#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 3.99 -0.29 1.61 0.15 -1.26 -5.10 113.70 112.79 2dzm s SER 2 Ca 0.00 0.43 -0.15 0.00 0.70 0.00 0.00 55.95 56.93 2dzm s SER 2 Cb 0.00 -0.75 0.15 0.00 -1.71 0.00 0.00 66.02 63.71 2dzm s SER 2 CO 0.00 -2.18 0.94 -0.94 1.20 0.00 0.00 173.24 172.26 2dzm s SER 3 N -4.71 -0.61 0.00 5.45 1.04 -1.26 -5.16 113.70 108.45 2dzm s SER 3 Ca 0.67 0.90 0.00 0.00 0.48 0.00 0.00 55.95 58.00 2dzm s SER 3 Cb -0.08 1.51 0.00 0.00 0.10 0.00 0.00 66.02 67.55 2dzm s SER 3 CO 0.49 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 175.19 2dzm n GLY 4 N 4.45 4.08 2.43 7.32 0.00 -1.26 -5.02 105.19 117.19 2dzm n GLY 4 Ca -0.14 -0.42 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 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 7.46 -4.33 1.61 7.64 -1.26 -4.89 113.62 119.85 2dzm n SER 5 Ca 0.00 -3.80 -0.46 0.00 1.01 0.00 0.00 58.87 55.62 2dzm n SER 5 Cb 0.00 -0.95 -0.04 0.00 -1.01 0.00 0.00 64.21 62.21 2dzm n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dzm s SER 6 N -1.82 6.44 0.00 6.43 0.01 -1.26 -4.96 113.70 118.55 2dzm s SER 6 Ca 0.61 -2.15 0.00 0.00 1.31 0.00 0.00 55.95 55.72 2dzm s SER 6 Cb 0.49 -2.22 0.00 0.00 0.21 0.00 0.00 66.02 64.50 2dzm s SER 6 CO -0.09 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.40 2dzm n GLY 7 N 4.72 3.68 3.67 3.44 0.00 -1.26 -5.12 105.19 114.32 2dzm n GLY 7 Ca -0.01 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.29 4.27 0.08 1.61 1.70 -1.26 -5.01 118.95 119.04 2dzm s ARG 8 Ca 0.00 0.92 -0.23 0.00 -0.47 0.00 0.00 55.73 55.95 2dzm s ARG 8 Cb 0.00 -3.58 -0.06 0.00 -0.57 0.00 0.00 34.95 30.73 2dzm s ARG 8 CO 0.00 -0.33 0.70 -1.64 -1.08 0.00 0.00 175.30 172.96 2dzm s MET 9 N 2.16 4.43 -0.18 3.89 -1.94 -1.26 -3.50 119.30 122.90 2dzm s MET 9 Ca 0.36 0.97 -0.02 0.00 -1.71 0.00 0.00 55.69 55.29 2dzm s MET 9 Cb -0.16 -3.30 -0.01 0.00 2.01 0.00 0.00 34.83 33.37 2dzm s MET 9 CO 0.11 0.46 -0.10 -0.51 -0.01 0.00 0.00 175.02 174.98 2dzm s LEU 10 N -0.63 2.73 -0.84 -0.03 1.43 -1.23 -4.94 118.68 115.17 2dzm s LEU 10 Ca 0.34 -0.40 -0.25 0.00 -1.03 0.00 0.00 54.13 52.80 2dzm s LEU 10 Cb -0.21 -1.66 0.05 0.00 0.03 0.00 0.00 46.19 44.40 2dzm s LEU 10 CO 0.22 0.05 1.30 -0.62 0.23 0.00 0.00 176.35 177.54 2dzm s ASP 11 N 1.02 6.31 -0.49 2.29 2.15 -0.98 -3.73 116.67 123.24 2dzm s ASP 11 Ca -0.01 -0.96 -0.18 0.00 0.43 0.00 0.00 52.55 51.83 2dzm s ASP 11 Cb -0.15 -2.54 0.06 0.00 -0.30 0.00 0.00 42.92 39.99 2dzm s ASP 11 CO -0.01 -1.63 0.57 -0.36 -0.17 0.00 0.00 175.17 173.56 2dzm s PHE 12 N 5.10 3.10 -0.44 -5.34 0.08 0.81 -0.46 117.98 120.84 2dzm s PHE 12 Ca 0.37 -0.59 -0.24 0.00 0.12 0.00 0.00 56.93 56.60 2dzm s PHE 12 Cb -0.06 -3.41 0.02 0.00 -0.57 0.00 0.00 43.02 39.00 2dzm s PHE 12 CO 0.04 -0.96 0.81 0.50 -0.10 0.00 0.00 175.22 175.51 2dzm s ARG 13 N 2.40 3.49 -0.56 0.44 6.06 -0.89 -0.16 118.95 129.74 2dzm s ARG 13 Ca 0.13 0.02 -0.18 0.00 -2.50 0.00 0.00 55.73 53.20 2dzm s ARG 13 Cb -0.20 -3.91 0.09 0.00 0.06 0.00 0.00 34.95 30.99 2dzm s ARG 13 CO 0.11 -1.09 0.64 0.08 -2.50 0.00 0.00 175.30 172.55 2dzm s VAL 14 N 3.34 4.91 -0.59 7.11 1.01 0.96 0.51 120.40 137.63 2dzm s VAL 14 Ca 0.31 -0.95 -0.28 0.00 0.00 0.00 0.00 61.98 61.06 2dzm s VAL 14 