#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm4 s SER 2 N 0.00 6.64 0.36 1.61 0.15 -1.26 -4.91 113.70 116.29 2dm4 s SER 2 Ca 0.00 0.58 0.22 0.00 0.70 0.00 0.00 55.95 57.45 2dm4 s SER 2 Cb 0.00 -2.41 0.22 0.00 -1.71 0.00 0.00 66.02 62.12 2dm4 s SER 2 CO 0.00 -0.68 1.43 0.77 1.20 0.00 0.00 173.24 175.96 2dm4 h SER 3 N 8.26 0.00 -1.75 5.45 4.64 -2.12 -3.39 113.55 124.64 2dm4 h SER 3 Ca -0.24 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.58 2dm4 h SER 3 Cb 1.09 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.84 2dm4 h SER 3 CO 0.91 0.06 -0.96 0.61 -0.87 0.00 0.00 176.83 176.58 2dm4 n GLY 4 N 1.14 2.09 3.69 -0.77 0.00 -1.26 -5.11 105.19 104.97 2dm4 n GLY 4 Ca 0.02 -1.15 -0.40 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.84 6.90 0.47 1.61 1.04 -1.26 -5.06 113.70 116.55 2dm4 s SER 5 Ca 0.34 1.09 0.07 0.00 0.48 0.00 0.00 55.95 57.92 2dm4 s SER 5 Cb 0.14 -2.41 -0.01 0.00 0.10 0.00 0.00 66.02 63.84 2dm4 s SER 5 CO -0.15 -0.25 0.34 -0.55 0.98 0.00 0.00 173.24 173.61 2dm4 s SER 6 N 1.02 4.71 0.00 7.02 0.15 -1.26 -4.90 113.70 120.44 2dm4 s SER 6 Ca 0.35 -1.04 0.00 0.00 0.70 0.00 0.00 55.95 55.96 2dm4 s SER 6 Cb -0.17 -0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.00 2dm4 s SER 6 CO 0.14 -0.81 0.00 0.61 1.20 0.00 0.00 173.24 174.38 2dm4 n GLY 7 N -1.55 2.69 0.22 9.45 0.00 -1.26 -4.99 105.19 109.75 2dm4 n GLY 7 Ca 0.00 -0.81 0.09 0.00 0.00 0.00 0.00 46.02 45.31 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 0.00 -0.92 1.61 0.13 -1.98 -3.23 132.00 127.61 2dm4 h PRO 8 Ca 0.00 0.00 0.37 0.00 -0.87 0.00 0.00 66.00 65.50 2dm4 h PRO 8 Cb 0.00 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 30.99 2dm4 h PRO 8 CO 0.00 0.23 0.53 -3.47 -0.23 0.00 0.00 178.00 175.06 2dm4 n ASP 9 N -3.50 0.27 -4.88 1.44 2.03 -1.15 -3.70 116.55 107.05 2dm4 n ASP 9 Ca -0.00 1.35 -0.30 0.00 0.52 0.00 0.00 54.79 56.35 2dm4 n ASP 9 Cb 0.40 -0.66 -0.01 0.00 -0.72 0.00 0.00 41.12 40.13 2dm4 n ASP 9 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dm4 s ALA 10 N -5.21 3.25 1.08 -1.67 0.00 -1.22 -4.38 121.76 113.60 2dm4 s ALA 10 Ca -0.07 -0.22 -0.06 0.00 0.00 0.00 0.00 51.96 51.60 2dm4 s ALA 10 Cb 0.28 -2.84 0.09 0.00 0.00 0.00 0.00 23.12 20.65 2dm4 s ALA 10 CO 0.67 -0.38 0.33 -0.35 0.00 0.00 0.00 175.76 176.03 2dm4 n PRO 11 N -2.13 -1.67 -3.93 0.00 -0.04 -1.26 -4.27 135.00 121.70 2dm4 n PRO 11 Ca 0.03 -0.53 -0.08 0.00 -0.04 0.00 0.00 63.50 62.88 2dm4 n PRO 11 Cb 0.54 -0.50 -0.04 0.00 -0.04 0.00 0.00 33.50 33.47 2dm4 n PRO 11 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2dm4 s ARG 12 N -3.75 1.67 -0.83 0.54 0.52 -0.95 -4.79 118.95 111.36 2dm4 s ARG 12 Ca 0.21 -1.13 -0.01 0.00 -0.52 0.00 0.00 55.73 54.29 2dm4 s ARG 12 Cb -0.02 0.54 -0.01 0.00 0.52 0.00 0.00 34.95 35.98 2dm4 s ARG 12 CO 0.16 -0.73 0.70 -1.71 0.02 0.00 0.00 175.30 173.74 2dm4 n ASN 13 N -0.44 -2.71 -4.61 0.23 5.15 -1.26 0.15 115.26 111.77 2dm4 n ASN 13 Ca -0.03 -0.46 -0.43 0.00 -0.60 0.00 0.00 54.58 53.07 2dm4 n ASN 13 Cb 0.60 -3.82 -0.02 0.00 -0.53 0.00 0.00 39.78 36.01 2dm4 n ASN 13 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2dm4 s LEU 14 N -5.03 3.69 -0.22 1.20 2.96 -1.26 -4.01 118.68 116.02 2dm4 s LEU 14 Ca 0.07 0.93 -0.00 0.00 -0.22 0.00 0.00 54.13 54.90 2dm4 s LEU 14 Cb -0.01 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.20 2dm4 s LEU 14 CO 0.52 -1.29 -0.03 -1.10 -1.32 0.00 0.00 176.35 173.13 2dm4 s GLN 15 N 4.62 1.37 0.01 1.98 -0.21 -0.56 -4.97 119.66 121.89 2dm4 s GLN 15 Ca 0.58 -0.80 -0.19 0.00 