#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ar0 n ASP 3 N 0.00 0.00 -4.67 1.61 9.92 -1.26 -5.06 116.55 117.09 1ar0 n ASP 3 Ca 0.00 0.00 -0.42 0.00 -0.53 0.00 0.00 54.79 53.84 1ar0 n ASP 3 Cb 0.00 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 1ar0 n ASP 3 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1ar0 s LYS 4 N 0.00 4.30 0.63 -1.24 2.20 -1.26 -5.02 119.74 119.34 1ar0 s LYS 4 Ca 0.00 1.14 -0.18 0.00 -0.36 0.00 0.00 55.97 56.57 1ar0 s LYS 4 Cb 0.00 -3.59 -0.03 0.00 -1.51 0.00 0.00 37.83 32.70 1ar0 s LYS 4 CO 0.00 -0.41 1.16 -2.30 -0.36 0.00 0.00 175.35 173.44 1ar0 n PRO 5 N 5.52 1.06 0.01 4.03 -0.02 -1.26 -4.80 135.00 139.54 1ar0 n PRO 5 Ca 0.07 0.41 0.03 0.00 -2.02 0.00 0.00 63.50 61.99 1ar0 n PRO 5 Cb 0.48 -2.39 0.39 0.00 -0.02 0.00 0.00 33.50 31.96 1ar0 n PRO 5 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1ar0 h ILE 6 N 0.55 1.14 -0.03 4.25 2.10 -1.99 -2.04 117.51 121.49 1ar0 h ILE 6 Ca -0.50 -0.40 -0.08 0.00 1.08 0.00 0.00 64.86 64.95 1ar0 h ILE 6 Cb 1.35 0.70 -0.01 0.00 -1.09 0.00 0.00 36.82 37.76 1ar0 h ILE 6 CO 0.52 0.16 -0.37 4.11 -1.08 0.00 0.00 178.15 181.49 1ar0 h TRP 7 N 0.50 0.06 -0.26 2.19 0.09 -1.97 0.69 115.95 117.25 1ar0 h TRP 7 Ca 0.13 -0.01 -0.15 0.00 0.09 0.00 0.00 58.89 58.95 1ar0 h TRP 7 Cb 0.09 -0.01 -0.00 0.00 0.08 0.00 0.00 29.16 29.31 1ar0 h TRP 7 CO 0.00 0.42 -0.41 0.93 0.09 0.00 0.00 178.44 179.47 1ar0 h GLU 8 N 0.05 0.74 0.37 0.12 5.08 -1.72 -0.01 114.58 119.21 1ar0 h GLU 8 Ca 0.00 -0.45 -0.02 0.00 -1.00 0.00 0.00 59.36 57.90 1ar0 h GLU 8 Cb 0.68 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1ar0 h GLU 8 CO 0.05 1.07 -0.18 1.96 -1.00 0.00 0.00 179.01 180.91 1ar0 h GLN 9 N 0.48 -0.48 -0.12 2.33 4.20 -0.95 -2.15 115.11 118.42 1ar0 h GLN 9 Ca 0.02 0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 1ar0 h GLN 9 Cb 1.00 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.89 1ar0 h GLN 9 CO 0.09 -0.25 -0.02 0.82 -0.67 0.00 0.00 178.83 178.80 1ar0 h ILE 10 N -0.61 1.27 0.21 2.54 2.04 -0.95 -2.78 117.51 119.24 1ar0 h ILE 10 Ca -0.05 -0.90 0.01 0.00 1.00 0.00 0.00 64.86 64.92 1ar0 h ILE 10 Cb 0.45 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 1ar0 h ILE 10 CO 0.08 0.26 -0.46 1.23 0.00 0.00 0.00 178.15 179.26 1ar0 h GLY 11 N -0.07 -1.01 0.19 5.37 0.00 -1.05 0.14 103.07 106.64 1ar0 h GLY 11 Ca 0.03 0.56 0.12 0.00 0.00 0.00 0.00 47.33 48.04 1ar0 h GLY 11 CO 0.01 -0.29 0.20 1.76 0.00 0.00 0.00 176.54 178.22 1ar0 h SER 12 N -0.76 0.12 0.27 0.19 0.02 -1.47 -0.07 113.55 111.85 1ar0 h SER 12 Ca -0.00 0.11 -0.15 0.00 -0.84 0.00 0.00 61.79 60.90 1ar0 h SER 12 Cb 0.74 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.39 1ar0 h SER 12 CO -0.21 0.06 -0.60 0.77 -1.14 0.00 0.00 176.83 175.71 1ar0 h SER 13 N 0.34 0.37 0.32 3.07 4.64 -1.30 -2.41 113.55 118.58 1ar0 h SER 13 Ca 0.35 -0.21 -0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1ar0 h SER 13 Cb 0.52 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.48 1ar0 h SER 13 CO -0.39 0.88 -0.29 0.15 -0.87 0.00 0.00 176.83 176.31 1ar0 h PHE 14 N 0.25 -0.77 -0.39 4.77 3.57 -0.46 -1.76 116.94 122.14 1ar0 h PHE 14 Ca -0.00 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.58 1ar0 h PHE 14 Cb 1.11 0.30 -0.09 0.00 2.79 0.00 0.00 35.95 40.06 1ar0 h PHE 14 CO 0.03 -0.42 -0.30 0.82 -2.23 0.00 0.00 178.31 176.21 1ar0 h ILE 15 N -0.63 0.26 -0.16 1.41 1.08 -0.92 0.21 117.51 118.76 1ar0 h ILE 15 Ca -0.02 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.49 1ar0 h ILE 15 Cb 0.57 0.26 -0.04 0.00 -3.07 0.00 0.00 36.82 34.54 1ar0 h ILE 15 CO -0.04 0.00 -0.09 -0.61 -0.69 0.00 0.00 178.15 176.72 1ar0 h GLN 16 N -0.23 -0.08 -0.33 2.37 4.15 -1.42 -1.93 115.11 117.64 1ar0 h GLN 16 Ca 0.18 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 1ar0 h GLN 16 Cb 0.52 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.21 1ar0 h GLN 16 CO -0.53 -0.05 0.16 1.25 -1.93 0.00 0.00 178.83 177.73 1ar0 h HIS 17 N -0.08 0.48 0.03 3.99 2.76 -0.93 -2.14 115.15 119.26 1ar0 h HIS 17 Ca 0.09 -0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.26 1ar0 h HIS 17 Cb 0.21 -0.15 -0.04 0.00 1.55 0.00 0.00 27.41 28.99 1ar0 h HIS 17 CO -0.23 