#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm1 s SER 2 N 0.00 2.12 0.14 1.61 0.01 -1.26 -4.95 113.70 111.37 2dm1 s SER 2 Ca 0.00 0.95 -0.26 0.00 1.31 0.00 0.00 55.95 57.94 2dm1 s SER 2 Cb 0.00 -1.45 -0.02 0.00 0.21 0.00 0.00 66.02 64.76 2dm1 s SER 2 CO 0.00 -3.42 1.60 -1.28 0.41 0.00 0.00 173.24 170.55 2dm1 h SER 3 N -2.09 -1.11 -1.88 2.44 0.87 -2.14 -3.32 113.55 106.32 2dm1 h SER 3 Ca -0.51 0.16 -0.57 0.00 -1.23 0.00 0.00 61.79 59.64 2dm1 h SER 3 Cb 1.32 0.47 -0.10 0.00 -0.44 0.00 0.00 62.40 63.66 2dm1 h SER 3 CO 0.50 -0.37 1.20 -0.83 -0.53 0.00 0.00 176.83 176.80 2dm1 s GLY 4 N -2.66 1.10 -0.24 5.77 0.00 -1.26 -4.92 107.32 105.11 2dm1 s GLY 4 Ca -0.15 -1.80 -0.02 0.00 0.00 0.00 0.00 44.72 42.74 2dm1 s GLY 4 CO 0.66 2.61 0.34 -0.56 0.00 0.00 0.00 173.10 176.15 2dm1 s SER 5 N 4.22 0.59 -0.41 1.64 0.01 -1.25 -5.12 113.70 113.39 2dm1 s SER 5 Ca 0.39 0.02 -0.08 0.00 1.31 0.00 0.00 55.95 57.58 2dm1 s SER 5 Cb -0.05 0.92 0.08 0.00 0.21 0.00 0.00 66.02 67.18 2dm1 s SER 5 CO 0.04 -0.32 0.23 -0.44 0.41 0.00 0.00 173.24 173.16 2dm1 s SER 6 N 2.49 5.53 -0.59 2.44 0.01 -1.26 -5.03 113.70 117.29 2dm1 s SER 6 Ca 0.11 -1.55 -0.35 0.00 1.31 0.00 0.00 55.95 55.48 2dm1 s SER 6 Cb -0.15 -1.94 -0.15 0.00 0.21 0.00 0.00 66.02 63.98 2dm1 s SER 6 CO -0.17 -0.51 2.36 0.61 0.41 0.00 0.00 173.24 175.93 2dm1 n GLY 7 N 4.85 0.02 3.48 3.44 0.00 -1.26 -4.74 105.19 110.99 2dm1 n GLY 7 Ca -0.09 1.00 -0.45 0.00 0.00 0.00 0.00 46.02 46.47 2dm1 n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dm1 n GLY 8 N 6.66 0.21 2.96 -0.02 0.00 -1.26 -4.90 105.19 108.84 2dm1 n GLY 8 Ca 0.51 0.91 -0.13 0.00 0.00 0.00 0.00 46.02 47.31 2dm1 n GLY 8 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dm1 s THR 9 N 8.88 -0.01 0.43 2.61 -4.23 -1.26 -2.57 115.64 119.49 2dm1 s THR 9 Ca 1.12 0.04 0.06 0.00 -1.18 0.00 0.00 61.69 61.73 2dm1 s THR 9 Cb -0.77 -0.16 -0.06 0.00 1.34 0.00 0.00 72.50 72.84 2dm1 s THR 9 CO 0.43 0.02 0.06 0.00 -0.54 0.00 0.00 174.62 174.59 2dm1 s ALA 10 N 0.29 3.47 -0.03 3.99 0.00 -0.32 -2.92 121.76 126.23 2dm1 s ALA 10 Ca -0.02 -1.88 0.01 0.00 0.00 0.00 0.00 51.96 50.07 2dm1 s ALA 10 Cb -0.03 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.10 2dm1 s ALA 10 CO -0.01 -0.12 -0.05 0.54 0.00 0.00 0.00 175.76 176.12 2dm1 s VAL 11 N -2.72 0.52 -0.18 0.00 0.11 -0.73 -2.02 120.40 