0.02 0.00 0.00 55.36 54.97 2dm4 s GLN 15 Cb -0.14 -2.41 -0.06 0.00 1.00 0.00 0.00 33.01 31.40 2dm4 s GLN 15 CO 0.29 -0.59 0.56 -0.51 -2.12 0.00 0.00 175.29 172.92 2dm4 s LEU 16 N 1.53 4.44 0.27 2.90 2.01 -1.26 -1.99 118.68 126.58 2dm4 s LEU 16 Ca -0.04 1.14 0.03 0.00 0.01 0.00 0.00 54.13 55.27 2dm4 s LEU 16 Cb -0.18 -2.86 -0.06 0.00 0.01 0.00 0.00 46.19 43.10 2dm4 s LEU 16 CO -0.07 0.16 0.04 -0.44 1.01 0.00 0.00 176.35 177.05 2dm4 s SER 17 N -0.43 1.84 -0.14 2.29 0.01 -0.30 -4.97 113.70 112.01 2dm4 s SER 17 Ca 0.29 -1.31 0.01 0.00 1.31 0.00 0.00 55.95 56.26 2dm4 s SER 17 Cb -0.18 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.07 2dm4 s SER 17 CO 0.17 -0.60 -0.18 -0.76 0.41 0.00 0.00 173.24 172.28 2dm4 s LEU 18 N -3.36 2.32 0.03 2.44 2.01 -1.26 -0.69 118.68 120.16 2dm4 s LEU 18 Ca 0.33 -0.52 -0.30 0.00 0.01 0.00 0.00 54.13 53.65 2dm4 s LEU 18 Cb 0.07 -1.51 -0.06 0.00 0.01 0.00 0.00 46.19 44.70 2dm4 s LEU 18 CO 0.12 0.10 1.43 -2.16 1.01 0.00 0.00 176.35 176.85 2dm4 s PRO 19 N 0.73 4.28 0.00 1.29 0.04 -1.26 -4.89 135.00 135.19 2dm4 s PRO 19 Ca -0.08 2.03 0.27 0.00 0.04 0.00 0.00 61.00 63.26 2dm4 s PRO 19 Cb -0.16 -3.53 1.60 0.00 0.04 0.00 0.00 34.50 32.45 2dm4 s PRO 19 CO 0.01 -0.57 1.96 2.89 0.04 0.00 0.00 177.00 181.33 2dm4 n ARG 20 N 5.19 0.87 0.00 4.56 1.85 -1.26 -2.59 116.66 125.29 2dm4 n ARG 20 Ca 0.13 0.00 0.01 0.00 -1.00 0.00 0.00 57.85 57.00 2dm4 n ARG 20 Cb 0.43 -1.48 0.01 0.00 -1.05 0.00 0.00 32.46 30.37 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 -0.98 -0.21 -3.84 2.89 1.02 -1.26 -4.86 120.64 113.40 2dm4 n GLU 21 Ca 0.20 -0.63 -0.13 0.00 -0.02 0.00 0.00 57.16 56.59 2dm4 n GLU 21 Cb 0.09 -1.03 -0.14 0.00 -0.02 0.00 0.00 31.44 30.34 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 -0.29 -0.07 0.17 0.62 0.00 -1.07 -5.16 121.76 115.96 2dm4 s ALA 22 Ca 0.03 0.15 0.02 0.00 0.00 0.00 0.00 51.96 52.17 2dm4 s ALA 22 Cb 0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 2dm4 s ALA 22 CO 0.04 -0.04 0.32 -1.21 0.00 0.00 0.00 175.76 174.87 2dm4 s GLU 23 N 0.22 3.46 -1.47 0.00 2.02 -1.26 -4.34 118.70 117.32 2dm4 s GLU 23 Ca -0.02 -0.57 0.00 0.00 0.02 0.00 0.00 54.97 54.41 2dm4 s GLU 23 Cb -0.02 -2.93 0.00 0.00 0.10 0.00 0.00 34.13 31.28 2dm4 s GLU 23 CO -0.01 0.48 0.00 0.41 0.02 0.00 0.00 175.26 176.16 2dm4 n GLY 24 N -0.70 0.13 3.37 -1.39 0.00 -1.26 -4.72 105.19 100.62 2dm4 n GLY 24 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.66 2.34 -0.22 1.61 1.01 -1.26 -0.91 120.40 120.31 2dm4 s VAL 25 Ca 0.00 -1.21 -0.01 0.00 0.00 0.00 0.00 61.98 60.76 2dm4 s VAL 25 Cb 0.00 -1.90 0.06 0.00 0.00 0.00 0.00 36.38 34.54 2dm4 s VAL 25 CO 0.00 0.44 0.01 -0.63 0.00 0.00 0.00 175.10 174.92 2dm4 s ILE 26 N -0.77 0.91 -0.57 2.22 1.01 0.12 -4.20 121.20 119.91 2dm4 s ILE 26 Ca 0.12 -0.88 -0.27 0.00 0.00 0.00 0.00 60.65 59.62 2dm4 s ILE 26 Cb -0.10 -1.36 0.03 0.00 0.01 0.00 0.00 42.46 41.04 2dm4 s ILE 26 CO 0.02 -0.22 1.12 -0.69 0.00 0.00 0.00 174.94 175.17 2dm4 s VAL 27 N 1.67 4.12 -0.22 2.92 1.01 0.13 -1.05 120.40 128.98 2dm4 s VAL 27 Ca -0.02 0.74 -0.20 0.00 0.00 0.00 0.00 61.98 62.50 2dm4 s VAL 27 Cb -0.18 -4.67 -0.03 0.00 0.00 0.00 0.00 36.38 31.51 2dm4 s VAL 27 CO -0.09 -1.27 0.59 -0.83 0.00 0.00 0.00 175.10 173.50 2dm4 s GLY 28 N 2.91 1.96 0.20 4.51 0.00 -0.85 -1.14 107.32 114.91 2dm4 s GLY 28 Ca 0.39 -0.39 0.09 0.00 0.00 0.00 0.00 44.72 44.81 2dm4 s GLY 28 CO 0.24 1.29 -0.05 0.30 0.00 0.00 0.00 173.10 174.88 2dm4 s HIS 29 N 2.07 2.71 0.32 1.90 3.76 -0.84 -1.19 115.29 124.01 2dm4 s HIS 