0.43 -0.22 -0.92 -1.30 0.00 0.00 177.93 175.69 1ar0 h TYR 18 N 0.40 -0.59 0.00 5.26 3.20 -0.32 -1.70 116.97 123.22 1ar0 h TYR 18 Ca 0.11 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.95 1ar0 h TYR 18 Cb 0.13 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 1ar0 h TYR 18 CO -0.02 -0.31 -0.26 1.88 -1.64 0.00 0.00 178.16 177.82 1ar0 h TYR 19 N -0.37 0.00 -0.09 -3.82 0.05 -1.34 0.29 116.97 111.69 1ar0 h TYR 19 Ca 0.05 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 1ar0 h TYR 19 Cb 0.43 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.17 1ar0 h TYR 19 CO -0.25 0.26 0.02 0.37 -1.05 0.00 0.00 178.16 177.51 1ar0 h GLN 20 N 0.00 0.15 0.09 4.88 5.75 -1.22 -0.21 115.11 124.56 1ar0 h GLN 20 Ca -0.00 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1ar0 h GLN 20 Cb 0.61 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.14 1ar0 h GLN 20 CO 0.03 0.34 -0.05 -0.07 -2.65 0.00 0.00 178.83 176.44 1ar0 h LEU 21 N -0.06 -0.11 -0.43 -2.39 4.07 -1.13 -2.20 115.31 113.06 1ar0 h LEU 21 Ca 0.03 -0.20 0.09 0.00 0.08 0.00 0.00 57.88 57.87 1ar0 h LEU 21 Cb 0.26 0.03 -0.08 0.00 1.08 0.00 0.00 40.66 41.95 1ar0 h LEU 21 CO 0.00 0.14 -0.12 0.15 -1.08 0.00 0.00 178.44 177.54 1ar0 h PHE 22 N -0.36 -0.26 0.00 1.13 3.04 -0.34 -1.11 116.94 119.04 1ar0 h PHE 22 Ca -0.01 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.98 1ar0 h PHE 22 Cb 0.30 0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.99 1ar0 h PHE 22 CO 0.00 -0.20 0.00 -0.44 -2.02 0.00 0.00 178.31 175.66 1ar0 h ASP 23 N -0.01 0.00 0.00 0.41 3.32 -1.02 -3.37 116.42 115.75 1ar0 h ASP 23 Ca 0.21 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 57.04 1ar0 h ASP 23 Cb 0.33 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 1ar0 h ASP 23 CO -0.45 0.00 -1.78 0.59 -1.72 0.00 0.00 179.24 175.88 1ar0 n ASN 24 N -2.31 1.98 -3.15 6.45 3.02 -0.83 -4.62 115.26 115.80 1ar0 n ASN 24 Ca 0.05 0.05 0.04 0.00 -0.03 0.00 0.00 54.58 54.69 1ar0 n ASN 24 Cb 0.40 -0.32 -0.00 0.00 -0.61 0.00 0.00 39.78 39.25 1ar0 n ASN 24 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ar0 s ASP 25 N -5.79 -1.51 0.00 6.41 2.15 -0.46 -5.06 116.67 112.41 1ar0 s ASP 25 Ca -0.19 0.02 0.04 0.00 0.43 0.00 0.00 52.55 52.85 1ar0 s ASP 25 Cb 0.06 1.94 0.22 0.00 -0.30 0.00 0.00 42.92 44.85 1ar0 s ASP 25 CO 0.28 -0.26 1.15 -2.11 -0.17 0.00 0.00 175.17 174.06 1ar0 n ARG 26 N 5.21 1.05 0.06 4.34 1.85 -1.23 -2.65 116.66 125.28 1ar0 n ARG 26 Ca 0.06 -0.08 0.13 0.00 -1.00 0.00 0.00 57.85 56.96 1ar0 n ARG 26 Cb 0.55 -1.07 0.33 0.00 -1.05 0.00 0.00 32.46 31.22 1ar0 n ARG 26 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1ar0 n THR 27 N -0.48 0.32 1.09 8.89 -2.24 -1.26 -3.15 114.28 117.45 1ar0 n THR 27 Ca 0.03 -0.19 0.11 0.00 -2.27 0.00 0.00 64.05 61.73 1ar0 n THR 27 Cb 0.03 -0.28 0.35 0.00 -2.10 0.00 0.00 70.33 68.33 1ar0 n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ar0 n GLN 28 N -1.97 1.88 0.17 -0.78 6.02 -1.08 -4.33 117.38 117.28 1ar0 n GLN 28 Ca 0.05 -1.32 0.13 0.00 -0.01 0.00 0.00 57.00 55.86 1ar0 n GLN 28 Cb 0.41 -1.42 0.42 0.00 1.02 0.00 0.00 30.24 30.66 1ar0 n GLN 28 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1ar0 h LEU 29 N 2.70 0.00 -2.18 1.08 5.85 -1.74 -3.27 115.31 117.74 1ar0 h LEU 29 Ca 0.00 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1ar0 h LEU 29 Cb 0.59 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 1ar0 h LEU 29 CO 0.00 0.00 0.04 1.23 -0.34 0.00 0.00 178.44 179.37 1ar0 h GLY 30 N 3.40 0.00 2.00 3.75 0.00 -1.84 -2.69 103.07 107.70 1ar0 h GLY 30 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1ar0 h GLY 30 CO 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 176.54 176.47 1ar0 h ALA 31 N 1.96 1.76 -0.00 3.60 0.00 -1.92 -2.82 119.26 121.83 1ar0 h ALA 31 Ca 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1ar0 h ALA 31 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1ar0 h ALA 31 CO -0.00 0.09 -0.51 0.44 0.00 0.00 0.00 179.25 179.27 1ar0 n ILE 32 N -4.27 0.00 -3.98 0.00 -6.64 -1.01 -4.92 119.36 98.54 1ar0 n ILE 32 Ca -0.03 -0.03 -0.22 0.00 -1.77 0.00 0.00 62.75 60.71 1ar0 n ILE 32 Cb 0.15 0.37 -0.04 0.00 -1.44 0.00 0.00 39.64 38.68 