115.39 2dm1 s VAL 11 Ca 0.31 -0.16 -0.29 0.00 -2.93 0.00 0.00 61.98 58.91 2dm1 s VAL 11 Cb 0.07 -0.52 -0.04 0.00 -1.53 0.00 0.00 36.38 34.36 2dm1 s VAL 11 CO 0.16 0.20 1.76 0.00 -3.33 0.00 0.00 175.10 173.89 2dm1 s ALA 12 N 0.62 3.25 -0.79 1.54 0.00 -1.21 -0.48 121.76 124.68 2dm1 s ALA 12 Ca -0.08 0.66 0.24 0.00 0.00 0.00 0.00 51.96 52.78 2dm1 s ALA 12 Cb -0.11 -3.88 0.23 0.00 0.00 0.00 0.00 23.12 19.36 2dm1 s ALA 12 CO 0.00 -1.99 1.20 0.54 0.00 0.00 0.00 175.76 175.51 2dm1 n ARG 13 N 7.78 0.16 -3.78 0.00 5.12 -0.64 -1.87 116.66 123.44 2dm1 n ARG 13 Ca 0.20 0.01 -0.13 0.00 -1.93 0.00 0.00 57.85 56.01 2dm1 n ARG 13 Cb 0.44 -1.57 -0.09 0.00 -1.16 0.00 0.00 32.46 30.08 2dm1 n ARG 13 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2dm1 s TYR 14 N -3.10 -0.18 0.15 -1.55 2.02 -1.18 -4.91 117.35 108.60 2dm1 s TYR 14 Ca 0.07 0.33 -0.30 0.00 -0.37 0.00 0.00 57.07 56.79 2dm1 s TYR 14 Cb 0.15 0.08 -0.08 0.00 -0.40 0.00 0.00 41.96 41.72 2dm1 s TYR 14 CO 0.76 -0.32 1.26 -0.80 -1.57 0.00 0.00 175.55 174.88 2dm1 s ASN 15 N -1.01 6.99 -0.01 2.29 0.01 -1.26 -4.45 114.94 117.50 2dm1 s ASN 15 Ca -0.11 2.26 -0.00 0.00 -0.71 0.00 0.00 52.86 54.30 2dm1 s ASN 15 Cb -0.05 -2.60 0.01 0.00 0.41 0.00 0.00 41.25 39.02 2dm1 s ASN 15 CO 0.03 -0.48 0.01 0.12 -1.51 0.00 0.00 177.10 175.27 2dm1 s PHE 16 N 0.40 0.01 -0.23 2.20 5.36 0.10 -5.02 117.98 120.81 2dm1 s PHE 16 Ca 0.57 0.05 -0.07 0.00 -0.96 0.00 0.00 56.93 56.52 2dm1 s PHE 16 Cb -0.34 -0.09 -0.03 0.00 -0.34 0.00 0.00 43.02 42.22 2dm1 s PHE 16 CO 0.35 -0.03 0.07 0.00 -1.46 0.00 0.00 175.22 174.14 2dm1 s ALA 17 N 0.40 3.26 0.02 11.12 0.00 -1.26 -2.02 121.76 133.28 2dm1 s ALA 17 Ca -0.03 -0.99 -0.30 0.00 0.00 0.00 0.00 51.96 50.63 2dm1 s ALA 17 Cb -0.05 -2.04 -0.07 0.00 0.00 0.00 0.00 23.12 20.97 2dm1 s ALA 17 CO -0.01 -0.26 1.53 0.00 0.00 0.00 0.00 175.76 177.02 2dm1 s ALA 18 N 1.19 3.63 -0.01 0.00 0.00 -1.26 -4.92 121.76 120.39 2dm1 s ALA 18 Ca 0.05 1.02 -0.21 0.00 0.00 0.00 0.00 51.96 52.82 2dm1 s ALA 18 Cb -0.14 -3.65 -0.23 0.00 0.00 0.00 0.00 23.12 19.09 2dm1 s ALA 18 CO 0.03 -1.05 1.09 0.07 0.00 0.00 0.00 175.76 175.91 2dm1 h ARG 19 N 8.22 0.36 -6.16 0.00 0.11 -1.96 -3.46 114.38 111.48 2dm1 h ARG 19 Ca -0.40 -0.38 -0.51 0.00 0.10 0.00 0.00 59.98 58.79 2dm1 h ARG 19 Cb 1.19 0.11 -0.05 0.00 1.11 0.00 0.00 29.97 32.32 2dm1 h ARG 19 