#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dzm n SER 2 N 0.00 -3.62 -4.53 1.61 2.88 -1.26 -4.90 113.62 103.80 2dzm n SER 2 Ca 0.00 -0.86 -0.43 0.00 -1.33 0.00 0.00 58.87 56.25 2dzm n SER 2 Cb 0.00 -3.54 -0.05 0.00 -0.75 0.00 0.00 64.21 59.87 2dzm n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dzm s SER 3 N -3.52 6.39 0.00 -3.46 0.01 -1.26 -4.59 113.70 107.27 2dzm s SER 3 Ca 0.55 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.61 2dzm s SER 3 Cb -0.28 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.53 2dzm s SER 3 CO 0.86 -1.08 0.00 0.61 0.41 0.00 0.00 173.24 174.04 2dzm n GLY 4 N 5.04 -2.43 0.97 3.44 0.00 -1.26 -5.03 105.19 105.92 2dzm n GLY 4 Ca 0.02 0.82 -0.01 0.00 0.00 0.00 0.00 46.02 46.85 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 0.28 -3.34 1.61 7.64 -1.26 -4.99 113.62 113.56 2dzm n SER 5 Ca 0.00 0.04 -0.23 0.00 1.01 0.00 0.00 58.87 59.69 2dzm n SER 5 Cb 0.00 -0.09 -0.04 0.00 -1.01 0.00 0.00 64.21 63.06 2dzm n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dzm n SER 6 N -3.14 -1.24 -3.71 6.43 3.41 -1.26 -4.83 113.62 109.27 2dzm n SER 6 Ca -0.02 -0.54 -0.14 0.00 -0.26 0.00 0.00 58.87 57.91 2dzm n SER 6 Cb 0.43 -1.12 -0.08 0.00 -0.26 0.00 0.00 64.21 63.18 2dzm n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dzm s GLY 7 N -2.40 -0.23 0.26 5.00 0.00 -1.26 -5.10 107.32 103.58 2dzm s GLY 7 Ca 0.45 0.45 0.05 0.00 0.00 0.00 0.00 44.72 45.68 2dzm s GLY 7 CO 0.55 0.21 -0.03 1.09 0.00 0.00 0.00 173.10 174.93 2dzm s ARG 8 N -1.53 1.47 0.06 2.90 1.70 -1.26 -5.10 118.95 117.19 2dzm s ARG 8 Ca -0.12 -1.75 -0.19 0.00 -0.47 0.00 0.00 55.73 53.21 2dzm s ARG 8 Cb -0.04 -0.94 -0.06 0.00 -0.57 0.00 0.00 34.95 33.34 2dzm s ARG 8 CO 0.04 -0.02 0.55 -1.64 -1.08 0.00 0.00 175.30 173.15 2dzm s MET 9 N -3.78 4.18 -0.25 3.89 -1.94 -1.26 -4.18 119.30 115.96 2dzm s MET 9 Ca 0.29 0.69 -0.04 0.00 -1.71 0.00 0.00 55.69 54.93 2dzm s MET 9 Cb 0.05 -3.25 0.01 0.00 2.01 0.00 0.00 34.83 33.65 2dzm s MET 9 CO 0.11 0.62 -0.02 -0.51 -0.01 0.00 0.00 175.02 175.20 2dzm s LEU 10 N -1.01 3.21 -0.45 -0.03 1.43 -1.23 -4.98 118.68 115.62 2dzm s LEU 10 Ca 0.28 -0.66 -0.29 0.00 -1.03 0.00 0.00 54.13 52.44 2dzm s LEU 10 Cb -0.19 -1.74 0.03 0.00 0.03 0.00 0.00 46.19 44.32 2dzm s LEU 10 CO 0.18 -0.10 1.15 -0.62 0.23 0.00 0.00 176.35 177.19 2dzm s ASP 11 N 1.42 6.66 -0.35 2.29 -1.08 -1.16 -3.59 116.67 120.86 2dzm s ASP 11 Ca 0.03 0.58 -0.03 0.00 -0.52 0.00 0.00 52.55 52.61 2dzm s ASP 11 Cb -0.16 -2.55 0.08 0.00 -1.46 0.00 0.00 42.92 38.83 2dzm s ASP 11 CO -0.03 -1.21 0.10 -0.36 0.52 0.00 0.00 175.17 174.19 2dzm s PHE 12 N 4.40 3.42 -0.49 -5.34 0.08 0.07 -1.13 117.98 118.98 2dzm s PHE 12 Ca 0.48 -2.09 -0.23 0.00 0.12 0.00 0.00 56.93 55.21 2dzm s PHE 12 Cb -0.08 -2.64 0.04 0.00 -0.57 0.00 0.00 43.02 39.77 2dzm s PHE 12 CO 0.29 -0.87 0.81 0.50 -0.10 0.00 0.00 175.22 175.85 2dzm s ARG 13 N 1.21 3.33 -0.52 0.44 6.06 -1.15 -1.34 118.95 126.98 2dzm s ARG 13 Ca 0.01 -0.30 -0.17 0.00 -2.50 0.00 0.00 55.73 52.77 2dzm s ARG 13 Cb -0.21 -4.01 0.08 0.00 0.06 0.00 0.00 34.95 30.88 2dzm s ARG 13 CO -0.02 -1.26 0.55 0.08 -2.50 0.00 0.00 175.30 172.15 2dzm s VAL 14 N 3.40 5.03 -0.62 7.11 1.01 -0.67 -0.25 120.40 135.41 2dzm s VAL 14 Ca 0.27 -0.95 -0.28 0.00 0.00 0.00 0.00 61.98 61.02 2dzm s VAL 14 Cb -0.13 -4.29 0.03 0.00 0.00 0.00 0.00 36.38 31.98 2dzm s VAL 14 CO 0.20 -0.82 1.21 -0.70 0.00 0.00 0.00 175.10 174.99 2dzm s GLU 15 N 2.16 3.42 0.20 2.72 2.12 0.23 -1.91 118.70 127.63 2dzm s GLU 15 Ca 0.09 0.10 0.09 0.00 0.36 0.00 0.00 54.97 55.60 2dzm s GLU 15 Cb -0.24 -4.06 -0.04 0.00 0.26 0.00 0.00 34.13 30.05 2dzm s GLU 15 CO 0.07 -1.81 -0.06 -0.47 -0.54 0.00 0.00 175.26 172.46 2dzm s TYR 16 N 5.14 2.68 0.06 5.30 5.04 -0.78 -3.07 117.35 131.71 2dzm s TYR 16 Ca 0.40 -0.21 -0.11 0.00 -2.44 0.00 0.00 57.07 54.72 2dzm s TYR 16 Cb -0.08 -1.28 -0.02 0.00 0.35 0.00 0.00 41.96 40.93 2dzm s TYR 16 CO 0.22 0.54 0.95 0.54 -1.34 0.00 0.00 175.55 176.47 2dzm n ARG 17 N -0.20 -0.16 -0.05 4.97 5.12 -1.26 -0.63 116.66 124.45 2dzm n ARG 17 Ca -0.09 0.94 -0.14 0.00 -1.93 0.00 0.00 57.85 56.63 2dzm n ARG 17 Cb 0.56 -1.40 -0.09 0.00 -1.16 0.00 0.00 32.46 30.37 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 -1.67 -5.73 0.55 3.58 -2.00 -3.47 116.42 107.69 2dzm h ASP 18 Ca 0.06 0.21 0.30 0.00 0.42 0.00 0.00 57.03 58.02 2dzm h ASP 18 Cb 0.15 0.67 -0.08 0.00 1.72 0.00 0.00 39.33 41.78 2dzm h ASP 18 CO -0.34 -0.44 0.81 0.00 -2.88 0.00 0.00 179.24 176.39 2dzm s ARG 19 N -5.74 0.56 -0.27 0.28 1.70 0.19 -5.14 118.95 110.53 2dzm s ARG 19 Ca -0.15 -0.34 -0.15 0.00 -0.47 0.00 0.00 55.73 54.62 2dzm s ARG 19 Cb 0.08 0.17 -0.04 0.00 -0.57 0.00 0.00 34.95 34.60 2dzm s ARG 19 CO 0.62 -0.26 0.39 0.54 -1.08 0.00 0.00 175.30 175.51 2dzm s ASN 20 N -3.40 6.27 0.04 -2.89 2.20 -1.26 -1.87 114.94 114.03 2dzm s ASN 20 Ca 0.22 0.31 -0.00 0.00 -0.94 0.00 0.00 52.86 52.44 2dzm s ASN 20 Cb 0.01 -2.22 -0.04 0.00 -2.00 0.00 0.00 41.25 37.00 2dzm s ASN 20 CO -0.01 -0.20 0.16 0.54 -2.94 0.00 0.00 177.10 174.66 2dzm s VAL 21 N 2.10 5.17 -0.16 3.54 0.11 -0.80 -4.90 120.40 125.45 2dzm s VAL 21 Ca 0.16 -0.41 -0.13 0.00 -2.93 0.00 0.00 61.98 58.67 2dzm s VAL 21 Cb -0.16 -3.47 -0.05 0.00 -1.53 0.00 0.00 36.38 31.17 2dzm s VAL 21 CO 0.10 0.21 0.28 -0.62 -3.33 0.00 0.00 175.10 171.74 2dzm s ASP 22 N -2.26 6.43 -0.02 3.54 2.15 -1.26 -1.66 116.67 123.58 2dzm s ASP 22 Ca 0.31 0.50 0.07 0.00 0.43 0.00 0.00 52.55 53.86 2dzm s ASP 22 Cb -0.13 -2.17 -0.02 0.00 -0.30 0.00 0.00 42.92 40.30 2dzm s ASP 22 CO 0.23 0.12 -0.25 -0.69 -0.17 0.00 0.00 175.17 174.41 2dzm s VAL 23 N 0.39 1.96 -0.23 1.11 1.01 -0.45 -4.97 120.40 119.22 2dzm s VAL 23 Ca 0.16 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 61.07 2dzm s VAL 23 Cb -0.13 -1.63 0.07 0.00 0.00 0.00 0.00 36.38 34.69 2dzm s VAL 23 CO 0.04 0.55 0.04 -0.69 0.00 0.00 0.00 175.10 175.04 2dzm s VAL 24 N -0.52 0.78 -0.01 2.92 1.01 -1.26 -0.75 120.40 122.58 2dzm s VAL 24 Ca 0.08 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 2dzm s VAL 24 Cb -0.10 -1.33 0.00 0.00 0.00 0.00 0.00 36.38 34.95 2dzm s VAL 24 CO -0.00 -0.31 0.03 -1.48 0.00 0.00 0.00 175.10 173.33 2dzm s LEU 25 N 1.72 1.84 0.85 3.92 2.34 -1.24 -4.91 118.68 123.20 2dzm s LEU 25 Ca 0.01 0.05 -0.13 0.00 0.06 0.00 0.00 54.13 54.12 2dzm s LEU 25 Cb -0.17 0.07 0.05 0.00 -0.56 0.00 0.00 46.19 45.58 2dzm s LEU 25 CO -0.12 -0.02 0.81 1.21 -1.06 0.00 0.00 176.35 177.17 2dzm n GLU 26 N 3.16 -0.03 0.00 1.48 2.13 -1.26 -3.56 