -1.32 0.00 0.00 176.35 175.67 2ii8 s ASN 37 N 0.48 5.45 0.00 3.68 3.04 0.27 -1.32 114.94 126.55 2ii8 s ASN 37 Ca -0.10 -1.86 0.28 0.00 0.04 0.00 0.00 52.86 51.22 2ii8 s ASN 37 Cb -0.16 -1.91 1.00 0.00 -1.54 0.00 0.00 41.25 38.64 2ii8 s ASN 37 CO 0.04 -0.58 1.71 0.00 -3.04 0.00 0.00 177.10 175.24 2ii8 n ALA 38 N 4.76 2.73 -2.27 1.71 0.00 -1.26 -1.28 120.51 124.89 2ii8 n ALA 38 Ca -0.06 -0.42 -0.13 0.00 0.00 0.00 0.00 53.44 52.83 2ii8 n ALA 38 Cb 0.41 -1.17 0.08 0.00 0.00 0.00 0.00 19.45 18.77 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 1.22 0.31 0.77 0.00 0.00 -1.26 -4.51 105.19 101.71 2ii8 n GLY 39 Ca 0.17 -1.94 0.12 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 -3.05 2.48 -4.33 1.61 8.00 -1.26 -1.11 116.55 118.89 2ii8 n ASP 40 Ca 0.09 -1.78 -0.30 0.00 0.71 0.00 0.00 54.79 53.51 2ii8 n ASP 40 Cb 0.33 0.08 -0.15 0.00 -0.02 0.00 0.00 41.12 41.36 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 -2.10 1.91 0.47 -1.24 2.12 -1.26 -4.81 118.70 113.78 2ii8 s GLU 41 Ca 0.28 -1.05 -0.24 0.00 0.36 0.00 0.00 54.97 54.32 2ii8 s GLU 41 Cb 0.20 -2.00 -0.07 0.00 0.26 0.00 0.00 34.13 32.52 2ii8 s GLU 41 CO 0.36 0.53 1.34 -0.51 -0.54 0.00 0.00 175.26 176.44 2ii8 s ASP 42 N -1.01 5.85 -0.26 -1.70 1.01 -1.26 -4.23 116.67 115.06 2ii8 s ASP 42 Ca 0.11 2.73 -0.13 0.00 0.71 0.00 0.00 52.55 55.97 2ii8 s ASP 42 Cb -0.10 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.15 2ii8 s ASP 42 CO 0.01 -1.17 0.27 0.00 0.21 0.00 0.00 175.17 174.49 2ii8 s ALA 43 N -1.29 3.56 -0.49 5.23 0.00 0.59 -4.85 121.76 124.51 2ii8 s ALA 43 Ca 0.63 -0.90 -0.18 0.00 0.00 0.00 0.00 51.96 51.51 2ii8 s ALA 43 Cb -0.39 -2.56 0.06 0.00 0.00 0.00 0.00 23.12 20.23 2ii8 s ALA 43 CO 0.49 -0.51 0.55 -1.01 0.00 0.00 0.00 175.76 175.28 2ii8 s HIS 44 N 1.72 3.11 -0.10 0.00 3.76 -1.26 -0.56 115.29 121.96 2ii8 s HIS 44 Ca 0.11 -0.61 -0.10 0.00 -0.15 0.00 0.00 55.06 54.31 2ii8 s HIS 44 Cb -0.15 -3.36 -0.05 0.00 1.11 0.00 0.00 32.58 30.12 2ii8 s HIS 44 CO 0.09 -0.93 0.23 0.08 -0.85 0.00 0.00 174.74 173.36 2ii8 s VAL 45 N 2.33 5.34 -0.08 -0.90 1.01 -0.04 -3.34 120.40 124.73 2ii8 s VAL 45 Ca 0.12 0.42 0.03 0.00 0.00 0.00 0.00 61.98 62.56 2ii8 s VAL 45 Cb -0.20 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.66 2ii8 s