#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmz h SER 2 N 0.00 -0.27 -4.11 1.61 0.02 -2.08 -3.46 113.55 105.26 2dmz h SER 2 Ca 0.00 -0.19 -0.08 0.00 -0.84 0.00 0.00 61.79 60.68 2dmz h SER 2 Cb 0.00 0.07 -0.22 0.00 0.14 0.00 0.00 62.40 62.39 2dmz h SER 2 CO 0.00 0.05 -0.05 -0.55 -1.14 0.00 0.00 176.83 175.15 2dmz s SER 3 N -5.15 -0.57 0.00 3.07 0.15 -1.26 -5.08 113.70 104.86 2dmz s SER 3 Ca -0.15 1.02 0.00 0.00 0.70 0.00 0.00 55.95 57.53 2dmz s SER 3 Cb 0.03 1.03 0.00 0.00 -1.71 0.00 0.00 66.02 65.37 2dmz s SER 3 CO 0.59 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.39 2dmz n GLY 4 N 2.50 1.08 3.87 9.45 0.00 -1.26 -5.14 105.19 115.69 2dmz n GLY 4 Ca -0.15 -0.50 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 2dmz n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmz s SER 5 N 0.00 6.53 -0.04 1.61 1.04 -1.26 -5.02 113.70 116.55 2dmz s SER 5 Ca 0.00 0.63 -0.23 0.00 0.48 0.00 0.00 55.95 56.83 2dmz s SER 5 Cb 0.00 -2.12 -0.17 0.00 0.10 0.00 0.00 66.02 63.83 2dmz s SER 5 CO 0.00 0.34 0.98 0.28 0.98 0.00 0.00 173.24 175.82 2dmz h SER 6 N 4.63 -0.16 0.00 7.02 0.02 -1.88 -3.50 113.55 119.68 2dmz h SER 6 Ca -0.53 -0.38 0.00 0.00 -0.84 0.00 0.00 61.79 60.04 2dmz h SER 6 Cb 1.22 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2dmz h SER 6 CO 0.61 0.38 0.00 0.61 -1.14 0.00 0.00 176.83 177.29 2dmz n GLY 7 N 0.47 -1.46 3.15 -3.77 0.00 -1.26 -5.11 105.19 97.22 2dmz n GLY 7 Ca -0.08 0.58 0.06 0.00 0.00 0.00 0.00 46.02 46.58 2dmz n GLY 7 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dmz s GLY 8 N 0.00 -0.38 0.05 -0.02 0.00 -1.26 -4.99 107.32 100.72 2dmz s GLY 8 Ca 0.00 2.80 0.01 0.00 0.00 0.00 0.00 44.72 47.53 2dmz s GLY 8 CO 0.00 4.00 -0.06 -1.35 0.00 0.00 0.00 173.10 175.69 2dmz s SER 9 N 2.98 0.74 -0.81 1.64 1.04 -1.26 -5.10 113.70 112.93 2dmz s SER 9 Ca 0.04 -0.64 -0.26 0.00 0.48 0.00 0.00 55.95 55.58 2dmz s SER 9 Cb -0.06 0.07 0.03 0.00 0.10 0.00 0.00 66.02 66.15 2dmz s SER 9 CO -0.12 -0.29 1.40 1.51 0.98 0.00 0.00 173.24 176.71 2dmz s ASP 10 N -1.86 6.15 0.03 7.02 -4.77 -1.26 -4.96 116.67 117.02 2dmz s ASP 10 Ca -0.07 -0.67 0.01 0.00 -3.30 0.00 0.00 52.55 48.52 2dmz s ASP 10 Cb -0.07 -2.56 -0.02 0.00 -1.09 0.00 0.00 42.92 39.18 2dmz s ASP 10 CO -0.01 -1.82 -0.05 -0.55 0.70 0.00 0.00 175.17 173.43 2dmz s SER 11 N 4.57 0.55 -1.06 2.11 0.15 -1.26 -4.84 113.70 113.93 2dmz s SER 11 Ca 0.42 -0.47 -0.11 0.00 0.70 0.00 0.00 55.95 56.49 2dmz s SER 11 Cb -0.06 0.05 0.01 0.00 -1.71 0.00 0.00 66.02 64.32 2dmz s SER 11 CO 0.08 -0.21 0.20 -1.20 1.20 0.00 0.00 173.24 173.31 2dmz n SER 12 N 1.71 -0.77 0.22 5.45 