#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm3 s SER 2 N 0.00 2.73 -0.28 1.61 1.04 -1.26 -5.12 113.70 112.42 2dm3 s SER 2 Ca 0.00 -0.43 -0.24 0.00 0.48 0.00 0.00 55.95 55.76 2dm3 s SER 2 Cb 0.00 -0.49 0.13 0.00 0.10 0.00 0.00 66.02 65.76 2dm3 s SER 2 CO 0.00 0.26 1.06 -0.55 0.98 0.00 0.00 173.24 174.98 2dm3 s SER 3 N -0.36 -0.43 0.00 7.02 0.15 -1.26 -5.13 113.70 113.69 2dm3 s SER 3 Ca 0.04 0.80 0.00 0.00 0.70 0.00 0.00 55.95 57.49 2dm3 s SER 3 Cb -0.11 0.86 0.00 0.00 -1.71 0.00 0.00 66.02 65.06 2dm3 s SER 3 CO 0.01 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.92 2dm3 n GLY 4 N 2.35 0.15 3.11 9.45 0.00 -1.26 -5.00 105.19 113.99 2dm3 n GLY 4 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 2dm3 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dm3 s SER 5 N -1.00 3.83 -0.66 1.61 0.15 -1.26 -5.06 113.70 111.31 2dm3 s SER 5 Ca 0.00 -0.99 0.01 0.00 0.70 0.00 0.00 55.95 55.67 2dm3 s SER 5 Cb 0.00 -1.53 0.16 0.00 -1.71 0.00 0.00 66.02 62.94 2dm3 s SER 5 CO 0.00 -0.10 0.46 -0.55 1.20 0.00 0.00 173.24 174.25 2dm3 s SER 6 N 1.22 5.02 0.11 5.45 0.15 -1.26 -5.04 113.70 119.34 2dm3 s SER 6 Ca -0.01 -3.25 -0.26 0.00 0.70 0.00 0.00 55.95 53.12 2dm3 s SER 6 Cb -0.16 -1.76 0.08 0.00 -1.71 0.00 0.00 66.02 62.47 2dm3 s SER 6 CO -0.09 -0.24 1.08 -0.83 1.20 0.00 0.00 173.24 174.36 2dm3 s GLY 7 N -0.17 -0.20 -0.02 9.45 0.00 -1.25 -4.50 107.32 110.62 2dm3 s GLY 7 Ca 0.20 0.17 0.01 0.00 0.00 0.00 0.00 44.72 45.11 2dm3 s GLY 7 CO -0.06 0.76 -0.04 -1.36 0.00 0.00 0.00 173.10 172.39 2dm3 s PHE 8 N -2.78 0.54 0.26 1.90 0.08 -1.21 -4.86 117.98 111.90 2dm3 s PHE 8 Ca 0.15 -0.11 -0.28 0.00 0.12 0.00 0.00 56.93 56.81 2dm3 s PHE 8 Cb 0.00 -0.44 -0.15 0.00 -0.57 0.00 0.00 43.02 41.86 2dm3 s PHE 8 CO 0.01 -0.09 0.92 -2.13 -0.10 0.00 0.00 175.22 173.83 2dm3 n ARG 9 N 3.51 1.04 -2.07 0.44 0.63 -1.26 -3.68 116.66 115.27 2dm3 n ARG 9 Ca -0.20 0.37 -0.42 0.00 -0.92 0.00 0.00 57.85 56.68 2dm3 n ARG 9 Cb 0.54 -1.67 -0.03 0.00 0.45 0.00 0.00 32.46 31.76 2dm3 n ARG 9 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2dm3 s PRO 10 N -1.34 3.17 -0.04 -0.14 0.04 -1.26 -4.54 135.00 130.89 2dm3 s PRO 10 Ca 0.61 1.10 0.02 0.00 0.04 0.00 0.00 61.00 62.77 2dm3 s PRO 10 Cb -0.76 -4.22 0.01 0.00 0.04 0.00 0.00 34.50 29.56 2dm3 s PRO 10 CO 0.59 -2.06 -0.08 -1.58 0.04 0.00 0.00 177.00 173.90 2dm3 s HIS 11 N 7.27 0.97 -0.49 0.56 2.46 -1.09 -4.29 115.29 120.67 2dm3 s HIS 11 Ca 0.73 -0.27 -0.24 0.00 0.47 0.00 0.00 55.06 55.75 2dm3 s HIS 11 Cb -0.18 -0.73 0.03 0.00 -0.13 0.00 0.00 32.58 31.57 2dm3 s HIS 11 CO 0.30 -0.15 0.86 -0.06 -2.47 0.00 0.00 174.74 173.21 2dm3 s PHE 12 N 0.46 2.91 0.11 3.88 0.08 -1.26 -1.09 117.98 123.06 2dm3 s PHE 12 Ca -0.07 0.09 -0.17 0.00 0.12 0.00 0.00 56.93 56.89 2dm3 s PHE 12 Cb -0.11 -3.87 -0.04 0.00 -0.57 0.00 0.00 43.02 38.43 2dm3 s PHE 12 CO 0.01 -1.15 1.62 -0.07 -0.10 0.00 0.00 175.22 175.53 2dm3 h LEU 13 N 10.50 0.47 -7.76 -0.37 4.07 -1.83 -3.41 115.31 116.97 2dm3 h LEU 13 Ca -0.25 -0.21 -0.57 0.00 0.08 0.00 0.00 57.88 56.93 2dm3 h LEU 13 Cb 1.08 -0.12 -0.37 0.00 1.08 0.00 0.00 40.66 42.33 2dm3 h LEU 13 CO 1.02 0.55 -0.81 -1.10 -1.08 0.00 0.00 178.44 177.02 2dm3 s GLN 14 N -5.38 1.84 0.03 1.13 -0.21 -1.25 -5.06 119.66 110.76 2dm3 s GLN 14 Ca -0.13 -0.49 0.06 0.00 0.02 0.00 0.00 55.36 54.82 2dm3 s GLN 14 Cb 0.09 -1.96 -0.02 0.00 1.00 0.00 0.00 33.01 32.12 2dm3 s GLN 14 CO 0.74 -0.31 -0.19 0.00 -2.12 0.00 0.00 175.29 173.41 2dm3 s ALA 15 N 1.58 1.58 1.25 6.09 0.00 -1.26 -3.26 121.76 127.73 2dm3 s ALA 15 Ca 0.03 -0.96 -0.20 0.00 0.00 