#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 6.70 -0.38 1.61 0.15 -1.26 -5.02 113.70 115.49 2ds4 s SER 2 Ca 0.00 -2.52 -0.25 0.00 0.70 0.00 0.00 55.95 53.88 2ds4 s SER 2 Cb 0.00 -2.24 0.01 0.00 -1.71 0.00 0.00 66.02 62.09 2ds4 s SER 2 CO 0.00 -0.67 0.88 -0.94 1.20 0.00 0.00 173.24 173.71 2ds4 s SER 3 N 2.48 6.61 0.00 5.45 1.04 -1.26 -4.93 113.70 123.10 2ds4 s SER 3 Ca 0.19 0.45 0.00 0.00 0.48 0.00 0.00 55.95 57.06 2ds4 s SER 3 Cb -0.11 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.57 2ds4 s SER 3 CO -0.08 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 173.91 2ds4 n GLY 4 N 4.50 3.08 3.32 7.32 0.00 -1.26 -5.04 105.19 117.10 2ds4 n GLY 4 Ca 0.06 -0.33 -0.17 0.00 0.00 0.00 0.00 46.02 45.58 2ds4 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ds4 s SER 5 N 1.00 1.22 -0.18 1.61 0.15 -1.26 -4.53 113.70 111.71 2ds4 s SER 5 Ca 0.00 -1.43 -0.07 0.00 0.70 0.00 0.00 55.95 55.15 2ds4 s SER 5 Cb 0.00 0.24 -0.09 0.00 -1.71 0.00 0.00 66.02 64.46 2ds4 s SER 5 CO 0.00 -0.78 -0.22 -1.20 1.20 0.00 0.00 173.24 172.24 2ds4 n SER 6 N -0.58 1.61 0.00 5.45 7.64 -1.26 -5.10 113.62 121.38 2ds4 n SER 6 Ca 0.00 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.04 2ds4 n SER 6 Cb 0.66 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 2ds4 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ds4 n GLY 7 N 2.02 4.74 3.94 0.23 0.00 -1.26 -5.14 105.19 109.72 2ds4 n GLY 7 Ca -0.35 -0.65 -0.25 0.00 0.00 0.00 0.00 46.02 44.76 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 3.60 2.24 0.03 1.61 1.03 -1.26 -4.99 118.70 120.96 2ds4 s GLU 8 Ca 0.00 -1.99 -0.17 0.00 0.03 0.00 0.00 54.97 52.84 2ds4 s GLU 8 Cb 0.00 -2.19 -0.06 0.00 -0.80 0.00 0.00 34.13 31.08 2ds4 s GLU 8 CO 0.00 -0.72 0.49 0.54 -1.33 0.00 0.00 175.26 174.24 2ds4 s VAL 9 N -2.78 4.89 -0.04 1.83 0.11 -1.26 -2.35 120.40 120.80 2ds4 s VAL 9 Ca 0.38 1.04 0.05 0.00 -2.93 0.00 0.00 61.98 60.52 2ds4 s VAL 9 Cb -0.03 -3.81 -0.01 0.00 -1.53 0.00 0.00 36.38 31.00 2ds4 s VAL 9 CO 0.24 0.55 -0.18 -0.62 -3.33 0.00 0.00 175.10 171.76 2ds4 s ASP 10 N -0.99 2.26 0.16 3.54 2.15 -0.69 -4.81 116.67 118.30 2ds4 s ASP 10 Ca 0.27 -0.36 -0.09 0.00 0.43 0.00 0.00 52.55 52.79 2ds4 s ASP 10 Cb -0.18 -0.52 0.02 0.00 -0.30 0.00 0.00 42.92 41.94 2ds4 s ASP 10 CO 0.16 0.19 1.50 1.55 -0.17 0.00 0.00 175.17 178.40 2ds4 h PRO 11 N 6.06 0.86 0.00 4.34 0.13 -1.87 -2.26 132.00 139.26 2ds4 h PRO 11 Ca -0.34 -0.45 -0.01 0.00 -0.87 0.00 0.00 66.00 64.33 2ds4 h PRO 11 Cb 1.17 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2ds4 h PRO 11 CO 0.48 1.09 -0.05 0.00 -0.23 0.00 0.00 178.00 179.29 2ds4 h ALA 12 N 0.85 1.36 0.00 -0.56 0.00 -1.89 -1.71 119.26 117.30 2ds4 h ALA 12 Ca 0.06 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 2ds4 h ALA 12 Cb 0.97 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2ds4 h ALA 12 CO 0.09 0.07 -1.45 1.63 0.00 0.00 0.00 179.25 179.59 2ds4 n LYS 13 N -3.68 0.62 -0.62 0.00 4.76 -1.12 -4.31 118.16 113.82 2ds4 n LYS 13 Ca -0.02 0.18 -0.30 0.00 -2.87 0.00 0.00 58.31 55.29 2ds4 n LYS 13 Cb 0.15 -1.78 0.19 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 -2.54 0.01 -0.05 0.00 -7.23 -1.23 -4.04 120.40 105.33 2ds4 s VAL 15 Ca 0.66 -1.52 0.04 0.00 -1.81 0.00 0.00 61.98 59.35 2ds4 s VAL 15 Cb -0.23 -2.20 -0.00 0.00 0.56 0.00 0.00 36.38 34.50 2ds4 s VAL 15 CO 0.61 -0.05 -0.17 -0.76 -0.31 0.00 0.00 175.10 174.43 2ds4 s LEU 16 N -3.04 1.91 0.35 1.32 1.43 -1.26 -2.00 118.68 117.39 2ds4 s LEU 16 Ca 0.25 -0.36 0.07 0.00 -1.03 0.00 0.00 54.13 53.07 2ds4 s LEU 16 Cb 0.02 -0.98 -0.02 