#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 4.51 0.33 1.61 0.01 -1.26 -4.99 113.70 113.92 2dzm s SER 2 Ca 0.00 -1.95 0.10 0.00 1.31 0.00 0.00 55.95 55.41 2dzm s SER 2 Cb 0.00 -1.40 1.00 0.00 0.21 0.00 0.00 66.02 65.84 2dzm s SER 2 CO 0.00 -0.38 1.58 -1.28 0.41 0.00 0.00 173.24 173.57 2dzm h SER 3 N 7.76 -0.13 -4.01 2.44 0.87 -2.11 -3.47 113.55 114.91 2dzm h SER 3 Ca -0.08 0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2dzm h SER 3 Cb 1.02 0.39 0.00 0.00 -0.44 0.00 0.00 62.40 63.37 2dzm h SER 3 CO 0.50 -0.38 -0.04 0.61 -0.53 0.00 0.00 176.83 176.98 2dzm n GLY 4 N -1.40 -3.32 2.07 5.77 0.00 -1.26 -4.70 105.19 102.35 2dzm n GLY 4 Ca 0.29 -0.99 -0.15 0.00 0.00 0.00 0.00 46.02 45.17 2dzm n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dzm n SER 5 N -0.59 5.66 -0.22 1.61 7.64 -1.26 -4.62 113.62 121.84 2dzm n SER 5 Ca 0.00 -2.70 0.03 0.00 1.01 0.00 0.00 58.87 57.20 2dzm n SER 5 Cb 0.00 -1.32 0.13 0.00 -1.01 0.00 0.00 64.21 62.01 2dzm n SER 5 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2dzm h SER 6 N 2.68 -0.21 0.00 6.43 0.87 -1.99 -3.41 113.55 117.92 2dzm h SER 6 Ca 0.23 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 2dzm h SER 6 Cb 1.21 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.43 2dzm h SER 6 CO 0.41 -0.10 0.00 0.61 -0.53 0.00 0.00 176.83 177.22 2dzm n GLY 7 N -1.37 -0.19 3.25 5.77 0.00 -1.26 -5.09 105.19 106.30 2dzm n GLY 7 Ca 0.11 -0.93 -0.18 0.00 0.00 0.00 0.00 46.02 45.03 2dzm n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2dzm s ARG 8 N 0.00 1.04 0.20 1.61 1.70 -1.26 -5.12 118.95 117.11 2dzm s ARG 8 Ca 0.00 -1.27 -0.16 0.00 -0.47 0.00 0.00 55.73 53.83 2dzm s ARG 8 Cb 0.00 -0.89 -0.08 0.00 -0.57 0.00 0.00 34.95 33.42 2dzm s ARG 8 CO 0.00 0.16 0.62 -1.64 -1.08 0.00 0.00 175.30 173.37 2dzm s MET 9 N -2.80 4.05 -0.23 3.89 -1.94 -1.26 -3.93 119.30 117.08 2dzm s MET 9 Ca 0.10 0.61 -0.02 0.00 -1.71 0.00 0.00 55.69 54.66 2dzm s MET 9 Cb -0.04 -2.84 0.01 0.00 2.01 0.00 0.00 34.83 33.97 2dzm s MET 9 CO 0.03 0.40 -0.07 -0.51 -0.01 0.00 0.00 175.02 174.86 2dzm s LEU 10 N -2.14 2.91 -0.22 -0.03 1.43 -1.17 -4.94 118.68 114.50 2dzm s LEU 10 Ca 0.42 -0.64 -0.27 0.00 -1.03 0.00 0.00 54.13 52.61 2dzm s LEU 10 Cb -0.15 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.41 2dzm s LEU 10 CO 0.20 -0.06 0.94 -0.62 0.23 0.00 0.00 176.35 177.04 2dzm s ASP 11 N 1.39 7.00 -0.20 2.29 -1.08 -1.23 -3.09 116.67 121.75 2dzm s ASP 11 Ca 0.03 1.24 0.01 0.00 -0.52 0.00 0.00 52.55 53.32 2dzm s ASP 11 Cb -0.15 -2.50 0.03 0.00 -1.46 0.00 0.00 42.92 38.85 2dzm s ASP 11 CO -0.05 -0.58 -0.16 -0.36 0.52 0.00 0.00 175.17 174.53 2dzm s PHE 12 N 2.94 2.77 -0.48 -5.34 0.40 -0.11 -2.00 117.98 116.16 2dzm s PHE 12 Ca 0.40 -1.74 -0.18 0.00 -0.60 0.00 0.00 56.93 54.81 2dzm s PHE 12 Cb -0.15 -1.85 0.05 0.00 0.51 0.00 0.00 43.02 41.58 2dzm s PHE 12 CO 0.07 -0.80 0.55 0.50 0.70 0.00 0.00 175.22 176.24 2dzm s ARG 13 N 1.29 3.10 -0.56 0.44 6.06 -0.99 -0.58 118.95 127.70 2dzm s ARG 13 Ca 0.01 -0.93 -0.20 0.00 -2.50 0.00 0.00 55.73 52.12 2dzm s ARG 13 Cb -0.15 -4.07 0.08 0.00 0.06 0.00 0.00 34.95 30.87 2dzm s ARG 13 CO -0.10 -1.11 0.71 0.08 -2.50 0.00 0.00 175.30 172.38 2dzm s VAL 14 N 2.36 4.77 -0.59 7.11 1.01 0.01 0.10 120.40 135.18 2dzm s VAL 