0.00 0.00 51.96 50.83 2dm3 s ALA 15 Cb -0.14 -0.32 0.30 0.00 0.00 0.00 0.00 23.12 22.97 2dm3 s ALA 15 CO -0.09 0.35 1.08 -0.35 0.00 0.00 0.00 175.76 176.75 2dm3 n PRO 16 N 2.00 -3.13 0.00 0.00 -0.04 -1.26 -5.09 135.00 127.48 2dm3 n PRO 16 Ca -0.17 -1.73 0.00 0.00 -0.04 0.00 0.00 63.50 61.56 2dm3 n PRO 16 Cb 0.54 -1.62 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 2dm3 n PRO 16 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dm3 n GLY 17 N -4.70 5.00 3.68 0.55 0.00 -1.26 -4.92 105.19 103.54 2dm3 n GLY 17 Ca 0.15 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 2dm3 n GLY 17 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dm3 s ASP 18 N 1.18 7.12 0.10 1.61 1.47 -1.26 -3.65 116.67 123.24 2dm3 s ASP 18 Ca 0.00 1.38 0.05 0.00 1.18 0.00 0.00 52.55 55.16 2dm3 s ASP 18 Cb 0.00 -2.52 -0.03 0.00 -0.34 0.00 0.00 42.92 40.03 2dm3 s ASP 18 CO 0.00 -0.48 -0.12 -0.76 0.68 0.00 0.00 175.17 174.49 2dm3 s LEU 19 N 2.32 2.37 -0.20 2.11 1.02 -1.20 -5.03 118.68 120.07 2dm3 s LEU 19 Ca 0.44 -0.76 -0.00 0.00 0.02 0.00 0.00 54.13 53.83 2dm3 s LEU 19 Cb -0.17 -0.43 0.05 0.00 0.02 0.00 0.00 46.19 45.66 2dm3 s LEU 19 CO 0.13 -0.18 -0.05 -0.89 0.02 0.00 0.00 176.35 175.39 2dm3 s THR 20 N -2.04 1.25 -0.06 5.49 2.01 -1.26 -0.50 115.64 120.53 2dm3 s THR 20 Ca 0.04 -0.88 0.03 0.00 0.31 0.00 0.00 61.69 61.19 2dm3 s THR 20 Cb -0.05 -1.49 0.01 0.00 0.01 0.00 0.00 72.50 70.97 2dm3 s THR 20 CO 0.02 0.00 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.12 2dm3 s VAL 21 N 1.55 1.24 0.70 3.82 1.01 -0.81 -5.00 120.40 122.91 2dm3 s VAL 21 Ca -0.02 -0.56 -0.14 0.00 0.00 0.00 0.00 61.98 61.26 2dm3 s VAL 21 Cb -0.17 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.13 2dm3 s VAL 21 CO -0.07 0.37 1.14 -1.58 0.00 0.00 0.00 175.10 174.96 2dm3 s GLN 22 N 0.48 2.46 0.22 2.72 0.74 -1.26 -2.43 119.66 122.60 2dm3 s GLN 22 Ca -0.12 1.48 -0.30 0.00 0.05 0.00 0.00 55.36 56.47 2dm3 s GLN 22 Cb -0.15 -1.90 -0.10 0.00 1.10 0.00 0.00 33.01 31.97 2dm3 s GLN 22 CO 0.04 -1.53 1.43 -2.00 -0.55 0.00 0.00 175.29 172.67 2dm3 s GLU 23 N -4.15 4.29 0.00 1.67 -6.30 0.10 -2.52 118.70 111.79 2dm3 s GLU 23 Ca 0.68 2.25 0.00 0.00 -2.50 0.00 0.00 54.97 55.40 2dm3 s GLU 23 Cb -0.23 -3.14 0.00 0.00 0.00 0.00 0.00 34.13 30.77 2dm3 s GLU 23 CO 0.45 -0.41 0.00 0.41 0.02 0.00 0.00 175.26 175.73 2dm3 n GLY 24 N 2.47 0.58 3.88 -1.50 0.00 -0.62 -4.66 105.19 105.33 2dm3 n GLY 24 Ca 0.08 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.43 2dm3 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm3 s LYS 25 N -0.92 2.44 -0.07 1.61 -0.14 -1.05 -4.67 119.74 116.93 2dm3 s LYS 25 Ca 0.00 -1.67 -0.26 0.00 -1.36 0.00 0.00 55.97 52.69 2dm3 s LYS 25 Cb 0.00 -2.30 -0.03 0.00 -1.68 0.00 0.00 37.83 33.82 2dm3 s LYS 25 CO 0.00 -0.30 0.80 -1.17 -0.76 0.00 0.00 175.35 173.92 2dm3 s LEU 26 N -4.16 4.30 -0.21 3.17 1.98 -1.26 -3.69 118.68 118.81 2dm3 s LEU 26 Ca 0.45 1.31 0.01 0.00 -2.89 0.00 0.00 54.13 53.02 2dm3 s LEU 26 Cb -0.02 -3.24 0.03 0.00 0.66 0.00 0.00 46.19 43.62 2dm3 s LEU 26 CO 0.27 -0.21 -0.16 0.00 -1.89 0.00 0.00 176.35 174.36 2dm3 s ARG 28 N 1.24 2.34 -0.01 0.00 3.52 -1.26 -1.82 118.95 122.97 2dm3 s ARG 28 Ca 0.00 -0.81 0.00 0.00 -0.13 0.00 0.00 55.73 54.80 2dm3 s ARG 28 Cb -0.15 -2.31 0.01 0.00 -1.56 0.00 0.00 34.95 30.94 2dm3 s ARG 28 CO -0.10 0.59 -0.00 -1.64 -0.81 0.00 0.00 175.30 173.34 2dm3 s MET 29 N -1.05 0.15 -0.04 5.12 -1.94 -1.18 -5.00 119.30 115.35 2dm3 s MET 29 Ca 0.13 0.03 0.05 0.00 -1.71 0.00 0.00 55.69 54.19 2dm3 s MET 29 Cb -0.11 -0.25 -0.01 0.00 2.01 0.00 0.00 