#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 -0.16 0.44 1.61 0.01 -1.26 -5.17 113.70 109.17 2ds4 s SER 2 Ca 0.00 -0.35 -0.01 0.00 1.31 0.00 0.00 55.95 56.90 2ds4 s SER 2 Cb 0.00 0.44 -0.01 0.00 0.21 0.00 0.00 66.02 66.66 2ds4 s SER 2 CO 0.00 -0.80 0.68 -0.94 0.41 0.00 0.00 173.24 172.58 2ds4 s SER 3 N -2.72 5.95 0.45 2.44 1.04 -1.26 -4.92 113.70 114.69 2ds4 s SER 3 Ca 0.02 0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.88 2ds4 s SER 3 Cb 0.02 -1.73 0.00 0.00 0.10 0.00 0.00 66.02 64.42 2ds4 s SER 3 CO -0.11 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.09 2ds4 n GLY 4 N -2.08 0.80 4.18 7.32 0.00 -1.26 -4.55 105.19 109.60 2ds4 n GLY 4 Ca 0.00 -0.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 2ds4 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ds4 n SER 5 N 4.41 0.38 -0.33 1.61 3.41 -1.25 -4.73 113.62 117.12 2ds4 n SER 5 Ca 0.00 -1.16 0.24 0.00 -0.26 0.00 0.00 58.87 57.69 2ds4 n SER 5 Cb 0.00 -1.45 0.47 0.00 -0.26 0.00 0.00 64.21 62.96 2ds4 n SER 5 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2ds4 h SER 6 N -1.40 0.30 0.00 4.04 0.02 -1.93 -3.40 113.55 111.18 2ds4 h SER 6 Ca -0.59 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 2ds4 h SER 6 Cb 1.28 0.22 0.00 0.00 0.14 0.00 0.00 62.40 64.04 2ds4 h SER 6 CO 0.68 -0.25 0.00 0.61 -1.14 0.00 0.00 176.83 176.74 2ds4 n GLY 7 N -1.31 0.08 2.25 -3.77 0.00 -1.26 -5.13 105.19 96.05 2ds4 n GLY 7 Ca 0.31 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.22 2ds4 n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2ds4 n GLU 8 N -0.88 0.39 -2.88 1.61 0.28 -1.26 -5.06 120.64 112.85 2ds4 n GLU 8 Ca 0.00 -2.06 -0.38 0.00 -0.16 0.00 0.00 57.16 54.56 2ds4 n GLU 8 Cb 0.00 1.85 -0.06 0.00 1.43 0.00 0.00 31.44 34.66 2ds4 n GLU 8 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2ds4 s VAL 9 N -2.79 4.28 -0.07 3.84 0.11 -1.26 -2.65 120.40 121.86 2ds4 s VAL 9 Ca 0.23 1.75 0.03 0.00 -2.93 0.00 0.00 61.98 61.06 2ds4 s VAL 9 Cb 0.00 -4.07 0.01 0.00 -1.53 0.00 0.00 36.38 30.79 2ds4 s VAL 9 CO 0.16 0.31 -0.15 -0.62 -3.33 0.00 0.00 175.10 171.47 2ds4 s ASP 10 N -1.44 2.13 0.17 3.54 2.15 -0.84 -4.79 116.67 117.58 2ds4 s ASP 10 Ca 0.44 -0.37 -0.08 0.00 0.43 0.00 0.00 52.55 52.97 2ds4 s ASP 10 Cb -0.21 -0.96 0.04 0.00 -0.30 0.00 0.00 42.92 41.49 2ds4 s ASP 10 CO 0.25 0.07 1.51 1.55 -0.17 0.00 0.00 175.17 178.39 2ds4 h PRO 11 N 6.86 0.82 0.00 4.34 0.13 -1.88 -2.09 132.00 140.17 2ds4 h PRO 11 Ca -0.28 -0.43 -0.00 0.00 -0.87 0.00 0.00 66.00 64.42 2ds4 h PRO 11 Cb 1.20 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 2ds4 h PRO 11 CO 0.47 1.06 -0.02 0.00 -0.23 0.00 0.00 178.00 179.29 2ds4 h ALA 12 N 0.88 1.10 0.00 -0.56 0.00 -1.89 -2.05 119.26 116.74 2ds4 h ALA 12 Ca 0.05 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.62 2ds4 h ALA 12 Cb 0.97 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 2ds4 h ALA 12 CO 0.09 0.02 -2.00 1.63 0.00 0.00 0.00 179.25 178.99 2ds4 n LYS 13 N -3.25 0.66 -0.92 0.00 4.76 -1.10 -4.32 118.16 113.99 2ds4 n LYS 13 Ca -0.02 0.17 -0.34 0.00 -2.87 0.00 0.00 58.31 55.25 2ds4 n LYS 13 Cb 0.14 -1.68 0.10 0.00 -1.84 0.00 0.00 35.03 31.75 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 -2.26 0.00 0.05 0.00 -7.23 -0.90 -3.65 120.40 106.41 2ds4 s VAL 15 Ca 0.58 -1.67 0.07 0.00 -1.81 0.00 0.00 61.98 59.15 2ds4 s VAL 15 Cb -0.24 -2.60 -0.02 0.00 0.56 0.00 0.00 36.38 34.07 2ds4 s VAL 15 CO 0.66 0.00 -0.19 -0.76 -0.31 0.00 0.00 175.10 174.49 2ds4 s LEU 16 N -3.25 2.18 0.38 1.32 1.43 -1.26 -2.45 118.68 117.03 2ds4 s LEU 16 Ca 0.32 -0.52 0.08 0.00 -1.03 0.00 0.00 54.13 