#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 3.14 -0.13 0.41 2.15 -1.26 -5.14 116.67 115.84 2q78 s ASP 3 Ca 0.00 -0.60 0.15 0.00 0.43 0.00 0.00 52.55 52.52 2q78 s ASP 3 Cb 0.00 -1.46 0.46 0.00 -0.30 0.00 0.00 42.92 41.62 2q78 s ASP 3 CO 0.00 0.07 1.36 0.49 -0.17 0.00 0.00 175.17 176.92 2q78 n PHE 4 N 4.14 0.78 0.27 -5.34 3.72 -1.26 -4.70 117.46 115.06 2q78 n PHE 4 Ca -0.20 -0.77 0.11 0.00 -0.05 0.00 0.00 57.45 56.53 2q78 n PHE 4 Cb 0.51 -0.23 0.73 0.00 -0.94 0.00 0.00 39.48 39.56 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 1.79 0.00 -0.00 4.37 3.32 -1.92 -0.87 116.42 123.11 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 1.23 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.78 2q78 h ASP 5 CO 0.15 0.05 0.00 2.19 -1.72 0.00 0.00 179.24 179.92 2q78 h PHE 6 N 0.00 0.00 0.00 4.55 -5.15 -2.01 -0.87 116.94 113.46 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 0.11 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.28 2q78 h PHE 6 CO 0.00 0.00 0.00 1.28 -2.00 0.00 0.00 178.31 177.59 2q78 n LEU 7 N -3.18 0.00 -4.72 2.10 4.77 -0.33 -4.78 117.00 110.87 2q78 n LEU 7 Ca -0.03 0.50 -0.42 0.00 -0.03 0.00 0.00 56.01 56.03 2q78 n LEU 7 Cb 0.07 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.63 2q78 n LEU 7 CO 0.21 -0.43 0.89 -1.61 -1.33 0.00 0.00 177.39 175.12 2q78 s GLU 8 N -3.00 4.44 0.00 3.23 2.02 -0.33 -3.01 118.70 122.04 2q78 s GLU 8 Ca 0.02 1.81 0.00 0.00 0.02 0.00 0.00 54.97 56.81 2q78 s GLU 8 Cb 0.03 -3.32 0.00 0.00 0.10 0.00 0.00 34.13 30.94 2q78 s GLU 8 CO 0.07 -0.23 0.00 0.41 0.02 0.00 0.00 175.26 175.53 2q78 n GLY 9 N 3.04 2.27 3.75 -1.39 0.00 0.01 -4.99 105.19 107.87 2q78 n GLY 9 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.38 4.15 0.06 1.61 -0.14 -1.16 -4.67 119.74 119.20 2q78 s LYS 10 Ca 0.00 2.52 0.05 0.00 -1.36 0.00 0.00 55.97 57.18 2q78 s LYS 10 Cb 0.00 -3.04 -0.03 0.00 -1.68 0.00 0.00 37.83 33.08 2q78 s LYS 10 CO 0.00 -0.59 -0.14 1.03 -0.76 0.00 0.00 175.35 174.89 2q78 s ARG 11 N -0.50 0.82 -0.04 1.68 0.52 -1.26 -0.90 118.95 119.27 2q78 s ARG 11 Ca 0.62 -0.89 -0.02 0.00 -0.52 0.00 0.00 55.73 54.93 2q78 s ARG 11 Cb -0.47 -0.81 0.02 0.00 0.52 0.00 0.00 34.95 34.22 2q78 s ARG 11 CO 0.47 0.18 0.09 -1.17 0.02 0.00 0.00 175.30 174.90 2q78 s LEU 12 N -1.57 1.20 -0.06 2.53 2.96 -0.27 -5.00 118.68 118.48 2q78 s LEU 12 Ca -0.02 0.18 0.05 0.00 -0.22 0.00 0.00 54.13 54.12 2q78 s LEU 12 Cb -0.09 0.22 -0.02 0.00 0.50 0.00 0.00 46.19 46.80 2q78 s LEU 12 CO 0.02 -0.09 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.86 2q78 s THR 13 N 0.69 2.52 -0.04 3.68 2.01 -1.26 -0.56 115.64 122.69 2q78 s THR 13 Ca -0.05 -0.91 -0.01 0.00 0.31 0.00 0.00 61.69 61.03 2q78 s THR 13 Cb -0.07 -1.96 0.03 0.00 0.01 0.00 0.00 72.50 70.51 2q78 s THR 13 CO -0.03 0.57 0.07 -0.70 -0.69 0.00 0.00 174.62 173.85 2q78 s GLU 14 N -0.39 0.02 -0.37 4.92 2.56 -0.18 -4.99 118.70 120.28 2q78 s GLU 14 Ca 0.04 0.23 -0.24 0.00 0.00 0.00 0.00 54.97 54.99 2q78 s GLU 14 Cb -0.12 -0.18 0.01 0.00 2.00 0.00 0.00 34.13 35.84 2q78 s GLU 14 CO 0.02 -0.14 0.84 -0.51 -0.56 0.00 0.00 175.26 174.91 2q78 s ASP 15 N 0.92 6.60 -0.09 -1.70 1.01 -1.26 -1.28 116.67 120.88 2q78 s ASP 15 Ca -0.07 0.43 0.00 0.00 0.71 0.00 0.00 52.55 53.62 2q78 s ASP 15 Cb -0.10 -2.42 -0.03 0.00 1.01 0.00 0.00 42.92 41.38 2q78 s ASP 15 CO -0.03 -0.79 -0.07 -0.69 0.21 0.00 0.00 175.17 173.79 2q78 s VAL 16 N 3.26 3.64 0.01 -1.27 1.01 -0.24 -4.92 120.40 121.90 2q78 s VAL 16 Ca 0.34 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.53 2q78 s VAL 16 Cb -0.13 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 2q78 s VAL 16 CO 0.18 0.57 1.08 0.00 0.00 0.00 0.00 175.10 176.93 2q78 s ALA 17 N -0.51 3.29 -0.51 5.51 0.00 -1.26 -1.53 121.76 126.74 2q78 s ALA 17 Ca 0.08 0.65 -0.20 0.00 0.00 0.00 0.00 51.96 52.48 2q78 s ALA 17 Cb -0.12 -3.40 0.05 0.00 0.00 0.00 0.00 23.12 19.65 2q78 s ALA 17 CO 0.02 -0.38 0.70 -0.51 0.00 0.00 0.00 175.76 175.59 2q78 s LEU 18 N 1.20 4.73 0.57 0.00 1.43 0.23 -4.99 118.68 121.83 2q78 s LEU 18 Ca 0.55 -0.74 0.07 0.00 -1.03 0.00 0.00 54.13 52.98 2q78 s LEU 18 Cb -0.24 -2.56 0.06 0.00 0.03 0.00 0.00 46.19 43.48 2q78 s LEU 18 CO 0.27 -0.96 0.55 1.51 0.23 0.00 0.00 176.35 177.95 2q78 s ASP 19 N 2.67 4.76 0.56 