34.83 36.47 2dm3 s MET 29 CO 0.03 -0.05 -0.20 -0.51 -0.01 0.00 0.00 175.02 174.28 2dm3 s ASP 30 N 0.47 2.42 -0.19 3.03 1.01 -1.26 -2.86 116.67 119.30 2dm3 s ASP 30 Ca -0.04 -0.40 -0.09 0.00 0.71 0.00 0.00 52.55 52.73 2dm3 s ASP 30 Cb -0.07 -0.61 0.07 0.00 1.01 0.00 0.00 42.92 43.32 2dm3 s ASP 30 CO -0.01 0.19 0.44 0.00 0.21 0.00 0.00 175.17 176.00 2dm3 s LYS 32 N 1.75 3.24 -0.09 0.00 2.20 -1.20 -1.65 119.74 123.99 2dm3 s LYS 32 Ca -0.08 -0.76 0.04 0.00 -0.36 0.00 0.00 55.97 54.81 2dm3 s LYS 32 Cb -0.09 -2.51 -0.00 0.00 -1.51 0.00 0.00 37.83 33.72 2dm3 s LYS 32 CO -0.14 0.18 -0.24 0.54 -0.36 0.00 0.00 175.35 175.34 2dm3 s VAL 33 N 0.39 2.05 -0.08 4.02 0.11 -1.26 -2.24 120.40 123.40 2dm3 s VAL 33 Ca -0.13 -1.02 -0.15 0.00 -2.93 0.00 0.00 61.98 57.75 2dm3 s VAL 33 Cb -0.17 -1.76 -0.05 0.00 -1.53 0.00 0.00 36.38 32.87 2dm3 s VAL 33 CO 0.06 0.56 0.38 -0.55 -3.33 0.00 0.00 175.10 172.22 2dm3 s SER 34 N 0.25 6.65 0.00 3.54 0.15 -0.25 -4.88 113.70 119.16 2dm3 s SER 34 Ca -0.16 0.78 0.00 0.00 0.70 0.00 0.00 55.95 57.26 2dm3 s SER 34 Cb -0.17 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 2dm3 s SER 34 CO 0.08 0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.32 2dm3 n GLY 35 N 2.61 1.53 3.45 9.45 0.00 -1.26 -2.66 105.19 118.31 2dm3 n GLY 35 Ca -0.12 -0.92 -0.08 0.00 0.00 0.00 0.00 46.02 44.90 2dm3 n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dm3 s LEU 36 N 0.00 -0.59 1.19 0.99 2.96 -1.24 -4.22 118.68 117.77 2dm3 s LEU 36 Ca 0.00 1.22 -0.19 0.00 -0.22 0.00 0.00 54.13 54.94 2dm3 s LEU 36 Cb 0.00 1.85 0.28 0.00 0.50 0.00 0.00 46.19 48.82 2dm3 s LEU 36 CO 0.00 -0.22 1.11 -2.16 -1.32 0.00 0.00 176.35 173.76 2dm3 s PRO 37 N 1.75 -1.12 -0.26 0.98 0.04 -1.26 -3.35 135.00 131.77 2dm3 s PRO 37 Ca -0.09 -0.03 -0.40 0.00 0.04 0.00 0.00 61.00 60.53 2dm3 s PRO 37 Cb -0.08 -1.60 -0.15 0.00 0.04 0.00 0.00 34.50 32.70 2dm3 s PRO 37 CO -0.16 -3.65 1.75 2.41 0.04 0.00 0.00 177.00 177.39 2dm3 n THR 38 N -4.72 0.32 -2.23 1.26 -1.04 -1.26 -4.85 114.28 101.76 2dm3 n THR 38 Ca 0.13 -0.06 -0.41 0.00 -2.04 0.00 0.00 64.05 61.66 2dm3 n THR 38 Cb 0.59 -1.26 -0.03 0.00 -1.82 0.00 0.00 70.33 67.81 2dm3 n THR 38 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2dm3 s PRO 39 N 3.55 4.39 -0.55 -2.82 0.04 -1.26 -4.99 135.00 133.37 2dm3 s PRO 39 Ca 0.98 2.04 -0.17 0.00 0.04 0.00 0.00 61.00 63.89 2dm3 s PRO 39 Cb -1.05 -3.20 0.12 0.00 0.04 0.00 0.00 34.50 30.41 2dm3 s PRO 39 CO 0.65 -0.24 0.54 -0.51 0.04 0.00 0.00 177.00 177.48 2dm3 s ASP 40 N 0.33 6.19 0.29 6.66 1.01 -1.25 -4.91 116.67 124.98 2dm3 s ASP 40 Ca 0.56 -1.65 0.03 0.00 0.71 0.00 0.00 52.55 52.21 2dm3 s ASP 40 Cb -0.36 -2.23 -0.03 0.00 1.01 0.00 0.00 42.92 41.31 2dm3 s ASP 40 CO 0.38 -0.90 0.44 -1.48 0.21 0.00 0.00 175.17 173.82 2dm3 s LEU 41 N 1.88 4.17 -0.06 1.23 2.34 -1.26 -3.41 118.68 123.57 2dm3 s LEU 41 Ca 0.05 0.18 0.01 0.00 0.06 0.00 0.00 54.13 54.44 2dm3 s LEU 41 Cb -0.28 -3.01 0.02 0.00 -0.56 0.00 0.00 46.19 42.36 2dm3 s LEU 41 CO 0.04 -0.20 -0.07 -0.44 -1.06 0.00 0.00 176.35 174.63 2dm3 s SER 42 N -4.02 1.30 0.33 1.48 0.01 -1.23 -4.93 113.70 106.64 2dm3 s SER 42 Ca 0.37 -0.19 -0.27 0.00 1.31 0.00 0.00 55.95 57.17 2dm3 s SER 42 Cb -0.09 -0.59 -0.09 0.00 0.21 0.00 0.00 66.02 65.46 2dm3 s SER 42 CO 0.32 -0.04 1.09 0.26 0.41 0.00 0.00 173.24 175.28 2dm3 s TRP 43 N 0.93 3.42 -0.10 2.43 0.52 -1.26 -3.46 118.94 121.42 2dm3 s TRP 43 Ca -0.11 1.67 -0.04 0.00 0.02 0.00 0.00 56.10 57.64 2dm3 s TRP 43 Cb -0.15 -3.24 0.05 0.00 -1.15 0.00 0.00 33.47 28.98 2dm3 s TRP 43 CO 0.00 -0.65 0.21 -0.65 0.02 