14 Ca 0.13 -0.67 -0.28 0.00 0.00 0.00 0.00 61.98 61.16 2dzm s VAL 14 Cb -0.20 -4.43 0.03 0.00 0.00 0.00 0.00 36.38 31.78 2dzm s VAL 14 CO 0.12 -1.03 1.18 -0.70 0.00 0.00 0.00 175.10 174.66 2dzm s GLU 15 N 2.86 3.48 0.19 2.72 2.12 0.60 -1.65 118.70 129.02 2dzm s GLU 15 Ca 0.15 0.18 0.11 0.00 0.36 0.00 0.00 54.97 55.76 2dzm s GLU 15 Cb -0.21 -4.03 -0.04 0.00 0.26 0.00 0.00 34.13 30.11 2dzm s GLU 15 CO 0.09 -1.70 -0.22 -0.47 -0.54 0.00 0.00 175.26 172.43 2dzm s TYR 16 N 4.92 2.17 0.00 5.30 5.04 -0.73 -3.18 117.35 130.87 2dzm s TYR 16 Ca 0.41 -0.39 -0.00 0.00 -2.44 0.00 0.00 57.07 54.66 2dzm s TYR 16 Cb -0.08 -1.06 -0.00 0.00 0.35 0.00 0.00 41.96 41.17 2dzm s TYR 16 CO 0.24 0.48 0.70 0.54 -1.34 0.00 0.00 175.55 176.17 2dzm n ARG 17 N 0.19 -0.00 -0.34 4.97 3.00 -1.26 -0.55 116.66 122.67 2dzm n ARG 17 Ca -0.12 0.70 -0.11 0.00 -0.01 0.00 0.00 57.85 58.31 2dzm n ARG 17 Cb 0.57 -1.05 -0.09 0.00 0.00 0.00 0.00 32.46 31.88 2dzm n ARG 17 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.63 178.01 2dzm h ASP 18 N 0.00 -2.06 -5.74 0.55 2.03 -1.97 -3.46 116.42 105.77 2dzm h ASP 18 Ca 0.00 0.31 0.31 0.00 -0.73 0.00 0.00 57.03 56.91 2dzm h ASP 18 Cb 0.00 0.90 -0.06 0.00 -0.83 0.00 0.00 39.33 39.34 2dzm h ASP 18 CO -0.01 -0.28 0.84 0.00 -1.03 0.00 0.00 179.24 178.76 2dzm s ARG 19 N -5.56 0.58 -0.42 4.15 1.70 0.29 -5.12 118.95 114.57 2dzm s ARG 19 Ca -0.13 -0.37 -0.17 0.00 -0.47 0.00 0.00 55.73 54.59 2dzm s ARG 19 Cb 0.11 0.16 0.02 0.00 -0.57 0.00 0.00 34.95 34.67 2dzm s ARG 19 CO 0.62 -0.27 0.41 -0.80 -1.08 0.00 0.00 175.30 174.18 2dzm s ASN 20 N -3.69 6.18 0.04 -2.89 0.01 -1.26 -1.78 114.94 111.54 2dzm s ASN 20 Ca 0.27 -0.71 -0.10 0.00 -0.71 0.00 0.00 52.86 51.61 2dzm s ASN 20 Cb -0.01 -2.21 -0.05 0.00 0.41 0.00 0.00 41.25 39.39 2dzm s ASN 20 CO 0.00 -0.55 0.37 0.54 -1.51 0.00 0.00 177.10 175.95 2dzm s VAL 21 N 2.04 5.13 -0.00 1.60 0.11 -0.66 -4.86 120.40 123.77 2dzm s VAL 21 Ca 0.11 0.50 -0.08 0.00 -2.93 0.00 0.00 61.98 59.57 2dzm s VAL 21 Cb -0.17 -3.64 -0.05 0.00 -1.53 0.00 0.00 36.38 30.99 2dzm s VAL 21 CO 0.13 0.40 0.28 -0.62 -3.33 0.00 0.00 175.10 171.96 2dzm s ASP 22 N -1.53 6.54 0.07 3.54 -1.08 -1.26 -0.81 116.67 122.15 2dzm s ASP 22 Ca 0.29 0.63 0.06 0.00 -0.52 0.00 0.00 52.55 53.00 2dzm s ASP 22 Cb -0.14 -2.12 -0.03 0.00 -1.46 0.00 0.00 42.92 39.17 2dzm s ASP 22 CO 0.16 0.28 -0.15 -0.69 0.52 0.00 0.00 175.17 175.28 2dzm s VAL 23 N -1.24 1.20 -0.09 1.11 1.01 0.25 -4.96 120.40 117.69 2dzm s VAL 23 Ca 0.26 -1.33 -0.02 0.00 0.00 0.00 0.00 61.98 60.89 2dzm s VAL 23 Cb -0.14 -1.14 0.03 0.00 0.00 0.00 0.00 36.38 35.13 2dzm s VAL 23 CO 0.14 -0.19 0.01 -0.69 0.00 0.00 0.00 175.10 174.37 2dzm s VAL 24 N -1.24 0.37 -0.19 2.92 1.01 -1.26 -0.93 120.40 121.08 2dzm s VAL 24 Ca -0.01 0.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.88 2dzm s VAL 24 Cb -0.10 -0.60 0.06 0.00 0.00 0.00 0.00 36.38 35.74 2dzm s VAL 24 CO 0.03 0.17 0.47 -1.48 0.00 0.00 0.00 175.10 174.29 2dzm s LEU 25 N 1.97 -0.24 0.85 3.92 2.34 -1.18 -4.90 118.68 121.44 2dzm s LEU 25 Ca 0.04 1.03 -0.13 0.00 0.06 0.00 0.00 54.13 55.12 2dzm s LEU 25 Cb -0.13 1.59 0.05 0.00 -0.56 0.00 0.00 46.19 47.13 2dzm s LEU 25 CO -0.06 -0.20 0.76 1.21 -1.06 0.00 0.00 176.35 177.00 2dzm n GLU 26 N 4.13 -0.03 0.00 