1ar0 n ILE 32 CO 0.00 0.00 0.00 -0.31 -1.77 0.00 0.00 176.55 174.47 1ar0 s TYR 33 N -2.90 2.94 0.23 4.28 2.02 -1.07 0.03 117.35 122.89 1ar0 s TYR 33 Ca 0.13 -0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.60 1ar0 s TYR 33 Cb 0.18 -1.60 -0.00 0.00 -0.40 0.00 0.00 41.96 40.13 1ar0 s TYR 33 CO 0.68 0.35 0.01 0.44 -1.57 0.00 0.00 175.55 175.46 1ar0 n ILE 34 N -1.25 0.00 0.17 2.71 -5.35 -1.26 -4.92 119.36 109.46 1ar0 n ILE 34 Ca -0.04 -1.11 0.03 0.00 -0.27 0.00 0.00 62.75 61.36 1ar0 n ILE 34 Cb 0.59 0.24 0.25 0.00 -1.74 0.00 0.00 39.64 38.99 1ar0 n ILE 34 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1ar0 h ASP 35 N 0.59 0.00 -0.08 7.28 3.32 -1.97 -2.35 116.42 123.21 1ar0 h ASP 35 Ca -0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1ar0 h ASP 35 Cb 0.59 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.14 1ar0 h ASP 35 CO 0.31 0.47 0.00 0.00 -1.72 0.00 0.00 179.24 178.31 1ar0 n ALA 36 N -2.32 2.57 -1.19 3.45 0.00 -1.26 -3.47 120.51 118.28 1ar0 n ALA 36 Ca -0.00 -0.38 -0.33 0.00 0.00 0.00 0.00 53.44 52.73 1ar0 n ALA 36 Cb 0.57 -1.20 0.11 0.00 0.00 0.00 0.00 19.45 18.93 1ar0 n ALA 36 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ar0 s SER 37 N -1.71 3.97 -0.05 0.00 0.01 -0.89 -4.76 113.70 110.28 1ar0 s SER 37 Ca 0.34 2.23 0.01 0.00 1.31 0.00 0.00 55.95 59.84 1ar0 s SER 37 Cb 0.18 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.86 1ar0 s SER 37 CO 0.28 -2.40 -0.03 0.00 0.41 0.00 0.00 173.24 171.49 1ar0 s LEU 39 N 1.06 2.05 -0.26 0.00 2.96 -0.46 -0.94 118.68 123.08 1ar0 s LEU 39 Ca -0.09 -0.53 0.01 0.00 -0.22 0.00 0.00 54.13 53.30 1ar0 s LEU 39 Cb -0.14 -1.35 0.05 0.00 0.50 0.00 0.00 46.19 45.25 1ar0 s LEU 39 CO -0.01 0.16 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.21 1ar0 s THR 40 N 0.30 2.48 -0.35 3.68 2.01 -0.15 0.16 115.64 123.76 1ar0 s THR 40 Ca -0.17 -1.43 -0.01 0.00 0.31 0.00 0.00 61.69 60.39 1ar0 s THR 40 Cb -0.17 -2.39 0.08 0.00 0.01 0.00 0.00 72.50 70.03 1ar0 s THR 40 CO 0.08 0.03 0.09 0.86 -0.69 0.00 0.00 174.62 174.99 1ar0 s TRP 41 N 1.19 3.47 -1.32 4.92 -0.11 -0.40 -1.02 118.94 125.66 1ar0 s TRP 41 Ca -0.06 -2.25 -0.02 0.00 1.22 0.00 0.00 56.10 55.00 1ar0 s TRP 41 Cb -0.19 -2.68 0.01 0.00 -1.50 0.00 0.00 33.47 29.11 1ar0 s TRP 41 CO -0.05 -0.89 0.77 1.63 -4.62 0.00 0.00 176.95 173.79 1ar0 n LYS 42 N 4.56 -5.23 -0.27 5.86 5.02 -0.30 -2.19 118.16 125.61 1ar0 n LYS 42 Ca -0.06 0.64 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 1ar0 n LYS 42 Cb 0.42 -5.30 0.00 0.00 -0.02 0.00 0.00 35.03 30.14 1ar0 n LYS 42 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ar0 n GLY 43 N -1.56 1.98 3.57 0.72 0.00 -1.26 -5.02 105.19 103.62 1ar0 n GLY 43 Ca -0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 1ar0 n GLY 43 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ar0 s GLN 44 N -0.17 3.89 -0.14 1.61 0.74 -0.93 -5.08 119.66 119.58 1ar0 s GLN 44 Ca 0.00 -0.36 -0.21 0.00 0.05 0.00 0.00 55.36 54.84 1ar0 s GLN 44 Cb 0.00 -3.41 -0.03 0.00 1.10 0.00 0.00 33.01 30.67 1ar0 s GLN 44 CO 0.00 -0.01 0.62 -1.14 -0.55 0.00 0.00 175.29 174.21 1ar0 s GLN 45 N 1.19 4.30 -0.20 1.67 0.74 -1.26 -1.27 119.66 124.82 1ar0 s GLN 45 Ca 0.06 0.66 -0.02 0.00 0.05 0.00 0.00 55.36 56.11 1ar0 s GLN 45 Cb -0.14 -3.51 0.00 0.00 1.10 0.00 0.00 33.01 30.46 1ar0 s GLN 45 CO 0.05 -0.08 -0.10 -0.06 -0.55 0.00 0.00 175.29 174.55 1ar0 s PHE 46 N 1.35 2.90 -0.24 1.67 0.40 0.12 -4.99 117.98 119.19 1ar0 s PHE 46 Ca 0.31 -1.14 -0.06 0.00 -0.60 0.00 0.00 56.93 55.43 1ar0 s PHE 46 Cb -0.16 -2.04 -0.02 0.00 0.51 0.00 0.00 43.02 41.31 1ar0 s PHE 46 CO 0.12 -0.62 0.04 -0.65 0.70 0.00 0.00 175.22 174.82 1ar0 s GLN 47 N 1.37 3.59 0.00 0.44 -0.21 -1.26 -1.36 119.66 122.24 1ar0 s GLN 47 Ca 0.05 -0.51 0.00 0.00 0.02 0.00 0.00 55.36 54.92 1ar0 s GLN 47 Cb -0.14 -3.25 0.00 0.00 1.00 0.00 0.00 33.01 30.63 1ar0 s GLN 47 CO -0.06 -0.18 0.00 0.41 -2.12 0.00 0.00 175.29 173.34 1ar0 n GLY 48 N 4.86 2.23 0.20 3.09 0.00 0.73 -4.59 105.19 111.70 1ar0 n GLY 48 Ca -0.17 -1.69 -0.06 0.00 0.00 0.00 0.00 46.02 44.11 1ar0 n GLY 48 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ar0 h LYS 49 N 0.00 -0.09 -0.64 1.61 3.64 -1.57 -1.38 116.57 