0.00 0.00 176.95 175.88 2dm3 s GLN 44 N -1.88 0.13 -0.15 4.98 -0.21 -0.46 -2.62 119.66 119.44 2dm3 s GLN 44 Ca 0.50 0.58 0.00 0.00 0.02 0.00 0.00 55.36 56.46 2dm3 s GLN 44 Cb -0.29 -0.14 -0.00 0.00 1.00 0.00 0.00 33.01 33.58 2dm3 s GLN 44 CO 0.36 -0.23 -0.16 -1.17 -2.12 0.00 0.00 175.29 171.97 2dm3 s LEU 45 N 1.84 2.46 -1.40 2.90 2.96 0.10 -1.31 118.68 126.23 2dm3 s LEU 45 Ca -0.03 -0.47 -0.10 0.00 -0.22 0.00 0.00 54.13 53.30 2dm3 s LEU 45 Cb -0.11 -1.56 0.03 0.00 0.50 0.00 0.00 46.19 45.05 2dm3 s LEU 45 CO -0.07 0.09 1.14 -0.67 -1.32 0.00 0.00 176.35 175.52 2dm3 n ASP 46 N 4.04 -6.02 -2.14 3.68 2.03 -1.26 -1.75 116.55 115.13 2dm3 n ASP 46 Ca -0.19 -0.60 -0.16 0.00 0.52 0.00 0.00 54.79 54.37 2dm3 n ASP 46 Cb 0.52 -4.77 0.02 0.00 -0.72 0.00 0.00 41.12 36.16 2dm3 n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dm3 n GLY 47 N -1.94 -0.19 3.01 0.27 0.00 -1.26 -5.01 105.19 100.06 2dm3 n GLY 47 Ca 0.02 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 2dm3 n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dm3 s LYS 48 N -5.27 0.24 -0.42 1.61 1.02 -0.72 -5.11 119.74 111.09 2dm3 s LYS 48 Ca 0.18 -0.13 -0.28 0.00 0.02 0.00 0.00 55.97 55.76 2dm3 s LYS 48 Cb -0.08 0.10 -0.01 0.00 -0.52 0.00 0.00 37.83 37.32 2dm3 s LYS 48 CO 0.23 -0.04 1.75 -1.25 -0.92 0.00 0.00 175.35 175.11 2dm3 s PRO 49 N -0.58 3.18 -0.03 -1.68 0.04 -1.26 0.02 135.00 134.69 2dm3 s PRO 49 Ca -0.07 1.11 -0.30 0.00 0.04 0.00 0.00 61.00 61.78 2dm3 s PRO 49 Cb -0.04 -4.22 -0.03 0.00 0.04 0.00 0.00 34.50 30.25 2dm3 s PRO 49 CO 0.00 -2.05 1.06 0.54 0.04 0.00 0.00 177.00 176.59 2dm3 s VAL 50 N 7.24 4.61 0.07 -0.36 0.11 -1.08 -4.92 120.40 126.07 2dm3 s VAL 50 Ca 0.73 1.88 0.05 0.00 -2.93 0.00 0.00 61.98 61.71 2dm3 s VAL 50 Cb -0.18 -4.21 -0.04 0.00 -1.53 0.00 0.00 36.38 30.42 2dm3 s VAL 50 CO 0.30 0.09 -0.04 0.00 -3.33 0.00 0.00 175.10 172.12 2dm3 s ARG 51 N 1.46 2.46 -0.06 1.54 1.70 -1.26 -4.74 118.95 120.05 2dm3 s ARG 51 Ca 0.53 -0.85 -0.30 0.00 -0.47 0.00 0.00 55.73 54.64 2dm3 s ARG 51 Cb -0.22 -2.49 -0.05 0.00 -0.57 0.00 0.00 34.95 31.62 2dm3 s ARG 51 CO 0.25 0.55 1.50 -1.25 -1.08 0.00 0.00 175.30 175.26 2dm3 s PRO 52 N -2.08 4.22 0.48 3.89 0.04 -1.26 -4.85 135.00 135.44 2dm3 s PRO 52 Ca 0.23 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.30 2dm3 s PRO 52 Cb -0.11 -3.81 -0.01 0.00 0.04 0.00 0.00 34.50 30.61 2dm3 s PRO 52 CO 0.15 -0.74 0.06 -0.51 0.04 0.00 0.00 177.00 176.00 2dm3 s ASP 53 N 2.59 3.67 0.56 6.66 1.01 0.55 -4.93 116.67 126.78 2dm3 s ASP 53 Ca 0.67 -1.70 0.37 0.00 0.71 0.00 0.00 52.55 52.59 2dm3 s ASP 53 Cb -0.30 0.61 1.49 0.00 1.01 0.00 0.00 42.92 45.72 2dm3 s ASP 53 CO 0.25 -0.93 1.70 -1.28 0.21 0.00 0.00 175.17 175.12 2dm3 h SER 54 N 1.47 0.00 0.00 0.27 0.87 -1.95 -1.68 113.55 112.53 2dm3 h SER 54 Ca -0.40 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 59.94 2dm3 h SER 54 Cb 1.31 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.23 2dm3 h SER 54 CO 0.66 0.00 -1.41 0.00 -0.53 0.00 0.00 176.83 175.55 2dm3 n ALA 55 N -2.66 0.84 -2.63 6.23 0.00 -1.26 -4.82 120.51 116.21 2dm3 n ALA 55 Ca 0.26 -0.69 -0.43 0.00 0.00 0.00 0.00 53.44 52.59 2dm3 n ALA 55 Cb 1.36 -0.16 -0.03 0.00 0.00 0.00 0.00 19.45 20.62 2dm3 n ALA 55 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2dm3 s HIS 56 N -2.46 3.17 -0.27 0.00 3.76 -0.63 -1.24 115.29 117.62 2dm3 s HIS 56 Ca -0.29 1.14 -0.01 0.00 -0.15 0.00 0.00 55.06 55.75 2dm3 s HIS 56 Cb 0.07 -3.59 0.04 0.00 1.11 0.00 0.00 32.58 30.21 2dm3 s HIS 56 CO 0.46 -0.72 -0.04 0.21 -0.85 0.00 0.00 174.74 173.80 2dm3 s