1.48 2.13 -1.26 -3.05 120.64 124.04 2dzm n GLU 26 Ca -0.22 0.05 0.02 0.00 0.66 0.00 0.00 57.16 57.67 2dzm n GLU 26 Cb 0.56 -2.08 0.09 0.00 0.27 0.00 0.00 31.44 30.28 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 -1.99 0.00 0.10 4.31 5.68 -1.25 -1.51 116.55 121.89 2dzm n ASP 27 Ca 0.10 0.43 -0.04 0.00 -0.50 0.00 0.00 54.79 54.78 2dzm n ASP 27 Cb 0.52 -0.45 0.04 0.00 -1.14 0.00 0.00 41.12 40.09 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 1.55 -4.19 2.12 1.35 -1.92 0.14 112.91 111.96 2dzm h THR 28 Ca 0.00 -2.66 -0.53 0.00 -0.55 0.00 0.00 66.41 62.67 2dzm h THR 28 Cb 0.06 2.44 0.15 0.00 -1.73 0.00 0.00 68.15 69.07 2dzm h THR 28 CO 0.00 0.76 0.37 0.00 -0.25 0.00 0.00 175.52 176.41 2dzm s THR 30 N -2.11 4.80 0.57 0.00 2.01 -1.26 -2.47 115.64 117.18 2dzm s THR 30 Ca 0.72 0.78 0.30 0.00 0.31 0.00 0.00 61.69 63.80 2dzm s THR 30 Cb -0.27 -3.67 0.43 0.00 0.01 0.00 0.00 72.50 69.00 2dzm s THR 30 CO 0.46 -0.00 1.87 -0.37 -0.69 0.00 0.00 174.62 175.89 2dzm h VAL 31 N 2.25 0.44 -0.49 3.82 -1.51 -0.97 0.13 116.25 119.93 2dzm h VAL 31 Ca -0.48 0.00 -0.08 0.00 -1.23 0.00 0.00 66.70 64.91 2dzm h VAL 31 Cb 1.18 0.57 -0.02 0.00 -2.13 0.00 0.00 31.29 30.89 2dzm h VAL 31 CO 0.67 0.00 -0.04 1.23 -1.23 0.00 0.00 177.57 178.20 2dzm h GLY 32 N 0.00 0.90 -0.11 5.19 0.00 -1.77 -3.21 103.07 104.07 2dzm h GLY 32 Ca 0.32 -0.64 0.04 0.00 0.00 0.00 0.00 47.33 47.06 2dzm h GLY 32 CO -0.00 0.59 -0.49 -2.09 0.00 0.00 0.00 176.54 174.54 2dzm h GLU 33 N 0.77 -0.50 -0.82 4.80 4.57 -1.06 -0.27 114.58 122.06 2dzm h GLU 33 Ca 0.14 0.03 0.32 0.00 -1.18 0.00 0.00 59.36 58.68 2dzm h GLU 33 Cb 0.51 0.11 -0.12 0.00 -0.16 0.00 0.00 28.75 29.09 2dzm h GLU 33 CO 0.03 -0.34 0.47 -0.89 -1.18 0.00 0.00 179.01 177.10 2dzm n ILE 34 N -5.43 -0.27 0.18 2.32 5.41 -1.21 -0.21 119.36 120.14 2dzm n ILE 34 Ca -0.05 1.45 -0.07 0.00 1.00 0.00 0.00 62.75 65.09 2dzm n ILE 34 Cb 0.37 -2.37 -0.03 0.00 -0.71 0.00 0.00 39.64 36.90 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 -0.44 -0.92 0.38 1.57 -1.19 -1.88 116.57 114.10 2dzm h LYS 35 Ca 0.64 0.03 0.13 0.00 -1.87 0.00 0.00 60.65 59.57 2dzm h LYS 35 Cb 1.79 0.10 -0.07 0.00 0.08 0.00 0.00 32.23 34.13 2dzm h LYS 35 CO -0.50 -0.29 0.59 0.37 -0.57 0.00 0.00 179.45 179.04 2dzm h GLN 36 N -0.50 0.79 0.03 3.15 5.75 -0.56 -2.12 115.11 121.65 2dzm h GLN 36 Ca -0.05 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.43 2dzm h GLN 36 Cb 0.35 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.69 2dzm h GLN 36 CO 0.08 0.52 -0.19 0.82 -2.65 0.00 0.00 178.83 177.41 2dzm h ILE 37 N 0.81 0.56 -0.70 2.39 2.04 -0.58 -1.06 117.51 120.97 2dzm h ILE 37 Ca 0.45 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.52 2dzm h ILE 37 Cb 0.59 0.56 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 2dzm h ILE 37 CO -0.22 0.00 0.51 -0.07 0.00 0.00 0.00 178.15 178.38 2dzm h LEU 38 N -0.32 0.00 -0.65 1.44 3.38 -0.64 0.23 115.31 118.75 2dzm h LEU 38 Ca 0.05 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 2dzm h LEU 38 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2dzm h LEU 38 CO -0.15 0.00 -0.47 -0.08 0.09 0.00 0.00 178.44 177.83 2dzm h GLU 39 N 0.00 0.50 0.00 1.13 4.22 -1.06 0.88 114.58 120.25 2dzm h GLU 39 Ca 0.33 -0.28 0.00 0.00 0.08 0.00 0.00 59.36 