52.98 2ds4 s LEU 16 Cb 0.00 -0.89 -0.05 0.00 0.03 0.00 0.00 46.19 45.28 2ds4 s LEU 16 CO 0.21 0.13 0.15 -1.10 0.23 0.00 0.00 176.35 175.97 2ds4 s GLN 17 N -1.21 2.24 0.00 1.70 -1.52 0.11 -4.95 119.66 116.03 2ds4 s GLN 17 Ca 0.06 -1.76 0.00 0.00 -1.95 0.00 0.00 55.36 51.72 2ds4 s GLN 17 Cb -0.09 -2.03 0.00 0.00 -0.22 0.00 0.00 33.01 30.68 2ds4 s GLN 17 CO 0.02 -0.03 0.00 0.41 -0.25 0.00 0.00 175.29 175.44 2ds4 n GLY 18 N -1.18 3.58 3.79 3.09 0.00 -1.26 -3.79 105.19 109.42 2ds4 n GLY 18 Ca -0.02 -1.52 -0.37 0.00 0.00 0.00 0.00 46.02 44.12 2ds4 n GLY 18 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ds4 s GLU 19 N -5.00 4.45 -1.58 1.61 0.41 -1.26 -3.94 118.70 113.39 2ds4 s GLU 19 Ca 0.00 1.13 -0.08 0.00 -0.41 0.00 0.00 54.97 55.60 2ds4 s GLU 19 Cb 0.00 -2.90 0.07 0.00 -1.78 0.00 0.00 34.13 29.53 2ds4 s GLU 19 CO 0.00 0.37 0.45 -0.40 -0.49 0.00 0.00 175.26 175.19 2ds4 n ASP 20 N 0.77 -1.09 -0.18 -0.19 5.75 -1.26 -4.83 116.55 115.52 2ds4 n ASP 20 Ca -0.01 -1.10 -0.03 0.00 -0.01 0.00 0.00 54.79 53.64 2ds4 n ASP 20 Cb 0.50 -2.46 0.07 0.00 -1.03 0.00 0.00 41.12 38.20 2ds4 n ASP 20 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 2ds4 h LEU 21 N -1.62 0.38 -2.26 -2.12 3.38 -1.94 0.66 115.31 111.79 2ds4 h LEU 21 Ca -0.62 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.38 2ds4 h LEU 21 Cb 1.39 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2ds4 h LEU 21 CO 0.72 0.25 0.03 0.45 0.09 0.00 0.00 178.44 179.99 2ds4 h HIS 22 N 0.52 0.00 -3.20 1.13 3.86 -1.88 -3.41 115.15 112.18 2ds4 h HIS 22 Ca 0.25 0.00 -0.67 0.00 -1.16 0.00 0.00 60.37 58.79 2ds4 h HIS 22 Cb 0.18 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 28.51 2ds4 h HIS 22 CO -0.11 0.00 -0.59 1.03 0.86 0.00 0.00 177.93 179.12 2ds4 s ARG 23 N -3.89 3.16 0.16 2.45 3.00 0.22 -0.76 118.95 123.29 2ds4 s ARG 23 Ca -0.04 -0.36 -0.03 0.00 0.00 0.00 0.00 55.73 55.30 2ds4 s ARG 23 Cb 0.10 -2.90 -0.03 0.00 0.00 0.00 0.00 34.95 32.12 2ds4 s ARG 23 CO 0.31 0.67 0.14 0.00 0.00 0.00 0.00 175.30 176.42 2ds4 s ALA 24 N -0.78 0.70 0.19 2.13 0.00 0.34 -4.87 121.76 119.48 2ds4 s ALA 24 Ca 0.12 -1.38 0.10 0.00 0.00 0.00 0.00 51.96 50.81 2ds4 s ALA 24 Cb -0.12 1.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.97 2ds4 s ALA 24 CO 0.02 -0.57 -0.17 0.50 0.00 0.00 0.00 175.76 175.55 2ds4 s ARG 25 N -4.06 1.79 0.51 0.00 3.52 -1.26 -0.48 118.95 118.97 2ds4 s ARG 25 Ca 0.26 -1.40 -0.22 0.00 -0.13 0.00 0.00 55.73 54.24 2ds4 s ARG 25 Cb 0.06 -2.00 -0.06 0.00 -1.56 0.00 0.00 34.95 31.39 2ds4 s ARG 25 CO 0.04 0.42 1.28 -2.00 -0.81 0.00 0.00 175.30 174.23 2ds4 s GLU 26 N -2.77 3.41 -1.25 5.12 2.12 -0.95 -2.95 118.70 121.43 2ds4 s GLU 26 Ca 0.23 2.05 -0.10 0.00 0.36 0.00 0.00 54.97 57.51 2ds4 s GLU 26 Cb -0.08 -2.33 0.10 0.00 0.26 0.00 0.00 34.13 32.07 2ds4 s GLU 26 CO 0.13 -0.92 0.24 1.63 -0.54 0.00 0.00 175.26 175.80 2ds4 n LYS 27 N -0.78 -0.86 -5.13 4.30 4.76 0.86 -4.68 118.16 116.62 2ds4 n LYS 27 Ca 0.09 0.08 -0.31 0.00 -2.87 0.00 0.00 58.31 55.30 2ds4 n LYS 27 Cb 0.46 -3.02 -0.15 0.00 -1.84 0.00 0.00 35.03 30.48 2ds4 n LYS 27 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2ds4 s GLN 28 N -5.77 2.08 -0.82 1.97 2.00 -1.15 -4.93 119.66 113.03 2ds4 s GLN 28 Ca 0.34 -0.95 -0.25 0.00 -2.00 0.00 0.00 55.36 52.50 2ds4 s GLN 28 Cb -0.20 -2.07 0.05 0.00 0.80 0.00 0.00 33.01 31.59 2ds4 s GLN 28 CO 0.73 0.56 1.26 0.99 -0.50 0.00 0.00 175.29 178.33 2ds4 s THR 29 N -0.69 3.95 -0.31 -0.34 2.01 -1.26 -4.00 115.64 115.01 2ds4 s THR 29 Ca 0.11 -0.19 -0.11 0.00 0.31 0.00 0.00 61.69 61.81 2ds4 s THR 29 Cb -0.10 -4.91 -0.02 0.00 0.01 