VAL 45 CO 0.11 0.55 -0.18 -1.61 0.00 0.00 0.00 175.10 173.98 2ii8 s GLU 46 N -0.66 2.27 -0.09 2.72 2.02 -0.12 -1.89 118.70 122.95 2ii8 s GLU 46 Ca 0.17 -0.63 0.01 0.00 0.02 0.00 0.00 54.97 54.54 2ii8 s GLU 46 Cb -0.13 -1.79 -0.02 0.00 0.10 0.00 0.00 34.13 32.28 2ii8 s GLU 46 CO 0.06 0.11 -0.13 0.42 0.02 0.00 0.00 175.26 175.75 2ii8 s ILE 47 N 0.46 3.16 -0.08 -1.63 1.01 -0.09 -0.71 121.20 123.32 2ii8 s ILE 47 Ca -0.15 -0.66 0.02 0.00 0.00 0.00 0.00 60.65 59.86 2ii8 s ILE 47 Cb -0.16 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 2ii8 s ILE 47 CO 0.06 0.56 -0.15 -0.89 0.00 0.00 0.00 174.94 174.52 2ii8 s THR 48 N -0.24 2.97 -0.16 2.92 2.01 -0.25 -0.70 115.64 122.18 2ii8 s THR 48 Ca 0.02 -0.73 -0.05 0.00 0.31 0.00 0.00 61.69 61.23 2ii8 s THR 48 Cb -0.13 -2.19 -0.03 0.00 0.01 0.00 0.00 72.50 70.16 2ii8 s THR 48 CO 0.03 0.56 0.01 -0.63 -0.69 0.00 0.00 174.62 173.91 2ii8 s ILE 49 N -0.28 4.37 -0.00 1.82 -1.09 -0.21 -1.42 121.20 124.39 2ii8 s ILE 49 Ca 0.02 -0.19 0.03 0.00 -2.23 0.00 0.00 60.65 58.28 2ii8 s ILE 49 Cb -0.13 -2.93 -0.03 0.00 -1.58 0.00 0.00 42.46 37.79 2ii8 s ILE 49 CO 0.03 0.49 -0.07 -0.31 -1.23 0.00 0.00 174.94 173.84 2ii8 s TYR 50 N 0.23 2.87 0.42 3.97 1.51 0.12 -0.65 117.35 125.82 2ii8 s TYR 50 Ca 0.01 -0.05 0.05 0.00 -1.01 0.00 0.00 57.07 56.08 2ii8 s TYR 50 Cb -0.13 -1.61 -0.06 0.00 -0.11 0.00 0.00 41.96 40.05 2ii8 s TYR 50 CO 0.02 0.36 0.02 0.71 -1.11 0.00 0.00 175.55 175.54 2ii8 s TYR 51 N -0.97 2.31 -0.69 2.71 2.02 -1.26 -1.45 117.35 120.02 2ii8 s TYR 51 Ca 0.16 -0.77 0.26 0.00 -0.37 0.00 0.00 57.07 56.35 2ii8 s TYR 51 Cb -0.11 -1.68 0.71 0.00 -0.40 0.00 0.00 41.96 40.48 2ii8 s TYR 51 CO 0.07 0.34 1.72 0.66 -1.57 0.00 0.00 175.55 176.77 2ii8 h SER 52 N 1.72 0.00 0.00 2.29 4.64 -1.99 -3.39 113.55 116.82 2ii8 h SER 52 Ca -0.43 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2ii8 h SER 52 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2ii8 h SER 52 CO 0.78 0.01 0.00 -0.90 -0.87 0.00 0.00 176.83 175.85 2ii8 n ASP 53 N -2.36 0.00 -3.95 4.97 5.68 -1.26 -5.10 116.55 114.52 2ii8 n ASP 53 Ca 0.05 -1.00 -0.09 0.00 -0.50 0.00 0.00 54.79 53.25 2ii8 n ASP 53 Cb 0.44 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.35 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 