120.64 122.55 2dzm n GLU 26 Ca -0.13 0.05 0.08 0.00 0.66 0.00 0.00 57.16 57.82 2dzm n GLU 26 Cb 0.59 -2.13 0.48 0.00 0.27 0.00 0.00 31.44 30.66 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 0.06 4.31 5.68 -1.26 -2.34 116.55 120.80 2dzm n ASP 27 Ca 0.10 -0.80 0.12 0.00 -0.50 0.00 0.00 54.79 53.72 2dzm n ASP 27 Cb 0.51 0.00 0.13 0.00 -1.14 0.00 0.00 41.12 40.62 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 0.00 -4.21 2.12 1.35 -1.94 0.88 112.91 111.11 2dzm h THR 28 Ca 0.00 -0.54 -0.49 0.00 -0.55 0.00 0.00 66.41 64.83 2dzm h THR 28 Cb 0.00 1.07 0.06 0.00 -1.73 0.00 0.00 68.15 67.55 2dzm h THR 28 CO 0.00 0.00 0.38 0.00 -0.25 0.00 0.00 175.52 175.65 2dzm s THR 30 N -2.56 4.45 0.60 0.00 -4.23 -1.26 -2.00 115.64 110.65 2dzm s THR 30 Ca 0.62 1.43 0.28 0.00 -1.18 0.00 0.00 61.69 62.84 2dzm s THR 30 Cb -0.14 -3.85 0.36 0.00 1.34 0.00 0.00 72.50 70.21 2dzm s THR 30 CO 0.38 0.08 1.86 -0.37 -0.54 0.00 0.00 174.62 176.03 2dzm h VAL 31 N 2.51 0.28 0.00 2.29 -1.51 -1.32 0.40 116.25 118.90 2dzm h VAL 31 Ca -0.48 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 64.93 2dzm h VAL 31 Cb 1.19 0.59 -0.01 0.00 -2.13 0.00 0.00 31.29 30.93 2dzm h VAL 31 CO 0.65 0.00 -0.31 1.23 -1.23 0.00 0.00 177.57 177.90 2dzm h GLY 32 N 0.00 0.00 0.83 5.19 0.00 -1.79 -3.26 103.07 104.03 2dzm h GLY 32 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.48 2dzm h GLY 32 CO -0.00 0.00 -0.49 0.83 0.00 0.00 0.00 176.54 176.88 2dzm h GLU 33 N 0.00 -1.16 -0.73 4.80 4.39 -0.54 -2.68 114.58 118.67 2dzm h GLU 33 Ca -0.00 0.08 0.25 0.00 0.34 0.00 0.00 59.36 60.02 2dzm h GLU 33 Cb 0.75 0.26 -0.13 0.00 -0.10 0.00 0.00 28.75 29.53 2dzm h GLU 33 CO 0.04 -0.77 0.18 -0.89 -1.16 0.00 0.00 179.01 176.40 2dzm n ILE 34 N -5.63 -0.31 0.28 3.13 5.41 -1.23 -0.02 119.36 121.00 2dzm n ILE 34 Ca -0.15 1.55 -0.13 0.00 1.00 0.00 0.00 62.75 65.02 2dzm n ILE 34 Cb 0.50 -2.36 -0.06 0.00 -0.71 0.00 0.00 39.64 37.00 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 -0.75 -0.76 0.38 1.57 -1.64 -1.82 116.57 113.55 2dzm h LYS 35 Ca 0.52 0.05 0.08 0.00 -1.87 0.00 0.00 60.65 59.43 2dzm h LYS 35 Cb 1.22 0.17 -0.07 0.00 0.08 0.00 0.00 32.23 33.63 2dzm h LYS 35 CO -0.63 -0.50 0.43 0.37 -0.57 0.00 0.00 179.45 178.55 2dzm h GLN 36 N -0.78 0.72 -0.77 3.15 5.75 -0.39 -1.78 115.11 121.01 2dzm h GLN 36 Ca -0.07 -0.04 0.15 0.00 -0.15 0.00 0.00 58.65 58.53 2dzm h GLN 36 Cb 0.62 -0.16 -0.10 0.00 1.07 0.00 0.00 27.48 28.91 2dzm h GLN 36 CO 0.07 0.47 0.31 0.82 -2.65 0.00 0.00 178.83 177.85 2dzm h ILE 37 N 0.74 0.65 0.00 2.39 2.04 -0.49 0.43 117.51 123.26 2dzm h ILE 37 Ca 0.36 -0.15 -0.00 0.00 1.00 0.00 0.00 64.86 66.07 2dzm h ILE 37 Cb 0.30 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 2dzm h ILE 37 CO -0.23 0.08 -0.01 -0.07 0.00 0.00 0.00 178.15 177.92 2dzm h LEU 38 N 0.45 0.00 -0.15 1.44 3.38 -0.43 0.56 115.31 120.55 2dzm h LEU 38 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 2dzm h LEU 38 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2dzm h LEU 38 CO -0.41 0.01 0.00 -0.08 0.09 0.00 0.00 178.44 178.05 2dzm h GLU 39 N 0.00 0.00 -0.01 1.13 4.81 -0.08 0.41 114.58 120.84 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 0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 