2.29 1.47 -1.26 0.20 116.67 127.36 2q78 s ASP 19 Ca 0.19 -1.15 0.27 0.00 1.18 0.00 0.00 52.55 53.05 2q78 s ASP 19 Cb -0.17 0.46 1.62 0.00 -0.34 0.00 0.00 42.92 44.48 2q78 s ASP 19 CO 0.14 -1.23 2.18 1.05 0.68 0.00 0.00 175.17 177.99 2q78 h GLU 20 N 0.52 0.00 -1.92 2.11 -0.00 -1.96 -3.33 114.58 110.00 2q78 h GLU 20 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.02 2q78 h GLU 20 Cb 1.30 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.05 2q78 h GLU 20 CO 0.51 0.05 0.00 0.25 -0.00 0.00 0.00 179.01 179.82 2q78 n THR 21 N -3.87 0.56 0.00 -1.06 -2.24 -1.26 -4.97 114.28 101.43 2q78 n THR 21 Ca -0.03 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2q78 n THR 21 Cb 0.14 -1.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.34 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 1.59 -0.10 -2.48 2.28 3.14 -1.25 -5.06 118.33 116.44 2q78 n VAL 23 Ca 0.00 0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 60.95 2q78 n VAL 23 Cb 0.16 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.92 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 -2.05 2.69 -0.09 1.45 -0.00 0.42 -4.52 118.94 116.85 2q78 s TRP 24 Ca 0.00 0.80 0.13 0.00 -0.00 0.00 0.00 56.10 57.03 2q78 s TRP 24 Cb 0.00 -4.18 0.20 0.00 -0.00 0.00 0.00 33.47 29.49 2q78 s TRP 24 CO 0.00 -1.54 1.09 0.27 -0.00 0.00 0.00 176.95 176.77 2q78 n ASN 25 N 7.98 1.72 0.11 5.86 6.94 -1.26 -4.64 115.26 131.97 2q78 n ASN 25 Ca 0.14 -2.72 0.03 0.00 -0.02 0.00 0.00 54.58 52.01 2q78 n ASN 25 Cb 0.48 -0.34 0.41 0.00 -2.36 0.00 0.00 39.78 37.97 2q78 n ASN 25 CO 0.00 0.00 0.00 -0.33 -1.03 0.00 0.00 177.26 175.90 2q78 h GLU 26 N 0.00 0.28 -4.83 -3.83 5.08 -2.01 -3.41 114.58 105.86 2q78 h GLU 26 Ca 0.00 -0.05 -0.67 0.00 -1.00 0.00 0.00 59.36 57.63 2q78 h GLU 26 Cb 1.07 -0.04 -0.35 0.00 0.50 0.00 0.00 28.75 29.92 2q78 h GLU 26 CO 0.00 0.35 -0.76 0.34 -1.00 0.00 0.00 179.01 177.94 2q78 s ASP 27 N -6.86 4.62 0.15 1.42 -1.08 -1.26 -5.02 116.67 108.63 2q78 s ASP 27 Ca -0.06 -1.36 -0.28 0.00 -0.52 0.00 0.00 52.55 50.33 2q78 s ASP 27 Cb 0.16 -1.61 -0.02 0.00 -1.46 0.00 0.00 42.92 39.98 2q78 s ASP 27 CO 0.73 -0.22 1.58 0.40 0.52 0.00 0.00 175.17 178.18 2q78 h ILE 28 N 6.65 0.12 0.00 4.11 5.03 -1.97 -2.93 117.51 128.52 2q78 h ILE 28 Ca -0.20 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.54 2q78 h ILE 28 Cb 1.05 0.12 0.00 0.00 -3.03 0.00 0.00 36.82 34.96 2q78 h ILE 28 CO 0.49 0.00 0.00 -0.62 -0.68 0.00 0.00 178.15 177.34 2q78 n GLU 29 N -5.42 0.00 0.00 2.37 1.02 -1.26 -4.61 120.64 112.74 2q78 n GLU 29 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2q78 n GLU 29 Cb 0.35 -1.10 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 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 0.79 0.00 0.09 -4.62 4.77 -1.11 -4.90 117.00 112.02 2q78 n LEU 31 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.11 2q78 n LEU 31 Cb 0.00 0.00 0.45 0.00 -2.33 0.00 0.00 43.42 41.54 2q78 n LEU 31 CO 0.00 0.00 0.89 -0.90 -1.33 0.00 0.00 177.39 176.05 2q78 n ASP 32 N 1.37 0.65 0.25 -1.43 5.75 -1.26 -1.26 116.55 120.61 2q78 n ASP 32 Ca 0.00 0.57 0.16 0.00 -0.01 0.00 0.00 54.79 55.51 2q78 n ASP 32 Cb 0.00 -0.74 0.57 0.00 -1.03 0.00 0.00 41.12 39.92 2q78 n ASP 32 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2q78 h LEU 33 N 0.00 0.00 -2.25 -2.12 3.38 -1.96 -3.47 115.31 108.88 2q78 h LEU 33 Ca 0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 2q78 h LEU 33 Cb 0.64 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.25 2q78 h LEU 33 CO 0.00 0.00 -0.73 0.00 0.09 0.00 0.00 178.44 177.80 2q78 n HIS 34 N -2.96 -0.95 -2.05 1.13 1.44 -0.39 -4.62 115.22 106.83 2q78 n HIS 34 Ca 0.01 0.41 -0.39 0.00 -2.01 0.00 0.00 57.72 55.75 2q78 n HIS 34 Cb 0.33 -2.09 0.00 0.00 0.12 0.00 0.00 29.99 28.36 2q78 n HIS 34 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2q78 s LEU 35 N -6.34 4.10 0.16 2.39 1.43 -1.26 -0.02 118.68 119.13 2q78 s LEU 35 Ca 0.04 2.60 -0.30 0.00 -1.03 0.00 0.00 54.13 55.44 2q78 s LEU 35 Cb -0.02 -4.05 -0.08 0.00 0.03 0.00 0.00 46.19 42.07 2q78 s LEU 35 CO 0.74 -1.01 1.18 0.54 0.23 0.00 0.00 176.35 178.04 2q78 s VAL 36 N -1.34 3.70 0.50 -1.59 0.11 0.35 0.16 120.40 122.29 2q78 s VAL 36 Ca 0.61 1.39 -0.19 0.00 -2.93 0.00 0.00 61.98 60.86 2q78 s VAL 