#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dzm h SER 2 N 0.00 0.03 -0.48 1.61 0.87 -2.09 -3.42 113.55 110.07 2dzm h SER 2 Ca 0.00 -0.77 -0.14 0.00 -1.23 0.00 0.00 61.79 59.65 2dzm h SER 2 Cb 0.00 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 2dzm h SER 2 CO 0.00 1.27 0.37 -0.44 -0.53 0.00 0.00 176.83 177.50 2dzm s SER 3 N -6.57 4.41 -0.11 6.23 0.01 -1.26 -4.92 113.70 111.49 2dzm s SER 3 Ca -0.23 -0.44 -0.05 0.00 1.31 0.00 0.00 55.95 56.53 2dzm s SER 3 Cb 0.02 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.65 2dzm s SER 3 CO 0.65 -3.46 0.07 -0.83 0.41 0.00 0.00 173.24 170.08 2dzm s GLY 4 N 9.26 2.00 -0.16 3.44 0.00 -1.26 -5.00 107.32 115.59 2dzm s GLY 4 Ca 0.81 -0.72 -0.08 0.00 0.00 0.00 0.00 44.72 44.73 2dzm s GLY 4 CO 0.06 -0.41 -0.21 1.44 0.00 0.00 0.00 173.10 173.98 2dzm n SER 5 N 2.22 1.16 -3.91 1.64 7.64 -1.26 -4.92 113.62 116.19 2dzm n SER 5 Ca -0.19 0.19 -0.30 0.00 1.01 0.00 0.00 58.87 59.58 2dzm n SER 5 Cb 0.54 -0.47 -0.15 0.00 -1.01 0.00 0.00 64.21 63.12 2dzm n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dzm s SER 6 N -6.45 4.40 0.08 6.43 0.01 -1.26 -5.10 113.70 111.82 2dzm s SER 6 Ca -0.23 -2.24 0.01 0.00 1.31 0.00 0.00 55.95 54.80 2dzm s SER 6 Cb 0.09 -1.39 -0.04 0.00 0.21 0.00 0.00 66.02 64.88 2dzm s SER 6 CO 0.29 -0.35 -0.05 -0.83 0.41 0.00 0.00 173.24 172.70 2dzm s GLY 7 N 0.79 0.66 -0.00 3.44 0.00 -1.26 -5.11 107.32 105.84 2dzm s GLY 7 Ca 0.13 -1.30 -0.00 0.00 0.00 0.00 0.00 44.72 43.54 2dzm s GLY 7 CO -0.10 -1.41 0.00 1.09 0.00 0.00 0.00 173.10 172.69 2dzm s ARG 8 N -3.86 0.00 0.22 2.90 1.70 -1.26 -5.11 118.95 113.54 2dzm s ARG 8 Ca 0.10 0.01 -0.29 0.00 -0.47 0.00 0.00 55.73 55.08 2dzm s ARG 8 Cb 0.06 -0.01 -0.09 0.00 -0.57 0.00 0.00 34.95 34.35 2dzm s ARG 8 CO -0.07 -0.01 0.92 -1.64 -1.08 0.00 0.00 175.30 173.43 2dzm s MET 9 N 0.05 4.82 -0.26 3.89 -1.94 -1.26 -3.95 119.30 120.64 2dzm s MET 9 Ca -0.00 1.45 -0.03 0.00 -1.71 0.00 0.00 55.69 55.39 2dzm s MET 9 Cb -0.01 -3.29 0.02 0.00 2.01 0.00 0.00 34.83 33.57 2dzm s MET 9 CO -0.00 0.50 -0.02 -0.51 -0.01 0.00 0.00 175.02 174.99 2dzm s LEU 10 N -1.09 3.39 -0.80 -0.03 1.43 -1.21 -4.96 118.68 115.41 2dzm s LEU 10 Ca 0.41 -0.81 -0.26 0.00 -1.03 0.00 0.00 54.13 52.44 2dzm s LEU 10 Cb -0.25 -1.74 0.03 0.00 0.03 0.00 0.00 46.19 44.26 2dzm s LEU 10 CO 0.31 -0.14 1.35 -0.62 0.23 0.00 0.00 176.35 177.47 2dzm s ASP 11 N 1.38 6.20 -0.49 2.29 -1.08 -1.21 -3.68 116.67 120.08 2dzm s ASP 11 Ca 0.01 -0.66 -0.18 0.00 -0.52 0.00 0.00 52.55 51.20 2dzm s ASP 11 Cb -0.17 -2.56 0.06 0.00 -1.46 0.00 0.00 42.92 38.80 2dzm s ASP 11 CO -0.02 -1.79 0.53 -0.36 0.52 0.00 0.00 175.17 174.04 2dzm s PHE 12 N 5.72 3.13 -0.57 -5.34 0.08 0.43 -1.99 117.98 119.43 2dzm s PHE 12 Ca 0.39 -0.71 -0.25 0.00 0.12 0.00 0.00 56.93 56.48 2dzm s PHE 12 Cb -0.06 -3.38 0.04 0.00 -0.57 0.00 0.00 43.02 39.05 2dzm s PHE 12 CO 0.09 -0.93 1.03 0.50 -0.10 0.00 0.00 175.22 175.82 2dzm s ARG 13 N 2.20 3.37 -0.58 0.44 6.06 -0.77 -0.84 118.95 128.83 2dzm s ARG 13 Ca 0.10 -0.13 -0.21 0.00 -2.50 0.00 0.00 55.73 52.99 2dzm s ARG 13 Cb -0.21 -4.05 0.07 0.00 0.06 0.00 0.00 34.95 30.81 2dzm s ARG 13 CO 0.10 -1.59 0.80 0.08 -2.50 0.00 0.00 175.30 172.19 2dzm s VAL 14 N 4.34 4.61 -0.61 7.11 1.01 0.45 0.15 120.40 137.46 2dzm s VAL 14 Ca 0.34 -0.43 -0.26 0.00 