0.00 0.00 72.50 67.48 2ds4 s THR 29 CO 0.00 -1.79 0.18 0.00 -0.69 0.00 0.00 174.62 172.32 2ds4 s ALA 30 N 5.03 3.39 0.21 7.40 0.00 0.52 -4.90 121.76 133.40 2ds4 s ALA 30 Ca 0.36 -1.32 0.10 0.00 0.00 0.00 0.00 51.96 51.10 2ds4 s ALA 30 Cb -0.07 -2.47 -0.05 0.00 0.00 0.00 0.00 23.12 20.54 2ds4 s ALA 30 CO 0.05 -0.83 -0.19 -1.54 0.00 0.00 0.00 175.76 173.25 2ds4 s SER 31 N 1.67 3.09 0.19 0.00 1.04 -1.26 -0.93 113.70 117.50 2ds4 s SER 31 Ca 0.06 -0.94 -0.06 0.00 0.48 0.00 0.00 55.95 55.49 2ds4 s SER 31 Cb -0.17 -0.22 -0.02 0.00 0.10 0.00 0.00 66.02 65.71 2ds4 s SER 31 CO 0.08 -0.00 0.25 0.72 0.98 0.00 0.00 173.24 175.27 2ds4 s PHE 32 N -2.24 0.69 -0.19 5.02 -0.71 -0.35 -4.93 117.98 115.26 2ds4 s PHE 32 Ca 0.22 -1.01 -0.05 0.00 -1.04 0.00 0.00 56.93 55.05 2ds4 s PHE 32 Cb -0.05 -0.21 -0.03 0.00 -1.21 0.00 0.00 43.02 41.52 2ds4 s PHE 32 CO 0.10 -0.73 -0.01 0.99 -1.34 0.00 0.00 175.22 174.23 2ds4 s THR 33 N -4.05 4.01 -0.45 -4.49 2.01 -1.25 -2.64 115.64 108.79 2ds4 s THR 33 Ca 0.26 -0.30 -0.18 0.00 0.31 0.00 0.00 61.69 61.78 2ds4 s THR 33 Cb 0.04 -2.80 0.04 0.00 0.01 0.00 0.00 72.50 69.79 2ds4 s THR 33 CO 0.06 0.45 0.48 -0.22 -0.69 0.00 0.00 174.62 174.70 2ds4 s LEU 34 N 0.76 4.98 -0.15 4.42 2.96 -1.07 -0.71 118.68 129.87 2ds4 s LEU 34 Ca -0.00 -0.81 -0.26 0.00 -0.22 0.00 0.00 54.13 52.84 2ds4 s LEU 34 Cb -0.14 -2.39 -0.01 0.00 0.50 0.00 0.00 46.19 44.15 2ds4 s LEU 34 CO 0.02 -0.67 0.87 -0.76 -1.32 0.00 0.00 176.35 174.49 2ds4 s LEU 35 N 2.21 4.20 -0.23 -0.68 1.43 -1.03 -2.81 118.68 121.78 2ds4 s LEU 35 Ca 0.12 1.27 -0.09 0.00 -1.03 0.00 0.00 54.13 54.40 2ds4 s LEU 35 Cb -0.18 -3.32 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 2ds4 s LEU 35 CO 0.12 -0.40 0.12 0.00 0.23 0.00 0.00 176.35 176.42 2ds4 s LYS 37 N 0.98 2.15 0.68 0.00 3.01 -1.26 -3.78 119.74 121.52 2ds4 s LYS 37 Ca 0.06 -2.17 0.03 0.00 -1.01 0.00 0.00 55.97 52.88 2ds4 s LYS 37 Cb -0.14 -1.72 0.12 0.00 -1.01 0.00 0.00 37.83 35.09 2ds4 s LYS 37 CO 0.03 -0.27 0.93 0.16 0.51 0.00 0.00 175.35 176.72 2ds4 s ASP 38 N -3.89 4.56 0.58 2.83 -4.77 -0.57 -2.00 116.67 113.41 2ds4 s ASP 38 Ca 0.24 -0.60 0.28 0.00 -3.30 0.00 0.00 52.55 49.17 2ds4 s ASP 38 Cb 0.04 0.21 1.55 0.00 -1.09 0.00 0.00 42.92 43.63 2ds4 s ASP 38 CO 0.13 -1.73 2.01 0.00 0.70 0.00 0.00 175.17 176.28 2ds4 h ALA 39 N -0.30 2.04 0.00 2.11 0.00 -1.81 0.42 119.26 121.71 2ds4 h ALA 39 Ca -0.33 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2ds4 h ALA 39 Cb 1.27 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 2ds4 h ALA 39 CO 0.39 -0.50 -0.15 0.00 0.00 0.00 0.00 179.25 178.99 2ds4 h ALA 40 N 1.64 0.92 0.00 0.00 0.00 -1.93 -3.48 119.26 116.41 2ds4 h ALA 40 Ca 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2ds4 h ALA 40 Cb 0.82 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2ds4 h ALA 40 CO -0.00 0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.79 2ds4 n GLY 41 N 1.13 1.18 3.46 0.00 0.00 0.15 -5.09 105.19 106.01 2ds4 n GLY 41 Ca 0.03 -0.32 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.42 1.64 0.22 1.61 -1.05 -1.26 -4.81 118.70 113.62 2ds4 s GLU 42 Ca 0.00 -1.60 -0.31 0.00 -0.15 0.00 0.00 54.97 52.90 2ds4 s GLU 42 Cb 0.00 -1.84 -0.14 0.00 -0.44 0.00 0.00 34.13 31.70 2ds4 s GLU 42 CO 0.00 0.37 1.28 -0.89 0.95 0.00 0.00 175.26 176.98 2ds4 n ILE 43 N -0.12 1.03 -0.01 1.83 2.08 -1.26 -1.51 119.36 121.40 2ds4 n ILE 43 Ca -0.09 -0.26 0.06 0.00 0.56 0.00 0.00 62.75 63.02 2ds4 n ILE 43 Cb 0.58 -1.20 -0.10 0.00 -0.75 0.00 0.00 39.64 38.16 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 1.79 0.44 -4.04 0.38 0.00 -1.25 -3.79 