36 Cb -0.36 -3.89 -0.08 0.00 -1.53 0.00 0.00 36.38 30.52 2q78 s VAL 36 CO 0.45 0.20 1.02 0.00 -3.33 0.00 0.00 175.10 173.45 2q78 s ALA 37 N 0.12 2.89 0.07 1.54 0.00 -1.26 -4.66 121.76 120.46 2q78 s ALA 37 Ca 0.53 0.50 -0.24 0.00 0.00 0.00 0.00 51.96 52.75 2q78 s ALA 37 Cb -0.32 -3.22 -0.16 0.00 0.00 0.00 0.00 23.12 19.42 2q78 s ALA 37 CO 0.35 -0.32 1.63 1.15 0.00 0.00 0.00 175.76 178.57 2q78 h THR 38 N 1.37 1.01 -0.93 0.00 2.02 -1.97 -2.30 112.91 112.11 2q78 h THR 38 Ca -0.49 -0.21 0.08 0.00 0.77 0.00 0.00 66.41 66.56 2q78 h THR 38 Cb 1.21 1.15 -0.07 0.00 -1.74 0.00 0.00 68.15 68.70 2q78 h THR 38 CO 0.59 0.05 0.58 0.77 0.37 0.00 0.00 175.52 177.89 2q78 h SER 39 N -0.17 0.90 -0.58 4.18 4.64 -1.99 -0.70 113.55 119.82 2q78 h SER 39 Ca -0.01 0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.31 2q78 h SER 39 Cb 0.15 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.05 2q78 h SER 39 CO 0.01 0.55 0.25 0.00 -0.87 0.00 0.00 176.83 176.77 2q78 h ALA 40 N 1.45 0.76 -0.55 5.18 0.00 -1.89 0.23 119.26 124.45 2q78 h ALA 40 Ca 0.42 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 2q78 h ALA 40 Cb 0.26 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2q78 h ALA 40 CO -0.20 0.35 0.07 -0.07 0.00 0.00 0.00 179.25 179.40 2q78 h LEU 41 N 0.80 0.89 -0.46 0.00 3.38 -0.83 -0.56 115.31 118.54 2q78 h LEU 41 Ca 0.20 -0.27 0.08 0.00 0.09 0.00 0.00 57.88 57.97 2q78 h LEU 41 Cb 0.17 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.62 2q78 h LEU 41 CO -0.02 0.94 0.09 0.40 0.09 0.00 0.00 178.44 179.94 2q78 h ILE 42 N 0.81 0.75 -0.79 1.22 2.04 -0.79 0.18 117.51 120.93 2q78 h ILE 42 Ca 0.16 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.95 2q78 h ILE 42 Cb 0.44 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 2q78 h ILE 42 CO 0.01 0.04 0.50 1.23 0.00 0.00 0.00 178.15 179.94 2q78 h GLY 43 N 0.23 1.13 0.77 5.37 0.00 -0.50 0.02 103.07 110.09 2q78 h GLY 43 Ca 0.23 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 2q78 h GLY 43 CO -0.30 0.43 -0.01 -2.08 0.00 0.00 0.00 176.54 174.59 2q78 h VAL 44 N 1.08 1.15 -0.62 4.60 2.07 0.40 -1.16 116.25 123.77 2q78 h VAL 44 Ca 0.29 -0.53 0.02 0.00 0.82 0.00 0.00 66.70 67.30 2q78 h VAL 44 Cb -0.09 1.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 2q78 h VAL 44 CO -0.06 0.14 0.40 0.58 0.02 0.00 0.00 177.57 178.65 2q78 h VAL 45 N -0.26 1.12 -0.53 2.57 2.07 -0.34 -2.58 116.25 118.30 2q78 h VAL 45 Ca -0.00 -0.27 0.07 0.00 0.82 0.00 0.00 66.70 67.31 2q78 h VAL 45 Cb 0.24 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 30.20 2q78 h VAL 45 CO 0.00 0.15 0.21 0.45 0.02 0.00 0.00 177.57 178.40 2q78 h HIS 46 N 0.80 0.37 -0.27 1.57 3.86 -0.90 -2.53 115.15 118.05 2q78 h HIS 46 Ca 0.24 0.03 0.06 0.00 -1.16 0.00 0.00 60.37 59.54 2q78 h HIS 46 Cb -0.04 -0.09 -0.06 0.00 1.06 0.00 0.00 27.41 28.28 2q78 h HIS 46 CO -0.04 0.13 -0.14 0.00 0.86 0.00 0.00 177.93 178.73 2q78 h ARG 47 N 0.40 -0.11 -1.00 2.45 3.08 -0.83 -1.94 114.38 116.44 2q78 h ARG 47 Ca 0.25 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.39 2q78 h ARG 47 Cb 0.26 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.26 2q78 h ARG 47 CO -0.24 -0.07 0.64 0.28 -1.07 0.00 0.00 179.97 179.51 2q78 h VAL 48 N -0.11 1.04 -0.34 2.04 2.07 -1.17 0.10 116.25 119.89 2q78 h VAL 48 Ca 0.15 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 2q78 h VAL 48 Cb 0.33 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 29.90 2q78 h VAL 48 CO -0.34 0.21 0.02 0.77 0.02 0.00 0.00 177.57 178.24 2q78 h SER 49 N 1.13 0.48 -0.16 0.57 4.64 -1.03 -1.51 113.55 117.68 2q78 h SER 49 Ca 0.45 -0.08 -0.18 0.00 -0.47 0.00 0.00 61.79 61.50 2q78 h SER 49 Cb 0.25 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2q78 h SER 49 CO -0.20 0.54 -0.59 0.22 -0.87 0.00 0.00 176.83 175.93 2q78 h TYR 50 N 0.50 0.96 -0.60 4.77 5.03 -0.16 -1.12 116.97 126.35 2q78 h TYR 50 Ca 0.11 -0.36 0.04 0.00 2.58 0.00 0.00 58.73 61.10 2q78 h TYR 50 Cb 0.29 -0.18 -0.04 0.00 1.55 0.00 0.00 36.73 38.35 2q78 h TYR 50 CO 0.01 1.16 0.36 1.49 -1.32 0.00 0.00 178.16 179.85 2q78 h GLU 51 N 0.57 0.67 -0.40 1.82 4.57 -0.74 0.65 114.58 121.72 2q78 h GLU 51 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2q78 h GLU 51 Cb 1.18 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.60 