0.00 0.03 0.00 0.00 46.19 45.25 2ds4 s LEU 16 CO 0.08 0.15 0.40 -1.10 0.23 0.00 0.00 176.35 176.11 2ds4 s GLN 17 N 0.08 2.89 0.00 1.70 -1.52 0.46 -4.98 119.66 118.29 2ds4 s GLN 17 Ca -0.05 -1.19 0.00 0.00 -1.95 0.00 0.00 55.36 52.17 2ds4 s GLN 17 Cb -0.12 -2.64 0.00 0.00 -0.22 0.00 0.00 33.01 30.03 2ds4 s GLN 17 CO 0.02 0.02 0.00 0.41 -0.25 0.00 0.00 175.29 175.49 2ds4 n GLY 18 N -1.55 4.05 3.66 3.09 0.00 -1.26 -3.31 105.19 109.87 2ds4 n GLY 18 Ca 0.00 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 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 -4.55 4.21 -1.12 1.61 8.01 -1.26 -3.08 118.70 122.51 2ds4 s GLU 19 Ca 0.00 2.04 -0.01 0.00 0.01 0.00 0.00 54.97 57.01 2ds4 s GLU 19 Cb 0.00 -3.87 -0.01 0.00 -4.31 0.00 0.00 34.13 25.94 2ds4 s GLU 19 CO 0.00 -0.78 0.94 -0.25 0.01 0.00 0.00 175.26 175.18 2ds4 n ASP 20 N 6.74 -2.47 0.29 -0.19 8.00 -1.26 -4.85 116.55 122.81 2ds4 n ASP 20 Ca 0.16 -0.60 0.16 0.00 0.71 0.00 0.00 54.79 55.23 2ds4 n ASP 20 Cb 0.43 -4.89 0.87 0.00 -0.02 0.00 0.00 41.12 37.51 2ds4 n ASP 20 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2ds4 h LEU 21 N -1.72 0.00 -3.24 0.64 3.38 -1.91 0.30 115.31 112.77 2ds4 h LEU 21 Ca -0.56 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.32 2ds4 h LEU 21 Cb 1.32 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.01 2ds4 h LEU 21 CO 0.47 0.00 0.12 1.41 0.09 0.00 0.00 178.44 180.52 2ds4 n HIS 22 N -2.75 1.91 -4.08 1.13 8.25 -1.26 -4.85 115.22 113.57 2ds4 n HIS 22 Ca -0.02 -0.82 -0.14 0.00 -0.26 0.00 0.00 57.72 56.48 2ds4 n HIS 22 Cb 0.21 -0.53 -0.14 0.00 1.12 0.00 0.00 29.99 30.65 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 -2.52 0.33 0.16 -0.41 6.06 0.11 -3.62 118.95 119.06 2ds4 s ARG 23 Ca 0.46 -0.20 -0.12 0.00 -2.50 0.00 0.00 55.73 53.36 2ds4 s ARG 23 Cb 0.36 -0.29 0.01 0.00 0.06 0.00 0.00 34.95 35.09 2ds4 s ARG 23 CO 0.12 0.08 0.35 0.00 -2.50 0.00 0.00 175.30 173.35 2ds4 s ALA 24 N -0.24 -0.36 -0.03 6.12 0.00 -0.20 -4.89 121.76 122.15 2ds4 s ALA 24 Ca -0.00 -0.60 0.04 0.00 0.00 0.00 0.00 51.96 51.40 2ds4 s ALA 24 Cb -0.02 0.80 -0.00 0.00 0.00 0.00 0.00 23.12 23.89 2ds4 s ALA 24 CO -0.00 -0.67 -0.15 0.50 0.00 0.00 0.00 175.76 175.44 2ds4 s ARG 25 N -3.91 1.46 0.34 0.00 6.06 -1.26 -1.48 118.95 120.15 2ds4 s ARG 25 Ca 0.12 -0.52 -0.24 0.00 -2.50 0.00 0.00 55.73 52.59 2ds4 s ARG 25 Cb 0.02 -1.32 -0.15 0.00 0.06 0.00 0.00 34.95 33.56 2ds4 s ARG 25 CO -0.03 0.23 0.36 -1.91 -2.50 0.00 0.00 175.30 171.45 2ds4 n GLU 26 N 3.08 0.18 -4.19 5.12 4.07 0.18 -1.30 120.64 127.78 2ds4 n GLU 26 Ca -0.17 0.06 -0.33 0.00 -0.06 0.00 0.00 57.16 56.66 2ds4 n GLU 26 Cb 0.54 -1.14 -0.07 0.00 -0.06 0.00 0.00 31.44 30.71 2ds4 n GLU 26 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 2ds4 n LYS 27 N 1.05 -0.79 -4.60 5.31 5.02 -0.04 -4.63 118.16 119.48 2ds4 n LYS 27 Ca 0.13 0.07 -0.25 0.00 -2.02 0.00 0.00 58.31 56.25 2ds4 n LYS 27 Cb 0.35 -3.14 -0.14 0.00 -0.02 0.00 0.00 35.03 32.08 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 -7.19 1.32 -0.62 1.97 2.00 -0.42 -4.98 119.66 111.73 2ds4 s GLN 28 Ca 0.10 -0.91 -0.22 0.00 -2.00 0.00 0.00 55.36 52.33 2ds4 s GLN 28 Cb -0.06 -1.42 0.07 0.00 0.80 0.00 0.00 33.01 32.40 2ds4 s GLN 28 CO 0.94 0.36 0.90 0.99 -0.50 0.00 0.00 175.29 177.98 2ds4 s THR 29 N -0.80 4.45 -0.27 -0.34 2.01 -1.26 -4.02 115.64 115.41 2ds4 s THR 29 Ca 0.07 -0.36 -0.11 0.00 0.31 0.00 0.00 61.69 61.59 2ds4 s THR 29 Cb -0.09 -4.60 -0.05 0.00 0.01 0.00 0.00 72.50 67.77 2ds4 s THR 29 CO 0.02 -1.30 0.19 0.00 -0.69 0.00 0.00 174.62 172.84 2ds4 s ALA 30 N 3.73 