CO 0.92 1.06 -0.48 0.34 0.10 0.00 0.00 179.97 181.91 2dm1 s ASP 20 N -6.64 5.06 0.07 0.08 2.15 -1.26 -5.05 116.67 111.08 2dm1 s ASP 20 Ca -0.14 -0.60 -0.26 0.00 0.43 0.00 0.00 52.55 51.98 2dm1 s ASP 20 Cb 0.03 -0.88 -0.16 0.00 -0.30 0.00 0.00 42.92 41.61 2dm1 s ASP 20 CO 0.80 -0.34 1.64 -0.03 -0.17 0.00 0.00 175.17 177.08 2dm1 h MET 21 N 1.36 -0.24 -0.93 4.34 -1.53 -2.02 -2.78 114.93 113.13 2dm1 h MET 21 Ca -0.44 0.02 0.26 0.00 -3.44 0.00 0.00 59.70 56.10 2dm1 h MET 21 Cb 1.25 0.05 -0.14 0.00 -0.55 0.00 0.00 31.60 32.22 2dm1 h MET 21 CO 0.60 -0.11 0.38 0.07 0.14 0.00 0.00 176.91 178.00 2dm1 h ARG 22 N -0.31 0.28 -7.17 0.39 0.11 -1.96 -3.41 114.38 102.31 2dm1 h ARG 22 Ca -0.03 -0.02 -0.46 0.00 0.10 0.00 0.00 59.98 59.58 2dm1 h ARG 22 Cb 0.24 -0.06 0.21 0.00 1.11 0.00 0.00 29.97 31.47 2dm1 h ARG 22 CO 0.04 0.19 0.06 -1.21 0.10 0.00 0.00 179.97 179.15 2dm1 s GLU 23 N -5.83 -0.48 -0.06 0.08 2.02 -1.05 -0.62 118.70 112.77 2dm1 s GLU 23 Ca -0.11 1.05 0.02 0.00 0.02 0.00 0.00 54.97 55.95 2dm1 s GLU 23 Cb 0.27 -1.59 0.01 0.00 0.10 0.00 0.00 34.13 32.92 2dm1 s GLU 23 CO 0.78 -3.49 -0.12 -1.17 0.02 0.00 0.00 175.26 171.28 2dm1 s LEU 24 N -7.09 1.68 0.32 1.80 2.96 -0.63 -4.45 118.68 113.26 2dm1 s LEU 24 Ca 0.68 -0.28 -0.29 0.00 -0.22 0.00 0.00 54.13 54.02 2dm1 s LEU 24 Cb -0.25 -0.79 -0.10 0.00 0.50 0.00 0.00 46.19 45.56 2dm1 s LEU 24 CO 0.63 0.05 1.27 -0.94 -1.32 0.00 0.00 176.35 176.04 2dm1 s SER 25 N 0.54 6.86 -0.12 3.68 1.04 -1.26 -4.60 113.70 119.83 2dm1 s SER 25 Ca -0.12 2.61 0.03 0.00 0.48 0.00 0.00 55.95 58.96 2dm1 s SER 25 Cb -0.14 -2.64 0.01 0.00 0.10 0.00 0.00 66.02 63.34 2dm1 s SER 25 CO 0.03 -0.47 -0.22 -0.76 0.98 0.00 0.00 173.24 172.80 2dm1 s LEU 26 N -1.68 2.06 -0.02 2.42 1.43 -0.86 -5.00 118.68 117.04 2dm1 s LEU 26 Ca 0.48 -0.57 0.08 0.00 -1.03 0.00 0.00 54.13 53.09 2dm1 s LEU 26 Cb -0.38 -1.39 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 2dm1 s LEU 26 CO 0.51 0.11 -0.25 -0.60 0.23 0.00 0.00 176.35 176.34 2dm1 s ARG 27 N 0.62 2.11 -0.66 1.70 3.52 -1.26 -0.72 118.95 124.26 2dm1 s ARG 27 Ca -0.12 -0.91 -0.33 0.00 -0.13 0.00 0.00 55.73 54.24 2dm1 s ARG 27 Cb -0.17 -2.01 -0.16 0.00 -1.56 0.00 0.00 34.95 31.06 2dm1 s ARG 27 CO 0.03 0.53 2.44 0.39 -0.81 0.00 0.00 175.30 177.88 2dm1 n GLU 28 N 2.51 0.50 0.00 5.12 1.02 -1.26 0.58 120.64 129.11 2dm1 n GLU 28 