2q78 h GLU 51 CO 0.12 0.44 0.26 1.25 -1.18 0.00 0.00 179.01 179.90 2q78 h LEU 52 N 0.69 0.46 -0.42 1.64 6.46 -1.08 -3.07 115.31 119.99 2q78 h LEU 52 Ca 0.25 -0.02 -0.15 0.00 -0.12 0.00 0.00 57.88 57.84 2q78 h LEU 52 Cb 0.07 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 39.88 2q78 h LEU 52 CO -0.13 0.34 -0.35 -0.07 -0.62 0.00 0.00 178.44 177.62 2q78 h LEU 53 N 0.54 1.01 -1.38 2.25 3.38 -0.81 -3.05 115.31 117.24 2q78 h LEU 53 Ca 0.15 -0.45 0.24 0.00 0.09 0.00 0.00 57.88 57.91 2q78 h LEU 53 Cb -0.05 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 40.33 2q78 h LEU 53 CO -0.03 1.25 0.65 0.77 0.09 0.00 0.00 178.44 181.17 2q78 h SER 54 N 0.79 0.46 0.13 -0.43 4.64 -0.78 0.11 113.55 118.46 2q78 h SER 54 Ca 0.07 0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.44 2q78 h SER 54 Cb 0.94 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2q78 h SER 54 CO 0.09 0.12 -0.11 0.03 -0.87 0.00 0.00 176.83 176.10 2q78 h ARG 55 N 0.42 0.00 0.00 4.77 3.08 -1.52 -3.31 114.38 117.82 2q78 h ARG 55 Ca 0.56 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.61 2q78 h ARG 55 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.42 2q78 h ARG 55 CO -0.26 0.11 -0.67 0.66 -1.07 0.00 0.00 179.97 178.73 2q78 n TYR 56 N -4.27 0.00 -1.80 3.04 4.01 0.25 -5.04 117.16 113.35 2q78 n TYR 56 Ca -0.03 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.39 2q78 n TYR 56 Cb 0.18 -0.04 0.03 0.00 -0.31 0.00 0.00 39.34 39.21 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 -2.72 3.34 0.99 7.72 1.43 -0.54 -5.04 118.68 123.86 2q78 s LEU 57 Ca -0.00 1.78 -0.12 0.00 -1.03 0.00 0.00 54.13 54.77 2q78 s LEU 57 Cb 0.02 -4.52 0.18 0.00 0.03 0.00 0.00 46.19 41.90 2q78 s LEU 57 CO 0.14 -1.38 1.08 -2.84 0.23 0.00 0.00 176.35 173.59 2q78 s PRO 58 N -4.43 0.48 0.50 1.29 0.02 -1.26 -4.93 135.00 126.68 2q78 s PRO 58 Ca 0.62 1.02 0.31 0.00 0.02 0.00 0.00 61.00 62.97 2q78 s PRO 58 Cb -0.16 -1.70 1.16 0.00 0.02 0.00 0.00 34.50 33.81 2q78 s PRO 58 CO 0.44 -2.83 1.90 -0.91 -0.33 0.00 0.00 177.00 175.28 2q78 h ASN 59 N -1.98 0.00 0.74 2.53 2.35 -1.96 -2.34 115.58 114.91 2q78 h ASN 59 Ca -0.52 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.23 2q78 h ASN 59 Cb 1.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.67 2q78 h ASN 59 CO 0.50 0.00 -0.34 -0.90 -1.65 0.00 0.00 177.43 175.04 2q78 n ASP 60 N -3.01 0.38 -4.89 5.81 5.75 -1.26 -4.93 116.55 114.40 2q78 n ASP 60 Ca 0.01 0.06 -0.31 0.00 -0.01 0.00 0.00 54.79 54.55 2q78 n ASP 60 Cb 0.34 -0.03 -0.04 0.00 -1.03 0.00 0.00 41.12 40.35 2q78 n ASP 60 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 2q78 s TYR 61 N -3.02 3.46 0.33 2.11 1.51 -0.88 -0.89 117.35 119.96 2q78 s TYR 61 Ca 0.11 0.21 0.04 0.00 -1.01 0.00 0.00 57.07 56.42 2q78 s TYR 61 Cb 0.17 -1.73 -0.03 0.00 -0.11 0.00 0.00 41.96 40.26 2q78 s TYR 61 CO 0.65 0.57 0.18 -0.08 -1.11 0.00 0.00 175.55 175.76 2q78 s THR 62 N -1.51 0.31 -0.05 -0.71 -1.32 0.38 -4.79 115.64 107.95 2q78 s THR 62 Ca 0.34 -2.00 -0.00 0.00 -1.21 0.00 0.00 61.69 58.82 2q78 s THR 62 Cb -0.13 -2.47 0.03 0.00 -1.51 0.00 0.00 72.50 68.42 2q78 s THR 62 CO 0.27 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.68 2q78 s ALA 63 N -3.49 0.47 0.20 11.08 0.00 -1.26 -0.63 121.76 128.12 2q78 s ALA 63 Ca 0.34 0.05 0.09 0.00 0.00 0.00 0.00 51.96 52.44 2q78 s ALA 63 Cb 0.04 -0.51 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 2q78 s ALA 63 CO 0.19 -0.24 -0.06 0.14 0.00 0.00 0.00 175.76 175.79 2q78 s VAL 64 N 1.46 3.34 -0.12 0.00 -7.23 -0.65 -4.93 120.40 112.27 2q78 s VAL 64 Ca -0.03 -1.67 -0.22 0.00 -1.81 0.00 0.00 61.98 58.24 2q78 s VAL 64 Cb -0.13 -2.69 -0.03 0.00 0.56 0.00 0.00 36.38 34.09 2q78 s VAL 64 CO -0.03 -0.17 0.66 -0.69 -0.31 0.00 0.00 175.10 174.57 2q78 s VAL 65 N -1.84 5.05 -0.15 1.32 1.01 -1.26 -0.33 120.40 124.19 2q78 s VAL 65 Ca 0.27 1.32 0.12 0.00 0.00 0.00 0.00 61.98 63.68 2q78 s VAL 65 Cb -0.08 -3.99 -0.17 0.00 0.00 0.00 0.00 36.38 32.14 2q78 s VAL 65 CO 0.17 0.20 0.32 1.33 0.00 0.00 0.00 175.10 177.12 2q78 n VAL 66 N 4.10 0.00 -3.67 2.92 0.24 -0.52 -4.93 118.33 116.47 2q78 n VAL 66 Ca -0.02 -0.26 -0.11 0.00 -2.04 0.00 0.00 64.34 61.92 2q78 n VAL 66 Cb 0.51 0.43 -0.08 0.00 -1.47 0.00 0.00 33.84 33.22 