#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q78 s ASP 3 N 0.00 2.40 -0.07 4.39 2.15 -1.26 -5.19 116.67 119.09 2q78 s ASP 3 Ca 0.00 -0.41 0.12 0.00 0.43 0.00 0.00 52.55 52.69 2q78 s ASP 3 Cb 0.00 -1.05 0.36 0.00 -0.30 0.00 0.00 42.92 41.93 2q78 s ASP 3 CO 0.00 -0.02 1.29 0.49 -0.17 0.00 0.00 175.17 176.76 2q78 n PHE 4 N 4.39 0.58 0.30 -5.34 3.72 -1.26 -4.67 117.46 115.17 2q78 n PHE 4 Ca -0.18 -0.66 0.16 0.00 -0.05 0.00 0.00 57.45 56.72 2q78 n PHE 4 Cb 0.51 -0.14 0.93 0.00 -0.94 0.00 0.00 39.48 39.84 2q78 n PHE 4 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2q78 h ASP 5 N 1.68 0.00 0.01 4.37 3.32 -1.92 -1.69 116.42 122.19 2q78 h ASP 5 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2q78 h ASP 5 Cb 0.98 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.53 2q78 h ASP 5 CO 0.08 0.02 0.00 2.19 -1.72 0.00 0.00 179.24 179.81 2q78 h PHE 6 N 0.00 0.00 0.00 4.55 -5.15 -2.01 -2.04 116.94 112.28 2q78 h PHE 6 Ca -0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 2q78 h PHE 6 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.24 2q78 h PHE 6 CO 0.00 0.00 0.00 -0.07 -2.00 0.00 0.00 178.31 176.24 2q78 h LEU 7 N 0.00 0.00 -9.60 2.10 3.38 -1.69 -3.46 115.31 106.03 2q78 h LEU 7 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 2q78 h LEU 7 Cb 0.00 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.81 2q78 h LEU 7 CO 0.00 0.00 1.04 -0.70 0.09 0.00 0.00 178.44 178.87 2q78 s GLU 8 N -3.39 4.14 0.00 1.13 2.12 -0.77 -2.22 118.70 119.70 2q78 s GLU 8 Ca 0.05 2.58 0.00 0.00 0.36 0.00 0.00 54.97 57.96 2q78 s GLU 8 Cb 0.08 -3.26 0.00 0.00 0.26 0.00 0.00 34.13 31.21 2q78 s GLU 8 CO 0.59 -0.77 0.00 0.41 -0.54 0.00 0.00 175.26 174.94 2q78 n GLY 9 N 4.05 2.33 3.77 -1.50 0.00 -0.47 -5.02 105.19 108.34 2q78 n GLY 9 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 2q78 n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2q78 s LYS 10 N -0.91 3.94 0.08 1.61 1.02 -0.94 -4.72 119.74 119.82 2q78 s LYS 10 Ca 0.00 2.17 0.03 0.00 0.02 0.00 0.00 55.97 58.19 2q78 s LYS 10 Cb 0.00 -2.74 -0.03 0.00 -0.52 0.00 0.00 37.83 34.54 2q78 s LYS 10 CO 0.00 -0.52 -0.09 1.03 -0.92 0.00 0.00 175.35 174.85 2q78 s ARG 11 N -2.27 0.75 -0.25 1.68 0.52 -1.26 -0.53 118.95 117.60 2q78 s ARG 11 Ca 0.57 -1.06 -0.19 0.00 -0.52 0.00 0.00 55.73 54.53 2q78 s ARG 11 Cb -0.38 -0.43 0.07 0.00 0.52 0.00 0.00 34.95 34.73 2q78 s ARG 11 CO 0.49 0.06 0.63 -1.17 0.02 0.00 0.00 175.30 175.34 2q78 s LEU 12 N -2.26 -0.57 -0.02 2.53 2.96 -0.19 -5.00 118.68 116.12 2q78 s LEU 12 Ca 0.02 1.32 0.05 0.00 -0.22 0.00 0.00 54.13 55.30 2q78 s LEU 12 Cb -0.04 2.17 -0.01 0.00 0.50 0.00 0.00 46.19 48.82 2q78 s LEU 12 CO -0.01 -0.23 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.75 2q78 s THR 13 N 0.86 1.29 -0.01 3.68 2.01 -1.26 -0.81 115.64 121.41 2q78 s THR 13 Ca -0.04 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 61.31 2q78 s THR 13 Cb -0.05 -1.09 -0.00 0.00 0.01 0.00 0.00 72.50 71.36 2q78 s THR 13 CO -0.07 0.37 -0.07 -1.61 -0.69 0.00 0.00 174.62 172.55 2q78 s GLU 14 N -0.18 0.60 -0.03 4.92 2.02 -0.31 -4.97 118.70 120.75 2q78 s GLU 14 Ca 0.02 -0.25 -0.28 0.00 0.02 0.00 0.00 54.97 54.48 2q78 s GLU 14 Cb -0.08 -0.58 -0.03 0.00 0.10 0.00 0.00 34.13 33.54 2q78 s GLU 14 CO 0.00 0.15 0.89 -0.51 0.02 0.00 0.00 175.26 175.81 2q78 s ASP 15 N -0.12 7.24 -0.06 -0.19 1.01 -1.26 -1.02 116.67 122.27 2q78 s ASP 15 Ca 0.02 1.50 0.02 0.00 0.71 0.00 0.00 52.55 54.80 2q78 s ASP 15 Cb -0.03 -2.52 0.01 0.00 1.01 0.00 0.00 42.92 41.39 2q78 s ASP 15 CO -0.00 -0.23 -0.12 -0.69 0.21 0.00 0.00 175.17 174.34 2q78 s VAL 16 N 1.02 1.10 -0.12 -1.27 1.01 -0.06 -4.96 120.40 117.12 2q78 s VAL 16 Ca 0.47 -0.47 -0.24 0.00 0.00 0.00 0.00 61.98 61.74 2q78 s VAL 16 Cb -0.20 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 2q78 s VAL 16 CO 0.24 0.35 0.74 0.00 0.00 0.00 0.00 175.10 176.43 2q78 s ALA 17 N 0.63 3.42 -0.63 5.51 0.00 -1.26 -0.84 121.76 128.59 2q78 s ALA 17 Ca -0.14 0.06 -0.23 0.00 0.00 0.00 0.00 51.96 51.65 2q78 s ALA 17 Cb -0.15 -3.06 0.06 0.00 0.00 0.00 0.00 23.12 19.96 2q78 s ALA 17 CO 0.03 -0.36 0.98 -0.51 0.00 0.00 0.00 175.76 175.90 2q78 s LEU 18 N 1.42 4.23 0.00 0.00 1.43 0.10 -4.99 118.68 120.87 2q78 s LEU 18 Ca 0.37 -0.78 -0.04 0.00 -1.03 0.00 0.00 54.13 52.65 2q78 s LEU 18 Cb -0.17 -2.54 0.15 0.00 0.03 0.00 0.00 46.19 43.67 2q78 s LEU 18 CO 0.15 -1.41 1.01 -0.90 0.23 0.00 0.00 176.35 175.44 2q78 n ASP 19 N 7.74 0.95 0.20 2.29 5.68 -1.26 0.56 116.55 132.71 2q78 n ASP 19 Ca -0.02 -1.90 0.14 0.00 -0.50 0.00 0.00 54.79 52.51 2q78 n ASP 19 Cb 0.46 -0.69 0.46 0.00 -1.14 0.00 0.00 41.12 40.21 2q78 n ASP 19 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2q78 h GLU 20 N 0.00 0.00 -2.13 0.11 4.57 -1.97 -3.37 114.58 111.79 2q78 h GLU 20 Ca -0.33 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.83 2q78 h GLU 20 Cb 1.13 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 2q78 h GLU 20 CO 0.32 0.00 0.03 0.25 -1.18 0.00 0.00 179.01 178.43 2q78 n THR 21 N -2.75 0.84 0.00 0.32 -2.24 -1.26 -4.97 114.28 104.22 2q78 n THR 21 Ca 0.03 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2q78 n THR 21 Cb 0.37 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.31 2q78 n THR 21 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2q78 n VAL 23 N 2.02 -0.30 -2.47 2.28 3.14 -1.26 -5.07 118.33 116.66 2q78 n VAL 23 Ca 0.03 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.99 2q78 n VAL 23 Cb 0.22 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.98 2q78 n VAL 23 CO 0.00 0.00 0.00 0.86 -6.46 0.00 0.00 176.83 171.23 2q78 s TRP 24 N -2.22 2.88 0.00 1.45 -0.00 0.11 -4.53 118.94 116.62 2q78 s TRP 24 Ca 0.00 1.03 0.00 0.00 -0.00 0.00 0.00 56.10 57.13 2q78 s TRP 24 Cb 0.00 -3.63 0.00 0.00 -0.00 0.00 0.00 33.47 29.84 2q78 s TRP 24 CO 0.00 -1.47 0.73 0.27 -0.00 0.00 0.00 176.95 176.48 2q78 n ASN 25 N 6.95 1.01 -0.31 5.86 0.23 -1.26 -4.65 115.26 123.09 2q78 n ASN 25 Ca 0.14 -1.49 0.04 0.00 -0.53 0.00 0.00 54.58 52.74 2q78 n ASN 25 Cb 0.46 0.00 0.19 0.00 -2.08 0.00 0.00 39.78 38.34 2q78 n ASN 25 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2q78 h GLU 26 N 0.00 0.82 -4.80 -3.83 5.08 -2.02 -3.39 114.58 106.44 2q78 h GLU 26 Ca 0.00 -0.05 -0.67 0.00 -1.00 0.00 0.00 59.36 57.64 2q78 h GLU 26 Cb 0.72 -0.18 -0.20 0.00 0.50 0.00 0.00 28.75 29.58 2q78 h GLU 26 CO 0.00 0.54 -0.53 0.34 -1.00 0.00 0.00 179.01 178.36 2q78 s ASP 27 N -5.62 5.76 0.25 1.42 -1.08 -1.26 -4.98 116.67 111.16 2q78 s ASP 27 Ca -0.12 -0.37 -0.03 0.00 -0.52 0.00 0.00 52.55 51.51 2q78 s ASP 27 Cb 0.20 -2.06 0.29 0.00 -1.46 0.00 0.00 42.92 39.89 2q78 s ASP 27 CO 0.79 -0.17 1.74 0.40 0.52 0.00 0.00 175.17 178.45 2q78 h ILE 28 N 5.54 1.25 0.00 4.11 5.03 -1.97 -3.07 117.51 128.40 2q78 h ILE 28 Ca -0.33 -1.04 0.00 0.00 -0.12 0.00 0.00 64.86 63.37 2q78 h ILE 28 Cb 1.16 0.88 0.00 0.00 -3.03 0.00 0.00 36.82 35.83 2q78 h ILE 28 CO 0.61 0.37 0.00 -0.62 -0.68 0.00 0.00 178.15 177.82 2q78 n GLU 29 N -4.20 0.57 0.00 2.37 1.02 -1.26 -4.71 120.64 114.43 2q78 n GLU 29 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2q78 n GLU 29 Cb 0.31 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 2q78 n GLU 29 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2q78 n LEU 31 N 1.48 0.00 0.22 -4.62 4.77 -1.16 -4.90 117.00 112.79 2q78 n LEU 31 Ca 0.00 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.13 2q78 n LEU 31 Cb 0.28 0.00 0.58 0.00 -2.33 0.00 0.00 43.42 41.96 2q78 n LEU 31 CO 0.00 0.00 0.93 -2.24 -1.33 0.00 0.00 177.39 174.75 2q78 h ASP 32 N 0.00 0.00 1.16 -1.43 2.03 -1.92 -1.58 116.42 114.68 2q78 h ASP 32 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2q78 h ASP 32 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2q78 h ASP 32 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 179.24 178.14 2q78 h LEU 33 N 0.00 0.00 -1.54 0.15 3.38 -1.97 -3.47 115.31 111.86 2q78 h LEU 33 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2q78 h LEU 33 Cb 0.49 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.11 2q78 h LEU 33 CO 0.00 0.00 -0.87 0.00 0.09 0.00 0.00 178.44 177.66 2q78 n HIS 34 N -3.02 -1.68 -2.28 1.13 -0.00 -0.59 -4.74 115.22 104.04 2q78 n HIS 34 Ca 0.01 0.76 -0.38 0.00 -0.00 0.00 0.00 57.72 58.12 2q78 n HIS 34 Cb 0.34 -3.33 -0.02 0.00 -0.00 0.00 0.00 29.99 26.98 2q78 n HIS 34 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2q78 s LEU 35 N -7.14 4.14 0.11 2.39 1.43 -1.26 0.07 118.68 118.42 2q78 s LEU 35 Ca 0.35 2.34 -0.30 0.00 -1.03 0.00 0.00 54.13 55.48 2q78 s LEU 35 Cb -0.19 -4.08 -0.06 0.00 0.03 0.00 0.00 46.19 41.89 2q78 s LEU 35 CO 0.91 -0.74 0.97 0.54 