59.50 2dzm h GLU 39 Cb 1.36 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.63 2dzm h GLU 39 CO -0.00 0.86 0.00 0.09 -2.18 0.00 0.00 179.01 177.78 2dzm n ASN 40 N -3.99 0.00 0.00 1.04 4.13 0.79 0.22 115.26 117.44 2dzm n ASN 40 Ca -0.02 0.13 0.00 0.00 1.68 0.00 0.00 54.58 56.37 2dzm n ASN 40 Cb 0.55 -0.33 0.00 0.00 -1.54 0.00 0.00 39.78 38.46 2dzm n ASN 40 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2dzm n GLU 41 N -1.33 2.24 0.00 3.52 -0.58 -0.97 -4.72 120.64 118.80 2dzm n GLU 41 Ca 0.08 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.85 2dzm n GLU 41 Cb 0.16 -0.97 0.01 0.00 -0.57 0.00 0.00 31.44 30.08 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 -1.68 1.22 -1.96 -4.62 4.77 0.30 -4.58 117.00 110.46 2dzm n LEU 42 Ca 0.00 -0.88 -0.15 0.00 -0.03 0.00 0.00 56.01 54.95 2dzm n LEU 42 Cb 0.26 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 2dzm n LEU 42 CO 0.00 0.26 -0.17 0.00 -1.33 0.00 0.00 177.39 176.15 2dzm n GLN 43 N -0.00 -1.72 -3.97 3.23 3.00 0.59 -4.94 117.38 113.57 2dzm n GLN 43 Ca 0.03 0.79 -0.36 0.00 -0.01 0.00 0.00 57.00 57.46 2dzm n GLN 43 Cb 0.14 -5.25 -0.08 0.00 0.00 0.00 0.00 30.24 25.05 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 -2.51 5.13 0.33 5.09 1.01 -1.23 -5.01 121.20 124.01 2dzm s ILE 44 Ca 0.00 0.08 -0.28 0.00 0.00 0.00 0.00 60.65 60.44 2dzm s ILE 44 Cb 0.00 -3.26 -0.10 0.00 0.01 0.00 0.00 42.46 39.12 2dzm s ILE 44 CO 0.00 0.56 1.22 -2.16 0.00 0.00 0.00 174.94 174.55 2dzm s PRO 45 N -0.50 4.38 0.39 2.79 0.04 -1.26 -4.01 135.00 136.82 2dzm s PRO 45 Ca 0.11 2.02 0.15 0.00 0.04 0.00 0.00 61.00 63.33 2dzm s PRO 45 Cb -0.12 -3.03 0.79 0.00 0.04 0.00 0.00 34.50 32.18 2dzm s PRO 45 CO 0.02 -0.10 1.83 0.28 0.04 0.00 0.00 177.00 179.07 2dzm h VAL 46 N 2.91 1.12 0.00 -0.36 2.07 -1.89 -2.04 116.25 118.07 2dzm h VAL 46 Ca -0.48 -1.27 -0.01 0.00 0.82 0.00 0.00 66.70 65.76 2dzm h VAL 46 Cb 1.22 1.71 -0.00 0.00 -1.52 0.00 0.00 31.29 32.70 2dzm h VAL 46 CO 0.65 0.35 -0.05 0.77 0.02 0.00 0.00 177.57 179.31 2dzm h SER 47 N 0.00 0.00 0.05 0.57 4.64 -2.00 -2.50 113.55 114.31 2dzm h SER 47 Ca -0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 2dzm h SER 47 Cb 0.68 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.72 2dzm h SER 47 CO 0.05 0.05 -2.22 0.29 -0.87 0.00 0.00 176.83 174.13 2dzm n LYS 48 N -3.37 0.68 -3.00 4.77 4.76 -0.94 -4.95 118.16 116.11 2dzm n LYS 48 Ca -0.02 -0.04 -0.36 0.00 -2.87 0.00 0.00 58.31 55.02 2dzm n LYS 48 Cb 0.20 -1.54 -0.06 0.00 -1.84 0.00 0.00 35.03 31.78 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 -2.80 4.36 -0.33 1.97 -1.94 -0.81 -4.43 119.30 115.32 2dzm s MET 49 Ca -0.09 1.02 0.03 0.00 -1.71 0.00 0.00 55.69 54.94 2dzm s MET 49 Cb 0.08 -2.86 0.10 0.00 2.01 0.00 0.00 34.83 34.17 2dzm s MET 49 CO 0.85 0.36 0.06 -0.51 -0.01 0.00 0.00 175.02 175.77 2dzm s LEU 50 N -1.99 4.23 0.00 -0.03 1.43 -1.22 -4.86 118.68 116.24 2dzm s LEU 50 Ca 0.45 -2.05 -0.30 0.00 -1.03 0.00 0.00 54.13 51.20 2dzm s LEU 50 Cb -0.17 -1.47 -0.08 0.00 0.03 0.00 0.00 46.19 44.50 2dzm s LEU 50 CO 0.22 -0.39 1.84 -0.22 0.23 0.00 0.00 176.35 178.03 2dzm s LEU 51 N 1.05 4.39 0.28 1.79 1.98 -1.26 -3.65 118.68 123.26 2dzm s LEU 51 Ca 0.11 2.50 0.02 0.00 -2.89 0.00 0.00 54.13 53.86 