#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ds4 s SER 2 N 0.00 -0.63 0.16 1.61 0.15 -1.26 -5.18 113.70 108.55 2ds4 s SER 2 Ca 0.00 0.99 0.07 0.00 0.70 0.00 0.00 55.95 57.72 2ds4 s SER 2 Cb 0.00 1.33 -0.04 0.00 -1.71 0.00 0.00 66.02 65.60 2ds4 s SER 2 CO 0.00 -0.15 -0.16 -0.55 1.20 0.00 0.00 173.24 173.58 2ds4 s SER 3 N 1.56 2.42 0.00 5.45 0.15 -1.26 -5.15 113.70 116.88 2ds4 s SER 3 Ca -0.09 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 55.67 2ds4 s SER 3 Cb -0.04 -0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.15 2ds4 s SER 3 CO -0.16 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.77 2ds4 n GLY 4 N 0.15 1.27 3.61 9.45 0.00 -1.26 -5.18 105.19 113.23 2ds4 n GLY 4 Ca -0.12 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 2ds4 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ds4 s SER 5 N 0.00 3.84 -0.12 1.61 1.04 -1.26 -4.92 113.70 113.88 2ds4 s SER 5 Ca 0.00 -1.35 -0.07 0.00 0.48 0.00 0.00 55.95 55.01 2ds4 s SER 5 Cb 0.00 -0.39 -0.02 0.00 0.10 0.00 0.00 66.02 65.71 2ds4 s SER 5 CO 0.00 -0.43 -0.13 -1.28 0.98 0.00 0.00 173.24 172.38 2ds4 h SER 6 N 1.80 0.00 0.00 7.02 0.87 -1.98 -3.49 113.55 117.77 2ds4 h SER 6 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2ds4 h SER 6 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 2ds4 h SER 6 CO 0.80 0.65 0.00 0.61 -0.53 0.00 0.00 176.83 178.36 2ds4 n GLY 7 N 1.67 0.39 3.39 5.77 0.00 -1.26 -5.15 105.19 110.00 2ds4 n GLY 7 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 2ds4 n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ds4 s GLU 8 N 0.00 1.60 0.17 1.61 -1.05 -1.26 -5.07 118.70 114.70 2ds4 s GLU 8 Ca 0.00 -1.65 -0.29 0.00 -0.15 0.00 0.00 54.97 52.88 2ds4 s GLU 8 Cb 0.00 0.38 -0.08 0.00 -0.44 0.00 0.00 34.13 33.99 2ds4 s GLU 8 CO 0.00 -0.62 0.91 0.54 0.95 0.00 0.00 175.26 177.04 2ds4 s VAL 9 N -3.66 4.30 -0.06 1.83 0.11 -1.26 -2.64 120.40 119.03 2ds4 s VAL 9 Ca 0.33 1.99 0.04 0.00 -2.93 0.00 0.00 61.98 61.42 2ds4 s VAL 9 Cb 0.02 -4.28 -0.00 0.00 -1.53 0.00 0.00 36.38 30.59 2ds4 s VAL 9 CO 0.17 0.44 -0.19 -0.62 -3.33 0.00 0.00 175.10 171.56 2ds4 s ASP 10 N -0.72 2.46 0.06 3.54 2.15 -0.93 -4.85 116.67 118.37 2ds4 s ASP 10 Ca 0.42 -0.41 -0.19 0.00 0.43 0.00 0.00 52.55 52.80 2ds4 s ASP 10 Cb -0.24 -0.81 -0.12 0.00 -0.30 0.00 0.00 42.92 41.45 2ds4 s ASP 10 CO 0.30 0.16 1.37 1.55 -0.17 0.00 0.00 175.17 178.38 2ds4 h PRO 11 N 6.37 0.47 -0.51 4.34 0.13 -1.87 -2.53 132.00 138.40 2ds4 h PRO 11 Ca -0.30 -0.25 0.15 0.00 -0.87 0.00 0.00 66.00 64.73 2ds4 h PRO 11 Cb 1.19 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2ds4 h PRO 11 CO 0.47 0.82 0.55 0.00 -0.23 0.00 0.00 178.00 179.61 2ds4 h ALA 12 N 0.64 2.26 0.00 -0.56 0.00 -1.91 0.40 119.26 120.09 2ds4 h ALA 12 Ca 0.03 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 2ds4 h ALA 12 Cb 0.73 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 2ds4 h ALA 12 CO 0.05 -0.82 -1.69 1.63 0.00 0.00 0.00 179.25 178.42 2ds4 n LYS 13 N -3.68 0.64 -0.89 0.00 4.76 -1.15 -4.18 118.16 113.66 2ds4 n LYS 13 Ca 0.10 0.15 -0.33 0.00 -2.87 0.00 0.00 58.31 55.36 2ds4 n LYS 13 Cb 0.75 -1.72 0.13 0.00 -1.84 0.00 0.00 35.03 32.34 2ds4 n LYS 13 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ds4 s VAL 15 N -2.33 0.00 0.15 0.00 -7.23 -1.04 -3.83 120.40 106.12 2ds4 s VAL 15 Ca 0.64 -1.67 0.08 0.00 -1.81 0.00 0.00 61.98 59.22 2ds4 s VAL 15 Cb -0.25 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 2ds4 s VAL 15 CO 0.60 0.00 -0.18 -0.76 -0.31 0.00 0.00 175.10 174.45 2ds4 s LEU 16 N -3.23 2.41 0.20 1.32 1.43 -1.26 -2.49 118.68 117.06 2ds4 s LEU 16 Ca 0.32 -0.82 0.09 0.00 -1.03 0.00 0.00 54.13 52.69 2ds4 s