Ca -0.16 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 2dm1 n GLU 28 Cb 0.51 -2.18 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 2dm1 n GLU 28 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dm1 n GLY 29 N 6.53 1.97 3.46 0.62 0.00 -0.78 -4.99 105.19 112.01 2dm1 n GLY 29 Ca 0.52 -0.53 -0.48 0.00 0.00 0.00 0.00 46.02 45.52 2dm1 n GLY 29 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dm1 n ASP 30 N 0.10 2.09 -4.75 1.61 9.92 0.20 -4.65 116.55 121.06 2dm1 n ASP 30 Ca 0.00 0.31 -0.40 0.00 -0.53 0.00 0.00 54.79 54.16 2dm1 n ASP 30 Cb 0.00 -1.29 -0.05 0.00 -0.64 0.00 0.00 41.12 39.15 2dm1 n ASP 30 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2dm1 s VAL 31 N 7.90 3.66 0.04 2.53 1.01 -1.26 -3.32 120.40 130.96 2dm1 s VAL 31 Ca 1.10 1.62 0.05 0.00 0.00 0.00 0.00 61.98 64.75 2dm1 s VAL 31 Cb -0.80 -4.03 -0.02 0.00 0.00 0.00 0.00 36.38 31.53 2dm1 s VAL 31 CO 0.46 0.36 -0.15 -0.69 0.00 0.00 0.00 175.10 175.09 2dm1 s VAL 32 N -0.97 1.19 -0.35 2.92 1.01 -0.85 -4.45 120.40 118.90 2dm1 s VAL 32 Ca 0.45 -1.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.35 2dm1 s VAL 32 Cb -0.30 -1.07 0.04 0.00 0.00 0.00 0.00 36.38 35.05 2dm1 s VAL 32 CO 0.38 0.05 0.13 -0.60 0.00 0.00 0.00 175.10 175.06 2dm1 s ARG 33 N -1.11 2.62 -0.51 2.72 3.52 -1.26 -1.18 118.95 123.76 2dm1 s ARG 33 Ca 0.03 -1.22 -0.27 0.00 -0.13 0.00 0.00 55.73 54.14 2dm1 s ARG 33 Cb -0.08 -3.52 -0.04 0.00 -1.56 0.00 0.00 34.95 29.75 2dm1 s ARG 33 CO 0.01 -0.71 2.10 0.42 -0.81 0.00 0.00 175.30 176.31 2dm1 s ILE 34 N 1.41 3.21 -0.11 4.11 1.01 -1.06 -3.88 121.20 125.89 2dm1 s ILE 34 Ca -0.01 0.14 -0.03 0.00 0.00 0.00 0.00 60.65 60.76 2dm1 s ILE 34 Cb -0.20 -3.48 -0.02 0.00 0.01 0.00 0.00 42.46 38.77 2dm1 s ILE 34 CO 0.03 -0.44 0.01 1.88 0.00 0.00 0.00 174.94 176.41 2dm1 h TYR 35 N 16.63 0.00 -3.43 3.97 0.05 -0.63 -3.46 116.97 130.10 2dm1 h TYR 35 Ca -0.27 0.00 -0.68 0.00 0.05 0.00 0.00 58.73 57.83 2dm1 h TYR 35 Cb 1.21 0.00 -0.16 0.00 1.01 0.00 0.00 36.73 38.79 2dm1 h TYR 35 CO 0.99 0.05 -0.65 0.45 -1.05 0.00 0.00 178.16 177.96 2dm1 s SER 36 N -5.62 5.03 -0.14 3.88 0.15 -1.18 -5.00 113.70 110.83 2dm1 s SER 36 Ca -0.03 0.07 0.04 0.00 0.70 0.00 0.00 55.95 56.72 2dm1 s SER 36 Cb 0.00 -1.36 -0.23 0.00 -1.71 0.00 0.00 66.02 62.72 2dm1 s SER 36 CO 0.07 0.36 0.28 0.54 1.20 0.00 0.00 173.24 175.68 