#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dzm s SER 2 N 0.00 -0.27 -0.06 1.61 0.15 -1.26 -5.17 113.70 108.70 2dzm s SER 2 Ca 0.00 0.24 0.02 0.00 0.70 0.00 0.00 55.95 56.91 2dzm s SER 2 Cb 0.00 0.24 0.01 0.00 -1.71 0.00 0.00 66.02 64.56 2dzm s SER 2 CO 0.00 -0.30 -0.12 -0.44 1.20 0.00 0.00 173.24 173.59 2dzm s SER 3 N -1.37 1.69 0.00 5.45 0.01 -1.26 -5.11 113.70 113.12 2dzm s SER 3 Ca 0.02 -0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.00 2dzm s SER 3 Cb -0.01 -0.78 0.00 0.00 0.21 0.00 0.00 66.02 65.44 2dzm s SER 3 CO -0.02 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.27 2dzm n GLY 4 N 3.82 -0.23 3.30 3.44 0.00 -1.26 -5.13 105.19 109.13 2dzm n GLY 4 Ca -0.23 -1.32 -0.32 0.00 0.00 0.00 0.00 46.02 44.15 2dzm n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dzm s SER 5 N 0.00 3.55 -0.17 1.61 0.01 -1.26 -5.01 113.70 112.43 2dzm s SER 5 Ca 0.00 -0.44 -0.07 0.00 1.31 0.00 0.00 55.95 56.74 2dzm s SER 5 Cb 0.00 -1.51 -0.08 0.00 0.21 0.00 0.00 66.02 64.64 2dzm s SER 5 CO 0.00 0.16 -0.22 -1.20 0.41 0.00 0.00 173.24 172.40 2dzm n SER 6 N 3.52 1.43 -4.35 2.44 7.64 -1.26 -4.96 113.62 118.08 2dzm n SER 6 Ca -0.19 0.17 -0.36 0.00 1.01 0.00 0.00 58.87 59.51 2dzm n SER 6 Cb 0.53 -0.48 -0.13 0.00 -1.01 0.00 0.00 64.21 63.11 2dzm n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dzm s GLY 7 N -5.36 1.68 0.01 0.23 0.00 -1.26 -5.08 107.32 97.54 2dzm s GLY 7 Ca -0.24 -1.22 -0.30 0.00 0.00 0.00 0.00 44.72 42.96 2dzm s GLY 7 CO 0.32 0.50 1.09 1.09 0.00 0.00 0.00 173.10 176.10 2dzm s ARG 8 N 1.51 4.47 0.14 2.90 1.70 -1.26 -4.98 118.95 123.44 2dzm s ARG 8 Ca 0.05 1.58 -0.19 0.00 -0.47 0.00 0.00 55.73 56.70 2dzm s ARG 8 Cb -0.15 -3.44 -0.07 0.00 -0.57 0.00 0.00 34.95 30.72 2dzm s ARG 8 CO -0.00 -0.20 0.63 -1.64 -1.08 0.00 0.00 175.30 173.00 2dzm s MET 9 N 1.28 4.22 -0.17 3.89 -1.94 -1.26 -3.63 119.30 121.68 2dzm s MET 9 Ca 0.55 0.77 -0.01 0.00 -1.71 0.00 0.00 55.69 55.29 2dzm s MET 9 Cb -0.24 -3.09 -0.00 0.00 2.01 0.00 0.00 34.83 33.50 2dzm s MET 9 CO 0.27 0.54 -0.12 -0.51 -0.01 0.00 0.00 175.02 175.19 2dzm s LEU 10 N -1.51 2.62 -0.92 -0.03 1.43 -1.24 -4.96 118.68 114.07 2dzm s LEU 10 Ca 0.35 -0.43 -0.22 0.00 -1.03 0.00 0.00 54.13 52.80 2dzm s LEU 10 Cb -0.18 -1.62 0.08 0.00 0.03 0.00 0.00 46.19 44.50 2dzm s LEU 10 CO 0.20 0.06 1.26 -0.62 0.23 0.00 0.00 176.35 177.48 2dzm s ASP 11 N 0.96 6.48 -0.52 2.29 -1.08 -1.18 -3.82 116.67 119.81 2dzm s ASP 11 Ca -0.02 -1.52 -0.23 0.00 -0.52 0.00 0.00 52.55 50.26 2dzm s ASP 11 Cb -0.15 -2.49 0.04 0.00 -1.46 0.00 0.00 42.92 38.86 2dzm s ASP 11 CO -0.01 -1.37 0.85 -0.36 0.52 0.00 0.00 175.17 174.79 2dzm s PHE 12 N 4.10 2.89 -0.56 -5.34 0.08 0.05 -2.05 117.98 117.15 2dzm s PHE 12 Ca 0.37 -0.06 -0.22 0.00 0.12 0.00 0.00 56.93 57.14 2dzm s PHE 12 Cb -0.05 -3.88 0.06 0.00 -0.57 0.00 0.00 43.02 38.58 2dzm s PHE 12 CO -0.05 -1.20 0.85 0.50 -0.10 0.00 0.00 175.22 175.21 2dzm s ARG 13 N 3.55 3.21 -0.27 0.44 3.52 -0.88 -0.81 118.95 127.70 2dzm s ARG 13 Ca 0.28 -0.62 -0.20 0.00 -0.13 0.00 0.00 55.73 55.06 2dzm s ARG 13 Cb -0.14 -4.11 -0.02 0.00 -1.56 0.00 0.00 34.95 29.12 2dzm s ARG 13 CO 0.19 -1.49 0.62 0.08 -0.81 0.00 0.00 175.30 173.89 2dzm s VAL 14 N 3.54 4.98 -0.52 7.11 1.01 -0.11 -0.03 120.40 136.38 