LEU 16 Cb 0.01 -0.79 -0.04 0.00 0.03 0.00 0.00 46.19 45.40 2ds4 s LEU 16 CO 0.19 -0.04 -0.08 -1.10 0.23 0.00 0.00 176.35 175.55 2ds4 s GLN 17 N -2.61 2.09 0.00 1.70 -0.21 0.88 -4.94 119.66 116.56 2ds4 s GLN 17 Ca 0.13 -1.31 0.00 0.00 0.02 0.00 0.00 55.36 54.20 2ds4 s GLN 17 Cb -0.06 -2.15 0.00 0.00 1.00 0.00 0.00 33.01 31.80 2ds4 s GLN 17 CO 0.06 0.42 0.00 0.41 -2.12 0.00 0.00 175.29 174.05 2ds4 n GLY 18 N -0.15 4.76 0.14 3.09 0.00 -1.26 -3.78 105.19 107.99 2ds4 n GLY 18 Ca -0.10 -1.15 -0.22 0.00 0.00 0.00 0.00 46.02 44.55 2ds4 n GLY 18 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2ds4 h GLU 19 N 0.00 0.28 -2.28 1.61 4.11 -1.99 -3.40 114.58 112.91 2ds4 h GLU 19 Ca 0.00 -0.48 -0.60 0.00 0.07 0.00 0.00 59.36 58.35 2ds4 h GLU 19 Cb 0.00 0.18 -0.41 0.00 0.50 0.00 0.00 28.75 29.02 2ds4 h GLU 19 CO 0.00 1.23 -0.55 -0.25 0.07 0.00 0.00 179.01 179.51 2ds4 n ASP 20 N -3.63 4.55 0.09 3.06 9.92 -1.26 -4.82 116.55 124.45 2ds4 n ASP 20 Ca -0.29 -3.66 -0.07 0.00 -0.53 0.00 0.00 54.79 50.23 2ds4 n ASP 20 Cb 1.01 -0.61 0.02 0.00 -0.64 0.00 0.00 41.12 40.90 2ds4 n ASP 20 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 2ds4 h LEU 21 N 3.20 0.22 -2.73 0.64 3.38 -1.92 -3.08 115.31 115.03 2ds4 h LEU 21 Ca 0.16 -0.17 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 2ds4 h LEU 21 Cb 0.51 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 2ds4 h LEU 21 CO 0.84 0.95 0.11 1.41 0.09 0.00 0.00 178.44 181.84 2ds4 n HIS 22 N -3.68 1.42 -3.70 1.13 8.25 -1.26 -4.82 115.22 112.56 2ds4 n HIS 22 Ca -0.03 -0.68 -0.11 0.00 -0.26 0.00 0.00 57.72 56.64 2ds4 n HIS 22 Cb 0.77 -0.44 -0.11 0.00 1.12 0.00 0.00 29.99 31.34 2ds4 n HIS 22 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2ds4 s ARG 23 N -2.04 0.41 0.16 -0.41 6.06 -1.16 -3.66 118.95 118.30 2ds4 s ARG 23 Ca 0.33 0.75 -0.03 0.00 -2.50 0.00 0.00 55.73 54.28 2ds4 s ARG 23 Cb 0.26 0.02 -0.03 0.00 0.06 0.00 0.00 34.95 35.26 2ds4 s ARG 23 CO 0.09 -0.14 0.14 0.00 -2.50 0.00 0.00 175.30 172.89 2ds4 s ALA 24 N 1.20 0.70 0.32 6.12 0.00 -0.83 -4.85 121.76 124.42 2ds4 s ALA 24 Ca -0.08 -1.37 0.09 0.00 0.00 0.00 0.00 51.96 50.60 2ds4 s ALA 24 Cb -0.07 1.00 -0.05 0.00 0.00 0.00 0.00 23.12 23.99 2ds4 s ALA 24 CO -0.11 -0.56 -0.01 0.50 0.00 0.00 0.00 175.76 175.58 2ds4 s ARG 25 N -4.06 2.07 0.13 0.00 3.52 -1.26 -1.15 118.95 118.19 2ds4 s ARG 25 Ca 0.26 -1.70 -0.31 0.00 -0.13 0.00 0.00 55.73 53.85 2ds4 s ARG 25 Cb 0.06 -1.95 -0.09 0.00 -1.56 0.00 0.00 34.95 31.41 2ds4 s ARG 25 CO 0.04 0.19 1.54 -2.00 -0.81 0.00 0.00 175.30 174.26 2ds4 s GLU 26 N -3.69 4.24 -1.37 5.12 2.56 0.15 -2.37 118.70 123.34 2ds4 s GLU 26 Ca 0.34 2.27 -0.06 0.00 0.00 0.00 0.00 54.97 57.52 2ds4 s GLU 26 Cb -0.02 -3.29 0.04 0.00 2.00 0.00 0.00 34.13 32.87 2ds4 s GLU 26 CO 0.19 -0.59 0.46 1.63 -0.56 0.00 0.00 175.26 176.39 2ds4 n LYS 27 N 4.36 -3.77 -3.91 4.30 5.02 -1.04 -4.46 118.16 118.67 2ds4 n LYS 27 Ca 0.14 0.66 -0.30 0.00 -2.02 0.00 0.00 58.31 56.79 2ds4 n LYS 27 Cb 0.40 -5.42 -0.04 0.00 -0.02 0.00 0.00 35.03 29.95 2ds4 n LYS 27 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2ds4 s GLN 28 N -5.76 3.45 -0.66 1.97 2.00 -1.00 -4.91 119.66 114.75 2ds4 s GLN 28 Ca 0.31 -0.45 -0.19 0.00 -2.00 0.00 0.00 55.36 53.03 2ds4 s GLN 28 Cb -0.15 -3.02 0.11 0.00 0.80 0.00 0.00 33.01 30.75 2ds4 s GLN 28 CO 0.38 0.59 0.79 0.99 -0.50 0.00 0.00 175.29 177.54 2ds4 s THR 29 N -1.55 4.81 -0.18 -0.34 2.01 -1.26 -4.00 115.64 115.12 2ds4 s THR 29 Ca 0.35 -1.11 -0.15 0.00 0.31 0.00 0.00 61.69 61.09 2ds4 s THR 29 Cb -0.13 -4.55 -0.04 0.00 0.01 0.00 0.00 72.50 67.79 2ds4 s THR 29 CO 0.28 -1.21 0.34 0.00 -0.69 0.00 0.00 174.62 173.34 2ds4 s ALA 30 N 