Cb -0.12 -4.41 0.03 0.00 0.00 0.00 0.00 36.38 31.88 2dzm s VAL 14 CO 0.22 -0.99 1.26 -0.70 0.00 0.00 0.00 175.10 174.89 2dzm s GLU 15 N 2.47 3.42 0.18 2.72 2.12 0.74 -1.02 118.70 129.34 2dzm s GLU 15 Ca 0.11 0.24 0.10 0.00 0.36 0.00 0.00 54.97 55.78 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 -1.80 -0.17 -0.47 -0.54 0.00 0.00 175.26 172.35 2dzm s TYR 16 N 5.32 2.47 0.00 5.30 5.04 -0.05 -3.34 117.35 132.09 2dzm s TYR 16 Ca 0.44 -0.29 0.00 0.00 -2.44 0.00 0.00 57.07 54.78 2dzm s TYR 16 Cb -0.08 -1.23 0.00 0.00 0.35 0.00 0.00 41.96 40.99 2dzm s TYR 16 CO 0.24 0.48 0.63 0.54 -1.34 0.00 0.00 175.55 176.11 2dzm n ARG 17 N 0.27 0.00 -0.33 4.97 3.00 -1.26 -0.18 116.66 123.12 2dzm n ARG 17 Ca -0.12 0.63 -0.02 0.00 -0.01 0.00 0.00 57.85 58.33 2dzm n ARG 17 Cb 0.55 -0.99 0.03 0.00 0.00 0.00 0.00 32.46 32.05 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 -1.36 -5.76 0.55 2.03 -1.97 -3.46 116.42 106.46 2dzm h ASP 18 Ca 0.00 0.29 0.31 0.00 -0.73 0.00 0.00 57.03 56.90 2dzm h ASP 18 Cb 0.00 0.71 -0.07 0.00 -0.83 0.00 0.00 39.33 39.14 2dzm h ASP 18 CO 0.00 -0.29 0.85 0.00 -1.03 0.00 0.00 179.24 178.76 2dzm s ARG 19 N -5.96 0.54 -0.41 4.15 1.70 0.74 -5.13 118.95 114.58 2dzm s ARG 19 Ca -0.14 -0.35 -0.14 0.00 -0.47 0.00 0.00 55.73 54.63 2dzm s ARG 19 Cb 0.19 0.15 0.03 0.00 -0.57 0.00 0.00 34.95 34.75 2dzm s ARG 19 CO 0.71 -0.25 0.29 0.54 -1.08 0.00 0.00 175.30 175.51 2dzm s ASN 20 N -3.69 6.03 0.12 -2.89 4.22 -1.26 -0.87 114.94 116.60 2dzm s ASN 20 Ca 0.27 -0.98 -0.13 0.00 -2.14 0.00 0.00 52.86 49.89 2dzm s ASN 20 Cb -0.01 -2.13 -0.06 0.00 1.28 0.00 0.00 41.25 40.33 2dzm s ASN 20 CO 0.00 -0.46 0.49 0.54 -2.04 0.00 0.00 177.10 175.63 2dzm s VAL 21 N 1.65 4.94 0.04 3.54 0.11 -0.18 -4.83 120.40 125.66 2dzm s VAL 21 Ca 0.04 0.69 -0.11 0.00 -2.93 0.00 0.00 61.98 59.67 2dzm s VAL 21 Cb -0.20 -3.70 -0.06 0.00 -1.53 0.00 0.00 36.38 30.90 2dzm s VAL 21 CO 0.09 0.26 0.39 -0.62 -3.33 0.00 0.00 175.10 171.89 2dzm s ASP 22 N -1.73 6.69 -0.01 3.54 2.15 -1.26 -0.03 116.67 126.01 2dzm s ASP 22 Ca 0.36 0.83 0.04 0.00 0.43 0.00 0.00 52.55 54.21 2dzm s ASP 22 Cb -0.15 -2.20 -0.01 0.00 -0.30 0.00 0.00 42.92 40.27 2dzm s ASP 22 CO 0.19 0.24 -0.13 -0.69 -0.17 0.00 0.00 175.17 174.61 2dzm s VAL 23 N -1.26 1.03 -0.11 1.11 1.01 0.78 -4.95 120.40 118.02 2dzm s VAL 23 Ca 0.28 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 2dzm s VAL 23 Cb -0.15 -0.87 0.03 0.00 0.00 0.00 0.00 36.38 35.39 2dzm s VAL 23 CO 0.15 0.30 -0.05 -0.69 0.00 0.00 0.00 175.10 174.81 2dzm s VAL 24 N -0.23 0.88 -0.20 2.92 1.01 -1.26 -0.13 120.40 123.39 2dzm s VAL 24 Ca 0.04 -0.24 -0.15 0.00 0.00 0.00 0.00 61.98 61.63 2dzm s VAL 24 Cb -0.06 -0.96 0.06 0.00 0.00 0.00 0.00 36.38 35.42 2dzm s VAL 24 CO -0.00 0.31 0.52 -1.48 0.00 0.00 0.00 175.10 174.45 2dzm s LEU 25 N 1.76 -0.19 0.85 3.92 2.34 -1.24 -4.95 118.68 121.16 2dzm s LEU 25 Ca 0.04 1.09 -0.14 0.00 0.06 0.00 0.00 54.13 55.19 2dzm s LEU 25 Cb -0.13 1.78 0.04 0.00 -0.56 0.00 0.00 46.19 47.32 2dzm s LEU 25 CO -0.08 -0.20 0.76 1.21 -1.06 0.00 0.00 176.35 176.99 2dzm n GLU 26 N 3.45 -0.01 0.00 1.48 2.13 -1.26 -3.57 120.64 122.86 2dzm n GLU 26 Ca -0.17 0.06 0.07 0.00 0.66 0.00 0.00 57.16 57.77 2dzm n GLU 26 Cb 0.56 -2.08 0.37 0.00 0.27 0.00 0.00 31.44 30.56 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 -1.95 0.00 0.15 4.31 5.75 -1.23 -1.96 116.55 121.62 2dzm n ASP 27 Ca 0.10 -0.11 0.09 0.00 -0.01 0.00 0.00 54.79 54.86 2dzm n ASP 27 Cb 0.51 -0.18 0.07 0.00 -1.03 0.00 0.00 41.12 40.50 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 0.23 -4.19 2.12 1.35 -1.91 0.40 112.91 110.91 2dzm h THR 28 Ca 0.00 -1.36 -0.50 0.00 -0.55 0.00 0.00 66.41 64.00 2dzm h THR 28 Cb 0.08 1.96 0.09 0.00 -1.73 0.00 0.00 68.15 68.55 2dzm h THR 28 CO 0.00 0.13 0.38 0.00 -0.25 0.00 0.00 175.52 175.78 2dzm s THR 30 N -2.31 4.42 0.64 0.00 2.01 -1.26 -2.81 115.64 116.33 2dzm s THR 30 Ca 0.67 1.57 0.21 0.00 0.31 0.00 0.00 61.69 64.45 2dzm s THR 30 Cb -0.20 -4.03 0.24 0.00 0.01 0.00 0.00 72.50 68.52 2dzm s THR 30 CO 0.39 0.39 1.59 -0.37 -0.69 0.00 0.00 174.62 175.92 2dzm h VAL 31 N 3.07 0.06 -0.19 3.82 -1.51 -1.43 0.50 116.25 120.57 2dzm h VAL 31 Ca -0.47 0.00 -0.15 0.00 -1.23 0.00 0.00 66.70 64.85 2dzm h VAL 31 Cb 1.20 0.39 -0.01 0.00 -2.13 0.00 0.00 31.29 30.75 2dzm h VAL 31 CO 0.66 0.00 -0.51 1.23 -1.23 0.00 0.00 177.57 177.72 2dzm h GLY 32 N 0.00 0.57 -0.10 5.19 0.00 -1.80 -3.30 103.07 103.63 2dzm h GLY 32 Ca 0.09 -0.63 0.03 0.00 0.00 0.00 0.00 47.33 46.82 2dzm h GLY 32 CO -0.00 0.57 -0.53 0.83 0.00 0.00 0.00 176.54 177.41 2dzm h GLU 33 N 0.41 -0.57 -0.73 4.80 3.07 -0.35 -0.68 114.58 120.53 2dzm h GLU 33 Ca 0.02 0.04 0.28 0.00 -0.50 0.00 0.00 59.36 59.20 2dzm h GLU 33 Cb 1.03 0.13 -0.13 0.00 -0.84 0.00 0.00 28.75 28.93 2dzm h GLU 33 CO 0.09 -0.38 0.30 -0.89 -1.40 0.00 0.00 179.01 176.73 2dzm n ILE 34 N -5.35 -0.31 0.45 3.13 5.41 -1.24 0.27 119.36 121.72 2dzm n ILE 34 Ca -0.06 1.52 -0.17 0.00 1.00 0.00 0.00 62.75 65.04 2dzm n ILE 34 Cb 0.37 -2.40 -0.08 0.00 -0.71 0.00 0.00 39.64 36.81 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 -1.09 -0.24 0.38 1.57 -1.28 -0.92 116.57 114.98 2dzm h LYS 35 Ca 0.58 0.07 0.03 0.00 -1.87 0.00 0.00 60.65 59.46 2dzm h LYS 35 Cb 1.46 0.25 -0.01 0.00 0.08 0.00 0.00 32.23 34.00 2dzm h LYS 35 CO -0.60 -0.73 0.17 0.37 -0.57 0.00 0.00 179.45 178.09 2dzm h GLN 36 N -1.15 0.18 0.39 3.15 5.75 -0.09 -2.66 115.11 120.68 2dzm h GLN 36 Ca -0.12 -0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.35 2dzm h GLN 36 Cb 0.87 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.38 2dzm h GLN 36 CO 0.19 0.12 -0.19 0.82 -2.65 0.00 0.00 178.83 177.12 2dzm h ILE 37 N 0.19 0.61 -0.13 2.39 2.04 -0.27 -2.47 117.51 119.87 2dzm h ILE 37 Ca 0.10 -0.30 0.04 0.00 1.00 0.00 0.00 64.86 65.70 2dzm h ILE 37 Cb 0.18 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 2dzm h ILE 37 CO -0.02 0.06 0.33 -0.07 0.00 0.00 0.00 178.15 178.44 2dzm h LEU 38 N -0.70 0.00 -0.31 1.44 3.38 -0.82 0.54 115.31 118.84 2dzm h LEU 38 Ca -0.05 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 2dzm h LEU 38 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2dzm h LEU 38 CO 0.09 0.00 -0.38 -0.08 0.09 0.00 0.00 178.44 178.15 2dzm h GLU 39 N 0.00 0.00 -0.00 1.13 4.22 -1.29 0.16 114.58 118.80 2dzm h GLU 39 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.50 2dzm h GLU 39 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2dzm h GLU 39 CO -0.00 0.38 -0.11 0.09 -2.18 0.00 0.00 179.01 177.19 2dzm n ASN 40 N -3.27 0.30 -0.01 1.04 3.02 0.19 -0.27 115.26 116.26 2dzm n ASN 40 Ca 0.02 -0.27 -0.01 0.00 -0.03 0.00 0.00 54.58 54.29 2dzm n ASN 40 Cb 0.63 -0.15 -0.01 0.00 -0.61 0.00 0.00 39.78 39.64 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 -1.17 3.62 0.00 3.52 -0.58 -1.14 -4.70 120.64 120.19 2dzm n GLU 41 Ca 0.12 -0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.92 2dzm n GLU 41 Cb 0.29 -1.04 -0.03 0.00 -0.57 0.00 0.00 31.44 30.09 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 -2.04 1.04 -2.37 -4.62 4.77 0.56 -4.98 117.00 109.36 2dzm n LEU 42 Ca -0.02 -0.66 -0.20 0.00 -0.03 0.00 0.00 56.01 55.10 2dzm n LEU 42 Cb 0.53 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.61 2dzm n LEU 42 CO 0.03 0.22 -0.25 0.00 -1.33 0.00 0.00 177.39 176.06 2dzm n GLN 43 N -0.64 -1.74 -4.05 3.23 3.00 0.63 -4.97 117.38 112.83 2dzm n GLN 43 Ca 0.04 0.97 -0.35 0.00 -0.01 0.00 0.00 57.00 57.65 2dzm n GLN 43 Cb 0.23 -5.61 -0.09 0.00 0.00 0.00 0.00 30.24 24.77 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 -2.97 4.88 0.09 5.09 1.01 -1.22 -5.02 121.20 123.05 2dzm s ILE 44 Ca 0.00 -0.02 -0.31 0.00 0.00 0.00 0.00 60.65 60.32 2dzm s ILE 44 Cb 0.00 -3.15 -0.07 0.00 0.01 0.00 0.00 42.46 39.25 2dzm s ILE 44 CO 0.00 0.54 1.38 -2.16 0.00 0.00 0.00 174.94 174.69 2dzm s PRO 45 N -0.30 4.32 0.62 2.79 0.04 -1.26 -4.14 135.00 137.07 2dzm s PRO 45 Ca 0.09 2.04 0.34 0.00 0.04 0.00 0.00 61.00 63.50 2dzm s PRO 45 Cb -0.12 -3.31 1.84 0.00 0.04 0.00 0.00 34.50 32.95 2dzm s PRO 45 CO 0.02 -0.45 2.03 0.28 0.04 0.00 0.00 177.00 178.92 2dzm h VAL 46 N 4.38 0.00 0.00 -0.36 2.07 -1.90 0.30 116.25 120.74 2dzm h VAL 46 Ca -0.41 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 2dzm h VAL 46 Cb 1.21 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 2dzm h VAL 46 CO 0.87 0.00 -0.08 0.28 0.02 0.00 0.00 177.57 178.66 2dzm h SER 47 N 0.00 0.00 -0.05 0.57 0.02 -1.99 -3.00 113.55 109.10 2dzm h SER 47 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2dzm h SER 47 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 2dzm h SER 47 CO 0.00 0.08 0.00 0.29 -1.14 0.00 0.00 176.83 176.06 2dzm n LYS 48 N -3.15 1.23 -4.15 3.45 4.76 0.10 -4.97 118.16 115.42 2dzm n LYS 48 Ca 0.02 -1.47 -0.30 0.00 -2.87 0.00 0.00 58.31 53.69 2dzm n LYS 48 Cb 0.45 -1.30 -0.08 0.00 -1.84 0.00 0.00 35.03 32.26 2dzm n LYS 48 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2dzm s MET 49 N -1.25 2.44 -0.22 1.97 -1.94 -0.94 -4.39 119.30 114.97 2dzm s MET 49 Ca 0.19 -0.88 -0.01 0.00 -1.71 0.00 0.00 55.69 53.27 2dzm s MET 49 Cb 0.13 -2.48 0.06 0.00 2.01 0.00 0.00 34.83 34.55 2dzm s MET 49 CO 0.19 0.53 -0.00 -0.51 -0.01 0.00 0.00 175.02 175.22 2dzm s LEU 50 N -2.28 1.97 -0.24 -0.03 1.43 -1.22 -4.90 118.68 113.41 2dzm s LEU 50 Ca 0.25 -1.07 -0.29 0.00 -1.03 0.00 0.00 54.13 51.98 2dzm s LEU 50 Cb -0.12 -0.90 -0.02 0.00 0.03 0.00 0.00 46.19 45.18 2dzm s LEU 50 CO 0.17 -0.28 1.48 -0.22 0.23 0.00 0.00 176.35 177.73 2dzm s LEU 51 N 1.61 3.92 0.33 1.79 1.98 -1.26 -3.61 118.68 123.44 2dzm s LEU 51 Ca -0.02 1.49 0.03 0.00 -2.89 0.00 0.00 54.13 52.74 2dzm s LEU 51 Cb -0.18 -3.54 -0.04 0.00 0.66 0.00 0.00 46.19 43.10 2dzm s