3.55 -0.02 7.40 0.00 -0.46 -4.94 121.76 131.02 2ds4 s ALA 30 Ca 0.21 -1.04 0.05 0.00 0.00 0.00 0.00 51.96 51.18 2ds4 s ALA 30 Cb -0.17 -2.46 -0.01 0.00 0.00 0.00 0.00 23.12 20.47 2ds4 s ALA 30 CO 0.11 -0.49 -0.18 -1.54 0.00 0.00 0.00 175.76 173.66 2ds4 s SER 31 N 1.63 2.15 0.10 0.00 1.04 -1.26 -1.10 113.70 116.26 2ds4 s SER 31 Ca 0.07 -0.33 0.02 0.00 0.48 0.00 0.00 55.95 56.19 2ds4 s SER 31 Cb -0.16 -0.29 -0.04 0.00 0.10 0.00 0.00 66.02 65.64 2ds4 s SER 31 CO 0.10 0.22 -0.07 0.72 0.98 0.00 0.00 173.24 175.18 2ds4 s PHE 32 N -0.37 0.94 -0.23 5.02 -0.71 -0.95 -4.91 117.98 116.77 2ds4 s PHE 32 Ca 0.06 -0.86 -0.08 0.00 -1.04 0.00 0.00 56.93 55.00 2ds4 s PHE 32 Cb -0.08 -0.53 -0.04 0.00 -1.21 0.00 0.00 43.02 41.17 2ds4 s PHE 32 CO -0.00 -0.11 0.09 0.99 -1.34 0.00 0.00 175.22 174.85 2ds4 s THR 33 N -3.42 4.69 -0.44 -4.49 2.01 -1.21 -3.05 115.64 109.74 2ds4 s THR 33 Ca 0.11 -0.05 -0.16 0.00 0.31 0.00 0.00 61.69 61.90 2ds4 s THR 33 Cb 0.04 -3.18 0.04 0.00 0.01 0.00 0.00 72.50 69.41 2ds4 s THR 33 CO -0.04 0.36 0.36 -0.22 -0.69 0.00 0.00 174.62 174.40 2ds4 s LEU 34 N 1.25 5.30 0.53 4.42 2.96 -1.05 -0.40 118.68 131.70 2ds4 s LEU 34 Ca 0.05 -1.06 -0.13 0.00 -0.22 0.00 0.00 54.13 52.77 2ds4 s LEU 34 Cb -0.14 -2.20 -0.06 0.00 0.50 0.00 0.00 46.19 44.29 2ds4 s LEU 34 CO 0.04 -0.56 0.96 -0.76 -1.32 0.00 0.00 176.35 174.71 2ds4 s LEU 35 N 1.74 3.52 -0.18 -0.68 1.43 -0.85 -2.25 118.68 121.41 2ds4 s LEU 35 Ca 0.06 1.41 0.00 0.00 -1.03 0.00 0.00 54.13 54.57 2ds4 s LEU 35 Cb -0.21 -4.38 0.04 0.00 0.03 0.00 0.00 46.19 41.67 2ds4 s LEU 35 CO 0.09 -0.66 -0.09 0.00 0.23 0.00 0.00 176.35 175.92 2ds4 s LYS 37 N 1.49 2.13 0.81 0.00 3.01 -1.26 -3.93 119.74 121.98 2ds4 s LYS 37 Ca 0.00 -1.46 -0.10 0.00 -1.01 0.00 0.00 55.97 53.39 2ds4 s LYS 37 Cb -0.16 -2.08 0.18 0.00 -1.01 0.00 0.00 37.83 34.76 2ds4 s LYS 37 CO -0.08 0.37 1.10 -0.40 0.51 0.00 0.00 175.35 176.85 2ds4 n ASP 38 N -0.69 0.45 0.14 2.83 5.75 -0.95 -1.70 116.55 122.38 2ds4 n ASP 38 Ca -0.07 -1.62 0.10 0.00 -0.01 0.00 0.00 54.79 53.18 2ds4 n ASP 38 Cb 0.59 -0.81 0.50 0.00 -1.03 0.00 0.00 41.12 40.37 2ds4 n ASP 38 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2ds4 n ALA 39 N -3.50 1.11 0.75 2.12 0.00 -0.99 -0.42 120.51 119.58 2ds4 n ALA 39 Ca -0.18 0.16 0.12 0.00 0.00 0.00 0.00 53.44 53.55 2ds4 n ALA 39 Cb 0.52 -1.28 0.26 0.00 0.00 0.00 0.00 19.45 18.95 2ds4 n ALA 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ds4 n ALA 40 N -1.74 3.03 -2.01 0.00 0.00 -1.26 -4.95 120.51 113.58 2ds4 n ALA 40 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2ds4 n ALA 40 Cb 0.05 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.30 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 1.40 0.41 3.31 0.00 0.00 0.44 -5.06 105.19 105.69 2ds4 n GLY 41 Ca 0.04 -0.87 -0.17 0.00 0.00 0.00 0.00 46.02 45.02 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 -4.02 1.24 0.22 1.61 -1.05 -1.26 -4.90 118.70 110.54 2ds4 s GLU 42 Ca 0.00 -1.55 -0.32 0.00 -0.15 0.00 0.00 54.97 52.95 2ds4 s GLU 42 Cb 0.00 -0.89 -0.12 0.00 -0.44 0.00 0.00 34.13 32.68 2ds4 s GLU 42 CO 0.00 0.11 1.71 -0.89 0.95 0.00 0.00 175.26 177.15 2ds4 n ILE 43 N -0.32 0.15 -0.09 1.83 2.08 -1.26 -2.23 119.36 119.51 2ds4 n ILE 43 Ca -0.08 -0.04 -0.16 0.00 0.56 0.00 0.00 62.75 63.03 2ds4 n ILE 43 Cb 0.61 -2.00 -0.14 0.00 -0.75 0.00 0.00 39.64 37.37 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 3.72 0.68 -2.34 0.38 0.00 -1.25 -4.84 117.12 113.45 2ds4 n MET 44 Ca 0.15 0.13 0.00 0.00 0.00 0.00 0.00 57.70 57.98 2ds4 n MET 44 Cb 0.35 -1.57 0.00 0.00 0.00 