2dm1 n ARG 37 N 2.06 0.69 -4.41 5.44 1.74 -1.26 -2.91 116.66 118.02 2dm1 n ARG 37 Ca -0.18 0.21 -0.26 0.00 -0.77 0.00 0.00 57.85 56.85 2dm1 n ARG 37 Cb 0.53 -1.66 -0.12 0.00 -1.02 0.00 0.00 32.46 30.19 2dm1 n ARG 37 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 2dm1 s ILE 38 N -2.55 2.27 0.00 0.55 -5.25 -1.26 -4.61 121.20 110.35 2dm1 s ILE 38 Ca -0.19 -2.01 0.00 0.00 -0.99 0.00 0.00 60.65 57.46 2dm1 s ILE 38 Cb 0.07 -2.08 0.00 0.00 2.95 0.00 0.00 42.46 43.41 2dm1 s ILE 38 CO 0.76 -0.14 0.00 0.61 -1.79 0.00 0.00 174.94 174.37 2dm1 n GLY 39 N 0.28 1.71 0.00 6.27 0.00 -1.26 -5.04 105.19 107.14 2dm1 n GLY 39 Ca -0.13 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2dm1 n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dm1 n GLY 40 N 0.00 0.69 1.83 -0.02 0.00 -1.26 -4.75 105.19 101.68 2dm1 n GLY 40 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 2dm1 n GLY 40 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dm1 n ASP 41 N 0.00 5.06 -2.56 1.61 2.03 -1.26 -4.71 116.55 116.72 2dm1 n ASP 41 Ca 0.00 -2.41 -0.08 0.00 0.52 0.00 0.00 54.79 52.82 2dm1 n ASP 41 Cb 0.00 -1.26 -0.02 0.00 -0.72 0.00 0.00 41.12 39.13 2dm1 n ASP 41 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 2dm1 n GLN 42 N 2.15 -2.16 0.06 -0.67 -0.06 -1.26 -4.23 117.38 111.21 2dm1 n GLN 42 Ca 0.26 0.03 0.00 0.00 -2.00 0.00 0.00 57.00 55.29 2dm1 n GLN 42 Cb 0.73 -3.66 0.00 0.00 -4.06 0.00 0.00 30.24 23.25 2dm1 n GLN 42 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2dm1 n GLY 43 N -0.54 -0.73 3.57 1.69 0.00 -1.26 -5.02 105.19 102.90 2dm1 n GLY 43 Ca 0.02 0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 2dm1 n GLY 43 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2dm1 n TRP 44 N -2.80 -0.05 -4.35 1.61 7.02 -1.26 -4.81 117.44 112.80 2dm1 n TRP 44 Ca 0.00 0.28 -0.24 0.00 -1.02 0.00 0.00 57.50 56.52 2dm1 n TRP 44 Cb 0.00 -1.89 -0.12 0.00 -2.42 0.00 0.00 31.31 26.88 2dm1 n TRP 44 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 2dm1 s TRP 45 N -2.54 1.97 -0.22 -5.99 0.51 -0.77 -4.68 118.94 107.22 2dm1 s TRP 45 Ca 0.64 -0.42 -0.05 0.00 -2.12 0.00 0.00 56.10 54.16 2dm1 s TRP 45 Cb -0.22 -1.02 -0.01 0.00 -0.81 0.00 0.00 33.47 31.41 2dm1 s TRP 45 CO 0.62 0.34 -0.02 0.21 -0.51 0.00 0.00 176.95 177.58 2dm1 s LYS 46 N -2.45 3.45 0.00 4.98 2.20 -1.14 -0.92 119.74 125.86 