2.64 3.57 -0.01 7.40 0.00 -0.03 -4.94 121.76 130.39 2ds4 s ALA 30 Ca 0.16 -0.50 -0.00 0.00 0.00 0.00 0.00 51.96 51.61 2ds4 s ALA 30 Cb -0.20 -2.51 0.01 0.00 0.00 0.00 0.00 23.12 20.42 2ds4 s ALA 30 CO 0.03 -0.11 0.03 -1.54 0.00 0.00 0.00 175.76 174.17 2ds4 s SER 31 N 0.79 0.01 0.20 0.00 1.04 -1.26 -0.44 113.70 114.04 2ds4 s SER 31 Ca 0.18 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.65 2ds4 s SER 31 Cb -0.14 -0.00 -0.04 0.00 0.10 0.00 0.00 66.02 65.94 2ds4 s SER 31 CO 0.06 -0.06 0.08 0.72 0.98 0.00 0.00 173.24 175.02 2ds4 s PHE 32 N 0.45 1.23 -0.14 5.02 -0.71 -0.99 -4.97 117.98 117.88 2ds4 s PHE 32 Ca -0.04 -1.21 -0.04 0.00 -1.04 0.00 0.00 56.93 54.60 2ds4 s PHE 32 Cb -0.05 -0.68 -0.03 0.00 -1.21 0.00 0.00 43.02 41.04 2ds4 s PHE 32 CO -0.01 -0.42 0.02 0.99 -1.34 0.00 0.00 175.22 174.45 2ds4 s THR 33 N -3.90 4.42 -0.40 -4.49 2.01 -1.25 -2.88 115.64 109.16 2ds4 s THR 33 Ca 0.32 -0.18 -0.09 0.00 0.31 0.00 0.00 61.69 62.05 2ds4 s THR 33 Cb 0.07 -2.93 0.07 0.00 0.01 0.00 0.00 72.50 69.72 2ds4 s THR 33 CO 0.09 0.53 0.24 -0.22 -0.69 0.00 0.00 174.62 174.56 2ds4 s LEU 34 N -0.18 5.00 -0.05 4.42 2.96 -1.22 -0.09 118.68 129.52 2ds4 s LEU 34 Ca 0.06 -1.38 -0.28 0.00 -0.22 0.00 0.00 54.13 52.31 2ds4 s LEU 34 Cb -0.12 -1.98 -0.03 0.00 0.50 0.00 0.00 46.19 44.56 2ds4 s LEU 34 CO 0.02 -0.49 0.91 -0.76 -1.32 0.00 0.00 176.35 174.71 2ds4 s LEU 35 N 1.45 4.31 -0.22 -0.68 1.43 -1.04 -2.62 118.68 121.32 2ds4 s LEU 35 Ca 0.02 1.48 -0.09 0.00 -1.03 0.00 0.00 54.13 54.52 2ds4 s LEU 35 Cb -0.22 -3.43 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 2ds4 s LEU 35 CO 0.03 -0.28 0.10 0.00 0.23 0.00 0.00 176.35 176.43 2ds4 s LYS 37 N 0.93 2.15 0.41 0.00 3.01 -1.26 -3.87 119.74 121.11 2ds4 s LYS 37 Ca 0.05 -2.18 0.05 0.00 -1.01 0.00 0.00 55.97 52.88 2ds4 s LYS 37 Cb -0.14 -1.71 0.07 0.00 -1.01 0.00 0.00 37.83 35.04 2ds4 s LYS 37 CO 0.03 -0.28 0.57 -0.40 0.51 0.00 0.00 175.35 175.78 2ds4 n ASP 38 N -1.26 1.33 -0.15 2.83 5.75 -0.35 -2.20 116.55 122.51 2ds4 n ASP 38 Ca -0.10 -1.99 0.12 0.00 -0.01 0.00 0.00 54.79 52.80 2ds4 n ASP 38 Cb 0.66 -0.31 0.45 0.00 -1.03 0.00 0.00 41.12 40.89 2ds4 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2ds4 h ALA 39 N 0.09 1.95 -0.02 2.12 0.00 -1.83 0.40 119.26 121.98 2ds4 h ALA 39 Ca -0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2ds4 h ALA 39 Cb 0.84 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2ds4 h ALA 39 CO 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.39 2ds4 n ALA 40 N -2.49 2.61 -2.65 0.00 0.00 -1.26 -4.88 120.51 111.83 2ds4 n ALA 40 Ca 0.12 -0.17 -0.14 0.00 0.00 0.00 0.00 53.44 53.25 2ds4 n ALA 40 Cb 0.40 -1.30 0.02 0.00 0.00 0.00 0.00 19.45 18.57 2ds4 n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ds4 n GLY 41 N 0.85 -0.10 3.47 0.00 0.00 0.14 -5.02 105.19 104.53 2ds4 n GLY 41 Ca 0.15 -0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 2ds4 n GLY 41 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ds4 s GLU 42 N -5.16 1.69 0.23 1.61 -1.05 -1.26 -4.79 118.70 109.97 2ds4 s GLU 42 Ca 0.16 -1.35 -0.32 0.00 -0.15 0.00 0.00 54.97 53.31 2ds4 s GLU 42 Cb -0.07 -1.99 -0.12 0.00 -0.44 0.00 0.00 34.13 31.50 2ds4 s GLU 42 CO 0.20 0.44 1.60 -0.89 0.95 0.00 0.00 175.26 177.55 2ds4 n ILE 43 N 0.46 0.49 -0.07 1.83 2.08 -1.26 -1.21 119.36 121.69 2ds4 n ILE 43 Ca -0.14 -0.12 -0.09 0.00 0.56 0.00 0.00 62.75 62.96 2ds4 n ILE 43 Cb 0.54 -1.80 -0.07 0.00 -0.75 0.00 0.00 39.64 37.56 2ds4 n ILE 43 CO 0.00 0.00 0.00 1.15 0.56 0.00 0.00 176.55 178.26 2ds4 n MET 44 N 2.95 0.86 -4.13 0.38 0.00 -1.25 -4.87 117.12 111.06 2ds4 n MET 44 Ca 0.13 0.06 -0.34 0.00 0.00 0.00 0.00 57.70 57.55 2ds4 n MET 