0.00 0.00 0.00 61.98 61.63 2dzm s VAL 14 Cb -0.11 -4.50 0.04 0.00 0.00 0.00 0.00 36.38 31.81 2dzm s VAL 14 CO 0.20 -1.13 1.08 -0.70 0.00 0.00 0.00 175.10 174.56 2dzm s GLU 15 N 3.30 3.32 0.17 2.72 2.12 0.63 -1.76 118.70 129.20 2dzm s GLU 15 Ca 0.19 -0.21 0.11 0.00 0.36 0.00 0.00 54.97 55.43 2dzm s GLU 15 Cb -0.19 -4.10 -0.04 0.00 0.26 0.00 0.00 34.13 30.07 2dzm s GLU 15 CO 0.11 -1.73 -0.25 -0.47 -0.54 0.00 0.00 175.26 172.39 2dzm s TYR 16 N 4.61 2.29 0.00 5.30 5.04 -0.54 -3.01 117.35 131.03 2dzm s TYR 16 Ca 0.33 -0.37 0.00 0.00 -2.44 0.00 0.00 57.07 54.60 2dzm s TYR 16 Cb -0.11 -1.17 0.00 0.00 0.35 0.00 0.00 41.96 41.03 2dzm s TYR 16 CO 0.19 0.44 0.50 0.54 -1.34 0.00 0.00 175.55 175.87 2dzm n ARG 17 N 0.50 0.00 -0.31 4.97 1.74 -1.26 -0.42 116.66 121.87 2dzm n ARG 17 Ca -0.15 0.50 -0.07 0.00 -0.77 0.00 0.00 57.85 57.37 2dzm n ARG 17 Cb 0.55 -0.83 -0.05 0.00 -1.02 0.00 0.00 32.46 31.11 2dzm n ARG 17 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2dzm n ASP 18 N -1.78 -0.74 -3.04 0.55 5.75 -1.26 -4.83 116.55 111.20 2dzm n ASP 18 Ca 0.00 1.35 0.01 0.00 -0.01 0.00 0.00 54.79 56.14 2dzm n ASP 18 Cb 0.00 -0.20 0.01 0.00 -1.03 0.00 0.00 41.12 39.90 2dzm n ASP 18 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2dzm n ARG 19 N -4.99 0.26 -3.72 0.11 1.85 0.44 -5.14 116.66 105.47 2dzm n ARG 19 Ca 0.03 -0.78 -0.37 0.00 -1.00 0.00 0.00 57.85 55.72 2dzm n ARG 19 Cb 0.22 1.18 -0.12 0.00 -1.05 0.00 0.00 32.46 32.69 2dzm n ARG 19 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 2dzm s ASN 20 N -3.08 5.26 0.07 2.89 0.01 -1.26 -1.47 114.94 117.36 2dzm s ASN 20 Ca 0.21 -0.48 0.03 0.00 -0.71 0.00 0.00 52.86 51.91 2dzm s ASN 20 Cb -0.01 -1.93 -0.04 0.00 0.41 0.00 0.00 41.25 39.68 2dzm s ASN 20 CO 0.01 -0.14 0.07 0.54 -1.51 0.00 0.00 177.10 176.07 2dzm s VAL 21 N 1.57 4.48 -0.14 1.60 0.11 -0.72 -4.91 120.40 122.40 2dzm s VAL 21 Ca 0.05 -0.74 -0.07 0.00 -2.93 0.00 0.00 61.98 58.28 2dzm s VAL 21 Cb -0.16 -3.14 -0.04 0.00 -1.53 0.00 0.00 36.38 31.51 2dzm s VAL 21 CO 0.04 0.16 0.12 -0.62 -3.33 0.00 0.00 175.10 171.47 2dzm s ASP 22 N -2.27 6.19 -0.04 3.54 2.15 -1.26 -0.42 116.67 124.57 2dzm s ASP 22 Ca 0.28 0.36 0.06 0.00 0.43 0.00 0.00 52.55 53.68 2dzm s ASP 22 Cb -0.12 -2.01 -0.01 0.00 -0.30 0.00 0.00 42.92 40.47 2dzm s ASP 22 CO 0.20 0.34 -0.24 -0.69 -0.17 0.00 0.00 175.17 174.60 2dzm s VAL 23 N -0.59 1.97 -0.20 1.11 1.01 -0.02 -4.95 120.40 118.73 2dzm s VAL 23 Ca 0.12 -1.04 0.01 0.00 0.00 0.00 0.00 61.98 61.07 2dzm s VAL 23 Cb -0.12 -1.66 0.05 0.00 0.00 0.00 0.00 36.38 34.65 2dzm s VAL 23 CO 0.02 0.55 -0.08 -0.69 0.00 0.00 0.00 175.10 174.90 2dzm s VAL 24 N -0.28 1.51 -0.13 2.92 1.01 -1.26 -0.43 120.40 123.75 2dzm s VAL 24 Ca 0.00 -0.99 -0.13 0.00 0.00 0.00 0.00 61.98 60.86 2dzm s VAL 24 Cb -0.12 -1.66 0.04 0.00 0.00 0.00 0.00 36.38 34.63 2dzm s VAL 24 CO 0.02 0.09 0.37 -1.48 0.00 0.00 0.00 175.10 174.10 2dzm s LEU 25 N 1.44 0.61 0.87 3.92 2.34 -1.24 -4.93 118.68 121.69 2dzm s LEU 25 Ca -0.02 0.72 -0.13 0.00 0.06 0.00 0.00 54.13 54.76 2dzm s LEU 25 Cb -0.17 1.26 0.07 0.00 -0.56 0.00 0.00 46.19 46.80 2dzm s LEU 25 CO -0.08 -0.14 0.88 1.21 -1.06 0.00 0.00 176.35 177.17 2dzm n GLU 26 N 2.83 -0.13 0.02 1.48 2.13 -1.26 -3.34 120.64 122.37 2dzm n GLU 26 Ca -0.13 0.03 0.08 0.00 0.66 0.00 0.00 57.16 