#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 -0.29 0.35 1.61 0.01 -1.26 -5.19 113.70 108.93 2dm3 s SER 2 Ca 0.00 0.06 0.02 0.00 1.31 0.00 0.00 55.95 57.33 2dm3 s SER 2 Cb 0.00 0.30 0.02 0.00 0.21 0.00 0.00 66.02 66.54 2dm3 s SER 2 CO 0.00 -0.46 0.14 -1.20 0.41 0.00 0.00 173.24 172.13 2dm3 n SER 3 N -0.05 2.53 -3.83 2.44 7.64 -1.26 -5.16 113.62 115.93 2dm3 n SER 3 Ca -0.06 -2.35 -0.12 0.00 1.01 0.00 0.00 58.87 57.35 2dm3 n SER 3 Cb 0.60 0.10 -0.09 0.00 -1.01 0.00 0.00 64.21 63.81 2dm3 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dm3 s GLY 4 N -3.08 -0.03 0.38 0.23 0.00 -1.26 -5.15 107.32 98.41 2dm3 s GLY 4 Ca 0.10 0.04 -0.16 0.00 0.00 0.00 0.00 44.72 44.71 2dm3 s GLY 4 CO 0.07 -0.12 0.81 -0.56 0.00 0.00 0.00 173.10 173.30 2dm3 s SER 5 N -1.33 0.02 0.92 1.64 0.01 -1.26 -5.17 113.70 108.54 2dm3 s SER 5 Ca -0.14 -1.15 -0.09 0.00 1.31 0.00 0.00 55.95 55.87 2dm3 s SER 5 Cb -0.07 0.84 0.15 0.00 0.21 0.00 0.00 66.02 67.15 2dm3 s SER 5 CO 0.02 -1.67 0.33 -1.54 0.41 0.00 0.00 173.24 170.80 2dm3 n SER 6 N -1.47 -2.54 -0.13 2.44 3.41 -1.26 -4.76 113.62 109.31 2dm3 n SER 6 Ca -0.08 -0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.19 2dm3 n SER 6 Cb 0.60 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 2dm3 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dm3 n GLY 7 N -1.53 0.26 2.95 5.00 0.00 -1.26 -4.72 105.19 105.88 2dm3 n GLY 7 Ca 0.05 -0.64 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 2dm3 n GLY 7 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dm3 s PHE 8 N 0.00 1.47 0.28 1.61 0.08 -1.25 -4.89 117.98 115.28 2dm3 s PHE 8 Ca 0.00 -0.67 -0.29 0.00 0.12 0.00 0.00 56.93 56.10 2dm3 s PHE 8 Cb 0.00 -1.17 -0.14 0.00 -0.57 0.00 0.00 43.02 41.14 2dm3 s PHE 8 CO 0.00 -0.43 1.07 -2.13 -0.10 0.00 0.00 175.22 173.63 2dm3 n ARG 9 N 4.53 1.45 -2.13 0.44 0.63 -1.26 -3.46 116.66 116.86 2dm3 n ARG 9 Ca -0.16 0.51 -0.43 0.00 -0.92 0.00 0.00 57.85 56.85 2dm3 n ARG 9 Cb 0.51 -1.93 -0.03 0.00 0.45 0.00 0.00 32.46 31.47 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 -1.44 4.01 -0.11 -0.14 0.04 -1.25 -4.54 135.00 131.57 2dm3 s PRO 10 Ca 0.60 1.84 -0.05 0.00 0.04 0.00 0.00 61.00 63.44 2dm3 s PRO 10 Cb -0.70 -3.97 0.05 0.00 0.04 0.00 0.00 34.50 29.92 2dm3 s PRO 10 CO 0.59 -1.03 0.23 -1.58 0.04 0.00 0.00 177.00 175.25 2dm3 s HIS 11 N 4.48 -0.32 -0.50 0.56 2.46 -1.17 -4.39 115.29 116.41 2dm3 s HIS 11 Ca 0.69 0.79 -0.28 0.00 0.47 0.00 0.00 55.06 56.73 2dm3 s HIS 11 Cb -0.27 -0.01 0.01 0.00 -0.13 0.00 0.00 32.58 32.18 2dm3 s HIS 11 CO 0.27 -0.26 1.46 -0.06 -2.47 0.00 0.00 174.74 173.67 2dm3 s PHE 12 N 1.61 2.27 0.17 3.88 0.08 -1.26 -2.56 117.98 122.18 2dm3 s PHE 12 Ca -0.06 0.57 -0.08 0.00 0.12 0.00 0.00 56.93 57.49 2dm3 s PHE 12 Cb -0.11 -4.33 0.05 0.00 -0.57 0.00 0.00 43.02 38.06 2dm3 s PHE 12 CO -0.08 -2.04 1.53 -0.07 -0.10 0.00 0.00 175.22 174.45 2dm3 h LEU 13 N 12.99 0.88 -7.41 -0.37 3.38 -0.75 -3.42 115.31 120.60 2dm3 h LEU 13 Ca -0.27 -0.39 -0.50 0.00 0.09 0.00 0.00 57.88 56.81 2dm3 h LEU 13 Cb 1.10 -0.25 -0.39 0.00 0.09 0.00 0.00 40.66 41.22 2dm3 h LEU 13 CO 1.14 1.14 -0.77 -1.58 0.09 0.00 0.00 178.44 178.46 2dm3 s GLN 14 N -4.40 0.79 0.05 1.13 0.74 -1.17 -4.97 119.66 111.84 2dm3 s GLN 14 Ca -0.10 -0.26 0.06 0.00 0.05 0.00 0.00 55.36 55.11 2dm3 s GLN 14 Cb 0.12 -1.71 -0.02 0.00 1.10 0.00 0.00 33.01 32.49 2dm3 s GLN 14 CO 0.86 -0.49 -0.16 0.00 -0.55 0.00 0.00 175.29 174.96 2dm3 s ALA 15 N 1.85 1.31 1.19 1.58 0.00 -1.26 -0.61 121.76 125.82 2dm3 s ALA 15 Ca 0.01 -0.92 -0.19 0.00 