#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm4 n SER 2 N 0.00 -3.59 -4.59 1.61 7.64 -1.26 -4.82 113.62 108.61 2dm4 n SER 2 Ca 0.00 -0.95 -0.42 0.00 1.01 0.00 0.00 58.87 58.52 2dm4 n SER 2 Cb 0.00 -3.09 -0.03 0.00 -1.01 0.00 0.00 64.21 60.08 2dm4 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dm4 s SER 3 N -3.35 5.67 0.00 6.43 1.04 -1.26 -4.40 113.70 117.83 2dm4 s SER 3 Ca 0.69 1.21 0.00 0.00 0.48 0.00 0.00 55.95 58.32 2dm4 s SER 3 Cb -0.37 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.23 2dm4 s SER 3 CO 0.90 -1.90 0.00 0.61 0.98 0.00 0.00 173.24 173.82 2dm4 n GLY 4 N 5.53 1.14 3.64 7.32 0.00 -1.26 -4.97 105.19 116.59 2dm4 n GLY 4 Ca 0.24 -0.95 -0.07 0.00 0.00 0.00 0.00 46.02 45.24 2dm4 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dm4 s SER 5 N -4.00 -0.46 -0.07 1.61 1.04 -1.26 -5.16 113.70 105.39 2dm4 s SER 5 Ca 0.00 0.83 0.02 0.00 0.48 0.00 0.00 55.95 57.29 2dm4 s SER 5 Cb 0.00 0.97 0.01 0.00 0.10 0.00 0.00 66.02 67.10 2dm4 s SER 5 CO 0.00 -0.14 -0.12 -0.94 0.98 0.00 0.00 173.24 173.02 2dm4 s SER 6 N 0.62 1.83 0.00 7.02 1.04 -1.26 -5.10 113.70 117.84 2dm4 s SER 6 Ca -0.01 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.11 2dm4 s SER 6 Cb -0.05 -0.84 0.00 0.00 0.10 0.00 0.00 66.02 65.23 2dm4 s SER 6 CO -0.10 0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.76 2dm4 n GLY 7 N 3.88 2.85 0.14 7.32 0.00 -1.26 -4.99 105.19 113.14 2dm4 n GLY 7 Ca -0.22 -1.63 -0.12 0.00 0.00 0.00 0.00 46.02 44.04 2dm4 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm4 h PRO 8 N 0.00 -0.23 -4.56 1.61 0.13 -1.96 -3.46 132.00 123.54 2dm4 h PRO 8 Ca 0.00 0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 64.96 2dm4 h PRO 8 Cb 0.00 0.05 -0.11 0.00 0.13 0.00 0.00 31.00 31.07 2dm4 h PRO 8 CO 0.00 0.17 -0.26 -0.25 -0.23 0.00 0.00 178.00 177.43 2dm4 n ASP 9 N -4.98 -0.89 -3.67 1.44 9.92 -0.61 -4.67 116.55 113.08 2dm4 n ASP 9 Ca -0.09 -0.17 -0.14 0.00 -0.53 0.00 0.00 54.79 53.86 2dm4 n ASP 9 Cb 0.26 -0.83 -0.08 0.00 -0.64 0.00 0.00 41.12 39.83 2dm4 n ASP 9 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2dm4 s ALA 10 N -1.82 -1.43 1.12 2.24 0.00 -1.26 -3.18 121.76 117.43 2dm4 s ALA 10 Ca 0.24 1.60 -0.16 0.00 0.00 0.00 0.00 51.96 53.64 2dm4 s ALA 10 Cb -0.14 -0.91 0.25 0.00 0.00 0.00 0.00 23.12 22.32 2dm4 s ALA 10 CO 0.30 -0.27 1.10 -1.25 0.00 0.00 0.00 175.76 175.63 2dm4 s PRO 11 N 0.25 -0.55 0.26 0.00 0.04 -1.26 -3.93 135.00 129.80 2dm4 s PRO 11 Ca -0.00 0.18 -0.03 0.00 0.04 0.00 0.00 61.00 61.18 2dm4 s PRO 11 Cb -0.04 -1.65 -0.02 0.00 0.04 0.00 0.00 34.50 32.83 2dm4 s PRO 11 CO 0.01 -3.31 0.31 1.03 0.04 0.00 0.00 177.00 175.07 2dm4 s ARG 12 N -5.21 1.50 -0.96 4.56 0.52 -1.04 -4.72 118.95 113.60 2dm4 s ARG 12 Ca 0.69 -1.61 -0.03 0.00 -0.52 0.00 0.00 55.73 54.26 2dm4 s ARG 12 Cb -0.14 0.36 -0.03 0.00 0.52 0.00 0.00 34.95 35.67 2dm4 s ARG 12 CO 0.57 -0.57 0.82 0.09 0.02 0.00 0.00 175.30 176.23 2dm4 n ASN 13 N -0.69 -3.99 -4.59 0.23 3.02 -1.26 0.16 115.26 108.13 2dm4 n ASN 13 Ca 0.02 -0.57 -0.42 0.00 -0.03 0.00 0.00 54.58 53.57 2dm4 n ASN 13 Cb 0.64 -4.51 -0.02 0.00 -0.61 0.00 0.00 39.78 35.28 2dm4 n ASN 13 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2dm4 s LEU 14 N -5.40 3.52 -0.23 3.41 2.96 -1.26 -3.85 118.68 117.83 2dm4 s LEU 14 Ca 0.19 0.45 0.01 0.00 -0.22 0.00 0.00 54.13 54.57 2dm4 s LEU 14 Cb -0.03 -3.33 0.06 0.00 0.50 0.00 0.00 46.19 43.39 2dm4 s LEU 14 CO 0.63 -1.48 -0.06 -1.10 -1.32 0.00 0.00 176.35 173.01 2dm4 s GLN 15 N 5.00 1.72 -0.05 1.98 -0.21 0.03 -4.94 119.66 123.19 2dm4 s GLN 15 Ca 0.52 -1.01 -0.21 0.00 0.02 0.00 