#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dm1 n SER 2 N 0.00 -5.50 -3.95 1.61 2.88 -1.26 -5.00 113.62 102.40 2dm1 n SER 2 Ca 0.00 0.25 -0.17 0.00 -1.33 0.00 0.00 58.87 57.62 2dm1 n SER 2 Cb 0.00 -0.80 -0.15 0.00 -0.75 0.00 0.00 64.21 62.51 2dm1 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dm1 s SER 3 N -1.07 0.72 -1.24 -3.46 1.04 -1.26 -4.86 113.70 103.57 2dm1 s SER 3 Ca 0.43 -0.11 -0.00 0.00 0.48 0.00 0.00 55.95 56.75 2dm1 s SER 3 Cb -0.22 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.77 2dm1 s SER 3 CO 0.80 0.05 0.91 0.61 0.98 0.00 0.00 173.24 176.59 2dm1 n GLY 4 N 3.13 -0.34 3.48 7.32 0.00 -1.26 -5.00 105.19 112.51 2dm1 n GLY 4 Ca -0.15 0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 2dm1 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dm1 s SER 5 N -4.32 -0.62 -0.25 1.61 0.15 -1.26 -5.18 113.70 103.83 2dm1 s SER 5 Ca 0.02 0.39 -0.28 0.00 0.70 0.00 0.00 55.95 56.79 2dm1 s SER 5 Cb -0.01 0.57 0.16 0.00 -1.71 0.00 0.00 66.02 65.02 2dm1 s SER 5 CO 0.76 -0.77 1.21 -0.55 1.20 0.00 0.00 173.24 175.09 2dm1 s SER 6 N -1.90 -0.21 0.00 5.45 0.15 -1.26 -5.07 113.70 110.86 2dm1 s SER 6 Ca -0.06 0.30 0.00 0.00 0.70 0.00 0.00 55.95 56.89 2dm1 s SER 6 Cb -0.00 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 2dm1 s SER 6 CO -0.00 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 174.90 2dm1 n GLY 7 N 1.07 -0.14 2.70 9.45 0.00 -1.26 -5.07 105.19 111.94 2dm1 n GLY 7 Ca -0.07 -0.31 -0.07 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.46 1.38 3.00 -0.02 0.00 -1.26 -5.01 105.19 102.82 2dm1 n GLY 8 Ca 0.00 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.05 0.24 0.30 2.61 -4.23 -1.26 -2.97 115.64 110.27 2dm1 s THR 9 Ca 0.22 -0.87 0.11 0.00 -1.18 0.00 0.00 61.69 59.96 2dm1 s THR 9 Cb 0.41 -0.35 -0.05 0.00 1.34 0.00 0.00 72.50 73.85 2dm1 s THR 9 CO -0.08 -0.41 -0.14 0.00 -0.54 0.00 0.00 174.62 173.45 2dm1 s ALA 10 N -1.29 2.88 -0.08 3.99 0.00 -0.66 -0.00 121.76 126.59 2dm1 s ALA 10 Ca -0.13 -1.92 0.03 0.00 0.00 0.00 0.00 51.96 49.94 2dm1 s ALA 10 Cb -0.09 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.78 2dm1 s ALA 10 CO -0.01 0.21 -0.19 0.54 0.00 0.00 0.00 175.76 176.31 2dm1 s VAL 11 N -2.52 1.65 -0.46 0.00 0.11 0.48 -1.32 120.40 118.33 2dm1 s VAL 11 Ca 0.31 -0.79 -0.27 0.00 -2.93 0.00 0.00 61.98 58.30 2dm1 s VAL 11 Cb -0.03 -1.45 -0.08 0.00 -1.53 0.00 0.00 36.38 33.29 2dm1 s VAL 11 CO 0.16 0.47 2.38 0.00 -3.33 0.00 0.00 175.10 174.79 2dm1 n ALA 12 N 3.58 0.98 0.08 1.54 0.00 -0.17 -0.86 120.51 125.67 2dm1 n ALA 12 Ca -0.20 -0.68 -0.03 0.00 0.00 0.00 0.00 53.44 52.52 2dm1 n ALA 12 Cb 0.52 -3.03 -0.07 0.00 0.00 0.00 0.00 19.45 16.88 2dm1 n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dm1 h ARG 13 N 17.58 0.00 -3.85 0.00 2.47 -1.81 -1.37 114.38 127.41 2dm1 h ARG 13 Ca -0.26 0.00 -0.20 0.00 -1.26 0.00 0.00 59.98 58.26 2dm1 h ARG 13 Cb 1.27 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 29.34 2dm1 h ARG 13 CO 1.13 0.75 -0.71 0.71 0.56 0.00 0.00 179.97 182.40 2dm1 s TYR 14 N -2.81 0.12 0.12 3.04 2.02 -1.12 -4.88 117.35 113.85 2dm1 s TYR 14 Ca 0.02 -0.25 -0.31 0.00 -0.37 0.00 0.00 57.07 56.15 2dm1 s TYR 14 Cb 0.09 -0.09 -0.09 0.00 -0.40 0.00 0.00 41.96 41.46 2dm1 s TYR 14 CO 0.79 -0.09 1.66 0.54 -1.57 0.00 0.00 175.55 176.88 2dm1 s ASN 15 N -0.71 6.55 -0.12 2.29 4.22 -1.26 -4.57 114.94 121.34 2dm1 s ASN 15 Ca -0.08 2.60 -0.03 0.00 -2.14 0.00 0.00 52.86 53.22 2dm1 s ASN 15 Cb -0.05 -2.58 0.04 0.00 1.28 0.00 0.00 41.25 39.95 2dm1 s ASN 15 CO -0.00 -0.89 0.04 0.12 -2.04 0.00 0.00 177.10 174.32 2dm1 s PHE 16 N 2.04 0.53 -0.18 1.54 5.36 0.33 -5.01 117.98 122.59 2dm1 s PHE 16 Ca 0.74 -0.28 -0.23 0.00 -0.96 0.00 0.00 56.93 56.19 2dm1 s PHE 16 Cb -0.43 -0.77 -0.02 0.00 -0.34 0.00 0.00 43.02 41.46 2dm1 s PHE 16 CO 0.33 -0.41 0.75 0.00 -1.46 0.00 0.00 175.22 174.43 2dm1 s ALA 17 N 2.02 3.53 -0.11 11.12 0.00 -1.26 -0.40 121.76 136.66 2dm1 s ALA 17 Ca 0.03 -0.09 -0.29 0.00 0.00 0.00 0.00 51.96 51.61 2dm1 s ALA 17 Cb -0.14 -3.13 -0.06 0.00 0.00 0.00 0.00 23.12 19.79 2dm1 s ALA 17 CO -0.06 -0.62 1.97 0.00 0.00 0.00 0.00 175.76 177.05 2dm1 s ALA 18 N 2.08 3.23 0.03 0.00 0.00 -1.26 -4.88 121.76 120.95 2dm1 s ALA 18 Ca 0.34 0.95 -0.23 0.00 0.00 0.00 0.00 51.96 53.02 2dm1 s ALA 18 Cb -0.16 -3.92 -0.16 0.00 0.00 0.00 0.00 23.12 18.87 2dm1 s ALA 18 CO 0.11 -2.06 1.44 0.00 0.00 0.00 0.00 175.76 175.25 2dm1 h ARG 19 N 12.13 0.11 -6.19 0.00 2.47 -1.94 -3.45 114.38 117.50 2dm1 h ARG 19 Ca -0.43 -0.04 -0.54 0.00 -1.26 0.00 0.00 59.98 57.71 2dm1 h ARG 19 Cb 1.22 -0.01 -0.08 0.00 -1.65 0.00 0.00 