0.00 0.00 0.00 51.96 50.87 2dm3 s ALA 15 Cb -0.15 -0.20 0.28 0.00 0.00 0.00 0.00 23.12 23.05 2dm3 s ALA 15 CO -0.07 0.25 1.11 -1.25 0.00 0.00 0.00 175.76 175.80 2dm3 s PRO 16 N -1.30 -1.09 0.00 0.00 0.04 -1.26 -5.08 135.00 126.31 2dm3 s PRO 16 Ca 0.02 -0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.05 2dm3 s PRO 16 Cb -0.08 -1.61 0.00 0.00 0.04 0.00 0.00 34.50 32.85 2dm3 s PRO 16 CO 0.02 -3.63 0.00 0.41 0.04 0.00 0.00 177.00 173.84 2dm3 n GLY 17 N -0.96 5.26 3.58 0.56 0.00 -1.26 -4.94 105.19 107.43 2dm3 n GLY 17 Ca 0.12 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 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 1.06 6.00 0.22 1.61 -4.77 -1.25 -4.27 116.67 115.26 2dm3 s ASP 18 Ca 0.00 0.49 0.10 0.00 -3.30 0.00 0.00 52.55 49.84 2dm3 s ASP 18 Cb 0.00 -2.54 -0.04 0.00 -1.09 0.00 0.00 42.92 39.25 2dm3 s ASP 18 CO 0.00 -1.77 -0.08 -0.76 0.70 0.00 0.00 175.17 173.26 2dm3 s LEU 19 N 6.53 2.98 -0.05 2.11 1.02 -1.19 -5.02 118.68 125.06 2dm3 s LEU 19 Ca 0.59 -0.67 0.02 0.00 0.02 0.00 0.00 54.13 54.09 2dm3 s LEU 19 Cb -0.13 -1.59 0.01 0.00 0.02 0.00 0.00 46.19 44.51 2dm3 s LEU 19 CO 0.26 0.06 -0.10 -0.89 0.02 0.00 0.00 176.35 175.70 2dm3 s THR 20 N -2.02 0.96 -0.13 5.49 2.01 -1.26 -1.31 115.64 119.38 2dm3 s THR 20 Ca 0.28 -0.39 -0.06 0.00 0.31 0.00 0.00 61.69 61.83 2dm3 s THR 20 Cb -0.07 -0.89 0.05 0.00 0.01 0.00 0.00 72.50 71.60 2dm3 s THR 20 CO 0.17 0.31 0.29 -0.69 -0.69 0.00 0.00 174.62 174.01 2dm3 s VAL 21 N 0.64 -0.12 0.66 3.82 1.01 -0.83 -5.02 120.40 120.56 2dm3 s VAL 21 Ca -0.12 0.16 -0.15 0.00 0.00 0.00 0.00 61.98 61.86 2dm3 s VAL 21 Cb -0.15 -0.45 0.00 0.00 0.00 0.00 0.00 36.38 35.78 2dm3 s VAL 21 CO 0.03 0.06 1.12 -1.58 0.00 0.00 0.00 175.10 174.73 2dm3 s GLN 22 N 1.53 2.74 0.54 2.72 0.74 -1.26 -3.14 119.66 123.53 2dm3 s GLN 22 Ca -0.07 1.43 -0.22 0.00 0.05 0.00 0.00 55.36 56.55 2dm3 s GLN 22 Cb -0.10 -1.94 -0.05 0.00 1.10 0.00 0.00 33.01 32.01 2dm3 s GLN 22 CO -0.10 -1.30 1.33 -1.91 -0.55 0.00 0.00 175.29 172.76 2dm3 n GLU 23 N -2.42 1.66 -2.31 1.67 2.13 -0.21 -2.70 120.64 118.46 2dm3 n GLU 23 Ca 0.11 0.61 -0.12 0.00 0.66 0.00 0.00 57.16 58.42 2dm3 n GLU 23 Cb 0.52 -2.53 -0.00 0.00 0.27 0.00 0.00 31.44 29.70 2dm3 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dm3 n GLY 24 N 0.80 -0.11 3.56 8.31 0.00 -0.46 -4.84 105.19 112.45 2dm3 n GLY 24 Ca 0.10 -0.36 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 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 -4.70 1.86 0.04 1.61 -0.14 -1.10 -4.76 119.74 112.55 2dm3 s LYS 25 Ca 0.03 -2.06 -0.26 0.00 -1.36 0.00 0.00 55.97 52.32 2dm3 s LYS 25 Cb -0.01 -1.27 -0.05 0.00 -1.68 0.00 0.00 37.83 34.82 2dm3 s LYS 25 CO 0.04 -0.16 0.80 -1.17 -0.76 0.00 0.00 175.35 174.10 2dm3 s LEU 26 N -3.63 4.44 -0.27 3.17 1.98 -1.26 -3.47 118.68 119.64 2dm3 s LEU 26 Ca 0.32 1.48 -0.01 0.00 -2.89 0.00 0.00 54.13 53.04 2dm3 s LEU 26 Cb 0.08 -3.28 0.08 0.00 0.66 0.00 0.00 46.19 43.73 2dm3 s LEU 26 CO 0.15 -0.02 0.05 0.00 -1.89 0.00 0.00 176.35 174.64 2dm3 s ARG 28 N 1.57 2.75 -0.08 0.00 3.52 -1.26 -1.30 118.95 124.14 2dm3 s ARG 28 Ca 0.04 -0.67 -0.03 0.00 -0.13 0.00 0.00 55.73 54.94 2dm3 s ARG 28 Cb -0.18 -2.65 0.05 0.00 -1.56 0.00 0.00 34.95 30.61 2dm3 s ARG 28 CO -0.16 0.60 0.16 -1.64 -0.81 0.00 0.00 175.30 173.45 2dm3 s MET 29 N -1.84 0.05 -0.11 5.12 -1.94 -1.03 -5.02 119.30 114.53 2dm3 s MET 29 Ca 0.22 0.52 0.02 0.00 -1.71 0.00 0.00 55.69 54.74 2dm3 s MET 29 Cb -0.12 -0.25 -0.01 0.00 2.01 0.00 0.00 34.83 36.46 2dm3 s MET 29 CO 0.14 -0.28 -0.17 0.16 -0.01 0.00 0.00 175.02 174.86 2dm3 s ASP 30 N 2.05 3.73 -0.02 3.03 -4.77 -1.26 -2.34 116.67 117.08 2dm3 s ASP 30 Ca 0.00 -0.38 0.02 0.00 -3.30 0.00 0.00 52.55 48.89 2dm3 s ASP 30 Cb -0.12 -1.46 0.01 0.00 -1.09 0.00 0.00 42.92 40.26 2dm3 s ASP 30 CO -0.06 0.18 -0.07 0.00 0.70 0.00 0.00 175.17 175.92 2dm3 s LYS 32 N 0.28 3.99 -0.02 0.00 2.36 0.22 -3.63 119.74 122.93 2dm3 s LYS 32 Ca -0.04 -0.33 0.01 0.00 -2.55 0.00 0.00 55.97 53.06 2dm3 s LYS 32 Cb -0.09 -3.29 0.01 0.00 -1.05 0.00 0.00 37.83 33.42 2dm3 s LYS 32 CO 0.00 0.21 -0.03 0.54 1.55 0.00 0.00 175.35 177.62 2dm3 s VAL 33 N 0.56 0.35 0.10 4.02 0.11 -1.26 0.06 120.40 124.34 2dm3 s VAL 33 Ca 0.04 -0.09 0.03 0.00 -2.93 0.00 0.00 61.98 59.04 2dm3 s VAL 33 Cb -0.13 -0.37 -0.04 0.00 -1.53 0.00 0.00 36.38 34.32 2dm3 s VAL 33 CO 0.01 0.15 0.11 -0.55 -3.33 0.00 0.00 175.10 171.49 2dm3 s SER 34 N 0.53 5.64 0.00 3.54 0.15 -1.06 -4.60 113.70 117.89 2dm3 s SER 34 Ca -0.06 0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.59 2dm3 s SER 34 Cb -0.09 -1.54 0.00 0.00 -1.71 0.00 0.00 66.02 62.68 2dm3 s SER 34 CO -0.01 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.19 2dm3 n GLY 35 N 0.24 3.85 2.91 9.45 0.00 -1.26 -3.07 105.19 117.31 2dm3 n GLY 35 Ca -0.08 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.37 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 1.22 0.00 0.99 2.96 -1.22 -3.45 118.68 119.18 2dm3 s LEU 36 Ca 0.00 -0.23 -0.06 0.00 -0.22 0.00 0.00 54.13 53.62 2dm3 s LEU 36 Cb 0.00 -0.70 0.09 0.00 0.50 0.00 0.00 46.19 46.07 2dm3 s LEU 36 CO 0.00 -0.08 0.30 -0.81 -1.32 0.00 0.00 176.35 174.44 2dm3 n PRO 37 N 4.54 -1.62 -1.67 0.98 -0.04 -1.26 -3.76 135.00 132.17 2dm3 n PRO 37 Ca -0.16 -0.49 -0.55 0.00 -0.04 0.00 0.00 63.50 62.26 2dm3 n PRO 37 Cb 0.51 -0.46 -0.07 0.00 -0.04 0.00 0.00 33.50 33.44 2dm3 n PRO 37 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2dm3 n THR 38 N -3.17 0.22 -2.18 0.52 -2.24 -1.22 -4.75 114.28 101.46 2dm3 n THR 38 Ca 0.04 -0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 2dm3 n THR 38 Cb 0.16 -1.15 -0.03 0.00 -2.10 0.00 0.00 70.33 67.22 2dm3 n THR 38 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2dm3 s PRO 39 N 2.58 4.27 -0.23 -0.78 0.04 -1.26 -4.91 135.00 134.71 2dm3 s PRO 39 Ca 0.93 2.02 -0.24 0.00 0.04 0.00 0.00 61.00 63.76 2dm3 s PRO 39 Cb -1.00 -3.56 -0.01 0.00 0.04 0.00 0.00 34.50 29.97 2dm3 s PRO 39 CO 0.58 -0.59 0.79 0.34 0.04 0.00 0.00 177.00 178.17 2dm3 s ASP 40 N 1.90 6.80 0.16 6.66 -1.08 -0.97 -4.84 116.67 125.30 2dm3 s ASP 40 Ca 0.65 0.99 0.10 0.00 -0.52 0.00 0.00 52.55 53.77 2dm3 s ASP 40 Cb -0.33 -2.42 -0.04 0.00 -1.46 0.00 0.00 42.92 38.67 2dm3 s ASP 40 CO 0.27 -0.47 -0.23 -1.48 0.52 0.00 0.00 175.17 173.79 2dm3 s LEU 41 N 2.68 2.39 -0.03 -1.34 2.34 -1.26 -0.08 118.68 123.38 2dm3 s LEU 41 Ca 0.34 -0.81 0.02 0.00 0.06 0.00 0.00 54.13 53.74 2dm3 s LEU 41 Cb -0.15 -1.05 0.01 0.00 -0.56 0.00 0.00 46.19 44.43 2dm3 s LEU 41 CO 0.08 0.08 -0.08 -0.55 -1.06 0.00 0.00 176.35 174.82 2dm3 s SER 42 N -2.42 1.16 0.18 1.48 0.15 -1.18 -4.97 113.70 108.10 2dm3 s SER 42 Ca 0.16 -0.18 -0.26 0.00 0.70 0.00 0.00 55.95 56.37 2dm3 s SER 42 Cb -0.08 -0.36 -0.08 0.00 -1.71 0.00 0.00 66.02 63.79 2dm3 s SER 42 CO 0.07 0.04 0.81 0.26 1.20 0.00 0.00 173.24 175.62 2dm3 s TRP 43 N 0.32 3.91 -0.04 3.44 0.52 -1.26 -3.43 118.94 122.39 2dm3 s TRP 43 Ca -0.05 1.68 -0.00 0.00 0.02 0.00 0.00 56.10 57.75 2dm3 s TRP 43 Cb -0.10 -2.80 0.03 0.00 -1.15 0.00 0.00 33.47 29.45 2dm3 s TRP 43 CO 0.01 0.49 0.00 -0.65 0.02 0.00 0.00 