0.00 55.36 54.68 2dm4 s GLN 15 Cb -0.10 -2.60 -0.04 0.00 1.00 0.00 0.00 33.01 31.27 2dm4 s GLN 15 CO 0.29 -0.58 0.62 -0.51 -2.12 0.00 0.00 175.29 172.99 2dm4 s LEU 16 N 1.37 4.34 0.44 2.90 2.01 -1.26 -1.22 118.68 127.26 2dm4 s LEU 16 Ca -0.06 1.10 0.04 0.00 0.01 0.00 0.00 54.13 55.23 2dm4 s LEU 16 Cb -0.19 -2.95 -0.01 0.00 0.01 0.00 0.00 46.19 43.05 2dm4 s LEU 16 CO -0.06 -0.02 0.14 -0.44 1.01 0.00 0.00 176.35 176.98 2dm4 s SER 17 N 0.42 3.01 -0.01 2.29 0.01 0.85 -4.96 113.70 115.31 2dm4 s SER 17 Ca 0.33 -1.75 0.02 0.00 1.31 0.00 0.00 55.95 55.86 2dm4 s SER 17 Cb -0.17 0.63 0.00 0.00 0.21 0.00 0.00 66.02 66.69 2dm4 s SER 17 CO 0.16 -1.00 -0.07 -0.76 0.41 0.00 0.00 173.24 171.98 2dm4 s LEU 18 N -3.65 1.87 0.09 2.44 1.43 -1.26 0.41 118.68 120.01 2dm4 s LEU 18 Ca 0.20 -0.13 -0.31 0.00 -1.03 0.00 0.00 54.13 52.86 2dm4 s LEU 18 Cb 0.01 -0.40 -0.07 0.00 0.03 0.00 0.00 46.19 45.76 2dm4 s LEU 18 CO 0.14 0.06 1.37 -2.16 0.23 0.00 0.00 176.35 175.99 2dm4 s PRO 19 N 0.06 4.33 0.00 1.29 0.04 -1.26 -4.89 135.00 134.56 2dm4 s PRO 19 Ca -0.00 2.03 0.24 0.00 0.04 0.00 0.00 61.00 63.30 2dm4 s PRO 19 Cb -0.05 -3.30 1.37 0.00 0.04 0.00 0.00 34.50 32.55 2dm4 s PRO 19 CO -0.00 -0.44 1.78 2.89 0.04 0.00 0.00 177.00 181.27 2dm4 n ARG 20 N 4.14 0.67 -0.20 4.56 1.85 -1.26 -2.53 116.66 123.89 2dm4 n ARG 20 Ca 0.11 0.01 0.05 0.00 -1.00 0.00 0.00 57.85 57.03 2dm4 n ARG 20 Cb 0.43 -1.50 0.07 0.00 -1.05 0.00 0.00 32.46 30.41 2dm4 n ARG 20 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2dm4 n GLU 21 N -1.05 0.93 -3.76 2.89 1.02 -1.26 -5.00 120.64 114.41 2dm4 n GLU 21 Ca 0.17 -1.80 -0.13 0.00 -0.02 0.00 0.00 57.16 55.38 2dm4 n GLU 21 Cb 0.10 -1.04 -0.10 0.00 -0.02 0.00 0.00 31.44 30.37 2dm4 n GLU 21 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dm4 s ALA 22 N -1.53 -0.84 0.31 0.62 0.00 -1.05 -5.17 121.76 114.11 2dm4 s ALA 22 Ca 0.16 0.87 0.07 0.00 0.00 0.00 0.00 51.96 53.07 2dm4 s ALA 22 Cb 0.14 -0.47 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 2dm4 s ALA 22 CO 0.01 -0.18 0.28 -1.21 0.00 0.00 0.00 175.76 174.67 2dm4 s GLU 23 N -0.04 2.80 -0.80 0.00 2.02 -1.26 -4.41 118.70 117.02 2dm4 s GLU 23 Ca -0.02 -1.21 -0.04 0.00 0.02 0.00 0.00 54.97 53.72 2dm4 s GLU 23 Cb -0.03 -2.52 0.04 0.00 0.10 0.00 0.00 34.13 31.72 2dm4 s GLU 23 CO 0.01 0.17 0.17 0.41 0.02 0.00 0.00 175.26 176.04 2dm4 n GLY 24 N -1.34 -0.49 3.07 -1.39 0.00 -1.26 -4.78 105.19 99.00 2dm4 n GLY 24 Ca -0.03 0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2dm4 n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dm4 s VAL 25 N -2.52 1.15 -0.16 1.61 1.01 -1.26 -1.30 120.40 118.93 2dm4 s VAL 25 Ca 0.16 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.60 2dm4 s VAL 25 Cb -0.09 -1.01 0.02 0.00 0.00 0.00 0.00 36.38 35.30 2dm4 s VAL 25 CO 0.20 0.35 -0.17 -0.63 0.00 0.00 0.00 175.10 174.84 2dm4 s ILE 26 N 0.23 1.83 -0.53 2.22 1.01 0.75 -4.18 121.20 122.54 2dm4 s ILE 26 Ca -0.06 -0.80 -0.19 0.00 0.00 0.00 0.00 60.65 59.60 2dm4 s ILE 26 Cb -0.12 -1.68 0.07 0.00 0.01 0.00 0.00 42.46 40.75 2dm4 s ILE 26 CO 0.02 0.50 0.63 -0.69 0.00 0.00 0.00 174.94 175.40 2dm4 s VAL 27 N 1.35 4.88 -0.14 2.92 1.01 0.17 -0.02 120.40 130.57 2dm4 s VAL 27 Ca 0.04 -0.69 -0.21 0.00 0.00 0.00 0.00 61.98 61.13 2dm4 s VAL 27 Cb -0.13 -4.34 -0.03 0.00 0.00 0.00 0.00 36.38 31.87 2dm4 s VAL 27 CO -0.11 -0.89 0.62 -0.83 0.00 0.00 0.00 175.10 173.89 2dm4 s GLY 28 N 2.97 2.29 0.20 4.51 0.00 -0.90 -0.11 107.32 116.29 2dm4 s GLY 28 Ca 0.13 -0.13 0.10 0.00 0.00 0.00 0.00 44.72 44.82 2dm4 s GLY 28 CO 0.10 1.16 -0.14 0.30 0.00 0.00 0.00 173.10 