LYS 57 N 3.51 2.61 -0.16 1.40 2.20 0.49 -0.33 119.74 129.46 2dm3 s LYS 57 Ca 0.43 -1.13 -0.16 0.00 -0.36 0.00 0.00 55.97 54.75 2dm3 s LYS 57 Cb -0.13 -3.05 -0.04 0.00 -1.51 0.00 0.00 37.83 33.10 2dm3 s LYS 57 CO 0.14 -0.50 0.38 -1.64 -0.36 0.00 0.00 175.35 173.37 2dm3 s MET 58 N 1.27 4.26 -0.08 4.03 -1.94 -1.26 -2.03 119.30 123.55 2dm3 s MET 58 Ca -0.03 0.23 0.02 0.00 -1.71 0.00 0.00 55.69 54.21 2dm3 s MET 58 Cb -0.18 -3.46 -0.02 0.00 2.01 0.00 0.00 34.83 33.18 2dm3 s MET 58 CO -0.03 0.14 -0.13 -0.51 -0.01 0.00 0.00 175.02 174.47 2dm3 s LEU 59 N 0.75 2.76 -0.30 -0.03 1.02 -0.93 -5.04 118.68 116.90 2dm3 s LEU 59 Ca 0.20 -0.23 0.03 0.00 0.02 0.00 0.00 54.13 54.15 2dm3 s LEU 59 Cb -0.14 -1.58 0.08 0.00 0.02 0.00 0.00 46.19 44.57 2dm3 s LEU 59 CO 0.07 0.28 -0.00 -0.69 0.02 0.00 0.00 176.35 176.02 2dm3 s VAL 60 N -0.33 2.06 0.50 -1.59 1.01 -1.26 -3.12 120.40 117.66 2dm3 s VAL 60 Ca 0.03 -1.94 -0.15 0.00 0.00 0.00 0.00 61.98 59.92 2dm3 s VAL 60 Cb -0.13 -2.39 -0.07 0.00 0.00 0.00 0.00 36.38 33.79 2dm3 s VAL 60 CO 0.02 -0.38 0.94 -0.13 0.00 0.00 0.00 175.10 175.55 2dm3 s ARG 61 N 1.07 3.88 0.22 2.72 1.81 -1.17 -4.95 118.95 122.53 2dm3 s ARG 61 Ca 0.03 0.82 0.24 0.00 -1.72 0.00 0.00 55.73 55.10 2dm3 s ARG 61 Cb -0.19 -2.19 0.92 0.00 -0.45 0.00 0.00 34.95 33.04 2dm3 s ARG 61 CO -0.08 -0.24 1.72 -0.85 -0.68 0.00 0.00 175.30 175.17 2dm3 n GLU 62 N -1.61 0.20 0.00 3.54 0.28 -1.26 -2.20 120.64 119.59 2dm3 n GLU 62 Ca 0.05 0.34 0.14 0.00 -0.16 0.00 0.00 57.16 57.53 2dm3 n GLU 62 Cb 0.54 -1.82 0.45 0.00 1.43 0.00 0.00 31.44 32.04 2dm3 n GLU 62 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2dm3 n ASN 63 N -2.18 1.52 0.00 -1.84 3.02 -1.26 -4.91 115.26 109.60 2dm3 n ASN 63 Ca 0.03 -1.39 0.00 0.00 -0.03 0.00 0.00 54.58 53.19 2dm3 n ASN 63 Cb 0.29 0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 2dm3 n ASN 63 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dm3 n GLY 64 N 1.23 0.71 3.56 7.41 0.00 -0.93 -4.91 105.19 112.25 2dm3 n GLY 64 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 2dm3 n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dm3 s VAL 65 N -2.81 3.64 0.05 1.61 1.01 -1.26 -4.12 120.40 118.53 2dm3 s VAL 65 Ca 0.00 0.47 -0.12 0.00 0.00 0.00 0.00 61.98 62.33 2dm3 s VAL 65 Cb 0.00 -4.42 -0.06 0.00 0.00 0.00 0.00 36.38 31.90 2dm3 s VAL 65 CO 0.00 -1.27 0.41 -1.00 0.00 0.00 0.00 175.10 173.23 2dm3 s HIS 66 N 6.80 3.64 -0.05 5.22 3.76 -0.66 -3.02 115.29 130.98 2dm3 s HIS 66 Ca 0.52 0.87 -0.07 0.00 -0.15 0.00 0.00 55.06 56.24 2dm3 s HIS 66 Cb -0.11 -2.21 0.01 0.00 1.11 0.00 0.00 32.58 31.38 2dm3 s HIS 66 CO 0.21 0.56 0.17 -1.12 -0.85 0.00 0.00 174.74 173.71 2dm3 s SER 67 N -1.50 -0.12 -0.28 1.40 0.01 -1.18 -1.88 113.70 110.15 2dm3 s SER 67 Ca 0.30 0.19 0.03 0.00 1.31 0.00 0.00 55.95 57.77 2dm3 s SER 67 Cb -0.15 0.31 0.07 0.00 0.21 0.00 0.00 66.02 66.47 2dm3 s SER 67 CO 0.16 -0.16 -0.06 -0.22 0.41 0.00 0.00 173.24 173.38 2dm3 s LEU 68 N -0.36 3.58 -0.31 2.44 2.96 -1.13 -2.20 118.68 123.66 2dm3 s LEU 68 Ca -0.05 -1.55 -0.08 0.00 -0.22 0.00 0.00 54.13 52.23 2dm3 s LEU 68 Cb -0.03 -1.49 0.00 0.00 0.50 0.00 0.00 46.19 45.17 2dm3 s LEU 68 CO 0.01 -0.25 0.12 -0.63 -1.32 0.00 0.00 176.35 174.28 2dm3 s ILE 69 N 1.12 4.33 -0.28 6.68 1.01 -0.86 -3.08 121.20 130.11 2dm3 s ILE 69 Ca -0.03 -0.55 -0.06 0.00 0.00 0.00 0.00 60.65 60.01 2dm3 s ILE 69 Cb -0.19 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.06 2dm3 s ILE 69 CO -0.07 0.07 0.07 -0.63 0.00 0.00 0.00 174.94 174.38 2dm3 s ILE 70 N 1.56 3.94 -0.25 2.92 1.01 -0.75 -0.38 121.20 