#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 -0.53 -3.67 1.61 0.02 -2.11 -3.41 113.55 105.46 2dzm h SER 2 Ca 0.00 -0.08 -0.67 0.00 -0.84 0.00 0.00 61.79 60.20 2dzm h SER 2 Cb 0.00 0.14 -0.22 0.00 0.14 0.00 0.00 62.40 62.46 2dzm h SER 2 CO 0.00 -0.13 -0.54 -0.44 -1.14 0.00 0.00 176.83 174.57 2dzm s SER 3 N -4.85 5.64 0.00 3.07 0.01 -1.26 -4.67 113.70 111.64 2dzm s SER 3 Ca -0.13 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 56.62 2dzm s SER 3 Cb 0.02 -2.02 0.00 0.00 0.21 0.00 0.00 66.02 64.22 2dzm s SER 3 CO 0.44 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.50 2dzm n GLY 4 N 5.00 0.69 3.39 3.44 0.00 -1.26 -5.09 105.19 111.36 2dzm n GLY 4 Ca -0.14 -0.01 -0.51 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 1.31 -3.54 1.61 7.64 -1.26 -4.86 113.62 114.52 2dzm n SER 5 Ca 0.00 0.40 -0.01 0.00 1.01 0.00 0.00 58.87 60.27 2dzm n SER 5 Cb 0.00 -1.09 -0.05 0.00 -1.01 0.00 0.00 64.21 62.06 2dzm n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dzm s SER 6 N 7.52 -0.81 -0.15 6.43 1.04 -1.26 -5.10 113.70 121.38 2dzm s SER 6 Ca 1.17 1.14 -0.30 0.00 0.48 0.00 0.00 55.95 58.44 2dzm s SER 6 Cb -1.11 1.83 0.12 0.00 0.10 0.00 0.00 66.02 66.95 2dzm s SER 6 CO 0.53 -0.16 0.93 -0.83 0.98 0.00 0.00 173.24 174.70 2dzm s GLY 7 N 2.43 -0.33 0.21 7.32 0.00 -1.26 -5.11 107.32 110.57 2dzm s GLY 7 Ca -0.05 1.92 -0.24 0.00 0.00 0.00 0.00 44.72 46.35 2dzm s GLY 7 CO -0.18 1.06 0.79 1.09 0.00 0.00 0.00 173.10 175.86 2dzm s ARG 8 N -1.04 4.49 -0.17 2.90 1.70 -1.26 -5.00 118.95 120.56 2dzm s ARG 8 Ca -0.03 1.11 -0.11 0.00 -0.47 0.00 0.00 55.73 56.22 2dzm s ARG 8 Cb -0.01 -3.09 -0.05 0.00 -0.57 0.00 0.00 34.95 31.24 2dzm s ARG 8 CO 0.03 0.48 0.20 -1.64 -1.08 0.00 0.00 175.30 173.28 2dzm s MET 9 N -1.52 4.12 -0.23 3.89 -1.94 -1.26 -3.52 119.30 118.85 2dzm s MET 9 Ca 0.40 -0.08 -0.05 0.00 -1.71 0.00 0.00 55.69 54.25 2dzm s MET 9 Cb -0.21 -3.39 -0.02 0.00 2.01 0.00 0.00 34.83 33.22 2dzm s MET 9 CO 0.25 0.34 0.01 -0.51 -0.01 0.00 0.00 175.02 175.10 2dzm s LEU 10 N 0.20 3.19 -0.81 -0.03 1.43 -1.23 -4.91 118.68 116.51 2dzm s LEU 10 Ca 0.12 -0.28 -0.23 0.00 -1.03 0.00 0.00 54.13 52.72 2dzm s LEU 10 Cb -0.12 -1.83 0.07 0.00 0.03 0.00 0.00 46.19 44.34 2dzm s LEU 10 CO 0.01 -0.01 1.18 -0.62 0.23 0.00 0.00 176.35 177.14 2dzm s ASP 11 N 1.43 6.34 -0.44 2.29 -1.08 -1.06 -3.55 116.67 120.59 2dzm s ASP 11 Ca 0.05 -1.20 -0.21 0.00 -0.52 0.00 0.00 52.55 50.68 2dzm s ASP 11 Cb -0.15 -2.48 0.03 0.00 -1.46 0.00 0.00 42.92 38.86 2dzm s ASP 11 CO 0.01 -1.46 0.66 -0.36 0.52 0.00 0.00 175.17 174.53 2dzm s PHE 12 N 4.34 3.05 -0.40 -5.34 0.08 0.73 -2.62 117.98 117.83 2dzm s PHE 12 Ca 0.32 -0.07 -0.21 0.00 0.12 0.00 0.00 56.93 57.10 2dzm s PHE 12 Cb -0.09 -3.39 0.01 0.00 -0.57 0.00 0.00 43.02 38.99 2dzm s PHE 12 CO 0.03 -0.90 0.65 0.50 -0.10 0.00 0.00 175.22 175.40 2dzm s ARG 13 N 2.86 3.48 -0.34 0.44 3.00 -1.20 -1.25 118.95 125.94 2dzm s ARG 13 Ca 0.23 -0.15 -0.13 0.00 -1.00 0.00 0.00 55.73 54.68 2dzm s ARG 13 Cb -0.14 -3.88 -0.02 0.00 0.00 0.00 0.00 34.95 30.91 2dzm s ARG 13 CO 0.19 -0.88 0.24 0.08 0.00 0.00 0.00 175.30 174.93 2dzm s VAL 14 N 2.79 5.28 -0.49 7.11 1.01 -0.67 0.14 120.40 135.57 2dzm s VAL 14 Ca 0.24 -0.22 -0.21 0.00 0.00 0.00 