2dzm s VAL 14 Ca 0.23 1.00 -0.18 0.00 0.00 0.00 0.00 61.98 63.03 2dzm s VAL 14 Cb -0.16 -3.95 0.08 0.00 0.00 0.00 0.00 36.38 32.35 2dzm s VAL 14 CO 0.14 -0.03 0.55 -0.70 0.00 0.00 0.00 175.10 175.07 2dzm s GLU 15 N 2.52 3.05 0.12 2.72 2.12 0.48 -1.05 118.70 128.66 2dzm s GLU 15 Ca 0.25 -1.21 0.09 0.00 0.36 0.00 0.00 54.97 54.46 2dzm s GLU 15 Cb -0.15 -4.16 -0.04 0.00 0.26 0.00 0.00 34.13 30.03 2dzm s GLU 15 CO 0.10 -1.23 -0.18 -0.47 -0.54 0.00 0.00 175.26 172.93 2dzm s TYR 16 N 2.21 2.53 0.14 5.30 5.04 -0.89 -3.09 117.35 128.59 2dzm s TYR 16 Ca 0.10 -0.27 -0.17 0.00 -2.44 0.00 0.00 57.07 54.28 2dzm s TYR 16 Cb -0.23 -1.34 0.06 0.00 0.35 0.00 0.00 41.96 40.81 2dzm s TYR 16 CO 0.08 0.39 1.12 0.54 -1.34 0.00 0.00 175.55 176.34 2dzm n ARG 17 N 0.77 -0.24 0.04 4.97 1.74 -1.26 -0.16 116.66 122.52 2dzm n ARG 17 Ca -0.15 1.10 -0.14 0.00 -0.77 0.00 0.00 57.85 57.88 2dzm n ARG 17 Cb 0.53 -1.63 -0.09 0.00 -1.02 0.00 0.00 32.46 30.25 2dzm n ARG 17 CO 0.00 0.00 0.00 0.22 -1.52 0.00 0.00 177.63 176.33 2dzm h ASP 18 N 0.00 -1.54 -5.73 0.55 1.82 -1.98 -3.47 116.42 106.07 2dzm h ASP 18 Ca 0.18 0.17 0.30 0.00 -0.39 0.00 0.00 57.03 57.30 2dzm h ASP 18 Cb 0.37 0.59 -0.08 0.00 0.68 0.00 0.00 39.33 40.88 2dzm h ASP 18 CO -0.70 -0.48 0.81 0.00 -1.61 0.00 0.00 179.24 177.27 2dzm s ARG 19 N -5.50 0.57 -0.34 0.28 1.70 0.78 -5.13 118.95 111.29 2dzm s ARG 19 Ca -0.15 -0.35 -0.18 0.00 -0.47 0.00 0.00 55.73 54.58 2dzm s ARG 19 Cb 0.06 0.17 -0.01 0.00 -0.57 0.00 0.00 34.95 34.60 2dzm s ARG 19 CO 0.56 -0.27 0.49 0.54 -1.08 0.00 0.00 175.30 175.55 2dzm s ASN 20 N -3.46 6.30 0.04 -2.89 4.22 -1.26 -2.10 114.94 115.79 2dzm s ASN 20 Ca 0.23 -0.03 0.00 0.00 -2.14 0.00 0.00 52.86 50.92 2dzm s ASN 20 Cb 0.01 -2.26 -0.04 0.00 1.28 0.00 0.00 41.25 40.24 2dzm s ASN 20 CO -0.01 -0.45 0.14 0.54 -2.04 0.00 0.00 177.10 175.28 2dzm s VAL 21 N 2.34 4.99 -0.18 3.54 0.11 -0.21 -4.92 120.40 126.06 2dzm s VAL 21 Ca 0.18 -0.47 -0.09 0.00 -2.93 0.00 0.00 61.98 58.67 2dzm s VAL 21 Cb -0.16 -3.37 -0.05 0.00 -1.53 0.00 0.00 36.38 31.27 2dzm s VAL 21 CO 0.13 0.21 0.12 -0.62 -3.33 0.00 0.00 175.10 171.62 2dzm s ASP 22 N -2.20 6.16 0.06 3.54 2.15 -1.26 -0.94 116.67 124.18 2dzm s ASP 22 Ca 0.29 0.25 0.09 0.00 0.43 0.00 0.00 52.55 53.61 2dzm s ASP 22 Cb -0.12 -2.06 -0.03 0.00 -0.30 0.00 0.00 42.92 40.40 2dzm s ASP 22 CO 0.21 0.22 -0.26 -0.69 -0.17 0.00 0.00 175.17 174.48 2dzm s VAL 23 N 0.13 2.12 -0.06 1.11 1.01 0.01 -4.98 120.40 119.74 2dzm s VAL 23 Ca 0.09 -1.43 -0.01 0.00 0.00 0.00 0.00 61.98 60.63 2dzm s VAL 23 Cb -0.11 -1.82 0.03 0.00 0.00 0.00 0.00 36.38 34.47 2dzm s VAL 23 CO -0.01 0.31 0.00 -0.69 0.00 0.00 0.00 175.10 174.72 2dzm s VAL 24 N -0.84 0.33 -0.18 2.92 1.01 -1.26 -0.77 120.40 121.60 2dzm s VAL 24 Ca 0.12 0.12 -0.14 0.00 0.00 0.00 0.00 61.98 62.08 2dzm s VAL 24 Cb -0.10 -0.48 0.05 0.00 0.00 0.00 0.00 36.38 35.86 2dzm s VAL 24 CO 0.03 0.24 0.47 -1.48 0.00 0.00 0.00 175.10 174.36 2dzm s LEU 25 N 1.80 0.04 0.88 3.92 2.34 -1.25 -4.98 118.68 121.43 2dzm s LEU 25 Ca 0.02 0.98 -0.13 0.00 0.06 0.00 0.00 54.13 55.06 2dzm s LEU 25 Cb -0.13 1.60 0.06 0.00 -0.56 0.00 0.00 46.19 47.16 2dzm s LEU 25 CO -0.04 -0.18 0.75 1.21 -1.06 0.00 0.00 176.35 177.03 2dzm n GLU 26 N 3.31 -0.12 0.00 1.48 2.13 -1.26 -3.69 