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 -0.12 -1.00 0.25 -0.54 -1.89 0.00 0.00 176.35 173.06 2dzm s LYS 52 N 4.27 1.55 0.00 1.98 1.02 -1.24 -4.91 119.74 122.41 2dzm s LYS 52 Ca 0.82 -1.80 0.00 0.00 0.02 0.00 0.00 55.97 55.01 2dzm s LYS 52 Cb -0.39 0.33 0.00 0.00 -0.52 0.00 0.00 37.83 37.25 2dzm s LYS 52 CO 0.37 -0.57 0.00 0.41 -0.92 0.00 0.00 175.35 174.64 2dzm n GLY 53 N -0.47 1.75 2.57 -3.33 0.00 -1.26 -3.88 105.19 100.57 2dzm n GLY 53 Ca 0.04 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 0.12 0.00 1.61 7.02 -1.26 -4.82 117.44 120.10 2dzm n TRP 54 Ca 0.00 0.76 -0.10 0.00 -1.02 0.00 0.00 57.50 57.14 2dzm n TRP 54 Cb 0.00 -1.51 -0.04 0.00 -2.42 0.00 0.00 31.31 27.34 2dzm n TRP 54 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 2dzm h LYS 55 N 1.59 -0.08 -5.92 -0.99 1.57 -2.00 -3.38 116.57 107.37 2dzm h LYS 55 Ca -0.31 0.01 -0.61 0.00 -1.87 0.00 0.00 60.65 57.87 2dzm h LYS 55 Cb 1.06 0.02 -0.12 0.00 0.08 0.00 0.00 32.23 33.27 2dzm h LYS 55 CO 0.46 -0.05 0.55 -0.08 -0.57 0.00 0.00 179.45 179.75 2dzm s THR 56 N -6.18 4.43 0.00 -0.16 -1.32 -1.26 -4.93 115.64 106.22 2dzm s THR 56 Ca -0.14 0.40 0.00 0.00 -1.21 0.00 0.00 61.69 60.74 2dzm s THR 56 Cb 0.09 -4.50 0.00 0.00 -1.51 0.00 0.00 72.50 66.59 2dzm s THR 56 CO 0.67 -1.01 0.00 0.61 -2.21 0.00 0.00 174.62 172.68 2dzm n GLY 57 N 5.06 1.35 2.86 6.08 0.00 -1.26 -4.09 105.19 115.20 2dzm n GLY 57 Ca 0.03 0.42 -0.22 0.00 0.00 0.00 0.00 46.02 46.26 2dzm n GLY 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dzm s ASP 58 N -2.88 1.26 0.40 1.61 2.15 -1.26 -4.53 116.67 113.43 2dzm s ASP 58 Ca 0.00 -0.13 -0.21 0.00 0.43 0.00 0.00 52.55 52.64 2dzm s ASP 58 Cb 0.00 -0.49 -0.11 0.00 -0.30 0.00 0.00 42.92 42.03 2dzm s ASP 58 CO 0.00 -0.10 0.92 -0.69 -0.17 0.00 0.00 175.17 175.13 2dzm s VAL 59 N 1.30 4.41 -0.01 1.11 1.01 -1.26 -5.06 120.40 121.90 2dzm s VAL 59 Ca -0.05 1.45 -0.07 0.00 0.00 0.00 0.00 61.98 63.32 2dzm s VAL 59 Cb -0.14 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 2dzm s VAL 59 CO -0.02 -0.24 0.25 -1.83 0.00 0.00 0.00 175.10 173.26 2dzm s GLU 60 N -3.00 3.57 0.41 2.72 -1.05 -1.26 -4.96 118.70 115.13 2dzm s GLU 60 Ca 0.59 -0.07 0.21 0.00 -0.15 0.00 0.00 54.97 55.55 2dzm s GLU 60 Cb -0.10 -3.11 1.13 0.00 -0.44 0.00 0.00 34.13 31.61 2dzm s GLU 60 CO 0.15 0.67 1.59 0.38 0.95 0.00 0.00 175.26 179.00 2dzm h ASP 61 N 4.18 0.00 -0.27 0.83 2.03 -1.97 0.35 116.42 121.57 2dzm h ASP 61 Ca -0.51 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.79 2dzm h ASP 61 Cb 1.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 2dzm h ASP 61 CO 0.65 0.00 0.00 -0.24 -1.03 0.00 0.00 179.24 178.62 2dzm n SER 62 N -2.33 2.30 -4.64 4.15 2.88 -1.26 -3.62 113.62 111.11 2dzm n SER 62 Ca -0.01 -2.20 -0.31 0.00 -1.33 0.00 0.00 58.87 55.02 2dzm n SER 62 Cb 0.23 -0.39 -0.09 0.00 -0.75 0.00 0.00 64.21 63.20 2dzm n SER 62 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2dzm s THR 63 N -1.66 3.81 -0.11 2.46 2.01 0.12 -5.03 115.64 117.24 2dzm s THR 63 Ca 0.21 -0.88 -0.04 0.00 0.31 0.00 0.00 61.69 61.29 2dzm s THR 63 Cb 0.14 -2.73 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 2dzm s THR 63 CO 0.10 0.27 0.05 -0.69 -0.69 0.00 0.00 174.62 173.66 2dzm s VAL 64 N -1.14 4.75 0.15 3.82 1.01 -1.26 -0.45 120.40 