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 -2.63 0.63 -0.10 7.34 2.12 -1.19 -5.00 118.70 119.87 2q78 s GLU 67 Ca -0.02 0.96 -0.12 0.00 0.36 0.00 0.00 54.97 56.15 2q78 s GLU 67 Cb 0.08 0.18 0.03 0.00 0.26 0.00 0.00 34.13 34.68 2q78 s GLU 67 CO 0.49 -0.12 0.32 -0.08 -0.54 0.00 0.00 175.26 175.32 2q78 s THR 68 N 1.04 0.02 -0.04 -1.70 -1.32 -1.26 0.53 115.64 112.90 2q78 s THR 68 Ca -0.06 -0.13 0.01 0.00 -1.21 0.00 0.00 61.69 60.31 2q78 s THR 68 Cb -0.05 -0.50 0.02 0.00 -1.51 0.00 0.00 72.50 70.45 2q78 s THR 68 CO -0.10 -0.07 -0.05 -0.22 -2.21 0.00 0.00 174.62 171.98 2q78 s LEU 69 N -0.21 1.45 0.02 9.08 2.96 0.25 -4.97 118.68 127.25 2q78 s LEU 69 Ca -0.03 -0.12 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 2q78 s LEU 69 Cb -0.03 -0.42 -0.02 0.00 0.50 0.00 0.00 46.19 46.22 2q78 s LEU 69 CO 0.01 -0.03 -0.04 0.00 -1.32 0.00 0.00 176.35 174.97 2q78 s ALA 70 N 0.72 0.25 -0.19 5.97 0.00 -1.26 -0.41 121.76 126.84 2q78 s ALA 70 Ca -0.10 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.37 2q78 s ALA 70 Cb -0.13 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.08 2q78 s ALA 70 CO 0.00 -0.07 -0.17 1.03 0.00 0.00 0.00 175.76 176.55 2q78 s ARG 71 N -1.10 2.97 -0.57 0.00 0.52 -0.41 -5.01 118.95 115.35 2q78 s ARG 71 Ca -0.10 -0.85 -0.15 0.00 -0.52 0.00 0.00 55.73 54.10 2q78 s ARG 71 Cb -0.07 -2.65 0.14 0.00 0.52 0.00 0.00 34.95 32.88 2q78 s ARG 71 CO -0.00 -0.24 0.52 -1.58 0.02 0.00 0.00 175.30 174.01 2q78 s HIS 72 N 1.30 3.32 -0.23 -0.53 2.46 -1.26 -1.84 115.29 118.50 2q78 s HIS 72 Ca 0.04 -1.40 0.22 0.00 0.47 0.00 0.00 55.06 54.39 2q78 s HIS 72 Cb -0.14 -3.78 -0.28 0.00 -0.13 0.00 0.00 32.58 28.24 2q78 s HIS 72 CO -0.11 -1.01 0.61 1.33 -2.47 0.00 0.00 174.74 173.08 2q78 n VAL 73 N 5.09 0.04 -3.82 0.89 0.24 -0.32 -4.91 118.33 115.54 2q78 n VAL 73 Ca -0.11 -0.41 -0.13 0.00 -2.04 0.00 0.00 64.34 61.66 2q78 n VAL 73 Cb 0.41 0.16 -0.14 0.00 -1.47 0.00 0.00 33.84 32.79 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 -3.41 0.03 0.21 7.34 2.47 -1.03 -5.03 119.74 120.32 2q78 s LYS 74 Ca -0.04 0.13 -0.29 0.00 -1.56 0.00 0.00 55.97 54.20 2q78 s LYS 74 Cb 0.14 -0.07 -0.08 0.00 -1.46 0.00 0.00 37.83 36.35 2q78 s LYS 74 CO 0.89 -0.07 0.92 0.00 0.16 0.00 0.00 175.35 177.26 2q78 s ALA 75 N 0.43 3.34 -0.01 3.13 0.00 -1.26 -4.77 121.76 122.62 2q78 s ALA 75 Ca -0.03 0.58 0.01 0.00 0.00 0.00 0.00 51.96 52.52 2q78 s ALA 75 Cb -0.05 -3.19 -0.00 0.00 0.00 0.00 0.00 23.12 19.88 2q78 s ALA 75 CO -0.01 0.19 -0.05 0.54 0.00 0.00 0.00 175.76 176.43 2q78 s VAL 76 N -1.02 0.39 0.51 0.00 0.11 -1.26 -5.07 120.40 114.05 2q78 s VAL 76 Ca 0.41 -0.20 -0.20 0.00 -2.93 0.00 0.00 61.98 59.06 2q78 s VAL 76 Cb -0.25 -0.34 -0.07 0.00 -1.53 0.00 0.00 36.38 34.19 2q78 s VAL 76 CO 0.31 0.12 1.11 -2.16 -3.33 0.00 0.00 175.10 171.15 2q78 s PRO 77 N -0.03 3.55 0.89 1.54 0.04 -1.26 -0.50 135.00 139.23 2q78 s PRO 77 Ca 0.01 1.59 -0.12 0.00 0.04 0.00 0.00 61.00 62.52 2q78 s PRO 77 Cb -0.03 -2.12 0.13 0.00 0.04 0.00 0.00 34.50 32.52 2q78 s PRO 77 CO -0.00 -0.68 1.09 0.95 0.04 0.00 0.00 177.00 178.40 2q78 s THR 78 N -1.76 2.67 0.00 1.26 -4.23 0.97 -3.79 115.64 110.76 2q78 s THR 78 Ca 0.69 0.22 0.00 0.00 -1.18 0.00 0.00 61.69 61.42 2q78 s THR 78 Cb -0.23 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 70.89 2q78 s THR 78 CO 0.27 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 2q78 n GLY 79 N -1.18 0.53 3.54 3.99 0.00 0.54 -4.99 105.19 107.62 2q78 n GLY 79 Ca 0.07 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 2q78 n GLY 79 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2q78 s THR 80 N -2.00 1.10 0.13 2.61 -1.32 -1.25 -4.98 115.64 109.93 2q78 s THR 80 Ca 0.00 -2.00 0.09 0.00 -1.21 0.00 0.00 61.69 58.57 2q78 s THR 80 Cb 0.00 -2.57 -0.04 0.00 -1.51 0.00 0.00 72.50 68.38 2q78 s THR 80 CO 0.00 0.00 -0.17 -0.60 -2.21 0.00 0.00 174.62 171.64 2q78 s ARG 81 N -3.81 1.79 0.04 7.08 3.52 -1.26 -0.60 118.95 125.71 2q78 s ARG 81 Ca 0.27 -1.22 0.02 0.00 -0.13 0.00 0.00 55.73 54.68 2q78 s ARG 81 Cb 0.06 -2.10 -0.02 0.00 -1.56 0.00 0.00 34.95 31.33 2q78 s ARG 81 CO 0.13 0.47 -0.08 0.14 -0.81 0.00 0.00 175.30 175.15 2q78 s VAL 82 N -1.25 0.55 -0.34 7.11 -7.23 -0.58 -4.76 120.40 113.89 2q78 s VAL 82 Ca 0.19 -0.96 -0.25 0.00 -1.81 0.00 0.00 