#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 -4.60 -2.34 1.61 2.88 -1.26 -4.88 113.62 105.04 2dzm n SER 2 Ca 0.00 -0.71 -0.33 0.00 -1.33 0.00 0.00 58.87 56.51 2dzm n SER 2 Cb 0.00 -4.32 0.07 0.00 -0.75 0.00 0.00 64.21 59.21 2dzm n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dzm n SER 3 N -2.94 7.50 -1.58 -3.46 2.88 -1.26 -4.95 113.62 109.81 2dzm n SER 3 Ca -0.03 -3.68 0.00 0.00 -1.33 0.00 0.00 58.87 53.82 2dzm n SER 3 Cb 0.57 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 2dzm n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dzm n GLY 4 N -0.66 0.92 3.46 0.46 0.00 -1.26 -4.93 105.19 103.18 2dzm n GLY 4 Ca 0.57 -1.94 -0.47 0.00 0.00 0.00 0.00 46.02 44.19 2dzm n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dzm n SER 5 N -1.69 1.68 -3.69 1.61 3.41 -1.26 -4.88 113.62 108.80 2dzm n SER 5 Ca 0.00 0.21 -0.13 0.00 -0.26 0.00 0.00 58.87 58.69 2dzm n SER 5 Cb 0.00 -1.23 -0.07 0.00 -0.26 0.00 0.00 64.21 62.65 2dzm n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dzm s SER 6 N 8.50 -0.26 0.00 4.04 0.15 -1.26 -5.08 113.70 119.79 2dzm s SER 6 Ca 1.14 0.03 0.00 0.00 0.70 0.00 0.00 55.95 57.82 2dzm s SER 6 Cb -0.86 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 63.85 2dzm s SER 6 CO 0.46 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 174.90 2dzm n GLY 7 N 0.71 -2.74 3.55 9.45 0.00 -1.26 -4.80 105.19 110.10 2dzm n GLY 7 Ca -0.19 -0.46 -0.45 0.00 0.00 0.00 0.00 46.02 44.92 2dzm n GLY 7 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2dzm n ARG 8 N 0.07 1.08 -2.61 1.61 1.85 -1.26 -4.04 116.66 113.36 2dzm n ARG 8 Ca 0.00 0.38 -0.33 0.00 -1.00 0.00 0.00 57.85 56.90 2dzm n ARG 8 Cb 0.00 -1.69 -0.05 0.00 -1.05 0.00 0.00 32.46 29.67 2dzm n ARG 8 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 2dzm s MET 9 N -1.49 4.06 -0.07 2.89 -1.94 -1.26 -2.48 119.30 119.02 2dzm s MET 9 Ca 0.60 1.08 0.04 0.00 -1.71 0.00 0.00 55.69 55.70 2dzm s MET 9 Cb -0.73 -2.15 0.00 0.00 2.01 0.00 0.00 34.83 33.97 2dzm s MET 9 CO 0.59 -0.18 -0.18 -0.51 -0.01 0.00 0.00 175.02 174.73 2dzm s LEU 10 N -3.59 1.88 -0.65 -0.03 1.43 -1.07 -4.92 118.68 111.73 2dzm s LEU 10 Ca 0.61 -0.40 -0.23 0.00 -1.03 0.00 0.00 54.13 53.08 2dzm s LEU 10 Cb -0.10 -1.06 0.06 0.00 0.03 0.00 0.00 46.19 45.12 2dzm s LEU 10 CO 0.21 0.12 0.99 -0.62 0.23 0.00 0.00 176.35 177.28 2dzm s ASP 11 N 0.32 6.19 -0.33 2.29 -1.08 -1.24 -3.23 116.67 119.59 2dzm s ASP 11 Ca -0.11 -0.87 -0.16 0.00 -0.52 0.00 0.00 52.55 50.88 2dzm s ASP 11 Cb -0.15 -2.43 -0.02 0.00 -1.46 0.00 0.00 42.92 38.86 2dzm s ASP 11 CO 0.05 -1.45 0.41 -0.36 0.52 0.00 0.00 175.17 174.33 2dzm s PHE 12 N 4.19 3.21 -0.56 -5.34 0.08 0.81 -2.75 117.98 117.62 2dzm s PHE 12 Ca 0.24 0.14 -0.19 0.00 0.12 0.00 0.00 56.93 57.25 2dzm s PHE 12 Cb -0.16 -2.72 0.09 0.00 -0.57 0.00 0.00 43.02 39.66 2dzm s PHE 12 CO 0.12 -0.41 0.66 0.50 -0.10 0.00 0.00 175.22 175.99 2dzm s ARG 13 N 2.14 3.07 -0.49 0.44 3.52 -1.10 -0.43 118.95 126.10 2dzm s ARG 13 Ca 0.14 -1.17 -0.23 0.00 -0.13 0.00 0.00 55.73 54.35 2dzm s ARG 13 Cb -0.16 -4.20 0.04 0.00 -1.56 0.00 0.00 34.95 29.06 2dzm s ARG 13 CO 0.12 -1.40 0.82 0.08 -0.81 0.00 0.00 175.30 174.10 2dzm s VAL 14 N 2.61 4.59 -0.59 7.11 1.01 -0.55 -0.51 120.40 134.07 2dzm