120.64 122.49 2dzm n GLU 26 Ca -0.17 0.02 0.06 0.00 0.66 0.00 0.00 57.16 57.73 2dzm n GLU 26 Cb 0.56 -2.08 0.27 0.00 0.27 0.00 0.00 31.44 30.46 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 -2.16 0.00 0.16 4.31 5.75 -1.24 -1.81 116.55 121.56 2dzm n ASP 27 Ca 0.10 0.29 0.08 0.00 -0.01 0.00 0.00 54.79 55.25 2dzm n ASP 27 Cb 0.52 -0.38 0.08 0.00 -1.03 0.00 0.00 41.12 40.30 2dzm n ASP 27 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 2dzm h THR 28 N 0.00 0.32 -4.15 2.12 1.35 -1.92 0.73 112.91 111.36 2dzm h THR 28 Ca 0.00 -1.48 -0.52 0.00 -0.55 0.00 0.00 66.41 63.86 2dzm h THR 28 Cb 0.15 2.06 0.12 0.00 -1.73 0.00 0.00 68.15 68.75 2dzm h THR 28 CO 0.00 0.18 0.41 0.00 -0.25 0.00 0.00 175.52 175.86 2dzm s THR 30 N -1.97 4.58 0.58 0.00 2.01 -1.26 -2.60 115.64 116.97 2dzm s THR 30 Ca 0.73 1.39 0.34 0.00 0.31 0.00 0.00 61.69 64.46 2dzm s THR 30 Cb -0.26 -3.98 0.49 0.00 0.01 0.00 0.00 72.50 68.76 2dzm s THR 30 CO 0.39 0.48 1.63 -0.37 -0.69 0.00 0.00 174.62 176.06 2dzm h VAL 31 N 3.31 0.20 -0.50 3.82 -1.51 -1.33 0.64 116.25 120.88 2dzm h VAL 31 Ca -0.48 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 64.93 2dzm h VAL 31 Cb 1.21 0.27 -0.02 0.00 -2.13 0.00 0.00 31.29 30.61 2dzm h VAL 31 CO 0.65 0.00 0.08 1.23 -1.23 0.00 0.00 177.57 178.29 2dzm h GLY 32 N 0.00 0.84 -0.07 5.19 0.00 -1.79 -3.19 103.07 104.05 2dzm h GLY 32 Ca 0.52 -0.51 0.02 0.00 0.00 0.00 0.00 47.33 47.36 2dzm h GLY 32 CO -0.01 0.48 -0.50 0.83 0.00 0.00 0.00 176.54 177.34 2dzm h GLU 33 N 0.75 -0.55 -0.86 4.80 3.07 -0.04 -0.44 114.58 121.31 2dzm h GLU 33 Ca 0.16 0.04 0.33 0.00 -0.50 0.00 0.00 59.36 59.38 2dzm h GLU 33 Cb 0.35 0.13 -0.12 0.00 -0.84 0.00 0.00 28.75 28.26 2dzm h GLU 33 CO 0.01 -0.37 0.51 -0.89 -1.40 0.00 0.00 179.01 176.87 2dzm n ILE 34 N -5.20 -0.25 0.16 3.13 5.41 -1.21 -0.16 119.36 121.24 2dzm n ILE 34 Ca -0.06 1.41 -0.07 0.00 1.00 0.00 0.00 62.75 65.03 2dzm n ILE 34 Cb 0.36 -2.29 -0.03 0.00 -0.71 0.00 0.00 39.64 36.96 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 -0.41 -0.62 0.38 1.57 -1.22 -2.56 116.57 113.71 2dzm h LYS 35 Ca 0.63 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 59.53 2dzm h LYS 35 Cb 1.84 0.09 -0.07 0.00 0.08 0.00 0.00 32.23 34.17 2dzm h LYS 35 CO -0.46 -0.27 0.24 0.37 -0.57 0.00 0.00 179.45 178.76 2dzm h GLN 36 N -0.53 0.42 -0.88 3.15 5.75 -0.45 -1.28 115.11 121.29 2dzm h GLN 36 Ca -0.04 -0.03 0.19 0.00 -0.15 0.00 0.00 58.65 58.62 2dzm h GLN 36 Cb 0.33 -0.09 -0.11 0.00 1.07 0.00 0.00 27.48 28.67 2dzm h GLN 36 CO 0.07 0.28 0.43 0.82 -2.65 0.00 0.00 178.83 177.78 2dzm h ILE 37 N 0.43 0.59 0.00 2.39 2.04 -0.62 0.61 117.51 122.96 2dzm h ILE 37 Ca 0.31 -0.18 -0.01 0.00 1.00 0.00 0.00 64.86 65.99 2dzm h ILE 37 Cb 0.38 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 2dzm h ILE 37 CO -0.30 0.09 -0.03 -0.07 0.00 0.00 0.00 178.15 177.85 2dzm h LEU 38 N 0.51 0.00 -0.29 1.44 3.38 -0.79 0.31 115.31 119.88 2dzm h LEU 38 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.49 2dzm h LEU 38 Cb 0.