LEU 51 CO -0.08 -1.15 0.13 -0.54 -1.89 0.00 0.00 176.35 172.81 2dzm s LYS 52 N 4.40 1.69 0.00 1.98 1.02 -1.23 -4.87 119.74 122.72 2dzm s LYS 52 Ca 0.65 -1.98 0.00 0.00 0.02 0.00 0.00 55.97 54.66 2dzm s LYS 52 Cb -0.22 -0.41 0.00 0.00 -0.52 0.00 0.00 37.83 36.68 2dzm s LYS 52 CO 0.26 -0.39 0.00 0.41 -0.92 0.00 0.00 175.35 174.71 2dzm n GLY 53 N -0.69 1.83 3.50 -3.33 0.00 -1.26 -3.77 105.19 101.47 2dzm n GLY 53 Ca -0.02 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.27 0.61 -0.27 1.61 7.02 -1.26 -4.84 117.44 120.04 2dzm n TRP 54 Ca 0.00 0.92 -0.03 0.00 -1.02 0.00 0.00 57.50 57.37 2dzm n TRP 54 Cb 0.00 -2.12 0.09 0.00 -2.42 0.00 0.00 31.31 26.85 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 2.78 0.90 -4.59 -0.99 3.64 -1.99 -3.38 116.57 112.93 2dzm h LYS 55 Ca -0.44 -0.05 -0.70 0.00 -1.27 0.00 0.00 60.65 58.18 2dzm h LYS 55 Cb 1.41 -0.20 -0.20 0.00 -0.41 0.00 0.00 32.23 32.82 2dzm h LYS 55 CO 0.65 0.59 -0.44 -0.08 -2.27 0.00 0.00 179.45 177.91 2dzm s THR 56 N -6.11 5.26 0.00 1.00 -1.32 -1.26 -5.02 115.64 108.19 2dzm s THR 56 Ca -0.13 -0.49 0.00 0.00 -1.21 0.00 0.00 61.69 59.86 2dzm s THR 56 Cb 0.16 -3.86 0.00 0.00 -1.51 0.00 0.00 72.50 67.29 2dzm s THR 56 CO 0.78 -0.21 0.00 0.61 -2.21 0.00 0.00 174.62 173.58 2dzm n GLY 57 N 5.14 0.80 3.29 6.08 0.00 -1.26 -3.99 105.19 115.25 2dzm n GLY 57 Ca -0.11 -0.25 -0.39 0.00 0.00 0.00 0.00 46.02 45.26 2dzm n GLY 57 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2dzm s ASP 58 N -2.82 5.53 0.30 1.61 -4.77 -1.26 -4.46 116.67 110.79 2dzm s ASP 58 Ca 0.00 -1.25 -0.29 0.00 -3.30 0.00 0.00 52.55 47.71 2dzm s ASP 58 Cb 0.00 -1.95 -0.10 0.00 -1.09 0.00 0.00 42.92 39.78 2dzm s ASP 58 CO 0.00 -0.42 1.36 -0.69 0.70 0.00 0.00 175.17 176.12 2dzm s VAL 59 N 1.44 2.69 0.38 2.11 1.01 -1.26 -5.01 120.40 121.77 2dzm s VAL 59 Ca 0.01 0.65 -0.06 0.00 0.00 0.00 0.00 61.98 62.58 2dzm s VAL 59 Cb -0.21 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 2dzm s VAL 59 CO 0.03 0.14 0.68 -1.83 0.00 0.00 0.00 175.10 174.12 2dzm s GLU 60 N -1.29 3.64 0.00 2.72 -1.05 -1.26 -4.95 118.70 116.52 2dzm s GLU 60 Ca 0.53 0.18 0.08 0.00 -0.15 0.00 0.00 54.97 55.61 2dzm s GLU 60 Cb -0.41 -2.49 0.40 0.00 -0.44 0.00 0.00 34.13 31.19 2dzm s GLU 60 CO 0.50 0.02 1.17 -0.40 0.95 0.00 0.00 175.26 177.49 2dzm n ASP 61 N -1.47 0.00 -0.42 0.83 5.68 -1.26 -1.23 116.55 118.68 2dzm n ASP 61 Ca -0.00 0.25 0.14 0.00 -0.50 0.00 0.00 54.79 54.68 2dzm n ASP 61 Cb 0.54 -0.34 0.55 0.00 -1.14 0.00 0.00 41.12 40.73 2dzm n ASP 61 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2dzm n SER 62 N -1.34 1.33 -4.90 -1.12 7.64 -1.26 -4.08 113.62 109.90 2dzm n SER 62 Ca 0.03 -1.40 -0.31 0.00 1.01 0.00 0.00 58.87 58.21 2dzm n SER 62 Cb 0.07 0.01 -0.04 0.00 -1.01 0.00 0.00 64.21 63.24 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 -2.05 5.26 -0.02 0.44 2.01 -0.36 -5.02 115.64 115.91 2dzm s THR 63 Ca 0.38 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 61.95 2dzm s THR 63 Cb 0.21 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 69.12 2dzm s THR 63 CO 0.35 0.14 -0.01 0.54 -0.69 0.00 0.00 174.62 174.96 2dzm s VAL 64 N -1.48 4.13 0.13 3.82 0.11 -1.26 -1.32 120.40 124.52 2dzm s VAL 64 Ca 0.34 -0.56 -0.31 0.00 -2.93 0.00 0.00 61.98 58.52 2dzm s VAL 64 Cb -0.13 -2.82 -0.08 0.00 -1.53 0.00 0.00 36.38 31.83 2dzm s VAL 64 CO 0.27 0.42 1.57 -0.07 -3.33 0.00 0.00 175.10 173.95 2dzm h LEU 65 N 4.50 -1.50 -1.04 2.54 3.38 -1.59 0.32 115.31 121.91 2dzm h LEU 65 Ca -0.49 0.19 0.15 0.00 0.09 0.00 0.00 57.88 57.83 2dzm h LEU 65 Cb 1.18 0.61 -0.02 0.00 0.09 0.00 0.00 40.66 42.51 2dzm h LEU 65 CO 0.56 -0.44 0.93 0.07 0.09 0.00 0.00 178.44 179.65 2dzm h LYS 66 N -0.51 0.00 -0.18 1.13 2.10 -0.47 0.74 116.57 119.38 2dzm h LYS 66 Ca 0.07 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.66 2dzm h LYS 66 Cb 0.64 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.97 2dzm h LYS 66 CO -0.44 0.00 -0.10 1.03 -2.00 0.00 0.00 179.45 177.94 2dzm h SER 67 N 0.00 0.40 1.08 7.07 0.87 -0.63 -3.21 113.55 119.12 2dzm h SER 67 Ca 0.25 -0.42 -0.16 0.00 -1.23 0.00 0.00 61.79 60.23 2dzm h SER 67 Cb 2.11 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 63.93 2dzm h SER 67 CO -0.00 0.73 -0.97 -0.07 -0.53 0.00 0.00 176.83 175.99 2dzm h LEU 68 N 0.06 0.00 -2.10 2.23 3.38 0.36 -3.49 115.31 115.76 2dzm h LEU 68 Ca 0.04 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.76 2dzm h LEU 68 Cb 0.59 0.00 0.16 0.00 0.09 0.00 0.00 40.66 41.49 2dzm h LEU 68 CO 0.03 0.66 -0.69 1.41 0.09 0.00 0.00 178.44 179.94 2dzm n HIS 69 N -3.14 -1.97 -1.43 1.13 8.25 0.16 -4.95 115.22 113.28 2dzm n HIS 69 Ca -0.03 0.76 -0.36 0.00 -0.26 0.00 0.00 57.72 57.83 2dzm n HIS 69 Cb 0.83 -4.27 0.09 0.00 1.12 0.00 0.00 29.99 27.76 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 -3.33 4.25 -4.75 2.41 7.99 -1.26 -4.98 117.00 117.34 2dzm n LEU 70 Ca -0.16 0.70 -0.30 0.00 -0.01 0.00 0.00 56.01 56.24 2dzm n LEU 70 Cb 0.62 -1.46 0.11 0.00 -0.11 0.00 0.00 43.42 42.59 2dzm n LEU 70 CO 0.51 -1.73 0.69 -2.16 -1.51 0.00 0.00 177.39 173.18 2dzm s PRO 71 N -3.42 1.84 0.29 3.23 0.04 -1.26 -4.91 135.00 130.82 2dzm s PRO 71 Ca 0.76 1.02 -0.03 0.00 0.04 0.00 0.00 61.00 62.79 2dzm s PRO 71 Cb -0.35 -1.86 0.62 0.00 0.04 0.00 0.00 34.50 32.95 2dzm s PRO 71 CO 0.48 -1.89 1.57 -0.22 0.04 0.00 0.00 177.00 176.98 2dzm h LYS 72 N -1.30 0.01 -5.56 4.56 3.64 -1.93 -3.37 116.57 112.62 2dzm h LYS 72 Ca -0.46 -0.00 -0.66 0.00 -1.27 0.00 0.00 60.65 58.26 2dzm h LYS 72 Cb 1.25 -0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 32.84 2dzm h LYS 72 CO 0.53 0.01 -0.71 1.21 -2.27 0.00 0.00 179.45 178.21 2dzm s ASN 73 N -5.11 4.47 0.27 4.20 2.47 -1.26 -2.32 114.94 117.65 2dzm s ASN 73 Ca -0.14 -0.17 0.10 0.00 0.42 0.00 0.00 52.86 53.07 2dzm s ASN 73 Cb 0.28 -1.54 -0.05 0.00 -1.45 0.00 0.00 41.25 38.49 2dzm s ASN 73 CO 0.78 0.22 -0.15 0.20 -3.72 0.00 0.00 177.10 174.43 2dzm s ASN 74 N 0.03 3.18 -0.20 -4.21 -0.87 0.39 -4.96 114.94 108.30 2dzm s ASN 74 Ca -0.02 -1.08 -0.04 0.00 -1.57 0.00 0.00 52.86 50.15 2dzm s ASN 74 Cb -0.14 -0.24 0.07 0.00 -0.02 0.00 0.00 41.25 40.92 2dzm s ASN 74 CO 0.03 -0.12 0.08 -0.94 -2.57 0.00 0.00 177.10 173.59 2dzm s SER 75 N -3.46 2.74 0.46 -1.22 1.04 -1.26 -2.10 113.70 109.90 2dzm s SER 75 Ca 0.28 -0.81 0.04 0.00 0.48 0.00 0.00 55.95 55.94 2dzm s SER 75 Cb -0.01 -0.38 -0.05 0.00 0.10 0.00 0.00 66.02 65.68 2dzm s SER 75 CO 0.12 -0.35 0.01 -0.76 0.98 0.00 0.00 173.24 173.24 2dzm s