44 Cb 0.34 -1.28 -0.04 0.00 0.00 0.00 0.00 33.22 32.24 2ds4 n MET 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2ds4 n GLY 45 N 2.69 -0.40 0.00 3.17 0.00 -1.26 -4.71 105.19 104.69 2ds4 n GLY 45 Ca -0.23 0.24 0.02 0.00 0.00 0.00 0.00 46.02 46.04 2ds4 n GLY 45 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ds4 n ARG 46 N -4.65 0.40 -1.40 1.61 5.12 -1.26 -4.63 116.66 111.86 2ds4 n ARG 46 Ca -0.25 -0.03 0.00 0.00 -1.93 0.00 0.00 57.85 55.64 2ds4 n ARG 46 Cb 0.65 -1.10 0.00 0.00 -1.16 0.00 0.00 32.46 30.85 2ds4 n ARG 46 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2ds4 n GLY 47 N 2.31 -4.66 0.00 -0.13 0.00 -1.25 -4.84 105.19 96.62 2ds4 n GLY 47 Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2ds4 n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ds4 n GLY 48 N 0.88 -0.28 2.78 -0.02 0.00 -1.26 -4.96 105.19 102.34 2ds4 n GLY 48 Ca 0.00 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.74 2ds4 n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ds4 s ASP 49 N 0.00 0.06 -0.72 1.61 1.01 -1.26 -4.99 116.67 112.39 2ds4 s ASP 49 Ca 0.00 0.07 -0.26 0.00 0.71 0.00 0.00 52.55 53.06 2ds4 s ASP 49 Cb 0.00 -0.05 0.01 0.00 1.01 0.00 0.00 42.92 43.89 2ds4 s ASP 49 CO 0.00 -0.13 1.56 0.20 0.21 0.00 0.00 175.17 177.01 2ds4 s ASN 50 N 1.10 5.77 -0.13 0.27 -0.87 -1.26 -4.98 114.94 114.84 2ds4 s ASN 50 Ca -0.09 -0.21 -0.18 0.00 -1.57 0.00 0.00 52.86 50.81 2ds4 s ASN 50 Cb -0.13 -2.55 -0.04 0.00 -0.02 0.00 0.00 41.25 38.51 2ds4 s ASN 50 CO -0.03 -2.08 0.46 -0.69 -2.57 0.00 0.00 177.10 172.18 2ds4 s VAL 51 N 7.27 5.20 -0.13 1.60 1.01 -1.26 -1.43 120.40 132.65 2ds4 s VAL 51 Ca 0.50 0.91 0.02 0.00 0.00 0.00 0.00 61.98 63.41 2ds4 s VAL 51 Cb -0.09 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.50 2ds4 s VAL 51 CO 0.15 0.32 -0.20 -1.10 0.00 0.00 0.00 175.10 174.27 2ds4 s GLN 52 N 0.68 2.75 -0.12 2.72 -0.21 -0.42 -5.02 119.66 120.04 2ds4 s GLN 52 Ca 0.25 -0.75 0.01 0.00 0.02 0.00 0.00 55.36 54.89 2ds4 s GLN 52 Cb -0.15 -2.26 0.02 0.00 1.00 0.00 0.00 33.01 31.62 2ds4 s GLN 52 CO 0.09 -0.04 -0.14 0.08 -2.12 0.00 0.00 175.29 173.16 2ds4 s VAL 53 N 0.89 1.49 -0.13 1.09 1.01 -1.26 -1.94 120.40 121.55 2ds4 s VAL 53 Ca -0.06 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 2ds4 s VAL 53 Cb -0.15 -1.38 0.05 0.00 0.00 0.00 0.00 36.38 34.90 2ds4 s VAL 53 CO -0.02 0.44 0.08 0.00 0.00 0.00 0.00 175.10 175.60 2ds4 s ALA 54 N 1.16 0.38 -0.24 5.51 0.00 -0.39 -4.98 121.76 123.20 2ds4 s ALA 54 Ca -0.03 -0.16 -0.10 0.00 0.00 0.00 0.00 51.96 51.68 2ds4 s ALA 54 Cb -0.14 -0.90 -0.05 0.00 0.00 0.00 0.00 23.12 22.03 2ds4 s ALA 54 CO -0.04 -0.94 0.14 0.08 0.00 0.00 0.00 175.76 174.99 2ds4 s VAL 55 N 2.14 5.13 -0.07 0.00 1.01 -1.26 -0.36 120.40 126.98 2ds4 s VAL 55 Ca 0.03 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.11 2ds4 s VAL 55 Cb -0.15 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 32.86 2ds4 s VAL 55 CO -0.07 0.34 -0.05 -0.69 0.00 0.00 0.00 175.10 174.63 2ds4 s VAL 56 N 1.16 0.68 0.08 2.92 1.01 -0.73 -3.42 120.40 122.10 2ds4 s VAL 56 Ca 0.07 -0.14 -0.31 0.00 0.00 0.00 0.00 61.98 61.59 2ds4 s VAL 56 Cb -0.14 -0.72 -0.07 0.00 0.00 0.00 0.00 36.38 35.45 2ds4 s VAL 56 CO 0.05 0.28 1.38 -2.16 0.00 0.00 0.00 175.10 174.65 2ds4 s PRO 57 N 1.30 4.32 0.48 2.72 0.04 -1.25 -0.92 135.00 141.70 2ds4 s PRO 57 Ca -0.04 2.03 0.21 0.00 0.04 0.00 0.00 61.00 63.24 2ds4 s PRO 57 Cb -0.14 -3.35 1.25 0.00 0.04 0.00 0.00 34.50 32.30 2ds4 s PRO 57 CO -0.02 -0.46 1.96 -0.22 0.04 0.00 0.00 177.00 178.29 2ds4 h LYS 58 N 7.10 0.18 0.34 4.56 3.64 -1.74 -2.80 116.57 127.85 2ds4 h LYS 58 Ca -0.41 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.94 