174.52 2dm4 s HIS 29 N 1.30 2.52 0.19 1.90 3.76 -0.35 -1.31 115.29 123.29 2dm4 s HIS 29 Ca 0.31 -0.27 -0.10 0.00 -0.15 0.00 0.00 55.06 54.85 2dm4 s HIS 29 Cb -0.16 -1.21 0.04 0.00 1.11 0.00 0.00 32.58 32.36 2dm4 s HIS 29 CO 0.13 0.54 0.51 -2.67 -0.85 0.00 0.00 174.74 172.40 2dm4 n TRP 30 N -0.04 -1.52 -4.55 1.40 2.14 -0.35 -0.79 117.44 113.73 2dm4 n TRP 30 Ca -0.10 -0.96 -0.26 0.00 2.07 0.00 0.00 57.50 58.25 2dm4 n TRP 30 Cb 0.56 0.48 -0.11 0.00 -0.81 0.00 0.00 31.31 31.43 2dm4 n TRP 30 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 2dm4 s ALA 31 N -1.62 2.89 0.57 -1.67 0.00 0.41 -4.78 121.76 117.56 2dm4 s ALA 31 Ca 0.11 -2.19 -0.19 0.00 0.00 0.00 0.00 51.96 49.70 2dm4 s ALA 31 Cb -0.02 0.24 -0.05 0.00 0.00 0.00 0.00 23.12 23.29 2dm4 s ALA 31 CO 0.06 -0.12 1.12 -1.25 0.00 0.00 0.00 175.76 175.57 2dm4 s PRO 32 N -3.73 3.25 -0.05 0.00 0.04 -1.26 -2.50 135.00 130.74 2dm4 s PRO 32 Ca 0.34 1.56 -0.30 0.00 0.04 0.00 0.00 61.00 62.65 2dm4 s PRO 32 Cb 0.08 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.58 2dm4 s PRO 32 CO 0.17 -0.93 1.49 -1.25 0.04 0.00 0.00 177.00 176.52 2dm4 s PRO 33 N -3.46 4.22 0.34 0.56 0.04 -1.25 -4.36 135.00 131.10 2dm4 s PRO 33 Ca 0.71 2.02 0.28 0.00 0.04 0.00 0.00 61.00 64.05 2dm4 s PRO 33 Cb -0.23 -3.79 1.12 0.00 0.04 0.00 0.00 34.50 31.64 2dm4 s PRO 33 CO 0.30 -0.73 1.09 -0.89 0.04 0.00 0.00 177.00 176.81 2dm4 n ILE 34 N 5.16 -0.10 -3.74 0.56 5.41 -1.26 -4.49 119.36 120.90 2dm4 n ILE 34 Ca 0.15 1.16 -0.08 0.00 1.00 0.00 0.00 62.75 64.98 2dm4 n ILE 34 Cb 0.43 -1.91 -0.02 0.00 -0.71 0.00 0.00 39.64 37.44 2dm4 n ILE 34 CO 0.00 0.00 0.00 -2.28 0.00 0.00 0.00 176.55 174.27 2dm4 s HIS 35 N -4.54 -0.27 -0.23 1.39 5.04 -1.26 -5.02 115.29 110.40 2dm4 s HIS 35 Ca -0.04 -0.12 -0.12 0.00 -1.54 0.00 0.00 55.06 53.25 2dm4 s HIS 35 Cb 0.20 0.67 0.08 0.00 0.04 0.00 0.00 32.58 33.57 2dm4 s HIS 35 CO 0.59 -1.11 0.55 0.95 -2.34 0.00 0.00 174.74 173.38 2dm4 s THR 36 N -3.83 -0.22 0.19 0.89 -4.23 -1.26 -1.57 115.64 105.61 2dm4 s THR 36 Ca 0.09 0.06 -0.12 0.00 -1.18 0.00 0.00 61.69 60.53 2dm4 s THR 36 Cb -0.04 -0.81 0.11 0.00 1.34 0.00 0.00 72.50 73.09 2dm4 s THR 36 CO 0.02 0.02 1.73 0.45 -0.54 0.00 0.00 174.62 176.30 2dm4 h HIS 37 N 7.33 0.22 -1.60 3.99 3.86 -1.99 -3.44 115.15 123.52 2dm4 h HIS 37 Ca -0.29 0.03 -0.63 0.00 -1.16 0.00 0.00 60.37 58.32 2dm4 h HIS 37 Cb 1.18 -0.02 -0.13 0.00 1.06 0.00 0.00 27.41 29.50 2dm4 h HIS 37 CO 0.17 0.03 -0.60 0.20 0.86 0.00 0.00 177.93 178.59 2dm4 s GLY 38 N -3.02 2.53 0.20 2.45 0.00 -1.26 -5.09 107.32 103.13 2dm4 s GLY 38 Ca -0.13 -2.23 -0.32 0.00 0.00 0.00 0.00 44.72 42.05 2dm4 s GLY 38 CO 0.73 -2.10 1.75 -2.27 0.00 0.00 0.00 173.10 171.20 2dm4 s LEU 39 N -3.72 4.37 -0.11 0.66 2.96 -1.26 -4.80 118.68 116.78 2dm4 s LEU 39 Ca 0.34 2.86 -0.29 0.00 -0.22 0.00 0.00 54.13 56.82 2dm4 s LEU 39 Cb 0.10 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.16 2dm4 s LEU 39 CO 0.17 -0.98 1.41 -0.63 -1.32 0.00 0.00 176.35 175.00 2dm4 s ILE 40 N 1.42 3.99 -0.10 6.68 1.01 -1.26 -3.81 121.20 129.13 2dm4 s ILE 40 Ca 0.76 1.21 0.04 0.00 0.00 0.00 0.00 60.65 62.67 2dm4 s ILE 40 Cb -0.49 -3.78 -0.24 0.00 0.01 0.00 0.00 42.46 37.95 2dm4 s ILE 40 CO 0.33 -0.10 0.45 0.54 0.00 0.00 0.00 174.94 176.15 2dm4 n ARG 41 N 6.69 0.69 -3.97 2.79 1.74 -1.08 -5.04 116.66 118.48 2dm4 n ARG 41 Ca 0.15 0.25 0.01 0.00 -0.77 0.00 0.00 57.85 57.50 2dm4 n ARG 41 Cb 0.44 -1.72 0.01 0.00 -1.02 0.00 0.00 32.46 30.17 2dm4 n ARG 41 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2dm4 s GLU 42 N -2.57 0.61 -0.10 5.56 -1.05 -1.26 -5.00 118.70 114.89 2dm4 