118.14 1ar0 h LYS 49 Ca 0.00 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1ar0 h LYS 49 Cb 0.00 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 1ar0 h LYS 49 CO 0.00 -0.06 0.31 0.00 -2.27 0.00 0.00 179.45 177.44 1ar0 h ALA 50 N 1.18 0.82 0.00 5.00 0.00 -1.90 -0.96 119.26 123.41 1ar0 h ALA 50 Ca 0.17 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1ar0 h ALA 50 Cb 0.35 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ar0 h ALA 50 CO -0.39 0.38 -0.42 0.00 0.00 0.00 0.00 179.25 178.82 1ar0 h ALA 51 N 1.14 1.22 -0.11 0.00 0.00 -1.71 -2.33 119.26 117.47 1ar0 h ALA 51 Ca 0.22 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 1ar0 h ALA 51 Cb 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ar0 h ALA 51 CO -0.03 0.53 -0.25 0.82 0.00 0.00 0.00 179.25 180.32 1ar0 h ILE 52 N 0.00 1.39 -0.62 0.00 2.04 -0.94 -2.86 117.51 116.51 1ar0 h ILE 52 Ca -0.00 -1.55 -0.08 0.00 1.00 0.00 0.00 64.86 64.22 1ar0 h ILE 52 Cb 0.78 2.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.96 1ar0 h ILE 52 CO 0.05 0.45 0.06 0.58 0.00 0.00 0.00 178.15 179.29 1ar0 h VAL 53 N -0.07 1.26 -0.43 1.67 2.07 -1.16 -1.80 116.25 117.79 1ar0 h VAL 53 Ca -0.00 -1.07 -0.04 0.00 0.82 0.00 0.00 66.70 66.41 1ar0 h VAL 53 Cb 0.85 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1ar0 h VAL 53 CO 0.05 0.39 0.12 -0.08 0.02 0.00 0.00 177.57 178.07 1ar0 h GLU 54 N 0.97 0.68 -0.19 1.57 4.81 -1.49 -1.59 114.58 119.34 1ar0 h GLU 54 Ca 0.18 -0.16 0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1ar0 h GLU 54 Cb 0.48 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 1ar0 h GLU 54 CO 0.02 0.68 0.02 -0.22 -0.73 0.00 0.00 179.01 178.78 1ar0 h LYS 55 N 0.56 0.09 -0.00 1.92 1.63 -1.34 -1.38 116.57 118.05 1ar0 h LYS 55 Ca 0.14 -0.01 -0.10 0.00 -0.85 0.00 0.00 60.65 59.83 1ar0 h LYS 55 Cb 0.30 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.89 1ar0 h LYS 55 CO -0.00 0.06 -0.49 -0.07 -3.45 0.00 0.00 179.45 175.50 1ar0 h LEU 56 N 0.09 0.01 -0.56 5.20 3.38 -1.31 -2.98 115.31 119.15 1ar0 h LEU 56 Ca 0.09 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.90 1ar0 h LEU 56 Cb 0.09 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1ar0 h LEU 56 CO -0.13 0.50 -0.71 0.28 0.09 0.00 0.00 178.44 178.47 1ar0 h SER 57 N 0.01 0.12 0.31 -0.43 0.02 -1.14 -3.26 113.55 109.18 1ar0 h SER 57 Ca -0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1ar0 h SER 57 Cb 0.87 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.37 1ar0 h SER 57 CO 0.06 0.79 -0.04 -1.54 -1.14 0.00 0.00 176.83 174.96 1ar0 n SER 58 N -3.74 0.27 -4.70 3.07 3.41 -0.53 -4.92 113.62 106.47 1ar0 n SER 58 Ca -0.02 -0.61 -0.39 0.00 -0.26 0.00 0.00 58.87 57.59 1ar0 n SER 58 Cb 0.69 -0.11 0.04 0.00 -0.26 0.00 0.00 64.21 64.56 1ar0 n SER 58 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ar0 n LEU 59 N -1.00 4.72 -0.36 1.04 4.77 -1.18 -4.90 117.00 120.09 1ar0 n LEU 59 Ca 0.17 0.98 0.01 0.00 -0.03 0.00 0.00 56.01 57.14 1ar0 n LEU 59 Cb 0.23 -1.52 0.02 0.00 -2.33 0.00 0.00 43.42 39.82 1ar0 n LEU 59 CO 0.22 -0.86 0.38 -0.81 -1.33 0.00 0.00 177.39 174.99 1ar0 n PRO 60 N -0.71 1.17 -3.45 3.23 -0.04 -1.26 -4.86 135.00 129.08 1ar0 n PRO 60 Ca 0.10 -0.17 -0.31 0.00 -0.04 0.00 0.00 63.50 63.08 1ar0 n PRO 60 Cb 0.44 -1.32 -0.05 0.00 -0.04 0.00 0.00 33.50 32.53 1ar0 n PRO 60 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1ar0 s PHE 61 N -1.46 3.45 -0.25 0.54 0.08 -1.26 -5.01 117.98 114.06 1ar0 s PHE 61 Ca 0.03 0.76 0.03 0.00 0.12 0.00 0.00 56.93 57.87 1ar0 s PHE 61 Cb 0.02 -2.17 -0.18 0.00 -0.57 0.00 0.00 43.02 40.12 1ar0 s PHE 61 CO 0.01 0.28 -0.20 1.04 -0.10 0.00 0.00 175.22 176.25 1ar0 n GLN 62 N -0.29 0.65 -4.18 0.44 6.02 -1.26 -4.94 117.38 113.82 1ar0 n GLN 62 Ca -0.01 0.14 -0.26 0.00 -0.01 0.00 0.00 57.00 56.87 1ar0 n GLN 62 Cb 0.53 -1.52 -0.17 0.00 1.02 0.00 0.00 30.24 30.09 1ar0 n GLN 62 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1ar0 s LYS 63 N -2.52 1.58 -0.01 -1.09 1.02 -1.26 -5.03 119.74 112.43 1ar0 s LYS 63 Ca -0.33 -0.31 0.03 0.00 0.02 0.00 0.00 55.97 55.38 1ar0 s LYS 63 Cb 0.09 -1.49 -0.01 0.00 -0.52 0.00 0.00 37.83 35.89 1ar0 s LYS 63 CO 0.62 -0.14 -0.11 -1.50 -0.92 0.00 0.00 175.35 173.29 1ar0 s ILE 64 N 1.27 0.90 -0.06 2.17 2.07 -1.26 -0.45 121.20 125.84 1ar0 s ILE 64 Ca -0.03 -0.48 -0.00 0.00 -1.41 0.00 0.00 60.65 58.72 1ar0 s ILE 64 Cb -0.14 -0.76 0.03 0.00 0.13 0.00 0.00 42.46 41.72 1ar0 s ILE 64 CO -0.03 0.26 -0.01 -1.58 -1.91 0.00 0.00 174.94 171.66 1ar0 s GLN 65 N -0.24 0.62 0.11 3.50 0.74 -0.03 -4.57 119.66 119.79 1ar0 s GLN 65 Ca 0.04 0.04 0.03 0.00 0.05 0.00 0.00 55.36 55.52 1ar0 s GLN 65 Cb -0.05 -0.84 -0.04 0.00 1.10 0.00 0.00 33.01 33.18 1ar0 s GLN 65 CO -0.00 -0.21 0.15 -1.01 -0.55 0.00 0.00 175.29 173.66 1ar0 s HIS 66 N 1.50 3.27 -0.03 1.67 3.76 -1.26 -0.93 115.29 123.27 1ar0 s HIS 66 Ca -0.02 0.08 -0.01 0.00 -0.15 0.00 0.00 55.06 54.96 1ar0 s HIS 66 Cb -0.13 -1.62 0.03 0.00 1.11 0.00 0.00 32.58 31.97 1ar0 s HIS 66 CO -0.03 0.53 0.05 -1.54 -0.85 0.00 0.00 174.74 172.90 1ar0 s SER 67 N -2.75 0.63 -0.05 1.40 1.04 -0.19 -5.02 113.70 108.77 1ar0 s SER 67 Ca 0.31 0.07 -0.25 0.00 0.48 0.00 0.00 55.95 56.56 1ar0 s SER 67 Cb -0.11 -0.10 -0.03 0.00 0.10 0.00 0.00 66.02 65.88 1ar0 s SER 67 CO 0.24 -0.19 0.78 -0.63 0.98 0.00 0.00 173.24 174.42 1ar0 s ILE 68 N 1.67 4.99 -0.18 -1.02 -1.09 -1.26 -0.69 121.20 123.62 1ar0 s ILE 68 Ca -0.02 1.62 -0.07 0.00 -2.23 0.00 0.00 60.65 59.96 1ar0 s ILE 68 Cb -0.12 -4.12 -0.22 0.00 -1.58 0.00 0.00 42.46 36.42 1ar0 s ILE 68 CO -0.03 0.22 0.13 0.41 -1.23 0.00 0.00 174.94 174.44 1ar0 n THR 69 N 3.86 1.66 -3.71 2.92 -1.04 -0.24 -4.96 114.28 112.77 1ar0 n THR 69 Ca 0.01 -0.53 -0.14 0.00 -2.04 0.00 0.00 64.05 61.35 1ar0 n THR 69 Cb 0.51 -1.70 -0.09 0.00 -1.82 0.00 0.00 70.33 67.23 1ar0 n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ar0 s ALA 70 N -2.52 -1.05 -0.04 2.41 0.00 -0.57 -5.01 121.76 114.97 1ar0 s ALA 70 Ca -0.28 0.86 -0.01 0.00 0.00 0.00 0.00 51.96 52.53 1ar0 s ALA 70 Cb 0.08 -0.28 0.03 0.00 0.00 0.00 0.00 23.12 22.94 1ar0 s ALA 70 CO 0.68 -0.25 0.04 1.14 0.00 0.00 0.00 175.76 177.36 1ar0 s GLN 71 N -0.62 0.13 -0.11 0.00 -2.07 -1.26 -1.53 119.66 114.20 1ar0 s GLN 71 Ca -0.07 0.26 0.03 0.00 -1.82 0.00 0.00 55.36 53.76 1ar0 s GLN 71 Cb -0.04 -0.58 0.01 0.00 -1.09 0.00 0.00 33.01 31.31 1ar0 s GLN 71 CO 0.03 -0.28 -0.22 -0.51 -1.32 0.00 0.00 175.29 173.00 1ar0 s ASP 72 N 1.85 2.92 -0.05 12.60 1.01 0.70 -4.97 116.67 130.73 1ar0 s ASP 72 Ca 0.01 -0.54 0.06 0.00 0.71 0.00 0.00 52.55 52.79 1ar0 s ASP 72 Cb -0.12 -1.34 -0.01 0.00 1.01 0.00 0.00 42.92 42.46 1ar0 s ASP 72 CO -0.03 0.11 -0.22 -1.00 0.21 0.00 0.00 175.17 174.24 1ar0 s HIS 73 N 0.56 2.11 0.03 4.23 3.76 -1.26 -0.59 115.29 124.12 1ar0 s HIS 73 Ca -0.14 -0.58 0.00 0.00 -0.15 0.00 0.00 55.06 54.19 1ar0 s HIS 73 Cb -0.17 -1.39 -0.02 0.00 1.11 0.00 0.00 32.58 32.11 1ar0 s HIS 73 CO 0.05 -0.17 -0.04 -0.65 -0.85 0.00 0.00 174.74 173.07 1ar0 s GLN 74 N -0.15 0.43 0.37 1.40 -0.21 -0.13 -4.87 119.66 116.49 1ar0 s GLN 74 Ca -0.02 -0.76 -0.24 0.00 0.02 0.00 0.00 55.36 54.37 1ar0 s GLN 74 Cb -0.12 0.01 -0.10 0.00 1.00 0.00 0.00 33.01 33.80 1ar0 s GLN 74 CO 0.02 -0.03 0.94 -1.25 -2.12 0.00 0.00 175.29 172.86 1ar0 s PRO 75 N -1.91 4.43 0.38 2.91 0.04 -1.26 -0.88 135.00 138.71 1ar0 s PRO 75 Ca -0.10 1.23 0.07 0.00 0.04 0.00 0.00 61.00 62.24 1ar0 s PRO 75 Cb -0.07 -2.53 -0.01 0.00 0.04 0.00 0.00 34.50 31.92 1ar0 s PRO 75 CO -0.02 0.15 0.41 0.95 0.04 0.00 0.00 177.00 178.53 1ar0 s THR 76 N -1.86 3.26 0.46 1.26 -4.23 0.12 -4.85 115.64 109.80 1ar0 s THR 76 Ca 0.55 -1.22 0.24 0.00 -1.18 0.00 0.00 61.69 60.08 1ar0 s THR 76 Cb -0.14 -3.13 0.27 0.00 1.34 0.00 0.00 72.50 70.84 1ar0 s THR 76 CO 0.19 -0.08 2.09 -0.65 -0.54 0.00 0.00 174.62 175.62 1ar0 h PRO 77 N 0.99 0.00 -0.75 3.99 0.11 -1.98 -2.65 132.00 131.72 1ar0 h PRO 77 Ca -0.43 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.60 1ar0 h PRO 77 Cb 1.26 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.32 1ar0 h PRO 77 CO 0.54 0.11 0.11 -0.25 -0.21 0.00 0.00 178.00 178.30 1ar0 n ASP 78 N -3.89 4.42 -0.11 -2.05 8.00 -1.26 -4.89 116.55 116.76 1ar0 n ASP 78 Ca -0.02 -2.82 -0.01 0.00 0.71 0.00 0.00 54.79 52.64 1ar0 n ASP 78 Cb 0.21 -0.67 -0.01 0.00 -0.02 0.00 0.00 41.12 40.63 1ar0 n ASP 78 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ar0 