s VAL 14 Ca 0.12 0.26 -0.26 0.00 0.00 0.00 0.00 61.98 62.11 2dzm s VAL 14 Cb -0.22 -4.39 0.04 0.00 0.00 0.00 0.00 36.38 31.80 2dzm s VAL 14 CO 0.08 -0.86 1.06 -0.70 0.00 0.00 0.00 175.10 174.68 2dzm s GLU 15 N 3.42 3.36 0.10 2.72 2.12 0.35 -2.18 118.70 128.60 2dzm s GLU 15 Ca 0.28 -0.14 0.09 0.00 0.36 0.00 0.00 54.97 55.57 2dzm s GLU 15 Cb -0.13 -4.07 -0.04 0.00 0.26 0.00 0.00 34.13 30.16 2dzm s GLU 15 CO 0.20 -1.64 -0.21 -0.47 -0.54 0.00 0.00 175.26 172.60 2dzm s TYR 16 N 4.45 2.46 0.13 5.30 5.04 -1.15 -3.39 117.35 130.19 2dzm s TYR 16 Ca 0.34 -0.31 -0.20 0.00 -2.44 0.00 0.00 57.07 54.46 2dzm s TYR 16 Cb -0.11 -1.34 0.00 0.00 0.35 0.00 0.00 41.96 40.87 2dzm s TYR 16 CO 0.20 0.33 1.12 0.54 -1.34 0.00 0.00 175.55 176.40 2dzm n ARG 17 N 1.04 -0.28 0.01 4.97 1.74 -1.26 -0.43 116.66 122.45 2dzm n ARG 17 Ca -0.16 1.10 -0.11 0.00 -0.77 0.00 0.00 57.85 57.90 2dzm n ARG 17 Cb 0.53 -1.62 -0.07 0.00 -1.02 0.00 0.00 32.46 30.27 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 -1.26 -5.62 0.55 1.82 -1.96 -3.48 116.42 106.47 2dzm h ASP 18 Ca 0.15 0.15 0.31 0.00 -0.39 0.00 0.00 57.03 57.25 2dzm h ASP 18 Cb 0.33 0.49 -0.12 0.00 0.68 0.00 0.00 39.33 40.70 2dzm h ASP 18 CO -0.69 -0.37 0.81 0.00 -1.61 0.00 0.00 179.24 177.38 2dzm s ARG 19 N -5.01 0.43 -0.06 0.28 1.70 0.43 -4.86 118.95 111.86 2dzm s ARG 19 Ca -0.12 -0.23 -0.22 0.00 -0.47 0.00 0.00 55.73 54.69 2dzm s ARG 19 Cb 0.05 0.15 -0.04 0.00 -0.57 0.00 0.00 34.95 34.54 2dzm s ARG 19 CO 0.45 -0.20 0.66 -0.80 -1.08 0.00 0.00 175.30 174.33 2dzm s ASN 20 N -2.91 6.96 0.02 -2.89 -0.87 -1.26 -2.92 114.94 111.07 2dzm s ASN 20 Ca 0.14 1.15 0.09 0.00 -1.57 0.00 0.00 52.86 52.66 2dzm s ASN 20 Cb 0.04 -2.39 -0.03 0.00 -0.02 0.00 0.00 41.25 38.85 2dzm s ASN 20 CO -0.04 -0.06 -0.26 0.54 -2.57 0.00 0.00 177.10 174.72 2dzm s VAL 21 N 0.58 2.15 -0.07 1.60 0.11 -0.93 -4.96 120.40 118.89 2dzm s VAL 21 Ca 0.35 -1.28 -0.16 0.00 -2.93 0.00 0.00 61.98 57.95 2dzm s VAL 21 Cb -0.18 -1.81 -0.05 0.00 -1.53 0.00 0.00 36.38 32.82 2dzm s VAL 21 CO 0.17 0.44 0.43 -0.62 -3.33 0.00 0.00 175.10 172.19 2dzm s ASP 22 N -1.04 6.72 -0.03 3.54 2.15 -1.26 -1.48 116.67 125.27 2dzm s ASP 22 Ca 0.11 0.85 0.07 0.00 0.43 0.00 0.00 52.55 54.01 2dzm s ASP 22 Cb -0.10 -2.26 -0.02 0.00 -0.30 0.00 0.00 42.92 40.24 2dzm s ASP 22 CO 0.01 0.15 -0.23 -0.69 -0.17 0.00 0.00 175.17 174.24 2dzm s VAL 23 N -0.13 1.84 -0.15 1.11 1.01 0.43 -4.94 120.40 119.56 2dzm s VAL 23 Ca 0.24 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.24 2dzm s VAL 23 Cb -0.16 -1.53 0.02 0.00 0.00 0.00 0.00 36.38 34.71 2dzm s VAL 23 CO 0.11 0.52 -0.14 -0.69 0.00 0.00 0.00 175.10 174.89 2dzm s VAL 24 N -0.43 1.62 -0.20 2.92 1.01 -1.26 -0.14 120.40 123.93 2dzm s VAL 24 Ca 0.06 -0.68 -0.12 0.00 0.00 0.00 0.00 61.98 61.23 2dzm s VAL 24 Cb -0.10 -1.53 0.06 0.00 0.00 0.00 0.00 36.38 34.82 2dzm s VAL 24 CO 0.00 0.45 0.49 -1.48 0.00 0.00 0.00 175.10 174.56 2dzm s LEU 25 N 1.46 -0.30 1.03 3.92 2.34 -1.20 -4.92 118.68 121.02 2dzm s LEU 25 Ca 0.05 1.07 -0.14 0.00 0.06 0.00 0.00 54.13 55.17 2dzm s LEU 25 Cb -0.13 1.67 0.12 0.00 -0.56 0.00 0.00 46.19 47.28 2dzm s LEU 25 CO -0.11 -0.20 0.50 -1.84 -1.06 0.00 0.00 176.35 173.64 2dzm n GLU 26 N 4.10 -1.08 0.02 1.48 0.00 -1.26 -2.59 120.64 121.32 2dzm n GLU 26 Ca -0.21 -0.28 0.11 0.00 0.00 0.00 0.00 57.16 56.78 2dzm n GLU 26 Cb 0.56 -1.94 0.47 0.00 0.00 0.00 0.00 31.44 30.53 2dzm n GLU 26 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 2dzm n ASP 27 N -2.50 0.15 0.12 -1.84 5.75 -1.03 -2.66 116.55 114.54 2dzm n ASP 27 Ca 0.05 0.52 0.13 0.00 -0.01 0.00 0.00 54.79 55.48 2dzm n ASP 27 Cb 0.56 -0.56 0.38 0.00 -1.03 0.00 0.00 41.12 40.46 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 0.00 -4.17 2.12 1.35 -1.87 0.47 112.91 110.82 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 0.42 1.54 0.05 0.00 -1.73 0.00 0.00 68.15 68.44 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 -2.35 4.21 0.56 0.00 2.01 -1.26 -2.35 115.64 116.46 2dzm s THR 30 Ca 0.64 1.98 0.35 0.00 0.31 0.00 0.00 61.69 64.97 2dzm s THR 30 Cb -0.16 -4.28 0.52 0.00 0.01 0.00 0.00 72.50 68.59 2dzm s THR 30 CO 0.33 0.48 1.77 -0.37 -0.69 0.00 0.00 174.62 176.14 2dzm h VAL 31 N 3.33 0.35 -0.16 3.82 -1.51 -1.46 0.55 116.25 121.17 2dzm h VAL 31 Ca -0.45 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 64.96 2dzm h VAL 31 Cb 1.20 0.39 -0.01 0.00 -2.13 0.00 0.00 31.29 30.74 2dzm h VAL 31 CO 0.68 0.00 -0.16 1.23 -1.23 0.00 0.00 177.57 178.09 2dzm h GLY 32 N 0.00 0.29 0.08 5.19 0.00 -1.78 -3.17 103.07 103.68 2dzm h GLY 32 Ca 0.51 -0.19 0.03 0.00 0.00 0.00 0.00 47.33 47.68 2dzm h GLY 32 CO -0.01 0.17 -0.48 0.83 0.00 0.00 0.00 176.54 177.06 2dzm h GLU 33 N 0.25 -0.62 -0.74 4.80 4.39 -0.22 -1.45 114.58 121.00 2dzm h GLU 33 Ca 0.05 0.04 0.25 0.00 0.34 0.00 0.00 59.36 60.04 2dzm h GLU 33 Cb 0.43 0.14 -0.14 0.00 -0.10 0.00 0.00 28.75 29.09 2dzm h GLU 33 CO 0.03 -0.41 0.17 -0.89 -1.16 0.00 0.00 179.01 176.75 2dzm n ILE 34 N -5.46 -0.31 0.46 3.13 5.41 -1.20 0.36 119.36 121.74 2dzm n ILE 34 Ca -0.07 1.57 -0.20 0.00 1.00 0.00 0.00 62.75 65.06 2dzm n ILE 34 Cb 0.39 -2.40 -0.10 0.00 -0.71 0.00 0.00 39.64 36.82 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 -1.18 0.00 0.38 1.57 -1.42 -1.69 116.57 114.23 2dzm h LYS 35 Ca 0.52 0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 59.38 2dzm h LYS 35 Cb 1.23 0.27 -0.00 0.00 0.08 0.00 0.00 32.23 33.81 2dzm h LYS 35 CO -0.64 -0.79 -0.02 0.37 -0.57 0.00 0.00 179.45 177.79 2dzm h GLN 36 N -1.23 0.00 -0.32 3.15 5.75 -0.03 -2.36 115.11 120.06 2dzm h GLN 36 Ca -0.11 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.37 2dzm h GLN 36 Cb 0.97 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.51 2dzm h GLN 36 CO 0.14 0.02 0.14 0.82 -2.65 0.00 0.00 178.83 177.31 2dzm h ILE 37 N 0.00 1.17 -0.06 2.39 2.04 0.02 -2.05 117.51 121.03 2dzm h ILE 37 Ca -0.00 -0.50 0.02 0.00 1.00 0.00 0.00 64.86 65.38 2dzm h ILE 37 Cb 0.04 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2dzm h ILE 37 CO 0.00 0.18 0.13 -0.07 0.00 0.00 0.00 178.15 178.39 2dzm h LEU 38 N 0.38 0.00 -0.04 1.44 3.38 -0.76 0.35 115.31 120.07 2dzm h LEU 38 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2dzm h LEU 38 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2dzm h LEU 38 CO -0.01 0.00 0.00 1.21 0.09 0.00 0.00 178.44 179.73 2dzm n GLU 39 N -3.35 0.26 0.00 1.13 2.13 -0.77 0.02 120.64 120.05 2dzm n GLU 39 Ca -0.01 0.23 0.12 0.00 0.66 0.00 0.00 57.16 58.15 2dzm n GLU 39 Cb 0.21 -1.81 0.13 0.00 0.27 0.00 0.00 31.44 30.25 2dzm n GLU 39 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2dzm n ASN 40 N -2.26 1.30 0.00 4.31 3.02 0.12 -2.38 115.26 119.36 2dzm n ASN 40 Ca 0.05 -1.04 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 2dzm n ASN 40 Cb 0.42 0.43 0.00 0.00 -0.61 0.00 0.00 39.78 40.02 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 -0.71 1.35 0.00 3.52 -0.58 -1.15 -4.74 120.64 118.32 2dzm n GLU 41 Ca 0.09 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.90 2dzm n GLU 41 Cb 0.39 -0.98 -0.01 0.00 -0.57 0.00 0.00 31.44 30.27 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 -2.27 1.46 -2.55 -4.62 4.77 0.10 -4.98 117.00 108.91 2dzm n LEU 42 Ca 0.00 -0.73 -0.20 0.00 -0.03 0.00 0.00 56.01 55.05 2dzm n LEU 42 Cb 0.48 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.57 2dzm n LEU 42 CO 0.00 0.29 -0.19 0.00 -1.33 0.00 0.00 177.39 176.15 2dzm n GLN 43 N -0.29 -2.43 -4.12 3.23 3.00 -1.00 -4.96 117.38 110.81 2dzm n GLN 43 Ca 0.06 0.92 -0.35 0.00 -0.01 0.00 0.00 57.00 57.61 2dzm n GLN 43 Cb 0.31 -5.61 -0.09 0.00 0.00 0.00 0.00 30.24 24.85 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 -3.00 4.78 0.07 5.09 1.01 -1.25 -4.98 121.20 122.92 2dzm s ILE 44 Ca 0.07 -0.06 -0.31 0.00 0.00 0.00 0.00 60.65 60.35 2dzm s ILE 44 Cb -0.03 -3.08 -0.07 0.00 0.01 0.00 0.00 42.46 39.29 2dzm s ILE 44 CO 0.09 0.56 1.39 -2.16 0.00 0.00 0.00 174.94 174.82 2dzm s PRO 45 N -0.48 4.31 0.66 2.79 0.04 -1.26 -3.68 135.00 137.38 2dzm s PRO 45 Ca 0.10 2.03 0.30 0.00 0.04 0.00 0.00 61.00 63.47 2dzm s PRO 45 Cb -0.12 -3.37 1.65 0.00 0.04 0.00 0.00 34.50 32.70 2dzm s PRO 45 CO 0.02 -0.48 1.94 0.28 0.04 0.00 0.00 177.00 178.80 2dzm h VAL 46 N 4.51 0.03 -0.24 -0.36 2.07 -1.90 0.66 116.25 121.02 2dzm h VAL 46 Ca -0.41 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 66.97 2dzm h VAL 46 Cb 1.20 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 31.65 2dzm h VAL 46 CO 0.88 0.00 -0.40 -1.28 0.02 0.00 0.00 177.57 176.78 2dzm h SER 47 N 0.00 0.77 1.23 0.57 0.87 -1.97 -3.04 113.55 111.98 2dzm h SER 47 Ca 0.01 -0.53 0.00 0.00 -1.23 0.00 0.00 61.79 60.05 2dzm h SER 47 Cb 0.67 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 2dzm h SER 47 CO -0.00 1.15 -0.12 0.29 -0.53 0.00 0.00 176.83 177.62 2dzm n LYS 48 N -4.20 0.20 -3.53 2.24 4.76 0.15 -4.81 118.16 112.98 2dzm n LYS 48 Ca -0.05 0.14 -0.37 0.00 -2.87 0.00 0.00 58.31 55.16 2dzm n LYS 48 Cb 0.54 -1.71 -0.06 0.00 -1.84 0.00 0.00 35.03 31.96 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 -3.08 3.87 -0.32 1.97 -1.94 -0.77 -3.99 119.30 115.03 2dzm s MET 49 Ca 0.11 0.35 0.03 0.00 -1.71 0.00 0.00 55.69 54.46 2dzm s MET 49 Cb 0.14 -3.17 0.10 0.00 2.01 0.00 0.00 34.83 33.91 2dzm s MET 49 CO 0.61 0.67 0.04 -0.51 -0.01 0.00 0.00 175.02 175.82 2dzm s LEU 50 N -1.25 4.02 0.06 -0.03 1.43 -1.16 -4.88 118.68 116.87 2dzm s LEU 50 Ca 0.25 -1.94 -0.30 0.00 -1.03 0.00 0.00 54.13 51.10 2dzm s LEU 50 Cb -0.16 -1.44 -0.09 0.00 0.03 0.00 0.00 46.19 44.54 2dzm s LEU 50 CO 0.14 -0.37 1.80 -0.22 0.23 0.00 0.00 176.35 177.93 2dzm s LEU 51 N 1.09 4.39 0.36 1.79 1.98 -1.26 -3.48 118.68 123.55 2dzm s LEU 51 Ca 0.09 2.58 -0.02 0.00 -2.89 0.00 0.00 54.13 53.88 2dzm s LEU 51 Cb -0.19 -3.55 0.01 0.00 0.66 0.00 0.00 46.19 43.12 2dzm s LEU 51 CO -0.11 -0.98 0.49 -0.54 -1.89 0.00 0.00 176.35 173.33 2dzm s LYS 52 N 3.43 1.97 -0.34 1.98 1.02 -1.25 -4.94 119.74 121.61 2dzm s LYS 52 Ca 0.80 -1.79 0.00 0.00 0.02 0.00 0.00 55.97 55.00 2dzm s LYS 52 Cb -0.41 0.45 0.00 0.00 -0.52 0.00 0.00 37.83 37.35 2dzm s LYS 52 CO 0.36 -0.82 0.00 0.41 -0.92 0.00 0.00 175.35 174.37 2dzm n GLY 53 N -0.59 0.26 1.79 -3.33 0.00 -1.26 -3.94 105.19 98.13 2dzm n GLY 53 Ca 0.01 -0.74 -0.16 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.87 -3.39 -0.08 1.61 7.02 -1.26 -4.79 117.44 112.68 2dzm n TRP 54 Ca -0.05 -0.50 -0.16 0.00 -1.02 0.00 0.00 57.50 55.78 2dzm n TRP 54 Cb 0.49 -0.60 -0.12 0.00 -2.42 0.00 0.00 31.31 28.66 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 -5.23 -0.99 3.64 -1.98 -3.46 116.57 108.55 2dzm h LYS 55 Ca -0.21 0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 58.49 2dzm h LYS 55 Cb 0.66 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 32.14 2dzm h LYS 55 CO 0.14 0.94 -0.86 -0.08 -2.27 0.00 0.00 179.45 177.31 2dzm s THR 56 N -2.24 2.13 0.00 1.00 -1.32 -1.26 -5.07 115.64 108.89 2dzm s THR 56 Ca -0.21 -0.96 0.00 0.00 -1.21 0.00 0.00 61.69 59.31 2dzm s THR 56 Cb -0.00 -1.85 0.00 0.00 -1.51 0.00 0.00 72.50 69.14 2dzm s THR 56 CO 0.62 0.55 0.00 0.61 -2.21 0.00 0.00 174.62 174.19 2dzm n GLY 57 N 3.94 1.06 3.30 6.08 0.00 -1.26 -3.98 105.19 114.34 2dzm n GLY 57 Ca -0.20 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.88 5.36 0.31 1.61 1.11 -1.26 -4.54 116.67 116.38 2dzm s ASP 58 Ca 0.00 -1.05 -0.27 0.00 0.18 0.00 0.00 52.55 51.41 2dzm s ASP 58 Cb 0.00 -1.90 -0.10 0.00 1.07 0.00 0.00 42.92 42.00 2dzm s ASP 58 CO 0.00 -0.32 0.96 -0.69 1.18 0.00 0.00 175.17 176.30 2dzm s VAL 59 N 1.44 4.10 0.22 -1.27 1.01 -1.26 -5.06 120.40 119.59 2dzm s VAL 59 Ca -0.00 1.83 -0.02 0.00 0.00 0.00 0.00 61.98 63.79 2dzm s VAL 59 Cb -0.19 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 2dzm s VAL 59 CO 0.03 0.23 0.43 -1.83 0.00 0.00 0.00 175.10 173.96 2dzm s GLU 60 N -1.85 3.55 0.12 2.72 -1.05 -1.26 -4.97 118.70 115.96 2dzm s GLU 60 Ca 0.48 -0.26 0.13 0.00 -0.15 0.00 0.00 54.97 55.18 2dzm s GLU 60 Cb -0.21 -2.80 0.62 0.00 -0.44 0.00 0.00 34.13 31.30 2dzm s GLU 60 CO 0.27 0.36 1.41 -0.40 0.95 0.00 0.00 175.26 177.85 2dzm n ASP 61 N -0.71 0.26 -0.21 0.83 5.75 -1.26 -1.15 116.55 120.05 2dzm n ASP 61 Ca -0.04 0.59 0.15 0.00 -0.01 0.00 0.00 54.79 55.48 2dzm n ASP 61 Cb 0.54 -0.64 0.74 0.00 -1.03 0.00 0.00 41.12 40.73 2dzm n ASP 61 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2dzm n SER 62 N -1.82 0.67 -4.94 -1.12 2.88 -1.26 -3.80 113.62 104.23 2dzm n SER 62 Ca 0.01 -1.24 -0.26 0.00 -1.33 0.00 0.00 58.87 56.04 2dzm n SER 62 Cb 0.10 -0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.52 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 -1.99 5.30 0.05 2.46 2.01 -0.30 -5.02 115.64 118.15 2dzm s THR 63 Ca 0.43 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.76 2dzm s THR 63 Cb 0.21 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 2dzm s THR 63 CO 0.35 -0.08 0.05 0.54 -0.69 0.00 0.00 174.62 174.79 2dzm s VAL 64 N -1.73 4.44 0.13 3.82 0.11 -1.26 -1.42 120.40 124.48 2dzm s VAL 64 Ca 0.34 -0.68 -0.24 