s GLU 42 Ca -0.14 -0.40 0.01 0.00 -0.15 0.00 0.00 54.97 54.30 2dm4 s GLU 42 Cb 0.07 0.17 0.02 0.00 -0.44 0.00 0.00 34.13 33.95 2dm4 s GLU 42 CO 0.79 -0.29 -0.13 0.71 0.95 0.00 0.00 175.26 177.29 2dm4 s TYR 43 N -2.04 1.72 0.16 4.83 2.02 -0.93 -1.47 117.35 121.64 2dm4 s TYR 43 Ca 0.28 -0.77 -0.14 0.00 -0.37 0.00 0.00 57.07 56.07 2dm4 s TYR 43 Cb -0.01 -1.28 -0.07 0.00 -0.40 0.00 0.00 41.96 40.20 2dm4 s TYR 43 CO 0.01 -0.42 0.55 -1.50 -1.57 0.00 0.00 175.55 172.62 2dm4 s ILE 44 N 1.02 4.86 -0.29 2.71 2.07 -0.60 0.57 121.20 131.55 2dm4 s ILE 44 Ca -0.07 0.79 0.00 0.00 -1.41 0.00 0.00 60.65 59.97 2dm4 s ILE 44 Cb -0.15 -3.72 0.09 0.00 0.13 0.00 0.00 42.46 38.81 2dm4 s ILE 44 CO -0.01 0.21 0.04 0.68 -1.91 0.00 0.00 174.94 173.95 2dm4 s VAL 45 N -1.50 1.28 -0.18 4.00 -7.23 -0.23 -1.12 120.40 115.41 2dm4 s VAL 45 Ca 0.39 -1.46 -0.16 0.00 -1.81 0.00 0.00 61.98 58.94 2dm4 s VAL 45 Cb -0.15 -1.84 -0.04 0.00 0.56 0.00 0.00 36.38 34.92 2dm4 s VAL 45 CO 0.19 -0.47 0.40 -1.61 -0.31 0.00 0.00 175.10 173.31 2dm4 s GLU 46 N 1.44 4.21 0.09 4.82 2.02 -0.04 -3.08 118.70 128.17 2dm4 s GLU 46 Ca 0.05 0.24 0.04 0.00 0.02 0.00 0.00 54.97 55.32 2dm4 s GLU 46 Cb -0.18 -3.51 -0.03 0.00 0.10 0.00 0.00 34.13 30.51 2dm4 s GLU 46 CO -0.15 0.02 -0.12 1.52 0.02 0.00 0.00 175.26 176.55 2dm4 s TYR 47 N 1.11 1.11 -0.26 1.61 1.13 -0.86 -1.52 117.35 119.66 2dm4 s TYR 47 Ca 0.20 -0.56 -0.23 0.00 -1.41 0.00 0.00 57.07 55.07 2dm4 s TYR 47 Cb -0.15 -0.61 0.07 0.00 -1.10 0.00 0.00 41.96 40.17 2dm4 s TYR 47 CO 0.08 0.03 0.69 0.45 -2.51 0.00 0.00 175.55 174.28 2dm4 s SER 48 N -2.13 -0.75 0.18 -0.18 0.15 -0.72 -1.42 113.70 108.84 2dm4 s SER 48 Ca 0.02 1.40 -0.32 0.00 0.70 0.00 0.00 55.95 57.75 2dm4 s SER 48 Cb -0.06 1.40 -0.11 0.00 -1.71 0.00 0.00 66.02 65.54 2dm4 s SER 48 CO 0.01 -0.24 1.63 -0.60 1.20 0.00 0.00 173.24 175.24 2dm4 s ARG 49 N 0.54 4.18 -0.65 5.44 3.52 -1.26 -1.54 118.95 129.18 2dm4 s ARG 49 Ca -0.01 2.45 -0.35 0.00 -0.13 0.00 0.00 55.73 57.69 2dm4 s ARG 49 Cb -0.05 -3.15 -0.18 0.00 -1.56 0.00 0.00 34.95 30.01 2dm4 s ARG 49 CO -0.02 -0.67 2.15 -1.13 -0.81 0.00 0.00 175.30 174.83 2dm4 n SER 50 N 4.06 0.49 -0.88 -2.12 3.41 -0.48 -2.89 113.62 115.22 2dm4 n SER 50 Ca 0.15 0.42 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 2dm4 n SER 50 Cb 0.37 -0.82 0.00 0.00 -0.26 0.00 0.00 64.21 63.50 2dm4 n SER 50 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dm4 n GLY 51 N 6.38 -0.00 3.64 5.00 0.00 -1.26 -5.01 105.19 113.93 2dm4 n GLY 51 Ca 0.54 -0.37 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 2dm4 n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dm4 s SER 52 N -1.13 -0.27 -0.25 1.61 0.15 -1.14 -5.03 113.70 107.65 2dm4 s SER 52 Ca 0.00 0.51 0.02 0.00 0.70 0.00 0.00 55.95 57.17 2dm4 s SER 52 Cb 0.00 0.55 0.33 0.00 -1.71 0.00 0.00 66.02 65.18 2dm4 s SER 52 CO 0.00 -0.09 1.56 0.29 1.20 0.00 0.00 173.24 176.20 2dm4 n LYS 53 N 2.00 1.68 -3.87 5.44 5.02 -1.26 -4.76 118.16 122.41 2dm4 n LYS 53 Ca -0.12 -1.57 -0.29 0.00 -2.02 0.00 0.00 58.31 54.31 2dm4 n LYS 53 Cb 0.56 -1.61 -0.16 0.00 -0.02 0.00 0.00 35.03 33.80 2dm4 n LYS 53 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2dm4 s MET 54 N -1.74 1.27 -0.16 1.97 -1.94 -1.26 -5.11 119.30 112.33 2dm4 s MET 54 Ca 0.30 -0.77 0.01 0.00 -1.71 0.00 0.00 55.69 53.52 2dm4 s MET 54 Cb 0.25 -2.40 0.01 0.00 2.01 0.00 0.00 34.83 34.69 2dm4 s MET 54 CO 0.05 -0.61 -0.18 -1.58 -0.01 0.00 0.00 175.02 172.69 2dm4 s TRP 55 N 1.57 2.75 -0.20 -0.03 0.52 -1.26 -4.52 118.94 117.77 2dm4 s TRP 55 Ca -0.04 -1.26 -0.15 0.00 0.02 0.00 0.00 56.10 54.67 2dm4 