117.12 110.65 2ds4 n MET 44 Ca 0.13 -0.11 -0.32 0.00 0.00 0.00 0.00 57.70 57.39 2ds4 n MET 44 Cb 0.29 -1.31 0.00 0.00 0.00 0.00 0.00 33.22 32.21 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 1.78 -0.47 3.17 3.17 0.00 -1.26 -4.50 105.19 107.08 2ds4 n GLY 45 Ca -0.03 0.17 -0.09 0.00 0.00 0.00 0.00 46.02 46.07 2ds4 n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2ds4 s ARG 46 N -6.73 0.92 0.00 1.61 0.52 -1.21 -4.73 118.95 109.32 2ds4 s ARG 46 Ca 0.67 -1.38 0.00 0.00 -0.52 0.00 0.00 55.73 54.50 2ds4 s ARG 46 Cb -0.35 0.26 0.00 0.00 0.52 0.00 0.00 34.95 35.38 2ds4 s ARG 46 CO 0.87 -0.26 0.00 0.41 0.02 0.00 0.00 175.30 176.33 2ds4 n GLY 47 N -0.09 4.38 0.56 -3.53 0.00 -1.24 -2.95 105.19 102.32 2ds4 n GLY 47 Ca -0.07 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 2.77 0.69 3.21 -0.02 0.00 -1.26 -4.95 105.19 105.63 2ds4 n GLY 48 Ca 0.00 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 2ds4 n GLY 48 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2ds4 s ASP 49 N -2.21 0.29 -0.63 1.61 1.47 -1.26 -5.09 116.67 110.85 2ds4 s ASP 49 Ca 0.00 -1.40 -0.17 0.00 1.18 0.00 0.00 52.55 52.16 2ds4 s ASP 49 Cb 0.00 0.36 0.13 0.00 -0.34 0.00 0.00 42.92 43.07 2ds4 s ASP 49 CO 0.00 -0.84 0.68 0.21 0.68 0.00 0.00 175.17 175.91 2ds4 s ASN 50 N -3.18 6.29 -0.19 2.11 2.47 -1.26 -5.04 114.94 116.14 2ds4 s ASN 50 Ca 0.39 -1.73 -0.12 0.00 0.42 0.00 0.00 52.86 51.82 2ds4 s ASN 50 Cb 0.07 -2.27 -0.05 0.00 -1.45 0.00 0.00 41.25 37.55 2ds4 s ASN 50 CO 0.13 -0.97 0.21 -0.69 -3.72 0.00 0.00 177.10 172.05 2ds4 s VAL 51 N 2.06 5.35 -0.14 -5.21 1.01 -1.26 -2.17 120.40 120.04 2ds4 s VAL 51 Ca 0.11 0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.46 2ds4 s VAL 51 Cb -0.23 -3.55 0.01 0.00 0.00 0.00 0.00 36.38 32.62 2ds4 s VAL 51 CO 0.02 0.40 -0.21 -1.10 0.00 0.00 0.00 175.10 174.22 2ds4 s GLN 52 N 0.54 2.86 -0.03 2.72 -0.21 -0.70 -5.04 119.66 119.81 2ds4 s GLN 52 Ca 0.12 -0.80 0.04 0.00 0.02 0.00 0.00 55.36 54.74 2ds4 s GLN 52 Cb -0.12 -2.34 -0.00 0.00 1.00 0.00 0.00 33.01 31.55 2ds4 s GLN 52 CO 0.01 -0.03 -0.14 0.08 -2.12 0.00 0.00 175.29 173.09 2ds4 s VAL 53 N 0.87 1.17 -0.29 1.09 1.01 -1.25 -2.75 120.40 120.25 2ds4 s VAL 53 Ca -0.06 -0.59 -0.14 0.00 0.00 0.00 0.00 61.98 61.19 2ds4 s VAL 53 Cb -0.15 -1.00 0.11 0.00 0.00 0.00 0.00 36.38 35.34 2ds4 s VAL 53 CO -0.02 0.34 0.74 0.00 0.00 0.00 0.00 175.10 176.15 2ds4 s ALA 54 N -0.04 -2.07 -0.22 5.51 0.00 -1.07 -4.99 121.76 118.87 2ds4 s ALA 54 Ca -0.00 2.34 -0.04 0.00 0.00 0.00 0.00 51.96 54.26 2ds4 s ALA 54 Cb -0.09 -1.65 -0.01 0.00 0.00 0.00 0.00 23.12 21.37 2ds4 s ALA 54 CO 0.01 -0.64 -0.04 0.08 0.00 0.00 0.00 175.76 175.17 2ds4 s VAL 55 N 2.16 3.38 -0.07 0.00 1.01 -1.26 -0.77 120.40 124.85 2ds4 s VAL 55 Ca -0.08 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.44 2ds4 s VAL 55 Cb -0.08 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 33.77 2ds4 s VAL 55 CO -0.19 0.42 -0.15 -0.69 0.00 0.00 0.00 175.10 174.49 2ds4 s VAL 56 N 1.47 1.36 0.16 2.92 1.01 -1.17 -3.21 120.40 122.95 2ds4 s VAL 56 Ca 0.06 -0.62 -0.30 0.00 0.00 0.00 0.00 61.98 61.11 2ds4 s VAL 56 Cb -0.14 -1.22 -0.08 0.00 0.00 0.00 0.00 36.38 34.94 2ds4 s VAL 56 CO -0.03 0.40 1.33 -2.16 0.00 0.00 0.00 175.10 174.64 2ds4 s PRO 57 N 0.50 4.37 0.63 2.72 0.04 -1.25 -1.91 135.00 140.10 2ds4 s PRO 57 Ca -0.14 2.04 0.38 0.00 0.04 0.00 0.00 61.00 63.32 2ds4 s PRO 57 Cb -0.16 -3.22 2.16 0.00 0.04 0.00 0.00 34.50 33.32 2ds4 s PRO 57 CO 0.05 -0.31 2.32 -0.22 0.04 0.00 0.00 177.00 178.87 2ds4 h LYS 58 N 5.96 0.00 0.01 4.56 3.64 -1.72 -2.50 116.57 126.52 2ds4 h LYS 58 Ca -0.44 