2dzm h GLU 39 CO 0.00 0.00 -0.44 0.09 -0.73 0.00 0.00 179.01 177.93 2dzm n ASN 40 N -2.84 0.99 0.00 1.04 3.02 0.17 -1.91 115.26 115.74 2dzm n ASN 40 Ca 0.04 -0.78 0.00 0.00 -0.03 0.00 0.00 54.58 53.81 2dzm n ASN 40 Cb 0.47 0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.95 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 -0.92 2.47 -0.00 3.52 1.02 -1.12 -4.73 120.64 120.88 2dzm n GLU 41 Ca 0.09 0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.30 2dzm n GLU 41 Cb 0.36 -1.00 -0.08 0.00 -0.02 0.00 0.00 31.44 30.70 2dzm n GLU 41 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2dzm n LEU 42 N -2.18 0.67 -1.70 -4.62 4.77 0.14 -4.98 117.00 109.10 2dzm n LEU 42 Ca 0.00 -0.48 -0.18 0.00 -0.03 0.00 0.00 56.01 55.32 2dzm n LEU 42 Cb 0.50 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.55 2dzm n LEU 42 CO 0.00 0.17 -0.20 0.00 -1.33 0.00 0.00 177.39 176.03 2dzm n GLN 43 N -1.37 -1.32 -3.95 3.23 1.13 -0.80 -4.97 117.38 109.33 2dzm n GLN 43 Ca 0.03 0.98 -0.36 0.00 -1.94 0.00 0.00 57.00 55.70 2dzm n GLN 43 Cb 0.24 -5.35 -0.08 0.00 0.11 0.00 0.00 30.24 25.16 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 -2.77 5.19 0.12 5.09 1.01 -1.25 -4.99 121.20 123.60 2dzm s ILE 44 Ca 0.00 0.10 -0.31 0.00 0.00 0.00 0.00 60.65 60.44 2dzm s ILE 44 Cb 0.00 -3.29 -0.08 0.00 0.01 0.00 0.00 42.46 39.11 2dzm s ILE 44 CO 0.00 0.56 1.36 -2.16 0.00 0.00 0.00 174.94 174.69 2dzm s PRO 45 N -0.51 4.34 0.35 2.79 0.04 -1.26 -3.81 135.00 136.94 2dzm s PRO 45 Ca 0.11 2.03 0.18 0.00 0.04 0.00 0.00 61.00 63.37 2dzm s PRO 45 Cb -0.12 -3.25 0.97 0.00 0.04 0.00 0.00 34.50 32.14 2dzm s PRO 45 CO 0.02 -0.40 1.48 0.28 0.04 0.00 0.00 177.00 178.43 2dzm h VAL 46 N 4.23 0.00 0.01 -0.36 2.07 -1.90 0.25 116.25 120.56 2dzm h VAL 46 Ca -0.42 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 66.90 2dzm h VAL 46 Cb 1.21 0.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2dzm h VAL 46 CO 0.85 0.00 -0.91 0.28 0.02 0.00 0.00 177.57 177.81 2dzm h SER 47 N 0.00 0.16 0.24 0.57 0.02 -1.98 -3.18 113.55 109.38 2dzm h SER 47 Ca 0.00 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2dzm h SER 47 Cb 0.39 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2dzm h SER 47 CO 0.00 0.98 -0.54 0.29 -1.14 0.00 0.00 176.83 176.42 2dzm n LYS 48 N -3.58 0.40 -3.77 3.45 4.76 0.84 -4.89 118.16 115.37 2dzm n LYS 48 Ca -0.03 -0.28 -0.37 0.00 -2.87 0.00 0.00 58.31 54.76 2dzm n LYS 48 Cb 0.84 -1.49 -0.06 0.00 -1.84 0.00 0.00 35.03 32.48 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 -2.79 3.57 -0.37 1.97 -1.94 -0.88 -4.06 119.30 114.81 2dzm s MET 49 Ca 0.15 0.02 0.03 0.00 -1.71 0.00 0.00 55.69 54.18 2dzm s MET 49 Cb 0.18 -3.20 0.11 0.00 2.01 0.00 0.00 34.83 33.93 2dzm s MET 49 CO 0.67 0.75 0.10 -0.51 -0.01 0.00 0.00 175.02 176.02 2dzm s LEU 50 N -1.05 4.13 -0.13 -0.03 1.43 -1.22 -4.89 118.68 116.91 2dzm s LEU 50 Ca 0.18 -2.21 -0.29 0.00 -1.03 0.00 0.00 54.13 50.77 2dzm s LEU 50 Cb -0.13 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 2dzm s LEU 50 CO 0.07 -0.36 1.61 -0.22 0.23 0.00 0.00 176.35 177.68 2dzm s LEU 51 N 0.83 4.13 0.33 1.79 1.98 -1.26 -3.21 118.68 123.27 2dzm s LEU 51 Ca 0.12 1.94 0.05 0.00 -2.89 0.00 0.00 54.13 53.35 2dzm s LEU 51 Cb -0.20 -3.53 -0.02 0.00 0.66 0.00 0.00 46.19 43.10 2dzm s LEU 51 CO -0.10 -1.05 0.33 -0.54 -1.89 0.00 0.00 176.35 173.10 2dzm s LYS 52 N 4.27 1.80 0.00 1.98 1.02 -1.23 -4.91 119.74 122.66 2dzm s LYS 52 Ca 0.71 -1.95 0.00 0.00 0.02 0.00 0.00 55.97 54.75 2dzm s LYS 52 Cb -0.29 0.36 0.00 0.00 -0.52 0.00 0.00 37.83 37.38 2dzm s LYS 52 CO 0.28 -0.69 0.00 0.41 -0.92 0.00 0.00 175.35 174.43 2dzm n GLY 53 N -0.61 0.53 1.85 -3.33 0.00 -1.26 -3.80 105.19 98.57 2dzm n GLY 53 Ca 0.06 -0.79 -0.17 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.77 -3.13 -0.07 1.61 7.02 -1.26 -4.83 117.44 114.00 2dzm n TRP 54 Ca 0.00 -0.49 -0.11 0.00 -1.02 0.00 0.00 57.50 55.89 2dzm n TRP 54 Cb 0.00 -0.70 -0.08 0.00 -2.42 0.00 0.00 31.31 28.11 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 0.00 0.00 -4.72 -0.99 1.79 -1.98 -3.44 116.57 107.23 2dzm h LYS 55 Ca -0.23 0.00 -0.69 0.00 -2.18 0.00 0.00 60.65 57.55 2dzm h LYS 55 Cb 0.75 0.00 -0.27 0.00 -1.58 0.00 0.00 32.23 31.13 2dzm h LYS 55 CO 0.14 0.61 -0.60 -0.08 -1.08 0.00 0.00 179.45 178.44 2dzm s THR 56 N -2.07 3.98 0.00 -0.16 -1.32 -1.26 -5.02 115.64 109.79 2dzm s THR 56 Ca -0.15 -0.90 0.00 0.00 -1.21 0.00 0.00 61.69 59.43 2dzm s THR 56 Cb 0.00 -3.16 0.00 0.00 -1.51 0.00 0.00 72.50 67.83 2dzm s THR 56 CO 0.43 -0.08 0.00 0.61 -2.21 0.00 0.00 174.62 173.37 2dzm n GLY 57 N 4.86 1.72 3.35 6.08 0.00 -1.26 -4.09 105.19 115.85 2dzm n GLY 57 Ca -0.13 0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.29 4.10 -0.08 1.61 2.15 -1.26 -4.44 116.67 115.46 2dzm s ASP 58 Ca 0.00 -0.35 -0.14 0.00 0.43 0.00 0.00 52.55 52.50 2dzm s ASP 58 Cb 0.00 -1.65 -0.05 0.00 -0.30 0.00 0.00 42.92 40.92 2dzm s ASP 58 CO 0.00 0.11 0.34 -0.69 -0.17 0.00 0.00 175.17 174.76 2dzm s VAL 59 N 0.70 5.21 0.22 1.11 1.01 -1.26 -5.08 120.40 122.31 2dzm s VAL 59 Ca -0.05 0.67 -0.18 0.00 0.00 0.00 0.00 61.98 62.42 2dzm s VAL 59 Cb -0.15 -3.65 -0.08 0.00 0.00 0.00 0.00 36.38 32.49 2dzm s VAL 59 CO 0.02 0.49 0.69 -1.83 0.00 0.00 0.00 175.10 174.47 2dzm s GLU 60 N -0.38 4.16 0.51 2.72 -1.05 -1.26 -4.93 118.70 118.47 2dzm s GLU 60 Ca 0.20 0.76 0.28 0.00 -0.15 0.00 0.00 54.97 56.06 2dzm s GLU 60 Cb -0.15 -2.83 1.51 0.00 -0.44 0.00 0.00 34.13 32.23 2dzm s GLU 60 CO 0.09 0.38 1.83 0.38 0.95 0.00 0.00 175.26 178.88 2dzm h ASP 61 N 3.28 0.00 -0.08 0.83 3.04 -1.98 0.14 116.42 121.66 2dzm h ASP 61 Ca -0.48 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.31 2dzm h ASP 61 Cb 1.19 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.48 2dzm h ASP 61 CO 0.65 0.00 0.00 -1.20 -2.04 0.00 0.00 179.24 176.65 2dzm n SER 62 N -2.60 0.96 -4.69 4.15 7.64 -1.26 -3.83 113.62 113.99 2dzm n SER 62 Ca -0.02 -2.05 -0.26 0.00 1.01 0.00 0.00 58.87 57.55 2dzm n SER 62 Cb 0.21 -0.27 -0.07 0.00 -1.01 0.00 0.00 64.21 63.07 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 -1.56 3.82 -0.02 0.44 2.01 0.50 -5.04 115.64 115.78 2dzm s THR 63 Ca 0.06 -1.44 0.02 0.00 0.31 0.00 0.00 61.69 60.64 2dzm s THR 63 Cb 0.04 -2.94 -0.03 0.00 0.01 0.00 0.00 72.50 69.57 2dzm s THR 63 CO 0.03 -0.15 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.05 2dzm s VAL 64 N -1.82 3.71 0.17 3.82 1.01 -1.26 -1.11 120.40 124.91 2dzm s VAL 64 Ca 0.29 -0.67 -0.19 0.00 0.00 0.00 0.00 61.98 61.41 