s TRP 55 Cb -0.18 -1.88 -0.04 0.00 -1.15 0.00 0.00 33.47 30.22 2dm4 s TRP 55 CO -0.07 -0.59 0.38 0.00 0.02 0.00 0.00 176.95 176.69 2dm4 s ALA 56 N 0.94 3.56 -0.12 0.98 0.00 -0.51 -4.87 121.76 121.75 2dm4 s ALA 56 Ca -0.03 -0.56 -0.01 0.00 0.00 0.00 0.00 51.96 51.35 2dm4 s ALA 56 Cb -0.15 -2.61 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 2dm4 s ALA 56 CO -0.03 -0.29 -0.06 -1.54 0.00 0.00 0.00 175.76 173.83 2dm4 s SER 57 N 1.04 4.61 0.01 0.00 1.04 -1.26 -2.04 113.70 117.10 2dm4 s SER 57 Ca 0.18 -0.12 -0.01 0.00 0.48 0.00 0.00 55.95 56.48 2dm4 s SER 57 Cb -0.15 -1.51 -0.01 0.00 0.10 0.00 0.00 66.02 64.45 2dm4 s SER 57 CO 0.08 0.25 -0.00 0.00 0.98 0.00 0.00 173.24 174.54 2dm4 s GLN 58 N -0.11 0.22 0.19 4.02 -2.07 -1.18 -4.94 119.66 115.80 2dm4 s GLN 58 Ca 0.01 -0.38 -0.27 0.00 -1.82 0.00 0.00 55.36 52.90 2dm4 s GLN 58 Cb -0.13 0.08 -0.08 0.00 -1.09 0.00 0.00 33.01 31.79 2dm4 s GLN 58 CO 0.03 -0.04 0.83 1.03 -1.32 0.00 0.00 175.29 175.82 2dm4 s ARG 59 N -0.95 4.67 -0.09 9.60 3.00 -1.26 -1.07 118.95 132.84 2dm4 s ARG 59 Ca -0.10 1.27 0.02 0.00 0.00 0.00 0.00 55.73 56.91 2dm4 s ARG 59 Cb -0.06 -3.27 0.02 0.00 0.00 0.00 0.00 34.95 31.63 2dm4 s ARG 59 CO -0.00 0.55 -0.13 0.00 0.00 0.00 0.00 175.30 175.72 2dm4 s ALA 60 N -1.15 1.42 0.01 2.13 0.00 0.19 -4.96 121.76 119.41 2dm4 s ALA 60 Ca 0.37 -0.55 -0.25 0.00 0.00 0.00 0.00 51.96 51.53 2dm4 s ALA 60 Cb -0.24 -0.72 -0.17 0.00 0.00 0.00 0.00 23.12 21.99 2dm4 s ALA 60 CO 0.28 -0.04 1.29 0.00 0.00 0.00 0.00 175.76 177.29 2dm4 h ALA 61 N 7.33 -0.37 -4.10 0.00 0.00 -1.85 -2.47 119.26 117.81 2dm4 h ALA 61 Ca -0.31 -0.18 -0.30 0.00 0.00 0.00 0.00 54.91 54.13 2dm4 h ALA 61 Cb 1.17 0.14 0.09 0.00 0.00 0.00 0.00 17.79 19.20 2dm4 h ALA 61 CO 0.47 -0.55 0.20 0.43 0.00 0.00 0.00 179.25 179.80 2dm4 n SER 62 N -5.12 0.39 -1.49 0.00 7.64 -1.26 -4.78 113.62 109.00 2dm4 n SER 62 Ca -0.09 -1.49 -0.08 0.00 1.01 0.00 0.00 58.87 58.22 2dm4 n SER 62 Cb 0.25 -0.59 0.04 0.00 -1.01 0.00 0.00 64.21 62.90 2dm4 n SER 62 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2dm4 n ASN 63 N -3.33 4.37 -3.55 6.43 4.13 -1.26 -4.82 115.26 117.23 2dm4 n ASN 63 Ca 0.11 -2.58 -0.09 0.00 1.68 0.00 0.00 54.58 53.70 2dm4 n ASN 63 Cb 0.39 -0.80 -0.02 0.00 -1.54 0.00 0.00 39.78 37.81 2dm4 n ASN 63 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 2dm4 s PHE 64 N -0.94 -0.38 0.32 3.10 -0.71 -1.26 -1.21 117.98 116.90 2dm4 s PHE 64 Ca 0.16 0.14 -0.04 0.00 -1.04 0.00 0.00 56.93 56.15 2dm4 s PHE 64 Cb 0.13 0.59 0.00 0.00 -1.21 0.00 0.00 43.02 42.53 2dm4 s PHE 64 CO 0.02 -0.82 0.47 -0.08 -1.34 0.00 0.00 175.22 173.47 2dm4 s THR 65 N -3.55 0.00 -0.31 -4.49 -1.32 -0.43 -4.72 115.64 100.82 2dm4 s THR 65 Ca 0.05 -1.56 -0.01 0.00 -1.21 0.00 0.00 61.69 58.96 2dm4 s THR 65 Cb -0.02 -2.58 0.10 0.00 -1.51 0.00 0.00 72.50 68.49 2dm4 s THR 65 CO -0.07 0.00 0.11 -1.61 -2.21 0.00 0.00 174.62 170.84 2dm4 s GLU 66 N -3.21 0.70 -0.65 7.08 2.02 -1.26 -2.11 118.70 121.26 2dm4 s GLU 66 Ca 0.29 -1.08 -0.26 0.00 0.02 0.00 0.00 54.97 53.94 2dm4 s GLU 66 Cb -0.00 -1.95 0.04 0.00 0.10 0.00 0.00 34.13 32.32 2dm4 s GLU 66 CO 0.18 -1.00 1.14 0.42 0.02 0.00 0.00 175.26 176.02 2dm4 s ILE 67 N 1.60 4.02 0.40 -1.63 1.01 0.97 -4.87 121.20 122.70 2dm4 s ILE 67 Ca 0.10 0.36 0.04 0.00 0.00 0.00 0.00 60.65 61.15 2dm4 s ILE 67 Cb -0.17 -4.77 0.07 0.00 0.01 0.00 0.00 42.46 37.60 2dm4 s ILE 67 CO -0.25 -1.54 0.55 0.29 0.00 0.00 0.00 174.94 174.00 2dm4 n LYS 68 N 8.52 0.52 -3.32 2.79 5.02 -1.26 -0.18 118.16 130.25 2dm4 n LYS 68 Ca 0.03 -1.86 -0.16 0.00 -2.02 0.00 0.00 58.31 54.30 2dm4 n LYS 