0.00 61.98 61.79 2dzm s VAL 14 Cb -0.14 -3.72 0.04 0.00 0.00 0.00 0.00 36.38 32.56 2dzm s VAL 14 CO 0.17 -0.02 0.74 -0.70 0.00 0.00 0.00 175.10 175.30 2dzm s GLU 15 N 1.73 3.26 0.14 2.72 2.12 -0.04 -1.71 118.70 126.91 2dzm s GLU 15 Ca 0.06 -0.48 0.10 0.00 0.36 0.00 0.00 54.97 55.02 2dzm s GLU 15 Cb -0.17 -4.03 -0.04 0.00 0.26 0.00 0.00 34.13 30.15 2dzm s GLU 15 CO 0.11 -1.23 -0.25 -0.47 -0.54 0.00 0.00 175.26 172.88 2dzm s TYR 16 N 3.14 2.18 0.07 5.30 5.04 -1.15 -3.44 117.35 128.49 2dzm s TYR 16 Ca 0.23 -0.39 -0.13 0.00 -2.44 0.00 0.00 57.07 54.35 2dzm s TYR 16 Cb -0.15 -1.16 -0.03 0.00 0.35 0.00 0.00 41.96 40.97 2dzm s TYR 16 CO 0.17 0.34 0.86 0.54 -1.34 0.00 0.00 175.55 176.12 2dzm n ARG 17 N 0.81 -0.18 -0.10 4.97 5.12 -1.26 -0.57 116.66 125.45 2dzm n ARG 17 Ca -0.17 0.85 -0.07 0.00 -1.93 0.00 0.00 57.85 56.53 2dzm n ARG 17 Cb 0.54 -1.26 -0.05 0.00 -1.16 0.00 0.00 32.46 30.53 2dzm n ARG 17 CO 0.00 0.00 0.00 0.22 -1.93 0.00 0.00 177.63 175.92 2dzm h ASP 18 N 0.00 -1.03 -5.75 0.55 1.82 -1.96 -3.47 116.42 106.58 2dzm h ASP 18 Ca 0.07 0.14 0.32 0.00 -0.39 0.00 0.00 57.03 57.16 2dzm h ASP 18 Cb 0.17 0.43 -0.11 0.00 0.68 0.00 0.00 39.33 40.50 2dzm h ASP 18 CO -0.39 -0.20 0.81 0.00 -1.61 0.00 0.00 179.24 177.85 2dzm s ARG 19 N -4.41 0.47 -0.11 0.28 1.70 0.27 -5.14 118.95 112.00 2dzm s ARG 19 Ca -0.08 -0.27 -0.23 0.00 -0.47 0.00 0.00 55.73 54.68 2dzm s ARG 19 Cb 0.05 0.15 -0.03 0.00 -0.57 0.00 0.00 34.95 34.55 2dzm s ARG 19 CO 0.33 -0.22 0.72 -0.80 -1.08 0.00 0.00 175.30 174.25 2dzm s ASN 20 N -3.12 6.93 0.03 -2.89 -0.87 -1.26 -2.95 114.94 110.81 2dzm s ASN 20 Ca 0.17 1.13 0.05 0.00 -1.57 0.00 0.00 52.86 52.64 2dzm s ASN 20 Cb 0.03 -2.41 -0.03 0.00 -0.02 0.00 0.00 41.25 38.82 2dzm s ASN 20 CO -0.03 -0.21 -0.10 0.54 -2.57 0.00 0.00 177.10 174.74 2dzm s VAL 21 N 1.29 3.41 -0.09 1.60 0.11 -0.70 -4.95 120.40 121.08 2dzm s VAL 21 Ca 0.36 -0.96 -0.13 0.00 -2.93 0.00 0.00 61.98 58.32 2dzm s VAL 21 Cb -0.17 -2.50 -0.05 0.00 -1.53 0.00 0.00 36.38 32.13 2dzm s VAL 21 CO 0.16 0.32 0.33 -0.62 -3.33 0.00 0.00 175.10 171.96 2dzm s ASP 22 N -1.59 6.60 -0.01 3.54 2.15 -1.26 -1.68 116.67 124.42 2dzm s ASP 22 Ca 0.18 0.71 0.05 0.00 0.43 0.00 0.00 52.55 53.92 2dzm s ASP 22 Cb -0.11 -2.20 -0.01 0.00 -0.30 0.00 0.00 42.92 40.30 2dzm s ASP 22 CO 0.08 0.23 -0.17 -0.69 -0.17 0.00 0.00 175.17 174.45 2dzm s VAL 23 N -0.38 1.38 -0.13 1.11 1.01 -0.38 -4.97 120.40 118.04 2dzm s VAL 23 Ca 0.20 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 2dzm s VAL 23 Cb -0.14 -1.15 0.04 0.00 0.00 0.00 0.00 36.38 35.13 2dzm s VAL 23 CO 0.08 0.39 -0.00 -0.69 0.00 0.00 0.00 175.10 174.88 2dzm s VAL 24 N -0.39 0.60 -0.10 2.92 1.01 -1.26 -0.19 120.40 122.99 2dzm s VAL 24 Ca 0.06 -0.24 -0.07 0.00 0.00 0.00 0.00 61.98 61.73 2dzm s VAL 24 Cb -0.07 -0.85 0.03 0.00 0.00 0.00 0.00 36.38 35.49 2dzm s VAL 24 CO -0.01 0.11 0.25 -1.48 0.00 0.00 0.00 175.10 173.97 2dzm s LEU 25 N 1.86 0.78 0.90 3.92 2.34 -1.23 -4.94 118.68 122.30 2dzm s LEU 25 Ca 0.03 0.51 -0.12 0.00 0.06 0.00 0.00 54.13 54.60 2dzm s LEU 25 Cb -0.14 0.80 0.06 0.00 -0.56 0.00 0.00 46.19 46.35 2dzm s LEU 25 CO -0.07 -0.12 0.71 1.21 -1.06 0.00 0.00 176.35 177.03 2dzm n GLU 26 N 3.50 -0.20 0.00 1.48 2.13 -1.26 -3.56 120.64 122.73 2dzm n GLU 26 Ca -0.18 -0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.71 2dzm n GLU 26 Cb 0.56 -2.06 0.41 0.00 0.27 0.00 0.00 31.44 30.62 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 -2.20 0.00 0.04 4.31 5.68 -1.23 -2.10 116.55 121.05 2dzm n ASP 27 Ca 0.09 -0.29 -0.04 0.00 -0.50 0.00 0.00 54.79 54.05 2dzm n ASP 27 Cb 0.52 -0.09 -0.09 0.00 -1.14 0.00 0.00 41.12 40.33 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 0.91 -4.18 2.12 1.35 -1.91 -0.38 112.91 110.82 2dzm h THR 28 Ca 0.00 -2.54 -0.52 0.00 -0.55 0.00 0.00 66.41 62.80 2dzm h THR 28 Cb 0.04 2.38 0.13 0.00 -1.73 0.00 0.00 68.15 68.97 2dzm h THR 28 CO 0.00 0.52 0.39 0.00 -0.25 0.00 0.00 175.52 176.18 2dzm s THR 30 N -2.12 4.58 0.60 0.00 2.01 -1.26 -2.92 115.64 116.53 2dzm s THR 30 Ca 0.71 1.16 0.29 0.00 0.31 0.00 0.00 61.69 64.16 2dzm s THR 30 Cb -0.25 -3.66 0.36 0.00 0.01 0.00 0.00 72.50 68.96 2dzm s THR 30 CO 0.43 -0.14 1.90 -0.37 -0.69 0.00 0.00 174.62 175.74 2dzm h VAL 31 N 2.09 0.31 -0.42 3.82 -1.51 -1.14 0.87 116.25 120.26 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 0.63 -0.02 0.00 -2.13 0.00 0.00 31.29 30.95 2dzm h VAL 31 CO 0.64 0.00 -0.07 1.23 -1.23 0.00 0.00 177.57 178.15 2dzm h GLY 32 N 0.00 0.77 -0.25 5.19 0.00 -1.79 -3.22 103.07 103.78 2dzm h GLY 32 Ca 0.17 -0.54 0.04 0.00 0.00 0.00 0.00 47.33 46.99 2dzm h GLY 32 CO -0.00 0.50 -0.55 0.83 0.00 0.00 0.00 176.54 177.32 2dzm h GLU 33 N 0.66 -0.49 -0.88 4.80 3.07 -1.16 0.43 114.58 121.01 2dzm h GLU 33 Ca 0.12 0.03 0.33 0.00 -0.50 0.00 0.00 59.36 59.34 2dzm h GLU 33 Cb 0.51 0.11 -0.11 0.00 -0.84 0.00 0.00 28.75 28.42 2dzm h GLU 33 CO 0.03 -0.33 0.53 -0.89 -1.40 0.00 0.00 179.01 176.95 2dzm n ILE 34 N -5.41 -0.24 0.06 3.13 5.41 -1.21 0.09 119.36 121.19 2dzm n ILE 34 Ca -0.05 1.38 -0.03 0.00 1.00 0.00 0.00 62.75 65.05 2dzm n ILE 34 Cb 0.36 -2.25 -0.01 0.00 -0.71 0.00 0.00 39.64 37.04 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 -0.17 -0.72 0.38 1.57 -1.07 -2.29 116.57 114.27 2dzm h LYS 35 Ca 0.63 0.01 0.21 0.00 -1.87 0.00 0.00 60.65 59.63 2dzm h LYS 35 Cb 1.87 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 34.19 2dzm h LYS 35 CO -0.43 -0.11 0.61 0.37 -0.57 0.00 0.00 179.45 179.31 2dzm h GLN 36 N -0.28 0.00 -0.21 3.15 4.15 -0.59 0.93 115.11 122.25 2dzm h GLN 36 Ca -0.02 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.32 2dzm h GLN 36 Cb 0.13 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.82 2dzm h GLN 36 CO 0.03 0.00 -0.21 0.82 -1.93 0.00 0.00 178.83 177.54 2dzm h ILE 37 N 0.00 1.32 -0.01 2.39 2.04 -0.35 -2.86 117.51 120.05 2dzm h ILE 37 Ca 0.34 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.83 2dzm h ILE 37 Cb 1.55 1.74 -0.00 0.00 -0.74 0.00 0.00 36.82 39.37 2dzm h ILE 37 CO -0.00 0.42 0.15 -0.07 0.00 0.00 0.00 178.15 178.65 2dzm h LEU 38 N 0.20 0.00 -0.04 1.44 3.38 -0.20 0.38 115.31 120.47 2dzm h LEU 38 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2dzm h LEU 38 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2dzm h LEU 38 CO 0.05 0.00 0.00 -0.08 0.09 0.00 0.00 178.44 178.50 2dzm h GLU 39 N 0.00 0.00 -0.01 1.13 4.81 -1.41 0.46 114.58 119.56 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 0.