129.25 2dm3 s ILE 70 Ca 0.04 -0.62 -0.10 0.00 0.00 0.00 0.00 60.65 59.97 2dm3 s ILE 70 Cb -0.17 -2.99 0.10 0.00 0.01 0.00 0.00 42.46 39.41 2dm3 s ILE 70 CO 0.05 0.14 0.56 -0.70 0.00 0.00 0.00 174.94 174.99 2dm3 s GLU 71 N 1.51 0.51 0.17 2.79 -6.30 -0.37 -2.62 118.70 114.39 2dm3 s GLU 71 Ca 0.03 1.21 -0.03 0.00 -2.50 0.00 0.00 54.97 53.69 2dm3 s GLU 71 Cb -0.17 0.47 0.04 0.00 0.00 0.00 0.00 34.13 34.48 2dm3 s GLU 71 CO 0.02 -0.20 0.15 -0.35 0.02 0.00 0.00 175.26 174.90 2dm3 n PRO 72 N 5.07 -1.32 -4.30 4.30 -0.04 -1.26 -4.26 135.00 133.19 2dm3 n PRO 72 Ca -0.14 -0.24 -0.24 0.00 -0.04 0.00 0.00 63.50 62.84 2dm3 n PRO 72 Cb 0.52 -0.23 -0.12 0.00 -0.04 0.00 0.00 33.50 33.63 2dm3 n PRO 72 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2dm3 s VAL 73 N -1.27 1.77 0.12 0.52 1.01 -1.24 -4.80 120.40 116.51 2dm3 s VAL 73 Ca 0.10 -1.59 0.04 0.00 0.00 0.00 0.00 61.98 60.52 2dm3 s VAL 73 Cb -0.01 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 2dm3 s VAL 73 CO 0.08 -0.07 -0.09 0.42 0.00 0.00 0.00 175.10 175.43 2dm3 s THR 74 N -1.22 1.01 0.57 3.92 -4.23 -1.26 -1.59 115.64 112.83 2dm3 s THR 74 Ca 0.08 -1.90 0.29 0.00 -1.18 0.00 0.00 61.69 58.97 2dm3 s THR 74 Cb -0.10 -1.66 0.40 0.00 1.34 0.00 0.00 72.50 72.49 2dm3 s THR 74 CO 0.05 -0.71 1.93 0.28 -0.54 0.00 0.00 174.62 175.62 2dm3 h SER 75 N 3.07 0.00 -0.09 3.99 0.02 -1.97 0.27 113.55 118.84 2dm3 h SER 75 Ca -0.37 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.53 2dm3 h SER 75 Cb 1.19 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 2dm3 h SER 75 CO 0.60 0.00 -0.10 -0.09 -1.14 0.00 0.00 176.83 176.10 2dm3 h ARG 76 N 0.00 0.40 0.00 3.45 2.43 -2.00 -2.02 114.38 116.63 2dm3 h ARG 76 Ca 0.26 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 2dm3 h ARG 76 Cb 1.22 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.71 2dm3 h ARG 76 CO -0.00 0.51 -0.08 -0.44 -1.51 0.00 0.00 179.97 178.44 2dm3 h ASP 77 N 0.38 0.00 -2.82 -3.80 3.32 -0.86 -3.41 116.42 109.22 2dm3 h ASP 77 Ca 0.08 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.56 2dm3 h ASP 77 Cb 0.41 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 2dm3 h ASP 77 CO 0.02 0.08 1.16 0.00 -1.72 0.00 0.00 179.24 178.78 2dm3 s ALA 78 N -4.29 3.14 0.00 3.45 0.00 -0.76 -4.86 121.76 118.44 2dm3 s ALA 78 Ca -0.03 0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.24 2dm3 s ALA 78 Cb 0.13 -3.91 0.00 0.00 0.00 0.00 0.00 23.12 19.35 2dm3 s ALA 78 CO 0.57 -2.19 0.00 0.41 0.00 0.00 0.00 175.76 174.55 2dm3 n GLY 79 N 4.92 1.22 3.15 0.00 0.00 -1.14 -4.99 105.19 108.36 2dm3 n GLY 79 Ca 0.19 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 2dm3 n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dm3 s ILE 80 N -1.73 3.74 -0.03 -0.61 -1.09 -1.26 -2.49 121.20 117.73 2dm3 s ILE 80 Ca 0.00 -2.10 -0.30 0.00 -2.23 0.00 0.00 60.65 56.02 2dm3 s ILE 80 Cb 0.00 -3.50 -0.04 0.00 -1.58 0.00 0.00 42.46 37.34 2dm3 s ILE 80 CO 0.00 -0.76 1.24 -0.31 -1.23 0.00 0.00 174.94 173.89 2dm3 s TYR 81 N 1.02 3.15 -0.06 3.97 1.51 -1.07 -4.07 117.35 121.80 2dm3 s TYR 81 Ca 0.09 1.14 0.03 0.00 -1.01 0.00 0.00 57.07 57.32 2dm3 s TYR 81 Cb -0.23 -3.47 0.01 0.00 -0.11 0.00 0.00 41.96 38.15 2dm3 s TYR 81 CO -0.03 -1.55 -0.14 0.99 -1.11 0.00 0.00 175.55 173.71 2dm3 s THR 82 N 2.10 1.23 0.11 -0.71 2.01 -0.43 -1.64 115.64 118.32 2dm3 s THR 82 Ca 0.58 -0.57 0.09 0.00 0.31 0.00 0.00 61.69 62.11 2dm3 s THR 82 Cb -0.27 -1.10 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 2dm3 s THR 82 CO 0.24 0.37 -0.23 0.00 -0.69 0.00 0.00 174.62 174.31 2dm3 s ILE 84 N -1.09 