68 Cb 0.48 -0.26 0.08 0.00 -0.02 0.00 0.00 35.03 35.32 2dm4 n LYS 68 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2dm4 n ASN 69 N -2.72 -3.53 -4.68 4.39 3.02 -1.14 -4.93 115.26 105.68 2dm4 n ASN 69 Ca 0.10 -0.63 -0.32 0.00 -0.03 0.00 0.00 54.58 53.71 2dm4 n ASN 69 Cb 0.37 -5.00 -0.08 0.00 -0.61 0.00 0.00 39.78 34.46 2dm4 n ASN 69 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2dm4 s LEU 70 N -5.91 2.30 -0.23 3.41 1.43 -0.42 -5.06 118.68 114.20 2dm4 s LEU 70 Ca 0.15 -1.63 -0.07 0.00 -1.03 0.00 0.00 54.13 51.55 2dm4 s LEU 70 Cb -0.02 -0.67 -0.03 0.00 0.03 0.00 0.00 46.19 45.50 2dm4 s LEU 70 CO 0.71 -0.83 0.06 -0.76 0.23 0.00 0.00 176.35 175.76 2dm4 s LEU 71 N -3.83 3.46 0.57 1.79 1.43 -1.26 -4.57 118.68 116.26 2dm4 s LEU 71 Ca 0.10 -0.17 -0.20 0.00 -1.03 0.00 0.00 54.13 52.83 2dm4 s LEU 71 Cb 0.02 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.28 2dm4 s LEU 71 CO 0.06 0.01 1.11 1.33 0.23 0.00 0.00 176.35 179.08 2dm4 n VAL 72 N 4.65 3.69 -3.64 -1.59 0.24 -1.26 -2.92 118.33 117.49 2dm4 n VAL 72 Ca -0.16 -0.50 -0.21 0.00 -2.04 0.00 0.00 64.34 61.43 2dm4 n VAL 72 Cb 0.52 -1.32 0.05 0.00 -1.47 0.00 0.00 33.84 31.61 2dm4 n VAL 72 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2dm4 n ASN 73 N -0.76 -1.59 -3.79 -1.34 3.02 -1.13 -4.85 115.26 104.83 2dm4 n ASN 73 Ca 0.12 -0.77 -0.13 0.00 -0.03 0.00 0.00 54.58 53.78 2dm4 n ASN 73 Cb 0.45 -4.32 -0.14 0.00 -0.61 0.00 0.00 39.78 35.17 2dm4 n ASN 73 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2dm4 s THR 74 N -3.58 -0.03 0.12 3.41 2.01 -1.15 -4.86 115.64 111.57 2dm4 s THR 74 Ca 0.04 0.10 -0.31 0.00 0.31 0.00 0.00 61.69 61.83 2dm4 s THR 74 Cb -0.02 -0.18 -0.08 0.00 0.01 0.00 0.00 72.50 72.24 2dm4 s THR 74 CO 0.79 0.04 1.31 -0.22 -0.69 0.00 0.00 174.62 175.86 2dm4 s LEU 75 N 0.64 4.38 -0.03 4.42 1.98 -1.26 -2.21 118.68 126.60 2dm4 s LEU 75 Ca -0.05 2.26 0.02 0.00 -2.89 0.00 0.00 54.13 53.47 2dm4 s LEU 75 Cb -0.07 -3.59 0.01 0.00 0.66 0.00 0.00 46.19 43.21 2dm4 s LEU 75 CO -0.03 -0.57 -0.06 -0.31 -1.89 0.00 0.00 176.35 173.49 2dm4 s TYR 76 N 0.83 0.81 -0.08 5.38 1.51 -0.20 -1.38 117.35 124.21 2dm4 s TYR 76 Ca 0.61 -0.22 -0.16 0.00 -1.01 0.00 0.00 57.07 56.29 2dm4 s TYR 76 Cb -0.35 -0.64 -0.05 0.00 -0.11 0.00 0.00 41.96 40.81 2dm4 s TYR 76 CO 0.32 -0.14 0.41 0.99 -1.11 0.00 0.00 175.55 176.02 2dm4 s THR 77 N 0.56 5.15 0.13 -0.71 2.01 -0.59 -1.82 115.64 120.38 2dm4 s THR 77 Ca -0.08 0.82 0.08 0.00 0.31 0.00 0.00 61.69 62.83 2dm4 s THR 77 Cb -0.11 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 2dm4 s THR 77 CO 0.00 0.43 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.48 2dm4 s VAL 78 N -0.05 1.74 -0.25 3.82 1.01 -0.08 -1.75 120.40 124.84 2dm4 s VAL 78 Ca 0.23 -1.70 -0.19 0.00 0.00 0.00 0.00 61.98 60.32 2dm4 s VAL 78 Cb -0.15 -1.67 0.07 0.00 0.00 0.00 0.00 36.38 34.63 2dm4 s VAL 78 CO 0.10 -0.18 0.64 0.00 0.00 0.00 0.00 175.10 175.66 2dm4 s ARG 79 N -2.29 0.70 0.02 2.72 1.70 -0.58 -1.46 118.95 119.77 2dm4 s ARG 79 Ca 0.10 0.99 0.06 0.00 -0.47 0.00 0.00 55.73 56.41 2dm4 s ARG 79 Cb -0.08 0.26 -0.03 0.00 -0.57 0.00 0.00 34.95 34.53 2dm4 s ARG 79 CO 0.05 -0.11 -0.15 0.08 -1.08 0.00 0.00 175.30 174.09 2dm4 s VAL 80 N 0.83 3.04 0.01 4.99 1.01 -1.26 -0.86 120.40 128.16 2dm4 s VAL 80 Ca -0.04 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 60.91 2dm4 s VAL 80 Cb -0.05 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 2dm4 s VAL 80 CO -0.07 0.37 -0.04 0.00 0.00 0.00 0.00 175.10 175.37 2dm4 s ALA 81 N -0.93 0.27 -0.15 5.51 0.00 -0.28 -0.98 121.76 125.20 2dm4 s ALA 81 Ca 0.15 -0.32 -0.25 