176.95 176.82 2dm3 s GLN 44 N -1.20 0.39 -0.17 4.98 -0.21 0.03 -2.59 119.66 120.88 2dm3 s GLN 44 Ca 0.37 0.09 0.01 0.00 0.02 0.00 0.00 55.36 55.85 2dm3 s GLN 44 Cb -0.23 -0.63 0.01 0.00 1.00 0.00 0.00 33.01 33.16 2dm3 s GLN 44 CO 0.27 -0.18 -0.18 -1.17 -2.12 0.00 0.00 175.29 171.91 2dm3 s LEU 45 N 1.32 2.25 -1.31 2.90 2.96 0.12 -0.81 118.68 126.10 2dm3 s LEU 45 Ca -0.05 -0.59 -0.00 0.00 -0.22 0.00 0.00 54.13 53.26 2dm3 s LEU 45 Cb -0.13 -1.51 -0.00 0.00 0.50 0.00 0.00 46.19 45.05 2dm3 s LEU 45 CO -0.02 0.02 0.67 -0.67 -1.32 0.00 0.00 176.35 175.03 2dm3 n ASP 46 N 4.47 -1.09 -3.37 3.68 2.03 -1.26 -1.46 116.55 119.56 2dm3 n ASP 46 Ca -0.20 -0.84 -0.24 0.00 0.52 0.00 0.00 54.79 54.03 2dm3 n ASP 46 Cb 0.51 -3.97 0.05 0.00 -0.72 0.00 0.00 41.12 36.98 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 -1.61 -0.53 3.10 0.27 0.00 -1.26 -4.99 105.19 100.18 2dm3 n GLY 47 Ca -0.30 0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 -6.07 0.37 -0.19 1.61 1.02 -0.53 -5.12 119.74 110.82 2dm3 s LYS 48 Ca 0.46 -0.02 -0.29 0.00 0.02 0.00 0.00 55.97 56.14 2dm3 s LYS 48 Cb -0.21 0.16 -0.03 0.00 -0.52 0.00 0.00 37.83 37.23 2dm3 s LYS 48 CO 0.57 -0.07 1.59 -1.25 -0.92 0.00 0.00 175.35 175.26 2dm3 s PRO 49 N -0.59 3.88 -0.53 -1.68 0.04 -1.26 0.14 135.00 135.01 2dm3 s PRO 49 Ca -0.07 1.73 -0.18 0.00 0.04 0.00 0.00 61.00 62.53 2dm3 s PRO 49 Cb -0.04 -4.01 0.09 0.00 0.04 0.00 0.00 34.50 30.58 2dm3 s PRO 49 CO 0.01 -1.18 0.56 0.54 0.04 0.00 0.00 177.00 176.97 2dm3 s VAL 50 N 4.89 5.02 0.02 -0.36 0.11 -1.07 -4.90 120.40 124.11 2dm3 s VAL 50 Ca 0.70 -0.96 0.01 0.00 -2.93 0.00 0.00 61.98 58.80 2dm3 s VAL 50 Cb -0.26 -4.31 -0.04 0.00 -1.53 0.00 0.00 36.38 30.24 2dm3 s VAL 50 CO 0.28 -0.84 0.09 0.00 -3.33 0.00 0.00 175.10 171.29 2dm3 s ARG 51 N 2.20 3.03 -0.32 1.54 1.70 -1.26 -4.66 118.95 121.17 2dm3 s ARG 51 Ca 0.09 -0.54 -0.29 0.00 -0.47 0.00 0.00 55.73 54.52 2dm3 s ARG 51 Cb -0.24 -2.83 -0.01 0.00 -0.57 0.00 0.00 34.95 31.30 2dm3 s ARG 51 CO 0.07 0.62 1.68 -1.25 -1.08 0.00 0.00 175.30 175.35 2dm3 s PRO 52 N -1.95 3.48 -0.00 3.89 0.04 -1.26 -4.82 135.00 134.39 2dm3 s PRO 52 Ca 0.25 1.37 -0.03 0.00 0.04 0.00 0.00 61.00 62.64 2dm3 s PRO 52 Cb -0.12 -4.13 -0.01 0.00 0.04 0.00 0.00 34.50 30.28 2dm3 s PRO 52 CO 0.17 -1.68 -0.05 -3.47 0.04 0.00 0.00 177.00 172.00 2dm3 n ASP 53 N 9.60 0.59 0.10 6.66 2.03 -1.22 -4.98 116.55 129.33 2dm3 n ASP 53 Ca 0.21 0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.60 2dm3 n ASP 53 Cb 0.47 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 2dm3 n ASP 53 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2dm3 n SER 54 N -3.06 0.11 0.07 1.67 3.41 -1.26 -4.91 113.62 109.65 2dm3 n SER 54 Ca -0.02 0.33 -0.21 0.00 -0.26 0.00 0.00 58.87 58.70 2dm3 n SER 54 Cb 0.08 0.19 -0.13 0.00 -0.26 0.00 0.00 64.21 64.08 2dm3 n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dm3 h ALA 55 N 0.00 -0.02 -2.13 7.33 0.00 -1.94 -3.44 119.26 119.07 2dm3 h ALA 55 Ca 0.00 -0.73 -0.57 0.00 0.00 0.00 0.00 54.91 53.60 2dm3 h ALA 55 Cb 0.05 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 2dm3 h ALA 55 CO 0.00 0.58 0.82 -1.01 0.00 0.00 0.00 179.25 179.65 2dm3 s HIS 56 N -2.91 3.15 -0.29 0.00 3.76 -1.26 -2.32 115.29 115.42 2dm3 s HIS 56 Ca -0.11 1.28 0.03 0.00 -0.15 0.00 0.00 55.06 56.12 2dm3 s HIS 56 Cb 0.04 -3.36 0.08 0.00 1.11 0.00 0.00 32.58 30.44 2dm3 s HIS 56 CO 0.90 -0.98 -0.05 0.21 -0.85 0.00 0.00 174.74 173.97 2dm3 s LYS 57 N 3.21 1.93 -0.15 1.40 2.20 0.10 -3.37 119.74 125.06 2dm3 s LYS 57 Ca 0.49 -1.55 -0.03 0.00 -0.36 0.00 0.00 55.97 54.52 2dm3 s LYS 57 Cb -0.18 -3.00 -0.03 0.00 -1.51 0.00 0.00 37.83 33.11 2dm3 s LYS 57 CO 0.11 -0.71 -0.04 -1.64 -0.36 0.00 0.00 175.35 172.70 2dm3 s MET 58 N 1.03 3.65 0.24 4.03 -1.94 -1.26 -0.46 119.30 124.59 2dm3 s MET 58 Ca -0.01 -0.53 0.11 0.00 -1.71 0.00 0.00 55.69 53.55 2dm3 s MET 58 Cb -0.20 -2.89 -0.05 0.00 2.01 0.00 0.00 34.83 33.70 2dm3 s MET 58 CO -0.06 0.24 -0.17 -0.51 -0.01 0.00 0.00 175.02 174.51 2dm3 s LEU 59 N 0.36 2.69 -0.28 -0.03 1.02 -0.88 -4.98 118.68 116.59 2dm3 s LEU 59 Ca -0.05 -0.86 0.02 0.00 0.02 0.00 0.00 54.13 53.27 2dm3 s LEU 59 Cb -0.14 -1.29 0.07 0.00 0.02 0.00 0.00 46.19 44.85 2dm3 s LEU 59 CO 0.03 0.07 -0.04 -0.69 0.02 0.00 0.00 176.35 175.74 2dm3 s VAL 60 N -2.13 1.95 1.17 -1.59 1.01 -1.26 -3.01 120.40 116.54 2dm3 s VAL 60 Ca 0.27 -1.70 -0.20 0.00 0.00 0.00 0.00 61.98 60.36 2dm3 s VAL 60 Cb -0.07 -2.22 0.30 0.00 0.00 0.00 0.00 36.38 34.39 2dm3 s VAL 60 CO 0.14 -0.24 0.84 0.54 0.00 0.00 0.00 175.10 176.39 2dm3 n ARG 61 N 4.47 -3.74 0.09 2.72 5.12 0.17 -4.96 116.66 120.54 2dm3 n ARG 61 Ca -0.08 -1.38 0.05 0.00 -1.93 0.00 0.00 57.85 54.51 2dm3 n ARG 61 Cb 0.43 -1.53 -0.02 0.00 -1.16 0.00 0.00 32.46 30.18 2dm3 n ARG 61 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2dm3 h GLU 62 N 0.00 0.00 -0.64 5.56 4.39 -2.00 -3.30 114.58 118.59 2dm3 h GLU 62 Ca -0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.35 2dm3 h GLU 62 Cb 1.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 2dm3 h GLU 62 CO 0.22 0.21 0.00 0.09 -1.16 0.00 0.00 179.01 178.36 2dm3 n ASN 63 N -2.89 4.83 0.00 1.42 3.02 -1.26 -4.91 115.26 115.46 2dm3 n ASN 63 Ca -0.04 -2.57 0.00 0.00 -0.03 0.00 0.00 54.58 51.94 2dm3 n ASN 63 Cb 0.70 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 39.27 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 0.92 2.80 3.30 7.41 0.00 -1.24 -4.89 105.19 113.50 2dm3 n GLY 64 Ca 0.25 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 2dm3 n GLY 64 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2dm3 n VAL 65 N 0.00 0.55 -4.31 1.61 0.31 -1.26 -4.51 118.33 110.72 2dm3 n VAL 65 Ca 0.00 -0.50 -0.16 0.00 -0.01 0.00 0.00 64.34 63.67 2dm3 n VAL 65 Cb 0.00 -0.15 -0.10 0.00 -0.91 0.00 0.00 33.84 32.68 2dm3 n VAL 65 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2dm3 s HIS 66 N -1.90 1.50 -0.13 3.52 3.76 -1.24 -0.66 115.29 120.14 2dm3 s HIS 66 Ca 0.60 -0.73 -0.04 0.00 -0.15 0.00 0.00 55.06 54.74 2dm3 s HIS 66 Cb -0.50 -0.77 0.06 0.00 1.11 0.00 0.00 32.58 32.48 2dm3 s HIS 66 CO 0.63 0.16 0.18 -1.12 -0.85 0.00 0.00 174.74 173.74 2dm3 s SER 67 N -3.26 1.04 -0.43 1.40 0.01 -1.16 -3.52 113.70 107.78 2dm3 s SER 67 Ca 0.21 0.11 -0.12 0.00 1.31 0.00 0.00 55.95 57.46 2dm3 s SER 67 Cb 0.02 0.30 0.06 0.00 0.21 0.00 0.00 66.02 66.62 2dm3 s SER 67 CO 0.05 -0.28 0.30 -0.22 0.41 0.00 0.00 173.24 173.50 2dm3 s LEU 68 N 2.30 5.23 -0.24 2.44 2.96 -0.99 -2.07 118.68 128.32 2dm3 s LEU 68 Ca 0.04 -1.31 -0.05 0.00 -0.22 0.00 0.00 54.13 52.59 2dm3 s LEU 68 Cb -0.13 -2.07 -0.01 0.00 0.50 0.00 0.00 46.19 44.47 2dm3 s LEU 68 CO -0.08 -0.54 0.01 -0.63 -1.32 0.00 0.00 176.35 173.79 2dm3 s ILE 69 N 1.54 3.76 -0.19 6.68 1.01 0.39 -2.46 121.20 131.93 2dm3 s ILE 69 Ca 0.03 -0.41 -0.03 0.00 0.00 0.00 0.00 60.65 60.24 2dm3 s ILE 69 Cb -0.22 -2.76 -0.01 0.00 0.01 0.00 0.00 42.46 39.47 2dm3 s ILE 69 CO 0.05 0.35 -0.05 -0.63 0.00 0.00 0.00 174.94 174.66 2dm3 s ILE 70 N 1.53 3.46 -0.29 2.92 1.01 -0.42 0.03 121.20 129.43 2dm3 s ILE 70 Ca 0.06 -0.48 -0.14 0.00 0.00 0.00 