0.23 0.00 0.00 176.35 178.26 2q78 s VAL 36 N -1.45 4.49 0.40 -1.59 0.11 0.62 0.04 120.40 123.01 2q78 s VAL 36 Ca 0.59 2.04 -0.24 0.00 -2.93 0.00 0.00 61.98 61.44 2q78 s VAL 36 Cb -0.30 -4.30 -0.09 0.00 -1.53 0.00 0.00 36.38 30.15 2q78 s VAL 36 CO 0.37 0.30 1.04 0.00 -3.33 0.00 0.00 175.10 173.48 2q78 s ALA 37 N 0.06 3.08 0.10 1.54 0.00 -1.26 -4.68 121.76 120.61 2q78 s ALA 37 Ca 0.48 0.67 -0.20 0.00 0.00 0.00 0.00 51.96 52.90 2q78 s ALA 37 Cb -0.24 -3.26 -0.08 0.00 0.00 0.00 0.00 23.12 19.54 2q78 s ALA 37 CO 0.30 -0.17 1.68 1.15 0.00 0.00 0.00 175.76 178.72 2q78 h THR 38 N 2.18 1.12 -0.38 0.00 2.02 -1.96 -1.92 112.91 113.97 2q78 h THR 38 Ca -0.48 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 66.33 2q78 h THR 38 Cb 1.21 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.60 2q78 h THR 38 CO 0.62 0.12 0.12 0.77 0.37 0.00 0.00 175.52 177.52 2q78 h SER 39 N 0.19 0.50 -0.33 4.18 4.64 -2.00 -1.03 113.55 119.69 2q78 h SER 39 Ca 0.07 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 2q78 h SER 39 Cb 0.10 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 2q78 h SER 39 CO -0.01 0.48 0.08 0.00 -0.87 0.00 0.00 176.83 176.51 2q78 h ALA 40 N 1.60 0.44 -0.83 5.18 0.00 -1.84 -2.00 119.26 121.82 2q78 h ALA 40 Ca 0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2q78 h ALA 40 Cb 0.16 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2q78 h ALA 40 CO -0.01 0.11 0.46 -0.07 0.00 0.00 0.00 179.25 179.73 2q78 h LEU 41 N 0.38 1.03 -0.68 0.00 3.38 -0.74 -1.51 115.31 117.18 2q78 h LEU 41 Ca 0.10 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 58.02 2q78 h LEU 41 Cb 0.30 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 2q78 h LEU 41 CO 0.00 0.83 0.41 0.40 0.09 0.00 0.00 178.44 180.17 2q78 h ILE 42 N 1.15 1.04 -0.46 1.22 2.04 -1.03 -0.52 117.51 120.95 2q78 h ILE 42 Ca 0.29 -0.27 0.06 0.00 1.00 0.00 0.00 64.86 65.94 2q78 h ILE 42 Cb 0.03 0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 36.25 2q78 h ILE 42 CO -0.05 0.14 0.18 1.23 0.00 0.00 0.00 178.15 179.66 2q78 h GLY 43 N 0.78 0.62 0.91 5.37 0.00 -0.79 0.15 103.07 110.11 2q78 h GLY 43 Ca 0.29 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.49 2q78 h GLY 43 CO -0.14 0.04 0.11 -2.08 0.00 0.00 0.00 176.54 174.47 2q78 h VAL 44 N 0.36 1.18 -0.49 4.60 2.07 -0.55 -0.36 116.25 123.07 2q78 h VAL 44 Ca 0.22 -0.53 0.02 0.00 0.82 0.00 0.00 66.70 67.22 2q78 h VAL 44 Cb 0.20 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 2q78 h VAL 44 CO -0.21 0.18 0.29 0.58 0.02 0.00 0.00 177.57 178.44 2q78 h VAL 45 N 0.31 1.06 -0.61 2.57 2.07 -0.75 -2.61 116.25 118.28 2q78 h VAL 45 Ca 0.09 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.41 2q78 h VAL 45 Cb 0.18 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2q78 h VAL 45 CO -0.01 0.11 0.38 0.45 0.02 0.00 0.00 177.57 178.52 2q78 h HIS 46 N 0.59 0.78 -0.39 1.57 3.86 -0.38 -2.93 115.15 118.26 2q78 h HIS 46 Ca 0.19 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 2q78 h HIS 46 Cb 0.01 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.20 2q78 h HIS 46 CO -0.06 0.52 0.19 -0.09 0.86 0.00 0.00 177.93 179.35 2q78 h ARG 47 N 0.82 0.53 -0.19 2.45 2.43 -0.72 -1.80 114.38 117.90 2q78 h ARG 47 Ca 0.22 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.22 2q78 h ARG 47 Cb -0.06 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 2q78 h ARG 47 CO -0.04 0.41 -0.38 0.28 -1.51 0.00 0.00 179.97 178.73 2q78 h VAL 48 N 0.54 1.30 -0.41 0.20 2.07 -1.30 -2.07 116.25 116.58 2q78 h VAL 48 Ca 0.14 -1.50 -0.08 0.00 0.82 0.00 0.00 66.70 66.07 2q78 h VAL 48 Cb 0.05 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2q78 h VAL 48 CO -0.02 0.46 -0.10 0.77 0.02 0.00 0.00 177.57 178.71 2q78 h SER 49 N 0.36 0.70 -0.17 0.57 4.64 -1.20 -1.87 113.55 116.57 2q78 h SER 49 Ca 0.04 -0.20 -0.03 0.00 -0.47 0.00 0.00 61.79 61.13 2q78 h SER 49 Cb 0.83 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 2q78 h SER 49 CO 0.07 0.83 -0.03 0.22 -0.87 0.00 0.00 176.83 177.05 2q78 h TYR 50 N 0.65 0.35 -0.81 4.77 5.03 -1.28 -1.30 116.97 124.38 2q78 h TYR 50 Ca 0.12 -0.07 0.09 0.00 2.58 0.00 0.00 58.73 61.44 2q78 h TYR 50 Cb 0.55 -0.09 -0.06 0.00 1.55 0.00 0.00 36.73 38.68 2q78 h TYR 50 CO 0.03 0.57 0.53 1.49 -1.32 0.00 0.00 178.16 179.45 2q78 h GLU 51 N 0.04 0.78 -0.34 