57.79 2dzm n GLU 26 Cb 0.57 -2.18 0.34 0.00 0.27 0.00 0.00 31.44 30.44 2dzm n GLU 26 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 2dzm n ASP 27 N -2.65 0.12 0.23 4.31 5.68 -1.25 -2.23 116.55 120.75 2dzm n ASP 27 Ca 0.11 0.53 0.13 0.00 -0.50 0.00 0.00 54.79 55.05 2dzm n ASP 27 Cb 0.52 -0.55 0.42 0.00 -1.14 0.00 0.00 41.12 40.37 2dzm n ASP 27 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 2dzm h THR 28 N 0.00 0.22 -4.12 2.12 1.35 -1.93 0.23 112.91 110.79 2dzm h THR 28 Ca 0.00 -0.96 -0.51 0.00 -0.55 0.00 0.00 66.41 64.39 2dzm h THR 28 Cb 0.27 1.80 0.09 0.00 -1.73 0.00 0.00 68.15 68.58 2dzm h THR 28 CO 0.00 0.10 0.43 0.00 -0.25 0.00 0.00 175.52 175.80 2dzm s THR 30 N -1.86 4.17 0.62 0.00 2.01 -1.26 -2.51 115.64 116.80 2dzm s THR 30 Ca 0.73 1.91 0.26 0.00 0.31 0.00 0.00 61.69 64.90 2dzm s THR 30 Cb -0.25 -4.12 0.33 0.00 0.01 0.00 0.00 72.50 68.47 2dzm s THR 30 CO 0.32 0.27 1.67 -0.37 -0.69 0.00 0.00 174.62 175.83 2dzm h VAL 31 N 2.81 0.17 -0.10 3.82 -1.51 -1.28 0.50 116.25 120.66 2dzm h VAL 31 Ca -0.46 0.00 -0.18 0.00 -1.23 0.00 0.00 66.70 64.83 2dzm h VAL 31 Cb 1.19 0.41 -0.00 0.00 -2.13 0.00 0.00 31.29 30.77 2dzm h VAL 31 CO 0.66 0.00 -0.69 1.23 -1.23 0.00 0.00 177.57 177.54 2dzm h GLY 32 N 0.00 0.50 -0.22 5.19 0.00 -1.80 -3.31 103.07 103.43 2dzm h GLY 32 Ca 0.22 -0.68 0.04 0.00 0.00 0.00 0.00 47.33 46.92 2dzm h GLY 32 CO -0.00 0.60 -0.52 0.83 0.00 0.00 0.00 176.54 177.45 2dzm h GLU 33 N 0.32 -0.48 -0.82 4.80 4.39 -0.34 0.14 114.58 122.59 2dzm h GLU 33 Ca -0.02 0.03 0.32 0.00 0.34 0.00 0.00 59.36 60.03 2dzm h GLU 33 Cb 1.26 0.11 -0.12 0.00 -0.10 0.00 0.00 28.75 29.89 2dzm h GLU 33 CO 0.12 -0.32 0.47 -0.89 -1.16 0.00 0.00 179.01 177.24 2dzm n ILE 34 N -5.42 -0.27 0.13 3.13 5.41 -1.25 -0.16 119.36 120.95 2dzm n ILE 34 Ca -0.05 1.42 -0.05 0.00 1.00 0.00 0.00 62.75 65.07 2dzm n ILE 34 Cb 0.36 -2.32 -0.03 0.00 -0.71 0.00 0.00 39.64 36.95 2dzm n ILE 34 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2dzm h LYS 35 N 0.00 -0.34 -0.79 0.38 1.57 -1.15 -2.14 116.57 114.10 2dzm h LYS 35 Ca 0.62 0.02 0.19 0.00 -1.87 0.00 0.00 60.65 59.62 2dzm h LYS 35 Cb 1.77 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 34.11 2dzm h LYS 35 CO -0.49 -0.23 0.54 0.37 -0.57 0.00 0.00 179.45 179.08 2dzm h GLN 36 N -0.43 0.25 -0.38 3.15 5.75 -0.56 -0.57 115.11 122.33 2dzm h GLN 36 Ca -0.04 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 2dzm h GLN 36 Cb 0.27 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 2dzm h GLN 36 CO 0.06 0.17 0.18 0.82 -2.65 0.00 0.00 178.83 177.41 2dzm h ILE 37 N 0.26 1.16 -0.05 2.39 2.04 -0.51 -1.94 117.51 120.87 2dzm h ILE 37 Ca 0.39 -0.46 0.02 0.00 1.00 0.00 0.00 64.86 65.81 2dzm h ILE 37 Cb 1.15 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 2dzm h ILE 37 CO -0.10 0.17 0.12 -0.07 0.00 0.00 0.00 178.15 178.27 2dzm h LEU 38 N 0.47 0.00 -0.12 1.44 3.38 -0.40 0.30 115.31 120.38 2dzm h LEU 38 Ca 0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2dzm h LEU 38 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2dzm h LEU 38 CO -0.02 0.00 0.00 -0.08 0.09 0.00 0.00 178.44 178.43 2dzm h GLU 39 N 0.00 0.00 -0.00 1.13 4.81 -1.26 0.43 114.58 119.68 2dzm h GLU 39 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2dzm h GLU 39 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2dzm