0.00 60.65 60.09 2dm3 s ILE 70 Cb -0.15 -2.54 0.13 0.00 0.01 0.00 0.00 42.46 39.91 2dm3 s ILE 70 CO -0.00 0.45 0.80 -0.70 0.00 0.00 0.00 174.94 175.49 2dm3 s GLU 71 N 1.01 0.51 0.00 2.79 -6.30 -0.98 -2.13 118.70 113.60 2dm3 s GLU 71 Ca 0.00 1.08 0.00 0.00 -2.50 0.00 0.00 54.97 53.55 2dm3 s GLU 71 Cb -0.15 0.44 0.00 0.00 0.00 0.00 0.00 34.13 34.43 2dm3 s GLU 71 CO 0.00 -0.14 0.00 -0.35 0.02 0.00 0.00 175.26 174.79 2dm3 n PRO 72 N 4.73 -0.81 -5.00 4.30 -0.04 -1.26 -4.44 135.00 132.48 2dm3 n PRO 72 Ca -0.15 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.04 2dm3 n PRO 72 Cb 0.54 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.84 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 -0.89 1.62 0.32 0.52 1.01 -1.23 -4.89 120.40 116.86 2dm3 s VAL 73 Ca 0.00 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.19 2dm3 s VAL 73 Cb 0.00 -1.35 -0.06 0.00 0.00 0.00 0.00 36.38 34.97 2dm3 s VAL 73 CO 0.00 0.46 -0.04 0.42 0.00 0.00 0.00 175.10 175.93 2dm3 s THR 74 N -0.39 1.78 0.25 3.92 -4.23 -1.26 -1.35 115.64 114.35 2dm3 s THR 74 Ca 0.06 -2.11 0.26 0.00 -1.18 0.00 0.00 61.69 58.71 2dm3 s THR 74 Cb -0.09 -2.62 0.26 0.00 1.34 0.00 0.00 72.50 71.39 2dm3 s THR 74 CO -0.00 -0.20 1.76 0.28 -0.54 0.00 0.00 174.62 175.92 2dm3 h SER 75 N 2.13 0.00 0.17 3.99 0.02 -1.95 0.76 113.55 118.66 2dm3 h SER 75 Ca -0.41 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.32 2dm3 h SER 75 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2dm3 h SER 75 CO 0.70 0.00 -0.86 -0.09 -1.14 0.00 0.00 176.83 175.44 2dm3 h ARG 76 N 0.00 0.53 -0.22 3.45 2.43 -2.00 -3.13 114.38 115.44 2dm3 h ARG 76 Ca 0.00 -0.50 0.06 0.00 -0.81 0.00 0.00 59.98 58.74 2dm3 h ARG 76 Cb 0.35 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2dm3 h ARG 76 CO 0.00 1.13 0.16 -0.44 -1.51 0.00 0.00 179.97 179.31 2dm3 h ASP 77 N 0.33 0.00 -3.12 -3.80 3.32 -1.24 -3.40 116.42 108.51 2dm3 h ASP 77 Ca -0.07 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.43 2dm3 h ASP 77 Cb 1.48 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 41.00 2dm3 h ASP 77 CO 0.16 0.00 0.68 0.00 -1.72 0.00 0.00 179.24 178.36 2dm3 s ALA 78 N -5.05 3.48 0.00 3.45 0.00 -1.19 -4.90 121.76 117.57 2dm3 s ALA 78 Ca -0.05 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.46 2dm3 s ALA 78 Cb 0.18 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.80 2dm3 s ALA 78 CO 0.69 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 176.12 2dm3 n GLY 79 N 3.31 -0.53 3.30 0.00 0.00 -1.06 -4.97 105.19 105.24 2dm3 n GLY 79 Ca 0.11 -0.88 -0.46 0.00 0.00 0.00 0.00 46.02 44.79 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 -3.28 5.21 -0.44 -0.61 -1.09 -1.26 -2.36 121.20 117.37 2dm3 s ILE 80 Ca 0.00 -1.98 -0.29 0.00 -2.23 0.00 0.00 60.65 56.15 2dm3 s ILE 80 Cb 0.00 -4.30 0.01 0.00 -1.58 0.00 0.00 42.46 36.59 2dm3 s ILE 80 CO 0.00 -0.93 1.42 -0.31 -1.23 0.00 0.00 174.94 173.89 2dm3 s TYR 81 N 0.93 2.36 -0.12 3.97 2.02 -1.11 -4.15 117.35 121.25 2dm3 s TYR 81 Ca 0.10 0.64 -0.12 0.00 -0.37 0.00 0.00 57.07 57.31 2dm3 s TYR 81 Cb -0.21 -4.33 -0.05 0.00 -0.40 0.00 0.00 41.96 36.97 2dm3 s TYR 81 CO -0.02 -1.99 0.28 0.99 -1.57 0.00 0.00 175.55 173.24 2dm3 s THR 82 N 5.61 5.29 0.04 -0.71 2.01 0.01 -3.56 115.64 124.34 2dm3 s THR 82 Ca 0.60 0.52 0.04 0.00 0.31 0.00 0.00 61.69 63.16 2dm3 s THR 82 Cb -0.13 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.76 2dm3 s THR 82 CO 0.31 0.47 -0.11 0.00 -0.69 0.00 0.00 174.62 174.60 2dm3 s ILE 84 N -0.95 0.34 -0.41 0.00 1.09 -1.22 -2.57 121.20 117.47 