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2dzm h LEU 38 CO -0.45 0.03 0.00 -0.08 0.09 0.00 0.00 178.44 178.02 2dzm h GLU 39 N 0.00 0.00 -0.01 1.13 4.81 0.29 0.31 114.58 121.12 2dzm h GLU 39 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2dzm h GLU 39 Cb 0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 2dzm h GLU 39 CO 0.00 0.00 -0.37 0.09 -0.73 0.00 0.00 179.01 178.01 2dzm n ASN 40 N -2.69 1.00 -0.00 1.04 3.02 0.09 -1.89 115.26 115.82 2dzm n ASN 40 Ca 0.04 -0.81 -0.00 0.00 -0.03 0.00 0.00 54.58 53.78 2dzm n ASN 40 Cb 0.43 0.23 -0.00 0.00 -0.61 0.00 0.00 39.78 39.83 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 -0.83 1.52 0.00 3.52 -0.58 -1.11 -4.72 120.64 118.44 2dzm n GLU 41 Ca 0.10 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.92 2dzm n GLU 41 Cb 0.36 -1.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.19 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 -2.31 1.43 -2.03 -4.62 4.77 0.11 -4.97 117.00 109.38 2dzm n LEU 42 Ca -0.00 -0.68 -0.21 0.00 -0.03 0.00 0.00 56.01 55.09 2dzm n LEU 42 Cb 0.50 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.55 2dzm n LEU 42 CO 0.00 0.29 -0.23 0.00 -1.33 0.00 0.00 177.39 176.12 2dzm n GLN 43 N -0.50 -1.59 -3.89 3.23 1.13 -0.79 -4.96 117.38 110.00 2dzm n GLN 43 Ca 0.06 1.10 -0.36 0.00 -1.94 0.00 0.00 57.00 55.86 2dzm n GLN 43 Cb 0.34 -5.63 -0.08 0.00 0.11 0.00 0.00 30.24 24.98 2dzm n GLN 43 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2dzm s ILE 44 N -2.90 5.26 0.10 5.09 1.01 -1.25 -4.99 121.20 123.52 2dzm s ILE 44 Ca 0.00 0.13 -0.31 0.00 0.00 0.00 0.00 60.65 60.47 2dzm s ILE 44 Cb 0.00 -3.33 -0.08 0.00 0.01 0.00 0.00 42.46 39.06 2dzm s ILE 44 CO 0.00 0.53 1.37 -2.16 0.00 0.00 0.00 174.94 174.69 2dzm s PRO 45 N -0.33 4.33 0.41 2.79 0.04 -1.26 -3.81 135.00 137.16 2dzm s PRO 45 Ca 0.11 2.04 0.23 0.00 0.04 0.00 0.00 61.00 63.41 2dzm s PRO 45 Cb -0.12 -3.28 1.25 0.00 0.04 0.00 0.00 34.50 32.39 2dzm s PRO 45 CO 0.01 -0.43 1.67 0.28 0.04 0.00 0.00 177.00 178.57 2dzm h VAL 46 N 4.33 0.00 0.00 -0.36 2.07 -1.90 0.31 116.25 120.69 2dzm h VAL 46 Ca -0.42 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 2dzm h VAL 46 Cb 1.21 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 2dzm h VAL 46 CO 0.86 0.00 -0.12 0.28 0.02 0.00 0.00 177.57 178.61 2dzm h SER 47 N 0.00 0.00 -0.09 0.57 0.02 -1.99 -3.15 113.55 108.91 2dzm h SER 47 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2dzm h SER 47 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2dzm h SER 47 CO 0.00 0.12 0.00 0.29 -1.14 0.00 0.00 176.83 176.10 2dzm n LYS 48 N -3.14 1.34 -4.47 3.45 4.76 0.10 -4.96 118.16 115.24 2dzm n LYS 48 Ca 0.03 -1.52 -0.34 0.00 -2.87 0.00 0.00 58.31 53.61 2dzm n LYS 48 Cb 0.55 -1.30 -0.10 0.00 -1.84 0.00 0.00 35.03 32.34 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 -1.21 2.78 -0.32 1.97 -1.94 -0.93 -4.40 119.30 115.24 2dzm s MET 49 Ca 0.20 -0.56 0.03 0.00 -1.71 0.00 0.00 55.69 53.66 2dzm s MET 49 Cb 0.13 -2.64 0.09 0.00 2.01 0.00 0.00 34.83 34.43 2dzm s MET 49 CO 0.19 0.66 0.02 -0.51 -0.01 0.00 0.00 175.02 175.37 2dzm s LEU 50 N -1.07 4.33 -0.14 -0.03 1.43 -1.21 -4.89 118.68 117.10 2dzm s LEU 50 Ca 0.15 -1.97 -0.29 0.00 -1.03 0.00 0.00 54.13 50.98 2dzm s LEU 50 Cb -0.11 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 2dzm s LEU 50 CO 0.04 -0.35 1.59 -0.22 0.23 0.00 0.00 176.35 177.64 2dzm s LEU 51 N 0.99 4.12 0.37 1.79 1.98 -1.26 -3.45 118.68 123.22 2dzm s LEU 51 Ca 0.07 1.90 0.04 0.00 -2.89 