29.97 29.45 2dm1 h ARG 19 CO 0.96 0.41 -0.60 0.34 0.56 0.00 0.00 179.97 181.63 2dm1 s ASP 20 N -5.64 4.83 0.11 7.04 2.15 -1.26 -5.04 116.67 118.85 2dm1 s ASP 20 Ca -0.15 -0.55 -0.23 0.00 0.43 0.00 0.00 52.55 52.05 2dm1 s ASP 20 Cb 0.04 -0.99 -0.10 0.00 -0.30 0.00 0.00 42.92 41.58 2dm1 s ASP 20 CO 0.69 -0.04 1.70 0.00 -0.17 0.00 0.00 175.17 177.36 2dm1 h MET 21 N 1.75 -0.13 -1.16 4.34 -0.00 -2.02 -1.88 114.93 115.82 2dm1 h MET 21 Ca -0.45 0.01 0.33 0.00 -0.00 0.00 0.00 59.70 59.58 2dm1 h MET 21 Cb 1.25 0.03 -0.09 0.00 -0.00 0.00 0.00 31.60 32.79 2dm1 h MET 21 CO 0.61 -0.09 0.77 0.00 -0.00 0.00 0.00 176.91 178.20 2dm1 h ARG 22 N -0.14 0.22 -7.38 -0.10 3.08 -1.96 -3.41 114.38 104.70 2dm1 h ARG 22 Ca 0.04 -0.01 -0.41 0.00 0.07 0.00 0.00 59.98 59.66 2dm1 h ARG 22 Cb 0.18 -0.05 0.19 0.00 0.08 0.00 0.00 29.97 30.37 2dm1 h ARG 22 CO -0.09 0.15 0.12 -1.21 -1.07 0.00 0.00 179.97 177.87 2dm1 s GLU 23 N -5.32 -1.28 -0.06 0.04 2.02 -0.71 -0.28 118.70 113.11 2dm1 s GLU 23 Ca -0.08 -0.05 0.00 0.00 0.02 0.00 0.00 54.97 54.87 2dm1 s GLU 23 Cb 0.26 -1.59 0.02 0.00 0.10 0.00 0.00 34.13 32.92 2dm1 s GLU 23 CO 0.81 -3.75 -0.03 -1.17 0.02 0.00 0.00 175.26 171.13 2dm1 s LEU 24 N -6.97 1.07 0.33 1.80 2.96 0.04 -4.23 118.68 113.67 2dm1 s LEU 24 Ca 0.71 -0.13 -0.29 0.00 -0.22 0.00 0.00 54.13 54.20 2dm1 s LEU 24 Cb -0.10 -0.48 -0.10 0.00 0.50 0.00 0.00 46.19 46.01 2dm1 s LEU 24 CO 0.56 -0.11 1.27 -0.94 -1.32 0.00 0.00 176.35 175.82 2dm1 s SER 25 N 1.33 6.82 -0.09 3.68 1.04 -1.26 -4.54 113.70 120.68 2dm1 s SER 25 Ca -0.04 2.61 0.04 0.00 0.48 0.00 0.00 55.95 59.03 2dm1 s SER 25 Cb -0.13 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.34 2dm1 s SER 25 CO -0.02 -0.49 -0.21 -0.76 0.98 0.00 0.00 173.24 172.74 2dm1 s LEU 26 N -1.79 1.97 -0.05 2.42 1.43 0.46 -4.94 118.68 118.18 2dm1 s LEU 26 Ca 0.49 -0.48 0.06 0.00 -1.03 0.00 0.00 54.13 53.17 2dm1 s LEU 26 Cb -0.38 -1.24 -0.01 0.00 0.03 0.00 0.00 46.19 44.58 2dm1 s LEU 26 CO 0.50 0.13 -0.24 -0.60 0.23 0.00 0.00 176.35 176.37 2dm1 s ARG 27 N 0.41 2.32 -0.49 1.70 6.06 -1.26 -0.51 118.95 127.18 2dm1 s ARG 27 Ca -0.17 -0.86 -0.45 0.00 -2.50 0.00 0.00 55.73 51.75 2dm1 s ARG 27 Cb -0.17 -2.03 -0.19 0.00 0.06 0.00 0.00 34.95 32.62 2dm1 s ARG 27 CO 0.07 0.39 1.92 0.39 -2.50 0.00 0.00 175.30 175.58 2dm1 