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 2dzm h GLU 39 CO -0.00 0.00 -0.37 0.09 -0.73 0.00 0.00 179.01 178.00 2dzm n ASN 40 N -2.83 0.96 0.00 1.04 3.02 0.13 -1.96 115.26 115.61 2dzm n ASN 40 Ca 0.04 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.82 2dzm n ASN 40 Cb 0.49 0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.89 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 -0.86 1.77 -0.00 3.52 -0.58 -1.17 -4.75 120.64 118.57 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 0.35 -0.94 -0.10 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 -2.09 0.74 -1.64 -4.62 4.77 0.16 -4.98 117.00 109.35 2dzm n LEU 42 Ca 0.00 -0.46 -0.17 0.00 -0.03 0.00 0.00 56.01 55.35 2dzm n LEU 42 Cb 0.44 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 2dzm n LEU 42 CO 0.00 0.19 -0.19 0.00 -1.33 0.00 0.00 177.39 176.05 2dzm n GLN 43 N -1.46 -1.29 -3.66 3.23 1.13 -0.83 -4.96 117.38 109.54 2dzm n GLN 43 Ca 0.03 0.97 -0.37 0.00 -1.94 0.00 0.00 57.00 55.69 2dzm n GLN 43 Cb 0.28 -5.32 -0.06 0.00 0.11 0.00 0.00 30.24 25.25 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 -2.75 5.31 0.16 5.09 1.01 -1.25 -4.98 121.20 123.78 2dzm s ILE 44 Ca 0.00 0.48 -0.31 0.00 0.00 0.00 0.00 60.65 60.83 2dzm s ILE 44 Cb 0.00 -3.56 -0.08 0.00 0.01 0.00 0.00 42.46 38.83 2dzm s ILE 44 CO 0.00 0.53 1.33 -2.16 0.00 0.00 0.00 174.94 174.64 2dzm s PRO 45 N -0.51 4.37 0.43 2.79 0.04 -1.26 -3.89 135.00 136.97 2dzm s PRO 45 Ca 0.17 2.04 0.29 0.00 0.04 0.00 0.00 61.00 63.54 2dzm s PRO 45 Cb -0.14 -3.22 1.57 0.00 0.04 0.00 0.00 34.50 32.75 2dzm s PRO 45 CO 0.06 -0.32 1.88 0.28 0.04 0.00 0.00 177.00 178.94 2dzm h VAL 46 N 3.99 0.00 0.01 -0.36 2.07 -1.89 -0.08 116.25 119.98 2dzm h VAL 46 Ca -0.44 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 66.90 2dzm h VAL 46 Cb 1.21 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 2dzm h VAL 46 CO 0.81 0.00 -0.87 0.28 0.02 0.00 0.00 177.57 177.81 2dzm h SER 47 N 0.00 0.14 0.44 0.57 0.02 -2.00 -3.28 113.55 109.44 2dzm h SER 47 Ca 0.00 -0.12 -0.23 0.00 -0.84 0.00 0.00 61.79 60.60 2dzm h SER 47 Cb 0.01 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.46 2dzm h SER 47 CO 0.00 0.94 -1.75 0.29 -1.14 0.00 0.00 176.83 175.17 2dzm n LYS 48 N -3.60 0.64 -2.72 3.45 4.76 -0.18 -4.92 118.16 115.59 2dzm n LYS 48 Ca -0.02 0.16 -0.35 0.00 -2.87 0.00 0.00 58.31 55.23 2dzm n LYS 48 Cb 0.81 -1.72 -0.06 0.00 -1.84 0.00 0.00 35.03 32.23 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 4.24 -0.11 1.97 -1.94 -0.38 -4.33 119.30 115.95 2dzm s MET 49 Ca -0.05 1.28 -0.03 0.00 -1.71 0.00 0.00 55.69 55.18 2dzm s MET 49 Cb 0.08 -2.39 0.04 0.00 2.01 0.00 0.00 34.83 34.58 2dzm s MET 49 CO 0.83 -0.03 0.07 -0.51 -0.01 0.00 0.00 175.02 175.36 2dzm s LEU 50 N -2.84 0.32 0.18 -0.03 1.43 -1.26 -4.87 118.68 111.61 2dzm s LEU 50 Ca 0.59 -0.29 -0.31 0.00 -1.03 0.00 0.00 54.13 53.09 2dzm s LEU 50 Cb -0.15 -0.23 -0.10 0.00 0.03 0.00 0.00 46.19 45.74 2dzm s LEU 50 CO 0.19 -0.29 1.54 -0.22 0.23 0.00 0.00 176.35 177.80 2dzm s LEU 51 N 2.12 4.37 0.20 1.79 1.98 -1.26 -3.46 118.68 124.43 2dzm s LEU 51 Ca 0.03 2.61 -0.17 0.00 -2.89 0.00 0.00 54.13 53.72 2dzm s LEU 51 Cb -0.14 -3.60 0.02 0.00 0.66 0.00 0.00 46.19 43.13 2dzm s LEU 