2ds4 h LYS 58 Cb 1.20 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 2ds4 h LYS 58 CO 0.87 0.12 -0.16 0.22 -2.27 0.00 0.00 179.45 178.23 2ds4 h ASP 59 N 0.19 -0.39 -2.86 4.20 3.58 -1.91 -3.44 116.42 115.80 2ds4 h ASP 59 Ca 0.32 0.01 -0.65 0.00 0.42 0.00 0.00 57.03 57.13 2ds4 h ASP 59 Cb 0.98 0.10 -0.09 0.00 1.72 0.00 0.00 39.33 42.04 2ds4 h ASP 59 CO -0.05 -0.22 -0.50 -0.54 -2.88 0.00 0.00 179.24 175.04 2ds4 s LYS 60 N -3.57 3.60 -0.17 0.28 -0.14 -1.06 -5.02 119.74 113.67 2ds4 s LYS 60 Ca -0.07 -0.18 -0.23 0.00 -1.36 0.00 0.00 55.97 54.13 2ds4 s LYS 60 Cb 0.01 -3.21 -0.23 0.00 -1.68 0.00 0.00 37.83 32.71 2ds4 s LYS 60 CO 0.20 0.64 0.47 0.87 -0.76 0.00 0.00 175.35 176.78 2ds4 h LYS 61 N 5.45 0.04 0.29 1.68 1.57 -1.85 -3.33 116.57 120.41 2ds4 h LYS 61 Ca -0.51 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.19 2ds4 h LYS 61 Cb 1.21 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.55 2ds4 h LYS 61 CO 0.62 1.03 -0.14 0.22 -0.57 0.00 0.00 179.45 180.62 2ds4 h ASP 62 N -0.88 -0.33 0.00 0.86 1.82 -1.95 -3.43 116.42 112.51 2ds4 h ASP 62 Ca -0.22 0.01 -0.26 0.00 -0.39 0.00 0.00 57.03 56.17 2ds4 h ASP 62 Cb 1.27 0.09 -0.06 0.00 0.68 0.00 0.00 39.33 41.31 2ds4 h ASP 62 CO -0.09 -0.15 1.13 -0.24 -1.61 0.00 0.00 179.24 178.28 2ds4 n SER 63 N -3.52 -0.31 -3.17 2.28 2.88 -1.26 -4.84 113.62 105.68 2ds4 n SER 63 Ca -0.05 -0.09 -0.19 0.00 -1.33 0.00 0.00 58.87 57.21 2ds4 n SER 63 Cb 0.15 -0.44 0.16 0.00 -0.75 0.00 0.00 64.21 63.33 2ds4 n SER 63 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2ds4 n PRO 64 N 4.26 -2.36 -3.88 -1.46 -0.04 -1.26 -4.48 135.00 125.79 2ds4 n PRO 64 Ca 0.40 -1.10 -0.19 0.00 -0.04 0.00 0.00 63.50 62.57 2ds4 n PRO 64 Cb 0.05 -1.03 -0.17 0.00 -0.04 0.00 0.00 33.50 32.31 2ds4 n PRO 64 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ds4 s VAL 65 N -2.25 0.19 0.07 0.52 1.01 -1.22 -4.93 120.40 113.79 2ds4 s VAL 65 Ca 0.45 0.13 -0.32 0.00 0.00 0.00 0.00 61.98 62.24 2ds4 s VAL 65 Cb -0.04 -0.31 -0.11 0.00 0.00 0.00 0.00 36.38 35.91 2ds4 s VAL 65 CO 0.34 0.17 1.82 0.54 0.00 0.00 0.00 175.10 177.98 2ds4 n ARG 66 N 4.46 2.56 -4.15 2.72 5.12 -1.26 -4.68 116.66 121.43 2ds4 n ARG 66 Ca -0.20 0.93 -0.12 0.00 -1.93 0.00 0.00 57.85 56.53 2ds4 n ARG 66 Cb 0.50 -2.80 -0.10 0.00 -1.16 0.00 0.00 32.46 28.89 2ds4 n ARG 66 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2ds4 s THR 67 N 2.92 0.73 0.10 0.55 -4.23 -1.26 -3.03 115.64 111.42 2ds4 s THR 67 Ca 0.85 -1.69 0.04 0.00 -1.18 0.00 0.00 61.69 59.71 2ds4 s THR 67 Cb -0.56 -1.38 -0.03 0.00 1.34 0.00 0.00 72.50 71.87 2ds4 s THR 67 CO 0.41 -0.69 -0.11 -0.32 -0.54 0.00 0.00 174.62 173.37 2ds4 s MET 68 N -3.10 0.86 -0.07 3.99 1.75 0.83 -5.00 119.30 118.57 2ds4 s MET 68 Ca 0.06 -1.14 -0.03 0.00 -1.25 0.00 0.00 55.69 53.33 2ds4 s MET 68 Cb -0.00 -0.61 0.04 0.00 2.84 0.00 0.00 34.83 37.10 2ds4 s MET 68 CO -0.02 0.10 0.14 0.54 -0.65 0.00 0.00 175.02 175.13 2ds4 s VAL 69 N -2.24 -0.17 -0.16 10.11 0.11 -1.26 -2.81 120.40 123.97 2ds4 s VAL 69 Ca 0.05 0.30 -0.02 0.00 -2.93 0.00 0.00 61.98 59.39 2ds4 s VAL 69 Cb -0.04 -0.25 -0.01 0.00 -1.53 0.00 0.00 36.38 34.55 2ds4 s VAL 69 CO 0.01 0.13 -0.10 -1.58 -3.33 0.00 0.00 175.10 170.22 2ds4 s GLN 70 N 1.87 3.38 -0.37 1.54 2.00 -0.60 -5.04 119.66 122.44 2ds4 s GLN 70 Ca -0.01 -0.66 -0.17 0.00 -2.00 0.00 0.00 55.36 52.51 2ds4 s GLN 70 Cb -0.12 -2.77 0.00 0.00 0.80 0.00 0.00 33.01 30.92 2ds4 s GLN 70 CO -0.05 0.05 0.46 0.16 -0.50 0.00 0.00 175.29 175.41 2ds4 s ASP 71 N 0.78 6.25 -0.15 6.67 1.47 -1.26 -3.06 116.67 127.36 2ds4 s ASP 71 Ca -0.04 -0.26 0.14 0.00 1.18 0.00 0.00 52.55 53.57 2ds4 s ASP 71 Cb -0.15 -2.24 -0.19 0.00 -0.34 0.00 0.00 42.92 40.00 2ds4 s ASP 71 CO 0.01 -0.48 0.05 0.59 0.68 0.00 0.00 175.17 176.02 2ds4 n ASN 72 N 5.64 1.20 -3.10 2.11 3.02 -1.26 -5.00 115.26 117.87 2ds4 n ASN 72 Ca -0.06 -0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.26 2ds4 n ASN 72 Cb 0.49 0.87 0.02 0.00 -0.61 0.00 0.00 39.78 40.55 2ds4 n ASN 72 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2ds4 n LYS 73 N -2.57 -4.29 -0.58 3.52 4.76 -1.26 -4.86 118.16 112.88 2ds4 n LYS 73 Ca -0.25 0.76 0.06 0.00 -2.87 0.00 0.00 58.31 56.01 2ds4 n LYS 73 Cb 1.00 -5.57 0.20 0.00 -1.84 0.00 0.00 35.03 28.83 2ds4 n LYS 73 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2ds4 n ASP 74 N -2.42 1.74 0.00 4.39 8.00 -1.26 -3.80 116.55 123.21 2ds4 n ASP 74 Ca -0.09 -3.82 0.00 0.00 0.71 0.00 0.00 54.79 51.60 2ds4 n ASP 74 Cb 0.60 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 2ds4 n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ds4 n GLY 75 N -1.12 3.37 3.17 0.44 0.00 -1.26 -4.81 105.19 104.99 2ds4 n GLY 75 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 2ds4 n GLY 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ds4 s THR 76 N -2.50 0.19 0.44 2.61 -4.23 -1.26 -2.12 115.64 108.77 2ds4 s THR 76 Ca 0.00 -1.93 0.03 0.00 -1.18 0.00 0.00 61.69 58.60 2ds4 s THR 76 Cb 0.00 -2.13 -0.02 0.00 1.34 0.00 0.00 72.50 71.69 2ds4 s THR 76 CO 0.00 -0.40 0.08 -0.31 -0.54 0.00 0.00 174.62 173.45 2ds4 s TYR 77 N -3.99 1.84 -0.25 3.99 1.51 -1.08 -4.15 117.35 115.23 2ds4 s TYR 77 Ca 0.26 -1.14 -0.03 0.00 -1.01 0.00 0.00 57.07 55.16 2ds4 s TYR 77 Cb 0.07 -1.34 0.08 0.00 -0.11 0.00 0.00 41.96 40.66 2ds4 s TYR 77 CO 0.04 -0.08 0.08 -0.47 -1.11 0.00 0.00 175.55 174.01 2ds4 s TYR 78 N -3.08 1.06 0.01 2.71 5.04 -1.17 -3.39 117.35 118.53 2ds4 s TYR 78 Ca 0.18 -1.11 0.01 0.00 -2.44 0.00 0.00 57.07 53.71 2ds4 s TYR 78 Cb 0.03 -1.20 -0.04 0.00 0.35 0.00 0.00 41.96 41.10 2ds4 s TYR 78 CO 0.10 -0.73 0.04 0.42 -1.34 0.00 0.00 175.55 174.04 2ds4 s ILE 79 N 1.84 4.41 -0.05 3.14 1.01 -1.14 -1.55 121.20 128.87 2ds4 s ILE 79 Ca 0.04 -0.55 -0.05 0.00 0.00 0.00 0.00 60.65 60.10 2ds4 s ILE 79 Cb -0.17 -3.01 0.01 0.00 0.01 0.00 0.00 42.46 39.31 2ds4 s ILE 79 CO -0.19 0.34 0.13 -0.94 0.00 0.00 0.00 174.94 174.28 2ds4 s SER 80 N -1.72 -0.13 0.02 3.58 1.04 -1.12 -2.34 113.70 113.04 2ds4 s SER 80 Ca 0.22 0.24 -0.09 0.00 0.48 0.00 0.00 55.95 56.80 2ds4 s SER 80 Cb -0.12 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.27 2ds4 s SER 80 CO 0.13 -0.06 0.18 -0.72 0.98 0.00 0.00 173.24 173.75 2ds4 s TYR 81 N 0.00 0.04 -0.10 5.02 -0.85 0.41 -0.12 117.35 121.76 2ds4 s TYR 81 Ca -0.01 -0.20 -0.03 0.00 -0.52 0.00 0.00 57.07 56.31 2ds4 s TYR 81 Cb -0.01 -0.04 0.05 0.00 0.38 0.00 0.00 41.96 42.34 2ds4 s TYR 81 CO 0.00 -0.37 0.08 0.99 -1.52 0.00 0.00 175.55 174.73 2ds4 s THR 82 N -2.05 -0.12 0.93 -3.49 2.01 -1.17 -0.86 115.64 110.90 2ds4 s THR 82 Ca -0.09 0.16 -0.12 0.00 0.31 0.00 0.00 61.69 61.95 2ds4 s THR 82 Cb -0.04 -0.35 0.15 0.00 0.01 0.00 0.00 72.50 72.27 2ds4 s THR 82 CO -0.01 -0.03 1.09 -2.16 -0.69 0.00 0.00 174.62 172.82 2ds4 s PRO 83 N 2.17 1.02 -0.09 4.92 0.04 -1.26 -4.36 135.00 137.44 2ds4 s PRO 83 Ca 0.04 0.73 0.03 0.00 0.04 0.00 0.00 61.00 61.84 2ds4 s PRO 83 Cb -0.14 -1.79 -0.08 0.00 0.04 0.00 0.00 34.50 32.53 2ds4 s PRO 83 CO -0.06 -2.38 -0.05 0.36 0.04 0.00 0.00 177.00 174.91 2ds4 n LYS 84 N -3.97 1.17 -4.11 4.56 2.85 -1.26 -2.48 118.16 114.92 2ds4 n LYS 84 Ca 0.06 0.04 -0.12 0.00 -1.05 0.00 0.00 58.31 57.24 2ds4 n LYS 84 Cb 0.56 -1.21 -0.11 0.00 -0.65 0.00 0.00 35.03 33.62 2ds4 n LYS 84 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2ds4 s GLU 85 N -2.20 0.67 0.84 -1.58 2.02 -1.26 -4.58 118.70 112.61 2ds4 s GLU 85 Ca -0.10 -1.01 -0.11 0.00 0.02 0.00 0.00 54.97 53.77 2ds4 s GLU 85 Cb 0.03 -0.29 0.10 0.00 0.10 0.00 0.00 34.13 34.06 2ds4 s GLU 85 CO 0.27 0.03 1.09 -1.25 0.02 0.00 0.00 175.26 175.43 2ds4 s PRO 86 N -2.50 1.70 0.00 0.39 0.04 -1.26 -4.87 135.00 128.50 2ds4 s PRO 86 Ca -0.01 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.00 2ds4 s PRO 86 Cb -0.04 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2ds4 s PRO 86 CO -0.01 -1.98 0.00 0.41 0.04 0.00 0.00 177.00 175.46 2ds4 n GLY 87 N -1.18 0.41 3.28 0.56 0.00 -0.64 -4.91 105.19 102.72 2ds4 n GLY 87 Ca 0.08 -1.58 -0.31 0.00 0.00 0.00 0.00 46.02 44.22 2ds4 n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ds4 s VAL 88 N -2.65 1.98 0.35 1.61 0.11 -1.26 0.67 120.40 121.21 2ds4 s VAL 88 Ca 0.00 -1.05 0.03 0.00 -2.93 0.00 0.00 61.98 58.03 2ds4 s VAL 88 Cb 0.00 -1.65 -0.05 0.00 -1.53 0.00 0.00 36.38 33.15 2ds4 s VAL 88 CO 0.00 0.56 0.09 -0.31 -3.33 0.00 0.00 175.10 172.11 2ds4 s TYR 89 N -0.42 1.83 -0.20 1.54 1.51 0.13 -2.16 117.35 119.58 2ds4 s TYR 89 Ca 0.05 -1.12 -0.02 0.00 -1.01 0.00 0.00 57.07 54.97 2ds4 s TYR 89 Cb -0.11 -1.18 0.06 0.00 -0.11 0.00 0.00 41.96 40.62 2ds4 s TYR 89 CO 0.01 -0.16 0.00 0.99 -1.11 0.00 0.00 175.55 175.27 2ds4 s THR 90 N -3.32 0.84 -0.40 -0.71 2.01 -0.09 -1.04 115.64 112.92 2ds4 s THR 90 Ca 0.31 -0.72 -0.23 0.00 0.31 0.00 0.00 61.69 61.36 2ds4 s THR 90 Cb 0.06 -1.24 0.02 0.00 0.01 0.00 0.00 72.50 71.34 2ds4 s THR 90 CO 0.15 -0.14 0.76 -0.69 -0.69 0.00 0.00 174.62 174.01 2ds4 s VAL 91 N 1.72 4.72 -0.54 3.82 1.01 -0.45 -1.78 120.40 128.90 2ds4 s VAL 91 Ca -0.02 0.62 -0.18 0.00 0.00 0.00 0.00 61.98 62.41 2ds4 s VAL 91 Cb -0.17 -4.24 0.09 0.00 0.00 0.00 0.00 36.38 32.06 2ds4 s VAL 91 CO -0.07 -0.54 0.59 0.26 0.00 0.00 0.00 175.10 175.34 2ds4 s TRP 92 N 3.11 3.10 -0.31 5.22 0.52 0.51 -2.68 118.94 128.41 2ds4 s TRP 92 Ca 0.29 -0.89 -0.00 0.00 0.02 0.00 0.00 56.10 55.52 2ds4 s TRP 92 Cb -0.13 -3.69 0.07 0.00 -1.15 0.00 0.00 33.47 28.56 2ds4 s TRP 92 CO 0.19 -1.09 0.01 0.08 0.02 0.00 0.00 176.95 176.17 2ds4 s VAL 93 N 2.30 2.81 0.02 4.03 1.01 -1.26 -1.26 120.40 128.06 2ds4 s VAL 93 Ca 0.10 -1.62 0.03 0.00 0.00 0.00 0.00 61.98 60.49 2ds4 s VAL 93 Cb -0.24 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.41 2ds4 s VAL 93 CO 0.07 -0.23 -0.10 0.00 0.00 0.00 0.00 175.10 174.84 2ds4 s ILE 95 N -0.70 3.28 -1.28 0.00 1.01 -0.22 -1.30 121.20 121.99 2ds4 s ILE 95 Ca -0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 60.65 60.06 2ds4 s ILE 95 Cb -0.06 -2.39 -0.00 0.00 0.01 0.00 0.00 42.46 40.01 2ds4 s ILE 95 CO 0.00 0.52 0.75 0.29 0.00 0.00 0.00 174.94 176.50 2ds4 n LYS 96 N 3.51 -4.93 -3.90 2.79 5.02 -0.51 -1.87 118.16 118.26 2ds4 n LYS 96 Ca -0.18 0.65 -0.27 0.00 -2.02 0.00 0.00 58.31 56.49 2ds4 n LYS 96 Cb 0.53 -5.26 0.01 0.00 -0.02 0.00 0.00 35.03 30.29 2ds4 n LYS 96 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2ds4 n GLU 97 N -4.21 -4.54 -3.68 1.97 2.13 -1.26 -4.97 120.64 106.08 2ds4 n GLU 97 Ca -0.29 0.53 -0.10 0.00 0.66 0.00 0.00 57.16 57.96 2ds4 n GLU 97 Cb 0.67 -5.13 -0.11 0.00 0.27 0.00 0.00 31.44 27.14 2ds4 n GLU 97 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 2ds4 s GLN 98 N -6.46 0.33 0.11 5.31 -0.21 -0.78 -5.13 119.66 112.83 2ds4 s GLN 98 Ca 0.33 0.86 -0.31 0.00 0.02 0.00 0.00 55.36 56.27 2ds4 s GLN 98 Cb -0.17 0.10 -0.09 0.00 1.00 0.00 0.00 33.01 33.85 2ds4 s GLN 98 CO 0.85 -0.21 1.67 -3.38 -2.12 0.00 0.00 175.29 172.10 2ds4 s HIS 99 N 1.96 2.58 0.86 0.91 -3.43 -1.26 -1.05 115.29 115.85 2ds4 s HIS 99 Ca -0.05 0.34 -0.11 0.00 -0.80 0.00 0.00 55.06 54.44 2ds4 s HIS 99 Cb -0.10 -4.00 0.15 