n GLU 28 N 2.87 0.00 0.00 5.12 1.02 -1.26 0.67 120.64 129.06 2dm1 n GLU 28 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 2dm1 n GLU 28 Cb 0.52 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 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 6.16 3.10 3.55 0.62 0.00 -0.51 -4.98 105.19 113.13 2dm1 n GLY 29 Ca 0.46 -0.97 -0.54 0.00 0.00 0.00 0.00 46.02 44.96 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 0.66 0.98 -4.65 1.61 9.92 0.21 -4.45 116.55 120.83 2dm1 n ASP 30 Ca 0.00 1.14 -0.36 0.00 -0.53 0.00 0.00 54.79 55.03 2dm1 n ASP 30 Cb 0.00 -1.09 -0.10 0.00 -0.64 0.00 0.00 41.12 39.29 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 0.25 5.30 -0.11 2.53 1.01 -1.26 -1.00 120.40 127.12 2dm1 s VAL 31 Ca 0.86 0.16 -0.02 0.00 0.00 0.00 0.00 61.98 62.98 2dm1 s VAL 31 Cb -1.07 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 31.81 2dm1 s VAL 31 CO 0.51 0.35 -0.02 -0.69 0.00 0.00 0.00 175.10 175.24 2dm1 s VAL 32 N 1.08 4.07 -0.57 2.92 1.01 -0.44 -4.59 120.40 123.88 2dm1 s VAL 32 Ca 0.07 -0.32 -0.19 0.00 0.00 0.00 0.00 61.98 61.54 2dm1 s VAL 32 Cb -0.14 -2.73 0.09 0.00 0.00 0.00 0.00 36.38 33.61 2dm1 s VAL 32 CO 0.05 0.56 0.69 -0.13 0.00 0.00 0.00 175.10 176.27 2dm1 s ARG 33 N -0.44 3.07 -0.53 2.72 0.52 -1.22 -1.65 118.95 121.41 2dm1 s ARG 33 Ca 0.07 -1.18 -0.26 0.00 -0.52 0.00 0.00 55.73 53.85 2dm1 s ARG 33 Cb -0.12 -4.22 -0.08 0.00 0.52 0.00 0.00 34.95 31.05 2dm1 s ARG 33 CO 0.02 -1.46 2.42 -0.89 0.02 0.00 0.00 175.30 175.42 2dm1 n ILE 34 N 5.58 -0.08 -0.07 1.52 5.41 -1.16 -4.03 119.36 126.53 2dm1 n ILE 34 Ca -0.08 -0.76 -0.15 0.00 1.00 0.00 0.00 62.75 62.76 2dm1 n ILE 34 Cb 0.43 -2.68 -0.12 0.00 -0.71 0.00 0.00 39.64 36.56 2dm1 n ILE 34 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 2dm1 h TYR 35 N 18.77 0.00 -3.35 1.39 0.05 -0.74 -3.47 116.97 129.62 2dm1 h TYR 35 Ca -0.21 0.00 -0.65 0.00 0.05 0.00 0.00 58.73 57.92 2dm1 h TYR 35 Cb 1.24 0.00 -0.17 0.00 1.01 0.00 0.00 36.73 38.82 2dm1 h TYR 35 CO 0.99 1.04 -0.77 -1.12 -1.05 0.00 0.00 178.16 177.25 2dm1 s SER 36 N -6.29 4.03 -0.05 3.88 0.01 -1.10 -4.99 113.70 109.19 2dm1 s SER 36 Ca -0.20 -0.59 0.03 0.00 1.31 0.00 0.00 55.95 56.51 2dm1 s SER 36 Cb -0.02 -0.61 -0.05 0.00 0.21 0.00 0.00 66.02 65.55 2dm1 s SER 36 CO 0.66 0.14 0.00 0.54 