0.00 0.00 54.13 53.26 2dzm s LEU 51 Cb -0.19 -3.53 -0.03 0.00 0.66 0.00 0.00 46.19 43.10 2dzm s LEU 51 CO -0.09 -1.05 0.17 -0.54 -1.89 0.00 0.00 176.35 172.95 2dzm s LYS 52 N 4.25 1.82 0.00 1.98 1.02 -1.23 -4.89 119.74 122.69 2dzm s LYS 52 Ca 0.70 -2.09 0.00 0.00 0.02 0.00 0.00 55.97 54.61 2dzm s LYS 52 Cb -0.28 -0.29 0.00 0.00 -0.52 0.00 0.00 37.83 36.74 2dzm s LYS 52 CO 0.27 -0.51 0.00 0.41 -0.92 0.00 0.00 175.35 174.60 2dzm n GLY 53 N -0.78 1.99 3.32 -3.33 0.00 -1.26 -3.91 105.19 101.22 2dzm n GLY 53 Ca -0.01 0.00 -0.59 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.14 1.27 -0.30 1.61 7.02 -1.26 -4.77 117.44 120.87 2dzm n TRP 54 Ca 0.00 1.01 0.14 0.00 -1.02 0.00 0.00 57.50 57.63 2dzm n TRP 54 Cb 0.00 -1.98 0.38 0.00 -2.42 0.00 0.00 31.31 27.29 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 3.95 0.66 -7.07 -0.99 1.63 -1.99 -3.42 116.57 109.35 2dzm h LYS 55 Ca -0.42 -0.04 -0.47 0.00 -0.85 0.00 0.00 60.65 58.87 2dzm h LYS 55 Cb 1.26 -0.15 0.02 0.00 -0.60 0.00 0.00 32.23 32.76 2dzm h LYS 55 CO 0.79 0.44 0.38 0.95 -3.45 0.00 0.00 179.45 178.56 2dzm s THR 56 N -5.70 3.83 0.26 1.00 -4.23 -1.26 -4.89 115.64 104.64 2dzm s THR 56 Ca -0.10 1.14 0.11 0.00 -1.18 0.00 0.00 61.69 61.66 2dzm s THR 56 Cb 0.23 -3.46 0.27 0.00 1.34 0.00 0.00 72.50 70.88 2dzm s THR 56 CO 0.79 -0.24 1.14 0.61 -0.54 0.00 0.00 174.62 176.38 2dzm n GLY 57 N -0.27 -0.68 3.61 3.99 0.00 -1.26 -4.52 105.19 106.06 2dzm n GLY 57 Ca 0.09 0.62 -0.10 0.00 0.00 0.00 0.00 46.02 46.64 2dzm n GLY 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dzm s ASP 58 N -4.76 -0.38 -0.10 1.61 1.01 -1.26 -5.04 116.67 107.75 2dzm s ASP 58 Ca -0.07 0.58 0.03 0.00 0.71 0.00 0.00 52.55 53.79 2dzm s ASP 58 Cb 0.24 0.53 0.01 0.00 1.01 0.00 0.00 42.92 44.70 2dzm s ASP 58 CO 0.57 -0.25 -0.18 -0.69 0.21 0.00 0.00 175.17 174.83 2dzm s VAL 59 N -0.51 1.67 0.13 -1.27 1.01 -1.26 -5.10 120.40 115.06 2dzm s VAL 59 Ca 0.01 -0.78 -0.13 0.00 0.00 0.00 0.00 61.98 61.08 2dzm s VAL 59 Cb -0.03 -1.48 -0.07 0.00 0.00 0.00 0.00 36.38 34.80 2dzm s VAL 59 CO -0.02 0.47 0.51 -1.83 0.00 0.00 0.00 175.10 174.23 2dzm s GLU 60 N 0.64 3.91 0.46 2.72 -1.05 -1.26 -4.94 118.70 119.18 2dzm s GLU 60 Ca -0.13 0.39 0.23 0.00 -0.15 0.00 0.00 54.97 55.30 2dzm s GLU 60 Cb -0.16 -2.94 1.24 0.00 -0.44 0.00 0.00 34.13 31.83 2dzm s GLU 60 CO 0.04 0.50 1.66 0.38 0.95 0.00 0.00 175.26 178.78 2dzm h ASP 61 N 3.56 0.00 -0.04 0.83 2.03 -1.99 0.50 116.42 121.31 2dzm h ASP 61 Ca -0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 2dzm h ASP 61 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 2dzm h ASP 61 CO 0.66 0.00 0.00 -1.20 -1.03 0.00 0.00 179.24 177.67 2dzm n SER 62 N -2.45 0.39 -4.83 4.15 7.64 -1.26 -3.74 113.62 113.53 2dzm n SER 62 Ca -0.02 -1.54 -0.33 0.00 1.01 0.00 0.00 58.87 57.99 2dzm n SER 62 Cb 0.26 -0.03 -0.06 0.00 -1.01 0.00 0.00 64.21 63.37 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 -1.95 5.00 0.11 0.44 2.01 0.17 -5.02 115.64 116.40 2dzm s THR 63 Ca 0.26 -0.33 0.01 0.00 0.31 0.00 0.00 61.69 61.95 2dzm s THR 63 Cb 0.13 -3.31 -0.04 0.00 0.01 0.00 0.00 72.50 69.29 2dzm s THR 63 CO 0.21 0.33 0.26 0.54 -0.69 0.00 0.00 174.62 175.26 2dzm s VAL 64 N -1.25 5.35 0.09 3.82 0.11 -1.26 -1.14 120.40 126.11 2dzm s VAL 