2dm3 s ILE 84 Ca -0.02 -0.19 -0.16 0.00 -1.10 0.00 0.00 60.65 59.18 2dm3 s ILE 84 Cb -0.08 -0.73 0.02 0.00 -1.06 0.00 0.00 42.46 40.61 2dm3 s ILE 84 CO 0.01 -0.03 0.39 0.00 -0.10 0.00 0.00 174.94 175.21 2dm3 s ALA 85 N 1.96 3.45 -0.30 9.38 0.00 0.32 -3.13 121.76 133.44 2dm3 s ALA 85 Ca 0.02 -1.53 -0.08 0.00 0.00 0.00 0.00 51.96 50.37 2dm3 s ALA 85 Cb -0.15 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.00 2dm3 s ALA 85 CO -0.07 -1.48 0.11 0.99 0.00 0.00 0.00 175.76 175.31 2dm3 s THR 86 N 1.99 4.19 0.19 0.00 2.01 0.88 -0.70 115.64 124.20 2dm3 s THR 86 Ca 0.10 -0.59 0.11 0.00 0.31 0.00 0.00 61.69 61.62 2dm3 s THR 86 Cb -0.18 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.14 2dm3 s THR 86 CO 0.12 0.08 -0.24 0.21 -0.69 0.00 0.00 174.62 174.10 2dm3 s ASN 87 N 1.54 3.44 0.61 3.53 2.47 0.84 -2.29 114.94 125.08 2dm3 s ASN 87 Ca 0.03 -0.85 0.26 0.00 0.42 0.00 0.00 52.86 52.72 2dm3 s ASN 87 Cb -0.17 -0.26 0.92 0.00 -1.45 0.00 0.00 41.25 40.29 2dm3 s ASN 87 CO 0.04 0.13 1.33 -0.09 -3.72 0.00 0.00 177.10 174.79 2dm3 h ARG 88 N 3.25 0.00 0.05 0.43 9.65 -1.85 0.98 114.38 126.88 2dm3 h ARG 88 Ca -0.47 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.41 2dm3 h ARG 88 Cb 1.20 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.78 2dm3 h ARG 88 CO 0.47 0.00 -0.02 0.00 2.80 0.00 0.00 179.97 183.22 2dm3 h ALA 89 N 0.58 -0.07 -3.00 2.80 0.00 -1.85 -3.50 119.26 114.21 2dm3 h ALA 89 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.35 2dm3 h ALA 89 Cb 2.76 0.02 0.00 0.00 0.00 0.00 0.00 17.79 20.57 2dm3 h ALA 89 CO -0.00 -0.07 0.00 0.41 0.00 0.00 0.00 179.25 179.59 2dm3 n GLY 90 N 1.64 3.84 3.19 0.00 0.00 0.34 -4.97 105.19 109.22 2dm3 n GLY 90 Ca -0.01 -0.39 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 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 3.62 0.55 0.16 1.61 0.74 -1.26 -0.12 119.66 124.96 2dm3 s GLN 91 Ca 0.00 -0.12 -0.02 0.00 0.05 0.00 0.00 55.36 55.27 2dm3 s GLN 91 Cb 0.00 0.24 -0.04 0.00 1.10 0.00 0.00 33.01 34.32 2dm3 s GLN 91 CO 0.00 -0.13 0.11 1.21 -0.55 0.00 0.00 175.29 175.93 2dm3 s ASN 92 N -1.02 0.22 0.06 6.67 3.84 0.12 -4.91 114.94 119.93 2dm3 s ASN 92 Ca -0.11 -1.22 -0.18 0.00 0.21 0.00 0.00 52.86 51.55 2dm3 s ASN 92 Cb -0.05 0.34 0.04 0.00 -0.55 0.00 0.00 41.25 41.03 2dm3 s ASN 92 CO 0.03 -0.79 0.43 -0.94 -2.79 0.00 0.00 177.10 173.04 2dm3 s SER 93 N -3.07 -0.30 -0.18 -4.21 1.04 -1.26 -0.52 113.70 105.19 2dm3 s SER 93 Ca 0.28 -0.04 -0.16 0.00 0.48 0.00 0.00 55.95 56.51 2dm3 s SER 93 Cb 0.07 0.45 0.05 0.00 0.10 0.00 0.00 66.02 66.68 2dm3 s SER 93 CO 0.05 -0.72 0.47 0.72 0.98 0.00 0.00 173.24 174.75 2dm3 s PHE 94 N -2.78 -0.54 0.14 5.02 -0.71 -1.06 -5.02 117.98 113.03 2dm3 s PHE 94 Ca -0.03 1.29 0.07 0.00 -1.04 0.00 0.00 56.93 57.21 2dm3 s PHE 94 Cb -0.00 0.19 -0.04 0.00 -1.21 0.00 0.00 43.02 41.96 2dm3 s PHE 94 CO -0.05 -0.26 -0.03 -1.54 -1.34 0.00 0.00 175.22 172.01 2dm3 s SER 95 N 0.37 4.74 0.04 1.98 1.04 -1.26 -3.08 113.70 117.53 2dm3 s SER 95 Ca -0.01 -0.34 -0.14 0.00 0.48 0.00 0.00 55.95 55.95 2dm3 s SER 95 Cb -0.04 -1.02 0.02 0.00 0.10 0.00 0.00 66.02 65.09 2dm3 s SER 95 CO -0.01 0.13 0.30 -1.48 0.98 0.00 0.00 173.24 173.17 2dm3 s LEU 96 N -2.60 0.90 -0.10 2.42 0.05 -1.23 -5.02 118.68 113.09 2dm3 s LEU 96 Ca 0.25 -0.18 0.01 0.00 0.05 0.00 0.00 54.13 54.26 2dm3 s LEU 96 Cb -0.10 1.33 -0.02 0.00 -2.05 0.00 0.00 46.19 45.35 2dm3 s LEU 96 CO 0.17 -0.60 -0.13 -0.70 -0.55 0.00 0.00 176.35 174.54 2dm3 s GLU 97 N -2.48 3.11 -0.11 1.48 2.12 -1.26 -2.76 118.70 118.80 