2dm1 s LYS 46 Ca 0.14 -0.59 0.00 0.00 -0.36 0.00 0.00 55.97 55.16 2dm1 s LYS 46 Cb -0.08 -3.07 0.00 0.00 -1.51 0.00 0.00 37.83 33.17 2dm1 s LYS 46 CO 0.07 -0.18 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 2dm1 n GLY 47 N 4.77 5.48 3.48 5.54 0.00 -1.19 0.14 105.19 123.42 2dm1 n GLY 47 Ca -0.18 -1.47 0.01 0.00 0.00 0.00 0.00 46.02 44.38 2dm1 n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dm1 s GLU 48 N 1.80 0.38 -0.01 1.61 2.12 -1.25 -3.64 118.70 119.71 2dm1 s GLU 48 Ca 0.00 0.96 -0.02 0.00 0.36 0.00 0.00 54.97 56.27 2dm1 s GLU 48 Cb 0.00 0.57 -0.00 0.00 0.26 0.00 0.00 34.13 34.96 2dm1 s GLU 48 CO 0.00 -0.13 0.04 -0.08 -0.54 0.00 0.00 175.26 174.55 2dm1 s THR 49 N 2.58 0.04 -1.53 -1.70 -1.32 -0.94 -4.08 115.64 108.68 2dm1 s THR 49 Ca -0.04 -0.33 0.00 0.00 -1.21 0.00 0.00 61.69 60.12 2dm1 s THR 49 Cb -0.08 -0.17 0.00 0.00 -1.51 0.00 0.00 72.50 70.74 2dm1 s THR 49 CO -0.18 -0.18 0.00 0.59 -2.21 0.00 0.00 174.62 172.64 2dm1 n ASN 50 N 2.47 -4.90 -1.64 8.08 3.02 -1.26 -1.31 115.26 119.72 2dm1 n ASN 50 Ca -0.17 0.15 -0.09 0.00 -0.03 0.00 0.00 54.58 54.44 2dm1 n ASN 50 Cb 0.58 -4.17 0.03 0.00 -0.61 0.00 0.00 39.78 35.60 2dm1 n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dm1 n GLY 51 N -0.79 0.33 2.79 7.41 0.00 -1.26 -5.04 105.19 108.63 2dm1 n GLY 51 Ca -0.20 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.27 2dm1 n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dm1 s ARG 52 N -5.40 0.57 -0.12 1.61 1.81 -0.43 -5.14 118.95 111.86 2dm1 s ARG 52 Ca 0.21 0.09 -0.04 0.00 -1.72 0.00 0.00 55.73 54.26 2dm1 s ARG 52 Cb -0.09 -0.88 -0.04 0.00 -0.45 0.00 0.00 34.95 33.50 2dm1 s ARG 52 CO 0.26 -0.25 0.04 0.42 -0.68 0.00 0.00 175.30 175.08 2dm1 s ILE 53 N 1.72 4.62 0.00 1.52 1.09 -1.26 -2.21 121.20 126.68 2dm1 s ILE 53 Ca 0.01 -0.12 0.00 0.00 -1.10 0.00 0.00 60.65 59.44 2dm1 s ILE 53 Cb -0.13 -3.00 0.00 0.00 -1.06 0.00 0.00 42.46 38.28 2dm1 s ILE 53 CO -0.04 0.57 0.00 0.61 -0.10 0.00 0.00 174.94 175.98 2dm1 n GLY 54 N 2.52 0.49 3.71 6.18 0.00 -1.24 -4.86 105.19 112.00 2dm1 n GLY 54 Ca -0.18 -0.98 -0.40 0.00 0.00 0.00 0.00 46.02 44.46 2dm1 n GLY 54 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dm1 s TRP 55 N -2.00 3.55 0.07 1.61 0.52 0.21 -3.15 118.94 119.75 2dm1 s TRP 55 Ca 0.00 1.20 0.04 0.00 0.02 0.00 0.00 56.10 57.36 2dm1 s TRP 55 Cb 0.00 -2.80 -0.03 0.00 -1.15 0.00 0.00 33.47 29.49 2dm1 s TRP 55 CO 0.00 0.05 -0.11 -0.59 0.02 0.00 0.00 176.95 176.32 2dm1 s PHE 56 N 0.95 1.03 0.59 -1.98 -0.71 -0.09 -1.61 117.98 116.16 2dm1 s PHE 56 Ca 0.36 -0.54 -0.17 0.00 -1.04 0.00 0.00 56.93 55.53 2dm1 s PHE 56 Cb -0.17 -0.58 -0.03 0.00 -1.21 0.00 0.00 43.02 41.03 2dm1 s PHE 56 CO 0.17 0.00 1.12 -1.25 -1.34 0.00 0.00 175.22 173.92 2dm1 s PRO 57 N -2.10 3.11 0.09 1.99 0.04 -1.26 -1.85 135.00 135.02 2dm1 s PRO 57 Ca -0.01 1.51 0.23 0.00 0.04 0.00 0.00 61.00 62.77 2dm1 s PRO 57 Cb -0.07 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 2dm1 s PRO 57 CO 0.01 -1.02 0.93 -1.13 0.04 0.00 0.00 177.00 175.82 2dm1 n SER 58 N -1.79 0.57 -0.02 6.66 3.41 -1.26 -4.19 113.62 117.00 2dm1 n SER 58 Ca 0.11 0.04 -0.17 0.00 -0.26 0.00 0.00 58.87 58.59 2dm1 n SER 58 Cb 0.51 0.90 -0.08 0.00 -0.26 0.00 0.00 64.21 65.28 2dm1 n SER 58 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2dm1 h THR 59 N 0.00 1.31 0.00 6.66 1.35 -1.98 -3.05 112.91 117.21 2dm1 h THR 59 Ca 0.00 -1.96 0.00 0.00 -0.55 0.00 0.00 66.41 63.90 2dm1 h THR 59 Cb 0.89 2.12 0.00 0.00 -1.73 0.00 0.00 68.15 69.42 2dm1 h THR 59 CO 0.00 0.61 0.00 1.88 -0.25 0.00 0.00 175.52 177.76 2dm1 h TYR 60 N 0.37 0.00 -0.46 4.73 -1.99 -1.96 -3.44 116.97 114.22 2dm1 h TYR 60 Ca -0.06 0.00 -0.63 0.00 2.00 0.00 0.00 58.73 60.05 2dm1 h TYR 60 Cb 1.35 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 40.00 2dm1 h TYR 60 CO 0.10 0.00 -0.40 0.14 -0.00 0.00 0.00 178.16 178.00 2dm1 s VAL 61 N -3.50 1.42 -0.09 -2.88 -7.23 -1.15 -1.61 120.40 105.35 2dm1 s VAL 61 Ca 0.01 -1.72 -0.02 0.00 -1.81 0.00 0.00 61.98 58.44 2dm1 s VAL 61 Cb 0.09 -2.15 0.03 0.00 0.56 0.00 0.00 36.38 34.91 2dm1 s VAL 61 CO 0.36 0.00 0.01 -0.70 -0.31 0.00 0.00 175.10 174.46 2dm1 s GLU 62 N -4.10 0.59 -0.39 4.82 2.12 0.36 -4.80 118.70 117.30 2dm1 s GLU 62 Ca 0.21 0.03 -0.28 0.00 0.36 0.00 0.00 54.97 55.28 2dm1 s GLU 62 Cb -0.01 -1.16 -0.00 0.00 0.26 0.00 0.00 34.13 33.22 2dm1 s GLU 62 CO 0.13 -0.36 1.60 -1.21 -0.54 0.00 0.00 175.26 174.88 2dm1 s GLU 63 N 1.96 3.42 -0.09 4.30 0.41 -1.26 -1.78 118.70 125.66 2dm1 s GLU 63 Ca 0.04 1.12 0.03 0.00 -0.41 0.00 0.00 54.97 55.76 2dm1 s GLU 63 Cb -0.13 -4.12 -0.01 0.00 -1.78 0.00 0.00 34.13 28.09 2dm1 s GLU 63 CO -0.06 -1.76 -0.19 -1.83 -0.49 0.00 0.00 175.26 170.93 2dm1 s GLU 