29 Ca 0.26 -0.20 -0.16 0.00 -0.15 0.00 0.00 55.06 54.82 2dm4 s HIS 29 Cb -0.16 -1.29 0.06 0.00 1.11 0.00 0.00 32.58 32.31 2dm4 s HIS 29 CO 0.09 0.54 0.80 -2.67 -0.85 0.00 0.00 174.74 172.66 2dm4 n TRP 30 N -0.25 -2.02 -4.46 1.40 2.14 -0.67 -1.50 117.44 112.08 2dm4 n TRP 30 Ca -0.09 -1.59 -0.23 0.00 2.07 0.00 0.00 57.50 57.65 2dm4 n TRP 30 Cb 0.56 0.79 -0.10 0.00 -0.81 0.00 0.00 31.31 31.75 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 -2.00 2.66 0.54 -1.67 0.00 0.41 -4.78 121.76 116.92 2dm4 s ALA 31 Ca 0.17 -1.88 -0.19 0.00 0.00 0.00 0.00 51.96 50.05 2dm4 s ALA 31 Cb -0.04 -0.18 -0.06 0.00 0.00 0.00 0.00 23.12 22.84 2dm4 s ALA 31 CO 0.09 0.20 1.13 -1.25 0.00 0.00 0.00 175.76 175.93 2dm4 s PRO 32 N -3.56 3.35 0.26 0.00 0.04 -1.26 -2.24 135.00 131.59 2dm4 s PRO 32 Ca 0.29 1.61 -0.30 0.00 0.04 0.00 0.00 61.00 62.65 2dm4 s PRO 32 Cb -0.03 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 2dm4 s PRO 32 CO 0.14 -0.85 1.26 -1.25 0.04 0.00 0.00 177.00 176.34 2dm4 s PRO 33 N -3.29 4.43 0.17 0.56 0.04 -1.26 -4.57 135.00 131.08 2dm4 s PRO 33 Ca 0.73 2.05 -0.17 0.00 0.04 0.00 0.00 61.00 63.65 2dm4 s PRO 33 Cb -0.24 -3.16 0.11 0.00 0.04 0.00 0.00 34.50 31.26 2dm4 s PRO 33 CO 0.27 -0.14 1.66 0.82 0.04 0.00 0.00 177.00 179.65 2dm4 h ILE 34 N 3.40 0.54 -2.70 0.56 2.04 -1.81 -3.43 117.51 116.11 2dm4 h ILE 34 Ca -0.46 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.28 2dm4 h ILE 34 Cb 1.22 0.54 -0.24 0.00 -0.74 0.00 0.00 36.82 37.60 2dm4 h ILE 34 CO 0.71 0.00 -0.22 -2.28 0.00 0.00 0.00 178.15 176.36 2dm4 s HIS 35 N -6.21 -0.48 0.18 1.37 2.46 -1.26 -5.08 115.29 106.28 2dm4 s HIS 35 Ca -0.14 1.15 0.08 0.00 0.47 0.00 0.00 55.06 56.63 2dm4 s HIS 35 Cb 0.15 0.17 -0.04 0.00 -0.13 0.00 0.00 32.58 32.72 2dm4 s HIS 35 CO 0.71 -0.23 -0.17 0.95 -2.47 0.00 0.00 174.74 173.53 2dm4 s THR 36 N 0.29 1.82 0.23 0.89 -4.23 -1.26 -2.92 115.64 110.45 2dm4 s THR 36 Ca -0.00 -2.02 0.23 0.00 -1.18 0.00 0.00 61.69 58.71 2dm4 s THR 36 Cb -0.03 -1.91 0.21 0.00 1.34 0.00 0.00 72.50 72.11 2dm4 s THR 36 CO -0.00 -0.40 1.86 -0.74 -0.54 0.00 0.00 174.62 174.80 2dm4 h HIS 37 N 3.01 0.00 -3.60 3.99 2.76 -2.01 -3.46 115.15 115.85 2dm4 h HIS 37 Ca -0.41 0.00 -0.23 0.00 -2.20 0.00 0.00 60.37 57.53 2dm4 h HIS 37 Cb 1.21 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 30.12 2dm4 h HIS 37 CO 0.70 0.25 -0.14 0.41 -1.30 0.00 0.00 177.93 177.85 2dm4 n GLY 38 N -0.08 2.44 3.70 5.26 0.00 -1.26 -5.12 105.19 110.13 2dm4 n GLY 38 Ca -0.01 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 2dm4 n GLY 38 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2dm4 s LEU 39 N 0.00 4.33 -0.20 0.99 0.20 -1.26 -4.91 118.68 117.84 2dm4 s LEU 39 Ca 0.23 2.14 -0.29 0.00 0.69 0.00 0.00 54.13 56.89 2dm4 s LEU 39 Cb -0.00 -3.57 -0.02 0.00 -0.43 0.00 0.00 46.19 42.17 2dm4 s LEU 39 CO 0.16 -0.66 1.38 -0.63 -0.29 0.00 0.00 176.35 176.31 2dm4 s ILE 40 N 1.90 4.06 0.00 6.68 1.01 -1.26 -3.44 121.20 130.15 2dm4 s ILE 40 Ca 0.63 1.25 -0.18 0.00 0.00 0.00 0.00 60.65 62.35 2dm4 s ILE 40 Cb -0.32 -3.92 -0.34 0.00 0.01 0.00 0.00 42.46 37.88 2dm4 s ILE 40 CO 0.27 -0.24 0.94 0.03 0.00 0.00 0.00 174.94 175.95 2dm4 h ARG 41 N 9.07 0.46 0.00 2.79 3.08 -1.79 -3.49 114.38 124.50 2dm4 h ARG 41 Ca -0.29 -0.79 0.07 0.00 0.07 0.00 0.00 59.98 59.04 2dm4 h ARG 41 Cb 1.12 0.29 -0.01 0.00 0.08 0.00 0.00 29.97 31.45 2dm4 h ARG 41 CO 0.99 1.38 0.32 -0.85 -1.07 0.00 0.00 179.97 180.74 2dm4 n GLU 42 N -3.84 0.47 -3.95 0.04 0.28 -1.26 -5.01 120.64 107.37 2dm4 n GLU 42 Ca -0.17 -1.02 -0.27 0.00 -0.16 0.00 0.00 57.16 55.55 2dm4 n GLU 42 Cb 1.02 1.34 -0.17 0.00 1.43 0.00 0.00 31.44 35.06 2dm4 n GLU 42 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 2dm4 s TYR 43 N -3.87 1.55 0.02 -1.84 2.02 -1.15 -1.64 117.35 112.42 2dm4 s TYR 43 Ca 0.13 -0.78 -0.17 0.00 -0.37 0.00 0.00 57.07 55.89 2dm4 s TYR 43 Cb -0.02 -1.26 -0.06 0.00 -0.40 0.00 0.00 41.96 40.22 2dm4 s TYR 43 CO 0.04 -0.52 0.47 -1.50 -1.57 0.00 0.00 175.55 172.47 2dm4 s ILE 44 N 1.64 4.94 -0.19 2.71 2.07 -0.77 -0.36 121.20 131.24 2dm4 s ILE 44 Ca 0.04 0.98 0.01 0.00 -1.41 0.00 0.00 60.65 60.27 2dm4 s ILE 44 Cb -0.13 -3.78 0.04 0.00 0.13 0.00 0.00 42.46 38.72 2dm4 s ILE 44 CO -0.08 0.55 -0.11 0.68 -1.91 0.00 0.00 174.94 174.07 2dm4 s VAL 45 N -0.95 1.66 -0.11 4.00 -7.23 -0.35 -0.81 120.40 116.61 2dm4 s VAL 45 Ca 0.26 -0.97 -0.05 0.00 -1.81 0.00 0.00 61.98 59.40 2dm4 s VAL 45 Cb -0.18 -1.70 -0.04 0.00 0.56 0.00 0.00 36.38 35.02 2dm4 s VAL 45 CO 0.15 0.22 0.09 -1.61 -0.31 0.00 0.00 175.10 173.64 2dm4 s GLU 46 N 1.40 3.30 -0.00 4.82 2.02 0.15 -2.61 118.70 127.77 2dm4 s GLU 46 Ca -0.00 -0.23 -0.01 0.00 0.02 0.00 0.00 54.97 54.75 2dm4 s GLU 46 Cb -0.16 -3.06 -0.00 0.00 0.10 0.00 0.00 34.13 31.01 2dm4 s GLU 46 CO -0.09 0.74 0.01 1.52 0.02 0.00 0.00 175.26 177.47 2dm4 s TYR 47 N -0.95 0.05 -0.17 1.61 1.13 -1.00 -0.06 117.35 117.95 2dm4 s TYR 47 Ca 0.14 -0.09 -0.13 0.00 -1.41 0.00 0.00 57.07 55.58 2dm4 s TYR 47 Cb -0.12 -0.04 0.05 0.00 -1.10 0.00 0.00 41.96 40.75 2dm4 s TYR 47 CO 0.03 -0.06 0.44 0.45 -2.51 0.00 0.00 175.55 173.91 2dm4 s SER 48 N -0.38 -0.50 0.19 -0.18 0.15 -0.88 -1.44 113.70 110.66 2dm4 s SER 48 Ca -0.04 0.92 -0.31 0.00 0.70 0.00 0.00 55.95 57.22 2dm4 s SER 48 Cb -0.03 0.88 -0.10 0.00 -1.71 0.00 0.00 66.02 65.07 2dm4 s SER 48 CO -0.00 -0.17 1.50 -0.60 1.20 0.00 0.00 173.24 175.17 2dm4 s ARG 49 N 0.68 4.25 -0.84 5.44 3.52 -1.26 -1.92 118.95 128.82 2dm4 s ARG 49 Ca -0.04 2.31 -0.21 0.00 -0.13 0.00 0.00 55.73 57.66 2dm4 s ARG 49 Cb -0.05 -3.15 -0.19 0.00 -1.56 0.00 0.00 34.95 30.01 2dm4 s ARG 49 CO -0.05 -0.52 2.23 0.45 -0.81 0.00 0.00 175.30 176.60 2dm4 n SER 50 N 3.35 0.88 0.00 -2.12 2.88 -1.08 -1.64 113.62 115.89 2dm4 n SER 50 Ca 0.11 -1.50 0.00 0.00 -1.33 0.00 0.00 58.87 56.15 2dm4 n SER 50 Cb 0.40 -1.41 0.00 0.00 -0.75 0.00 0.00 64.21 62.45 2dm4 n SER 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dm4 n GLY 51 N 6.31 0.89 3.64 0.46 0.00 -1.26 -5.00 105.19 110.23 2dm4 n GLY 51 Ca 0.47 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.43 2dm4 n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm4 s SER 52 N -1.15 -0.63 -0.04 1.61 0.01 -0.65 -5.03 113.70 107.81 2dm4 s SER 52 Ca 0.00 1.08 -0.00 0.00 1.31 0.00 0.00 55.95 58.34 2dm4 s SER 52 Cb 0.00 1.20 0.02 0.00 0.21 0.00 0.00 66.02 67.46 2dm4 s SER 52 CO 0.00 -0.18 2.02 0.29 0.41 0.00 0.00 173.24 175.78 2dm4 n LYS 53 N 3.39 1.11 -3.61 12.44 5.02 -1.26 -4.47 118.16 130.78 2dm4 n LYS 53 Ca -0.17 -0.21 -0.38 0.00 -2.02 0.00 0.00 58.31 55.53 2dm4 n LYS 53 Cb 0.57 -1.09 -0.07 0.00 -0.02 0.00 0.00 35.03 34.43 2dm4 n LYS 53 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2dm4 s MET 54 N -0.22 3.15 -0.32 1.97 0.23 -1.26 -5.04 119.30 117.80 2dm4 s MET 54 Ca 0.05 -2.95 -0.13 0.00 -1.03 0.00 0.00 55.69 51.63 2dm4 s MET 54 Cb 0.03 -3.98 -0.03 0.00 -1.53 0.00 0.00 34.83 29.33 2dm4 s MET 54 CO -0.00 -1.24 0.24 -1.58 -2.03 0.00 0.00 175.02 170.41 2dm4 s TRP 55 N -0.77 3.23 -0.28 3.16 0.52 -1.26 -4.22 118.94 119.32 2dm4 s TRP 55 Ca 0.23 -0.07 -0.10 0.00 0.02 