0.41 0.00 0.00 173.24 174.99 2dm1 n ARG 37 N 0.42 2.66 -3.81 12.44 1.74 -1.26 -3.49 116.66 125.36 2dm1 n ARG 37 Ca -0.13 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.59 2dm1 n ARG 37 Cb 0.54 -1.12 -0.12 0.00 -1.02 0.00 0.00 32.46 30.74 2dm1 n ARG 37 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2dm1 s ILE 38 N -2.11 3.29 -1.74 0.55 -1.09 -1.26 -4.85 121.20 113.98 2dm1 s ILE 38 Ca -0.03 -1.73 0.00 0.00 -2.23 0.00 0.00 60.65 56.66 2dm1 s ILE 38 Cb 0.01 -3.10 0.00 0.00 -1.58 0.00 0.00 42.46 37.80 2dm1 s ILE 38 CO 0.18 -0.45 0.00 0.61 -1.23 0.00 0.00 174.94 174.04 2dm1 n GLY 39 N 4.64 -0.68 5.00 6.18 0.00 -1.26 -5.11 105.19 113.96 2dm1 n GLY 39 Ca -0.07 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 0.65 2.74 -0.02 0.00 -1.26 -4.58 105.19 102.72 2dm1 n GLY 40 Ca 0.00 -0.39 -0.20 0.00 0.00 0.00 0.00 46.02 45.43 2dm1 n GLY 40 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dm1 n ASP 41 N -2.64 0.27 -4.55 1.61 8.00 -1.26 -4.89 116.55 113.09 2dm1 n ASP 41 Ca 0.00 -1.45 -0.37 0.00 0.71 0.00 0.00 54.79 53.68 2dm1 n ASP 41 Cb 0.00 -0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 40.41 2dm1 n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2dm1 s GLN 42 N -4.89 2.40 0.00 -1.24 -2.07 -1.26 -2.00 119.66 110.60 2dm1 s GLN 42 Ca 0.52 0.88 0.00 0.00 -1.82 0.00 0.00 55.36 54.94 2dm1 s GLN 42 Cb -0.02 -4.49 0.00 0.00 -1.09 0.00 0.00 33.01 27.41 2dm1 s GLN 42 CO 0.36 -2.99 0.00 0.41 -1.32 0.00 0.00 175.29 171.75 2dm1 n GLY 43 N 5.87 1.26 3.35 2.60 0.00 -1.26 -5.10 105.19 111.91 2dm1 n GLY 43 Ca 0.27 -0.33 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 2dm1 n GLY 43 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dm1 s TRP 44 N -2.10 2.08 0.30 1.61 0.52 -0.85 -3.74 118.94 116.78 2dm1 s TRP 44 Ca 0.00 -0.40 0.04 0.00 0.02 0.00 0.00 56.10 55.76 2dm1 s TRP 44 Cb 0.00 -1.12 -0.06 0.00 -1.15 0.00 0.00 33.47 31.14 2dm1 s TRP 44 CO 0.00 0.30 0.05 -1.58 0.02 0.00 0.00 176.95 175.73 2dm1 s TRP 45 N -1.18 1.88 -0.22 -1.98 0.51 0.56 -4.43 118.94 114.09 2dm1 s TRP 45 Ca 0.11 -0.95 -0.03 0.00 -2.12 0.00 0.00 56.10 53.11 2dm1 s TRP 45 Cb -0.10 -1.19 0.00 0.00 -0.81 0.00 0.00 33.47 31.37 2dm1 s TRP 45 CO 0.06 -0.01 -0.07 0.21 -0.51 0.00 0.00 176.95 176.63 2dm1 s LYS 46 N -3.89 3.19 0.00 4.98 2.20 -1.23 -0.05 119.74 124.95 2dm1 s LYS 46 Ca 0.35 -0.74 0.00 0.00 -0.36 0.00 0.00 55.97 55.22 2dm1 s LYS 46 Cb 0.08 -2.95 0.00 0.00 -1.51 0.00 0.00 37.83 33.45 2dm1 s LYS 46 CO 0.14 -0.25 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 2dm1 n GLY 47 N 4.75 5.44 3.63 5.54 0.00 -1.00 0.01 105.19 123.55 2dm1 n GLY 47 Ca -0.18 -1.32 -0.07 0.00 0.00 0.00 0.00 46.02 44.45 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 1.76 0.36 -0.29 1.61 2.12 -1.26 -3.11 118.70 119.90 2dm1 s GLU 48 Ca 0.00 0.29 -0.18 0.00 0.36 0.00 0.00 54.97 55.44 2dm1 s GLU 48 Cb 0.00 0.17 0.13 0.00 0.26 0.00 0.00 34.13 34.70 2dm1 s GLU 48 CO 0.00 -0.07 0.96 -0.08 -0.54 0.00 0.00 175.26 175.53 2dm1 s THR 49 N -0.27 0.00 -0.68 -1.70 -1.32 -0.67 -3.43 115.64 107.56 2dm1 s THR 49 Ca 0.04 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.48 2dm1 s THR 49 Cb -0.03 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.96 2dm1 s THR 49 CO -0.07 0.00 0.46 -3.20 -2.21 0.00 0.00 174.62 169.60 2dm1 n ASN 50 N 3.40 -3.95 -1.99 8.08 2.85 -1.26 -3.00 115.26 119.39 2dm1 n ASN 50 Ca -0.17 -0.21 -0.16 0.00 -0.11 0.00 0.00 54.58 53.92 2dm1 n ASN 50 Cb 0.57 -2.64 0.00 0.00 1.24 0.00 0.00 39.78 38.96 2dm1 n ASN 50 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2dm1 n GLY 51 N -1.18 -0.28 2.87 8.20 0.00 -1.26 -5.00 105.19 108.53 2dm1 n GLY 51 Ca -0.02 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 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 -4.98 1.14 -0.14 1.61 1.81 -1.16 -5.13 118.95 112.10 2dm1 s ARG 52 Ca 0.07 -0.12 -0.02 0.00 -1.72 0.00 0.00 55.73 53.93 2dm1 s ARG 52 Cb -0.03 -1.28 -0.02 0.00 -0.45 0.00 0.00 34.95 33.17 2dm1 s ARG 52 CO 0.08 -0.24 -0.09 0.42 -0.68 0.00 0.00 175.30 174.80 2dm1 s ILE 53 N 1.64 3.43 0.00 1.52 1.01 -1.26 -1.68 121.20 125.86 2dm1 s ILE 53 Ca 0.02 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.14 2dm1 s ILE 53 Cb -0.13 -2.47 0.00 0.00 0.01 0.00 0.00 42.46 39.87 2dm1 s ILE 53 CO -0.05 0.51 0.00 0.61 0.00 0.00 0.00 174.94 176.00 2dm1 n GLY 54 N 3.57 1.12 3.72 6.18 0.00 -1.18 -4.95 105.19 113.65 2dm1 n GLY 54 Ca -0.18 -0.68 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.56 3.38 0.06 1.61 0.52 0.61 -2.39 118.94 120.18 2dm1 s TRP 55 Ca 0.00 0.27 0.04 0.00 0.02 0.00 0.00 56.10 56.43 2dm1 s TRP 55 Cb 