h GLU 39 CO -0.00 0.00 -0.56 0.09 -0.73 0.00 0.00 179.01 177.81 2dzm n ASN 40 N -2.32 0.88 0.00 1.04 3.02 0.11 -2.11 115.26 115.87 2dzm n ASN 40 Ca 0.05 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.91 2dzm n ASN 40 Cb 0.41 0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.99 2dzm n ASN 40 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2dzm n GLU 41 N -1.17 2.97 0.00 3.52 -0.58 -1.13 -4.73 120.64 119.52 2dzm n GLU 41 Ca 0.07 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.87 2dzm n GLU 41 Cb 0.35 -0.97 -0.01 0.00 -0.57 0.00 0.00 31.44 30.24 2dzm n GLU 41 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2dzm n LEU 42 N -2.04 1.34 -1.98 -4.62 4.77 0.15 -4.97 117.00 109.65 2dzm n LEU 42 Ca 0.00 -0.74 -0.18 0.00 -0.03 0.00 0.00 56.01 55.06 2dzm n LEU 42 Cb 0.47 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.52 2dzm n LEU 42 CO 0.00 0.26 -0.20 0.00 -1.33 0.00 0.00 177.39 176.12 2dzm n GLN 43 N -0.29 -1.64 -3.62 3.23 3.00 -0.90 -4.95 117.38 112.21 2dzm n GLN 43 Ca 0.05 0.97 -0.37 0.00 -0.01 0.00 0.00 57.00 57.64 2dzm n GLN 43 Cb 0.27 -5.47 -0.06 0.00 0.00 0.00 0.00 30.24 24.98 2dzm n GLN 43 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2dzm s ILE 44 N -2.72 5.26 0.13 5.09 1.01 -1.25 -4.98 121.20 123.73 2dzm s ILE 44 Ca 0.00 0.56 -0.31 0.00 0.00 0.00 0.00 60.65 60.90 2dzm s ILE 44 Cb 0.00 -3.59 -0.08 0.00 0.01 0.00 0.00 42.46 38.80 2dzm s ILE 44 CO 0.00 0.53 1.35 -2.16 0.00 0.00 0.00 174.94 174.66 2dzm s PRO 45 N -0.57 4.35 0.26 2.79 0.04 -1.26 -3.85 135.00 136.76 2dzm s PRO 45 Ca 0.19 2.03 0.17 0.00 0.04 0.00 0.00 61.00 63.43 2dzm s PRO 45 Cb -0.14 -3.25 0.91 0.00 0.04 0.00 0.00 34.50 32.07 2dzm s PRO 45 CO 0.08 -0.37 1.51 0.28 0.04 0.00 0.00 177.00 178.53 2dzm n VAL 46 N 3.65 1.20 0.09 -0.36 0.31 -1.26 -0.77 118.33 121.19 2dzm n VAL 46 Ca 0.10 0.69 -0.04 0.00 -0.01 0.00 0.00 64.34 65.09 2dzm n VAL 46 Cb 0.43 -1.69 -0.04 0.00 -0.91 0.00 0.00 33.84 31.63 2dzm n VAL 46 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2dzm h SER 47 N 0.00 0.00 0.44 4.52 0.02 -1.99 -3.29 113.55 113.25 2dzm h SER 47 Ca 0.00 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 60.71 2dzm h SER 47 Cb 0.04 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.54 2dzm h SER 47 CO 0.00 0.81 -1.75 0.29 -1.14 0.00 0.00 176.83 175.04 2dzm n LYS 48 N -3.37 0.64 -2.77 3.45 4.76 0.05 -4.92 118.16 116.01 2dzm n LYS 48 Ca 0.00 0.17 -0.35 0.00 -2.87 0.00 0.00 58.31 55.26 2dzm n LYS 48 Cb 0.84 -1.72 -0.06 0.00 -1.84 0.00 0.00 35.03 32.24 2dzm n LYS 48 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2dzm s MET 49 N -2.77 4.39 -0.26 1.97 -1.94 -0.76 -4.31 119.30 115.62 2dzm s MET 49 Ca -0.05 1.27 -0.02 0.00 -1.71 0.00 0.00 55.69 55.17 2dzm s MET 49 Cb 0.08 -2.52 0.08 0.00 2.01 0.00 0.00 34.83 34.48 2dzm s MET 49 CO 0.83 0.11 0.08 -0.51 -0.01 0.00 0.00 175.02 175.52 2dzm s LEU 50 N -2.57 1.41 0.18 -0.03 1.43 -1.25 -4.89 118.68 112.96 2dzm s LEU 50 Ca 0.56 -1.22 -0.32 0.00 -1.03 0.00 0.00 54.13 52.12 2dzm s LEU 50 Cb -0.15 -0.63 -0.11 0.00 0.03 0.00 0.00 46.19 45.32 2dzm s LEU 50 CO 0.20 -0.38 1.77 -0.22 0.23 0.00 0.00 176.35 177.95 2dzm s LEU 51 N 1.83 4.38 0.05 1.79 1.98 -1.26 -3.71 118.68 123.74 2dzm s LEU 51 Ca 0.05 2.84 -0.15 0.00 -2.89 0.00 0.00 