0.00 0.00 56.10 56.19 2dm4 s TRP 55 Cb -0.12 -2.47 -0.03 0.00 -1.15 0.00 0.00 33.47 29.71 2dm4 s TRP 55 CO -0.09 -0.30 0.15 0.00 0.02 0.00 0.00 176.95 176.73 2dm4 s ALA 56 N 1.77 3.35 -0.09 0.98 0.00 -0.52 -4.86 121.76 122.39 2dm4 s ALA 56 Ca 0.07 -1.21 -0.03 0.00 0.00 0.00 0.00 51.96 50.79 2dm4 s ALA 56 Cb -0.17 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 2dm4 s ALA 56 CO 0.11 -0.66 0.04 -1.54 0.00 0.00 0.00 175.76 173.70 2dm4 s SER 57 N 1.67 5.54 0.03 0.00 1.04 -1.26 -2.39 113.70 118.33 2dm4 s SER 57 Ca 0.06 0.22 -0.07 0.00 0.48 0.00 0.00 55.95 56.65 2dm4 s SER 57 Cb -0.16 -1.62 -0.00 0.00 0.10 0.00 0.00 66.02 64.33 2dm4 s SER 57 CO 0.07 0.38 0.13 0.00 0.98 0.00 0.00 173.24 174.81 2dm4 s GLN 58 N -0.96 0.58 0.25 4.02 -2.07 -1.07 -4.94 119.66 115.48 2dm4 s GLN 58 Ca 0.14 -0.63 -0.21 0.00 -1.82 0.00 0.00 55.36 52.85 2dm4 s GLN 58 Cb -0.12 0.24 -0.09 0.00 -1.09 0.00 0.00 33.01 31.95 2dm4 s GLN 58 CO 0.03 -0.15 0.77 1.03 -1.32 0.00 0.00 175.29 175.65 2dm4 s ARG 59 N -2.26 4.30 -0.16 9.60 3.00 -1.26 -1.21 118.95 130.96 2dm4 s ARG 59 Ca -0.08 0.95 -0.01 0.00 0.00 0.00 0.00 55.73 56.58 2dm4 s ARG 59 Cb -0.03 -2.82 0.05 0.00 0.00 0.00 0.00 34.95 32.14 2dm4 s ARG 59 CO -0.03 0.35 -0.01 0.00 0.00 0.00 0.00 175.30 175.61 2dm4 s ALA 60 N -1.58 1.14 0.45 2.13 0.00 0.51 -4.96 121.76 119.46 2dm4 s ALA 60 Ca 0.45 -0.63 0.11 0.00 0.00 0.00 0.00 51.96 51.90 2dm4 s ALA 60 Cb -0.16 -1.06 1.00 0.00 0.00 0.00 0.00 23.12 22.90 2dm4 s ALA 60 CO 0.21 -0.86 2.05 0.00 0.00 0.00 0.00 175.76 177.17 2dm4 h ALA 61 N 8.21 1.77 -5.76 0.00 0.00 -1.86 -3.05 119.26 118.57 2dm4 h ALA 61 Ca -0.20 -0.07 -0.37 0.00 0.00 0.00 0.00 54.91 54.27 2dm4 h ALA 61 Cb 1.12 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.84 2dm4 h ALA 61 CO 0.35 0.19 -0.09 0.43 0.00 0.00 0.00 179.25 180.13 2dm4 n SER 62 N -4.44 1.73 -0.61 0.00 7.64 -1.26 -4.91 113.62 111.76 2dm4 n SER 62 Ca -0.00 -2.19 0.02 0.00 1.01 0.00 0.00 58.87 57.70 2dm4 n SER 62 Cb 0.13 -0.24 0.08 0.00 -1.01 0.00 0.00 64.21 63.17 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 -2.35 1.58 -3.79 6.43 4.13 -1.26 -4.77 115.26 115.22 2dm4 n ASN 63 Ca 0.09 -2.13 -0.09 0.00 1.68 0.00 0.00 54.58 54.13 2dm4 n ASN 63 Cb 0.44 -0.39 -0.06 0.00 -1.54 0.00 0.00 39.78 38.23 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 -1.51 0.05 0.32 3.10 -0.71 -1.26 -1.68 117.98 116.29 2dm4 s PHE 64 Ca 0.11 -0.43 0.01 0.00 -1.04 0.00 0.00 56.93 55.58 2dm4 s PHE 64 Cb 0.07 0.06 -0.02 0.00 -1.21 0.00 0.00 43.02 41.93 2dm4 s PHE 64 CO 0.04 -0.63 0.36 -0.08 -1.34 0.00 0.00 175.22 173.58 2dm4 s THR 65 N -3.85 0.00 -0.32 -4.49 -1.32 -0.33 -4.77 115.64 100.56 2dm4 s THR 65 Ca 0.06 -1.80 -0.01 0.00 -1.21 0.00 0.00 61.69 58.74 2dm4 s THR 65 Cb 0.03 -2.56 0.10 0.00 -1.51 0.00 0.00 72.50 68.57 2dm4 s THR 65 CO -0.10 0.00 0.11 -1.61 -2.21 0.00 0.00 174.62 170.81 2dm4 s GLU 66 N -3.35 0.74 -0.68 7.08 2.02 -1.26 -2.00 118.70 121.24 2dm4 s GLU 66 Ca 0.35 -1.12 -0.25 0.00 0.02 0.00 0.00 54.97 53.97 2dm4 s GLU 66 Cb 0.01 -1.99 0.04 0.00 0.10 0.00 0.00 34.13 32.30 2dm4 s GLU 66 CO 0.22 -1.00 1.14 0.42 0.02 0.00 0.00 175.26 176.06 2dm4 s ILE 67 N 1.55 4.00 0.50 -1.63 1.01 -0.22 -4.88 121.20 121.54 2dm4 s ILE 67 Ca 0.10 0.17 0.07 0.00 0.00 0.00 0.00 60.65 60.99 2dm4 s ILE 67 Cb -0.18 -4.79 0.09 0.00 0.01 0.00 0.00 42.46 37.59 2dm4 s ILE 67 CO -0.24 -1.62 0.69 0.29 0.00 0.00 0.00 174.94 174.06 2dm4 n LYS 68 N 8.58 0.56 -3.02 2.79 5.02 -1.26 0.11 118.16 130.93 2dm4 n LYS 68 Ca 0.01 -2.53 -0.12 0.00 -2.02 0.00 