127.28 2dzm s VAL 64 Ca 0.21 -0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.81 2dzm s VAL 64 Cb -0.11 -3.04 -0.06 0.00 0.00 0.00 0.00 36.38 33.17 2dzm s VAL 64 CO 0.12 0.59 1.55 -0.07 0.00 0.00 0.00 175.10 177.30 2dzm h LEU 65 N 5.30 -1.82 -1.60 3.92 3.38 -1.54 0.45 115.31 123.40 2dzm h LEU 65 Ca -0.50 0.26 0.51 0.00 0.09 0.00 0.00 57.88 58.24 2dzm h LEU 65 Cb 1.20 0.78 -0.12 0.00 0.09 0.00 0.00 40.66 42.61 2dzm h LEU 65 CO 0.57 -0.35 1.07 0.07 0.09 0.00 0.00 178.44 179.89 2dzm h LYS 66 N -0.27 0.00 0.07 1.13 2.10 -0.98 0.79 116.57 119.41 2dzm h LYS 66 Ca 0.12 -0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.77 2dzm h LYS 66 Cb 0.55 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.88 2dzm h LYS 66 CO -0.69 0.00 -0.03 1.03 -2.00 0.00 0.00 179.45 177.76 2dzm h SER 67 N 0.00 -0.08 1.21 7.07 0.87 -0.37 -2.91 113.55 119.35 2dzm h SER 67 Ca 0.90 -0.06 -0.12 0.00 -1.23 0.00 0.00 61.79 61.28 2dzm h SER 67 Cb 3.16 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 65.13 2dzm h SER 67 CO -0.31 0.01 -0.57 -0.07 -0.53 0.00 0.00 176.83 175.36 2dzm h LEU 68 N -0.16 0.00 -2.11 2.23 3.38 0.42 -3.48 115.31 115.58 2dzm h LEU 68 Ca -0.01 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.72 2dzm h LEU 68 Cb 0.14 0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.04 2dzm h LEU 68 CO 0.02 0.57 -0.68 1.41 0.09 0.00 0.00 178.44 179.85 2dzm n HIS 69 N -3.34 -1.93 -1.64 1.13 8.25 0.10 -4.93 115.22 112.85 2dzm n HIS 69 Ca 0.01 0.75 -0.40 0.00 -0.26 0.00 0.00 57.72 57.82 2dzm n HIS 69 Cb 0.71 -4.22 0.03 0.00 1.12 0.00 0.00 29.99 27.63 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 -3.28 3.53 -4.59 2.41 7.99 -1.26 -4.98 117.00 116.82 2dzm n LEU 70 Ca -0.15 0.95 -0.30 0.00 -0.01 0.00 0.00 56.01 56.50 2dzm n LEU 70 Cb 0.62 -1.41 0.24 0.00 -0.11 0.00 0.00 43.42 42.76 2dzm n LEU 70 CO 0.50 -1.41 0.62 -2.16 -1.51 0.00 0.00 177.39 173.43 2dzm s PRO 71 N -2.42 -1.29 0.16 3.23 0.04 -1.26 -4.95 135.00 128.52 2dzm s PRO 71 Ca 0.68 -0.09 -0.15 0.00 0.04 0.00 0.00 61.00 61.48 2dzm s PRO 71 Cb -0.48 -1.59 0.04 0.00 0.04 0.00 0.00 34.50 32.51 2dzm s PRO 71 CO 0.53 -3.75 1.81 -0.22 0.04 0.00 0.00 177.00 175.41 2dzm h LYS 72 N -2.61 0.64 -5.49 4.56 3.64 -1.95 -3.42 116.57 111.96 2dzm h LYS 72 Ca -0.44 -0.05 -0.65 0.00 -1.27 0.00 0.00 60.65 58.23 2dzm h LYS 72 Cb 1.29 -0.14 -0.23 0.00 -0.41 0.00 0.00 32.23 32.74 2dzm h LYS 72 CO 0.33 0.45 -0.71 0.54 -2.27 0.00 0.00 179.45 177.78 2dzm s ASN 73 N -5.67 4.44 0.15 4.20 4.22 -1.26 -3.51 114.94 117.51 2dzm s ASN 73 Ca -0.13 -0.19 0.04 0.00 -2.14 0.00 0.00 52.86 50.44 2dzm s ASN 73 Cb 0.12 -1.58 -0.04 0.00 1.28 0.00 0.00 41.25 41.02 2dzm s ASN 73 CO 0.74 0.21 -0.09 0.20 -2.04 0.00 0.00 177.10 176.12 2dzm s ASN 74 N 0.12 1.74 -0.24 3.54 0.01 -0.85 -5.04 114.94 114.22 2dzm s ASN 74 Ca -0.04 -1.04 -0.03 0.00 -0.71 0.00 0.00 52.86 51.05 2dzm s ASN 74 Cb -0.14 0.00 0.11 0.00 0.41 0.00 0.00 41.25 41.63 2dzm s ASN 74 CO 0.04 -0.36 0.23 -0.94 -1.51 0.00 0.00 177.10 174.55 2dzm s SER 75 N -3.17 1.78 0.55 -1.22 1.04 -1.26 -2.34 113.70 109.08 2dzm s SER 75 Ca 0.18 -0.54 0.05 0.00 0.48 0.00 0.00 55.95 56.12 2dzm s SER 75 Cb 0.03 0.31 0.05 0.00 0.10 0.00 0.00 66.02 66.51 2dzm s SER 75 CO 0.01 -0.36 0.42 -0.76 0.98 0.00 0.00 