64 Ca 0.25 -0.52 -0.30 0.00 -2.93 0.00 0.00 61.98 58.48 2dzm s VAL 64 Cb -0.12 -3.69 -0.15 0.00 -1.53 0.00 0.00 36.38 30.89 2dzm s VAL 64 CO 0.16 0.01 1.65 -0.07 -3.33 0.00 0.00 175.10 173.52 2dzm h LEU 65 N 2.58 -0.66 -1.03 2.54 3.38 -1.57 -1.46 115.31 119.09 2dzm h LEU 65 Ca -0.47 0.04 0.07 0.00 0.09 0.00 0.00 57.88 57.61 2dzm h LEU 65 Cb 1.18 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 2dzm h LEU 65 CO 0.72 -0.41 0.77 0.07 0.09 0.00 0.00 178.44 179.68 2dzm h LYS 66 N -0.64 0.00 -0.03 1.13 2.10 -1.12 0.48 116.57 118.49 2dzm h LYS 66 Ca -0.04 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.58 2dzm h LYS 66 Cb 0.53 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 2dzm h LYS 66 CO 0.03 0.00 -0.10 1.03 -2.00 0.00 0.00 179.45 178.41 2dzm h SER 67 N 0.00 0.14 1.29 7.07 0.87 -1.55 -3.26 113.55 118.10 2dzm h SER 67 Ca 0.11 -0.64 -0.11 0.00 -1.23 0.00 0.00 61.79 59.92 2dzm h SER 67 Cb 1.64 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 63.55 2dzm h SER 67 CO -0.00 0.75 -0.52 -0.07 -0.53 0.00 0.00 176.83 176.46 2dzm h LEU 68 N -0.47 0.00 -2.03 2.23 3.38 -0.17 -3.48 115.31 114.76 2dzm h LEU 68 Ca -0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 2dzm h LEU 68 Cb 0.74 0.00 0.17 0.00 0.09 0.00 0.00 40.66 41.67 2dzm h LEU 68 CO 0.02 0.52 -0.77 1.41 0.09 0.00 0.00 178.44 179.71 2dzm n HIS 69 N -3.31 -2.20 -1.68 1.13 8.25 0.20 -4.93 115.22 112.69 2dzm n HIS 69 Ca 0.01 0.86 -0.39 0.00 -0.26 0.00 0.00 57.72 57.94 2dzm n HIS 69 Cb 0.70 -4.53 0.04 0.00 1.12 0.00 0.00 29.99 27.32 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 -3.59 4.25 -4.75 2.41 7.99 -1.26 -4.97 117.00 117.07 2dzm n LEU 70 Ca -0.18 0.95 -0.31 0.00 -0.01 0.00 0.00 56.01 56.47 2dzm n LEU 70 Cb 0.64 -1.47 0.11 0.00 -0.11 0.00 0.00 43.42 42.59 2dzm n LEU 70 CO 0.57 -1.13 0.69 -2.16 -1.51 0.00 0.00 177.39 173.85 2dzm s PRO 71 N -2.60 1.93 0.20 3.23 0.04 -1.26 -4.93 135.00 131.62 2dzm s PRO 71 Ca 0.70 1.05 -0.20 0.00 0.04 0.00 0.00 61.00 62.59 2dzm s PRO 71 Cb -0.45 -1.87 0.16 0.00 0.04 0.00 0.00 34.50 32.38 2dzm s PRO 71 CO 0.51 -1.84 1.57 -0.22 0.04 0.00 0.00 177.00 177.07 2dzm h LYS 72 N -1.26 -0.10 -5.00 4.56 3.64 -1.93 -3.36 116.57 113.12 2dzm h LYS 72 Ca -0.45 0.01 -0.63 0.00 -1.27 0.00 0.00 60.65 58.30 2dzm h LYS 72 Cb 1.25 0.02 -0.16 0.00 -0.41 0.00 0.00 32.23 32.93 2dzm h LYS 72 CO 0.52 -0.06 -0.52 0.54 -2.27 0.00 0.00 179.45 177.66 2dzm s ASN 73 N -5.25 6.01 0.25 4.20 4.22 -1.26 -3.08 114.94 120.03 2dzm s ASN 73 Ca -0.14 0.04 0.11 0.00 -2.14 0.00 0.00 52.86 50.73 2dzm s ASN 73 Cb 0.17 -2.10 -0.05 0.00 1.28 0.00 0.00 41.25 40.56 2dzm s ASN 73 CO 0.70 0.01 -0.18 0.20 -2.04 0.00 0.00 177.10 175.79 2dzm s ASN 74 N 1.38 3.72 -0.24 3.54 0.01 -0.87 -5.01 114.94 117.46 2dzm s ASN 74 Ca 0.07 -0.91 -0.03 0.00 -0.71 0.00 0.00 52.86 51.29 2dzm s ASN 74 Cb -0.15 -0.39 0.10 0.00 0.41 0.00 0.00 41.25 41.23 2dzm s ASN 74 CO 0.07 0.06 0.21 -0.94 -1.51 0.00 0.00 177.10 175.00 2dzm s SER 75 N -3.26 1.96 0.55 -1.22 1.04 -1.26 -2.07 113.70 109.44 2dzm s SER 75 Ca 0.27 -0.62 0.04 0.00 0.48 0.00 0.00 55.95 56.13 2dzm s SER 75 Cb -0.06 0.23 0.03 0.00 0.10 0.00 0.00 66.02 66.32 2dzm s SER 75 CO 0.14 -0.37 0.31 -0.76 0.98 0.00 0.00 173.24 173.54 2dzm s LEU 76 N 2.28 2.52 -0.13 