0.00 -2.93 0.00 0.00 61.98 58.47 2dzm s VAL 64 Cb -0.11 -3.08 -0.04 0.00 -1.53 0.00 0.00 36.38 31.62 2dzm s VAL 64 CO 0.28 0.22 1.66 -0.07 -3.33 0.00 0.00 175.10 173.86 2dzm h LEU 65 N 3.68 -0.57 -1.18 2.54 3.38 -1.50 0.51 115.31 122.18 2dzm h LEU 65 Ca -0.48 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2dzm h LEU 65 Cb 1.17 0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.17 2dzm h LEU 65 CO 0.63 -0.25 0.55 0.07 0.09 0.00 0.00 178.44 179.53 2dzm h LYS 66 N -0.27 0.00 0.00 1.13 2.10 -0.31 0.23 116.57 119.45 2dzm h LYS 66 Ca 0.08 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.71 2dzm h LYS 66 Cb 0.38 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.71 2dzm h LYS 66 CO -0.22 0.00 -0.05 1.03 -2.00 0.00 0.00 179.45 178.21 2dzm h SER 67 N 0.00 0.04 0.66 7.07 0.87 -1.17 -3.32 113.55 117.70 2dzm h SER 67 Ca 0.00 -0.86 -0.14 0.00 -1.23 0.00 0.00 61.79 59.56 2dzm h SER 67 Cb 1.09 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.02 2dzm h SER 67 CO 0.00 0.90 -0.64 -0.07 -0.53 0.00 0.00 176.83 176.48 2dzm h LEU 68 N -0.82 0.00 -2.07 2.23 3.38 -0.60 -3.48 115.31 113.96 2dzm h LEU 68 Ca -0.01 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.73 2dzm h LEU 68 Cb 0.91 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.80 2dzm h LEU 68 CO 0.01 0.64 -0.62 1.41 0.09 0.00 0.00 178.44 179.97 2dzm n HIS 69 N -3.76 -1.78 -1.74 1.13 8.25 0.08 -4.95 115.22 112.45 2dzm n HIS 69 Ca -0.01 0.70 -0.39 0.00 -0.26 0.00 0.00 57.72 57.76 2dzm n HIS 69 Cb 0.64 -4.14 0.03 0.00 1.12 0.00 0.00 29.99 27.64 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 -3.19 5.19 -4.71 2.41 7.99 -1.26 -4.98 117.00 118.45 2dzm n LEU 70 Ca -0.16 1.03 -0.30 0.00 -0.01 0.00 0.00 56.01 56.58 2dzm n LEU 70 Cb 0.62 -1.57 0.14 0.00 -0.11 0.00 0.00 43.42 42.50 2dzm n LEU 70 CO 0.47 -0.49 0.66 -2.16 -1.51 0.00 0.00 177.39 174.36 2dzm s PRO 71 N -2.67 1.11 0.23 3.23 0.04 -1.26 -4.94 135.00 130.74 2dzm s PRO 71 Ca 0.67 0.76 -0.08 0.00 0.04 0.00 0.00 61.00 62.40 2dzm s PRO 71 Cb -0.44 -1.80 0.37 0.00 0.04 0.00 0.00 34.50 32.68 2dzm s PRO 71 CO 0.53 -2.33 1.70 -0.22 0.04 0.00 0.00 177.00 176.72 2dzm h LYS 72 N -1.61 0.28 -4.77 4.56 3.64 -1.95 -3.36 116.57 113.35 2dzm h LYS 72 Ca -0.50 -0.02 -0.67 0.00 -1.27 0.00 0.00 60.65 58.19 2dzm h LYS 72 Cb 1.29 -0.06 -0.22 0.00 -0.41 0.00 0.00 32.23 32.83 2dzm h LYS 72 CO 0.55 0.18 -0.54 -0.80 -2.27 0.00 0.00 179.45 176.57 2dzm s ASN 73 N -5.29 5.64 0.23 4.20 0.01 -1.26 -3.66 114.94 114.81 2dzm s ASN 73 Ca -0.13 -0.50 0.10 0.00 -0.71 0.00 0.00 52.86 51.63 2dzm s ASN 73 Cb 0.19 -2.03 -0.04 0.00 0.41 0.00 0.00 41.25 39.78 2dzm s ASN 73 CO 0.75 -0.20 -0.11 0.20 -1.51 0.00 0.00 177.10 176.23 2dzm s ASN 74 N 1.63 4.11 -0.24 -1.22 0.01 -1.11 -5.07 114.94 113.06 2dzm s ASN 74 Ca 0.05 -0.73 -0.03 0.00 -0.71 0.00 0.00 52.86 51.44 2dzm s ASN 74 Cb -0.17 -0.62 0.10 0.00 0.41 0.00 0.00 41.25 40.97 2dzm s ASN 74 CO 0.07 0.06 0.21 -0.94 -1.51 0.00 0.00 177.10 174.99 2dzm s SER 75 N -3.22 1.94 0.51 -1.22 1.04 -1.26 -2.70 113.70 108.79 2dzm s SER 75 Ca 0.27 -0.59 0.05 0.00 0.48 0.00 0.00 55.95 56.16 2dzm s SER 75 Cb -0.07 0.22 0.01 0.00 0.10 0.00 0.00 66.02 66.28 2dzm s SER 75 CO 0.16 -0.37 0.28 -0.76 0.98 0.00 0.00 173.24 173.53 