173.24 173.53 2dzm s LEU 76 N 2.30 2.67 -0.07 2.42 1.43 0.28 -4.91 118.68 122.80 2dzm s LEU 76 Ca 0.08 -1.26 -0.23 0.00 -1.03 0.00 0.00 54.13 51.69 2dzm s LEU 76 Cb -0.15 -1.16 0.05 0.00 0.03 0.00 0.00 46.19 44.96 2dzm s LEU 76 CO -0.22 -1.15 0.52 -0.72 0.23 0.00 0.00 176.35 175.01 2dzm s TYR 77 N -2.79 -0.48 -0.09 0.29 1.13 -1.25 -0.29 117.35 113.87 2dzm s TYR 77 Ca 0.34 0.91 -0.02 0.00 -1.41 0.00 0.00 57.07 56.89 2dzm s TYR 77 Cb -0.02 0.26 -0.03 0.00 -1.10 0.00 0.00 41.96 41.06 2dzm s TYR 77 CO 0.21 -0.46 -0.00 0.08 -2.51 0.00 0.00 175.55 172.87 2dzm s VAL 78 N -0.91 4.28 -0.27 -3.49 1.01 -1.19 -3.64 120.40 116.19 2dzm s VAL 78 Ca -0.09 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.64 2dzm s VAL 78 Cb -0.03 -2.80 0.08 0.00 0.00 0.00 0.00 36.38 33.63 2dzm s VAL 78 CO 0.06 0.60 0.01 -0.76 0.00 0.00 0.00 175.10 175.00 2dzm s LEU 79 N -0.80 2.89 -0.66 3.92 1.02 -1.24 -4.75 118.68 119.05 2dzm s LEU 79 Ca 0.12 -1.47 -0.10 0.00 0.02 0.00 0.00 54.13 52.71 2dzm s LEU 79 Cb -0.11 -1.18 0.17 0.00 0.02 0.00 0.00 46.19 45.09 2dzm s LEU 79 CO 0.02 -0.31 0.56 0.42 0.02 0.00 0.00 176.35 177.06 2dzm s THR 80 N 1.36 4.75 -0.02 5.49 -4.23 -1.26 -3.40 115.64 118.32 2dzm s THR 80 Ca 0.01 -2.34 -0.25 0.00 -1.18 0.00 0.00 61.69 57.93 2dzm s THR 80 Cb -0.18 -4.02 -0.20 0.00 1.34 0.00 0.00 72.50 69.44 2dzm s THR 80 CO -0.11 -0.91 1.23 1.55 -0.54 0.00 0.00 174.62 175.83 2dzm h PRO 81 N 7.85 -0.06 0.28 3.99 0.13 -1.98 -3.37 132.00 138.85 2dzm h PRO 81 Ca -0.04 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 2dzm h PRO 81 Cb 1.03 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2dzm h PRO 81 CO 0.80 0.41 -0.14 -0.44 -0.23 0.00 0.00 178.00 178.40 2dzm h ASP 82 N -0.55 -0.32 -0.75 1.44 5.19 -1.91 -3.45 116.42 116.07 2dzm h ASP 82 Ca -0.01 0.01 -0.53 0.00 -0.62 0.00 0.00 57.03 55.89 2dzm h ASP 82 Cb 0.49 0.08 0.07 0.00 0.18 0.00 0.00 39.33 40.15 2dzm h ASP 82 CO 0.01 -0.10 -0.25 -0.11 -3.12 0.00 0.00 179.24 175.67 2dzm n LEU 83 N -3.75 -0.63 -4.67 1.55 7.94 -1.26 -4.90 117.00 111.27 2dzm n LEU 83 Ca -0.05 0.85 -0.29 0.00 -1.11 0.00 0.00 56.01 55.42 2dzm n LEU 83 Cb 0.15 -0.70 0.18 0.00 0.53 0.00 0.00 43.42 43.58 2dzm n LEU 83 CO 0.11 -1.97 0.64 -2.16 -1.11 0.00 0.00 177.39 172.90 2dzm s PRO 84 N -0.50 0.31 -0.22 1.96 0.04 -1.26 -4.95 135.00 130.38 2dzm s PRO 84 Ca 0.54 0.48 -0.29 0.00 0.04 0.00 0.00 61.00 61.78 2dzm s PRO 84 Cb -0.78 -1.73 -0.03 0.00 0.04 0.00 0.00 34.50 32.01 2dzm s PRO 84 CO 0.42 -2.80 1.61 -1.25 0.04 0.00 0.00 177.00 175.02 2dzm s PRO 85 N -4.97 3.79 0.00 0.56 0.04 -1.26 -4.87 135.00 128.30 2dzm s PRO 85 Ca 0.66 1.65 0.12 0.00 0.04 0.00 0.00 61.00 63.46 2dzm s PRO 85 Cb -0.19 -4.03 0.71 0.00 0.04 0.00 0.00 34.50 31.02 2dzm s PRO 85 CO 0.58 -1.30 1.14 -0.35 0.04 0.00 0.00 177.00 177.11 2dzm n PRO 86 N 7.66 0.49 -0.24 0.56 -0.04 -1.26 -4.02 135.00 138.15 2dzm n PRO 86 Ca 0.19 0.00 0.24 0.00 -0.04 0.00 0.00 63.50 63.88 2dzm n PRO 86 Cb 0.45 -1.38 0.43 0.00 -0.04 0.00 0.00 33.50 32.97 2dzm n PRO 86 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dzm n SER 87 N -0.88 0.25 -3.96 3.54 2.88 -1.26 -2.51 113.62 111.68 2dzm n SER 87 Ca 0.09 1.21 -0.30 0.00 -1.33 0.00 0.00 58.87 58.53 2dzm n SER 87 Cb 0.04 -0.59 -0.14 0.00 -0.75 0.00 0.00 64.21 62.77 