1.08 0.74 0.11 -2.85 -1.26 -5.14 119.74 112.41 2ii8 s LYS 54 Ca 0.00 -1.15 -0.15 0.00 -1.00 0.00 0.00 55.97 53.67 2ii8 s LYS 54 Cb 0.00 0.36 0.05 0.00 -2.06 0.00 0.00 37.83 36.18 2ii8 s LYS 54 CO 0.00 -0.38 1.23 -1.21 0.10 0.00 0.00 175.35 175.09 2ii8 s GLU 55 N -3.95 2.00 0.74 1.78 0.41 -1.26 -4.11 118.70 114.31 2ii8 s GLU 55 Ca 0.15 1.85 -0.11 0.00 -0.41 0.00 0.00 54.97 56.45 2ii8 s GLU 55 Cb 0.04 -1.81 0.04 0.00 -1.78 0.00 0.00 34.13 30.62 2ii8 s GLU 55 CO -0.02 -1.96 1.09 -1.25 -0.49 0.00 0.00 175.26 172.63 2ii8 s PRO 56 N -3.86 2.42 -0.10 0.39 0.04 -1.26 -4.72 135.00 127.91 2ii8 s PRO 56 Ca 0.76 1.19 0.04 0.00 0.04 0.00 0.00 61.00 63.03 2ii8 s PRO 56 Cb -0.31 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.31 2ii8 s PRO 56 CO 0.46 -1.52 -0.22 0.08 0.04 0.00 0.00 177.00 175.84 2ii8 s VAL 57 N -2.81 1.92 -5.00 -0.36 1.01 0.18 -4.94 120.40 110.39 2ii8 s VAL 57 Ca 0.62 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.67 2ii8 s VAL 57 Cb -0.17 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.53 2ii8 s VAL 57 CO 0.53 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.77 2ii8 n GLY 58 N 3.64 -1.72 3.74 4.51 0.00 -1.26 -1.04 105.19 113.06 2ii8 n GLY 58 Ca -0.20 -1.27 -0.41 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.00 4.68 -0.16 1.61 0.04 -1.26 -4.98 135.00 132.94 2ii8 s PRO 59 Ca 0.00 1.64 -0.25 0.00 0.04 0.00 0.00 61.00 62.42 2ii8 s PRO 59 Cb 0.00 -3.28 -0.02 0.00 0.04 0.00 0.00 34.50 31.24 2ii8 s PRO 59 CO 0.00 0.22 0.84 0.71 0.04 0.00 0.00 177.00 178.81 2ii8 s TYR 60 N -0.57 3.44 -0.09 0.56 1.51 0.12 -4.39 117.35 117.93 2ii8 s TYR 60 Ca 0.46 1.28 -0.02 0.00 -1.01 0.00 0.00 57.07 57.79 2ii8 s TYR 60 Cb -0.28 -3.01 -0.03 0.00 -0.11 0.00 0.00 41.96 38.52 2ii8 s TYR 60 CO 0.34 -0.21 -0.01 1.03 -1.11 0.00 0.00 175.55 175.59 2ii8 s ARG 61 N 2.03 3.02 0.17 -0.62 0.52 -1.26 -0.92 118.95 121.89 2ii8 s ARG 61 Ca 0.39 -0.43 -0.18 0.00 -0.52 0.00 0.00 55.73 54.99 2ii8 s ARG 61 Cb -0.17 -2.79 0.04 0.00 0.52 0.00 0.00 34.95 32.55 2ii8 s ARG 61 CO 0.13 0.66 0.50 -0.48 0.02 0.00 0.00 175.30 176.13 2ii8 s LEU 62 N -0.76 0.06 -0.07 2.53 0.05 -0.79 -5.02 118.68 114.66 2ii8 s LEU 62 Ca 0.12 -0.35 0.05 0.00 0.05 0.00 0.00 54.13 54.00 2ii8 s LEU 62 Cb -0.11 2.14 -0.01 0.00 -2.05 0.00 0.00 46.19 46.15 2ii8 s LEU 62 CO 0.02 -0.98 -0.24 -0.89 -0.55 0.00 0.00 176.35 173.71 2ii8 s THR 63 N -3.83 2.14 -0.29 5.48 2.01 -1.26 -0.86 115.64 119.03 2ii8 s THR 63 Ca 0.06 -1.02 0.01 0.00 0.31 0.00 0.00 61.69 61.05 2ii8 s THR 63 Cb -0.00 -1.80 0.06 0.00 0.01 0.00 0.00 72.50 70.77 2ii8 s THR 63 CO -0.07 0.57 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.70 2ii8 s VAL 64 N 0.01 2.60 0.79 3.82 1.01 0.27 -4.98 120.40 123.92 2ii8 s VAL 64 Ca -0.08 -1.61 -0.13 0.00 0.00 0.00 0.00 61.98 60.16 2ii8 s VAL 64 Cb -0.15 -2.56 0.07 0.00 0.00 0.00 0.00 36.38 33.74 2ii8 s VAL 64 CO 0.05 -0.15 1.18 -2.84 0.00 0.00 0.00 175.10 173.35 2ii8 s PRO 65 N 1.15 1.82 0.15 2.72 0.02 -1.26 -0.30 135.00 139.30 2ii8 s PRO 65 Ca -0.05 1.66 -0.33 0.00 0.02 0.00 0.00 61.00 62.30 2ii8 s PRO 65 Cb -0.20 -1.81 -0.17 0.00 0.02 0.00 0.00 34.50 32.35 2ii8 s PRO 65 CO -0.03 -2.06 1.05 0.00 -0.33 0.00 0.00 177.00 175.63 2ii8 n ALA 66 N -3.21 -1.58 -3.64 -1.55 0.00 -1.26 -2.00 120.51 107.27 2ii8 n ALA 66 Ca 0.13 0.48 -0.27 0.00 0.00 0.00 0.00 53.44 53.78 2ii8 n ALA 66 Cb 0.51 -1.92 0.02 0.00 0.00 0.00 0.00 19.45 18.06 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 1.60 -4.79 -4.29 0.00 1.74 -0.26 -4.98 116.66 105.68 2ii8 n ARG 67 Ca 0.16 0.60 -0.16 0.00 -0.77 0.00 0.00 57.85 57.69 2ii8 n ARG 67 Cb 0.22 -5.44 -0.10 0.00 -1.02 0.00 0.00 32.46 26.12 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 -6.33 1.18 0.25 5.56 1.81 -0.85 -4.98 118.95 115.60 2ii8 s ARG 68 Ca 0.55 -1.53 0.07 0.00 -1.72 0.00 0.00 55.73 53.10 2ii8 s ARG 68 Cb -0.27 -0.74 -0.04 0.00 -0.45 0.00 0.00 34.95 33.45 2ii8 s ARG 68 CO 0.67 0.07 0.18 -0.08 -0.68 0.00 0.00 175.30 175.45 2ii8 s THR 69 N -3.26 4.33 -0.21 0.02 -1.32 -1.26 -0.57 115.64 113.38 2ii8 s THR 69 Ca 0.20 -1.46 -0.15 0.00 -1.21 0.00 0.00 61.69 59.07 2ii8 s THR 69 Cb 0.02 -3.34 0.06 0.00 -1.51 0.00 0.00 72.50 67.73 2ii8 s THR 69 CO 0.04 -0.35 0.53 -0.75 -2.21 0.00 0.00 174.62 171.87 2ii8 s LYS 70 N -3.83 0.57 -0.22 7.08 2.20 -0.06 -4.92 119.74 120.56 2ii8 s LYS 70 Ca 0.33 0.86 -0.09 0.00 -0.36 0.00 0.00 55.97 56.70 2ii8 s LYS 70 Cb -0.08 0.17 -0.04 0.00 -1.51 0.00 0.00 37.83 36.36 2ii8 s LYS 70 CO 0.24 -0.12 0.11 -1.01 -0.36 0.00 0.00 175.35 174.22 