1.82 4.57 -1.27 -0.34 114.58 119.83 2q78 h GLU 51 Ca 0.04 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 2q78 h GLU 51 Cb 0.45 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 2q78 h GLU 51 CO 0.01 0.51 0.11 1.25 -1.18 0.00 0.00 179.01 179.72 2q78 h LEU 52 N 0.80 0.50 -0.26 1.64 6.46 -1.14 -3.34 115.31 119.98 2q78 h LEU 52 Ca 0.37 -0.20 -0.21 0.00 -0.12 0.00 0.00 57.88 57.72 2q78 h LEU 52 Cb 0.37 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 40.17 2q78 h LEU 52 CO -0.14 0.57 -0.86 -0.07 -0.62 0.00 0.00 178.44 177.32 2q78 h LEU 53 N 0.40 0.53 -0.94 2.25 3.38 -0.32 -3.37 115.31 117.24 2q78 h LEU 53 Ca 0.11 -0.39 0.09 0.00 0.09 0.00 0.00 57.88 57.78 2q78 h LEU 53 Cb 0.24 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 40.76 2q78 h LEU 53 CO -0.00 1.17 0.58 0.77 0.09 0.00 0.00 178.44 181.05 2q78 h SER 54 N 0.26 0.87 -0.95 -0.43 4.64 -1.21 0.40 113.55 117.13 2q78 h SER 54 Ca -0.06 0.04 0.26 0.00 -0.47 0.00 0.00 61.79 61.56 2q78 h SER 54 Cb 1.47 -0.14 -0.14 0.00 -0.31 0.00 0.00 62.40 63.28 2q78 h SER 54 CO 0.15 0.51 0.45 0.03 -0.87 0.00 0.00 176.83 177.09 2q78 h ARG 55 N 0.98 0.35 -0.02 4.77 3.08 -1.77 -2.86 114.38 118.91 2q78 h ARG 55 Ca 0.44 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.47 2q78 h ARG 55 Cb 0.34 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2q78 h ARG 55 CO -0.23 0.23 -0.31 0.66 -1.07 0.00 0.00 179.97 179.25 2q78 n TYR 56 N -5.07 0.00 -2.20 3.04 4.01 0.14 -4.98 117.16 112.10 2q78 n TYR 56 Ca 0.26 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.61 2q78 n TYR 56 Cb 0.79 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.80 2q78 n TYR 56 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2q78 s LEU 57 N -2.29 4.28 0.86 7.72 1.43 -0.94 -5.01 118.68 124.72 2q78 s LEU 57 Ca 0.21 2.50 -0.12 0.00 -1.03 0.00 0.00 54.13 55.70 2q78 s LEU 57 Cb 0.18 -3.88 0.11 0.00 0.03 0.00 0.00 46.19 42.64 2q78 s LEU 57 CO 0.47 -0.66 1.17 -2.84 0.23 0.00 0.00 176.35 174.73 2q78 s PRO 58 N -2.11 1.36 0.21 1.29 0.02 -1.26 -4.91 135.00 129.60 2q78 s PRO 58 Ca 0.54 1.64 -0.09 0.00 0.02 0.00 0.00 61.00 63.11 2q78 s PRO 58 Cb -0.35 -1.76 0.20 0.00 0.02 0.00 0.00 34.50 32.61 2q78 s PRO 58 CO 0.45 -2.40 1.87 -0.91 -0.33 0.00 0.00 177.00 175.67 2q78 h ASN 59 N -1.37 0.82 -0.72 2.53 2.35 -1.99 -1.88 115.58 115.31 2q78 h ASN 59 Ca -0.45 -0.01 -0.32 0.00 -0.55 0.00 0.00 56.30 54.98 2q78 h ASN 59 Cb 1.28 -0.19 -0.19 0.00 0.05 0.00 0.00 38.32 39.28 2q78 h ASN 59 CO 0.44 0.57 0.33 0.47 -1.65 0.00 0.00 177.43 177.59 2q78 n ASP 60 N -4.60 3.77 -4.50 5.81 8.00 -1.26 -4.98 116.55 118.79 2q78 n ASP 60 Ca 0.08 -3.50 -0.29 0.00 0.71 0.00 0.00 54.79 51.79 2q78 n ASP 60 Cb 0.07 -0.74 -0.11 0.00 -0.02 0.00 0.00 41.12 40.31 2q78 n ASP 60 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2q78 s TYR 61 N -3.17 2.56 0.31 1.24 1.51 -0.71 -1.33 117.35 117.76 2q78 s TYR 61 Ca 0.53 -0.25 0.01 0.00 -1.01 0.00 0.00 57.07 56.35 2q78 s TYR 61 Cb 0.44 -1.36 -0.01 0.00 -0.11 0.00 0.00 41.96 40.93 2q78 s TYR 61 CO 0.09 0.39 0.05 -2.37 -1.11 0.00 0.00 175.55 172.60 2q78 n THR 62 N 0.82 0.00 -3.66 -0.71 5.66 0.60 -4.75 114.28 112.23 2q78 n THR 62 Ca -0.15 -1.61 -0.17 0.00 -3.05 0.00 0.00 64.05 59.06 2q78 n THR 62 Cb 0.53 0.46 -0.16 0.00 -1.55 0.00 0.00 70.33 69.60 2q78 n THR 62 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2q78 s ALA 63 N -2.67 -0.09 0.02 1.79 0.00 -1.26 -1.22 121.76 118.33 2q78 s ALA 63 Ca 0.07 0.48 0.08 0.00 0.00 0.00 0.00 51.96 52.60 2q78 s ALA 63 Cb 0.00 -0.80 -0.02 0.00 0.00 0.00 0.00 23.12 22.30 2q78 s ALA 63 CO 0.05 -0.57 -0.25 0.14 0.00 0.00 0.00 175.76 175.13 2q78 s VAL 64 N 2.27 1.99 0.09 0.00 -7.23 -0.46 -4.88 120.40 112.18 2q78 s VAL 64 Ca 0.03 -1.25 -0.31 0.00 -1.81 0.00 0.00 61.98 58.65 2q78 s VAL 64 Cb -0.12 -1.69 -0.07 0.00 0.56 0.00 0.00 36.38 35.06 2q78 s VAL 64 CO -0.05 0.39 1.24 -0.69 -0.31 0.00 0.00 175.10 175.68 2q78 s VAL 65 N -0.73 3.79 -0.01 1.32 1.01 -1.26 -0.21 120.40 124.32 2q78 s VAL 65 Ca 0.10 1.32 0.04 0.00 0.00 0.00 0.00 61.98 63.44 2q78 s VAL 65 Cb -0.10 -3.84 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 2q78 s VAL 65 CO 0.01 0.12 0.09 1.33 0.00 0.00 0.00 175.10 176.65 2q78 n VAL 66 N 3.72 0.03 -3.73 2.92 0.24 -0.09 -4.91 118.33 116.51 2q78 n VAL 66 Ca 0.09 -0.11 -0.13 0.00 -2.04 0.00 0.00 64.34 62.15 2q78 n VAL 66 Cb 0.45 0.27 -0.09 0.00 -1.47 0.00 0.00 33.84 32.99 2q78 n VAL 66 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2q78 s GLU 67 N -2.28 0.55 -0.16 7.34 2.12 -1.20 -5.02 118.70 120.05 2q78 s GLU 67 Ca -0.02 0.37 -0.08 0.00 0.36 0.00 0.00 54.97 55.60 2q78 s GLU 67 Cb 0.03 0.26 0.06 0.00 0.26 0.00 0.00 34.13 34.74 2q78 s GLU 67 CO 0.18 -0.10 0.38 -0.08 -0.54 0.00 0.00 175.26 175.10 2q78 s THR 68 N -0.23 -0.04 -0.10 -1.70 -1.32 -1.26 -0.58 115.64 110.40 2q78 s THR 68 Ca -0.04 0.11 0.03 0.00 -1.21 0.00 0.00 61.69 60.57 2q78 s THR 68 Cb -0.03 -0.57 0.01 0.00 -1.51 0.00 0.00 72.50 70.40 2q78 s THR 68 CO 0.02 0.04 -0.18 -0.76 -2.21 0.00 0.00 174.62 171.53 2q78 s LEU 69 N 1.41 1.87 0.02 9.08 1.43 0.21 -5.00 118.68 127.70 2q78 s LEU 69 Ca -0.09 -0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 52.52 2q78 s LEU 69 Cb -0.09 -1.18 -0.01 0.00 0.03 0.00 0.00 46.19 44.94 2q78 s LEU 69 CO -0.12 0.07 0.02 0.00 0.23 0.00 0.00 176.35 176.55 2q78 s ALA 70 N 0.70 -0.01 -0.13 4.21 0.00 -1.26 -0.35 121.76 124.92 2q78 s ALA 70 Ca -0.12 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.41 2q78 s ALA 70 Cb -0.16 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.11 2q78 s ALA 70 CO 0.03 -0.17 -0.20 0.50 0.00 0.00 0.00 175.76 175.91 2q78 s ARG 71 N -1.43 2.79 -0.44 0.00 3.52 0.62 -5.00 118.95 119.01 2q78 s ARG 71 Ca -0.16 -0.77 -0.07 0.00 -0.13 0.00 0.00 55.73 54.61 2q78 s ARG 71 Cb -0.09 -2.26 0.11 0.00 -1.56 0.00 0.00 34.95 31.14 2q78 s ARG 71 CO -0.00 -0.01 0.28 -1.58 -0.81 0.00 0.00 175.30 173.17 2q78 s HIS 72 N 0.82 3.48 -0.12 5.12 5.65 -1.26 -1.52 115.29 127.45 2q78 s HIS 72 Ca -0.08 -2.06 0.17 0.00 0.25 0.00 0.00 55.06 53.33 2q78 s HIS 72 Cb -0.16 -3.32 -0.22 0.00 -1.18 0.00 0.00 32.58 27.70 2q78 s HIS 72 CO -0.01 -0.97 0.47 1.33 -0.65 0.00 0.00 174.74 174.91 2q78 n VAL 73 N 4.78 1.26 -4.05 0.89 0.24 -0.32 -4.94 118.33 116.19 2q78 n VAL 73 Ca -0.06 -0.76 -0.14 0.00 -2.04 0.00 0.00 64.34 61.34 2q78 n VAL 73 Cb 0.41 -0.64 -0.14 0.00 -1.47 0.00 0.00 33.84 32.00 2q78 n VAL 73 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2q78 s LYS 74 N -2.73 0.31 0.36 7.34 2.20 -1.11 -5.06 119.74 121.05 2q78 s LYS 74 Ca -0.07 -0.23 -0.26 0.00 -0.36 0.00 0.00 55.97 55.05 2q78 s LYS 74 Cb 0.08 -0.24 -0.09 0.00 -1.51 0.00 0.00 37.83 36.07 2q78 s LYS 74 CO 0.83 0.06 1.12 0.00 -0.36 0.00 0.00 175.35 177.00 2q78 s ALA 75 N -0.33 3.22 -0.02 3.13 0.00 -1.26 -4.79 121.76 121.71 2q78 s ALA 75 Ca -0.01 0.88 0.00 0.00 0.00 0.00 0.00 51.96 52.83 2q78 s ALA 75 Cb -0.03 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.77 2q78 s ALA 75 CO -0.00 -0.34 0.00 0.54 0.00 0.00 0.00 175.76 175.96 2q78 s VAL 76 N -1.40 0.12 0.55 0.00 0.11 -1.26 -5.06 120.40 113.46 2q78 s VAL 76 Ca 0.53 0.08 -0.12 0.00 -2.93 0.00 0.00 61.98 59.54 2q78 s VAL 76 Cb -0.29 -0.20 -0.05 0.00 -1.53 0.00 0.00 36.38 34.31 2q78 s VAL 76 CO 0.37 0.11 0.96 -2.16 -3.33 0.00 0.00 175.10 171.05 2q78 s PRO 77 N 0.79 3.72 0.87 1.54 0.04 -1.26 -0.28 135.00 140.42 2q78 s PRO 77 Ca -0.08 0.72 -0.11 0.00 0.04 0.00 0.00 61.00 61.58 2q78 s PRO 77 Cb -0.11 -2.16 0.11 0.00 0.04 0.00 0.00 34.50 32.38 2q78 s PRO 77 CO -0.02 -0.38 1.10 0.95 0.04 0.00 0.00 177.00 178.69 2q78 s THR 78 N -2.88 2.73 0.00 1.26 -4.23 0.11 -3.75 115.64 108.88 2q78 s THR 78 Ca 0.55 0.24 0.00 0.00 -1.18 0.00 0.00 61.69 61.30 2q78 s THR 78 Cb -0.11 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.17 2q78 s THR 78 CO 0.44 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 2q78 n GLY 79 N -0.66 0.44 3.68 3.99 0.00 0.19 -5.02 105.19 107.82 2q78 n GLY 79 Ca 0.09 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 2q78 n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2q78 s THR 80 N -2.00 4.52 0.00 2.61 2.01 -1.25 -4.91 115.64 116.63 2q78 s THR 80 Ca 0.00 -0.16 -0.25 0.00 0.31 0.00 0.00 61.69 61.59 2q78 s THR 80 Cb 0.00 -2.94 -0.05 0.00 0.01 0.00 0.00 72.50 69.52 2q78 s THR 80 CO 0.00 0.57 0.77 -0.13 -0.69 0.00 0.00 174.62 175.14 2q78 s ARG 81 N -0.56 4.48 0.12 4.92 0.52 -1.26 -0.73 118.95 126.45 2q78 s ARG 81 Ca 0.10 1.05 0.10 0.00 -0.52 0.00 0.00 55.73 56.46 2q78 s ARG 81 Cb -0.12 -3.40 -0.04 0.00 0.52 0.00 0.00 34.95 31.91 2q78 s ARG 81 CO 0.02 0.17 -0.25 0.14 0.02 0.00 0.00 175.30 175.40 2q78 s