0.00 0.00 33.22 32.01 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 2.03 0.94 3.52 3.17 0.00 -1.26 -3.99 105.19 109.60 2ds4 n GLY 45 Ca -0.38 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 2ds4 n GLY 45 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2ds4 s ARG 46 N -4.69 0.91 0.00 1.61 1.70 -1.26 -4.81 118.95 112.41 2ds4 s ARG 46 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 55.73 55.29 2ds4 s ARG 46 Cb 0.00 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.80 2ds4 s ARG 46 CO 0.00 -0.32 0.00 0.41 -1.08 0.00 0.00 175.30 174.31 2ds4 n GLY 47 N 0.49 0.35 3.52 3.88 0.00 -1.06 -3.49 105.19 108.88 2ds4 n GLY 47 Ca -0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 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 4.72 -0.95 3.29 -0.02 0.00 -1.26 -4.87 105.19 106.10 2ds4 n GLY 48 Ca 0.00 0.45 -0.11 0.00 0.00 0.00 0.00 46.02 46.37 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 -3.57 0.11 -0.40 1.61 1.01 -1.26 -5.10 116.67 109.06 2ds4 s ASP 49 Ca 0.40 -1.23 -0.02 0.00 0.71 0.00 0.00 52.55 52.41 2ds4 s ASP 49 Cb -0.10 0.42 0.11 0.00 1.01 0.00 0.00 42.92 44.35 2ds4 s ASP 49 CO 0.81 -0.90 0.18 0.20 0.21 0.00 0.00 175.17 175.67 2ds4 s ASN 50 N -3.10 5.18 -0.25 0.27 0.01 -1.26 -5.02 114.94 110.77 2ds4 s ASN 50 Ca 0.32 -2.04 -0.20 0.00 -0.71 0.00 0.00 52.86 50.22 2ds4 s ASN 50 Cb 0.05 -1.80 -0.02 0.00 0.41 0.00 0.00 41.25 39.89 2ds4 s ASN 50 CO 0.09 -0.52 0.63 -0.69 -1.51 0.00 0.00 177.10 175.11 2ds4 s VAL 51 N 1.11 4.98 -0.30 1.60 1.01 -1.26 -2.71 120.40 124.83 2ds4 s VAL 51 Ca 0.08 1.14 -0.10 0.00 0.00 0.00 0.00 61.98 63.11 2ds4 s VAL 51 Cb -0.22 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 2ds4 s VAL 51 CO -0.05 0.03 0.15 -1.10 0.00 0.00 0.00 175.10 174.13 2ds4 s GLN 52 N 2.50 3.50 -0.09 2.72 -0.21 -0.45 -5.00 119.66 122.63 2ds4 s GLN 52 Ca 0.26 -0.61 0.03 0.00 0.02 0.00 0.00 55.36 55.06 2ds4 s GLN 52 Cb -0.15 -3.55 -0.02 0.00 1.00 0.00 0.00 33.01 30.28 2ds4 s GLN 52 CO 0.08 -0.34 -0.16 0.08 -2.12 0.00 0.00 175.29 172.83 2ds4 s VAL 53 N 1.65 2.85 -0.27 1.09 1.01 -1.25 -2.65 120.40 122.82 2ds4 s VAL 53 Ca 0.05 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 2ds4 s VAL 53 Cb -0.17 -2.14 0.15 0.00 0.00 0.00 0.00 36.38 34.23 2ds4 s VAL 53 CO 0.07 0.56 0.51 0.00 0.00 0.00 0.00 175.10 176.24 2ds4 s ALA 54 N -0.16 -1.71 -0.20 5.51 0.00 -0.91 -4.98 121.76 119.31 2ds4 s ALA 54 Ca -0.01 1.54 -0.05 0.00 0.00 0.00 0.00 51.96 53.43 2ds4 s ALA 54 Cb -0.14 -1.87 -0.03 0.00 0.00 0.00 0.00 23.12 21.09 2ds4 s ALA 54 CO 0.03 -1.20 0.00 0.08 0.00 0.00 0.00 175.76 174.68 2ds4 s VAL 55 N 2.73 4.02 -0.02 0.00 1.01 -1.26 -0.80 120.40 126.08 2ds4 s VAL 55 Ca 0.13 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.84 2ds4 s VAL 55 Cb -0.15 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.42 2ds4 s VAL 55 CO -0.18 0.43 -0.09 -0.69 0.00 0.00 0.00 175.10 174.57 2ds4 s VAL 56 N 0.93 0.77 0.20 2.92 1.01 -0.79 -3.34 120.40 122.10 2ds4 s VAL 56 Ca 0.01 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.33 2ds4 s VAL 56 Cb -0.14 -0.68 -0.09 0.00 0.00 0.00 0.00 36.38 35.47 2ds4 s VAL 56 CO 0.02 0.24 1.30 -2.16 0.00 0.00 0.00 175.10 174.50 2ds4 s PRO 57 N 0.13 4.39 0.34 2.72 0.04 -1.26 -0.79 135.00 140.57 2ds4 s PRO 57 Ca -0.02 2.05 0.26 0.00 0.04 0.00 0.00 61.00 63.33 2ds4 s PRO 57 Cb -0.08 -3.19 1.19 0.00 0.04 0.00 0.00 34.50 32.46 2ds4 s PRO 57 CO 0.00 -0.24 1.77 -0.22 0.04 0.00 0.00 177.00 178.36 2ds4 h LYS 58 N 5.31 0.00 0.08 4.56 3.64 -1.78 -3.06 116.57 125.32 2ds4 h LYS 58 Ca -0.45 