2dzm n SER 87 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dzm s SER 88 N -4.64 4.42 0.22 -3.46 0.01 -1.26 -5.10 113.70 103.89 2dzm s SER 88 Ca -0.07 -2.74 -0.12 0.00 1.31 0.00 0.00 55.95 54.33 2dzm s SER 88 Cb 0.25 -1.61 -0.07 0.00 0.21 0.00 0.00 66.02 64.79 2dzm s SER 88 CO 0.57 -0.28 0.59 -0.94 0.41 0.00 0.00 173.24 173.59 2dzm s SER 89 N 0.09 6.73 -0.33 2.44 1.04 -1.04 -5.01 113.70 117.61 2dzm s SER 89 Ca 0.15 1.05 0.09 0.00 0.48 0.00 0.00 55.95 57.72 2dzm s SER 89 Cb -0.24 -2.28 0.45 0.00 0.10 0.00 0.00 66.02 64.06 2dzm s SER 89 CO -0.03 -0.03 1.14 -1.54 0.98 0.00 0.00 173.24 173.77 2dzm n SER 90 N 0.18 4.31 -3.66 7.02 3.41 -1.26 -5.04 113.62 118.57 2dzm n SER 90 Ca -0.01 -3.50 -0.08 0.00 -0.26 0.00 0.00 58.87 55.02 2dzm n SER 90 Cb 0.52 -0.40 -0.02 0.00 -0.26 0.00 0.00 64.21 64.05 2dzm n SER 90 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2dzm s HIS 91 N -3.57 -0.30 -0.59 7.33 3.76 -1.26 -5.09 115.29 115.57 2dzm s HIS 91 Ca 0.46 -0.01 -0.26 0.00 -0.15 0.00 0.00 55.06 55.10 2dzm s HIS 91 Cb 0.40 0.63 -0.06 0.00 1.11 0.00 0.00 32.58 34.66 2dzm s HIS 91 CO -0.04 -0.94 2.21 0.00 -0.85 0.00 0.00 174.74 175.12 2dzm s ALA 92 N -3.61 1.70 0.00 -1.40 0.00 -1.26 -4.87 121.76 112.32 2dzm s ALA 92 Ca 0.08 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.65 2dzm s ALA 92 Cb -0.03 -4.37 0.00 0.00 0.00 0.00 0.00 23.12 18.72 2dzm s ALA 92 CO -0.02 -4.47 0.96 0.41 0.00 0.00 0.00 175.76 172.63 2dzm n GLY 93 N 6.05 -2.69 3.89 0.00 0.00 -1.26 -4.69 105.19 106.49 2dzm n GLY 93 Ca 0.33 0.18 -0.35 0.00 0.00 0.00 0.00 46.02 46.18 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 -3.21 3.91 0.57 4.61 0.00 -1.26 -4.60 121.76 121.78 2dzm s ALA 94 Ca 0.00 -0.68 -0.20 0.00 0.00 0.00 0.00 51.96 51.07 2dzm s ALA 94 Cb 0.00 -1.95 -0.05 0.00 0.00 0.00 0.00 23.12 21.12 2dzm s ALA 94 CO 0.00 0.68 1.12 -0.11 0.00 0.00 0.00 175.76 177.45 2dzm n LEU 95 N 1.36 4.33 -4.74 0.00 7.94 -1.26 -4.90 117.00 119.73 2dzm n LEU 95 Ca -0.14 0.89 -0.41 0.00 -1.11 0.00 0.00 56.01 55.23 2dzm n LEU 95 Cb 0.53 -1.46 -0.02 0.00 0.53 0.00 0.00 43.42 43.00 2dzm n LEU 95 CO 0.39 -1.35 1.13 0.00 -1.11 0.00 0.00 177.39 176.45 2dzm s GLN 96 N -2.76 4.25 0.01 1.96 -2.07 -1.26 -4.98 119.66 114.81 2dzm s GLN 96 Ca 0.74 2.33 -0.22 0.00 -1.82 0.00 0.00 55.36 56.38 2dzm s GLN 96 Cb -0.43 -3.11 -0.05 0.00 -1.09 0.00 0.00 33.01 28.32 2dzm s GLN 96 CO 0.48 -0.46 0.66 -2.00 -1.32 0.00 0.00 175.29 172.65 2dzm s GLU 97 N -0.17 4.39 0.36 9.60 2.12 -1.26 -5.05 118.70 128.68 2dzm s GLU 97 Ca 0.61 0.86 -0.02 0.00 0.36 0.00 0.00 54.97 56.77 2dzm s GLU 97 Cb -0.42 -3.35 0.01 0.00 0.26 0.00 0.00 34.13 30.62 2dzm s GLU 97 CO 0.42 0.33 0.51 -1.13 -0.54 0.00 0.00 175.26 174.85 2dzm n SER 98 N 2.78 -1.43 -4.77 -1.70 3.41 -1.26 -5.15 113.62 105.49 2dzm n SER 98 Ca -0.05 -2.92 -0.37 0.00 -0.26 0.00 0.00 58.87 55.28 2dzm n SER 98 Cb 0.51 2.65 -0.01 0.00 -0.26 0.00 0.00 64.21 67.10 2dzm n SER 98 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2dzm s LEU 99 N 0.00 4.02 0.00 1.04 1.02 -1.26 -5.32 118.68 118.18 2dzm s LEU 99 Ca 0.29 2.26 0.07 0.00 0.02 0.00 0.00 54.13 56.77 2dzm s LEU 99 Cb -0.01 -4.25 0.42 0.00 0.02 0.00 0.00 46.19 42.37 2dzm s LEU 99 CO 0.21 -0.87 0.88 0.59 0.02 0.00 0.00 176.35 177.18