54.13 53.98 2dzm s LEU 51 Cb -0.17 -3.59 0.03 0.00 0.66 0.00 0.00 46.19 43.12 2dzm s LEU 51 CO -0.21 -0.99 0.34 -0.54 -1.89 0.00 0.00 176.35 173.06 2dzm s LYS 52 N 1.78 0.86 0.00 1.98 1.02 -1.25 -4.94 119.74 119.20 2dzm s LYS 52 Ca 0.77 -0.48 0.00 0.00 0.02 0.00 0.00 55.97 56.29 2dzm s LYS 52 Cb -0.49 0.38 0.00 0.00 -0.52 0.00 0.00 37.83 37.20 2dzm s LYS 52 CO 0.34 -0.29 0.00 0.41 -0.92 0.00 0.00 175.35 174.89 2dzm n GLY 53 N 0.49 1.05 3.61 -3.33 0.00 -1.26 -3.74 105.19 102.00 2dzm n GLY 53 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 2dzm n GLY 53 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2dzm n TRP 54 N -0.84 0.41 0.16 1.61 7.02 -1.26 -4.92 117.44 119.63 2dzm n TRP 54 Ca 0.00 0.37 0.04 0.00 -1.02 0.00 0.00 57.50 56.89 2dzm n TRP 54 Cb 0.00 -2.00 0.10 0.00 -2.42 0.00 0.00 31.31 26.99 2dzm n TRP 54 CO 0.00 0.00 0.00 -0.22 -2.02 0.00 0.00 177.69 175.45 2dzm h LYS 55 N -1.14 0.00 -6.08 -0.99 1.63 -2.00 -3.45 116.57 104.54 2dzm h LYS 55 Ca -0.45 0.00 -0.59 0.00 -0.85 0.00 0.00 60.65 58.76 2dzm h LYS 55 Cb 1.30 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.89 2dzm h LYS 55 CO 0.42 0.41 -0.39 0.95 -3.45 0.00 0.00 179.45 177.40 2dzm s THR 56 N -3.09 5.25 0.18 1.00 -4.23 -1.26 -4.99 115.64 108.51 2dzm s THR 56 Ca 0.04 -0.19 -0.08 0.00 -1.18 0.00 0.00 61.69 60.27 2dzm s THR 56 Cb 0.08 -3.64 0.26 0.00 1.34 0.00 0.00 72.50 70.54 2dzm s THR 56 CO 0.72 0.04 1.10 0.61 -0.54 0.00 0.00 174.62 176.56 2dzm n GLY 57 N 0.04 -1.30 3.45 3.99 0.00 -1.26 -4.46 105.19 105.65 2dzm n GLY 57 Ca -0.04 0.77 -0.12 0.00 0.00 0.00 0.00 46.02 46.63 2dzm n GLY 57 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dzm s ASP 58 N -5.21 -0.61 -0.04 1.61 1.47 -1.26 -5.01 116.67 107.61 2dzm s ASP 58 Ca -0.10 1.13 0.06 0.00 1.18 0.00 0.00 52.55 54.82 2dzm s ASP 58 Cb 0.17 1.11 -0.01 0.00 -0.34 0.00 0.00 42.92 43.85 2dzm s ASP 58 CO 0.53 -0.20 -0.24 -0.69 0.68 0.00 0.00 175.17 175.25 2dzm s VAL 59 N 0.61 1.96 0.21 2.11 1.01 -1.26 -5.12 120.40 119.92 2dzm s VAL 59 Ca -0.03 -1.03 0.05 0.00 0.00 0.00 0.00 61.98 60.98 2dzm s VAL 59 Cb -0.05 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 2dzm s VAL 59 CO -0.04 0.55 0.23 -1.83 0.00 0.00 0.00 175.10 174.01 2dzm s GLU 60 N -0.27 3.10 0.00 2.72 -1.05 -1.26 -4.98 118.70 116.96 2dzm s GLU 60 Ca 0.00 -0.88 0.05 0.00 -0.15 0.00 0.00 54.97 54.00 2dzm s GLU 60 Cb -0.12 -2.71 0.22 0.00 -0.44 0.00 0.00 34.13 31.08 2dzm s GLU 60 CO 0.02 0.45 1.13 -0.40 0.95 0.00 0.00 175.26 177.41 2dzm n ASP 61 N -0.91 0.00 -0.36 0.83 5.75 -1.26 -1.07 116.55 119.53 2dzm n ASP 61 Ca -0.08 0.45 0.11 0.00 -0.01 0.00 0.00 54.79 55.26 2dzm n ASP 61 Cb 0.56 -0.46 0.48 0.00 -1.03 0.00 0.00 41.12 40.66 2dzm n ASP 61 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2dzm n SER 62 N -1.46 1.08 -4.72 -1.12 7.64 -1.26 -4.16 113.62 109.61 2dzm n SER 62 Ca 0.01 -1.56 -0.32 0.00 1.01 0.00 0.00 58.87 58.02 2dzm n SER 62 Cb 0.06 -0.06 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 2dzm n SER 62 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2dzm s THR 63 N -1.89 4.29 0.04 0.44 2.01 -0.23 -5.03 115.64 115.26 2dzm s THR 63 Ca 0.33 -0.68 -0.00 0.00 0.31 0.00 0.00 61.69 61.65 2dzm s THR 63 Cb 0.17 -2.97 -0.04 0.00 0.01 0.00 0.00 72.50 69.67 2dzm s THR 63 CO 0.26 0.28 0.16 0.54 -0.69 