64 N 5.37 2.95 0.11 1.61 -1.05 -1.15 -5.01 118.70 121.53 2dm1 s GLU 64 Ca 0.69 -0.80 0.00 0.00 -0.15 0.00 0.00 54.97 54.72 2dm1 s GLU 64 Cb -0.17 -2.38 0.00 0.00 -0.44 0.00 0.00 34.13 31.13 2dm1 s GLU 64 CO 0.32 0.31 0.00 0.41 0.95 0.00 0.00 175.26 177.25 2dm1 n GLY 65 N 3.20 -0.07 3.46 -3.83 0.00 -1.26 -4.52 105.19 102.17 2dm1 n GLY 65 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 2dm1 n GLY 65 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2dm1 n ILE 66 N -3.44 0.00 -4.31 -0.61 -6.64 -1.26 -5.04 119.36 98.06 2dm1 n ILE 66 Ca 0.00 -0.29 -0.21 0.00 -1.77 0.00 0.00 62.75 60.48 2dm1 n ILE 66 Cb 0.04 -0.85 -0.11 0.00 -1.44 0.00 0.00 39.64 37.28 2dm1 n ILE 66 CO 0.00 0.00 0.00 -1.58 -1.77 0.00 0.00 176.55 173.20 2dm1 s GLN 67 N -4.12 1.22 -0.19 6.28 0.74 -1.26 -5.15 119.66 117.18 2dm1 s GLN 67 Ca 0.64 -1.36 -0.15 0.00 0.05 0.00 0.00 55.36 54.54 2dm1 s GLN 67 Cb -0.21 -1.26 0.06 0.00 1.10 0.00 0.00 33.01 32.69 2dm1 s GLN 67 CO 0.64 0.26 0.50 -1.12 -0.55 0.00 0.00 175.29 175.02 2dm1 s SER 68 N -2.57 -0.58 0.00 6.67 0.01 -1.26 -5.15 113.70 110.83 2dm1 s SER 68 Ca 0.14 1.04 0.00 0.00 1.31 0.00 0.00 55.95 58.44 2dm1 s SER 68 Cb -0.06 1.00 0.00 0.00 0.21 0.00 0.00 66.02 67.17 2dm1 s SER 68 CO 0.06 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.13 2dm1 n GLY 69 N 3.41 -0.46 3.74 3.44 0.00 -1.26 -5.15 105.19 108.92 2dm1 n GLY 69 Ca -0.17 -1.08 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 2dm1 n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dm1 s PRO 70 N -2.00 1.69 -0.07 1.61 0.04 -1.26 -5.07 135.00 129.94 2dm1 s PRO 70 Ca 0.00 0.98 -0.03 0.00 0.04 0.00 0.00 61.00 61.99 2dm1 s PRO 70 Cb 0.00 -1.85 0.04 0.00 0.04 0.00 0.00 34.50 32.74 2dm1 s PRO 70 CO 0.00 -1.98 0.15 0.45 0.04 0.00 0.00 177.00 175.66 2dm1 s SER 71 N -3.40 0.24 -0.38 6.66 0.15 -1.26 -5.12 113.70 110.59 2dm1 s SER 71 Ca 0.62 0.32 -0.04 0.00 0.70 0.00 0.00 55.95 57.56 2dm1 s SER 71 Cb -0.18 0.23 0.09 0.00 -1.71 0.00 0.00 66.02 64.45 2dm1 s SER 71 CO 0.57 -0.19 0.16 -0.44 1.20 0.00 0.00 173.24 174.54 2dm1 s SER 72 N 1.64 5.23 0.00 5.45 0.01 -1.26 -5.35 113.70 119.41 2dm1 s SER 72 Ca -0.04 -1.73 0.00 0.00 1.31 0.00 0.00 55.95 55.49 2dm1 s SER 72 Cb -0.12 -1.83 0.00 0.00 0.21 0.00 0.00 66.02 64.29 2dm1 s SER 72 CO -0.06 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 173.74