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2ds4 h LYS 58 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2ds4 h LYS 58 CO 0.77 0.00 -0.04 -0.44 -2.27 0.00 0.00 179.45 177.47 2ds4 h ASP 59 N 0.00 -0.09 -3.14 4.20 3.32 -1.91 -3.46 116.42 115.34 2ds4 h ASP 59 Ca 0.00 -0.30 -0.64 0.00 0.02 0.00 0.00 57.03 56.12 2ds4 h ASP 59 Cb 0.24 0.02 -0.08 0.00 0.22 0.00 0.00 39.33 39.73 2ds4 h ASP 59 CO 0.00 0.53 -0.58 -0.54 -1.72 0.00 0.00 179.24 176.93 2ds4 s LYS 60 N -2.26 2.97 0.00 3.56 -0.14 -1.16 -5.01 119.74 117.71 2ds4 s LYS 60 Ca -0.08 -0.65 0.24 0.00 -1.36 0.00 0.00 55.97 54.13 2ds4 s LYS 60 Cb -0.01 -2.78 0.26 0.00 -1.68 0.00 0.00 37.83 33.62 2ds4 s LYS 60 CO 0.28 0.57 1.30 0.36 -0.76 0.00 0.00 175.35 177.10 2ds4 n LYS 61 N 0.45 2.25 0.03 1.68 2.85 -1.26 -4.24 118.16 119.92 2ds4 n LYS 61 Ca -0.08 -1.83 -0.00 0.00 -1.05 0.00 0.00 58.31 55.35 2ds4 n LYS 61 Cb 0.51 -1.46 -0.00 0.00 -0.65 0.00 0.00 35.03 33.43 2ds4 n LYS 61 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2ds4 n ASP 62 N 1.22 0.86 -3.02 -5.58 2.03 -1.26 -4.98 116.55 105.82 2ds4 n ASP 62 Ca 0.14 0.11 -0.23 0.00 0.52 0.00 0.00 54.79 55.33 2ds4 n ASP 62 Cb 0.58 -0.27 -0.12 0.00 -0.72 0.00 0.00 41.12 40.59 2ds4 n ASP 62 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2ds4 n SER 63 N -3.28 -0.21 -3.50 1.67 2.88 -1.26 -4.84 113.62 105.09 2ds4 n SER 63 Ca -0.00 -0.04 -0.28 0.00 -1.33 0.00 0.00 58.87 57.21 2ds4 n SER 63 Cb 0.02 -0.53 0.24 0.00 -0.75 0.00 0.00 64.21 63.18 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 5.03 -3.04 -3.77 -1.46 -0.04 -1.26 -4.27 135.00 126.18 2ds4 n PRO 64 Ca 0.45 -1.66 -0.26 0.00 -0.04 0.00 0.00 63.50 61.99 2ds4 n PRO 64 Cb 0.05 -1.55 -0.17 0.00 -0.04 0.00 0.00 33.50 31.79 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 -2.88 0.55 -0.42 0.52 1.01 -1.21 -4.91 120.40 113.06 2ds4 s VAL 65 Ca 0.67 -0.31 -0.31 0.00 0.00 0.00 0.00 61.98 62.03 2ds4 s VAL 65 Cb -0.07 -0.88 -0.10 0.00 0.00 0.00 0.00 36.38 35.33 2ds4 s VAL 65 CO 0.52 0.02 2.31 0.54 0.00 0.00 0.00 175.10 178.49 2ds4 n ARG 66 N 5.06 1.17 -4.14 2.72 5.12 -1.26 -4.71 116.66 120.62 2ds4 n ARG 66 Ca -0.09 0.24 -0.24 0.00 -1.93 0.00 0.00 57.85 55.83 2ds4 n ARG 66 Cb 0.48 -2.83 -0.07 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 9.11 2.63 -0.04 0.55 -4.23 -1.26 -3.28 115.64 119.13 2ds4 s THR 67 Ca 1.07 -1.74 -0.03 0.00 -1.18 0.00 0.00 61.69 59.81 2ds4 s THR 67 Cb -0.58 -2.95 0.01 0.00 1.34 0.00 0.00 72.50 70.32 2ds4 s THR 67 CO 0.39 -0.10 0.10 -0.32 -0.54 0.00 0.00 174.62 174.15 2ds4 s MET 68 N -3.85 0.11 -0.11 3.99 1.75 0.19 -4.98 119.30 116.39 2ds4 s MET 68 Ca 0.39 0.15 -0.02 0.00 -1.25 0.00 0.00 55.69 54.95 2ds4 s MET 68 Cb 0.01 0.03 0.04 0.00 2.84 0.00 0.00 34.83 37.75 2ds4 s MET 68 CO 0.22 -0.03 0.03 0.54 -0.65 0.00 0.00 175.02 175.14 2ds4 s VAL 69 N 0.14 0.27 -0.99 10.11 0.11 -1.26 -0.43 120.40 128.34 2ds4 s VAL 69 Ca -0.01 -0.04 -0.05 0.00 -2.93 0.00 0.00 61.98 58.95 2ds4 s VAL 69 Cb -0.02 -0.60 0.25 0.00 -1.53 0.00 0.00 36.38 34.48 2ds4 s VAL 69 CO -0.00 0.05 0.93 -1.58 -3.33 0.00 0.00 175.10 171.16 2ds4 s GLN 70 N 2.00 3.70 0.28 1.54 0.74 0.62 -5.02 119.66 123.52 2ds4 s GLN 70 Ca 0.03 -3.22 -0.30 0.00 0.05 0.00 0.00 55.36 51.92 2ds4 s GLN 70 Cb -0.14 -4.24 -0.12 0.00 1.10 0.00 0.00 33.01 29.61 2ds4 s GLN 70 CO -0.06 -1.25 1.64 0.16 -0.55 0.00 0.00 175.29 175.22 2ds4 s ASP 71 N 0.61 6.35 0.00 6.67 1.47 -1.26 -3.47 116.67 127.03 2ds4 s ASP 71 Ca 0.29 2.95 0.00 0.00 1.18 0.00 0.00 52.55 56.97 2ds4 s ASP 71 Cb -0.09 -2.63 0.00 0.00 -0.34 0.00 0.00 42.92 39.86 2ds4 s ASP 71 CO -0.10 -0.95 0.00 0.59 0.68 0.00 0.00 175.17 175.39 2ds4 n ASN 72 N 2.59 0.35 -2.26 2.11 3.02 -1.26 -5.00 115.26 114.82 2ds4 n ASN 72 Ca 0.10 -0.40 -0.08 0.00 -0.03 0.00 0.00 54.58 54.17 2ds4 n ASN 72 Cb 0.37 0.87 -0.01 0.00 -0.61 0.00 0.00 39.78 40.39 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 -0.90 -2.28 -1.12 3.52 4.01 -1.26 -4.78 118.16 115.34 2ds4 n LYS 73 Ca 0.00 0.40 -0.15 0.00 -0.51 0.00 0.00 58.31 58.05 2ds4 n LYS 73 Cb 0.00 -4.90 0.16 0.00 -0.51 0.00 0.00 35.03 29.78 2ds4 n LYS 73 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2ds4 n ASP 74 N -1.40 3.73 0.00 4.39 -0.08 -1.26 -2.55 116.55 119.38 2ds4 n ASP 74 Ca -0.09 -3.76 0.00 0.00 -1.51 0.00 0.00 54.79 49.43 2ds4 n ASP 74 Cb 0.52 -0.69 0.00 0.00 2.34 0.00 0.00 41.12 43.29 2ds4 n ASP 74 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ds4 n GLY 75 N -1.06 2.62 2.95 0.27 0.00 -1.23 -4.63 105.19 104.12 2ds4 n GLY 75 Ca 0.44 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.21 0.25 0.15 2.61 -4.23 -1.26 -2.98 115.64 107.97 2ds4 s THR 76 Ca 0.00 -0.42 0.09 0.00 -1.18 0.00 0.00 61.69 60.18 2ds4 s THR 76 Cb 0.00 -0.27 -0.04 0.00 1.34 0.00 0.00 72.50 73.53 2ds4 s THR 76 CO 0.00 -0.11 -0.13 -0.31 -0.54 0.00 0.00 174.62 173.53 2ds4 s TYR 77 N -0.53 2.60 -0.30 3.99 1.51 -0.95 -4.24 117.35 119.43 2ds4 s TYR 77 Ca -0.04 -0.23 0.01 0.00 -1.01 0.00 0.00 57.07 55.81 2ds4 s TYR 77 Cb -0.04 -1.32 0.07 0.00 -0.11 0.00 0.00 41.96 40.56 2ds4 s TYR 77 CO -0.00 0.46 -0.02 -0.47 -1.11 0.00 0.00 175.55 174.40 2ds4 s TYR 78 N -1.45 3.39 0.07 2.71 5.04 -1.23 -2.53 117.35 123.35 2ds4 s TYR 78 Ca 0.22 -2.33 0.05 0.00 -2.44 0.00 0.00 57.07 52.57 2ds4 s TYR 78 Cb -0.10 -2.27 -0.04 0.00 0.35 0.00 0.00 41.96 39.91 2ds4 s TYR 78 CO 0.13 -0.88 -0.07 0.42 -1.34 0.00 0.00 175.55 173.82 2ds4 s ILE 79 N 1.11 3.61 -0.08 3.14 1.01 -1.17 -0.28 121.20 128.53 2ds4 s ILE 79 Ca -0.03 -1.03 -0.09 0.00 0.00 0.00 0.00 60.65 59.49 2ds4 s ILE 79 Cb -0.20 -2.65 0.02 0.00 0.01 0.00 0.00 42.46 39.64 2ds4 s ILE 79 CO -0.04 0.21 0.26 -0.44 0.00 0.00 0.00 174.94 174.93 2ds4 s SER 80 N -1.95 -0.24 -0.04 3.58 0.01 0.42 -2.23 113.70 113.26 2ds4 s SER 80 Ca 0.21 0.43 -0.07 0.00 1.31 0.00 0.00 55.95 57.82 2ds4 s SER 80 Cb -0.11 0.49 0.01 0.00 0.21 0.00 0.00 66.02 66.62 2ds4 s SER 80 CO 0.13 -0.15 0.17 -0.72 0.41 0.00 0.00 173.24 173.07 2ds4 s TYR 81 N -0.13 -0.10 -0.23 2.43 -0.85 -0.26 0.58 117.35 118.80 2ds4 s TYR 81 Ca -0.03 0.22 -0.01 0.00 -0.52 0.00 0.00 57.07 56.73 2ds4 s TYR 81 Cb -0.03 0.02 0.07 0.00 0.38 0.00 0.00 41.96 42.40 2ds4 s TYR 81 CO 0.01 -0.18 0.02 0.99 -1.52 0.00 0.00 175.55 174.86 2ds4 s THR 82 N -0.55 0.92 0.16 -3.49 2.01 -1.20 -1.36 115.64 112.12 2ds4 s THR 82 Ca -0.06 -0.92 -0.30 0.00 0.31 0.00 0.00 61.69 60.71 2ds4 s THR 82 Cb -0.04 -1.39 -0.08 0.00 0.01 0.00 0.00 72.50 71.00 2ds4 s THR 82 CO 0.01 -0.25 1.33 -2.16 -0.69 0.00 0.00 174.62 172.86 2ds4 s PRO 83 N 1.66 4.37 -0.02 4.92 0.04 -1.26 -4.56 135.00 140.16 2ds4 s PRO 83 Ca -0.01 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 62.87 2ds4 s PRO 83 Cb -0.18 -3.22 -0.30 0.00 0.04 0.00 0.00 34.50 30.84 2ds4 s PRO 83 CO -0.10 -0.32 0.97 0.87 0.04 0.00 0.00 177.00 178.47 2ds4 h LYS 84 N 5.96 0.38 -6.65 4.56 1.57 -1.96 -0.06 116.57 120.37 2ds4 h LYS 84 Ca -0.44 -0.58 -0.65 0.00 -1.87 0.00 0.00 60.65 57.12 2ds4 h LYS 84 Cb 1.21 0.20 -0.21 0.00 0.08 0.00 0.00 32.23 33.52 2ds4 h LYS 84 CO 0.81 1.25 -0.85 -1.21 -0.57 0.00 0.00 179.45 178.88 2ds4 s GLU 85 N -2.67 1.37 0.68 3.15 8.01 -1.26 -4.43 118.70 123.55 2ds4 s GLU 85 Ca -0.13 -1.36 -0.14 