2dzm s LEU 76 N 2.28 2.74 -0.18 2.42 1.43 0.33 -4.93 118.68 122.76 2dzm s LEU 76 Ca 0.07 -1.27 -0.16 0.00 -1.03 0.00 0.00 54.13 51.75 2dzm s LEU 76 Cb -0.15 -1.19 0.05 0.00 0.03 0.00 0.00 46.19 44.92 2dzm s LEU 76 CO -0.22 -0.92 0.48 -0.72 0.23 0.00 0.00 176.35 175.20 2dzm s TYR 77 N -2.74 -0.55 -0.05 0.29 1.13 -1.25 -0.49 117.35 113.67 2dzm s TYR 77 Ca 0.30 1.31 -0.08 0.00 -1.41 0.00 0.00 57.07 57.19 2dzm s TYR 77 Cb -0.00 0.20 -0.05 0.00 -1.10 0.00 0.00 41.96 41.01 2dzm s TYR 77 CO 0.18 -0.27 0.23 0.08 -2.51 0.00 0.00 175.55 173.26 2dzm s VAL 78 N 0.41 5.35 -0.30 -3.49 1.01 -1.22 -3.77 120.40 118.40 2dzm s VAL 78 Ca -0.01 0.29 0.01 0.00 0.00 0.00 0.00 61.98 62.28 2dzm s VAL 78 Cb -0.04 -3.52 0.09 0.00 0.00 0.00 0.00 36.38 32.91 2dzm s VAL 78 CO -0.01 0.52 0.03 -0.76 0.00 0.00 0.00 175.10 174.88 2dzm s LEU 79 N -1.31 3.24 -0.63 3.92 1.02 -1.23 -4.77 118.68 118.93 2dzm s LEU 79 Ca 0.21 -1.68 -0.08 0.00 0.02 0.00 0.00 54.13 52.61 2dzm s LEU 79 Cb -0.13 -1.23 0.16 0.00 0.02 0.00 0.00 46.19 45.01 2dzm s LEU 79 CO 0.10 -0.35 0.50 0.42 0.02 0.00 0.00 176.35 177.04 2dzm s THR 80 N 1.29 4.38 -0.01 5.49 -4.23 -1.26 -3.01 115.64 118.30 2dzm s THR 80 Ca 0.05 -2.44 -0.25 0.00 -1.18 0.00 0.00 61.69 57.87 2dzm s THR 80 Cb -0.18 -3.82 -0.20 0.00 1.34 0.00 0.00 72.50 69.64 2dzm s THR 80 CO -0.13 -0.88 1.28 1.55 -0.54 0.00 0.00 174.62 175.90 2dzm h PRO 81 N 7.71 0.04 0.47 3.99 0.13 -1.98 -3.36 132.00 139.00 2dzm h PRO 81 Ca -0.05 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.04 2dzm h PRO 81 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2dzm h PRO 81 CO 0.77 0.51 -0.23 -0.44 -0.23 0.00 0.00 178.00 178.39 2dzm h ASP 82 N -0.43 -0.53 -1.24 1.44 3.32 -1.92 -3.45 116.42 113.62 2dzm h ASP 82 Ca 0.00 0.02 -0.72 0.00 0.02 0.00 0.00 57.03 56.35 2dzm h ASP 82 Cb 0.51 0.14 0.08 0.00 0.22 0.00 0.00 39.33 40.27 2dzm h ASP 82 CO 0.00 -0.23 -0.07 -0.11 -1.72 0.00 0.00 179.24 177.11 2dzm n LEU 83 N -4.51 0.01 -4.77 1.55 7.94 -1.26 -4.90 117.00 111.06 2dzm n LEU 83 Ca -0.08 1.15 -0.32 0.00 -1.11 0.00 0.00 56.01 55.65 2dzm n LEU 83 Cb 0.25 -1.01 0.07 0.00 0.53 0.00 0.00 43.42 43.26 2dzm n LEU 83 CO 0.19 -2.08 0.72 -2.16 -1.11 0.00 0.00 177.39 172.95 2dzm s PRO 84 N -0.40 2.53 0.53 1.96 0.04 -1.26 -4.94 135.00 133.46 2dzm s PRO 84 Ca 0.78 1.28 -0.20 0.00 0.04 0.00 0.00 61.00 62.91 2dzm s PRO 84 Cb -1.06 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 31.50 2dzm s PRO 84 CO 0.55 -1.45 1.14 -1.25 0.04 0.00 0.00 177.00 176.03 2dzm s PRO 85 N -4.49 3.42 0.00 0.56 0.04 -1.26 -4.92 135.00 128.36 2dzm s PRO 85 Ca 0.64 1.64 0.15 0.00 0.04 0.00 0.00 61.00 63.47 2dzm s PRO 85 Cb -0.19 -2.07 0.72 0.00 0.04 0.00 0.00 34.50 33.00 2dzm s PRO 85 CO 0.49 -0.80 1.42 -0.35 0.04 0.00 0.00 177.00 177.80 2dzm n PRO 86 N -1.16 0.16 -4.37 0.56 -0.04 -1.26 -4.87 135.00 124.02 2dzm n PRO 86 Ca 0.11 0.17 -0.37 0.00 -0.04 0.00 0.00 63.50 63.37 2dzm n PRO 86 Cb 0.50 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.40 2dzm n PRO 86 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dzm n SER 87 N -1.34 -1.40 -4.35 3.54 7.64 -1.26 -4.92 113.62 111.53 2dzm n SER 87 Ca 0.06 -1.18 -0.22 0.00 1.01 0.00 0.00 58.87 58.54 2dzm n SER 87 Cb 0.13 -1.99 -0.11 0.00 -1.01 0.00 