VAL 82 N 0.36 2.11 -0.34 3.52 -7.23 -0.02 -4.66 120.40 114.14 2q78 s VAL 82 Ca 0.40 -1.70 -0.20 0.00 -1.81 0.00 0.00 61.98 58.67 2q78 s VAL 82 Cb -0.20 -1.88 -0.00 0.00 0.56 0.00 0.00 36.38 34.86 2q78 s VAL 82 CO 0.22 0.05 0.63 0.00 -0.31 0.00 0.00 175.10 175.70 2q78 s ALA 83 N -1.08 3.48 -0.36 1.32 0.00 -1.26 -0.88 121.76 122.98 2q78 s ALA 83 Ca 0.12 -0.78 -0.10 0.00 0.00 0.00 0.00 51.96 51.19 2q78 s ALA 83 Cb -0.10 -3.15 0.02 0.00 0.00 0.00 0.00 23.12 19.90 2q78 s ALA 83 CO 0.05 -1.25 0.19 0.08 0.00 0.00 0.00 175.76 174.83 2q78 s VAL 84 N 2.67 4.50 -0.09 0.00 1.01 -0.18 -4.27 120.40 124.04 2q78 s VAL 84 Ca 0.25 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 2q78 s VAL 84 Cb -0.15 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 2q78 s VAL 84 CO 0.14 -0.18 -0.05 -0.83 0.00 0.00 0.00 175.10 174.18 2q78 s GLY 85 N 1.55 1.73 0.04 4.51 0.00 -0.36 -1.17 107.32 113.63 2q78 s GLY 85 Ca 0.02 -0.86 0.04 0.00 0.00 0.00 0.00 44.72 43.93 2q78 s GLY 85 CO 0.06 -0.51 -0.12 -1.34 0.00 0.00 0.00 173.10 171.19 2q78 s VAL 86 N -0.56 0.94 0.00 1.40 -7.23 0.01 -0.86 120.40 114.09 2q78 s VAL 86 Ca 0.09 -0.99 0.01 0.00 -1.81 0.00 0.00 61.98 59.28 2q78 s VAL 86 Cb -0.12 -0.88 -0.01 0.00 0.56 0.00 0.00 36.38 35.94 2q78 s VAL 86 CO 0.02 -0.09 -0.05 -0.60 -0.31 0.00 0.00 175.10 174.07 2q78 s ARG 87 N -1.22 0.36 -0.38 4.82 3.52 -0.24 -1.02 118.95 124.79 2q78 s ARG 87 Ca -0.01 -0.23 -0.27 0.00 -0.13 0.00 0.00 55.73 55.08 2q78 s ARG 87 Cb -0.08 -0.31 0.02 0.00 -1.56 0.00 0.00 34.95 33.02 2q78 s ARG 87 CO 0.01 0.08 1.00 0.08 -0.81 0.00 0.00 175.30 175.67 2q78 s VAL 88 N -0.29 4.49 -0.58 7.11 1.01 0.31 -1.22 120.40 131.23 2q78 s VAL 88 Ca -0.00 1.31 0.21 0.00 0.00 0.00 0.00 61.98 63.49 2q78 s VAL 88 Cb -0.03 -4.41 -0.27 0.00 0.00 0.00 0.00 36.38 31.67 2q78 s VAL 88 CO -0.00 -0.63 0.71 1.33 0.00 0.00 0.00 175.10 176.51 2q78 n VAL 89 N 6.14 0.00 -3.55 2.92 0.24 -0.23 -1.37 118.33 122.48 2q78 n VAL 89 Ca 0.09 -0.21 -0.09 0.00 -2.04 0.00 0.00 64.34 62.09 2q78 n VAL 89 Cb 0.48 0.59 -0.04 0.00 -1.47 0.00 0.00 33.84 33.40 2q78 n VAL 89 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2q78 s GLY 90 N -3.59 -0.35 -0.02 7.63 0.00 -1.18 -4.92 107.32 104.89 2q78 s GLY 90 Ca 0.01 1.58 0.01 0.00 0.00 0.00 0.00 44.72 46.32 2q78 s GLY 90 CO 0.87 0.70 -0.02 0.14 0.00 0.00 0.00 173.10 174.79 2q78 s VAL 91 N -2.06 0.25 -0.23 1.40 1.01 -1.26 -0.59 120.40 118.91 2q78 s VAL 91 Ca 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 2q78 s VAL 91 Cb -0.01 -0.29 0.07 0.00 0.00 0.00 0.00 36.38 36.15 2q78 s VAL 91 CO -0.03 0.13 0.06 -0.69 0.00 0.00 0.00 175.10 174.57 2q78 s VAL 92 N 0.67 0.57 0.00 2.92 1.01 -0.21 -4.95 120.40 120.41 2q78 s VAL 92 Ca -0.07 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.12 2q78 s VAL 92 Cb -0.10 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.08 2q78 s VAL 92 CO -0.01 -0.37 0.00 0.61 0.00 0.00 0.00 175.10 175.33 2q78 n GLY 93 N 5.01 3.92 1.01 4.51 0.00 -1.26 -1.28 105.19 117.09 2q78 n GLY 93 Ca -0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.03 2q78 n GLY 93 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2q78 n ASN 94 N 6.79 2.93 -4.50 1.61 6.94 -1.26 -4.41 115.26 123.36 2q78 n ASN 94 Ca 0.00 -2.09 -0.35 0.00 -0.02 0.00 0.00 54.58 52.11 2q78 n ASN 94 Cb 0.00 -0.38 -0.12 0.00 -2.36 0.00 0.00 39.78 36.92 2q78 n ASN 94 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2q78 s ARG 95 N -1.45 3.73 -0.21 -3.83 1.81 -0.41 -0.82 118.95 117.78 2q78 s ARG 95 Ca 0.34 -0.45 -0.03 0.00 -1.72 0.00 0.00 55.73 53.87 2q78 s ARG 95 Cb 0.19 -3.21 -0.00 0.00 -0.45 0.00 0.00 34.95 31.48 2q78 s ARG 95 CO 0.21 0.01 -0.08 0.08 -0.68 0.00 0.00 175.30 174.84 2q78 s VAL 96 N 1.06 3.03 -0.21 3.52 1.01 0.39 -1.04 120.40 128.15 2q78 s VAL 96 Ca 0.03 -0.61 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 2q78 s VAL 96 Cb -0.14 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 2q78 s VAL 96 CO 0.03 0.45 0.45 -0.75 0.00 0.00 0.00 175.10 175.28 2q78 s LYS 97 N 1.43 4.16 0.13 2.72 2.20 0.24 -1.30 119.74 129.33 2q78 s LYS 97 Ca 0.06 0.28 0.05 0.00 -0.36 0.00 0.00 55.97 56.00 2q78 s LYS 97 Cb -0.14 -3.56 -0.04 0.00 -1.51 0.00 0.00 37.83 32.58 2q78 s LYS 97 CO -0.06 -0.12 0.08 -0.06 -0.36 0.00 0.00 175.35 174.84 2q78 s PHE 98 N 1.55 3.10 -0.05 4.03 