0.00 0.01 0.00 0.00 54.97 53.35 2ds4 s GLU 85 Cb 0.02 -1.76 0.01 0.00 -4.31 0.00 0.00 34.13 28.09 2ds4 s GLU 85 CO 0.85 0.41 1.11 -1.25 0.01 0.00 0.00 175.26 176.38 2ds4 s PRO 86 N -2.21 2.71 0.00 0.39 0.04 -1.26 -4.91 135.00 129.75 2ds4 s PRO 86 Ca 0.14 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.53 2ds4 s PRO 86 Cb -0.09 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2ds4 s PRO 86 CO 0.07 -1.32 0.00 0.41 0.04 0.00 0.00 177.00 176.20 2ds4 n GLY 87 N -0.65 1.05 3.78 0.56 0.00 0.11 -4.95 105.19 105.09 2ds4 n GLY 87 Ca 0.10 -2.03 -0.38 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.02 4.28 0.27 1.61 0.11 -1.26 -0.17 120.40 124.22 2ds4 s VAL 88 Ca 0.00 1.74 0.02 0.00 -2.93 0.00 0.00 61.98 60.81 2ds4 s VAL 88 Cb 0.00 -4.06 -0.05 0.00 -1.53 0.00 0.00 36.38 30.74 2ds4 s VAL 88 CO 0.00 0.28 0.09 -0.31 -3.33 0.00 0.00 175.10 171.83 2ds4 s TYR 89 N -1.45 1.64 -0.19 1.54 1.51 0.71 -2.28 117.35 118.84 2ds4 s TYR 89 Ca 0.45 -1.12 0.00 0.00 -1.01 0.00 0.00 57.07 55.39 2ds4 s TYR 89 Cb -0.20 -0.99 0.05 0.00 -0.11 0.00 0.00 41.96 40.70 2ds4 s TYR 89 CO 0.25 -0.25 -0.07 0.99 -1.11 0.00 0.00 175.55 175.36 2ds4 s THR 90 N -3.64 1.36 -0.14 -0.71 2.01 0.03 -1.97 115.64 112.57 2ds4 s THR 90 Ca 0.37 -0.87 -0.19 0.00 0.31 0.00 0.00 61.69 61.31 2ds4 s THR 90 Cb 0.08 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 71.03 2ds4 s THR 90 CO 0.14 0.09 0.52 -0.69 -0.69 0.00 0.00 174.62 173.99 2ds4 s VAL 91 N 1.51 5.14 -0.27 3.82 1.01 -0.93 -1.89 120.40 128.80 2ds4 s VAL 91 Ca -0.01 1.02 -0.07 0.00 0.00 0.00 0.00 61.98 62.92 2ds4 s VAL 91 Cb -0.16 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.35 2ds4 s VAL 91 CO -0.08 0.26 0.07 0.26 0.00 0.00 0.00 175.10 175.61 2ds4 s TRP 92 N 1.04 3.10 -0.24 5.22 0.52 0.02 -2.77 118.94 125.83 2ds4 s TRP 92 Ca 0.27 -0.72 -0.01 0.00 0.02 0.00 0.00 56.10 55.66 2ds4 s TRP 92 Cb -0.15 -2.24 0.07 0.00 -1.15 0.00 0.00 33.47 30.00 2ds4 s TRP 92 CO 0.11 -0.48 0.02 0.08 0.02 0.00 0.00 176.95 176.70 2ds4 s VAL 93 N 1.55 1.04 0.02 4.03 1.01 -1.25 -2.15 120.40 124.65 2ds4 s VAL 93 Ca 0.05 -1.06 0.02 0.00 0.00 0.00 0.00 61.98 60.99 2ds4 s VAL 93 Cb -0.16 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 2ds4 s VAL 93 CO 0.03 -0.29 -0.07 0.00 0.00 0.00 0.00 175.10 174.76 2ds4 s ILE 95 N -0.67 2.75 -1.13 0.00 1.01 0.20 -1.35 121.20 122.01 2ds4 s ILE 95 Ca -0.02 -0.80 -0.00 0.00 0.00 0.00 0.00 60.65 59.82 2ds4 s ILE 95 Cb -0.06 -2.27 0.00 0.00 0.01 0.00 0.00 42.46 40.15 2ds4 s ILE 95 CO 0.00 0.40 0.94 0.29 0.00 0.00 0.00 174.94 176.58 2ds4 n LYS 96 N 4.70 -6.26 -3.61 2.79 5.02 -1.10 -2.59 118.16 117.10 2ds4 n LYS 96 Ca -0.19 0.80 -0.24 0.00 -2.02 0.00 0.00 58.31 56.66 2ds4 n LYS 96 Cb 0.49 -5.67 0.08 0.00 -0.02 0.00 0.00 35.03 29.91 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 -3.96 -7.65 -3.71 1.97 1.02 -1.26 -4.99 120.64 102.06 2ds4 n GLU 97 Ca -0.27 0.81 -0.12 0.00 -0.02 0.00 0.00 57.16 57.56 2ds4 n GLU 97 Cb 0.66 -5.85 -0.12 0.00 -0.02 0.00 0.00 31.44 26.11 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 -6.26 0.24 0.13 3.49 -0.21 -1.07 -5.14 119.66 110.85 2ds4 s GLN 98 Ca 0.54 0.65 -0.30 0.00 0.02 0.00 0.00 55.36 56.26 2ds4 s GLN 98 Cb -0.24 -0.07 -0.07 0.00 1.00 0.00 0.00 33.01 33.63 2ds4 s GLN 98 CO 0.74 -0.19 1.22 -3.38 -2.12 0.00 0.00 175.29 171.57 2ds4 s HIS 99 N 1.53 3.41 0.52 0.91 -3.43 -1.26 0.60 115.29 117.56 2ds4 s HIS 99 Ca -0.07 1.32 -0.07 0.00 -0.80 0.00 0.00 55.06 55.43 2ds4 s HIS 99 Cb -0.10 -3.46 0.12 0.00 -1.43 0.00 0.00 32.58 27.70 2ds4 s HIS 99 CO -0.10 -1.38 0.70 1.33 -2.00 