0.00 64.21 61.23 2dzm n SER 87 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dzm s SER 88 N -3.62 2.80 -0.08 6.43 1.04 -1.26 -5.13 113.70 113.87 2dzm s SER 88 Ca 0.55 -0.89 -0.19 0.00 0.48 0.00 0.00 55.95 55.90 2dzm s SER 88 Cb -0.32 -0.17 -0.04 0.00 0.10 0.00 0.00 66.02 65.59 2dzm s SER 88 CO 0.99 -0.03 0.52 -0.55 0.98 0.00 0.00 173.24 175.15 2dzm s SER 89 N -2.78 6.78 0.30 7.02 0.15 -1.26 -5.03 113.70 118.88 2dzm s SER 89 Ca 0.18 0.93 0.10 0.00 0.70 0.00 0.00 55.95 57.86 2dzm s SER 89 Cb -0.05 -2.31 -0.06 0.00 -1.71 0.00 0.00 66.02 61.89 2dzm s SER 89 CO 0.07 0.03 -0.14 -0.44 1.20 0.00 0.00 173.24 173.96 2dzm s SER 90 N 0.39 3.48 0.20 5.45 0.01 -1.26 -5.10 113.70 116.87 2dzm s SER 90 Ca 0.28 -1.11 -0.31 0.00 1.31 0.00 0.00 55.95 56.13 2dzm s SER 90 Cb -0.16 -0.29 -0.10 0.00 0.21 0.00 0.00 66.02 65.68 2dzm s SER 90 CO 0.13 -0.10 1.50 -2.28 0.41 0.00 0.00 173.24 172.89 2dzm s HIS 91 N -2.63 3.05 0.80 2.43 5.65 -1.26 -4.96 115.29 118.37 2dzm s HIS 91 Ca 0.30 0.83 -0.14 0.00 0.25 0.00 0.00 55.06 56.30 2dzm s HIS 91 Cb -0.01 -3.87 0.06 0.00 -1.18 0.00 0.00 32.58 27.58 2dzm s HIS 91 CO 0.15 -3.02 1.03 0.00 -0.65 0.00 0.00 174.74 172.25 2dzm n ALA 92 N 3.22 -0.44 0.00 1.58 0.00 -1.26 -4.60 120.51 119.01 2dzm n ALA 92 Ca 0.10 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2dzm n ALA 92 Cb 0.39 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.69 2dzm n ALA 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dzm n GLY 93 N 0.81 1.59 3.82 0.00 0.00 -1.26 -5.13 105.19 105.02 2dzm n GLY 93 Ca 0.13 -0.12 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 3.33 -0.17 4.61 0.00 -1.26 -5.07 121.76 123.20 2dzm s ALA 94 Ca 0.00 0.23 0.01 0.00 0.00 0.00 0.00 51.96 52.19 2dzm s ALA 94 Cb 0.00 -2.90 0.03 0.00 0.00 0.00 0.00 23.12 20.24 2dzm s ALA 94 CO 0.00 0.28 -0.14 -1.17 0.00 0.00 0.00 175.76 174.74 2dzm s LEU 95 N -2.28 1.96 0.26 0.00 0.20 -1.26 -5.12 118.68 112.44 2dzm s LEU 95 Ca 0.48 -0.65 0.03 0.00 0.69 0.00 0.00 54.13 54.68 2dzm s LEU 95 Cb -0.15 -1.24 -0.05 0.00 -0.43 0.00 0.00 46.19 44.31 2dzm s LEU 95 CO 0.20 -0.08 0.03 -1.10 -0.29 0.00 0.00 176.35 175.11 2dzm s GLN 96 N 1.42 1.42 -0.33 1.98 -0.21 -1.26 -5.13 119.66 117.56 2dzm s GLN 96 Ca 0.03 -1.74 0.01 0.00 0.02 0.00 0.00 55.36 53.68 2dzm s GLN 96 Cb -0.14 -0.62 0.08 0.00 1.00 0.00 0.00 33.01 33.33 2dzm s GLN 96 CO -0.10 -0.15 0.03 -1.21 -2.12 0.00 0.00 175.29 171.74 2dzm s GLU 97 N -3.90 1.95 -0.04 2.91 8.01 -1.26 -5.10 118.70 121.27 2dzm s GLU 97 Ca 0.32 -1.62 -0.15 0.00 0.01 0.00 0.00 54.97 53.53 2dzm s GLU 97 Cb 0.07 -3.19 -0.05 0.00 -4.31 0.00 0.00 34.13 26.64 2dzm s GLU 97 CO 0.11 -0.81 0.39 0.45 0.01 0.00 0.00 175.26 175.41 2dzm s SER 98 N 1.19 6.73 0.14 -0.19 0.15 -1.26 -5.09 113.70 115.37 2dzm s SER 98 Ca 0.02 0.86 0.03 0.00 0.70 0.00 0.00 55.95 57.57 2dzm s SER 98 Cb -0.20 -2.24 -0.04 0.00 -1.71 0.00 0.00 66.02 61.83 2dzm s SER 98 CO -0.05 0.26 -0.06 -1.48 1.20 0.00 0.00 173.24 173.11 2dzm s LEU 99 N -0.65 2.41 0.00 3.45 -0.00 -1.26 -5.34 118.68 117.29 2dzm s LEU 99 Ca 0.23 -1.06 0.31 0.00 -0.00 0.00 0.00 54.13 53.61 2dzm s LEU 99 Cb -0.16 -0.18 1.64 0.00 -0.00 0.00 0.00 46.19 47.49 2dzm s LEU 99 CO 0.11 -0.44 2.08 -0.46 -0.00 0.00 0.00 176.35 177.63