2ii8 s HIS 71 N 0.92 3.27 -0.19 4.03 3.76 -1.26 -0.38 115.29 125.43 2ii8 s HIS 71 Ca -0.05 0.10 -0.01 0.00 -0.15 0.00 0.00 55.06 54.95 2ii8 s HIS 71 Cb -0.05 -2.19 0.00 0.00 1.11 0.00 0.00 32.58 31.45 2ii8 s HIS 71 CO -0.08 0.06 -0.13 0.08 -0.85 0.00 0.00 174.74 173.82 2ii8 s VAL 72 N 0.84 2.74 -0.13 -0.90 1.01 0.25 -4.96 120.40 119.26 2ii8 s VAL 72 Ca 0.06 -0.72 -0.21 0.00 0.00 0.00 0.00 61.98 61.11 2ii8 s VAL 72 Cb -0.13 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 2ii8 s VAL 72 CO 0.03 0.49 0.62 -0.13 0.00 0.00 0.00 175.10 176.10 2ii8 s ARG 73 N 1.23 4.33 0.29 2.72 0.52 -1.26 -0.02 118.95 126.76 2ii8 s ARG 73 Ca 0.03 0.68 -0.01 0.00 -0.52 0.00 0.00 55.73 55.91 2ii8 s ARG 73 Cb -0.14 -3.49 0.47 0.00 0.52 0.00 0.00 34.95 32.31 2ii8 s ARG 73 CO -0.06 -0.02 1.91 0.74 0.02 0.00 0.00 175.30 177.90 2ii8 h PHE 74 N 7.00 1.10 -0.99 -0.53 0.04 -1.89 -1.48 116.94 120.19 2ii8 h PHE 74 Ca -0.38 0.03 0.27 0.00 2.80 0.00 0.00 57.97 60.69 2ii8 h PHE 74 Cb 1.17 -0.36 -0.06 0.00 2.20 0.00 0.00 35.95 38.90 2ii8 h PHE 74 CO 0.66 0.59 0.68 -0.97 -0.60 0.00 0.00 178.31 178.68 2ii8 h ASN 75 N 1.10 0.19 0.51 2.17 -0.00 -1.94 -2.64 115.58 114.98 2ii8 h ASN 75 Ca 0.39 0.03 0.00 0.00 -0.00 0.00 0.00 56.30 56.72 2ii8 h ASN 75 Cb 0.13 -0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.45 2ii8 h ASN 75 CO -0.14 0.05 -0.11 0.47 -0.00 0.00 0.00 177.43 177.71 2ii8 n ASP 76 N -4.39 0.31 -4.73 1.15 8.00 -0.56 -4.87 116.55 111.46 2ii8 n ASP 76 Ca 0.22 -0.29 -0.41 0.00 0.71 0.00 0.00 54.79 55.01 2ii8 n ASP 76 Cb 0.94 -0.15 -0.04 0.00 -0.02 0.00 0.00 41.12 41.85 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 -2.63 4.49 0.00 0.64 1.02 -0.99 -4.90 118.68 116.31 2ii8 s LEU 77 Ca 0.25 1.99 0.00 0.00 0.02 0.00 0.00 54.13 56.39 2ii8 s LEU 77 Cb 0.20 -3.60 0.00 0.00 0.02 0.00 0.00 46.19 42.81 2ii8 s LEU 77 CO 0.50 -0.17 0.00 -0.46 0.02 0.00 0.00 176.35 176.24 2ii8 n ASN 78 N 2.52 0.00 -4.31 2.29 6.94 -1.26 -4.06 115.26 117.38 2ii8 n ASN 78 Ca 0.03 0.00 -0.37 0.00 -0.02 0.00 0.00 54.58 54.22 2ii8 n ASN 78 Cb 0.47 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.76 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 5.09 0.00 0.53 -1.08 -1.26 -0.62 116.67 119.33 2ii8 s ASP 79 Ca 0.00 -0.84 0.28 0.00 -0.52 0.00 0.00 52.55 51.47 2ii8 s ASP 79 Cb 0.00 -1.85 1.12 0.00 -1.46 0.00 0.00 42.92 40.73 2ii8 s ASP 79 CO 0.00 -0.22 1.83 -0.81 0.52 0.00 0.00 175.17 176.49 2ii8 n PRO 80 N 4.83 0.12 -3.59 4.34 -0.04 -1.26 -4.28 135.00 135.12 2ii8 n PRO 80 Ca -0.14 -0.02 -0.08 0.00 -0.04 0.00 0.00 63.50 63.21 2ii8 n PRO 80 Cb 0.47 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.38 2ii8 n PRO 80 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ii8 s ALA 81 N -2.90 -1.98 0.64 0.55 0.00 0.20 -5.12 121.76 113.16 2ii8 s ALA 81 Ca 0.17 1.67 -0.15 0.00 0.00 0.00 0.00 51.96 53.64 2ii8 s ALA 81 Cb 0.19 -0.92 -0.01 0.00 0.00 0.00 0.00 23.12 22.38 2ii8 s ALA 81 CO 0.55 -0.30 1.11 -2.14 0.00 0.00 0.00 175.76 174.98 2ii8 s PRO 82 N -1.11 2.90 -0.20 0.00 0.02 -1.23 -4.13 135.00 131.24 2ii8 s PRO 82 Ca 0.01 1.39 -0.23 0.00 0.02 0.00 0.00 61.00 62.20 2ii8 s PRO 82 Cb -0.01 -1.96 -0.02 0.00 0.02 0.00 0.00 34.50 32.53 2ii8 s PRO 82 CO -0.01 -1.17 0.73 0.42 -0.33 0.00 0.00 177.00 176.64 2ii8 s ILE 83 N -2.30 4.94 0.48 2.83 1.01 -1.26 -5.01 121.20 121.89 2ii8 s ILE 83 Ca 0.67 1.39 -0.24 0.00 0.00 0.00 0.00 60.65 62.48 2ii8 s ILE 83 Cb -0.20 -4.04 -0.08 0.00 0.01 0.00 0.00 42.46 38.15 2ii8 s ILE 83 CO 0.40 0.04 1.27 -0.81 0.00 0.00 0.00 174.94 175.84 2ii8 n PRO 84 N 5.33 1.77 -2.07 2.79 -0.04 -1.26 -4.98 135.00 136.55 2ii8 n PRO 84 Ca 0.02 0.64 -0.27 0.00 -0.04 0.00 0.00 63.50 63.84 2ii8 n PRO 84 Cb 0.49 -2.43 0.08 0.00 -0.04 0.00 0.00 33.50 31.60 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 -1.26 2.86 -1.08 0.54 3.76 -1.26 -4.05 115.29 114.80 2ii8 s HIS 85 Ca 0.66 0.56 -0.02 0.00 -0.15 0.00 0.00 55.06 56.10 2ii8 s HIS 85 Cb -0.47 -3.36 0.02 0.00 1.11 0.00 0.00 32.58 29.88 2ii8 s HIS 85 CO 0.54 -1.62 0.14 -3.47 -0.85 0.00 0.00 174.74 169.48 2ii8 n ASP 86 N -3.12 -3.83 -3.96 1.40 2.03 0.49 -4.91 116.55 104.65 2ii8 n ASP 86 Ca 0.08 0.05 -0.23 0.00 0.52 0.00 0.00 54.79 55.22 2ii8 n ASP 86 Cb 0.61 -3.24 -0.17 0.00 -0.72 0.00 0.00 41.12 37.61 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 -2.69 0.87 0.25 5.18 2.01 -1.26 -5.02 115.64 114.99 2ii8 s THR 87 Ca 0.10 -0.31 -0.30 0.00 0.31 0.00 0.00 61.69 61.50 2ii8 s THR 87 Cb -0.05 -0.84 -0.09 0.00 0.01 0.00 0.00 72.50 71.52 2ii8 s THR 87 CO 0.13 