51 CO -0.06 -0.80 0.51 -0.54 -1.89 0.00 0.00 176.35 173.57 2dzm s LYS 52 N 0.86 1.39 0.00 1.98 1.02 -1.24 -4.95 119.74 118.81 2dzm s LYS 52 Ca 0.68 -0.91 0.00 0.00 0.02 0.00 0.00 55.97 55.76 2dzm s LYS 52 Cb -0.43 0.51 0.00 0.00 -0.52 0.00 0.00 37.83 37.39 2dzm s LYS 52 CO 0.33 -0.59 0.00 0.41 -0.92 0.00 0.00 175.35 174.59 2dzm n GLY 53 N -0.34 0.67 1.89 -3.33 0.00 -1.26 -3.44 105.19 99.37 2dzm n GLY 53 Ca -0.09 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.85 -3.16 -0.09 1.61 7.02 -1.26 -4.75 117.44 113.96 2dzm n TRP 54 Ca 0.00 -0.50 -0.17 0.00 -1.02 0.00 0.00 57.50 55.81 2dzm n TRP 54 Cb 0.13 -0.71 -0.11 0.00 -2.42 0.00 0.00 31.31 28.20 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 0.00 0.00 -4.78 -0.99 3.64 -1.97 -3.45 116.57 109.02 2dzm h LYS 55 Ca -0.23 0.00 -0.68 0.00 -1.27 0.00 0.00 60.65 58.47 2dzm h LYS 55 Cb 0.76 0.00 -0.27 0.00 -0.41 0.00 0.00 32.23 32.32 2dzm h LYS 55 CO 0.14 0.90 -0.62 -0.08 -2.27 0.00 0.00 179.45 177.52 2dzm s THR 56 N -2.27 3.93 0.00 1.00 -1.32 -1.26 -5.02 115.64 110.70 2dzm s THR 56 Ca -0.23 -0.77 0.00 0.00 -1.21 0.00 0.00 61.69 59.48 2dzm s THR 56 Cb 0.02 -3.06 0.00 0.00 -1.51 0.00 0.00 72.50 67.95 2dzm s THR 56 CO 0.58 0.04 0.00 0.61 -2.21 0.00 0.00 174.62 173.64 2dzm n GLY 57 N 4.86 1.83 3.09 6.08 0.00 -1.26 -4.13 105.19 115.66 2dzm n GLY 57 Ca -0.14 0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.58 2.62 0.07 1.61 1.01 -1.26 -4.47 116.67 112.67 2dzm s ASP 58 Ca 0.00 -0.48 -0.09 0.00 0.71 0.00 0.00 52.55 52.69 2dzm s ASP 58 Cb 0.00 -1.19 -0.06 0.00 1.01 0.00 0.00 42.92 42.69 2dzm s ASP 58 CO 0.00 0.04 0.38 -0.69 0.21 0.00 0.00 175.17 175.11 2dzm s VAL 59 N 0.90 5.13 -0.04 -1.27 1.01 -1.26 -5.09 120.40 119.79 2dzm s VAL 59 Ca -0.08 0.38 -0.13 0.00 0.00 0.00 0.00 61.98 62.16 2dzm s VAL 59 Cb -0.15 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 2dzm s VAL 59 CO -0.01 0.28 0.33 -1.83 0.00 0.00 0.00 175.10 173.88 2dzm s GLU 60 N -1.94 3.82 0.66 2.72 -1.05 -1.26 -4.94 118.70 116.71 2dzm s GLU 60 Ca 0.33 0.25 0.21 0.00 -0.15 0.00 0.00 54.97 55.61 2dzm s GLU 60 Cb -0.14 -3.23 1.16 0.00 -0.44 0.00 0.00 34.13 31.49 2dzm s GLU 60 CO 0.18 0.68 1.65 -0.44 0.95 0.00 0.00 175.26 178.29 2dzm h ASP 61 N 4.91 0.00 -0.13 0.83 3.32 -1.98 0.65 116.42 124.01 2dzm h ASP 61 Ca -0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.53 2dzm h ASP 61 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 2dzm h ASP 61 CO 0.61 0.00 0.00 -1.20 -1.72 0.00 0.00 179.24 176.93 2dzm n SER 62 N -2.78 1.97 -4.66 6.45 7.64 -1.26 -3.52 113.62 117.45 2dzm n SER 62 Ca -0.01 -2.19 -0.27 0.00 1.01 0.00 0.00 58.87 57.40 2dzm n SER 62 Cb 0.56 -0.50 -0.08 0.00 -1.01 0.00 0.00 64.21 63.18 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 -1.44 3.76 -0.02 0.44 2.01 0.23 -5.03 115.64 115.59 2dzm s THR 63 Ca 0.12 -1.32 -0.01 0.00 0.31 0.00 0.00 61.69 60.79 2dzm s THR 63 Cb 0.09 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.70 2dzm s THR 63 CO 0.04 -0.05 0.05 -0.69 -0.69 0.00 0.00 174.62 173.29 2dzm s VAL 64 N -1.61 4.58 0.12 3.82 1.01 -1.26 -0.79 120.40 126.27 2dzm s VAL 64 Ca 0.27 -0.40 -0.28 0.00 0.00 0.00 0.00 61.98 61.57 2dzm s VAL 64 Cb -0.10 -3.05 -0.07 0.00 0.00 0.00 0.00 36.38 