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.94 2ds4 h LYS 58 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2ds4 h LYS 58 CO 0.81 0.00 -0.01 0.22 -2.27 0.00 0.00 179.45 178.20 2ds4 h ASP 59 N 0.00 -0.02 -3.47 4.20 3.58 -1.91 -3.44 116.42 115.36 2ds4 h ASP 59 Ca 0.00 -0.76 -0.65 0.00 0.42 0.00 0.00 57.03 56.03 2ds4 h ASP 59 Cb 0.00 0.00 -0.25 0.00 1.72 0.00 0.00 39.33 40.80 2ds4 h ASP 59 CO -0.00 0.79 -0.68 -0.54 -2.88 0.00 0.00 179.24 175.93 2ds4 s LYS 60 N -2.80 3.50 0.27 0.28 -0.14 -0.94 -4.98 119.74 114.93 2ds4 s LYS 60 Ca -0.17 -0.56 0.13 0.00 -1.36 0.00 0.00 55.97 54.01 2ds4 s LYS 60 Cb -0.01 -3.11 0.28 0.00 -1.68 0.00 0.00 37.83 33.31 2ds4 s LYS 60 CO 0.63 -0.15 1.55 1.57 -0.76 0.00 0.00 175.35 178.19 2ds4 h LYS 61 N 8.01 0.00 0.00 1.68 2.10 -1.86 -3.33 116.57 123.17 2ds4 h LYS 61 Ca -0.39 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.26 2ds4 h LYS 61 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 2ds4 h LYS 61 CO 0.60 0.61 -0.35 -0.25 -2.00 0.00 0.00 179.45 178.06 2ds4 n ASP 62 N -3.53 1.04 -2.83 7.07 8.00 -1.26 -4.86 116.55 120.18 2ds4 n ASP 62 Ca -0.00 0.40 -0.21 0.00 0.71 0.00 0.00 54.79 55.69 2ds4 n ASP 62 Cb 0.67 -0.69 -0.11 0.00 -0.02 0.00 0.00 41.12 40.97 2ds4 n ASP 62 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2ds4 n SER 63 N -3.60 -0.27 -3.36 -2.24 2.88 -1.26 -4.84 113.62 100.93 2ds4 n SER 63 Ca -0.05 -0.07 -0.25 0.00 -1.33 0.00 0.00 58.87 57.17 2ds4 n SER 63 Cb 0.18 -0.48 0.21 0.00 -0.75 0.00 0.00 64.21 63.37 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 4.57 -2.77 -3.90 -1.46 -0.04 -1.26 -4.34 135.00 125.80 2ds4 n PRO 64 Ca 0.42 -1.43 -0.15 0.00 -0.04 0.00 0.00 63.50 62.29 2ds4 n PRO 64 Cb 0.05 -1.34 -0.16 0.00 -0.04 0.00 0.00 33.50 32.01 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 -2.62 0.11 0.08 0.52 1.01 -1.20 -4.92 120.40 113.38 2ds4 s VAL 65 Ca 0.58 0.07 -0.31 0.00 0.00 0.00 0.00 61.98 62.33 2ds4 s VAL 65 Cb -0.06 -0.18 -0.09 0.00 0.00 0.00 0.00 36.38 36.05 2ds4 s VAL 65 CO 0.45 0.10 1.77 -0.13 0.00 0.00 0.00 175.10 177.29 2ds4 s ARG 66 N 0.74 4.16 0.31 2.72 3.00 -1.26 -4.66 118.95 123.95 2ds4 s ARG 66 Ca -0.07 2.47 0.04 0.00 0.00 0.00 0.00 55.73 58.17 2ds4 s ARG 66 Cb -0.10 -3.69 -0.06 0.00 0.00 0.00 0.00 34.95 31.10 2ds4 s ARG 66 CO -0.02 -0.82 0.04 0.95 0.00 0.00 0.00 175.30 175.46 2ds4 s THR 67 N 3.00 1.23 0.01 0.02 -4.23 -1.26 -3.17 115.64 111.22 2ds4 s THR 67 Ca 0.79 -2.02 -0.03 0.00 -1.18 0.00 0.00 61.69 59.25 2ds4 s THR 67 Cb -0.42 -2.72 -0.01 0.00 1.34 0.00 0.00 72.50 70.69 2ds4 s THR 67 CO 0.35 -0.06 0.05 -0.32 -0.54 0.00 0.00 174.62 174.10 2ds4 s MET 68 N -3.87 0.35 -0.12 3.99 1.75 0.19 -4.97 119.30 116.62 2ds4 s MET 68 Ca 0.35 -0.42 -0.04 0.00 -1.25 0.00 0.00 55.69 54.34 2ds4 s MET 68 Cb 0.08 0.14 0.06 0.00 2.84 0.00 0.00 34.83 37.95 2ds4 s MET 68 CO 0.14 -0.07 0.20 0.54 -0.65 0.00 0.00 175.02 175.18 2ds4 s VAL 69 N -1.20 -0.31 -0.56 10.11 0.11 -1.26 -1.84 120.40 125.45 2ds4 s VAL 69 Ca -0.13 0.24 -0.11 0.00 -2.93 0.00 0.00 61.98 59.05 2ds4 s VAL 69 Cb -0.08 -0.41 0.14 0.00 -1.53 0.00 0.00 36.38 34.51 2ds4 s VAL 69 CO 0.00 0.07 0.46 -1.58 -3.33 0.00 0.00 175.10 170.72 2ds4 s GLN 70 N 2.33 2.79 -0.08 1.54 0.74 0.28 -5.01 119.66 122.25 2ds4 s GLN 70 Ca 0.03 -1.93 -0.29 0.00 0.05 0.00 0.00 55.36 53.22 2ds4 s GLN 70 Cb -0.13 -4.08 -0.06 0.00 1.10 0.00 0.00 33.01 29.83 2ds4 s GLN 70 CO -0.08 -1.24 1.92 0.16 -0.55 0.00 0.00 175.29 175.50 2ds4 s ASP 71 N 2.66 6.24 -0.01 6.67 1.47 -1.26 -3.22 116.67 129.22 2ds4 s ASP 71 Ca 0.08 2.25 0.14 0.00 1.18 0.00 0.00 52.55 56.20 2ds4 s ASP 71 