0.30 1.26 -1.81 -0.69 0.00 0.00 174.62 173.81 2ii8 s ASP 88 N 0.88 6.95 0.33 3.53 1.01 -1.26 -4.25 116.67 123.87 2ii8 s ASP 88 Ca -0.11 2.45 -0.08 0.00 0.71 0.00 0.00 52.55 55.52 2ii8 s ASP 88 Cb -0.15 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.17 2ii8 s ASP 88 CO 0.01 -0.44 0.54 0.72 0.21 0.00 0.00 175.17 176.21 2ii8 s PHE 89 N -0.53 0.71 0.15 4.23 -0.71 -0.38 -4.33 117.98 117.12 2ii8 s PHE 89 Ca 0.52 -1.06 -0.09 0.00 -1.04 0.00 0.00 56.93 55.25 2ii8 s PHE 89 Cb -0.36 0.17 -0.01 0.00 -1.21 0.00 0.00 43.02 41.61 2ii8 s PHE 89 CO 0.43 -1.20 0.28 0.00 -1.34 0.00 0.00 175.22 173.39 2ii8 s ALA 90 N -3.12 -0.06 0.03 1.99 0.00 -0.53 -1.90 121.76 118.18 2ii8 s ALA 90 Ca 0.26 -0.83 -0.04 0.00 0.00 0.00 0.00 51.96 51.35 2ii8 s ALA 90 Cb -0.01 0.80 -0.01 0.00 0.00 0.00 0.00 23.12 23.90 2ii8 s ALA 90 CO 0.16 -0.63 0.07 -1.54 0.00 0.00 0.00 175.76 173.82 2ii8 s SER 91 N -2.95 0.18 -0.11 0.00 1.04 -0.20 0.14 113.70 111.80 2ii8 s SER 91 Ca 0.15 -0.49 0.02 0.00 0.48 0.00 0.00 55.95 56.11 2ii8 s SER 91 Cb 0.03 0.19 -0.01 0.00 0.10 0.00 0.00 66.02 66.33 2ii8 s SER 91 CO -0.02 -0.44 -0.18 -0.69 0.98 0.00 0.00 173.24 172.90 2ii8 s VAL 92 N -2.17 2.66 -0.22 5.02 1.01 -0.51 -0.12 120.40 126.07 2ii8 s VAL 92 Ca -0.09 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 2ii8 s VAL 92 Cb -0.04 -2.07 -0.00 0.00 0.00 0.00 0.00 36.38 34.27 2ii8 s VAL 92 CO -0.03 0.54 -0.07 -0.63 0.00 0.00 0.00 175.10 174.92 2ii8 s ILE 93 N 0.27 3.13 0.15 2.22 1.01 0.15 -1.09 121.20 127.03 2ii8 s ILE 93 Ca -0.12 -0.62 0.11 0.00 0.00 0.00 0.00 60.65 60.02 2ii8 s ILE 93 Cb -0.16 -2.43 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 2ii8 s ILE 93 CO 0.07 0.42 -0.23 -1.10 0.00 0.00 0.00 174.94 174.09 2ii8 s GLN 94 N 1.44 1.57 0.04 2.79 -0.21 0.11 -0.71 119.66 124.68 2ii8 s GLN 94 Ca 0.05 -1.36 -0.10 0.00 0.02 0.00 0.00 55.36 53.97 2ii8 s GLN 94 Cb -0.14 -1.95 0.01 0.00 1.00 0.00 0.00 33.01 31.92 2ii8 s GLN 94 CO -0.05 0.44 0.21 0.45 -2.12 0.00 0.00 175.29 174.22 2ii8 s SER 95 N -2.32 0.02 0.31 5.90 0.15 0.42 -0.94 113.70 117.23 2ii8 s SER 95 Ca 0.18 -0.35 0.15 0.00 0.70 0.00 0.00 55.95 56.63 2ii8 s SER 95 Cb -0.09 0.29 0.44 0.00 -1.71 0.00 0.00 66.02 64.95 2ii8 s SER 95 CO 0.09 -0.56 1.63 -0.55 1.20 0.00 0.00 173.24 