33.16 2dzm s VAL 64 CO 0.18 0.41 1.61 -0.07 0.00 0.00 0.00 175.10 177.23 2dzm h LEU 65 N 4.35 -1.01 -1.49 3.92 3.38 -1.64 -0.74 115.31 122.09 2dzm h LEU 65 Ca -0.50 0.13 0.36 0.00 0.09 0.00 0.00 57.88 57.96 2dzm h LEU 65 Cb 1.18 0.40 -0.10 0.00 0.09 0.00 0.00 40.66 42.23 2dzm h LEU 65 CO 0.60 -0.41 0.80 0.07 0.09 0.00 0.00 178.44 179.60 2dzm h LYS 66 N -0.51 0.19 -0.68 1.13 2.10 -1.34 0.61 116.57 118.07 2dzm h LYS 66 Ca 0.05 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.69 2dzm h LYS 66 Cb 0.58 -0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 31.84 2dzm h LYS 66 CO -0.26 0.12 0.41 1.03 -2.00 0.00 0.00 179.45 178.76 2dzm h SER 67 N 0.19 0.82 1.14 7.07 0.87 -1.42 -2.65 113.55 119.59 2dzm h SER 67 Ca 0.70 -0.06 -0.16 0.00 -1.23 0.00 0.00 61.79 61.04 2dzm h SER 67 Cb 2.16 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 63.88 2dzm h SER 67 CO -0.30 0.64 -0.89 -0.07 -0.53 0.00 0.00 176.83 175.68 2dzm h LEU 68 N 0.93 0.00 -1.69 2.23 3.38 0.15 -3.48 115.31 116.83 2dzm h LEU 68 Ca 0.25 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.90 2dzm h LEU 68 Cb -0.03 0.00 0.16 0.00 0.09 0.00 0.00 40.66 40.88 2dzm h LEU 68 CO -0.05 0.72 -0.74 1.41 0.09 0.00 0.00 178.44 179.87 2dzm n HIS 69 N -3.21 -2.11 -1.71 1.13 8.25 0.71 -4.93 115.22 113.35 2dzm n HIS 69 Ca -0.02 0.90 -0.40 0.00 -0.26 0.00 0.00 57.72 57.95 2dzm n HIS 69 Cb 0.84 -4.94 0.03 0.00 1.12 0.00 0.00 29.99 27.04 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 -3.98 4.62 -4.77 2.41 7.99 -1.26 -4.96 117.00 117.05 2dzm n LEU 70 Ca -0.27 1.03 -0.35 0.00 -0.01 0.00 0.00 56.01 56.41 2dzm n LEU 70 Cb 0.66 -1.52 0.01 0.00 -0.11 0.00 0.00 43.42 42.46 2dzm n LEU 70 CO 0.59 -0.71 0.77 -2.16 -1.51 0.00 0.00 177.39 174.37 2dzm s PRO 71 N -2.53 3.25 0.24 3.23 0.04 -1.26 -4.88 135.00 133.09 2dzm s PRO 71 Ca 0.66 1.56 0.06 0.00 0.04 0.00 0.00 61.00 63.33 2dzm s PRO 71 Cb -0.46 -2.00 0.71 0.00 0.04 0.00 0.00 34.50 32.80 2dzm s PRO 71 CO 0.54 -0.92 1.15 1.17 0.04 0.00 0.00 177.00 178.97 2dzm n LYS 72 N -1.53 -0.05 -4.44 4.56 4.81 -1.26 -3.94 118.16 116.32 2dzm n LYS 72 Ca 0.11 1.06 -0.34 0.00 -0.87 0.00 0.00 58.31 58.28 2dzm n LYS 72 Cb 0.51 -1.76 -0.12 0.00 0.02 0.00 0.00 35.03 33.68 2dzm n LYS 72 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 2dzm s ASN 73 N -4.88 4.78 0.26 3.14 3.84 -1.26 -2.56 114.94 118.26 2dzm s ASN 73 Ca -0.08 -0.11 0.03 0.00 0.21 0.00 0.00 52.86 52.91 2dzm s ASN 73 Cb 0.23 -1.70 -0.05 0.00 -0.55 0.00 0.00 41.25 39.17 2dzm s ASN 73 CO 0.57 0.20 0.04 0.20 -2.79 0.00 0.00 177.10 175.32 2dzm s ASN 74 N 0.17 1.79 -0.21 -4.21 0.01 -1.08 -5.01 114.94 106.40 2dzm s ASN 74 Ca -0.02 -1.31 -0.04 0.00 -0.71 0.00 0.00 52.86 50.79 2dzm s ASN 74 Cb -0.14 0.03 0.09 0.00 0.41 0.00 0.00 41.25 41.64 2dzm s ASN 74 CO 0.03 -0.60 0.19 -0.94 -1.51 0.00 0.00 177.10 174.27 2dzm s SER 75 N -3.35 1.72 0.46 -1.22 1.04 -1.26 -3.22 113.70 107.86 2dzm s SER 75 Ca 0.33 -0.40 0.04 0.00 0.48 0.00 0.00 55.95 56.40 2dzm s SER 75 Cb 0.07 0.22 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 2dzm s SER 75 CO 0.12 -0.34 0.01 -0.76 0.98 0.00 0.00 173.24 173.25 2dzm s LEU 76 N 2.28 2.51 0.01 2.42 1.43 0.12 -4.85 118.68 122.59 2dzm s LEU 76 Ca 0.06 -1.53 -0.22 0.00 -1.03 0.00 0.00 54.13 51.41 2dzm s LEU 76 Cb -0.16 -0.75 0.05 0.00 0.03 0.00 0.00 46.19 45.36 2dzm s LEU 76 CO -0.14 -0.68 0.50 -0.72 0.23 0.00 0.00 176.35 175.54 2dzm s TYR 77 N -2.85 -0.41 -0.12 0.29 1.13 -1.22 -0.86 117.35 113.31 2dzm s TYR 77 Ca 0.20 0.56 -0.04 0.00 -1.41 0.00 0.00 57.07 56.38 2dzm s TYR 77 Cb 0.05 0.29 -0.04 0.00 -1.10 0.00 0.00 41.96 41.17 2dzm s TYR 77 CO 0.10 -0.57 0.03 0.08 -2.51 0.00 0.00 175.55 172.69 2dzm s VAL 78 N -1.86 4.56 -0.35 -3.49 1.01 -1.22 -3.59 120.40 115.46 2dzm s VAL 78 Ca -0.09 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 61.76 2dzm s VAL 78 Cb -0.02 -2.97 0.11 0.00 0.00 0.00 0.00 36.38 33.50 2dzm s VAL 78 CO 0.03 0.56 0.12 -0.76 0.00 0.00 0.00 175.10 175.05 2dzm s LEU 79 N -0.47 2.86 -0.50 3.92 1.43 -1.22 -4.81 118.68 119.88 2dzm s LEU 79 Ca 0.09 -1.99 -0.19 0.00 -1.03 0.00 0.00 54.13 51.01 2dzm s LEU 79 Cb -0.12 -1.06 0.06 0.00 0.03 0.00 0.00 46.19 45.10 2dzm s LEU 79 CO 0.02 -0.37 0.62 0.42 0.23 0.00 0.00 176.35 177.27 2dzm s THR 80 N 1.15 4.88 -0.01 5.49 -4.23 -1.26 -4.07 115.64 117.59 2dzm s THR 80 Ca 0.12 -0.50 -0.24 0.00 -1.18 0.00 0.00 61.69 59.88 2dzm s THR 80 Cb -0.19 -4.29 -0.19 0.00 1.34 0.00 0.00 72.50 69.16 2dzm s THR 80 CO -0.16 -0.80 1.29 1.55 -0.54 0.00 0.00 174.62 175.96 2dzm h PRO 81 N 8.99 0.09 0.14 3.99 0.13 -1.99 -3.38 132.00 139.97 2dzm h PRO 81 Ca -0.27 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.80 2dzm h PRO 81 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2dzm h PRO 81 CO 0.96 0.56 -0.07 -0.44 -0.23 0.00 0.00 178.00 178.78 2dzm h ASP 82 N -0.37 -0.16 -1.10 1.44 3.32 -1.92 -3.44 116.42 114.19 2dzm h ASP 82 Ca 0.01 0.01 -0.85 0.00 0.02 0.00 0.00 57.03 56.21 2dzm h ASP 82 Cb 0.54 0.04 0.01 0.00 0.22 0.00 0.00 39.33 40.14 2dzm h ASP 82 CO 0.01 -0.02 0.71 -0.11 -1.72 0.00 0.00 179.24 178.11 2dzm n LEU 83 N -2.99 1.40 -4.77 1.55 7.94 -1.26 -4.87 117.00 113.99 2dzm n LEU 83 Ca -0.02 1.17 -0.36 0.00 -1.11 0.00 0.00 56.01 55.68 2dzm n LEU 83 Cb 0.07 -0.93 -0.00 0.00 0.53 0.00 0.00 43.42 43.09 2dzm n LEU 83 CO 0.06 -0.79 0.81 -2.16 -1.11 0.00 0.00 177.39 174.19 2dzm s PRO 84 N 3.02 3.58 0.03 1.96 0.04 -1.26 -4.87 135.00 137.51 2dzm s PRO 84 Ca 1.03 1.70 -0.30 0.00 0.04 0.00 0.00 61.00 63.47 2dzm s PRO 84 Cb -1.41 -2.23 -0.06 0.00 0.04 0.00 0.00 34.50 30.83 2dzm s PRO 84 CO 0.78 -0.68 1.42 -1.25 0.04 0.00 0.00 177.00 177.31 2dzm s PRO 85 N -2.96 4.28 -0.78 0.56 0.04 -1.26 -4.93 135.00 129.96 2dzm s PRO 85 Ca 0.68 2.03 -0.25 0.00 0.04 0.00 0.00 61.00 63.49 2dzm s PRO 85 Cb -0.27 -3.50 -0.04 0.00 0.04 0.00 0.00 34.50 30.74 2dzm s PRO 85 CO 0.31 -0.55 1.91 -1.25 0.04 0.00 0.00 177.00 177.46 2dzm s PRO 86 N 2.11 2.59 0.22 0.56 0.04 -1.26 -4.93 135.00 134.32 2dzm s PRO 86 Ca 0.65 0.09 -0.21 0.00 0.04 0.00 0.00 61.00 61.57 2dzm s PRO 86 Cb -0.33 -4.78 -0.13 0.00 0.04 0.00 0.00 34.50 29.29 2dzm s PRO 86 CO 0.28 -3.10 0.30 0.45 0.04 0.00 0.00 177.00 174.97 2dzm n SER 87 N 13.45 -1.47 -4.51 6.66 2.88 -1.26 -4.82 113.62 124.54 2dzm n SER 87 Ca 0.32 0.82 -0.43 0.00 -1.33 0.00 0.00 58.87 58.25 2dzm n SER 87 Cb 0.49 -0.75 -0.04 0.00 -0.75 0.00 0.00 64.21 63.16 2dzm n SER 87 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dzm s SER 88 N -0.81 