Cb -0.24 -2.53 -0.20 0.00 -0.34 0.00 0.00 42.92 39.61 2ds4 s ASP 71 CO -0.01 -1.28 0.38 0.59 0.68 0.00 0.00 175.17 175.53 2ds4 n ASN 72 N 8.57 1.48 -3.33 2.11 3.02 -1.26 -4.98 115.26 120.87 2ds4 n ASN 72 Ca 0.22 -0.21 -0.25 0.00 -0.03 0.00 0.00 54.58 54.31 2ds4 n ASN 72 Cb 0.43 1.49 -0.05 0.00 -0.61 0.00 0.00 39.78 41.04 2ds4 n ASN 72 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 2ds4 n LYS 73 N -1.83 -0.97 0.00 3.52 0.00 -1.26 -4.61 118.16 113.01 2ds4 n LYS 73 Ca -0.01 0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.38 2ds4 n LYS 73 Cb 0.33 -3.09 0.00 0.00 -0.00 0.00 0.00 35.03 32.27 2ds4 n LYS 73 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2ds4 n ASP 74 N -1.31 3.12 0.00 -5.58 2.03 -1.26 -3.63 116.55 109.92 2ds4 n ASP 74 Ca 0.07 -0.12 0.00 0.00 0.52 0.00 0.00 54.79 55.26 2ds4 n ASP 74 Cb 0.30 0.86 0.00 0.00 -0.72 0.00 0.00 41.12 41.56 2ds4 n ASP 74 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ds4 n GLY 75 N 1.80 1.31 2.93 0.27 0.00 -1.15 -3.35 105.19 107.00 2ds4 n GLY 75 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 0.78 0.36 2.61 -4.23 -1.26 -3.13 115.64 110.76 2ds4 s THR 76 Ca 0.00 -0.24 0.00 0.00 -1.18 0.00 0.00 61.69 60.27 2ds4 s THR 76 Cb 0.00 -0.77 -0.03 0.00 1.34 0.00 0.00 72.50 73.03 2ds4 s THR 76 CO 0.00 0.29 0.56 -0.31 -0.54 0.00 0.00 174.62 174.62 2ds4 s TYR 77 N 0.99 3.50 -0.28 3.99 1.51 -1.12 -4.50 117.35 121.43 2ds4 s TYR 77 Ca -0.09 0.37 0.02 0.00 -1.01 0.00 0.00 57.07 56.35 2ds4 s TYR 77 Cb -0.14 -1.92 0.08 0.00 -0.11 0.00 0.00 41.96 39.86 2ds4 s TYR 77 CO 0.00 0.09 -0.01 -0.47 -1.11 0.00 0.00 175.55 174.05 2ds4 s TYR 78 N -2.34 2.82 -0.01 2.71 5.04 -1.20 -2.58 117.35 121.79 2ds4 s TYR 78 Ca 0.40 -2.20 0.02 0.00 -2.44 0.00 0.00 57.07 52.86 2ds4 s TYR 78 Cb -0.10 -2.03 -0.03 0.00 0.35 0.00 0.00 41.96 40.15 2ds4 s TYR 78 CO 0.37 -0.86 -0.04 0.42 -1.34 0.00 0.00 175.55 174.10 2ds4 s ILE 79 N 1.24 3.84 -0.03 3.14 1.01 -1.08 -0.55 121.20 128.76 2ds4 s ILE 79 Ca 0.01 -0.65 -0.03 0.00 0.00 0.00 0.00 60.65 59.97 2ds4 s ILE 79 Cb -0.19 -2.66 0.01 0.00 0.01 0.00 0.00 42.46 39.63 2ds4 s ILE 79 CO -0.09 0.43 0.08 -0.94 0.00 0.00 0.00 174.94 174.42 2ds4 s SER 80 N -1.34 -0.08 0.02 3.58 1.04 -0.77 -1.22 113.70 114.94 2ds4 s SER 80 Ca 0.17 0.15 -0.05 0.00 0.48 0.00 0.00 55.95 56.70 2ds4 s SER 80 Cb -0.11 0.17 -0.01 0.00 0.10 0.00 0.00 66.02 66.16 2ds4 s SER 80 CO 0.07 -0.03 0.08 -0.72 0.98 0.00 0.00 173.24 173.62 2ds4 s TYR 81 N 0.01 0.17 -0.20 5.02 -0.85 -0.11 0.54 117.35 121.94 2ds4 s TYR 81 Ca -0.00 -0.41 -0.03 0.00 -0.52 0.00 0.00 57.07 56.11 2ds4 s TYR 81 Cb -0.01 -0.13 0.06 0.00 0.38 0.00 0.00 41.96 42.27 2ds4 s TYR 81 CO 0.00 -0.31 0.04 0.99 -1.52 0.00 0.00 175.55 174.76 2ds4 s THR 82 N -2.03 0.49 -0.77 -3.49 2.01 -1.19 -0.36 115.64 110.30 2ds4 s THR 82 Ca -0.10 -0.58 -0.25 0.00 0.31 0.00 0.00 61.69 61.07 2ds4 s THR 82 Cb -0.05 -1.03 -0.03 0.00 0.01 0.00 0.00 72.50 71.40 2ds4 s THR 82 CO -0.02 -0.25 1.91 -2.16 -0.69 0.00 0.00 174.62 173.41 2ds4 s PRO 83 N 1.87 2.59 0.48 4.92 0.04 -1.26 -4.53 135.00 139.12 2ds4 s PRO 83 Ca -0.00 0.13 0.33 0.00 0.04 0.00 0.00 61.00 61.50 2ds4 s PRO 83 Cb -0.17 -4.75 1.44 0.00 0.04 0.00 0.00 34.50 31.07 2ds4 s PRO 83 CO -0.09 -3.07 1.70 1.57 0.04 0.00 0.00 177.00 177.14 2ds4 h LYS 84 N 13.02 0.11 -4.92 4.56 2.10 -1.94 0.24 116.57 129.74 2ds4 h LYS 84 Ca -0.07 -0.01 -0.32 0.00 -2.00 0.00 0.00 60.65 58.26 2ds4 h LYS 84 Cb 1.08 -0.03 -0.19 0.00 -0.90 0.00 0.00 32.23 32.20 2ds4 h LYS 84 CO 1.21 0.07 -0.74 -1.21 -2.00 0.00 0.00 179.45 176.79 2ds4 s GLU 85 N -5.17 0.79 1.08 0.07 2.02 -1.26 -4.35 