2dm3 s GLU 97 Ca -0.05 -0.67 0.01 0.00 0.36 0.00 0.00 54.97 54.61 2dm3 s GLU 97 Cb -0.01 -2.57 0.02 0.00 0.26 0.00 0.00 34.13 31.83 2dm3 s GLU 97 CO -0.03 0.36 -0.12 -1.17 -0.54 0.00 0.00 175.26 173.77 2dm3 s LEU 98 N -0.03 1.50 -0.07 2.70 2.96 -0.99 -3.15 118.68 121.60 2dm3 s LEU 98 Ca -0.03 -0.37 -0.04 0.00 -0.22 0.00 0.00 54.13 53.47 2dm3 s LEU 98 Cb -0.14 -0.97 -0.04 0.00 0.50 0.00 0.00 46.19 45.55 2dm3 s LEU 98 CO 0.04 -0.04 0.14 -0.69 -1.32 0.00 0.00 176.35 174.47 2dm3 s VAL 99 N 1.29 5.32 -0.06 1.68 1.01 -0.43 -2.55 120.40 126.66 2dm3 s VAL 99 Ca -0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 2dm3 s VAL 99 Cb -0.14 -3.38 0.03 0.00 0.00 0.00 0.00 36.38 32.89 2dm3 s VAL 99 CO -0.05 0.49 0.01 -0.69 0.00 0.00 0.00 175.10 174.86 2dm3 s VAL 100 N -1.14 0.31 -0.23 2.92 1.01 -1.26 -1.97 120.40 120.04 2dm3 s VAL 100 Ca 0.20 0.15 -0.17 0.00 0.00 0.00 0.00 61.98 62.15 2dm3 s VAL 100 Cb -0.12 -0.47 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 2dm3 s VAL 100 CO 0.10 0.24 0.48 0.00 0.00 0.00 0.00 175.10 175.92 2dm3 s ALA 101 N 1.89 3.57 0.57 5.51 0.00 -1.19 -4.88 121.76 127.23 2dm3 s ALA 101 Ca 0.03 -0.56 -0.17 0.00 0.00 0.00 0.00 51.96 51.26 2dm3 s ALA 101 Cb -0.12 -2.80 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 2dm3 s ALA 101 CO -0.04 -0.56 1.08 0.00 0.00 0.00 0.00 175.76 176.23 2dm3 s ALA 102 N 1.90 2.71 0.36 0.00 0.00 -1.26 -1.05 121.76 124.42 2dm3 s ALA 102 Ca 0.21 0.56 0.25 0.00 0.00 0.00 0.00 51.96 52.98 2dm3 s ALA 102 Cb -0.15 -3.28 1.27 0.00 0.00 0.00 0.00 23.12 20.95 2dm3 s ALA 102 CO 0.09 -0.78 1.37 0.36 0.00 0.00 0.00 175.76 176.80 2dm3 n LYS 103 N -1.72 -0.04 -3.68 0.00 2.85 -1.26 -3.97 118.16 110.34 2dm3 n LYS 103 Ca 0.10 1.14 -0.16 0.00 -1.05 0.00 0.00 58.31 58.34 2dm3 n LYS 103 Cb 0.52 -2.17 -0.15 0.00 -0.65 0.00 0.00 35.03 32.58 2dm3 n LYS 103 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2dm3 s GLU 104 N -5.14 0.07 -0.07 -1.58 0.41 -1.26 -5.12 118.70 106.01 2dm3 s GLU 104 Ca -0.07 0.57 -0.07 0.00 -0.41 0.00 0.00 54.97 54.99 2dm3 s GLU 104 Cb 0.28 -0.21 0.02 0.00 -1.78 0.00 0.00 34.13 32.44 2dm3 s GLU 104 CO 0.71 -0.28 0.19 -1.12 -0.49 0.00 0.00 175.26 174.27 2dm3 s SER 105 N 2.11 -0.19 -0.45 -0.19 0.01 -1.25 -5.10 113.70 108.63 2dm3 s SER 105 Ca 0.00 0.35 0.06 0.00 1.31 0.00 0.00 55.95 57.67 2dm3 s SER 105 Cb -0.12 0.38 0.20 0.00 0.21 0.00 0.00 66.02 66.70 2dm3 s SER 105 CO -0.06 -0.09 0.56 0.61 0.41 0.00 0.00 173.24 174.66 2dm3 n GLY 106 N 2.84 1.29 3.65 3.44 0.00 -1.26 -5.09 105.19 110.07 2dm3 n GLY 106 Ca -0.13 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.76 2dm3 n GLY 106 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dm3 s PRO 107 N 0.08 4.07 -0.05 1.61 0.04 -1.26 -4.97 135.00 134.53 2dm3 s PRO 107 Ca 0.33 1.90 -0.30 0.00 0.04 0.00 0.00 61.00 62.97 2dm3 s PRO 107 Cb 0.09 -3.95 -0.04 0.00 0.04 0.00 0.00 34.50 30.63 2dm3 s PRO 107 CO -0.15 -0.95 1.38 0.45 0.04 0.00 0.00 177.00 177.77 2dm3 s SER 108 N 3.30 6.87 0.47 6.66 0.15 -1.26 -4.98 113.70 124.92 2dm3 s SER 108 Ca 0.68 2.00 -0.24 0.00 0.70 0.00 0.00 55.95 59.10 2dm3 s SER 108 Cb -0.28 -2.55 -0.07 0.00 -1.71 0.00 0.00 66.02 61.41 2dm3 s SER 108 CO 0.26 -0.74 1.34 -0.94 1.20 0.00 0.00 173.24 174.36 2dm3 s SER 109 N 2.04 5.83 0.00 5.45 1.04 -1.26 -5.37 113.70 121.43 2dm3 s SER 109 Ca 0.62 2.72 0.00 0.00 0.48 0.00 0.00 55.95 59.77 2dm3 s SER 109 Cb -0.29 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.20 2dm3 s SER 109 CO 0.24 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.88