6.33 0.31 -3.46 1.04 -1.26 -5.00 113.70 110.85 2dzm s SER 88 Ca 0.50 -0.41 0.04 0.00 0.48 0.00 0.00 55.95 56.56 2dzm s SER 88 Cb -0.67 -2.42 -0.03 0.00 0.10 0.00 0.00 66.02 63.00 2dzm s SER 88 CO 0.47 -1.18 0.19 -0.44 0.98 0.00 0.00 173.24 173.26 2dzm s SER 89 N 2.81 1.55 -0.12 7.02 0.01 -1.26 -5.09 113.70 118.62 2dzm s SER 89 Ca 0.29 -1.61 -0.09 0.00 1.31 0.00 0.00 55.95 55.85 2dzm s SER 89 Cb -0.13 0.45 -0.08 0.00 0.21 0.00 0.00 66.02 66.47 2dzm s SER 89 CO 0.18 -0.94 0.22 0.77 0.41 0.00 0.00 173.24 173.88 2dzm h SER 90 N 2.19 0.00 -2.15 2.44 4.64 -2.04 -3.43 113.55 115.20 2dzm h SER 90 Ca -0.31 -0.30 -0.55 0.00 -0.47 0.00 0.00 61.79 60.16 2dzm h SER 90 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 2dzm h SER 90 CO 0.48 0.67 1.43 -1.00 -0.87 0.00 0.00 176.83 177.54 2dzm s HIS 91 N -1.79 1.43 0.05 4.77 3.76 -1.26 -4.91 115.29 117.35 2dzm s HIS 91 Ca -0.07 0.80 -0.27 0.00 -0.15 0.00 0.00 55.06 55.38 2dzm s HIS 91 Cb -0.01 -3.95 0.08 0.00 1.11 0.00 0.00 32.58 29.82 2dzm s HIS 91 CO 0.22 -3.17 0.73 0.00 -0.85 0.00 0.00 174.74 171.67 2dzm s ALA 92 N 8.68 -1.72 0.09 -1.40 0.00 -1.26 -5.14 121.76 121.01 2dzm s ALA 92 Ca 0.89 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.73 2dzm s ALA 92 Cb -0.24 0.46 0.00 0.00 0.00 0.00 0.00 23.12 23.34 2dzm s ALA 92 CO 0.31 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 175.85 2dzm n GLY 93 N -0.01 -3.61 0.10 0.00 0.00 -1.26 -5.01 105.19 95.40 2dzm n GLY 93 Ca -0.15 -0.90 -0.15 0.00 0.00 0.00 0.00 46.02 44.82 2dzm n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dzm n ALA 94 N -0.44 0.92 -1.68 4.61 0.00 -1.26 -4.94 120.51 117.72 2dzm n ALA 94 Ca 0.00 -0.84 -0.57 0.00 0.00 0.00 0.00 53.44 52.03 2dzm n ALA 94 Cb 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 19.45 19.41 2dzm n ALA 94 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dzm n LEU 95 N -4.42 2.17 -4.85 0.00 4.77 -1.26 -4.92 117.00 108.49 2dzm n LEU 95 Ca -0.26 1.09 -0.31 0.00 -0.03 0.00 0.00 56.01 56.50 2dzm n LEU 95 Cb 0.61 -1.14 0.03 0.00 -2.33 0.00 0.00 43.42 40.59 2dzm n LEU 95 CO 0.15 -0.59 0.72 -1.58 -1.33 0.00 0.00 177.39 174.75 2dzm s GLN 96 N 2.84 3.25 -1.46 3.23 0.74 -1.26 -3.82 119.66 123.18 2dzm s GLN 96 Ca 0.96 0.83 -0.13 0.00 0.05 0.00 0.00 55.36 57.07 2dzm s GLN 96 Cb -1.06 -2.03 0.13 0.00 1.10 0.00 0.00 33.01 31.14 2dzm s GLN 96 CO 0.62 -0.84 0.31 0.39 -0.55 0.00 0.00 175.29 175.22 2dzm n GLU 97 N -2.94 -0.83 -3.26 1.67 1.02 -1.26 -4.89 120.64 110.15 2dzm n GLU 97 Ca 0.07 0.10 -0.20 0.00 -0.02 0.00 0.00 57.16 57.10 2dzm n GLU 97 Cb 0.54 -3.57 0.02 0.00 -0.02 0.00 0.00 31.44 28.42 2dzm n GLU 97 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2dzm s SER 98 N -3.35 5.14 0.00 1.62 0.15 -1.25 -5.04 113.70 110.97 2dzm s SER 98 Ca 0.44 -0.80 0.00 0.00 0.70 0.00 0.00 55.95 56.29 2dzm s SER 98 Cb -0.26 -0.04 0.00 0.00 -1.71 0.00 0.00 66.02 64.01 2dzm s SER 98 CO 0.85 -1.06 0.70 0.00 1.20 0.00 0.00 173.24 174.94 2dzm n LEU 99 N -1.96 1.31 -0.75 3.45 -0.00 -1.26 -5.15 117.00 112.65 2dzm n LEU 99 Ca 0.09 -1.31 0.13 0.00 -0.00 0.00 0.00 56.01 54.91 2dzm n LEU 99 Cb 0.61 0.00 0.29 0.00 -0.00 0.00 0.00 43.42 44.32 2dzm n LEU 99 CO 0.40 0.33 0.74 -3.20 -0.00 0.00 0.00 177.39 175.65