2.42 1.43 0.96 -4.93 118.68 123.24 2dzm s LEU 76 Ca 0.08 -1.39 -0.20 0.00 -1.03 0.00 0.00 54.13 51.58 2dzm s LEU 76 Cb -0.15 -1.01 0.05 0.00 0.03 0.00 0.00 46.19 45.10 2dzm s LEU 76 CO -0.23 -1.10 0.51 -0.72 0.23 0.00 0.00 176.35 175.05 2dzm s TYR 77 N -2.83 -0.51 -0.14 0.29 1.13 -1.25 -0.39 117.35 113.65 2dzm s TYR 77 Ca 0.25 1.11 -0.04 0.00 -1.41 0.00 0.00 57.07 56.98 2dzm s TYR 77 Cb -0.02 0.22 -0.03 0.00 -1.10 0.00 0.00 41.96 41.03 2dzm s TYR 77 CO 0.15 -0.37 -0.01 0.08 -2.51 0.00 0.00 175.55 172.89 2dzm s VAL 78 N -0.38 4.12 -0.31 -3.49 1.01 -1.18 -3.49 120.40 116.69 2dzm s VAL 78 Ca -0.05 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.65 2dzm s VAL 78 Cb -0.03 -2.79 0.07 0.00 0.00 0.00 0.00 36.38 33.63 2dzm s VAL 78 CO 0.03 0.52 0.00 -0.76 0.00 0.00 0.00 175.10 174.89 2dzm s LEU 79 N 0.03 4.15 -0.65 3.92 1.43 -1.22 -4.60 118.68 121.74 2dzm s LEU 79 Ca 0.02 -1.64 -0.11 0.00 -1.03 0.00 0.00 54.13 51.36 2dzm s LEU 79 Cb -0.13 -1.65 0.17 0.00 0.03 0.00 0.00 46.19 44.61 2dzm s LEU 79 CO 0.02 -0.30 0.55 0.42 0.23 0.00 0.00 176.35 177.27 2dzm s THR 80 N 1.09 4.87 -0.02 5.49 -4.23 -1.26 -3.33 115.64 118.26 2dzm s THR 80 Ca -0.01 -2.18 -0.26 0.00 -1.18 0.00 0.00 61.69 58.06 2dzm s THR 80 Cb -0.20 -4.10 -0.20 0.00 1.34 0.00 0.00 72.50 69.34 2dzm s THR 80 CO -0.05 -0.91 1.26 1.55 -0.54 0.00 0.00 174.62 175.94 2dzm h PRO 81 N 8.05 -0.01 -0.07 3.99 0.13 -1.98 -3.30 132.00 138.82 2dzm h PRO 81 Ca -0.08 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.07 2dzm h PRO 81 Cb 1.05 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 2dzm h PRO 81 CO 0.83 0.48 -0.05 -0.44 -0.23 0.00 0.00 178.00 178.60 2dzm h ASP 82 N -0.50 -0.15 -2.68 1.44 3.32 -1.91 -3.42 116.42 112.52 2dzm h ASP 82 Ca -0.00 0.04 -0.52 0.00 0.02 0.00 0.00 57.03 56.56 2dzm h ASP 82 Cb 0.49 0.08 0.06 0.00 0.22 0.00 0.00 39.33 40.18 2dzm h ASP 82 CO 0.00 -0.07 1.00 -0.76 -1.72 0.00 0.00 179.24 177.70 2dzm s LEU 83 N -10.30 4.37 0.51 1.55 1.02 -1.24 -4.96 118.68 109.63 2dzm s LEU 83 Ca -0.13 2.83 -0.21 0.00 0.02 0.00 0.00 54.13 56.64 2dzm s LEU 83 Cb 0.08 -3.60 -0.06 0.00 0.02 0.00 0.00 46.19 42.63 2dzm s LEU 83 CO 0.67 -0.96 1.14 -2.16 0.02 0.00 0.00 176.35 175.07 2dzm s PRO 84 N 1.25 3.52 0.05 1.29 0.04 -1.26 -4.92 135.00 134.97 2dzm s PRO 84 Ca 0.74 1.68 -0.31 0.00 0.04 0.00 0.00 61.00 63.16 2dzm s PRO 84 Cb -0.49 -2.17 -0.07 0.00 0.04 0.00 0.00 34.50 31.82 2dzm s PRO 84 CO 0.32 -0.72 1.41 -1.25 0.04 0.00 0.00 177.00 176.80 2dzm s PRO 85 N -3.04 4.30 -0.72 0.56 0.04 -1.26 -4.94 135.00 129.93 2dzm s PRO 85 Ca 0.69 2.03 -0.26 0.00 0.04 0.00 0.00 61.00 63.50 2dzm s PRO 85 Cb -0.26 -3.44 -0.03 0.00 0.04 0.00 0.00 34.50 30.81 2dzm s PRO 85 CO 0.30 -0.52 1.90 -1.25 0.04 0.00 0.00 177.00 177.46 2dzm s PRO 86 N 1.88 2.59 -0.17 0.56 0.04 -1.26 -4.80 135.00 133.85 2dzm s PRO 86 Ca 0.65 0.27 -0.20 0.00 0.04 0.00 0.00 61.00 61.76 2dzm s PRO 86 Cb -0.34 -4.64 -0.22 0.00 0.04 0.00 0.00 34.50 29.34 2dzm s PRO 86 CO 0.28 -2.98 0.36 1.03 0.04 0.00 0.00 177.00 175.73 2dzm h SER 87 N 13.61 0.11 -4.24 6.66 0.87 -2.05 -3.48 113.55 125.03 2dzm h SER 87 Ca -0.13 -0.67 -0.53 0.00 -1.23 0.00 0.00 61.79 59.23 2dzm h SER 87 Cb 1.10 -0.04 0.19 0.00 -0.44 0.00 0.00 62.40 63.22 2dzm h SER 87 CO 1.21 1.49 0.29 -0.44 -0.53 0.00 0.00 176.83 178.85 2dzm s SER 88 N -6.83 3.28 -1.16 6.23 0.01 -1.26 -4.86 113.70 109.12 2dzm s SER 88 Ca -0.25 2.29 -0.21 0.00 1.31 0.00 0.00 55.95 59.08 2dzm s SER 88 Cb 0.05 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.72 2dzm s SER 88 CO 0.65 -2.87 1.73 -0.55 0.41 0.00 0.00 173.24 172.61 2dzm s SER 89 N -2.40 6.19 1.04 2.44 0.15 -1.26 -4.97 113.70 114.89 2dzm s SER 89 Ca 0.70 -1.84 -0.15 0.00 0.70 0.00 0.00 55.95 55.37 2dzm s SER 89 Cb -0.26 -2.58 0.21 0.00 -1.71 0.00 0.00 66.02 61.68 2dzm s SER 89 CO 0.54 -1.83 1.13 -0.44 1.20 0.00 0.00 173.24 173.84 2dzm s SER 90 N 5.32 2.37 0.64 5.45 0.01 -1.26 -5.03 113.70 121.20 2dzm s SER 90 Ca 0.57 0.85 -0.11 0.00 1.31 0.00 0.00 55.95 58.57 2dzm s SER 90 Cb 0.01 -1.30 -0.02 0.00 0.21 0.00 0.00 66.02 64.91 2dzm s SER 90 CO 0.04 -3.25 1.04 -1.00 0.41 0.00 0.00 173.24 170.48 2dzm s HIS 91 N -3.16 3.42 -0.15 2.43 3.76 -1.26 -5.03 115.29 115.30 2dzm s HIS 91 Ca 0.67 1.35 -0.10 0.00 -0.15 0.00 0.00 55.06 56.83 2dzm s HIS 91 Cb -0.13 -2.79 -0.06 0.00 1.11 0.00 0.00 32.58 30.70 2dzm s HIS 91 CO 0.55 -0.88 -0.24 0.00 -0.85 0.00 0.00 174.74 173.32 2dzm n ALA 92 N -2.82 1.71 -3.64 -1.40 0.00 -1.26 -5.08 120.51 108.02 2dzm n ALA 92 Ca 0.07 -0.66 -0.09 0.00 0.00 0.00 0.00 53.44 52.76 2dzm n ALA 92 Cb 0.54 0.20 -0.07 0.00 0.00 0.00 0.00 19.45 20.12 2dzm n ALA 92 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2dzm s GLY 93 N -5.05 -0.19 0.32 0.00 0.00 -1.26 -5.14 107.32 96.00 2dzm s GLY 93 Ca -0.23 2.67 -0.29 0.00 0.00 0.00 0.00 44.72 46.87 2dzm s GLY 93 CO 0.31 1.95 1.41 0.00 0.00 0.00 0.00 173.10 176.78 2dzm n ALA 94 N 2.55 1.70 -1.44 3.20 0.00 -1.26 -4.78 120.51 120.47 2dzm n ALA 94 Ca -0.14 0.37 -0.49 0.00 0.00 0.00 0.00 53.44 53.18 2dzm n ALA 94 Cb 0.56 -2.33 -0.08 0.00 0.00 0.00 0.00 19.45 17.60 2dzm n ALA 94 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2dzm n LEU 95 N 1.27 1.84 -3.75 0.00 0.00 -1.26 -4.91 117.00 110.20 2dzm n LEU 95 Ca 0.06 0.32 -0.27 0.00 0.00 0.00 0.00 56.01 56.12 2dzm n LEU 95 Cb 0.36 -1.23 -0.17 0.00 0.00 0.00 0.00 43.42 42.38 2dzm n LEU 95 CO 0.63 -0.82 -0.37 -1.58 0.00 0.00 0.00 177.39 175.25 2dzm s GLN 96 N 6.68 0.71 -0.01 1.96 0.74 -1.26 -5.11 119.66 123.37 2dzm s GLN 96 Ca 1.12 -0.39 -0.30 0.00 0.05 0.00 0.00 55.36 55.84 2dzm s GLN 96 Cb -0.89 -2.01 -0.06 0.00 1.10 0.00 0.00 33.01 31.15 2dzm s GLN 96 CO 0.48 -0.60 1.64 -1.21 -0.55 0.00 0.00 175.29 175.05 2dzm s GLU 97 N 1.85 4.20 0.08 1.67 2.02 -1.26 -4.92 118.70 122.33 2dzm s GLU 97 Ca -0.00 2.22 -0.32 0.00 0.02 0.00 0.00 54.97 56.88 2dzm s GLU 97 Cb -0.17 -3.85 -0.17 0.00 0.10 0.00 0.00 34.13 30.05 2dzm s GLU 97 CO -0.08 -0.79 1.63 0.77 0.02 0.00 0.00 175.26 176.81 2dzm h SER 98 N 9.07 -0.80 -3.45 -0.19 0.02 -2.02 -3.43 113.55 112.75 2dzm h SER 98 Ca -0.40 0.04 -0.46 0.00 -0.84 0.00 0.00 61.79 60.13 2dzm h SER 98 Cb 1.19 0.23 0.09 0.00 0.14 0.00 0.00 62.40 64.04 2dzm h SER 98 CO 0.94 -0.52 0.21 -0.76 -1.14 0.00 0.00 176.83 175.57 2dzm s LEU 99 N -10.10 2.87 0.00 5.07 1.02 -1.26 -5.36 118.68 110.91 2dzm s LEU 99 Ca -0.17 0.27 0.00 0.00 0.02 0.00 0.00 54.13 54.25 2dzm s LEU 99 Cb 0.04 -2.82 0.00 0.00 0.02 0.00 0.00 46.19 43.43 2dzm s LEU 99 CO 0.62 -1.74 0.20 -3.20 0.02 0.00 0.00 176.35 172.26