0.00 58.31 53.64 2dm4 n LYS 68 Cb 0.48 -0.26 0.06 0.00 -0.02 0.00 0.00 35.03 35.29 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 -2.53 -2.37 -4.49 4.39 3.02 -1.17 -4.93 115.26 107.18 2dm4 n ASN 69 Ca 0.14 -0.46 -0.28 0.00 -0.03 0.00 0.00 54.58 53.94 2dm4 n ASN 69 Cb 0.50 -3.91 -0.09 0.00 -0.61 0.00 0.00 39.78 35.67 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 -5.16 2.27 -0.25 3.41 1.43 -0.09 -5.06 118.68 115.24 2dm4 s LEU 70 Ca 0.03 -1.58 -0.09 0.00 -1.03 0.00 0.00 54.13 51.47 2dm4 s LEU 70 Cb -0.00 -0.51 -0.04 0.00 0.03 0.00 0.00 46.19 45.67 2dm4 s LEU 70 CO 0.54 -0.78 0.12 -0.76 0.23 0.00 0.00 176.35 175.70 2dm4 s LEU 71 N -3.71 3.79 0.51 1.79 1.43 -1.26 -4.45 118.68 116.78 2dm4 s LEU 71 Ca 0.20 -0.05 -0.23 0.00 -1.03 0.00 0.00 54.13 53.03 2dm4 s LEU 71 Cb 0.04 -2.02 -0.06 0.00 0.03 0.00 0.00 46.19 44.18 2dm4 s LEU 71 CO 0.11 0.01 1.39 0.68 0.23 0.00 0.00 176.35 178.76 2dm4 s VAL 72 N 1.37 2.06 -1.04 -1.59 -7.23 -1.26 -3.15 120.40 109.56 2dm4 s VAL 72 Ca 0.06 0.05 -0.02 0.00 -1.81 0.00 0.00 61.98 60.27 2dm4 s VAL 72 Cb -0.15 -3.03 0.00 0.00 0.56 0.00 0.00 36.38 33.77 2dm4 s VAL 72 CO 0.06 0.00 0.88 0.59 -0.31 0.00 0.00 175.10 176.32 2dm4 n ASN 73 N -0.73 -2.86 -3.78 4.85 3.02 -1.12 -4.86 115.26 109.77 2dm4 n ASN 73 Ca 0.08 -0.51 -0.13 0.00 -0.03 0.00 0.00 54.58 54.00 2dm4 n ASN 73 Cb 0.44 -4.38 -0.13 0.00 -0.61 0.00 0.00 39.78 35.10 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 -3.30 -0.02 0.20 3.41 2.01 -1.19 -4.86 115.64 111.90 2dm4 s THR 74 Ca 0.11 0.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.87 2dm4 s THR 74 Cb -0.05 -0.29 -0.09 0.00 0.01 0.00 0.00 72.50 72.08 2dm4 s THR 74 CO 0.61 0.03 1.41 -0.22 -0.69 0.00 0.00 174.62 175.76 2dm4 s LEU 75 N 0.53 4.39 -0.05 4.42 1.98 -1.26 -1.86 118.68 126.83 2dm4 s LEU 75 Ca -0.04 2.53 0.01 0.00 -2.89 0.00 0.00 54.13 53.74 2dm4 s LEU 75 Cb -0.05 -3.61 0.02 0.00 0.66 0.00 0.00 46.19 43.21 2dm4 s LEU 75 CO -0.03 -0.66 -0.04 -0.31 -1.89 0.00 0.00 176.35 173.42 2dm4 s TYR 76 N 0.35 0.80 -0.40 5.38 2.02 -0.18 -2.64 117.35 122.69 2dm4 s TYR 76 Ca 0.61 -0.24 -0.19 0.00 -0.37 0.00 0.00 57.07 56.88 2dm4 s TYR 76 Cb -0.40 -0.73 0.01 0.00 -0.40 0.00 0.00 41.96 40.44 2dm4 s TYR 76 CO 0.38 -0.24 0.54 0.99 -1.57 0.00 0.00 175.55 175.66 2dm4 s THR 77 N 1.13 4.97 0.02 -0.71 2.01 -0.81 -1.83 115.64 120.42 2dm4 s THR 77 Ca -0.08 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.03 2dm4 s THR 77 Cb -0.14 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 2dm4 s THR 77 CO -0.01 -0.40 0.08 -0.69 -0.69 0.00 0.00 174.62 172.92 2dm4 s VAL 78 N 2.49 4.69 -0.10 3.82 1.01 -0.60 -2.07 120.40 129.63 2dm4 s VAL 78 Ca 0.19 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 61.58 2dm4 s VAL 78 Cb -0.15 -3.18 0.03 0.00 0.00 0.00 0.00 36.38 33.08 2dm4 s VAL 78 CO 0.15 0.29 0.27 0.00 0.00 0.00 0.00 175.10 175.82 2dm4 s ARG 79 N -1.91 0.30 -0.00 2.72 1.70 0.92 -2.28 118.95 120.40 2dm4 s ARG 79 Ca 0.25 0.41 0.08 0.00 -0.47 0.00 0.00 55.73 55.99 2dm4 s ARG 79 Cb -0.12 0.11 -0.02 0.00 -0.57 0.00 0.00 34.95 34.35 2dm4 s ARG 79 CO 0.16 -0.06 -0.24 0.08 -1.08 0.00 0.00 175.30 174.16 2dm4 s VAL 80 N 0.33 2.27 -0.01 4.99 1.01 -1.26 0.30 120.40 128.03 2dm4 s VAL 80 Ca -0.02 -1.15 0.02 0.00 0.00 0.00 0.00 61.98 60.84 2dm4 s VAL 80 Cb -0.03 -1.84 -0.00 0.00 0.00 0.00 0.00 36.38 34.50 2dm4 s VAL 80 CO -0.01 0.50 -0.07 0.00 0.00 0.00 0.00 175.10 175.52 2dm4 s ALA 81 N -0.71 0.63 -0.30 5.51 0.00 0.01 -0.06 121.76 126.84 2dm4 s ALA 81 Ca 0.11 -0.28 -0.28 0.00 0.00 