0.00 -2.10 -0.03 0.00 -1.15 0.00 0.00 33.47 30.20 2dm1 s TRP 55 CO 0.00 0.31 -0.12 -0.59 0.02 0.00 0.00 176.95 176.57 2dm1 s PHE 56 N 0.15 1.03 0.77 -1.98 -0.71 0.93 -0.78 117.98 117.39 2dm1 s PHE 56 Ca 0.07 -0.47 -0.13 0.00 -1.04 0.00 0.00 56.93 55.36 2dm1 s PHE 56 Cb -0.12 -0.59 0.19 0.00 -1.21 0.00 0.00 43.02 41.30 2dm1 s PHE 56 CO -0.01 0.01 0.68 -0.35 -1.34 0.00 0.00 175.22 174.22 2dm1 n PRO 57 N 1.35 -2.35 0.00 1.99 -0.04 -1.26 -0.32 135.00 134.37 2dm1 n PRO 57 Ca -0.22 -1.09 0.00 0.00 -0.04 0.00 0.00 63.50 62.15 2dm1 n PRO 57 Cb 0.54 -1.02 0.00 0.00 -0.04 0.00 0.00 33.50 32.98 2dm1 n PRO 57 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dm1 n SER 58 N -4.17 3.97 0.12 3.54 3.41 -1.24 -4.62 113.62 114.63 2dm1 n SER 58 Ca 0.09 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2dm1 n SER 58 Cb 0.37 0.67 0.07 0.00 -0.26 0.00 0.00 64.21 65.07 2dm1 n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2dm1 h THR 59 N 0.00 1.24 0.00 6.66 1.03 -1.96 -3.09 112.91 116.79 2dm1 h THR 59 Ca 0.00 -2.43 0.00 0.00 -0.01 0.00 0.00 66.41 63.97 2dm1 h THR 59 Cb 0.24 2.40 0.00 0.00 -1.07 0.00 0.00 68.15 69.72 2dm1 h THR 59 CO 0.00 0.64 -0.11 1.88 -0.01 0.00 0.00 175.52 177.92 2dm1 h TYR 60 N 0.00 0.00 -1.91 0.00 -1.99 -1.95 -3.46 116.97 107.66 2dm1 h TYR 60 Ca -0.01 0.00 -0.61 0.00 2.00 0.00 0.00 58.73 60.11 2dm1 h TYR 60 Cb 1.35 0.00 -0.13 0.00 2.00 0.00 0.00 36.73 39.95 2dm1 h TYR 60 CO 0.00 0.00 -0.66 0.14 -0.00 0.00 0.00 178.16 177.64 2dm1 s VAL 61 N -3.13 2.30 -0.21 -2.88 -7.23 -1.17 -2.48 120.40 105.61 2dm1 s VAL 61 Ca 0.09 -2.14 -0.02 0.00 -1.81 0.00 0.00 61.98 58.10 2dm1 s VAL 61 Cb 0.11 -2.70 0.00 0.00 0.56 0.00 0.00 36.38 34.35 2dm1 s VAL 61 CO 0.63 -0.19 -0.10 -0.70 -0.31 0.00 0.00 175.10 174.43 2dm1 s GLU 62 N -3.64 3.22 -0.50 4.82 -6.30 -0.04 -4.84 118.70 111.42 2dm1 s GLU 62 Ca 0.33 -0.71 -0.28 0.00 -2.50 0.00 0.00 54.97 51.82 2dm1 s GLU 62 Cb 0.02 -2.84 -0.01 0.00 0.00 0.00 0.00 34.13 31.30 2dm1 s GLU 62 CO 0.17 -0.21 1.70 -1.21 0.02 0.00 0.00 175.26 175.74 2dm1 s GLU 63 N 1.40 3.07 0.09 4.30 8.01 -1.26 -0.39 118.70 133.92 2dm1 s GLU 63 Ca 0.05 0.84 -0.31 0.00 0.01 0.00 0.00 54.97 55.57 2dm1 s GLU 63 Cb -0.14 -4.24 -0.09 0.00 -4.31 0.00 0.00 34.13 25.36 2dm1 s GLU 63 CO -0.07 -2.19 1.61 -1.21 0.01 0.00 