0.00 0.00 174.62 175.17 2dzm s VAL 64 N -1.20 5.12 0.05 3.82 0.11 -1.26 -0.98 120.40 126.06 2dzm s VAL 64 Ca 0.23 -0.42 -0.16 0.00 -2.93 0.00 0.00 61.98 58.70 2dzm s VAL 64 Cb -0.12 -3.45 -0.07 0.00 -1.53 0.00 0.00 36.38 31.22 2dzm s VAL 64 CO 0.14 0.21 1.26 -0.07 -3.33 0.00 0.00 175.10 173.31 2dzm h LEU 65 N 3.45 -0.73 -1.01 2.54 3.38 -1.43 -0.02 115.31 121.48 2dzm h LEU 65 Ca -0.47 0.07 0.29 0.00 0.09 0.00 0.00 57.88 57.87 2dzm h LEU 65 Cb 1.17 0.27 -0.04 0.00 0.09 0.00 0.00 40.66 42.15 2dzm h LEU 65 CO 0.70 -0.27 1.17 2.29 0.09 0.00 0.00 178.44 182.43 2dzm n LYS 66 N -3.84 0.01 -0.10 1.13 2.85 0.81 0.12 118.16 119.14 2dzm n LYS 66 Ca -0.04 0.98 -0.09 0.00 -1.05 0.00 0.00 58.31 58.10 2dzm n LYS 66 Cb 0.20 -2.42 -0.02 0.00 -0.65 0.00 0.00 35.03 32.14 2dzm n LYS 66 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2dzm h SER 67 N 0.00 0.40 0.92 -5.58 0.87 -1.26 -3.00 113.55 105.90 2dzm h SER 67 Ca 0.48 -0.08 -0.17 0.00 -1.23 0.00 0.00 61.79 60.79 2dzm h SER 67 Cb 2.82 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 64.65 2dzm h SER 67 CO -0.01 0.37 -1.16 -0.07 -0.53 0.00 0.00 176.83 175.43 2dzm h LEU 68 N 0.41 0.00 -2.11 2.23 3.38 0.93 -3.49 115.31 116.65 2dzm h LEU 68 Ca 0.11 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.84 2dzm h LEU 68 Cb 0.05 0.00 0.16 0.00 0.09 0.00 0.00 40.66 40.96 2dzm h LEU 68 CO -0.02 0.67 -0.69 1.41 0.09 0.00 0.00 178.44 179.90 2dzm n HIS 69 N -3.06 -1.98 -1.22 1.13 8.25 -0.56 -4.95 115.22 112.83 2dzm n HIS 69 Ca -0.06 0.76 -0.35 0.00 -0.26 0.00 0.00 57.72 57.81 2dzm n HIS 69 Cb 0.85 -4.26 0.10 0.00 1.12 0.00 0.00 29.99 27.81 2dzm n HIS 69 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2dzm n LEU 70 N -3.32 3.27 -4.77 2.41 7.99 -1.26 -4.96 117.00 116.36 2dzm n LEU 70 Ca -0.15 0.61 -0.35 0.00 -0.01 0.00 0.00 56.01 56.11 2dzm n LEU 70 Cb 0.62 -1.41 0.01 0.00 -0.11 0.00 0.00 43.42 42.54 2dzm n LEU 70 CO 0.51 -2.15 0.77 -2.16 -1.51 0.00 0.00 177.39 172.85 2dzm s PRO 71 N -3.57 3.22 0.27 3.23 0.04 -1.26 -4.92 135.00 132.02 2dzm s PRO 71 Ca 0.71 1.56 -0.04 0.00 0.04 0.00 0.00 61.00 63.27 2dzm s PRO 71 Cb -0.32 -1.99 0.57 0.00 0.04 0.00 0.00 34.50 32.80 2dzm s PRO 71 CO 0.53 -0.94 1.60 -0.22 0.04 0.00 0.00 177.00 178.01 2dzm h LYS 72 N 0.92 0.06 -4.75 4.56 3.64 -1.93 -3.28 116.57 115.79 2dzm h LYS 72 Ca -0.49 -0.00 -0.70 0.00 -1.27 0.00 0.00 60.65 58.18 2dzm h LYS 72 Cb 1.26 -0.01 -0.19 0.00 -0.41 0.00 0.00 32.23 32.87 2dzm h LYS 72 CO 0.56 0.04 0.00 0.54 -2.27 0.00 0.00 179.45 178.32 2dzm s ASN 73 N -5.13 6.20 0.13 4.20 4.22 -1.26 -3.34 114.94 119.96 2dzm s ASN 73 Ca -0.13 -1.16 0.08 0.00 -2.14 0.00 0.00 52.86 49.50 2dzm s ASN 73 Cb 0.25 -2.27 -0.04 0.00 1.28 0.00 0.00 41.25 40.47 2dzm s ASN 73 CO 0.77 -0.92 -0.09 0.20 -2.04 0.00 0.00 177.10 175.02 2dzm s ASN 74 N 2.99 4.41 -0.23 3.54 0.01 -0.84 -5.05 114.94 119.77 2dzm s ASN 74 Ca 0.12 -0.44 -0.03 0.00 -0.71 0.00 0.00 52.86 51.80 2dzm s ASN 74 Cb -0.22 -0.83 0.10 0.00 0.41 0.00 0.00 41.25 40.71 2dzm s ASN 74 CO 0.09 0.15 0.20 -0.94 -1.51 0.00 0.00 177.10 175.09 2dzm s SER 75 N -2.46 1.97 0.55 -1.22 1.04 -1.26 -1.85 113.70 110.46 2dzm s SER 75 Ca 0.23 -0.57 0.07 0.00 0.48 0.00 0.00 55.95 56.16 2dzm s SER 75 Cb -0.10 0.17 0.05 0.00 0.10 0.00 0.00 66.02 66.25 2dzm s SER 75 CO 0.15 -0.36 0.54 -0.76 0.98 0.00 0.00 173.24 173.79 2dzm s LEU 76 N 2.26 2.85 -0.12 2.42 1.43 0.40 -4.85 118.68 123.07 2dzm s LEU 76 Ca 0.07 -1.10 -0.17 0.00 -1.03 0.00 0.00 54.13 51.90 2dzm s LEU 76 Cb -0.15 -1.36 0.04 0.00 0.03 0.00 0.00 46.19 44.75 2dzm s LEU 76 CO -0.20 -1.18 0.44 -0.72 0.23 0.00 0.00 176.35 174.92 2dzm s TYR 77 N -2.73 -0.44 -0.15 0.29 1.13 -1.25 -0.27 117.35 113.93 2dzm s TYR 77 Ca 0.44 1.00 -0.06 0.00 -1.41 0.00 0.00 57.07 57.03 2dzm s TYR 77 Cb -0.03 0.18 -0.04 0.00 -1.10 0.00 0.00 41.96 40.96 2dzm s TYR 77 CO 0.27 -0.31 0.06 0.08 -2.51 0.00 0.00 175.55 173.15 2dzm s VAL 78 N -0.25 4.83 -0.28 -3.49 1.01 -1.16 -3.79 120.40 117.27 2dzm s VAL 78 Ca -0.04 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 61.93 2dzm s VAL 78 Cb -0.03 -3.14 0.08 0.00 0.00 0.00 0.00 36.38 33.29 2dzm s VAL 78 CO 0.02 0.52 -0.01 -0.76 0.00 0.00 0.00 175.10 174.87 2dzm s LEU 79 N -0.12 3.32 -0.58 3.92 1.43 -1.24 -4.67 118.68 120.74 2dzm s LEU 79 Ca 0.07 -1.57 -0.14 0.00 -1.03 0.00 0.00 54.13 51.47 2dzm s LEU 79 Cb -0.12 -1.33 0.14 0.00 0.03 0.00 0.00 46.19 44.91 2dzm s LEU 79 CO 0.01 -0.29 0.51 0.42 0.23 0.00 0.00 176.35 177.23 2dzm s THR 80 N 1.23 5.04 0.05 5.49 -4.23 -1.26 -3.76 115.64 118.20 2dzm s THR 80 Ca 0.01 -1.75 -0.19 0.00 -1.18 0.00 0.00 61.69 58.57 2dzm s THR 80 Cb -0.19 -4.23 -0.13 0.00 1.34 0.00 0.00 72.50 69.29 2dzm s THR 80 CO -0.09 -0.88 1.36 1.55 -0.54 0.00 0.00 174.62 176.02 2dzm h PRO 81 N 8.58 0.42 0.33 3.99 0.13 -1.98 -3.36 132.00 140.11 2dzm h PRO 81 Ca -0.21 -0.23 -0.02 0.00 -0.87 0.00 0.00 66.00 64.68 2dzm h PRO 81 Cb 1.08 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2dzm h PRO 81 CO 0.95 0.79 -0.16 -0.44 -0.23 0.00 0.00 178.00 178.91 2dzm h ASP 82 N 0.07 -0.38 -1.07 1.44 3.32 -1.91 -3.45 116.42 114.45 2dzm h ASP 82 Ca 0.03 0.01 -0.78 0.00 0.02 0.00 0.00 57.03 56.31 2dzm h ASP 82 Cb 0.72 0.10 0.05 0.00 0.22 0.00 0.00 39.33 40.41 2dzm h ASP 82 CO 0.04 0.02 0.13 -0.11 -1.72 0.00 0.00 179.24 177.61 2dzm n LEU 83 N -4.82 0.22 -4.75 1.55 7.94 -1.26 -4.90 117.00 110.97 2dzm n LEU 83 Ca -0.06 1.16 -0.31 0.00 -1.11 0.00 0.00 56.01 55.70 2dzm n LEU 83 Cb 0.18 -0.94 0.11 0.00 0.53 0.00 0.00 43.42 43.29 2dzm n LEU 83 CO 0.13 -1.77 0.69 -2.16 -1.11 0.00 0.00 177.39 173.17 2dzm s PRO 84 N 0.21 1.94 0.39 1.96 0.04 -1.26 -4.93 135.00 133.35 2dzm s PRO 84 Ca 0.91 1.06 -0.26 0.00 0.04 0.00 0.00 61.00 62.75 2dzm s PRO 84 Cb -1.25 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 31.33 2dzm s PRO 84 CO 0.57 -1.83 1.19 -1.25 0.04 0.00 0.00 177.00 175.72 2dzm s PRO 85 N -4.91 4.10 -0.79 0.56 0.04 -1.26 -4.93 135.00 127.80 2dzm s PRO 85 Ca 0.62 1.91 -0.25 0.00 0.04 0.00 0.00 61.00 63.31 2dzm s PRO 85 Cb -0.17 -2.74 -0.04 0.00 0.04 0.00 0.00 34.50 31.59 2dzm s PRO 85 CO 0.56 -0.30 1.92 -1.25 0.04 0.00 0.00 177.00 177.97 2dzm s PRO 86 N -2.21 2.58 -0.04 0.56 0.04 -1.26 -4.83 135.00 129.85 2dzm s PRO 86 Ca 0.56 0.04 -0.23 0.00 0.04 0.00 0.00 61.00 61.41 2dzm s PRO 86 Cb -0.32 -4.81 -0.17 0.00 0.04 0.00 0.00 34.50 29.23 2dzm s PRO 86 CO 0.41 -3.14 1.02 0.77 0.04 0.00 0.00 177.00 176.10 2dzm h SER 87 N 12.66 -0.15 -4.09 6.66 0.02 -2.05 -3.40 113.55 123.20 2dzm h SER 87 Ca -0.03 -0.39 -0.65 0.00 -0.84 0.00 0.00 61.79 59.88 2dzm h SER 87 Cb 1.06 0.04 -0.40 0.00 0.14 0.00 0.00 62.40 63.24 2dzm h