0.93 -0.52 0.00 1.09 -1.23 -2.35 121.20 118.02 2dm3 s ILE 84 Ca 0.09 -1.33 -0.22 0.00 -1.10 0.00 0.00 60.65 58.09 2dm3 s ILE 84 Cb -0.10 -1.64 0.05 0.00 -1.06 0.00 0.00 42.46 39.70 2dm3 s ILE 84 CO 0.05 -0.59 0.81 0.00 -0.10 0.00 0.00 174.94 175.10 2dm3 s ALA 85 N 1.61 3.26 -0.27 9.38 0.00 0.65 -3.53 121.76 132.86 2dm3 s ALA 85 Ca 0.08 -1.40 -0.06 0.00 0.00 0.00 0.00 51.96 50.58 2dm3 s ALA 85 Cb -0.17 -3.56 -0.00 0.00 0.00 0.00 0.00 23.12 19.38 2dm3 s ALA 85 CO -0.22 -2.19 0.05 0.99 0.00 0.00 0.00 175.76 174.39 2dm3 s THR 86 N 3.38 3.87 0.26 0.00 2.01 -1.22 -1.34 115.64 122.61 2dm3 s THR 86 Ca 0.25 -0.55 0.00 0.00 0.31 0.00 0.00 61.69 61.70 2dm3 s THR 86 Cb -0.15 -2.91 0.00 0.00 0.01 0.00 0.00 72.50 69.46 2dm3 s THR 86 CO 0.17 0.21 0.01 -0.46 -0.69 0.00 0.00 174.62 173.87 2dm3 n ASN 87 N 4.86 2.67 0.00 3.53 6.94 0.59 -3.85 115.26 129.99 2dm3 n ASN 87 Ca -0.16 -2.14 0.01 0.00 -0.02 0.00 0.00 54.58 52.27 2dm3 n ASN 87 Cb 0.49 0.17 0.32 0.00 -2.36 0.00 0.00 39.78 38.40 2dm3 n ASN 87 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 2dm3 h ARG 88 N 0.00 0.52 0.39 -3.83 9.65 -1.88 -3.22 114.38 116.02 2dm3 h ARG 88 Ca -0.22 -0.10 -0.02 0.00 -1.10 0.00 0.00 59.98 58.55 2dm3 h ARG 88 Cb 0.66 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.16 2dm3 h ARG 88 CO 0.36 0.52 -0.19 0.00 2.80 0.00 0.00 179.97 183.45 2dm3 h ALA 89 N 1.55 -0.61 -3.00 2.80 0.00 -1.88 -3.50 119.26 114.62 2dm3 h ALA 89 Ca 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2dm3 h ALA 89 Cb 0.26 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2dm3 h ALA 89 CO 0.00 -0.57 0.00 0.41 0.00 0.00 0.00 179.25 179.09 2dm3 n GLY 90 N 0.24 3.77 3.47 0.00 0.00 -1.22 -4.98 105.19 106.48 2dm3 n GLY 90 Ca -0.07 -0.25 -0.15 0.00 0.00 0.00 0.00 46.02 45.55 2dm3 n GLY 90 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dm3 s GLN 91 N 4.40 0.81 -0.03 1.61 0.74 -1.26 -0.30 119.66 125.62 2dm3 s GLN 91 Ca 0.00 0.50 -0.08 0.00 0.05 0.00 0.00 55.36 55.82 2dm3 s GLN 91 Cb 0.00 0.38 0.01 0.00 1.10 0.00 0.00 33.01 34.51 2dm3 s GLN 91 CO 0.00 -0.18 0.19 1.21 -0.55 0.00 0.00 175.29 175.97 2dm3 s ASN 92 N -0.41 -0.10 0.11 6.67 2.47 -0.45 -4.88 114.94 118.35 2dm3 s ASN 92 Ca -0.06 0.09 0.03 0.00 0.42 0.00 0.00 52.86 53.34 2dm3 s ASN 92 Cb -0.03 0.31 -0.04 0.00 -1.45 0.00 0.00 41.25 40.04 2dm3 s ASN 92 CO 0.04 -0.26 -0.08 -0.44 -3.72 0.00 0.00 177.10 172.64 2dm3 s SER 93 N -0.78 1.37 -0.16 -4.21 0.01 -1.26 -0.25 113.70 108.41 2dm3 s SER 93 Ca -0.09 -0.96 -0.15 0.00 1.31 0.00 0.00 55.95 56.07 2dm3 s SER 93 Cb -0.05 0.05 0.04 0.00 0.21 0.00 0.00 66.02 66.27 2dm3 s SER 93 CO 0.01 -0.38 0.43 0.72 0.41 0.00 0.00 173.24 174.43 2dm3 s PHE 94 N -3.25 -0.49 0.09 2.43 -0.12 -0.99 -4.99 117.98 110.66 2dm3 s PHE 94 Ca 0.11 1.17 0.06 0.00 -0.05 0.00 0.00 56.93 58.22 2dm3 s PHE 94 Cb 0.02 0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.55 2dm3 s PHE 94 CO -0.02 -0.24 -0.06 -1.54 -0.05 0.00 0.00 175.22 173.31 2dm3 s SER 95 N 0.33 4.64 0.09 1.98 1.04 -1.26 -2.61 113.70 117.92 2dm3 s SER 95 Ca -0.01 -0.29 -0.00 0.00 0.48 0.00 0.00 55.95 56.13 2dm3 s SER 95 Cb -0.03 -0.99 -0.04 0.00 0.10 0.00 0.00 66.02 65.06 2dm3 s SER 95 CO -0.01 0.19 -0.01 -1.48 0.98 0.00 0.00 173.24 172.91 2dm3 s LEU 96 N -2.16 2.25 0.01 2.42 0.05 -0.65 -5.00 118.68 115.59 2dm3 s LEU 96 Ca 0.22 -1.08 0.02 0.00 0.05 0.00 0.00 54.13 53.35 2dm3 s LEU 96 Cb -0.11 0.17 -0.04 0.00 -2.05 0.00 0.00 46.19 44.16 2dm3 s LEU 96 CO 0.15 -0.62 -0.03 -0.70 -0.55 0.00 0.00 176.35 174.60 2dm3 s GLU 97 N -3.95 2.66 -0.23 1.48 2.56 -1.24 -2.60 