2dzm s VAL 64 Cb -0.09 -2.59 0.10 0.00 0.00 0.00 0.00 36.38 33.80 2dzm s VAL 64 CO 0.20 0.46 1.64 -0.07 0.00 0.00 0.00 175.10 177.32 2dzm h LEU 65 N 4.73 -0.62 -1.79 3.92 3.38 -1.49 0.16 115.31 123.60 2dzm h LEU 65 Ca -0.49 0.15 0.29 0.00 0.09 0.00 0.00 57.88 57.93 2dzm h LEU 65 Cb 1.17 0.34 -0.06 0.00 0.09 0.00 0.00 40.66 42.20 2dzm h LEU 65 CO 0.54 -0.21 0.74 0.07 0.09 0.00 0.00 178.44 179.66 2dzm h LYS 66 N -0.11 0.13 -0.63 1.13 2.10 0.56 0.38 116.57 120.13 2dzm h LYS 66 Ca 0.19 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.83 2dzm h LYS 66 Cb 0.41 -0.03 -0.03 0.00 -0.90 0.00 0.00 32.23 31.68 2dzm h LYS 66 CO -0.46 0.09 0.38 1.03 -2.00 0.00 0.00 179.45 178.48 2dzm h SER 67 N 0.13 0.76 1.18 7.07 0.87 -0.94 -2.69 113.55 119.93 2dzm h SER 67 Ca 0.54 -0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.98 2dzm h SER 67 Cb 1.86 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 63.62 2dzm h SER 67 CO -0.10 0.60 -0.85 -0.07 -0.53 0.00 0.00 176.83 175.88 2dzm h LEU 68 N 0.85 0.00 -1.71 2.23 3.38 -0.56 -3.48 115.31 116.03 2dzm h LEU 68 Ca 0.23 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.81 2dzm h LEU 68 Cb -0.02 0.00 0.10 0.00 0.09 0.00 0.00 40.66 40.83 2dzm h LEU 68 CO -0.04 0.20 -0.80 1.41 0.09 0.00 0.00 178.44 179.30 2dzm n HIS 69 N -2.88 -2.04 -1.45 1.13 8.25 0.10 -4.87 115.22 113.46 2dzm n HIS 69 Ca -0.01 0.88 -0.43 0.00 -0.26 0.00 0.00 57.72 57.90 2dzm n HIS 69 Cb 0.64 -4.68 -0.01 0.00 1.12 0.00 0.00 29.99 27.06 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 -4.23 -0.20 -4.77 2.41 7.99 -1.26 -4.92 117.00 112.03 2dzm n LEU 70 Ca -0.29 0.99 -0.32 0.00 -0.01 0.00 0.00 56.01 56.38 2dzm n LEU 70 Cb 0.67 -1.09 0.07 0.00 -0.11 0.00 0.00 43.42 42.96 2dzm n LEU 70 CO 0.65 -2.75 0.72 -2.16 -1.51 0.00 0.00 177.39 172.34 2dzm s PRO 71 N -1.41 2.54 0.17 3.23 0.04 -1.26 -4.91 135.00 133.39 2dzm s PRO 71 Ca 0.62 1.28 -0.15 0.00 0.04 0.00 0.00 61.00 62.79 2dzm s PRO 71 Cb -0.69 -1.92 0.15 0.00 0.04 0.00 0.00 34.50 32.08 2dzm s PRO 71 CO 0.59 -1.44 1.16 1.17 0.04 0.00 0.00 177.00 178.52 2dzm n LYS 72 N -2.96 -0.20 -4.02 4.56 4.81 -1.26 -4.10 118.16 114.99 2dzm n LYS 72 Ca 0.10 1.15 -0.35 0.00 -0.87 0.00 0.00 58.31 58.33 2dzm n LYS 72 Cb 0.52 -1.71 -0.08 0.00 0.02 0.00 0.00 35.03 33.78 2dzm n LYS 72 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2dzm s ASN 73 N -5.28 5.85 0.18 3.14 -0.87 -1.26 -3.00 114.94 113.69 2dzm s ASN 73 Ca -0.10 0.24 0.07 0.00 -1.57 0.00 0.00 52.86 51.50 2dzm s ASN 73 Cb 0.14 -1.90 -0.04 0.00 -0.02 0.00 0.00 41.25 39.43 2dzm s ASN 73 CO 0.53 0.30 -0.15 0.20 -2.57 0.00 0.00 177.10 175.41 2dzm s ASN 74 N -0.36 2.45 -0.22 -1.22 0.01 -0.28 -5.01 114.94 110.31 2dzm s ASN 74 Ca 0.10 -0.97 -0.03 0.00 -0.71 0.00 0.00 52.86 51.24 2dzm s ASN 74 Cb -0.12 -0.12 0.07 0.00 0.41 0.00 0.00 41.25 41.49 2dzm s ASN 74 CO 0.02 -0.16 0.08 -0.94 -1.51 0.00 0.00 177.10 174.58 2dzm s SER 75 N -3.11 2.96 0.39 -1.22 1.04 -1.26 -2.92 113.70 109.58 2dzm s SER 75 Ca 0.19 -0.93 0.08 0.00 0.48 0.00 0.00 55.95 55.78 2dzm s SER 75 Cb -0.02 -0.47 -0.07 0.00 0.10 0.00 0.00 66.02 65.56 2dzm s SER 75 CO 0.06 -0.35 -0.02 -0.76 0.98 0.00 0.00 173.24 173.14 2dzm s LEU 76 N 1.96 2.84 -0.12 2.42 1.43 0.65 -4.86 118.68 123.01 