SER 87 CO 1.21 0.38 -0.56 -0.94 -1.14 0.00 0.00 176.83 175.78 2dzm s SER 88 N -5.51 4.61 0.66 3.07 1.04 -1.26 -5.09 113.70 111.21 2dzm s SER 88 Ca -0.14 -3.17 -0.17 0.00 0.48 0.00 0.00 55.95 52.95 2dzm s SER 88 Cb 0.01 -1.68 -0.03 0.00 0.10 0.00 0.00 66.02 64.42 2dzm s SER 88 CO 0.54 -0.22 0.92 -1.20 0.98 0.00 0.00 173.24 174.27 2dzm n SER 89 N 2.93 0.48 -3.63 7.02 7.64 -1.26 -5.02 113.62 121.77 2dzm n SER 89 Ca 0.09 0.74 -0.02 0.00 1.01 0.00 0.00 58.87 60.68 2dzm n SER 89 Cb 0.34 -1.38 -0.05 0.00 -1.01 0.00 0.00 64.21 62.11 2dzm n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dzm s SER 90 N -1.41 -1.06 -0.30 6.43 0.15 -1.26 -5.15 113.70 111.10 2dzm s SER 90 Ca 0.75 1.50 -0.14 0.00 0.70 0.00 0.00 55.95 58.75 2dzm s SER 90 Cb -0.38 2.07 0.16 0.00 -1.71 0.00 0.00 66.02 66.15 2dzm s SER 90 CO 0.48 -0.21 0.94 -2.28 1.20 0.00 0.00 173.24 173.37 2dzm s HIS 91 N 2.60 -0.76 -0.29 3.44 5.04 -1.26 -5.17 115.29 118.89 2dzm s HIS 91 Ca -0.07 1.33 -0.21 0.00 -1.54 0.00 0.00 55.06 54.58 2dzm s HIS 91 Cb -0.10 0.46 0.14 0.00 0.04 0.00 0.00 32.58 33.11 2dzm s HIS 91 CO -0.19 -0.38 1.03 0.00 -2.34 0.00 0.00 174.74 172.86 2dzm s ALA 92 N 2.44 -2.14 0.00 1.58 0.00 -1.26 -5.05 121.76 117.34 2dzm s ALA 92 Ca -0.03 2.03 0.00 0.00 0.00 0.00 0.00 51.96 53.96 2dzm s ALA 92 Cb -0.07 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.46 2dzm s ALA 92 CO -0.18 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 175.71 2dzm n GLY 93 N 2.92 0.84 3.86 0.00 0.00 -1.26 -5.14 105.19 106.42 2dzm n GLY 93 Ca -0.15 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 44.90 2dzm n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dzm s ALA 94 N -1.86 4.31 0.05 4.61 0.00 -1.26 -5.16 121.76 122.45 2dzm s ALA 94 Ca 0.00 -1.12 -0.27 0.00 0.00 0.00 0.00 51.96 50.57 2dzm s ALA 94 Cb 0.00 -0.55 0.09 0.00 0.00 0.00 0.00 23.12 22.66 2dzm s ALA 94 CO 0.00 -0.33 0.83 -0.48 0.00 0.00 0.00 175.76 175.78 2dzm s LEU 95 N -4.17 -0.39 -0.30 0.00 -0.00 -1.26 -5.17 118.68 107.40 2dzm s LEU 95 Ca 0.28 -0.05 -0.13 0.00 -0.00 0.00 0.00 54.13 54.23 2dzm s LEU 95 Cb -0.01 2.17 0.14 0.00 -0.00 0.00 0.00 46.19 48.49 2dzm s LEU 95 CO 0.17 -0.73 0.84 -1.58 -0.00 0.00 0.00 176.35 175.05 2dzm s GLN 96 N -3.28 0.44 -0.55 1.48 2.00 -1.26 -5.12 119.66 113.38 2dzm s GLN 96 Ca 0.05 1.04 -0.08 0.00 -2.00 0.00 0.00 55.36 54.37 2dzm s GLN 96 Cb -0.01 0.54 0.14 0.00 0.80 0.00 0.00 33.01 34.48 2dzm s GLN 96 CO -0.08 -0.14 0.42 -1.21 -0.50 0.00 0.00 175.29 173.77 2dzm s GLU 97 N 2.42 2.62 0.13 1.67 2.02 -1.26 -5.02 118.70 121.28 2dzm s GLU 97 Ca -0.05 -2.03 -0.26 0.00 0.02 0.00 0.00 54.97 52.65 2dzm s GLU 97 Cb -0.08 -3.93 0.07 0.00 0.10 0.00 0.00 34.13 30.29 2dzm s GLU 97 CO -0.18 -1.20 1.03 -1.54 0.02 0.00 0.00 175.26 173.39 2dzm s SER 98 N 2.13 -0.14 0.35 -0.19 1.04 -1.26 -5.19 113.70 110.44 2dzm s SER 98 Ca 0.10 -0.38 0.04 0.00 0.48 0.00 0.00 55.95 56.18 2dzm s SER 98 Cb -0.23 0.43 -0.05 0.00 0.10 0.00 0.00 66.02 66.27 2dzm s SER 98 CO -0.03 -0.80 0.07 -0.76 0.98 0.00 0.00 173.24 172.70 2dzm s LEU 99 N -2.99 2.13 0.00 2.42 1.02 -1.26 -5.33 118.68 114.67 2dzm s LEU 99 Ca 0.13 -1.46 0.00 0.00 0.02 0.00 0.00 54.13 52.82 2dzm s LEU 99 Cb -0.00 -0.32 0.00 0.00 0.02 0.00 0.00 46.19 45.89 2dzm s LEU 99 CO 0.02 -0.70 0.00 0.59 0.02 0.00 0.00 176.35 176.28