0.00 0.00 51.96 51.52 2dm4 s ALA 81 Cb -0.10 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.83 2dm4 s ALA 81 CO 0.01 0.13 1.00 0.00 0.00 0.00 0.00 175.76 176.90 2dm4 s ALA 82 N -0.01 3.54 0.25 0.00 0.00 -1.26 -1.85 121.76 122.44 2dm4 s ALA 82 Ca 0.01 -0.10 -0.16 0.00 0.00 0.00 0.00 51.96 51.70 2dm4 s ALA 82 Cb -0.05 -3.56 -0.08 0.00 0.00 0.00 0.00 23.12 19.43 2dm4 s ALA 82 CO -0.00 -1.34 0.69 0.08 0.00 0.00 0.00 175.76 175.19 2dm4 s VAL 83 N 3.41 4.67 0.41 0.00 1.01 -0.65 -2.01 120.40 127.24 2dm4 s VAL 83 Ca 0.42 1.04 0.03 0.00 0.00 0.00 0.00 61.98 63.48 2dm4 s VAL 83 Cb -0.13 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 2dm4 s VAL 83 CO 0.13 0.05 0.08 0.42 0.00 0.00 0.00 175.10 175.78 2dm4 s THR 84 N -1.70 0.93 0.46 3.92 -4.23 0.87 -2.59 115.64 113.30 2dm4 s THR 84 Ca 0.47 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.17 2dm4 s THR 84 Cb -0.14 -2.44 0.37 0.00 1.34 0.00 0.00 72.50 71.64 2dm4 s THR 84 CO 0.19 0.00 1.94 0.77 -0.54 0.00 0.00 174.62 176.98 2dm4 h SER 85 N 1.76 0.26 0.07 3.99 4.64 -1.91 -2.00 113.55 120.36 2dm4 h SER 85 Ca -0.39 0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 60.85 2dm4 h SER 85 Cb 1.27 -0.04 0.01 0.00 -0.31 0.00 0.00 62.40 63.34 2dm4 h SER 85 CO 0.65 0.13 -0.41 -0.09 -0.87 0.00 0.00 176.83 176.24 2dm4 h ARG 86 N 0.28 0.15 0.00 4.77 2.43 -1.95 -3.51 114.38 116.55 2dm4 h ARG 86 Ca 0.34 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2dm4 h ARG 86 Cb 0.95 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 2dm4 h ARG 86 CO -0.08 1.12 0.00 0.41 -1.51 0.00 0.00 179.97 179.91 2dm4 n GLY 87 N 1.63 -0.97 3.75 2.80 0.00 -0.75 -5.13 105.19 106.51 2dm4 n GLY 87 Ca -0.12 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 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 3.35 0.00 -0.61 1.01 -1.26 -0.09 121.20 120.60 2dm4 s ILE 88 Ca 0.00 1.29 0.00 0.00 0.00 0.00 0.00 60.65 61.94 2dm4 s ILE 88 Cb 0.00 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.65 2dm4 s ILE 88 CO 0.00 0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.83 2dm4 n GLY 89 N 1.40 1.65 3.69 6.18 0.00 -0.85 -4.91 105.19 112.35 2dm4 n GLY 89 Ca 0.01 -1.74 -0.29 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.00 3.11 -0.15 1.61 0.01 -1.26 -4.84 114.94 112.42 2dm4 s ASN 90 Ca 0.00 1.45 -0.07 0.00 -0.71 0.00 0.00 52.86 53.53 2dm4 s ASN 90 Cb 0.00 -2.12 -0.04 0.00 0.41 0.00 0.00 41.25 39.50 2dm4 s ASN 90 CO 0.00 -2.86 0.09 0.26 -1.51 0.00 0.00 177.10 173.08 2dm4 s TRP 91 N -2.90 3.37 0.64 2.20 0.52 -1.26 -4.06 118.94 117.45 2dm4 s TRP 91 Ca 0.64 0.27 -0.16 0.00 0.02 0.00 0.00 56.10 56.87 2dm4 s TRP 91 Cb -0.19 -2.01 -0.01 0.00 -1.15 0.00 0.00 33.47 30.11 2dm4 s TRP 91 CO 0.58 0.40 1.12 -1.54 0.02 0.00 0.00 176.95 177.53 2dm4 s SER 92 N -0.23 5.16 -0.77 2.95 1.04 0.92 -4.80 113.70 117.96 2dm4 s SER 92 Ca 0.09 2.08 -0.33 0.00 0.48 0.00 0.00 55.95 58.27 2dm4 s SER 92 Cb -0.12 -2.56 -0.18 0.00 0.10 0.00 0.00 66.02 63.26 2dm4 s SER 92 CO 0.01 -1.60 2.51 0.47 0.98 0.00 0.00 173.24 175.61 2dm4 n ASP 93 N -2.19 0.86 -4.71 7.02 8.00 -1.26 -4.49 116.55 119.79 2dm4 n ASP 93 Ca 0.11 0.19 -0.42 0.00 0.71 0.00 0.00 54.79 55.37 2dm4 n ASP 93 Cb 0.52 -1.05 -0.03 0.00 -0.02 0.00 0.00 41.12 40.53 2dm4 n ASP 93 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2dm4 s SER 94 N 8.80 6.59 0.36 -2.24 1.04 -1.26 -4.88 113.70 122.11 2dm4 s SER 94 Ca 1.25 2.57 0.08 0.00 0.48 0.00 0.00 55.95 60.33 2dm4 s SER 94 Cb -1.10 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 62.39 2dm4 