118.70 111.88 2ds4 s GLU 85 Ca -0.07 -1.08 -0.15 0.00 0.02 0.00 0.00 54.97 53.69 2ds4 s GLU 85 Cb 0.26 -0.51 0.23 0.00 0.10 0.00 0.00 34.13 34.21 2ds4 s GLU 85 CO 0.82 0.08 1.10 -1.25 0.02 0.00 0.00 175.26 176.03 2ds4 s PRO 86 N -2.54 -0.22 0.00 0.39 0.04 -1.26 -4.81 135.00 126.60 2ds4 s PRO 86 Ca 0.02 0.30 0.00 0.00 0.04 0.00 0.00 61.00 61.36 2ds4 s PRO 86 Cb -0.04 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.82 2ds4 s PRO 86 CO 0.00 -3.12 0.00 0.41 0.04 0.00 0.00 177.00 174.33 2ds4 n GLY 87 N -1.01 0.66 3.77 0.56 0.00 -0.42 -4.92 105.19 103.83 2ds4 n GLY 87 Ca 0.08 -2.31 -0.39 0.00 0.00 0.00 0.00 46.02 43.40 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 -0.67 4.84 0.31 1.61 0.11 -1.26 0.49 120.40 125.82 2ds4 s VAL 88 Ca 0.00 1.27 0.06 0.00 -2.93 0.00 0.00 61.98 60.38 2ds4 s VAL 88 Cb 0.00 -3.94 -0.06 0.00 -1.53 0.00 0.00 36.38 30.85 2ds4 s VAL 88 CO 0.00 0.45 -0.02 -0.31 -3.33 0.00 0.00 175.10 171.89 2ds4 s TYR 89 N -0.46 2.02 -0.26 1.54 1.51 0.98 -1.91 117.35 120.77 2ds4 s TYR 89 Ca 0.31 -0.76 -0.00 0.00 -1.01 0.00 0.00 57.07 55.61 2ds4 s TYR 89 Cb -0.19 -1.23 0.08 0.00 -0.11 0.00 0.00 41.96 40.51 2ds4 s TYR 89 CO 0.18 0.23 0.03 0.99 -1.11 0.00 0.00 175.55 175.87 2ds4 s THR 90 N -3.05 1.16 -0.22 -0.71 2.01 -0.80 -0.61 115.64 113.43 2ds4 s THR 90 Ca 0.32 -1.27 -0.29 0.00 0.31 0.00 0.00 61.69 60.76 2ds4 s THR 90 Cb 0.06 -1.69 0.01 0.00 0.01 0.00 0.00 72.50 70.89 2ds4 s THR 90 CO 0.14 -0.38 1.05 -0.69 -0.69 0.00 0.00 174.62 174.04 2ds4 s VAL 91 N 1.52 4.66 -0.49 3.82 1.01 -0.71 -3.06 120.40 127.14 2ds4 s VAL 91 Ca 0.03 2.00 -0.16 0.00 0.00 0.00 0.00 61.98 63.84 2ds4 s VAL 91 Cb -0.18 -4.29 0.08 0.00 0.00 0.00 0.00 36.38 31.99 2ds4 s VAL 91 CO -0.14 -0.16 0.46 0.26 0.00 0.00 0.00 175.10 175.52 2ds4 s TRP 92 N 3.14 3.21 -0.29 5.22 0.52 0.05 -2.98 118.94 127.81 2ds4 s TRP 92 Ca 0.45 -0.93 0.03 0.00 0.02 0.00 0.00 56.10 55.67 2ds4 s TRP 92 Cb -0.16 -3.36 0.07 0.00 -1.15 0.00 0.00 33.47 28.88 2ds4 s TRP 92 CO 0.07 -0.89 -0.04 0.08 0.02 0.00 0.00 176.95 176.19 2ds4 s VAL 93 N 1.82 2.29 0.03 4.03 1.01 -1.26 -2.61 120.40 125.72 2ds4 s VAL 93 Ca 0.06 -1.85 0.02 0.00 0.00 0.00 0.00 61.98 60.21 2ds4 s VAL 93 Cb -0.24 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.65 2ds4 s VAL 93 CO 0.07 -0.23 -0.08 0.00 0.00 0.00 0.00 175.10 174.86 2ds4 s ILE 95 N -1.06 1.57 -1.17 0.00 1.01 0.46 -1.73 121.20 120.28 2ds4 s ILE 95 Ca -0.06 -0.69 -0.05 0.00 0.00 0.00 0.00 60.65 59.86 2ds4 s ILE 95 Cb -0.08 -1.42 0.01 0.00 0.01 0.00 0.00 42.46 40.97 2ds4 s ILE 95 CO 0.00 0.45 1.01 0.29 0.00 0.00 0.00 174.94 176.69 2ds4 n LYS 96 N 4.16 -6.74 -3.55 2.79 5.02 -0.92 -2.57 118.16 116.36 2ds4 n LYS 96 Ca -0.19 0.76 -0.22 0.00 -2.02 0.00 0.00 58.31 56.64 2ds4 n LYS 96 Cb 0.51 -5.57 0.08 0.00 -0.02 0.00 0.00 35.03 30.04 2ds4 n LYS 96 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2ds4 n GLU 97 N -4.28 -7.45 -3.69 1.97 1.02 -1.26 -5.00 120.64 101.95 2ds4 n GLU 97 Ca -0.11 0.83 -0.10 0.00 -0.02 0.00 0.00 57.16 57.76 2ds4 n GLU 97 Cb 0.60 -5.87 -0.11 0.00 -0.02 0.00 0.00 31.44 26.04 2ds4 n GLU 97 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2ds4 s GLN 98 N -5.98 0.36 -0.28 3.49 -0.21 -1.06 -5.12 119.66 110.86 2ds4 s GLN 98 Ca 0.38 0.84 -0.29 0.00 0.02 0.00 0.00 55.36 56.31 2ds4 s GLN 98 Cb -0.17 0.06 -0.02 0.00 1.00 0.00 0.00 33.01 33.88 2ds4 s GLN 98 CO 0.73 -0.19 1.68 -1.01 -2.12 0.00 0.00 175.29 174.39 2ds4 s HIS 99 N 1.73 1.99 0.64 0.91 3.76 -1.26 -0.40 115.29 122.66 2ds4 s HIS 99 Ca -0.07 0.57 -0.10 0.00 -0.15 0.00 0.00 55.06 55.31 2ds4 s HIS 99 Cb -0.09 -4.07 0.15 