0.00 0.00 174.74 173.29 2ds4 n VAL 100 N 3.20 0.00 -2.52 -5.38 0.24 -1.14 -4.39 118.33 108.33 2ds4 n VAL 100 Ca 0.07 -0.64 -0.38 0.00 -2.04 0.00 0.00 64.34 61.34 2ds4 n VAL 100 Cb 0.45 -1.56 -0.04 0.00 -1.47 0.00 0.00 33.84 31.22 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 -4.46 4.40 -1.54 7.34 0.74 -1.14 -3.40 119.66 121.61 2ds4 s GLN 101 Ca 0.41 1.64 -0.02 0.00 0.05 0.00 0.00 55.36 57.44 2ds4 s GLN 101 Cb -0.01 -2.86 0.00 0.00 1.10 0.00 0.00 33.01 31.24 2ds4 s GLN 101 CO 0.29 0.04 0.27 0.41 -0.55 0.00 0.00 175.29 175.74 2ds4 n GLY 102 N 0.77 -0.42 3.24 2.59 0.00 -1.26 -4.77 105.19 105.33 2ds4 n GLY 102 Ca 0.02 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 2ds4 n GLY 102 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ds4 s SER 103 N -2.42 -0.31 1.02 1.61 0.15 -1.22 -4.21 113.70 108.32 2ds4 s SER 103 Ca 0.13 0.51 -0.13 0.00 0.70 0.00 0.00 55.95 57.16 2ds4 s SER 103 Cb -0.06 0.58 0.20 0.00 -1.71 0.00 0.00 66.02 65.04 2ds4 s SER 103 CO 0.17 -0.23 1.09 -2.16 1.20 0.00 0.00 173.24 173.31 2ds4 s PRO 104 N -0.31 0.26 0.04 5.44 0.04 -1.26 -4.55 135.00 134.66 2ds4 s PRO 104 Ca -0.04 0.47 0.02 0.00 0.04 0.00 0.00 61.00 61.48 2ds4 s PRO 104 Cb -0.03 -1.72 -0.02 0.00 0.04 0.00 0.00 34.50 32.76 2ds4 s PRO 104 CO 0.02 -2.83 -0.07 -0.59 0.04 0.00 0.00 177.00 173.56 2ds4 s PHE 105 N -2.97 0.61 0.39 0.56 -0.71 -1.12 -4.99 117.98 109.75 2ds4 s PHE 105 Ca 0.66 -0.48 -0.18 0.00 -1.04 0.00 0.00 56.93 55.89 2ds4 s PHE 105 Cb -0.18 -0.37 -0.10 0.00 -1.21 0.00 0.00 43.02 41.16 2ds4 s PHE 105 CO 0.58 -0.09 0.85 0.99 -1.34 0.00 0.00 175.22 176.20 2ds4 s THR 106 N -1.33 4.54 -0.09 -4.49 2.01 -1.26 -2.18 115.64 112.84 2ds4 s THR 106 Ca -0.10 1.20 -0.03 0.00 0.31 0.00 0.00 61.69 63.06 2ds4 s THR 106 Cb -0.10 -3.61 0.05 0.00 0.01 0.00 0.00 72.50 68.85 2ds4 s THR 106 CO 0.00 -0.29 0.17 -0.69 -0.69 0.00 0.00 174.62 173.13 2ds4 s VAL 107 N -2.12 -0.24 -0.24 3.82 1.01 -0.83 -4.57 120.40 117.22 2ds4 s VAL 107 Ca 0.58 0.32 -0.17 0.00 0.00 0.00 0.00 61.98 62.71 2ds4 s VAL 107 Cb -0.10 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 2ds4 s VAL 107 CO 0.17 0.13 0.45 -0.89 0.00 0.00 0.00 175.10 174.96 2ds4 s THR 108 N 2.12 5.13 -0.41 3.92 2.01 -1.24 -0.21 115.64 126.97 2ds4 s THR 108 Ca 0.01 0.77 -0.13 0.00 0.31 0.00 0.00 61.69 62.65 2ds4 s THR 108 Cb -0.12 -3.78 0.04 0.00 0.01 0.00 0.00 72.50 68.66 2ds4 s THR 108 CO -0.06 0.15 0.28 -0.69 -0.69 0.00 0.00 174.62 173.61 2ds4 s VAL 109 N 1.94 4.87 0.99 3.82 1.01 0.76 -1.04 120.40 132.75 2ds4 s VAL 109 Ca 0.19 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 61.15 2ds4 s VAL 109 Cb -0.15 -3.78 0.19 0.00 0.00 0.00 0.00 36.38 32.63 2ds4 s VAL 109 CO 0.09 -0.36 1.09 -0.13 0.00 0.00 0.00 175.10 175.80 2ds4 s ARG 110 N 1.59 0.46 0.23 2.72 0.52 -0.55 0.05 118.95 123.97 2ds4 s ARG 110 Ca 0.03 0.54 -0.24 0.00 -0.52 0.00 0.00 55.73 55.55 2ds4 s ARG 110 Cb -0.21 -1.74 -0.09 0.00 0.52 0.00 0.00 34.95 33.44 2ds4 s ARG 110 CO 0.07 -2.71 0.81 -0.98 0.02 0.00 0.00 175.30 172.51 2ds4 s ARG 111 N -4.96 4.50 0.11 3.54 3.03 -1.26 0.50 118.95 124.41 2ds4 s ARG 111 Ca 0.65 1.14 -0.31 0.00 2.03 0.00 0.00 55.73 59.24 2ds4 s ARG 111 Cb -0.19 -3.04 -0.07 0.00 -1.03 0.00 0.00 34.95 30.63 2ds4 s ARG 111 CO 0.58 0.45 1.25 0.21 -1.13 0.00 0.00 175.30 176.65 2ds4 s LYS 112 N -1.61 4.42 0.00 3.89 2.36 -1.26 -4.69 119.74 122.85 2ds4 s LYS 112 Ca 0.42 1.87 0.02 0.00 -2.55 0.00 0.00 55.97 55.74 2ds4 s LYS 112 Cb -0.20 -3.29 0.02 0.00 -1.05 0.00 0.00 37.83 33.30 2ds4 s LYS 112 CO 0.25 -0.26 0.57 1.58 1.55 0.00 0.00 175.35 179.04