n SER 79 N 0.22 -3.18 -4.98 -2.24 7.64 -1.00 -5.04 113.62 105.04 1ar0 n SER 79 Ca 0.26 0.04 -0.20 0.00 1.01 0.00 0.00 58.87 59.98 1ar0 n SER 79 Cb 1.07 -0.81 0.02 0.00 -1.01 0.00 0.00 64.21 63.48 1ar0 n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ar0 s ILE 81 N -2.55 3.07 -0.16 0.00 1.01 -0.42 -0.71 121.20 121.44 1ar0 s ILE 81 Ca 0.54 -0.63 -0.02 0.00 0.00 0.00 0.00 60.65 60.54 1ar0 s ILE 81 Cb -0.10 -2.33 -0.02 0.00 0.01 0.00 0.00 42.46 40.02 1ar0 s ILE 81 CO 0.36 0.49 -0.09 -0.51 0.00 0.00 0.00 174.94 175.19 1ar0 s ILE 82 N 0.85 3.32 0.06 2.92 2.07 -0.06 -0.18 121.20 130.18 1ar0 s ILE 82 Ca -0.03 -0.55 0.09 0.00 -1.41 0.00 0.00 60.65 58.75 1ar0 s ILE 82 Cb -0.15 -2.44 -0.03 0.00 0.13 0.00 0.00 42.46 39.97 1ar0 s ILE 82 CO 0.00 0.50 -0.24 -0.44 -1.91 0.00 0.00 174.94 172.85 1ar0 s SER 83 N 0.60 2.92 -0.09 4.50 0.01 -0.09 -0.95 113.70 120.59 1ar0 s SER 83 Ca -0.05 -0.60 0.01 0.00 1.31 0.00 0.00 55.95 56.62 1ar0 s SER 83 Cb -0.15 -0.24 0.02 0.00 0.21 0.00 0.00 66.02 65.86 1ar0 s SER 83 CO 0.03 0.20 -0.09 -0.32 0.41 0.00 0.00 173.24 173.47 1ar0 s MET 84 N -1.37 1.59 -0.07 12.44 1.75 0.24 -1.42 119.30 132.46 1ar0 s MET 84 Ca 0.10 -0.32 0.04 0.00 -1.25 0.00 0.00 55.69 54.26 1ar0 s MET 84 Cb -0.10 -1.51 -0.02 0.00 2.84 0.00 0.00 34.83 36.05 1ar0 s MET 84 CO 0.03 -0.15 -0.19 0.08 -0.65 0.00 0.00 175.02 174.14 1ar0 s VAL 85 N 1.28 2.63 -0.05 10.11 1.01 0.21 -0.22 120.40 135.37 1ar0 s VAL 85 Ca -0.03 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.15 1ar0 s VAL 85 Cb -0.14 -2.02 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 1ar0 s VAL 85 CO -0.04 0.57 -0.22 -0.69 0.00 0.00 0.00 175.10 174.72 1ar0 s VAL 86 N -0.22 1.78 0.00 2.92 1.01 -0.58 -0.99 120.40 124.32 1ar0 s VAL 86 Ca -0.01 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1ar0 s VAL 86 Cb -0.13 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.73 1ar0 s VAL 86 CO 0.03 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.24 1ar0 n GLY 87 N 2.99 2.18 3.12 4.51 0.00 -0.90 -1.07 105.19 116.01 1ar0 n GLY 87 Ca -0.17 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 44.95 1ar0 n GLY 87 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ar0 s GLN 88 N 0.81 0.79 0.05 1.61 -0.21 0.14 -1.31 119.66 121.53 1ar0 s GLN 88 Ca 0.00 -0.75 0.05 0.00 0.02 0.00 0.00 55.36 54.68 1ar0 s GLN 88 Cb 0.00 -0.75 -0.02 0.00 1.00 0.00 0.00 33.01 33.23 1ar0 s GLN 88 CO 0.00 0.18 -0.13 -0.48 -2.12 0.00 0.00 175.29 172.73 1ar0 s LEU 89 N -1.26 2.22 -0.20 2.90 0.05 1.00 -1.02 118.68 122.36 1ar0 s LEU 89 Ca -0.01 -0.52 -0.00 0.00 0.05 0.00 0.00 54.13 53.64 1ar0 s LEU 89 Cb -0.08 -0.52 0.05 0.00 -2.05 0.00 0.00 46.19 43.59 1ar0 s LEU 89 CO 0.01 -0.03 -0.04 -0.75 -0.55 0.00 0.00 176.35 174.99 1ar0 s LYS 90 N -1.40 1.44 -0.11 1.48 2.47 -0.11 -1.59 119.74 121.91 1ar0 s LYS 90 Ca -0.01 -0.71 -0.02 0.00 -1.56 0.00 0.00 55.97 53.67 1ar0 s LYS 90 Cb -0.09 -2.27 -0.03 0.00 -1.46 0.00 0.00 37.83 33.98 1ar0 s LYS 90 CO 0.02 -0.53 -0.02 0.00 0.16 0.00 0.00 175.35 174.98 1ar0 s ALA 91 N 1.56 3.12 0.00 3.13 0.00 -1.26 -0.85 121.76 127.47 1ar0 s ALA 91 Ca -0.02 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1ar0 s ALA 91 Cb -0.17 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.47 1ar0 s ALA 91 CO -0.07 0.43 0.00 -0.25 0.00 0.00 0.00 175.76 175.87 1ar0 n ASP 92 N 2.74 0.00 -0.67 0.00 8.00 0.40 -1.22 116.55 125.80 1ar0 n ASP 92 Ca -0.18 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.40 1ar0 n ASP 92 Cb 0.53 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.85 1ar0 n ASP 92 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1ar0 n GLU 93 N 13.55 2.33 -1.91 -1.24 -0.58 -1.26 -5.00 120.64 126.54 1ar0 n GLU 93 Ca 0.00 -2.81 -0.31 0.00 -0.42 0.00 0.00 57.16 53.62 1ar0 n GLU 93 Cb 0.00 -1.74 0.01 0.00 -0.57 0.00 0.00 31.44 29.14 1ar0 n GLU 93 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1ar0 s ASP 94 N -2.29 6.07 0.62 1.62 1.01 -0.35 -5.03 116.67 118.32 1ar0 s ASP 94 Ca 0.39 1.52 -0.18 0.00 0.71 0.00 0.00 52.55 55.00 1ar0 s ASP 94 Cb 0.33 -2.49 -0.02 0.00 1.01 0.00 0.00 42.92 41.75 1ar0 s ASP 94 CO 0.06 -0.98 1.18 -2.16 0.21 0.00 0.00 175.17 173.48 1ar0 s