LEU 76 N 2.04 2.61 -0.05 2.42 1.43 0.18 -4.91 118.68 122.39 2dzm s LEU 76 Ca 0.03 -1.50 -0.21 0.00 -1.03 0.00 0.00 54.13 51.41 2dzm s LEU 76 Cb -0.16 -0.82 0.04 0.00 0.03 0.00 0.00 46.19 45.28 2dzm s LEU 76 CO -0.13 -0.64 0.47 -0.72 0.23 0.00 0.00 176.35 175.56 2dzm s TYR 77 N -2.79 -0.41 0.10 0.29 1.13 -1.25 -0.19 117.35 114.24 2dzm s TYR 77 Ca 0.21 0.74 0.02 0.00 -1.41 0.00 0.00 57.07 56.63 2dzm s TYR 77 Cb 0.06 0.23 -0.04 0.00 -1.10 0.00 0.00 41.96 41.11 2dzm s TYR 77 CO 0.11 -0.45 0.17 0.08 -2.51 0.00 0.00 175.55 172.94 2dzm s VAL 78 N -1.05 4.93 -0.14 -3.49 1.01 -1.21 -3.56 120.40 116.89 2dzm s VAL 78 Ca -0.11 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 2dzm s VAL 78 Cb -0.03 -3.44 0.05 0.00 0.00 0.00 0.00 36.38 32.96 2dzm s VAL 78 CO 0.06 0.05 0.08 -0.76 0.00 0.00 0.00 175.10 174.53 2dzm s LEU 79 N -2.70 0.33 -0.60 3.92 1.02 -1.24 -4.79 118.68 114.61 2dzm s LEU 79 Ca 0.32 -0.45 -0.08 0.00 0.02 0.00 0.00 54.13 53.94 2dzm s LEU 79 Cb -0.12 -0.23 0.16 0.00 0.02 0.00 0.00 46.19 46.02 2dzm s LEU 79 CO 0.25 -0.32 0.47 0.42 0.02 0.00 0.00 176.35 177.19 2dzm s THR 80 N 2.14 4.29 0.20 5.49 -4.23 -1.26 -3.37 115.64 118.89 2dzm s THR 80 Ca 0.03 -2.39 -0.04 0.00 -1.18 0.00 0.00 61.69 58.11 2dzm s THR 80 Cb -0.15 -3.77 -0.02 0.00 1.34 0.00 0.00 72.50 69.90 2dzm s THR 80 CO -0.08 -0.87 1.55 1.55 -0.54 0.00 0.00 174.62 176.24 2dzm h PRO 81 N 7.75 0.65 0.00 3.99 0.13 -1.99 -3.36 132.00 139.18 2dzm h PRO 81 Ca -0.06 -0.34 -0.03 0.00 -0.87 0.00 0.00 66.00 64.69 2dzm h PRO 81 Cb 1.02 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 2dzm h PRO 81 CO 0.77 0.95 -0.48 0.38 -0.23 0.00 0.00 178.00 179.40 2dzm h ASP 82 N 0.53 0.00 -2.66 1.44 3.04 -1.91 -3.46 116.42 113.40 2dzm h ASP 82 Ca 0.04 -0.12 -0.52 0.00 -3.24 0.00 0.00 57.03 53.18 2dzm h ASP 82 Cb 0.94 0.00 0.06 0.00 -1.04 0.00 0.00 39.33 39.30 2dzm h ASP 82 CO 0.09 0.82 1.00 -0.11 -2.04 0.00 0.00 179.24 178.99 2dzm n LEU 83 N -4.63 3.98 -4.71 0.15 7.94 -1.26 -4.98 117.00 113.50 2dzm n LEU 83 Ca -0.09 1.06 -0.30 0.00 -1.11 0.00 0.00 56.01 55.58 2dzm n LEU 83 Cb 0.28 -1.57 0.14 0.00 0.53 0.00 0.00 43.42 42.80 2dzm n LEU 83 CO 0.11 0.17 0.66 -2.16 -1.11 0.00 0.00 177.39 175.06 2dzm s PRO 84 N 1.10 1.13 0.92 1.96 0.04 -1.26 -4.77 135.00 134.12 2dzm s PRO 84 Ca 0.75 0.77 -0.12 0.00 0.04 0.00 0.00 61.00 62.45 2dzm s PRO 84 Cb -0.51 -1.80 0.14 0.00 0.04 0.00 0.00 34.50 32.37 2dzm s PRO 84 CO 0.33 -2.32 1.09 -1.25 0.04 0.00 0.00 177.00 174.90 2dzm s PRO 85 N -4.94 1.05 -0.32 0.56 0.04 -1.26 -4.94 135.00 125.19 2dzm s PRO 85 Ca 0.64 0.75 -0.29 0.00 0.04 0.00 0.00 61.00 62.14 2dzm s PRO 85 Cb -0.18 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 2dzm s PRO 85 CO 0.57 -2.36 1.68 -1.25 0.04 0.00 0.00 177.00 175.67 2dzm s PRO 86 N -4.94 3.49 -0.20 0.56 0.04 -1.26 -4.84 135.00 127.85 2dzm s PRO 86 Ca 0.64 1.37 0.03 0.00 0.04 0.00 0.00 61.00 63.09 2dzm s PRO 86 Cb -0.18 -4.13 -0.14 0.00 0.04 0.00 0.00 34.50 30.09 2dzm s PRO 86 CO 0.57 -1.67 -0.15 0.43 0.04 0.00 0.00 177.00 176.22 2dzm n SER 87 N 9.57 2.20 -3.22 6.66 7.64 -1.26 -4.96 113.62 130.25 2dzm n SER 87 Ca 0.21 -0.10 -0.01 0.00 1.01 0.00 0.00 58.87 59.98 2dzm n SER 87 Cb 0.47 -0.17 -0.03 0.00 -1.01 0.00 0.00 