61.98 59.15 2q78 s VAL 82 Cb -0.10 -0.59 0.01 0.00 0.56 0.00 0.00 36.38 36.26 2q78 s VAL 82 CO 0.11 -0.30 0.85 0.00 -0.31 0.00 0.00 175.10 175.45 2q78 s ALA 83 N -1.19 3.47 -0.29 1.32 0.00 -1.26 -1.08 121.76 122.72 2q78 s ALA 83 Ca -0.08 -0.45 -0.06 0.00 0.00 0.00 0.00 51.96 51.37 2q78 s ALA 83 Cb -0.09 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.63 2q78 s ALA 83 CO 0.00 -1.42 0.06 0.08 0.00 0.00 0.00 175.76 174.48 2q78 s VAL 84 N 3.21 3.72 -0.06 0.00 1.01 -0.40 -4.15 120.40 123.73 2q78 s VAL 84 Ca 0.35 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.53 2q78 s VAL 84 Cb -0.13 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 2q78 s VAL 84 CO 0.16 0.06 -0.16 -0.83 0.00 0.00 0.00 175.10 174.33 2q78 s GLY 85 N 1.45 1.50 0.06 4.51 0.00 -0.29 -1.01 107.32 113.55 2q78 s GLY 85 Ca 0.01 -0.98 0.04 0.00 0.00 0.00 0.00 44.72 43.79 2q78 s GLY 85 CO 0.01 -0.71 -0.11 -1.34 0.00 0.00 0.00 173.10 170.95 2q78 s VAL 86 N -0.57 0.85 0.02 1.40 -7.23 0.28 -1.16 120.40 113.98 2q78 s VAL 86 Ca 0.08 -1.25 -0.13 0.00 -1.81 0.00 0.00 61.98 58.87 2q78 s VAL 86 Cb -0.11 -0.91 0.02 0.00 0.56 0.00 0.00 36.38 35.93 2q78 s VAL 86 CO 0.01 -0.33 0.28 0.00 -0.31 0.00 0.00 175.10 174.75 2q78 s ARG 87 N -1.80 0.72 -0.32 4.82 1.70 -0.53 -1.11 118.95 122.43 2q78 s ARG 87 Ca -0.04 -0.40 -0.25 0.00 -0.47 0.00 0.00 55.73 54.56 2q78 s ARG 87 Cb -0.09 0.31 0.01 0.00 -0.57 0.00 0.00 34.95 34.61 2q78 s ARG 87 CO 0.01 -0.21 0.89 0.08 -1.08 0.00 0.00 175.30 174.99 2q78 s VAL 88 N -2.03 4.69 -1.55 4.99 1.01 -0.08 -1.52 120.40 125.92 2q78 s VAL 88 Ca -0.09 1.35 0.18 0.00 0.00 0.00 0.00 61.98 63.42 2q78 s VAL 88 Cb -0.03 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 2q78 s VAL 88 CO -0.00 -0.35 0.91 1.33 0.00 0.00 0.00 175.10 176.99 2q78 n VAL 89 N 5.67 0.00 -3.63 2.92 0.24 -0.21 -0.81 118.33 122.51 2q78 n VAL 89 Ca 0.06 -0.27 -0.04 0.00 -2.04 0.00 0.00 64.34 62.05 2q78 n VAL 89 Cb 0.48 1.18 -0.05 0.00 -1.47 0.00 0.00 33.84 33.98 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 -2.21 0.01 -0.03 7.63 0.00 -1.18 -4.95 107.32 106.59 2q78 s GLY 90 Ca 0.14 2.68 0.01 0.00 0.00 0.00 0.00 44.72 47.55 2q78 s GLY 90 CO 0.51 1.18 -0.03 0.14 0.00 0.00 0.00 173.10 174.90 2q78 s VAL 91 N -0.92 0.43 -0.19 1.40 1.01 -1.26 -0.42 120.40 120.45 2q78 s VAL 91 Ca 0.06 -0.09 -0.04 0.00 0.00 0.00 0.00 61.98 61.91 2q78 s VAL 91 Cb -0.01 -0.46 0.07 0.00 0.00 0.00 0.00 36.38 35.98 2q78 s VAL 91 CO -0.06 0.19 0.09 -0.69 0.00 0.00 0.00 175.10 174.62 2q78 s VAL 92 N 0.78 0.03 0.00 2.92 1.01 -0.37 -4.94 120.40 119.82 2q78 s VAL 92 Ca -0.10 -0.32 0.00 0.00 0.00 0.00 0.00 61.98 61.56 2q78 s VAL 92 Cb -0.13 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.54 2q78 s VAL 92 CO -0.00 -0.33 0.00 0.61 0.00 0.00 0.00 175.10 175.37 2q78 n GLY 93 N 5.23 3.57 1.22 4.51 0.00 -1.26 -1.38 105.19 117.08 2q78 n GLY 93 Ca -0.07 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 45.99 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 7.30 3.54 -4.67 1.61 6.94 -1.26 -4.45 115.26 124.28 2q78 n ASN 94 Ca 0.00 -1.99 -0.39 0.00 -0.02 0.00 0.00 54.58 52.18 2q78 n ASN 94 Cb 0.00 -0.42 -0.07 0.00 -2.36 0.00 0.00 39.78 36.93 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 -1.16 4.19 -0.21 -3.83 1.81 -0.48 -1.16 118.95 118.11 2q78 s ARG 95 Ca 0.44 0.33 0.02 0.00 -1.72 0.00 0.00 55.73 54.80 2q78 s ARG 95 Cb 0.23 -3.55 0.04 0.00 -0.45 0.00 0.00 34.95 31.22 2q78 s ARG 95 CO 0.31 -0.10 -0.14 0.08 -0.68 0.00 0.00 175.30 174.77 2q78 s VAL 96 N 1.48 1.98 -0.13 3.52 1.01 0.48 -1.24 120.40 127.51 2q78 s VAL 96 Ca 0.22 -1.19 -0.18 0.00 0.00 0.00 0.00 61.98 60.83 2q78 s VAL 96 Cb -0.15 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 2q78 s VAL 96 CO 0.09 0.25 0.48 -0.75 0.00 0.00 0.00 175.10 175.17 2q78 s LYS 97 N 1.25 4.32 0.03 2.72 2.20 0.44 -1.08 119.74 129.62 2q78 s LYS 97 Ca -0.01 0.44 0.07 0.00 -0.36 0.00 0.00 55.97 56.10 2q78 s LYS 97 Cb -0.16 -3.45 -0.03 0.00 -1.51 0.00 0.00 37.83 32.67 2q78 s LYS 97 CO -0.09 0.11 -0.19 -0.06 -0.36 0.00 0.00 175.35 174.76 2q78 s PHE 98 N 0.77 2.54 -0.05 4.03 0.40 0.35 -1.05 117.98 124.96 2q78 s PHE 98 Ca 0.25 -0.27 -0.05 0.00 -0.60 0.00 0.00 56.93 56.26 2q78 s PHE 98 Cb -0.15 -1.47 -0.04 0.00 0.51 0.00 0.00 43.02 41.87 