PRO 95 N -4.87 2.87 0.16 8.23 0.04 -1.26 -4.62 135.00 135.56 1ar0 s PRO 95 Ca 0.57 1.70 -0.31 0.00 0.04 0.00 0.00 61.00 63.00 1ar0 s PRO 95 Cb -0.12 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.39 1ar0 s PRO 95 CO 0.49 -1.26 1.53 0.42 0.04 0.00 0.00 177.00 178.23 1ar0 s ILE 96 N -1.82 2.72 0.07 0.56 1.01 -1.26 -4.76 121.20 117.73 1ar0 s ILE 96 Ca 0.74 0.52 0.09 0.00 0.00 0.00 0.00 60.65 62.01 1ar0 s ILE 96 Cb -0.27 -3.33 -0.03 0.00 0.01 0.00 0.00 42.46 38.83 1ar0 s ILE 96 CO 0.35 0.04 -0.25 -0.04 0.00 0.00 0.00 174.94 175.05 1ar0 s MET 97 N 1.02 1.58 0.48 2.79 -1.94 -0.62 -4.94 119.30 117.67 1ar0 s MET 97 Ca 0.68 -1.15 -0.19 0.00 -1.71 0.00 0.00 55.69 53.33 1ar0 s MET 97 Cb -0.43 -1.84 -0.09 0.00 2.01 0.00 0.00 34.83 34.49 1ar0 s MET 97 CO 0.32 0.46 1.00 0.20 -0.01 0.00 0.00 175.02 176.99 1ar0 s GLY 98 N -1.48 2.34 0.14 -0.03 0.00 -1.26 -0.00 107.32 107.02 1ar0 s GLY 98 Ca 0.11 0.43 -0.04 0.00 0.00 0.00 0.00 44.72 45.23 1ar0 s GLY 98 CO 0.03 0.73 0.12 -0.11 0.00 0.00 0.00 173.10 173.87 1ar0 s PHE 99 N -2.22 0.70 0.02 1.90 -0.12 -0.43 -0.15 117.98 117.67 1ar0 s PHE 99 Ca 0.63 -1.08 0.02 0.00 -0.05 0.00 0.00 56.93 56.46 1ar0 s PHE 99 Cb -0.12 -0.34 -0.01 0.00 -0.63 0.00 0.00 43.02 41.91 1ar0 s PHE 99 CO 0.21 -0.57 -0.07 -3.38 -0.05 0.00 0.00 175.22 171.36 1ar0 s HIS 100 N -4.02 0.65 -0.02 3.49 -3.43 -0.50 -2.13 115.29 109.33 1ar0 s HIS 100 Ca 0.21 -0.28 -0.05 0.00 -0.80 0.00 0.00 55.06 54.14 1ar0 s HIS 100 Cb 0.06 -0.40 0.01 0.00 -1.43 0.00 0.00 32.58 30.82 1ar0 s HIS 100 CO 0.01 -0.03 0.12 -1.14 -2.00 0.00 0.00 174.74 171.70 1ar0 s GLN 101 N -0.80 0.31 0.01 -0.38 0.74 -0.17 -1.62 119.66 117.76 1ar0 s GLN 101 Ca -0.03 -0.13 0.05 0.00 0.05 0.00 0.00 55.36 55.31 1ar0 s GLN 101 Cb -0.06 0.13 -0.02 0.00 1.10 0.00 0.00 33.01 34.17 1ar0 s GLN 101 CO 0.00 -0.06 -0.16 1.41 -0.55 0.00 0.00 175.29 175.93 1ar0 s MET 102 N -0.68 1.19 -0.03 1.67 -2.45 -0.31 -0.62 119.30 118.07 1ar0 s MET 102 Ca -0.08 -0.65 0.02 0.00 -1.25 0.00 0.00 55.69 53.73 1ar0 s MET 102 Cb -0.05 -1.18 0.01 0.00 1.25 0.00 0.00 34.83 34.86 1ar0 s MET 102 CO 0.01 0.31 -0.07 -0.06 1.05 0.00 0.00 175.02 176.26 1ar0 s PHE 103 N -0.54 0.85 -0.27 4.11 0.08 -0.51 -2.04 117.98 119.67 1ar0 s PHE 103 Ca 0.05 -0.22 -0.02 0.00 0.12 0.00 0.00 56.93 56.86 1ar0 s PHE 103 Cb -0.07 -0.64 0.03 0.00 -0.57 0.00 0.00 43.02 41.77 1ar0 s PHE 103 CO 0.00 -0.12 -0.03 -1.17 -0.10 0.00 0.00 175.22 173.80 1ar0 s LEU 104 N 0.39 3.46 -0.03 -0.37 2.96 -0.06 -0.91 118.68 124.12 1ar0 s LEU 104 Ca -0.06 -0.96 -0.02 0.00 -0.22 0.00 0.00 54.13 52.88 1ar0 s LEU 104 Cb -0.10 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 1ar0 s LEU 104 CO 0.00 -0.17 0.11 -0.76 -1.32 0.00 0.00 176.35 174.21 1ar0 s LEU 105 N 1.33 4.07 -0.02 -0.68 1.43 0.74 -1.67 118.68 123.88 1ar0 s LEU 105 Ca -0.01 0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 53.33 1ar0 s LEU 105 Cb -0.18 -2.29 0.01 0.00 0.03 0.00 0.00 46.19 43.77 1ar0 s LEU 105 CO -0.03 0.30 0.04 -0.75 0.23 0.00 0.00 176.35 176.14 1ar0 s LYS 106 N -1.61 0.02 -0.45 1.70 2.20 0.15 -1.30 119.74 120.45 1ar0 s LYS 106 Ca 0.22 0.10 -0.24 0.00 -0.36 0.00 0.00 55.97 55.69 1ar0 s LYS 106 Cb -0.12 -0.07 0.03 0.00 -1.51 0.00 0.00 37.83 36.15 1ar0 s LYS 106 CO 0.13 -0.06 0.82 1.21 -0.36 0.00 0.00 175.35 177.09 1ar0 s ASN 107 N 0.38 6.44 -0.14 1.43 2.47 -1.26 -0.02 114.94 124.24 1ar0 s ASN 107 Ca -0.03 -0.03 0.00 0.00 0.42 0.00 0.00 52.86 53.22 1ar0 s ASN 107 Cb -0.04 -2.40 0.02 0.00 -1.45 0.00 0.00 41.25 37.38 1ar0 s ASN 107 CO -0.01 -0.94 -0.11 -0.63 -3.72 0.00 0.00 177.10 171.68 1ar0 s ILE 108 N 3.41 1.36 -0.90 -5.21 1.01 0.10 -4.80 121.20 116.16 1ar0 s ILE 108 Ca 0.32 -0.51 -0.01 0.00 0.00 0.00 0.00 60.65 60.44 1ar0 s ILE 108 Cb -0.12 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 41.04 1ar0 s ILE 108 CO 0.23 0.41 0.17 0.59 0.00 0.00 0.00 174.94 176.34 1ar0 n ASN 109 N 4.84 -3.86 -0.29 3.58 3.02 -1.26 -2.59 115.26 118.70 1ar0 n ASN 109 Ca -0.15 -0.09 -0.04 0.00 -0.03 0.00 0.00 54.58 54.28 1ar0 n ASN 109 Cb 0.50 -2.91 -0.02 0.00 -0.61 0.00 0.00 39.78 36.74 1ar0 n ASN 109 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1ar0 n ASP 110 N -0.37 -3.63 -3.89 6.41 9.92 -1.26 -5.01 116.55 118.72 1ar0 n ASP 110 Ca -0.10 0.09 -0.13 0.00 -0.53 0.00 0.00 54.79 54.12 1ar0 n ASP 110 Cb 0.58 -1.47 -0.14 0.00 -0.64 0.00 0.00 41.12 39.45 1ar0 n ASP 110 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ar0 s ALA 111 N -2.08 0.14 -0.30 2.24 0.00 -1.07 -5.12 121.76 115.57 1ar0 s ALA 111 Ca 0.00 -0.04 -0.26 0.00 0.00 0.00 0.00 51.96 51.66 1ar0 s ALA 111 Cb 0.00 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.07 1ar0 s ALA 111 CO 0.00 0.02 0.90 -1.58 0.00 0.00 0.00 175.76 175.10 1ar0 s TRP 112 N 0.06 3.20 0.27 0.00 0.52 -1.26 0.02 118.94 121.74 1ar0 s TRP 112 Ca -0.00 0.99 0.11 0.00 0.02 0.00 0.00 56.10 57.21 1ar0 s TRP 112 Cb -0.02 -3.37 -0.05 0.00 -1.15 0.00 0.00 33.47 28.88 1ar0 s TRP 112 CO -0.00 -0.62 -0.10 0.14 0.02 0.00 0.00 176.95 176.38 1ar0 s VAL 113 N 3.20 2.98 -0.32 4.03 -7.23 0.97 -4.90 120.40 119.12 1ar0 s VAL 113 Ca 0.37 -2.14 -0.15 0.00 -1.81 0.00 0.00 61.98 58.26 1ar0 s VAL 113 Cb -0.14 -2.57 -0.02 0.00 0.56 0.00 0.00 36.38 34.21 1ar0 s VAL 113 CO 0.13 -0.38 0.34 0.00 -0.31 0.00 0.00 175.10 174.88 1ar0 n THR 115 N 5.19 1.68 -3.96 0.00 -2.24 -0.67 -4.16 114.28 110.12 1ar0 n THR 115 Ca -0.10 -0.73 -0.19 0.00 -2.27 0.00 0.00 64.05 60.76 1ar0 n THR 115 Cb 0.50 -1.33 -0.17 0.00 -2.10 0.00 0.00 70.33 67.24 1ar0 n THR 115 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1ar0 s ASN 116 N -6.49 0.85 -0.06 3.42 0.01 -1.20 -1.00 114.94 110.47 1ar0 s ASN 116 Ca -0.13 -0.07 -0.01 0.00 -0.71 0.00 0.00 52.86 51.95 1ar0 s ASN 116 Cb 0.07 -0.33 0.03 0.00 0.41 0.00 0.00 41.25 41.43 1ar0 s ASN 116 CO 0.80 -0.11 0.00 -0.62 -1.51 0.00 0.00 177.10 175.66 1ar0 s ASP 117 N 1.22 1.29 -0.08 -1.22 -1.08 -0.12 -0.88 116.67 115.79 1ar0 s ASP 117 Ca -0.07 -0.06 0.01 0.00 -0.52 0.00 0.00 52.55 51.91 1ar0 s ASP 117 Cb -0.13 -0.38 0.02 0.00 -1.46 0.00 0.00 42.92 40.96 1ar0 s ASP 117 CO -0.02 -0.17 -0.10 -0.04 0.52 0.00 0.00 175.17 175.36 1ar0 s MET 118 N 1.71 1.60 0.00 4.34 -1.94 -0.86 -0.98 119.30 123.17 1ar0 s MET 118 Ca 0.01 -0.35 0.05 0.00 -1.71 0.00 0.00 55.69 53.69 1ar0 s MET 118 Cb -0.13 -1.42 -0.02 0.00 2.01 0.00 0.00 34.83 35.27 1ar0 s MET 118 CO -0.04 -0.07 -0.17 0.12 -0.01 0.00 0.00 175.02 174.86 1ar0 s PHE 119 N 0.99 1.50 -0.14 -0.03 5.36 -0.19 -1.16 117.98 124.30 1ar0 s PHE 119 Ca -0.09 -0.30 -0.12 0.00 -0.96 0.00 0.00 56.93 55.47 1ar0 s PHE 119 Cb -0.15 -0.94 0.04 0.00 -0.34 0.00 0.00 43.02 41.63 1ar0 s PHE 119 CO -0.00 -0.00 0.37 0.50 -1.46 0.00 0.00 175.22 174.63 1ar0 s ARG 120 N -0.59 0.41 0.23 10.12 3.52 -0.64 -1.15 118.95 130.85 1ar0 s ARG 120 Ca 0.06 0.58 -0.21 0.00 -0.13 0.00 0.00 55.73 56.03 1ar0 s ARG 120 Cb -0.07 0.14 -0.08 0.00 -1.56 0.00 0.00 34.95 33.38 1ar0 s ARG 120 CO -0.00 -0.08 0.76 -0.51 -0.81 0.00 0.00 175.30 174.65 1ar0 s LEU 121 N 0.53 4.37 -0.22 -0.88 1.43 -1.26 -1.41 118.68 121.24 1ar0 s LEU 121 Ca -0.03 1.50 -0.26 0.00 -1.03 0.00 0.00 54.13 54.31 1ar0 s LEU 121 Cb -0.04 -3.60 -0.00 0.00 0.03 0.00 0.00 46.19 42.57 1ar0 s LEU 121 CO -0.03 0.04 0.89 0.00 0.23 0.00 0.00 176.35 177.48 1ar0 s ALA 122 N -1.49 3.63 0.40 4.21 0.00 0.79 -4.94 121.76 124.35 1ar0 s ALA 122 Ca 0.43 -0.00 -0.21 0.00 0.00 0.00 0.00 51.96 52.18 1ar0 s ALA 122 Cb -0.18 -3.35 -0.10 0.00 0.00 0.00 0.00 23.12 19.49 1ar0 s ALA 122 CO 0.22 -0.89 0.91 -0.51 0.00 0.00 0.00 175.76 175.49 1ar0 s LEU 123 N 2.77 4.02 -0.12 0.00 1.43 -1.26 -4.38 118.68 121.14 1ar0 s LEU 123 Ca 0.38 1.64 -0.29 0.00 -1.03 0.00 0.00 54.13 54.84 1ar0 s LEU 123 Cb -0.16 -4.38 -0.01 0.00 0.03 0.00 0.00 46.19 41.67 1ar0 s LEU 123 CO 0.08 -0.29 0.98 -2.28 0.23 0.00 0.00 176.35 175.07 1ar0 s HIS 124 N -2.06 3.49 -0.49 0.29 5.65 -1.26 -5.00 115.29 115.91 1ar0 s HIS 124 Ca 0.59 1.53 -0.29 0.00 0.25 0.00 0.00 55.06 57.14 1ar0 s HIS 124 Cb -0.11 -3.16 0.03 0.00 -1.18 0.00 0.00 32.58 28.16 1ar0 s HIS 124 CO 0.15 -0.23 1.18 0.54 -0.65 0.00 0.00 174.74 175.73 1ar0 s ASN 125 N 1.10 6.57 0.00 9.88 2.20 -1.26 -5.28 114.94 128.15 1ar0 s ASN 125 Ca 0.46 0.46 0.22 0.00 -0.94 0.00 0.00 52.86 53.07 1ar0 s ASN 125 Cb -0.18 -2.55 0.18 0.00 -2.00 0.00 0.00 41.25 36.70 1ar0 s ASN 125 CO 0.16 -1.31 1.21 0.49 -2.94 0.00 0.00 177.10 174.72