s SER 94 CO 0.48 -0.85 0.07 -0.54 0.98 0.00 0.00 173.24 173.38 2dm4 s LYS 95 N 1.74 2.15 -0.05 4.02 -0.14 -0.97 -4.96 119.74 121.54 2dm4 s LYS 95 Ca 0.72 -1.76 0.05 0.00 -1.36 0.00 0.00 55.97 53.61 2dm4 s LYS 95 Cb -0.42 -1.96 -0.01 0.00 -1.68 0.00 0.00 37.83 33.76 2dm4 s LYS 95 CO 0.32 0.06 -0.20 -1.54 -0.76 0.00 0.00 175.35 173.23 2dm4 s SER 96 N -3.78 2.49 -0.01 2.83 1.04 -1.26 -1.56 113.70 113.45 2dm4 s SER 96 Ca 0.37 -0.41 0.01 0.00 0.48 0.00 0.00 55.95 56.39 2dm4 s SER 96 Cb 0.01 -0.65 0.01 0.00 0.10 0.00 0.00 66.02 65.50 2dm4 s SER 96 CO 0.20 0.19 -0.01 -0.51 0.98 0.00 0.00 173.24 174.10 2dm4 s ILE 97 N -0.08 0.16 -0.43 -1.02 2.07 -0.76 -4.93 121.20 116.20 2dm4 s ILE 97 Ca -0.03 0.00 -0.22 0.00 -1.41 0.00 0.00 60.65 58.99 2dm4 s ILE 97 Cb -0.12 -0.20 0.02 0.00 0.13 0.00 0.00 42.46 42.30 2dm4 s ILE 97 CO 0.02 0.09 0.74 -0.89 -1.91 0.00 0.00 174.94 173.00 2dm4 s THR 98 N 0.47 4.71 1.21 4.00 2.01 -1.26 -1.01 115.64 125.78 2dm4 s THR 98 Ca -0.04 0.41 -0.18 0.00 0.31 0.00 0.00 61.69 62.19 2dm4 s THR 98 Cb -0.07 -4.27 0.24 0.00 0.01 0.00 0.00 72.50 68.41 2dm4 s THR 98 CO -0.01 -0.64 0.55 0.35 -0.69 0.00 0.00 174.62 174.18 2dm4 n THR 99 N 6.01 0.00 -4.30 -0.82 -2.24 -0.78 -4.79 114.28 107.37 2dm4 n THR 99 Ca 0.01 -0.22 -0.16 0.00 -2.27 0.00 0.00 64.05 61.41 2dm4 n THR 99 Cb 0.48 -0.78 -0.10 0.00 -2.10 0.00 0.00 70.33 67.83 2dm4 n THR 99 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 2dm4 s ILE 100 N -2.21 1.11 -0.78 2.28 -4.36 -1.26 -2.81 121.20 113.17 2dm4 s ILE 100 Ca 0.58 -2.05 -0.01 0.00 -0.26 0.00 0.00 60.65 58.90 2dm4 s ILE 100 Cb -0.14 -2.13 0.19 0.00 1.25 0.00 0.00 42.46 41.63 2dm4 s ILE 100 CO 0.57 -0.51 0.64 -0.75 0.24 0.00 0.00 174.94 175.13 2dm4 s LYS 101 N -3.81 2.95 0.01 0.37 2.36 -1.26 -4.04 119.74 116.33 2dm4 s LYS 101 Ca 0.23 -3.04 0.00 0.00 -2.55 0.00 0.00 55.97 50.62 2dm4 s LYS 101 Cb 0.04 -3.82 0.00 0.00 -1.05 0.00 0.00 37.83 33.00 2dm4 s LYS 101 CO 0.05 -1.24 0.00 0.41 1.55 0.00 0.00 175.35 176.13 2dm4 n GLY 102 N 2.68 -1.77 3.76 5.54 0.00 -1.26 -5.01 105.19 109.13 2dm4 n GLY 102 Ca 0.17 -1.50 -0.24 0.00 0.00 0.00 0.00 46.02 44.45 2dm4 n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dm4 s SER 103 N -4.22 4.56 0.00 1.61 1.04 -1.26 -5.07 113.70 110.36 2dm4 s SER 103 Ca 0.00 -0.99 0.00 0.00 0.48 0.00 0.00 55.95 55.44 2dm4 s SER 103 Cb 0.00 -0.52 0.00 0.00 0.10 0.00 0.00 66.02 65.60 2dm4 s SER 103 CO 0.00 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.29 2dm4 n GLY 104 N -1.28 -0.07 0.17 7.32 0.00 -1.26 -5.04 105.19 105.03 2dm4 n GLY 104 Ca -0.00 0.09 0.02 0.00 0.00 0.00 0.00 46.02 46.12 2dm4 n GLY 104 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dm4 h PRO 105 N 0.00 0.00 -6.50 1.61 0.13 -2.05 -3.43 132.00 121.76 2dm4 h PRO 105 Ca 0.00 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.60 2dm4 h PRO 105 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2dm4 h PRO 105 CO 0.00 0.45 0.43 -1.54 -0.23 0.00 0.00 178.00 177.12 2dm4 s SER 106 N -6.82 7.31 0.15 1.44 1.04 -1.26 -5.04 113.70 110.52 2dm4 s SER 106 Ca -0.02 1.84 -0.09 0.00 0.48 0.00 0.00 55.95 58.16 2dm4 s SER 106 Cb 0.13 -2.58 -0.06 0.00 0.10 0.00 0.00 66.02 63.61 2dm4 s SER 106 CO 0.73 -0.27 0.46 -0.94 0.98 0.00 0.00 173.24 174.21 2dm4 s SER 107 N 0.64 6.62 0.00 7.02 1.04 -1.26 -5.23 113.70 122.53 2dm4 s SER 107 Ca 0.52 0.82 0.00 0.00 0.48 0.00 0.00 55.95 57.77 2dm4 s SER 107 Cb -0.25 -2.19 0.00 0.00 0.10 0.00 0.00 66.02 63.68 2dm4 s SER 107 CO 0.30 0.05 0.00 0.61 0.98 0.00 0.00 173.24 175.18