2q78 s PHE 98 CO 0.10 0.22 0.18 1.03 0.70 0.00 0.00 175.22 177.45 2q78 s ARG 99 N -1.34 3.46 0.03 0.44 0.52 -0.58 -1.42 118.95 120.07 2q78 s ARG 99 Ca 0.14 -0.21 0.00 0.00 -0.52 0.00 0.00 55.73 55.14 2q78 s ARG 99 Cb -0.10 -3.13 -0.03 0.00 0.52 0.00 0.00 34.95 32.21 2q78 s ARG 99 CO 0.04 0.71 -0.04 0.20 0.02 0.00 0.00 175.30 176.24 2q78 s GLY 100 N -1.55 0.35 -0.14 -3.53 0.00 0.66 -1.45 107.32 101.66 2q78 s GLY 100 Ca 0.22 -0.77 -0.12 0.00 0.00 0.00 0.00 44.72 44.06 2q78 s GLY 100 CO 0.13 -0.84 0.37 -1.50 0.00 0.00 0.00 173.10 171.25 2q78 s ILE 101 N -1.98 -0.01 0.35 0.90 2.07 -0.31 -0.15 121.20 122.08 2q78 s ILE 101 Ca -0.10 0.03 0.09 0.00 -1.41 0.00 0.00 60.65 59.26 2q78 s ILE 101 Cb -0.06 -0.52 -0.07 0.00 0.13 0.00 0.00 42.46 41.94 2q78 s ILE 101 CO -0.03 0.01 -0.07 -0.69 -1.91 0.00 0.00 174.94 172.26 2q78 s VAL 102 N 0.49 2.14 -0.33 4.00 1.01 -0.07 -1.13 120.40 126.51 2q78 s VAL 102 Ca -0.02 -2.16 -0.04 0.00 0.00 0.00 0.00 61.98 59.76 2q78 s VAL 102 Cb -0.04 -2.71 0.19 0.00 0.00 0.00 0.00 36.38 33.82 2q78 s VAL 102 CO -0.03 -0.16 0.89 -0.55 0.00 0.00 0.00 175.10 175.25 2q78 s SER 104 N -3.62 -0.80 1.33 3.32 0.15 0.13 -0.75 113.70 113.47 2q78 s SER 104 Ca 0.33 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.75 2q78 s SER 104 Cb 0.04 1.18 0.00 0.00 -1.71 0.00 0.00 66.02 65.53 2q78 s SER 104 CO 0.17 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.11 2q78 n GLY 105 N 4.40 2.65 1.06 9.45 0.00 -1.26 -1.97 105.19 119.51 2q78 n GLY 105 Ca 0.08 -0.31 0.12 0.00 0.00 0.00 0.00 46.02 45.90 2q78 n GLY 105 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2q78 n ASP 106 N 8.47 3.16 -4.71 1.61 8.00 -1.26 -4.93 116.55 126.89 2q78 n ASP 106 Ca 0.00 -1.95 -0.39 0.00 0.71 0.00 0.00 54.79 53.16 2q78 n ASP 106 Cb 0.00 -0.23 -0.05 0.00 -0.02 0.00 0.00 41.12 40.82 2q78 n ASP 106 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2q78 s GLU 107 N -1.55 4.36 -0.34 -1.24 0.41 -0.83 -5.05 118.70 114.46 2q78 s GLU 107 Ca 0.38 0.64 -0.29 0.00 -0.41 0.00 0.00 54.97 55.29 2q78 s GLU 107 Cb 0.22 -3.46 0.01 0.00 -1.78 0.00 0.00 34.13 29.12 2q78 s GLU 107 CO 0.31 0.06 1.19 0.21 -0.49 0.00 0.00 175.26 176.53 2q78 s LYS 108 N 0.89 3.94 -0.13 1.61 2.20 -1.26 0.22 119.74 127.22 2q78 s LYS 108 Ca 0.31 1.07 -0.16 0.00 -0.36 0.00 0.00 55.97 56.82 2q78 s LYS 108 Cb -0.16 -3.83 -0.25 0.00 -1.51 0.00 0.00 37.83 32.08 2q78 s LYS 108 CO 0.13 -1.08 0.48 0.82 -0.36 0.00 0.00 175.35 175.34 2q78 h ILE 109 N 5.91 1.00 -2.39 5.43 1.08 -1.24 -3.38 117.51 123.91 2q78 h ILE 109 Ca -0.23 -2.35 -0.08 0.00 -0.39 0.00 0.00 64.86 61.81 2q78 h ILE 109 Cb 1.08 2.62 -0.23 0.00 -3.07 0.00 0.00 36.82 37.22 2q78 h ILE 109 CO 1.05 0.65 -0.08 -0.22 -0.69 0.00 0.00 178.15 178.86 2q78 s LEU 110 N -7.58 -0.17 0.01 1.44 0.20 -1.14 -1.17 118.68 110.27 2q78 s LEU 110 Ca -0.22 1.12 0.08 0.00 0.69 0.00 0.00 54.13 55.80 2q78 s LEU 110 Cb 0.05 1.89 -0.02 0.00 -0.43 0.00 0.00 46.19 47.67 2q78 s LEU 110 CO 0.73 -0.20 -0.24 -1.83 -0.29 0.00 0.00 176.35 174.53 2q78 s GLU 111 N 0.46 1.77 0.09 1.98 -1.05 -0.77 -0.89 118.70 120.29 2q78 s GLU 111 Ca -0.01 -0.93 0.03 0.00 -0.15 0.00 0.00 54.97 53.91 2q78 s GLU 111 Cb -0.04 -1.81 -0.03 0.00 -0.44 0.00 0.00 34.13 31.81 2q78 s GLU 111 CO -0.01 0.48 -0.10 0.00 0.95 0.00 0.00 175.26 176.58 2q78 s ALA 112 N -0.67 1.01 -0.03 -0.84 0.00 0.79 -1.29 121.76 120.74 2q78 s ALA 112 Ca 0.09 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.94 2q78 s ALA 112 Cb -0.09 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.09 2q78 s ALA 112 CO 0.00 -0.04 0.01 -2.00 0.00 0.00 0.00 175.76 173.73 2q78 s GLU 113 N -2.62 0.20 0.09 0.00 2.12 0.46 -0.24 118.70 118.70 2q78 s GLU 113 Ca 0.03 0.10 -0.26 0.00 0.36 0.00 0.00 54.97 55.21 2q78 s GLU 113 Cb -0.04 -0.41 0.07 0.00 0.26 0.00 0.00 34.13 34.02 2q78 s GLU 113 CO -0.00 -0.14 0.66 -0.59 -0.54 0.00 0.00 175.26 174.64 2q78 s PHE 114 N 1.00 -0.55 -0.05 5.30 -0.71 -0.51 0.84 117.98 123.31 2q78 s PHE 114 Ca -0.10 0.52 0.05 0.00 -1.04 0.00 0.00 56.93 56.37 2q78 s PHE 114 Cb -0.13 0.52 -0.00 0.00 -1.21 0.00 0.00 43.02 42.19 2q78 s PHE 114 CO -0.02 -0.75 -0.20 0.08 -1.34 0.00 0.00 175.22 172.99 2q78 s VAL 115 N -2.99 1.62 -0.05 -2.49 1.01 0.19 -0.50 120.40 117.19 2q78 s VAL 115 Ca -0.02 