0.00 0.00 0.00 0.00 51.96 51.54 2dm4 s ALA 81 Cb -0.11 -0.00 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 2dm4 s ALA 81 CO 0.06 0.00 0.82 0.00 0.00 0.00 0.00 175.76 176.64 2dm4 s ALA 82 N -0.55 3.49 -0.02 0.00 0.00 -1.26 -1.55 121.76 121.87 2dm4 s ALA 82 Ca -0.04 0.06 -0.12 0.00 0.00 0.00 0.00 51.96 51.85 2dm4 s ALA 82 Cb -0.04 -3.21 -0.05 0.00 0.00 0.00 0.00 23.12 19.82 2dm4 s ALA 82 CO -0.00 -0.58 0.35 0.08 0.00 0.00 0.00 175.76 175.60 2dm4 s VAL 83 N 1.98 5.15 0.34 0.00 1.01 -0.54 -1.84 120.40 126.49 2dm4 s VAL 83 Ca 0.39 0.64 0.03 0.00 0.00 0.00 0.00 61.98 63.04 2dm4 s VAL 83 Cb -0.17 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 2dm4 s VAL 83 CO 0.13 0.55 0.08 0.42 0.00 0.00 0.00 175.10 176.28 2dm4 s THR 84 N -1.11 0.95 0.23 3.92 -4.23 0.05 -2.64 115.64 112.82 2dm4 s THR 84 Ca 0.23 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.65 2dm4 s THR 84 Cb -0.15 -2.66 0.36 0.00 1.34 0.00 0.00 72.50 71.38 2dm4 s THR 84 CO 0.12 0.00 1.34 -1.54 -0.54 0.00 0.00 174.62 174.00 2dm4 n SER 85 N -0.80 -0.36 0.00 3.99 3.41 -1.25 0.50 113.62 119.12 2dm4 n SER 85 Ca -0.03 1.49 -0.12 0.00 -0.26 0.00 0.00 58.87 59.95 2dm4 n SER 85 Cb 0.66 -0.43 -0.07 0.00 -0.26 0.00 0.00 64.21 64.11 2dm4 n SER 85 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2dm4 h ARG 86 N 0.00 0.06 0.00 4.33 3.08 -1.96 -3.49 114.38 116.40 2dm4 h ARG 86 Ca 0.39 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.43 2dm4 h ARG 86 Cb 0.61 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.65 2dm4 h ARG 86 CO -0.88 0.25 0.00 0.41 -1.07 0.00 0.00 179.97 178.67 2dm4 n GLY 87 N -0.55 -0.38 3.77 0.04 0.00 0.18 -5.12 105.19 103.13 2dm4 n GLY 87 Ca -0.07 -1.20 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 2dm4 n GLY 87 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dm4 s ILE 88 N -3.00 2.20 0.00 -0.61 1.01 -1.26 -0.77 121.20 118.78 2dm4 s ILE 88 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.85 2dm4 s ILE 88 Cb 0.00 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.35 2dm4 s ILE 88 CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.59 2dm4 n GLY 89 N 0.55 3.43 3.75 6.18 0.00 -0.77 -4.90 105.19 113.44 2dm4 n GLY 89 Ca 0.02 -1.75 -0.38 0.00 0.00 0.00 0.00 46.02 43.91 2dm4 n GLY 89 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dm4 s ASN 90 N -0.06 5.32 -0.11 1.61 0.01 -1.19 -4.83 114.94 115.68 2dm4 s ASN 90 Ca 0.00 2.77 -0.14 0.00 -0.71 0.00 0.00 52.86 54.78 2dm4 s ASN 90 Cb 0.00 -2.64 -0.05 0.00 0.41 0.00 0.00 41.25 38.98 2dm4 s ASN 90 CO 0.00 -1.54 0.32 0.26 -1.51 0.00 0.00 177.10 174.63 2dm4 s TRP 91 N -1.30 3.55 0.68 2.20 0.52 -1.26 -4.09 118.94 119.24 2dm4 s TRP 91 Ca 0.71 0.72 -0.14 0.00 0.02 0.00 0.00 56.10 57.41 2dm4 s TRP 91 Cb -0.40 -2.30 0.01 0.00 -1.15 0.00 0.00 33.47 29.62 2dm4 s TRP 91 CO 0.48 0.40 1.10 -1.54 0.02 0.00 0.00 176.95 177.41 2dm4 s SER 92 N -0.11 5.09 -0.34 2.95 1.04 -0.15 -4.87 113.70 117.32 2dm4 s SER 92 Ca 0.19 1.92 -0.36 0.00 0.48 0.00 0.00 55.95 58.18 2dm4 s SER 92 Cb -0.14 -2.54 -0.12 0.00 0.10 0.00 0.00 66.02 63.32 2dm4 s SER 92 CO 0.07 -1.64 2.13 0.47 0.98 0.00 0.00 173.24 175.24 2dm4 n ASP 93 N -2.63 2.11 -4.71 7.02 9.92 -1.26 -4.55 116.55 122.45 2dm4 n ASP 93 Ca 0.10 0.52 -0.42 0.00 -0.53 0.00 0.00 54.79 54.46 2dm4 n ASP 93 Cb 0.52 -1.23 -0.03 0.00 -0.64 0.00 0.00 41.12 39.75 2dm4 n ASP 93 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2dm4 s SER 94 N 6.69 6.75 0.36 -2.24 0.01 -1.26 -4.88 113.70 119.13 2dm4 s SER 94 Ca 1.08 2.40 0.08 0.00 1.31 0.00 0.00 55.95 60.82 2dm4 s SER 94 Cb -0.92 -2.58 -0.05 0.00 