118.70 117.39 2dm3 s GLU 97 Ca 0.14 -0.68 -0.04 0.00 0.00 0.00 0.00 54.97 54.40 2dm3 s GLU 97 Cb 0.07 -2.59 0.10 0.00 2.00 0.00 0.00 34.13 33.71 2dm3 s GLU 97 CO -0.05 0.61 0.19 -1.17 -0.56 0.00 0.00 175.26 174.29 2dm3 s LEU 98 N -1.54 0.07 0.06 2.70 2.96 -1.04 -3.24 118.68 118.65 2dm3 s LEU 98 Ca 0.19 -0.57 -0.18 0.00 -0.22 0.00 0.00 54.13 53.35 2dm3 s LEU 98 Cb -0.11 0.16 -0.06 0.00 0.50 0.00 0.00 46.19 46.67 2dm3 s LEU 98 CO 0.09 -0.36 0.53 -0.69 -1.32 0.00 0.00 176.35 174.60 2dm3 s VAL 99 N 2.26 4.82 -0.12 1.68 1.01 0.35 -2.86 120.40 127.53 2dm3 s VAL 99 Ca 0.07 1.10 0.02 0.00 0.00 0.00 0.00 61.98 63.17 2dm3 s VAL 99 Cb -0.16 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.40 2dm3 s VAL 99 CO -0.19 0.54 -0.16 -0.69 0.00 0.00 0.00 175.10 174.60 2dm3 s VAL 100 N -1.12 1.59 -0.22 2.92 1.01 -1.26 -1.92 120.40 121.39 2dm3 s VAL 100 Ca 0.28 -0.69 -0.13 0.00 0.00 0.00 0.00 61.98 61.44 2dm3 s VAL 100 Cb -0.19 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 2dm3 s VAL 100 CO 0.18 0.46 0.27 0.00 0.00 0.00 0.00 175.10 176.00 2dm3 s ALA 101 N 1.03 3.59 0.79 5.51 0.00 -1.02 -4.91 121.76 126.75 2dm3 s ALA 101 Ca -0.05 -0.71 -0.14 0.00 0.00 0.00 0.00 51.96 51.06 2dm3 s ALA 101 Cb -0.15 -2.46 0.04 0.00 0.00 0.00 0.00 23.12 20.55 2dm3 s ALA 101 CO -0.03 -0.22 0.91 0.00 0.00 0.00 0.00 175.76 176.42 2dm3 n ALA 102 N 4.32 -0.73 -0.09 0.00 0.00 -1.26 0.00 120.51 122.75 2dm3 n ALA 102 Ca -0.12 -0.32 -0.15 0.00 0.00 0.00 0.00 53.44 52.85 2dm3 n ALA 102 Cb 0.52 -2.08 -0.08 0.00 0.00 0.00 0.00 19.45 17.81 2dm3 n ALA 102 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2dm3 h LYS 103 N -0.75 0.00 -1.48 0.00 3.64 -1.96 -3.42 116.57 112.60 2dm3 h LYS 103 Ca -0.46 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.01 2dm3 h LYS 103 Cb 1.31 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 32.87 2dm3 h LYS 103 CO 0.44 0.60 0.57 -1.83 -2.27 0.00 0.00 179.45 176.96 2dm3 s GLU 104 N -2.31 0.44 0.21 1.90 4.04 -1.26 -5.08 118.70 116.64 2dm3 s GLU 104 Ca -0.23 0.37 0.08 0.00 0.04 0.00 0.00 54.97 55.22 2dm3 s GLU 104 Cb 0.04 0.21 -0.04 0.00 0.02 0.00 0.00 34.13 34.37 2dm3 s GLU 104 CO 0.44 -0.08 0.02 -1.54 -1.84 0.00 0.00 175.26 172.26 2dm3 s SER 105 N -0.23 4.80 0.07 0.83 1.04 -1.26 -5.14 113.70 113.81 2dm3 s SER 105 Ca 0.03 -0.45 0.08 0.00 0.48 0.00 0.00 55.95 56.09 2dm3 s SER 105 Cb -0.04 -1.02 -0.03 0.00 0.10 0.00 0.00 66.02 65.04 2dm3 s SER 105 CO -0.06 0.05 -0.21 -0.83 0.98 0.00 0.00 173.24 173.17 2dm3 s GLY 106 N -3.26 1.21 0.02 7.32 0.00 -1.26 -5.01 107.32 106.33 2dm3 s GLY 106 Ca 0.29 -1.16 0.15 0.00 0.00 0.00 0.00 44.72 44.00 2dm3 s GLY 106 CO 0.20 -1.12 1.47 -1.55 0.00 0.00 0.00 173.10 172.10 2dm3 n PRO 107 N 1.50 0.01 -3.84 2.90 -0.04 -1.26 -4.66 135.00 129.62 2dm3 n PRO 107 Ca -0.18 0.27 -0.35 0.00 -0.04 0.00 0.00 63.50 63.20 2dm3 n PRO 107 Cb 0.53 -1.53 -0.08 0.00 -0.04 0.00 0.00 33.50 32.38 2dm3 n PRO 107 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dm3 s SER 108 N -3.09 6.03 0.17 3.54 0.01 -1.26 -5.10 113.70 114.00 2dm3 s SER 108 Ca 0.07 0.20 0.06 0.00 1.31 0.00 0.00 55.95 57.58 2dm3 s SER 108 Cb 0.09 -2.04 -0.05 0.00 0.21 0.00 0.00 66.02 64.24 2dm3 s SER 108 CO 0.27 0.20 -0.11 -0.94 0.41 0.00 0.00 173.24 173.06 2dm3 s SER 109 N 0.24 2.05 0.00 2.44 1.04 -1.26 -5.20 113.70 113.01 2dm3 s SER 109 Ca 0.07 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.48 2dm3 s SER 109 Cb -0.11 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 65.95 2dm3 s SER 109 CO -0.01 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.54