0.40 0.16 -1.06 117.98 126.12 2q78 s PHE 98 Ca 0.21 -0.00 0.02 0.00 -0.60 0.00 0.00 56.93 56.55 2q78 s PHE 98 Cb -0.15 -1.54 -0.03 0.00 0.51 0.00 0.00 43.02 41.81 2q78 s PHE 98 CO 0.09 0.51 -0.07 1.03 0.70 0.00 0.00 175.22 177.48 2q78 s ARG 99 N -2.73 2.68 0.05 0.44 0.52 -0.35 -1.12 118.95 118.44 2q78 s ARG 99 Ca 0.29 -0.60 0.04 0.00 -0.52 0.00 0.00 55.73 54.94 2q78 s ARG 99 Cb -0.11 -2.56 -0.03 0.00 0.52 0.00 0.00 34.95 32.78 2q78 s ARG 99 CO 0.22 0.64 -0.12 0.20 0.02 0.00 0.00 175.30 176.26 2q78 s GLY 100 N -0.99 0.71 -0.03 -3.53 0.00 -0.04 -1.08 107.32 102.37 2q78 s GLY 100 Ca 0.14 -0.86 -0.06 0.00 0.00 0.00 0.00 44.72 43.94 2q78 s GLY 100 CO 0.03 -0.89 0.14 -1.50 0.00 0.00 0.00 173.10 170.88 2q78 s ILE 101 N -1.18 0.04 0.45 0.90 2.07 -0.04 -1.13 121.20 122.30 2q78 s ILE 101 Ca -0.04 -0.29 0.05 0.00 -1.41 0.00 0.00 60.65 58.96 2q78 s ILE 101 Cb -0.09 -0.29 -0.05 0.00 0.13 0.00 0.00 42.46 42.16 2q78 s ILE 101 CO 0.01 -0.16 0.08 -0.69 -1.91 0.00 0.00 174.94 172.27 2q78 s VAL 102 N -0.52 1.83 -0.33 4.00 1.01 0.30 -1.22 120.40 125.46 2q78 s VAL 102 Ca -0.06 -1.89 0.05 0.00 0.00 0.00 0.00 61.98 60.08 2q78 s VAL 102 Cb -0.04 -2.71 0.18 0.00 0.00 0.00 0.00 36.38 33.80 2q78 s VAL 102 CO 0.01 0.00 0.51 -0.55 0.00 0.00 0.00 175.10 175.07 2q78 s SER 104 N -3.85 -0.54 1.41 3.32 0.15 0.07 -0.68 113.70 113.58 2q78 s SER 104 Ca 0.29 -0.49 0.00 0.00 0.70 0.00 0.00 55.95 56.45 2q78 s SER 104 Cb 0.05 1.50 0.00 0.00 -1.71 0.00 0.00 66.02 65.86 2q78 s SER 104 CO 0.15 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 174.92 2q78 n GLY 105 N 4.99 2.13 0.83 9.45 0.00 -1.26 -1.77 105.19 119.56 2q78 n GLY 105 Ca 0.06 0.39 0.13 0.00 0.00 0.00 0.00 46.02 46.60 2q78 n GLY 105 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2q78 n ASP 106 N 8.86 2.60 -4.66 1.61 5.68 -1.26 -4.90 116.55 124.48 2q78 n ASP 106 Ca 0.00 -1.86 -0.37 0.00 -0.50 0.00 0.00 54.79 52.06 2q78 n ASP 106 Cb 0.00 -0.01 -0.09 0.00 -1.14 0.00 0.00 41.12 39.88 2q78 n ASP 106 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 2q78 s GLU 107 N -1.99 4.10 0.04 0.11 0.41 -0.73 -5.06 118.70 115.59 2q78 s GLU 107 Ca 0.31 -0.14 -0.31 0.00 -0.41 0.00 0.00 54.97 54.42 2q78 s GLU 107 Cb 0.20 -3.54 -0.06 0.00 -1.78 0.00 0.00 34.13 28.95 2q78 s GLU 107 CO 0.31 0.03 1.34 0.21 -0.49 0.00 0.00 175.26 176.66 2q78 s LYS 108 N 1.13 4.33 -0.26 1.61 2.20 -1.26 -0.75 119.74 126.74 2q78 s LYS 108 Ca 0.11 1.94 -0.15 0.00 -0.36 0.00 0.00 55.97 57.50 2q78 s LYS 108 Cb -0.14 -3.43 -0.12 0.00 -1.51 0.00 0.00 37.83 32.63 2q78 s LYS 108 CO 0.05 -0.46 -0.28 -0.89 -0.36 0.00 0.00 175.35 173.42 2q78 n ILE 109 N 4.29 1.53 -3.75 5.43 2.08 0.14 -4.31 119.36 124.77 2q78 n ILE 109 Ca 0.12 -0.28 -0.13 0.00 0.56 0.00 0.00 62.75 63.01 2q78 n ILE 109 Cb 0.44 -1.95 -0.11 0.00 -0.75 0.00 0.00 39.64 37.27 2q78 n ILE 109 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2q78 s LEU 110 N -7.61 0.59 0.13 1.39 0.20 -1.19 -1.18 118.68 111.01 2q78 s LEU 110 Ca -0.36 0.73 0.08 0.00 0.69 0.00 0.00 54.13 55.27 2q78 s LEU 110 Cb 0.13 1.24 -0.04 0.00 -0.43 0.00 0.00 46.19 47.08 2q78 s LEU 110 CO 0.49 -0.13 -0.19 -1.83 -0.29 0.00 0.00 176.35 174.40 2q78 s GLU 111 N 0.24 1.17 0.01 1.98 -1.05 -0.58 -0.54 118.70 119.94 2q78 s GLU 111 Ca -0.00 -1.26 -0.11 0.00 -0.15 0.00 0.00 54.97 53.44 2q78 s GLU 111 Cb -0.03 -1.33 0.01 0.00 -0.44 0.00 0.00 34.13 32.34 2q78 s GLU 111 CO -0.00 0.29 0.24 0.00 0.95 0.00 0.00 175.26 176.74 2q78 s ALA 112 N -1.56 -0.55 -0.11 -0.84 0.00 -0.28 -0.28 121.76 118.13 2q78 s ALA 112 Ca 0.10 0.02 -0.02 0.00 0.00 0.00 0.00 51.96 52.06 2q78 s ALA 112 Cb -0.08 0.17 0.04 0.00 0.00 0.00 0.00 23.12 23.25 2q78 s ALA 112 CO 0.05 -0.29 0.02 -2.00 0.00 0.00 0.00 175.76 173.54 2q78 s GLU 113 N -1.80 0.57 0.09 0.00 2.12 0.52 -0.86 118.70 119.34 2q78 s GLU 113 Ca -0.11 -0.05 -0.08 0.00 0.36 0.00 0.00 54.97 55.09 2q78 s GLU 113 Cb -0.04 -1.35 -0.01 0.00 0.26 0.00 0.00 34.13 32.99 2q78 s GLU 113 CO 0.01 -0.43 0.17 -0.59 -0.54 0.00 0.00 175.26 173.88 2q78 s PHE 114 N 1.95 0.22 -0.09 5.30 -0.71 -0.28 -0.62 117.98 123.77 2q78 s PHE 114 Ca 0.03 -0.66 0.03 0.00 -1.04 0.00 0.00 56.93 55.28 2q78 s PHE 114 Cb -0.14 -0.10 0.01 0.00 -1.21 0.00 0.00 43.02 41.58 2q78 s PHE 114 CO -0.06 -0.54 -0.16 0.08 -1.34 0.00 0.00 175.22 173.20 2q78 s VAL 115 N -3.88 