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.18 2q78 s VAL 115 Cb -0.01 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 2q78 s VAL 115 CO -0.07 0.46 -0.14 -0.13 0.00 0.00 0.00 175.10 175.23 2q78 s ARG 116 N 0.01 2.53 -0.20 2.72 0.52 -0.24 -1.44 118.95 122.85 2q78 s ARG 116 Ca -0.05 -0.69 -0.11 0.00 -0.52 0.00 0.00 55.73 54.37 2q78 s ARG 116 Cb -0.12 -2.39 -0.05 0.00 0.52 0.00 0.00 34.95 32.90 2q78 s ARG 116 CO 0.03 0.62 0.17 0.00 0.02 0.00 0.00 175.30 176.14 2q78 s ALA 117 N -0.72 3.66 -0.20 2.13 0.00 0.55 -0.39 121.76 126.78 2q78 s ALA 117 Ca 0.11 -0.66 -0.22 0.00 0.00 0.00 0.00 51.96 51.19 2q78 s ALA 117 Cb -0.11 -2.23 -0.02 0.00 0.00 0.00 0.00 23.12 20.76 2q78 s ALA 117 CO 0.01 0.11 0.69 0.42 0.00 0.00 0.00 175.76 176.98 2q78 s ILE 118 N 0.45 4.97 0.02 0.00 1.01 -0.31 -1.64 121.20 125.71 2q78 s ILE 118 Ca 0.10 1.30 0.01 0.00 0.00 0.00 0.00 60.65 62.05 2q78 s ILE 118 Cb -0.12 -3.99 -0.01 0.00 0.01 0.00 0.00 42.46 38.35 2q78 s ILE 118 CO -0.00 0.07 -0.04 0.68 0.00 0.00 0.00 174.94 175.65 2q78 s VAL 119 N 2.10 0.22 0.30 2.92 -7.23 0.20 -4.87 120.40 114.04 2q78 s VAL 119 Ca 0.31 -0.58 -0.29 0.00 -1.81 0.00 0.00 61.98 59.61 2q78 s VAL 119 Cb -0.16 -0.28 -0.10 0.00 0.56 0.00 0.00 36.38 36.40 2q78 s VAL 119 CO 0.10 -0.23 1.42 -2.16 -0.31 0.00 0.00 175.10 173.92 2q78 s PRO 120 N -0.86 4.25 0.31 4.82 0.04 -1.26 -0.47 135.00 141.82 2q78 s PRO 120 Ca -0.07 2.36 0.04 0.00 0.04 0.00 0.00 61.00 63.37 2q78 s PRO 120 Cb -0.06 -3.06 0.65 0.00 0.04 0.00 0.00 34.50 32.07 2q78 s PRO 120 CO -0.00 -0.39 1.84 0.00 0.04 0.00 0.00 177.00 178.48 2q78 h ARG 121 N 4.09 0.86 -0.51 4.56 3.08 -1.33 -2.02 114.38 123.12 2q78 h ARG 121 Ca -0.48 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.45 2q78 h ARG 121 Cb 1.22 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 31.06 2q78 h ARG 121 CO 0.71 0.57 0.04 1.05 -1.07 0.00 0.00 179.97 181.28 2q78 h GLU 122 N 0.89 0.82 -0.35 0.04 4.11 -1.91 -0.65 114.58 117.52 2q78 h GLU 122 Ca 0.49 -0.20 0.02 0.00 0.07 0.00 0.00 59.36 59.73 2q78 h GLU 122 Cb 0.59 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 2q78 h GLU 122 CO -0.26 0.79 0.19 -0.22 0.07 0.00 0.00 179.01 179.59 2q78 h LYS 123 N 0.77 0.39 -0.33 1.06 1.63 -1.76 0.67 116.57 119.01 2q78 h LYS 123 Ca 0.16 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.91 2q78 h LYS 123 Cb 0.40 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.93 2q78 h LYS 123 CO 0.01 0.26 0.10 1.25 -3.45 0.00 0.00 179.45 177.62 2q78 h LEU 124 N 0.40 0.42 0.21 5.20 5.85 -1.11 0.45 115.31 126.73 2q78 h LEU 124 Ca 0.14 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 2q78 h LEU 124 Cb 0.02 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.94 2q78 h LEU 124 CO -0.08 0.42 -0.10 0.03 -0.34 0.00 0.00 178.44 178.37 2q78 h ARG 125 N 0.46 -0.27 -0.92 1.25 3.08 -0.63 -2.81 114.38 114.54 2q78 h ARG 125 Ca 0.11 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.26 2q78 h ARG 125 Cb 0.15 0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.20 2q78 h ARG 125 CO -0.01 0.11 0.59 0.00 -1.07 0.00 0.00 179.97 179.60 2q78 h ARG 126 N -0.76 0.97 0.44 0.04 3.08 -0.67 -0.99 114.38 116.49 2q78 h ARG 126 Ca -0.03 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 2q78 h ARG 126 Cb 0.51 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 2q78 h ARG 126 CO 0.05 0.64 -0.29 -0.07 -1.07 0.00 0.00 179.97 179.23 2q78 h LEU 127 N 1.00 -0.75 -2.58 3.04 3.38 -0.96 -2.98 115.31 115.46 2q78 h LEU 127 Ca 0.41 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.33 2q78 h LEU 127 Cb 0.28 0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.20 2q78 h LEU 127 CO -0.17 -0.43 0.12 0.00 0.09 0.00 0.00 178.44 178.05 2q78 n ALA 128 N -2.49 3.42 -2.59 1.53 0.00 -1.06 -2.90 120.51 116.42 2q78 n ALA 128 Ca -0.08 -0.49 -0.02 0.00 0.00 0.00 0.00 53.44 52.85 2q78 n ALA 128 Cb 0.29 -1.09 0.05 0.00 0.00 0.00 0.00 19.45 18.70 2q78 n ALA 128 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2q78 n LEU 129 N 0.51 1.89 -0.76 0.00 -0.00 -0.39 -4.98 117.00 113.26 2q78 n LEU 129 Ca 0.10 -3.02 0.13 0.00 -0.00 0.00 0.00 56.01 53.22 2q78 n LEU 129 Cb 0.64 0.21 0.28 0.00 -0.00 0.00 0.00 43.42 44.54 2q78 n LEU 129 CO 0.11 1.05 0.73 -0.62 -0.00 0.00 0.00 177.39 178.65