0.00 -1.43 0.00 0.00 32.58 27.20 2ds4 s HIS 99 CO -0.12 -3.95 1.19 0.14 -2.00 0.00 0.00 174.74 170.00 2ds4 s VAL 100 N 2.15 2.07 0.50 -5.38 -7.23 -1.24 -4.44 120.40 106.83 2ds4 s VAL 100 Ca 0.74 -0.19 -0.22 0.00 -1.81 0.00 0.00 61.98 60.50 2ds4 s VAL 100 Cb -0.43 -2.88 -0.06 0.00 0.56 0.00 0.00 36.38 33.57 2ds4 s VAL 100 CO 0.33 0.00 1.22 -1.58 -0.31 0.00 0.00 175.10 174.76 2ds4 s GLN 101 N -5.59 3.48 -1.36 4.82 -0.44 -1.20 -3.34 119.66 116.03 2ds4 s GLN 101 Ca 0.69 1.90 -0.05 0.00 -2.50 0.00 0.00 55.36 55.41 2ds4 s GLN 101 Cb -0.06 -2.29 0.02 0.00 -1.64 0.00 0.00 33.01 29.05 2ds4 s GLN 101 CO 0.49 -0.82 0.88 0.41 0.50 0.00 0.00 175.29 176.76 2ds4 n GLY 102 N 0.51 -0.39 3.53 2.59 0.00 -1.26 -4.80 105.19 105.37 2ds4 n GLY 102 Ca 0.09 0.16 -0.15 0.00 0.00 0.00 0.00 46.02 46.12 2ds4 n GLY 102 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ds4 s SER 103 N -3.96 -0.56 1.24 1.61 0.01 -1.21 -4.58 113.70 106.25 2ds4 s SER 103 Ca 0.25 0.56 -0.20 0.00 1.31 0.00 0.00 55.95 57.87 2ds4 s SER 103 Cb -0.12 0.47 0.30 0.00 0.21 0.00 0.00 66.02 66.87 2ds4 s SER 103 CO 0.79 -0.55 1.06 -0.81 0.41 0.00 0.00 173.24 174.14 2ds4 n PRO 104 N 0.74 -3.09 -3.86 12.44 -0.04 -1.26 -4.67 135.00 135.27 2ds4 n PRO 104 Ca -0.16 -1.69 -0.12 0.00 -0.04 0.00 0.00 63.50 61.50 2ds4 n PRO 104 Cb 0.58 -1.58 -0.12 0.00 -0.04 0.00 0.00 33.50 32.34 2ds4 n PRO 104 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2ds4 s PHE 105 N -2.91 -0.03 0.52 0.54 -0.12 -1.09 -5.01 117.98 109.89 2ds4 s PHE 105 Ca 0.69 0.07 -0.13 0.00 -0.05 0.00 0.00 56.93 57.51 2ds4 s PHE 105 Cb -0.07 -0.01 -0.06 0.00 -0.63 0.00 0.00 43.02 42.25 2ds4 s PHE 105 CO 0.53 -0.15 0.94 0.99 -0.05 0.00 0.00 175.22 177.48 2ds4 s THR 106 N -0.59 4.67 -0.03 -4.49 2.01 -1.26 -1.34 115.64 114.61 2ds4 s THR 106 Ca -0.07 0.90 0.01 0.00 0.31 0.00 0.00 61.69 62.84 2ds4 s THR 106 Cb -0.04 -3.78 0.02 0.00 0.01 0.00 0.00 72.50 68.71 2ds4 s THR 106 CO 0.00 -0.82 -0.01 -0.69 -0.69 0.00 0.00 174.62 172.42 2ds4 s VAL 107 N -2.76 0.23 -0.44 3.82 1.01 -0.21 -4.58 120.40 117.47 2ds4 s VAL 107 Ca 0.55 0.03 -0.13 0.00 0.00 0.00 0.00 61.98 62.43 2ds4 s VAL 107 Cb -0.10 -0.30 0.06 0.00 0.00 0.00 0.00 36.38 36.04 2ds4 s VAL 107 CO 0.40 0.14 0.33 -0.89 0.00 0.00 0.00 175.10 175.08 2ds4 s THR 108 N 0.85 4.89 0.16 3.92 2.01 -1.24 0.19 115.64 126.42 2ds4 s THR 108 Ca -0.09 -1.10 -0.27 0.00 0.31 0.00 0.00 61.69 60.54 2ds4 s THR 108 Cb -0.12 -3.90 -0.08 0.00 0.01 0.00 0.00 72.50 68.41 2ds4 s THR 108 CO -0.01 -0.50 0.84 -0.69 -0.69 0.00 0.00 174.62 173.57 2ds4 s VAL 109 N 1.58 4.35 0.54 3.82 1.01 0.21 -1.96 120.40 129.95 2ds4 s VAL 109 Ca 0.04 1.84 0.05 0.00 0.00 0.00 0.00 61.98 63.91 2ds4 s VAL 109 Cb -0.23 -4.21 0.05 0.00 0.00 0.00 0.00 36.38 31.99 2ds4 s VAL 109 CO 0.06 0.47 0.38 0.54 0.00 0.00 0.00 175.10 176.55 2ds4 n ARG 110 N 1.88 0.69 -3.28 2.72 5.12 -0.30 -1.62 116.66 121.87 2ds4 n ARG 110 Ca -0.03 -3.42 -0.38 0.00 -1.93 0.00 0.00 57.85 52.08 2ds4 n ARG 110 Cb 0.48 0.40 -0.06 0.00 -1.16 0.00 0.00 32.46 32.13 2ds4 n ARG 110 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2ds4 s ARG 111 N -4.21 4.23 0.98 5.56 1.70 -1.26 0.30 118.95 126.26 2ds4 s ARG 111 Ca 0.29 0.64 -0.16 0.00 -0.47 0.00 0.00 55.73 56.02 2ds4 s ARG 111 Cb -0.02 -3.32 -0.12 0.00 -0.57 0.00 0.00 34.95 30.92 2ds4 s ARG 111 CO 0.18 0.44 -0.59 0.36 -1.08 0.00 0.00 175.30 174.61 2ds4 n LYS 112 N 2.54 -0.05 0.00 3.89 0.00 -1.26 -4.69 118.16 118.58 2ds4 n LYS 112 Ca -0.09 -0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.22 2ds4 n LYS 112 Cb 0.51 -1.15 0.00 0.00 -0.00 0.00 0.00 35.03 34.40 2ds4 n LYS 112 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01