2dzm s LEU 76 Ca 0.03 -1.29 -0.19 0.00 -1.03 0.00 0.00 54.13 51.64 2dzm s LEU 76 Cb -0.17 -0.96 0.05 0.00 0.03 0.00 0.00 46.19 45.14 2dzm s LEU 76 CO -0.15 -0.36 0.48 -0.72 0.23 0.00 0.00 176.35 175.83 2dzm s TYR 77 N -2.67 -0.47 -0.08 0.29 1.13 -1.25 -0.60 117.35 113.70 2dzm s TYR 77 Ca 0.34 1.02 -0.04 0.00 -1.41 0.00 0.00 57.07 56.98 2dzm s TYR 77 Cb 0.07 0.20 -0.04 0.00 -1.10 0.00 0.00 41.96 41.09 2dzm s TYR 77 CO 0.18 -0.36 0.10 0.08 -2.51 0.00 0.00 175.55 173.04 2dzm s VAL 78 N -0.41 5.08 -0.30 -3.49 1.01 -1.18 -3.48 120.40 117.63 2dzm s VAL 78 Ca -0.05 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 61.91 2dzm s VAL 78 Cb -0.03 -3.23 0.09 0.00 0.00 0.00 0.00 36.38 33.21 2dzm s VAL 78 CO 0.03 0.55 0.05 -0.76 0.00 0.00 0.00 175.10 174.98 2dzm s LEU 79 N -1.18 3.18 -0.66 3.92 1.02 -1.20 -4.66 118.68 119.11 2dzm s LEU 79 Ca 0.17 -1.72 -0.11 0.00 0.02 0.00 0.00 54.13 52.49 2dzm s LEU 79 Cb -0.12 -1.19 0.17 0.00 0.02 0.00 0.00 46.19 45.07 2dzm s LEU 79 CO 0.06 -0.37 0.56 0.42 0.02 0.00 0.00 176.35 177.05 2dzm s THR 80 N 1.33 4.87 0.09 5.49 -4.23 -1.26 -3.46 115.64 118.46 2dzm s THR 80 Ca 0.07 -2.24 -0.16 0.00 -1.18 0.00 0.00 61.69 58.18 2dzm s THR 80 Cb -0.18 -4.09 -0.10 0.00 1.34 0.00 0.00 72.50 69.47 2dzm s THR 80 CO -0.15 -0.92 1.40 1.55 -0.54 0.00 0.00 174.62 175.97 2dzm h PRO 81 N 7.98 0.62 0.17 3.99 0.13 -1.98 -3.34 132.00 139.57 2dzm h PRO 81 Ca -0.06 -0.33 -0.01 0.00 -0.87 0.00 0.00 66.00 64.73 2dzm h PRO 81 Cb 1.04 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2dzm h PRO 81 CO 0.82 0.93 -0.08 0.22 -0.23 0.00 0.00 178.00 179.66 2dzm h ASP 82 N 0.34 -0.20 -1.88 1.44 1.82 -1.91 -3.44 116.42 112.60 2dzm h ASP 82 Ca 0.04 -0.24 -0.66 0.00 -0.39 0.00 0.00 57.03 55.78 2dzm h ASP 82 Cb 0.81 0.05 0.02 0.00 0.68 0.00 0.00 39.33 40.90 2dzm h ASP 82 CO 0.06 0.36 0.98 -0.11 -1.61 0.00 0.00 179.24 178.92 2dzm n LEU 83 N -4.92 2.99 -4.77 2.28 7.94 -1.26 -4.93 117.00 114.34 2dzm n LEU 83 Ca -0.06 1.02 -0.32 0.00 -1.11 0.00 0.00 56.01 55.55 2dzm n LEU 83 Cb 0.21 -1.29 0.08 0.00 0.53 0.00 0.00 43.42 42.95 2dzm n LEU 83 CO 0.18 -0.24 0.71 -2.16 -1.11 0.00 0.00 177.39 174.77 2dzm s PRO 84 N 3.47 2.43 1.01 1.96 0.04 -1.26 -4.87 135.00 137.77 2dzm s PRO 84 Ca 0.93 1.24 -0.12 0.00 0.04 0.00 0.00 61.00 63.09 2dzm s PRO 84 Cb -0.83 -1.91 0.20 0.00 0.04 0.00 0.00 34.50 32.00 2dzm s PRO 84 CO 0.55 -1.52 1.09 -1.25 0.04 0.00 0.00 177.00 175.91 2dzm s PRO 85 N -4.64 0.33 -0.13 0.56 0.04 -1.26 -4.95 135.00 124.95 2dzm s PRO 85 Ca 0.63 0.50 -0.29 0.00 0.04 0.00 0.00 61.00 61.87 2dzm s PRO 85 Cb -0.18 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 2dzm s PRO 85 CO 0.51 -2.79 1.55 -1.25 0.04 0.00 0.00 177.00 175.06 2dzm s PRO 86 N -4.96 4.07 1.09 0.56 0.04 -1.26 -5.01 135.00 129.53 2dzm s PRO 86 Ca 0.66 1.89 -0.15 0.00 0.04 0.00 0.00 61.00 63.43 2dzm s PRO 86 Cb -0.19 -3.95 0.24 0.00 0.04 0.00 0.00 34.50 30.64 2dzm s PRO 86 CO 0.58 -0.96 1.10 0.45 0.04 0.00 0.00 177.00 178.21 2dzm s SER 87 N 3.31 1.83 0.35 6.66 0.15 -1.26 -5.08 113.70 119.66 2dzm s SER 87 Ca 0.68 0.91 0.04 0.00 0.70 0.00 0.00 55.95 58.28 2dzm s SER 87 Cb -0.28 -1.39 -0.05 0.00 -1.71 0.00 0.00 66.02 62.59 2dzm s SER 87 CO 0.26 -3.59 0.08 -0.94 1.20 0.00 0.00 173.24 