0.00 1.11 0.00 0.00 32.58 29.67 2ds4 s HIS 99 CO -0.13 -2.91 0.34 1.33 -0.85 0.00 0.00 174.74 172.52 2ds4 n VAL 100 N 6.88 0.00 -2.61 -0.90 0.24 -1.16 -4.69 118.33 116.10 2ds4 n VAL 100 Ca 0.20 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 62.10 2ds4 n VAL 100 Cb 0.46 -0.38 -0.05 0.00 -1.47 0.00 0.00 33.84 32.40 2ds4 n VAL 100 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2ds4 s GLN 101 N -3.27 4.75 -1.36 7.34 -0.44 -1.11 -3.48 119.66 122.08 2ds4 s GLN 101 Ca 0.26 1.65 -0.02 0.00 -2.50 0.00 0.00 55.36 54.75 2ds4 s GLN 101 Cb -0.05 -3.24 0.00 0.00 -1.64 0.00 0.00 33.01 28.09 2ds4 s GLN 101 CO 0.22 0.36 0.27 0.41 0.50 0.00 0.00 175.29 177.05 2ds4 n GLY 102 N 1.35 -0.31 3.31 2.59 0.00 -1.26 -4.75 105.19 106.11 2ds4 n GLY 102 Ca -0.01 -0.10 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.52 -0.28 0.84 1.61 0.01 -1.23 -4.28 113.70 107.85 2ds4 s SER 103 Ca 0.14 0.12 -0.11 0.00 1.31 0.00 0.00 55.95 57.40 2ds4 s SER 103 Cb -0.06 0.38 0.10 0.00 0.21 0.00 0.00 66.02 66.65 2ds4 s SER 103 CO 0.17 -0.56 1.09 -2.16 0.41 0.00 0.00 173.24 172.19 2ds4 s PRO 104 N -1.82 1.70 0.06 12.44 0.04 -1.26 -4.55 135.00 141.62 2ds4 s PRO 104 Ca -0.10 0.98 0.04 0.00 0.04 0.00 0.00 61.00 61.96 2ds4 s PRO 104 Cb -0.03 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 2ds4 s PRO 104 CO 0.02 -1.97 -0.11 -0.59 0.04 0.00 0.00 177.00 174.38 2ds4 s PHE 105 N -2.92 1.00 0.36 0.56 -0.71 -1.16 -5.00 117.98 110.10 2ds4 s PHE 105 Ca 0.62 -0.50 -0.13 0.00 -1.04 0.00 0.00 56.93 55.89 2ds4 s PHE 105 Cb -0.18 -0.57 -0.08 0.00 -1.21 0.00 0.00 43.02 40.99 2ds4 s PHE 105 CO 0.57 -0.00 0.74 0.99 -1.34 0.00 0.00 175.22 176.18 2ds4 s THR 106 N -1.48 4.74 -0.07 -4.49 2.01 -1.26 -1.74 115.64 113.36 2ds4 s THR 106 Ca -0.04 0.77 -0.03 0.00 0.31 0.00 0.00 61.69 62.70 2ds4 s THR 106 Cb -0.09 -3.67 0.04 0.00 0.01 0.00 0.00 72.50 68.79 2ds4 s THR 106 CO 0.01 -0.34 0.12 -0.69 -0.69 0.00 0.00 174.62 173.04 2ds4 s VAL 107 N -2.16 -0.17 0.02 3.82 1.01 0.22 -4.58 120.40 118.55 2ds4 s VAL 107 Ca 0.52 0.33 -0.24 0.00 0.00 0.00 0.00 61.98 62.59 2ds4 s VAL 107 Cb -0.10 -0.24 -0.05 0.00 0.00 0.00 0.00 36.38 35.99 2ds4 s VAL 107 CO 0.24 0.14 0.72 0.28 0.00 0.00 0.00 175.10 176.48 2ds4 s THR 108 N 1.96 4.81 -0.42 3.92 -1.32 0.06 -0.02 115.64 124.63 2ds4 s THR 108 Ca 0.00 1.52 -0.07 0.00 -1.21 0.00 0.00 61.69 61.93 2ds4 s THR 108 Cb -0.12 -4.06 0.10 0.00 -1.51 0.00 0.00 72.50 66.90 2ds4 s THR 108 CO -0.05 0.36 0.25 -0.69 -2.21 0.00 0.00 174.62 172.28 2ds4 s VAL 109 N 0.04 3.87 0.82 5.08 1.01 0.18 0.13 120.40 131.53 2ds4 s VAL 109 Ca 0.37 -1.68 -0.14 0.00 0.00 0.00 0.00 61.98 60.53 2ds4 s VAL 109 Cb -0.20 -3.48 0.21 0.00 0.00 0.00 0.00 36.38 32.91 2ds4 s VAL 109 CO 0.21 -0.60 0.48 0.54 0.00 0.00 0.00 175.10 175.73 2ds4 n ARG 110 N 4.80 -3.55 -4.07 2.72 1.74 0.37 -1.30 116.66 117.37 2ds4 n ARG 110 Ca -0.08 -0.80 -0.35 0.00 -0.77 0.00 0.00 57.85 55.85 2ds4 n ARG 110 Cb 0.42 -1.06 -0.09 0.00 -1.02 0.00 0.00 32.46 30.72 2ds4 n ARG 110 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2ds4 s ARG 111 N -4.11 3.61 0.15 5.56 0.52 -1.26 -2.24 118.95 121.19 2ds4 s ARG 111 Ca 0.37 -0.31 -0.31 0.00 -0.52 0.00 0.00 55.73 54.96 2ds4 s ARG 111 Cb -0.07 -3.11 -0.11 0.00 0.52 0.00 0.00 34.95 32.19 2ds4 s ARG 111 CO 0.31 0.50 1.81 1.17 0.02 0.00 0.00 175.30 179.11 2ds4 n LYS 112 N 2.84 2.82 0.00 3.54 3.00 -1.26 -4.76 118.16 124.33 2ds4 n LYS 112 Ca -0.18 1.02 0.07 0.00 -0.00 0.00 0.00 58.31 59.22 2ds4 n LYS 112 Cb 0.53 -2.91 0.06 0.00 0.00 0.00 0.00 35.03 32.71 2ds4 n LYS 112 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01