0.00 175.26 173.41 2dm1 s GLU 64 N 6.10 4.21 0.00 1.61 2.02 1.00 -4.22 118.70 129.42 2dm1 s GLU 64 Ca 0.67 2.31 0.00 0.00 0.02 0.00 0.00 54.97 57.97 2dm1 s GLU 64 Cb -0.15 -3.49 0.00 0.00 0.10 0.00 0.00 34.13 30.59 2dm1 s GLU 64 CO 0.26 -0.69 0.00 0.41 0.02 0.00 0.00 175.26 175.27 2dm1 n GLY 65 N 3.90 0.65 3.76 -1.39 0.00 -1.26 -4.38 105.19 106.46 2dm1 n GLY 65 Ca 0.15 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 45.10 2dm1 n GLY 65 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2dm1 s ILE 66 N -0.85 3.84 -0.03 -0.61 -4.36 -1.26 -5.05 121.20 112.87 2dm1 s ILE 66 Ca 0.00 1.81 0.01 0.00 -0.26 0.00 0.00 60.65 62.21 2dm1 s ILE 66 Cb 0.00 -4.14 -0.03 0.00 1.25 0.00 0.00 42.46 39.54 2dm1 s ILE 66 CO 0.00 0.40 -0.01 -1.10 0.24 0.00 0.00 174.94 174.47 2dm1 s GLN 67 N -1.40 2.81 -0.28 0.37 -1.52 -1.26 -5.10 119.66 113.29 2dm1 s GLN 67 Ca 0.44 -0.56 -0.03 0.00 -1.95 0.00 0.00 55.36 53.26 2dm1 s GLN 67 Cb -0.28 -2.68 0.03 0.00 -0.22 0.00 0.00 33.01 29.87 2dm1 s GLN 67 CO 0.35 0.65 -0.01 -1.12 -0.25 0.00 0.00 175.29 174.90 2dm1 s SER 68 N -1.30 4.69 0.00 5.90 0.01 -1.26 -5.01 113.70 116.72 2dm1 s SER 68 Ca 0.17 -1.02 0.00 0.00 1.31 0.00 0.00 55.95 56.41 2dm1 s SER 68 Cb -0.11 -1.72 0.00 0.00 0.21 0.00 0.00 66.02 64.40 2dm1 s SER 68 CO 0.07 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.13 2dm1 n GLY 69 N 4.68 0.41 3.76 3.44 0.00 -1.26 -4.32 105.19 111.91 2dm1 n GLY 69 Ca -0.15 0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 4.45 -0.37 1.61 0.04 -1.26 -4.99 135.00 134.48 2dm1 s PRO 70 Ca 0.00 2.05 -0.22 0.00 0.04 0.00 0.00 61.00 62.87 2dm1 s PRO 70 Cb 0.00 -3.14 0.01 0.00 0.04 0.00 0.00 34.50 31.41 2dm1 s PRO 70 CO 0.00 -0.09 0.73 0.45 0.04 0.00 0.00 177.00 178.13 2dm1 s SER 71 N -0.38 6.50 -0.28 6.66 0.15 -1.26 -5.03 113.70 120.06 2dm1 s SER 71 Ca 0.50 0.24 -0.03 0.00 0.70 0.00 0.00 55.95 57.36 2dm1 s SER 71 Cb -0.37 -2.37 0.03 0.00 -1.71 0.00 0.00 66.02 61.60 2dm1 s SER 71 CO 0.46 -0.70 -0.01 -0.55 1.20 0.00 0.00 173.24 173.64 2dm1 s SER 72 N 1.84 4.67 0.00 5.45 0.15 -1.26 -5.16 113.70 119.39 2dm1 s SER 72 Ca 0.29 -0.98 0.00 0.00 0.70 0.00 0.00 55.95 55.95 2dm1 s SER 72 Cb -0.14 -1.72 0.00 0.00 -1.71 0.00 0.00 66.02 62.45 2dm1 s SER 72 CO 0.17 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.03