170.24 2dzm s SER 88 N -3.67 2.49 0.76 5.45 1.04 -1.26 -5.16 113.70 113.35 2dzm s SER 88 Ca 0.68 -1.47 -0.10 0.00 0.48 0.00 0.00 55.95 55.55 2dzm s SER 88 Cb -0.15 0.10 0.07 0.00 0.10 0.00 0.00 66.02 66.15 2dzm s SER 88 CO 0.57 -0.71 1.10 -0.44 0.98 0.00 0.00 173.24 174.74 2dzm s SER 89 N -3.53 4.70 -0.16 7.02 0.01 -1.26 -5.03 113.70 115.45 2dzm s SER 89 Ca 0.32 0.67 -0.23 0.00 1.31 0.00 0.00 55.95 58.02 2dzm s SER 89 Cb 0.07 -1.25 -0.20 0.00 0.21 0.00 0.00 66.02 64.84 2dzm s SER 89 CO 0.15 -1.74 0.46 -1.28 0.41 0.00 0.00 173.24 171.24 2dzm h SER 90 N -0.83 0.00 -3.34 2.44 0.87 -2.07 -3.46 113.55 107.15 2dzm h SER 90 Ca -0.45 -0.69 -0.65 0.00 -1.23 0.00 0.00 61.79 58.77 2dzm h SER 90 Cb 1.32 0.00 -0.24 0.00 -0.44 0.00 0.00 62.40 63.04 2dzm h SER 90 CO 0.64 1.13 -0.71 -1.00 -0.53 0.00 0.00 176.83 176.35 2dzm s HIS 91 N -2.22 2.92 -0.20 2.24 3.76 -1.26 -5.10 115.29 115.43 2dzm s HIS 91 Ca -0.21 -0.43 -0.00 0.00 -0.15 0.00 0.00 55.06 54.27 2dzm s HIS 91 Cb 0.01 -1.89 0.01 0.00 1.11 0.00 0.00 32.58 31.82 2dzm s HIS 91 CO 0.58 -0.09 -0.14 0.00 -0.85 0.00 0.00 174.74 174.24 2dzm s ALA 92 N 0.27 2.50 -0.29 -1.40 0.00 -1.26 -5.09 121.76 116.49 2dzm s ALA 92 Ca -0.06 -1.25 -0.24 0.00 0.00 0.00 0.00 51.96 50.41 2dzm s ALA 92 Cb -0.15 -1.38 0.14 0.00 0.00 0.00 0.00 23.12 21.74 2dzm s ALA 92 CO 0.04 -0.44 1.14 0.20 0.00 0.00 0.00 175.76 176.70 2dzm s GLY 93 N 1.34 0.00 -0.13 0.00 0.00 -1.26 -5.18 107.32 102.09 2dzm s GLY 93 Ca 0.04 2.95 -0.29 0.00 0.00 0.00 0.00 44.72 47.42 2dzm s GLY 93 CO -0.09 1.92 0.79 0.00 0.00 0.00 0.00 173.10 175.71 2dzm s ALA 94 N 0.25 -1.82 0.02 3.20 0.00 -1.26 -5.08 121.76 117.07 2dzm s ALA 94 Ca 0.04 1.55 -0.29 0.00 0.00 0.00 0.00 51.96 53.26 2dzm s ALA 94 Cb -0.05 -0.49 -0.16 0.00 0.00 0.00 0.00 23.12 22.42 2dzm s ALA 94 CO -0.09 -0.34 1.20 1.25 0.00 0.00 0.00 175.76 177.78 2dzm h LEU 95 N 3.36 -0.88 -7.00 0.00 5.85 -2.08 -3.47 115.31 111.09 2dzm h LEU 95 Ca -0.26 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.51 2dzm h LEU 95 Cb 1.15 0.23 -0.23 0.00 0.37 0.00 0.00 40.66 42.18 2dzm h LEU 95 CO 0.29 -0.52 0.32 -1.58 -0.34 0.00 0.00 178.44 176.61 2dzm s GLN 96 N -4.94 0.72 -0.33 1.25 0.74 -1.26 -5.14 119.66 110.70 2dzm s GLN 96 Ca -0.15 0.62 -0.06 0.00 0.05 0.00 0.00 55.36 55.82 2dzm s GLN 96 Cb 0.02 0.35 0.04 0.00 1.10 0.00 0.00 33.01 34.51 2dzm s GLN 96 CO 0.46 -0.13 0.09 -2.00 -0.55 0.00 0.00 175.29 173.15 2dzm s GLU 97 N -0.13 2.66 0.04 1.67 2.56 -1.26 -5.01 118.70 119.23 2dzm s GLU 97 Ca -0.01 -1.15 -0.20 0.00 0.00 0.00 0.00 54.97 53.62 2dzm s GLU 97 Cb -0.04 -3.42 -0.10 0.00 2.00 0.00 0.00 34.13 32.57 2dzm s GLU 97 CO -0.00 -0.63 1.30 0.77 -0.56 0.00 0.00 175.26 176.14 2dzm h SER 98 N 8.20 -0.68 -3.64 -1.70 0.02 -2.05 -3.39 113.55 110.30 2dzm h SER 98 Ca -0.24 0.04 -0.69 0.00 -0.84 0.00 0.00 61.79 60.06 2dzm h SER 98 Cb 1.09 0.20 -0.28 0.00 0.14 0.00 0.00 62.40 63.55 2dzm h SER 98 CO 0.60 -0.40 -0.63 -0.22 -1.14 0.00 0.00 176.83 175.03 2dzm s LEU 99 N -7.33 4.01 0.00 5.07 1.98 -1.26 -5.35 118.68 115.80 2dzm s LEU 99 Ca -0.10 -0.97 0.00 0.00 -2.89 0.00 0.00 54.13 50.17 2dzm s LEU 99 Cb 0.02 -1.84 0.00 0.00 0.66 0.00 0.00 46.19 45.03 2dzm s LEU 99 CO 0.32 -0.25 0.45 0.59 -1.89 0.00 0.00 176.35 175.57