175.04 2ii8 h ASN 96 N 3.44 0.00 -3.72 5.45 -1.07 -1.86 -3.44 115.58 114.38 2ii8 h ASN 96 Ca -0.32 0.00 -0.45 0.00 0.07 0.00 0.00 56.30 55.60 2ii8 h ASN 96 Cb 1.19 0.00 -0.17 0.00 -2.07 0.00 0.00 38.32 37.27 2ii8 h ASN 96 CO 0.48 0.52 -0.76 0.68 0.07 0.00 0.00 177.43 178.42 2ii8 s VAL 97 N -3.47 1.56 0.33 6.14 -7.23 -1.26 -5.03 120.40 111.44 2ii8 s VAL 97 Ca 0.00 -1.89 -0.29 0.00 -1.81 0.00 0.00 61.98 57.99 2ii8 s VAL 97 Cb 0.11 -1.75 -0.11 0.00 0.56 0.00 0.00 36.38 35.19 2ii8 s VAL 97 CO 0.73 -0.43 1.47 -2.84 -0.31 0.00 0.00 175.10 173.72 2ii8 s PRO 98 N -2.95 4.18 0.10 4.82 0.02 -1.26 -4.55 135.00 135.36 2ii8 s PRO 98 Ca 0.14 2.47 0.01 0.00 0.02 0.00 0.00 61.00 63.64 2ii8 s PRO 98 Cb -0.04 -3.02 -0.04 0.00 0.02 0.00 0.00 34.50 31.42 2ii8 s PRO 98 CO 0.05 -0.48 -0.04 0.96 -0.33 0.00 0.00 177.00 177.16 2ii8 s ILE 99 N -0.71 0.55 -0.14 2.83 -4.36 -0.78 -4.69 121.20 113.91 2ii8 s ILE 99 Ca 0.55 -1.91 -0.02 0.00 -0.26 0.00 0.00 60.65 59.01 2ii8 s ILE 99 Cb -0.45 -1.74 -0.03 0.00 1.25 0.00 0.00 42.46 41.50 2ii8 s ILE 99 CO 0.55 -0.81 -0.06 -0.69 0.24 0.00 0.00 174.94 174.17 2ii8 s VAL 100 N -3.72 3.72 -0.06 8.37 1.01 -0.43 -0.99 120.40 128.30 2ii8 s VAL 100 Ca 0.14 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.72 2ii8 s VAL 100 Cb 0.06 -2.60 0.00 0.00 0.00 0.00 0.00 36.38 33.84 2ii8 s VAL 100 CO -0.04 0.52 -0.17 -0.69 0.00 0.00 0.00 175.10 174.72 2ii8 s VAL 101 N 0.16 1.42 -0.01 2.92 1.01 -1.26 -0.37 120.40 124.27 2ii8 s VAL 101 Ca -0.03 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.30 2ii8 s VAL 101 Cb -0.14 -1.24 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 2ii8 s VAL 101 CO 0.03 0.41 -0.09 -1.58 0.00 0.00 0.00 175.10 173.87 2ii8 s GLN 102 N 0.24 0.78 -0.15 2.72 0.74 0.03 -5.00 119.66 119.02 2ii8 s GLN 102 Ca -0.08 -0.33 -0.06 0.00 0.05 0.00 0.00 55.36 54.93 2ii8 s GLN 102 Cb -0.13 -0.75 -0.04 0.00 1.10 0.00 0.00 33.01 33.19 2ii8 s GLN 102 CO 0.03 0.20 0.05 -1.58 -0.55 0.00 0.00 175.29 173.44 2ii8 s HIS 103 N -0.19 3.27 0.00 1.67 5.65 -1.26 -0.44 115.29 123.99 2ii8 s HIS 103 Ca 0.03 0.14 0.00 0.00 0.25 0.00 0.00 55.06 55.49 2ii8 s HIS 103 Cb -0.04 -1.99 0.00 0.00 -1.18 0.00 0.00 32.58 29.37 2ii8 s HIS 103 CO -0.00 0.29 0.00 -2.37 -0.65 0.00 0.00 174.74 172.01