0.21 0.00 0.00 66.02 62.68 2dm4 s SER 94 CO 0.52 -0.72 0.13 -0.54 0.41 0.00 0.00 173.24 173.04 2dm4 s LYS 95 N 1.33 2.28 -0.01 12.44 -0.14 -0.53 -4.93 119.74 130.19 2dm4 s LYS 95 Ca 0.67 -1.66 0.06 0.00 -1.36 0.00 0.00 55.97 53.68 2dm4 s LYS 95 Cb -0.38 -2.08 -0.02 0.00 -1.68 0.00 0.00 37.83 33.66 2dm4 s LYS 95 CO 0.30 0.06 -0.20 -1.54 -0.76 0.00 0.00 175.35 173.21 2dm4 s SER 96 N -3.84 2.33 -0.02 2.83 1.04 -1.26 -0.91 113.70 113.87 2dm4 s SER 96 Ca 0.38 -0.38 -0.03 0.00 0.48 0.00 0.00 55.95 56.40 2dm4 s SER 96 Cb -0.01 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.87 2dm4 s SER 96 CO 0.22 0.23 0.07 -0.51 0.98 0.00 0.00 173.24 174.23 2dm4 s ILE 97 N -0.52 0.02 -0.23 -1.02 2.07 -0.75 -4.96 121.20 115.80 2dm4 s ILE 97 Ca 0.07 -0.15 -0.14 0.00 -1.41 0.00 0.00 60.65 59.03 2dm4 s ILE 97 Cb -0.08 -0.16 -0.04 0.00 0.13 0.00 0.00 42.46 42.31 2dm4 s ILE 97 CO -0.00 -0.08 0.31 -0.89 -1.91 0.00 0.00 174.94 172.36 2dm4 s THR 98 N -0.22 5.25 1.17 4.00 2.01 -1.26 -1.03 115.64 125.55 2dm4 s THR 98 Ca -0.03 0.48 -0.19 0.00 0.31 0.00 0.00 61.69 62.26 2dm4 s THR 98 Cb -0.02 -3.64 0.28 0.00 0.01 0.00 0.00 72.50 69.13 2dm4 s THR 98 CO 0.00 0.26 1.15 0.42 -0.69 0.00 0.00 174.62 175.76 2dm4 s THR 99 N 1.42 1.66 0.11 -0.82 -4.23 -0.94 -4.86 115.64 107.98 2dm4 s THR 99 Ca 0.14 0.00 -0.02 0.00 -1.18 0.00 0.00 61.69 60.63 2dm4 s THR 99 Cb -0.15 -2.57 -0.04 0.00 1.34 0.00 0.00 72.50 71.08 2dm4 s THR 99 CO 0.07 0.00 0.05 0.27 -0.54 0.00 0.00 174.62 174.48 2dm4 s ILE 100 N -3.16 0.13 -0.35 2.99 -4.36 -1.26 -2.83 121.20 112.37 2dm4 s ILE 100 Ca 0.72 -1.83 -0.05 0.00 -0.26 0.00 0.00 60.65 59.22 2dm4 s ILE 100 Cb -0.08 -1.89 -0.10 0.00 1.25 0.00 0.00 42.46 41.64 2dm4 s ILE 100 CO 0.55 -0.59 3.17 1.17 0.24 0.00 0.00 174.94 179.49 2dm4 n LYS 101 N -0.05 2.40 0.00 0.37 3.00 -1.26 -4.17 118.16 118.45 2dm4 n LYS 101 Ca -0.08 -1.75 0.00 0.00 -0.00 0.00 0.00 58.31 56.48 2dm4 n LYS 101 Cb 0.63 -2.14 0.00 0.00 0.00 0.00 0.00 35.03 33.52 2dm4 n LYS 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2dm4 n GLY 102 N 1.85 1.60 3.79 3.14 0.00 -1.26 -4.80 105.19 109.51 2dm4 n GLY 102 Ca 0.48 0.18 -0.01 0.00 0.00 0.00 0.00 46.02 46.67 2dm4 n GLY 102 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm4 s SER 103 N -4.00 -0.06 0.00 1.61 0.01 -1.26 -5.00 113.70 104.99 2dm4 s SER 103 Ca 0.00 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 56.86 2dm4 s SER 103 Cb 0.00 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.60 2dm4 s SER 103 CO 0.00 -0.71 0.00 0.61 0.41 0.00 0.00 173.24 173.55 2dm4 n GLY 104 N -0.60 4.51 3.56 3.44 0.00 -1.26 -4.92 105.19 109.91 2dm4 n GLY 104 Ca -0.04 -1.22 -0.28 0.00 0.00 0.00 0.00 46.02 44.47 2dm4 n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dm4 s PRO 105 N -4.51 2.57 -1.71 1.61 0.04 -1.26 -3.93 135.00 127.81 2dm4 s PRO 105 Ca 0.00 -0.18 -0.14 0.00 0.04 0.00 0.00 61.00 60.71 2dm4 s PRO 105 Cb 0.00 -4.98 0.14 0.00 0.04 0.00 0.00 34.50 29.70 2dm4 s PRO 105 CO 0.00 -3.29 0.48 0.45 0.04 0.00 0.00 177.00 174.68 2dm4 n SER 106 N 13.80 -1.36 -4.76 6.66 2.88 -1.26 -4.87 113.62 124.71 2dm4 n SER 106 Ca 0.38 -1.17 -0.40 0.00 -1.33 0.00 0.00 58.87 56.35 2dm4 n SER 106 Cb 0.48 -2.03 -0.05 0.00 -0.75 0.00 0.00 64.21 61.85 2dm4 n SER 106 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dm4 s SER 107 N -3.65 7.36 0.00 -3.46 0.15 -1.25 -5.29 113.70 107.56 2dm4 s SER 107 Ca 0.53 2.10 0.00 0.00 0.70 0.00 0.00 55.95 59.27 2dm4 s SER 107 Cb -0.30 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.40 2dm4 s SER 107 CO 0.98 -0.06 0.07 0.61 1.20 0.00 0.00 173.24 176.05