1.50 -0.02 -2.49 1.01 0.25 0.39 120.40 117.15 2q78 s VAL 115 Ca 0.06 -0.68 -0.00 0.00 0.00 0.00 0.00 61.98 61.37 2q78 s VAL 115 Cb 0.05 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 2q78 s VAL 115 CO -0.10 0.44 0.03 -0.13 0.00 0.00 0.00 175.10 175.34 2q78 s ARG 116 N 0.68 2.93 -0.22 2.72 0.52 -0.42 -0.92 118.95 124.24 2q78 s ARG 116 Ca -0.13 -0.51 -0.07 0.00 -0.52 0.00 0.00 55.73 54.49 2q78 s ARG 116 Cb -0.16 -2.77 -0.03 0.00 0.52 0.00 0.00 34.95 32.51 2q78 s ARG 116 CO 0.04 0.65 0.06 0.00 0.02 0.00 0.00 175.30 176.07 2q78 s ALA 117 N -1.07 3.22 -0.35 2.13 0.00 0.71 -0.46 121.76 125.94 2q78 s ALA 117 Ca 0.19 -0.99 -0.23 0.00 0.00 0.00 0.00 51.96 50.93 2q78 s ALA 117 Cb -0.12 -1.99 0.01 0.00 0.00 0.00 0.00 23.12 21.02 2q78 s ALA 117 CO 0.09 -0.22 0.76 0.42 0.00 0.00 0.00 175.76 176.81 2q78 s ILE 118 N 1.13 4.77 0.02 0.00 1.01 0.00 -1.35 121.20 126.78 2q78 s ILE 118 Ca 0.04 0.93 -0.01 0.00 0.00 0.00 0.00 60.65 61.61 2q78 s ILE 118 Cb -0.14 -4.17 -0.02 0.00 0.01 0.00 0.00 42.46 38.14 2q78 s ILE 118 CO 0.03 -0.36 -0.01 0.68 0.00 0.00 0.00 174.94 175.28 2q78 s VAL 119 N 3.01 0.10 0.31 2.92 -7.23 -0.36 -4.88 120.40 114.26 2q78 s VAL 119 Ca 0.31 -0.80 -0.29 0.00 -1.81 0.00 0.00 61.98 59.38 2q78 s VAL 119 Cb -0.14 -0.25 -0.10 0.00 0.56 0.00 0.00 36.38 36.45 2q78 s VAL 119 CO 0.15 -0.44 1.38 -2.84 -0.31 0.00 0.00 175.10 173.05 2q78 s PRO 120 N -1.31 4.29 0.24 4.82 0.02 -1.26 -0.29 135.00 141.50 2q78 s PRO 120 Ca -0.14 2.30 -0.05 0.00 0.02 0.00 0.00 61.00 63.13 2q78 s PRO 120 Cb -0.09 -3.07 0.37 0.00 0.02 0.00 0.00 34.50 31.73 2q78 s PRO 120 CO -0.01 -0.33 1.81 0.00 -0.33 0.00 0.00 177.00 178.15 2q78 h ARG 121 N 3.94 0.74 -0.67 5.54 3.08 -1.52 -1.54 114.38 123.96 2q78 h ARG 121 Ca -0.48 -0.04 0.11 0.00 0.07 0.00 0.00 59.98 59.64 2q78 h ARG 121 Cb 1.22 -0.17 -0.08 0.00 0.08 0.00 0.00 29.97 31.03 2q78 h ARG 121 CO 0.70 0.49 0.25 1.49 -1.07 0.00 0.00 179.97 181.83 2q78 h GLU 122 N 0.77 0.41 -0.55 0.04 4.57 -1.90 -0.51 114.58 117.41 2q78 h GLU 122 Ca 0.38 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.53 2q78 h GLU 122 Cb 0.33 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 2q78 h GLU 122 CO -0.24 0.27 0.32 -0.22 -1.18 0.00 0.00 179.01 177.97 2q78 h LYS 123 N 0.42 0.76 -0.40 1.92 1.63 -1.67 -1.52 116.57 117.70 2q78 h LYS 123 Ca 0.35 -0.08 -0.06 0.00 -0.85 0.00 0.00 60.65 60.01 2q78 h LYS 123 Cb 0.46 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.92 2q78 h LYS 123 CO -0.34 0.56 0.01 1.25 -3.45 0.00 0.00 179.45 177.48 2q78 h LEU 124 N 0.74 0.61 0.06 5.20 5.85 -0.79 -1.29 115.31 125.68 2q78 h LEU 124 Ca 0.20 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 2q78 h LEU 124 Cb 0.01 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.88 2q78 h LEU 124 CO -0.03 0.67 -0.03 0.03 -0.34 0.00 0.00 178.44 178.74 2q78 h ARG 125 N 0.61 -0.07 -0.21 1.25 3.08 -0.69 -2.06 114.38 116.28 2q78 h ARG 125 Ca 0.13 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.24 2q78 h ARG 125 Cb 0.37 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.38 2q78 h ARG 125 CO 0.01 0.20 -0.16 0.00 -1.07 0.00 0.00 179.97 178.95 2q78 h ARG 126 N -0.34 -0.15 0.56 0.04 3.08 -0.97 -0.92 114.38 115.67 2q78 h ARG 126 Ca -0.01 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 2q78 h ARG 126 Cb 0.30 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 2q78 h ARG 126 CO 0.01 -0.10 -0.47 -0.07 -1.07 0.00 0.00 179.97 178.27 2q78 h LEU 127 N -0.16 -1.25 -0.50 3.04 3.38 -1.25 -0.29 115.31 118.27 2q78 h LEU 127 Ca 0.13 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2q78 h LEU 127 Cb 0.35 0.40 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2q78 h LEU 127 CO -0.31 -0.66 0.00 0.00 0.09 0.00 0.00 178.44 177.56 2q78 n ALA 128 N -2.76 1.64 -0.08 1.53 0.00 -0.78 -3.51 120.51 116.56 2q78 n ALA 128 Ca -0.12 0.05 -0.08 0.00 0.00 0.00 0.00 53.44 53.28 2q78 n ALA 128 Cb 0.45 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.54 2q78 n ALA 128 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2q78 n LEU 129 N -2.02 1.87 0.00 0.00 4.77 -0.36 -5.09 117.00 116.18 2q78 n LEU 129 Ca 0.02 0.48 0.13 0.00 -0.03 0.00 0.00 56.01 56.62 2q78 n LEU 129 Cb 0.21 -0.82 0.79 0.00 -2.33 0.00 0.00 43.42 41.27 2q78 n LEU 129 CO 0.18 -0.31 0.96 -0.62 -1.33 0.00 0.00 177.39 176.27