64.21 63.47 2dzm n SER 87 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dzm s SER 88 N -5.88 -0.78 0.21 6.43 0.15 -1.26 -5.16 113.70 107.40 2dzm s SER 88 Ca -0.25 0.50 0.01 0.00 0.70 0.00 0.00 55.95 56.90 2dzm s SER 88 Cb 0.07 1.75 -0.05 0.00 -1.71 0.00 0.00 66.02 66.08 2dzm s SER 88 CO 0.50 -0.28 0.06 -0.55 1.20 0.00 0.00 173.24 174.17 2dzm s SER 89 N 2.74 0.97 0.60 5.45 0.15 -1.26 -5.15 113.70 117.20 2dzm s SER 89 Ca 0.16 -1.29 -0.16 0.00 0.70 0.00 0.00 55.95 55.36 2dzm s SER 89 Cb -0.14 0.19 -0.03 0.00 -1.71 0.00 0.00 66.02 64.32 2dzm s SER 89 CO -0.21 -0.69 1.08 -0.44 1.20 0.00 0.00 173.24 174.19 2dzm s SER 90 N -3.21 5.63 -0.15 5.45 0.01 -1.26 -5.01 113.70 115.16 2dzm s SER 90 Ca 0.31 1.92 -0.11 0.00 1.31 0.00 0.00 55.95 59.38 2dzm s SER 90 Cb 0.07 -2.55 -0.06 0.00 0.21 0.00 0.00 66.02 63.69 2dzm s SER 90 CO 0.09 -1.27 -0.25 1.57 0.41 0.00 0.00 173.24 173.79 2dzm n HIS 91 N -1.98 0.00 -3.25 2.43 -0.00 -1.26 -4.81 115.22 106.35 2dzm n HIS 91 Ca 0.10 0.00 -0.45 0.00 0.46 0.00 0.00 57.72 57.83 2dzm n HIS 91 Cb 0.52 -0.53 -0.00 0.00 -0.12 0.00 0.00 29.99 29.86 2dzm n HIS 91 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2dzm s ALA 92 N -2.48 4.55 0.00 1.57 0.00 -1.26 -5.02 121.76 119.12 2dzm s ALA 92 Ca -0.24 -3.71 0.00 0.00 0.00 0.00 0.00 51.96 48.01 2dzm s ALA 92 Cb 0.07 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2dzm s ALA 92 CO 0.32 -2.33 0.00 0.41 0.00 0.00 0.00 175.76 174.16 2dzm n GLY 93 N 3.07 0.60 2.79 0.00 0.00 -1.26 -4.42 105.19 105.97 2dzm n GLY 93 Ca 0.26 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.77 1.71 -0.43 4.61 0.00 -1.26 -4.92 121.76 120.70 2dzm s ALA 94 Ca 0.00 -1.67 -0.28 0.00 0.00 0.00 0.00 51.96 50.00 2dzm s ALA 94 Cb 0.00 -1.61 -0.00 0.00 0.00 0.00 0.00 23.12 21.51 2dzm s ALA 94 CO 0.00 -1.58 1.57 -1.17 0.00 0.00 0.00 175.76 174.57 2dzm s LEU 95 N 1.52 3.50 -0.17 0.00 1.98 -1.26 -4.96 118.68 119.30 2dzm s LEU 95 Ca 0.08 0.83 -0.08 0.00 -2.89 0.00 0.00 54.13 52.06 2dzm s LEU 95 Cb -0.18 -3.36 0.06 0.00 0.66 0.00 0.00 46.19 43.38 2dzm s LEU 95 CO -0.20 -1.65 0.38 0.00 -1.89 0.00 0.00 176.35 173.00 2dzm s GLN 96 N 5.43 0.34 -0.13 1.98 -2.07 -1.26 -5.15 119.66 118.80 2dzm s GLN 96 Ca 0.66 0.81 -0.07 0.00 -1.82 0.00 0.00 55.36 54.94 2dzm s GLN 96 Cb -0.16 0.03 -0.04 0.00 -1.09 0.00 0.00 33.01 31.76 2dzm s GLN 96 CO 0.31 -0.19 0.12 -1.21 -1.32 0.00 0.00 175.29 173.00 2dzm s GLU 97 N 1.69 3.52 -0.13 9.60 0.41 -1.26 -4.99 118.70 127.55 2dzm s GLU 97 Ca -0.07 -0.19 0.10 0.00 -0.41 0.00 0.00 54.97 54.40 2dzm s GLU 97 Cb -0.10 -3.17 -0.15 0.00 -1.78 0.00 0.00 34.13 28.93 2dzm s GLU 97 CO -0.12 0.67 0.03 -1.13 -0.49 0.00 0.00 175.26 174.21 2dzm n SER 98 N 2.32 1.96 -0.08 -0.19 3.41 -1.26 -4.60 113.62 115.17 2dzm n SER 98 Ca -0.19 -0.01 -0.06 0.00 -0.26 0.00 0.00 58.87 58.35 2dzm n SER 98 Cb 0.54 0.71 -0.00 0.00 -0.26 0.00 0.00 64.21 65.20 2dzm n SER 98 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2dzm h LEU 99 N 0.00 -0.46 -1.41 1.04 -0.00 -2.09 -3.59 115.31 108.81 2dzm h LEU 99 Ca -0.35 0.12 0.00 0.00 -0.00 0.00 0.00 57.88 57.65 2dzm h LEU 99 Cb 1.76 0.26 0.00 0.00 -0.00 0.00 0.00 40.66 42.68 2dzm h LEU 99 CO 0.01 -0.17 0.00 -0.46 -0.00 0.00 0.00 178.44 177.82