7.64 -1.26 -4.74 113.62 121.87 2dmz n SER 12 Ca -0.22 -0.97 0.15 0.00 1.01 0.00 0.00 58.87 58.84 2dmz n SER 12 Cb 0.55 -1.18 0.80 0.00 -1.01 0.00 0.00 64.21 63.37 2dmz n SER 12 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2dmz h LEU 13 N -1.14 0.00 -9.85 -3.43 -0.00 -1.97 -3.43 115.31 95.50 2dmz h LEU 13 Ca -0.51 0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 56.80 2dmz h LEU 13 Cb 1.05 0.00 -0.09 0.00 -0.00 0.00 0.00 40.66 41.62 2dmz h LEU 13 CO 0.47 0.00 -0.52 -0.36 -0.00 0.00 0.00 178.44 178.04 2dmz s PHE 14 N -4.77 2.60 -0.02 1.13 0.40 -1.26 -1.00 117.98 115.06 2dmz s PHE 14 Ca -0.05 -0.57 0.04 0.00 -0.60 0.00 0.00 56.93 55.74 2dmz s PHE 14 Cb 0.16 -1.89 -0.00 0.00 0.51 0.00 0.00 43.02 41.79 2dmz s PHE 14 CO 0.59 0.24 -0.12 -1.83 0.70 0.00 0.00 175.22 174.80 2dmz s GLU 15 N -3.87 1.14 -0.09 0.44 -1.05 0.59 -4.82 118.70 111.05 2dmz s GLU 15 Ca 0.40 -0.44 -0.05 0.00 -0.15 0.00 0.00 54.97 54.73 2dmz s GLU 15 Cb 0.04 -1.07 -0.04 0.00 -0.44 0.00 0.00 34.13 32.62 2dmz s GLU 15 CO 0.22 0.22 0.12 0.99 0.95 0.00 0.00 175.26 177.76 2dmz s THR 16 N -0.10 5.22 -0.02 1.83 2.01 -1.26 -1.06 115.64 122.27 2dmz s THR 16 Ca 0.01 0.02 -0.08 0.00 0.31 0.00 0.00 61.69 61.95 2dmz s THR 16 Cb -0.07 -3.30 0.01 0.00 0.01 0.00 0.00 72.50 69.15 2dmz s THR 16 CO 0.00 0.55 0.16 -0.72 -0.69 0.00 0.00 174.62 173.92 2dmz s TYR 17 N -1.07 -0.03 -0.10 4.92 1.13 -0.13 -4.99 117.35 117.08 2dmz s TYR 17 Ca 0.17 0.05 -0.06 0.00 -1.41 0.00 0.00 57.07 55.82 2dmz s TYR 17 Cb -0.12 -0.01 -0.04 0.00 -1.10 0.00 0.00 41.96 40.69 2dmz s TYR 17 CO 0.07 -0.25 0.15 -0.80 -2.51 0.00 0.00 175.55 172.21 2dmz s ASN 18 N -1.02 6.39 -0.17 -0.18 -0.87 -1.26 -1.93 114.94 115.89 2dmz s ASN 18 Ca -0.11 0.46 0.01 0.00 -1.57 0.00 0.00 52.86 51.64 2dmz s ASN 18 Cb -0.06 -2.06 0.03 0.00 -0.02 0.00 0.00 41.25 39.14 2dmz s ASN 18 CO 0.01 0.39 -0.14 -0.69 -2.57 0.00 0.00 177.10 174.10 2dmz s VAL 19 N -1.07 1.68 -0.61 1.60 1.01 0.36 -4.90 120.40 118.47 2dmz s VAL 19 Ca 0.17 -0.83 -0.20 0.00 0.00 0.00 0.00 61.98 61.12 2dmz s VAL 19 Cb -0.12 -1.63 0.09 0.00 0.00 0.00 0.00 36.38 34.71 2dmz s VAL 19 CO 0.06 0.36 0.79 -0.70 0.00 0.00 0.00 175.10 175.62 2dmz s GLU 20 N 1.42 3.08 0.20 2.72 -6.30 -1.25 -0.31 118.70 118.26 2dmz s GLU 20 Ca 0.03 -1.09 -0.12 0.00 -2.50 0.00 0.00 54.97 51.29 2dmz s GLU 20 Cb -0.14 -4.23 -0.07 0.00 0.00 0.00 0.00 34.13 29.69 2dmz s GLU 20 CO -0.10 -1.60 0.55 -0.51 0.02 0.00 0.00 175.26 173.62 2dmz s LEU 21 N 3.18 4.23 -0.12 2.70 1.43 0.40 -4.86 118.68 125.64 2dmz s LEU 21 Ca 0.16 0.99 -0.02 0.00 -1.03 0.00 0.00 54.13 54.23 2dmz s LEU 21 Cb -0.21 -3.52 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 2dmz s LEU 21 CO 0.08 -0.00 -0.05 0.54 0.23 0.00 0.00 176.35 177.15 2dmz s VAL 22 N -1.68 3.82 -0.43 -1.59 0.11 -1.26 -2.20 120.40 117.17 2dmz s VAL 22 Ca 0.44 -0.41 -0.12 0.00 -2.93 0.00 0.00 61.98 58.96 2dmz s VAL 22 Cb -0.13 -2.63 0.06 0.00 -1.53 0.00 0.00 36.38 32.16 2dmz s VAL 22 CO 0.20 0.54 0.31 -0.13 -3.33 0.00 0.00 175.10 172.69 2dmz s ARG 23 N -0.17 2.82 1.15 1.54 0.52 -1.23 -4.53 118.95 119.04 2dmz s ARG 23 Ca 0.03 -1.32 -0.17 0.00 -0.52 0.00 0.00 55.73 53.75 2dmz s ARG 23 Cb -0.13 -3.93 0.24 0.00 0.52 0.00 0.00 34.95 31.66 2dmz s ARG 23 CO 0.03 -0.92 0.52 1.63 0.02 0.00 0.00 175.30 176.58 2dmz n LYS 24 N 5.06 -3.10 -1.42 3.54 4.76 -1.26 -4.66 118.16 121.08 2dmz n LYS 24 Ca -0.11 -0.92 -0.36 0.00 -2.87 0.00 0.00 58.31 54.05 2dmz n LYS 24 Cb 0.44 -1.63 -0.07 0.00 -1.84 0.00 0.00 35.03 31.93 2dmz n LYS 24 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2dmz n ASP 25 N -2.76 2.41 0.00 4.39 8.00 -1.26 -2.75 116.55 124.58 2dmz n ASP 25 Ca 0.08 -2.65 0.00 0.00 0.71 0.00 0.00 54.79 52.94 2dmz n ASP 25 Cb 0.43 -1.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.22 2dmz n ASP 25 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dmz n GLY 26 N 5.17 0.84 3.22 0.44 0.00 -1.26 -5.13 105.19 108.46 2dmz n GLY 26 Ca 0.47 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.22 2dmz n GLY 26 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dmz s GLN 27 N 0.33 1.60 0.08 1.61 0.74 -1.11 -5.14 119.66 117.77 2dmz s GLN 27 Ca 0.00 -0.75 -0.08 0.00 0.05 0.00 0.00 55.36 54.58 2dmz s GLN 27 Cb 0.00 -1.57 -0.05 0.00 1.10 0.00 0.00 33.01 32.49 2dmz s GLN 27 CO 0.00 0.43 0.36 0.45 -0.55 0.00 0.00 175.29 175.98 2dmz s SER 28 N -0.56 6.57 0.19 6.67 0.15 -1.26 -4.57 113.70 120.89 2dmz s SER 28 Ca 0.08 0.69 -0.14 0.00 0.70 0.00 0.00 55.95 57.27 2dmz s SER 28 Cb -0.08 -2.14 0.20 0.00 -1.71 0.00 0.00 66.02 62.29 2dmz s SER 28 CO -0.00 0.16 1.28 -0.11 1.20 0.00 0.00 173.24 175.77 2dmz n LEU 29 N 0.77 -0.54 -1.05 3.45 7.94 -1.26 -3.98 117.00 122.33 2dmz n LEU 29 Ca -0.07 1.44 -0.01 0.00 -1.11 0.00 0.00 56.01 56.25 2dmz n LEU 29 Cb 0.52 -0.33 0.01 0.00 0.53 0.00 0.00 43.42 44.15 2dmz n LEU 29 CO 0.43 -1.29 0.01 0.61 -1.11 0.00 0.00 177.39 176.04 2dmz n GLY 30 N -1.39 0.50 2.74 -3.96 0.00 -1.26 -2.50 105.19 99.32 2dmz n GLY 30 Ca 0.08 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.36 2dmz n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dmz s ILE 31 N -3.02 0.44 0.10 -0.61 1.01 -1.26 -1.94 121.20 115.92 2dmz s ILE 31 Ca 0.01 -0.31 -0.28 0.00 0.00 0.00 0.00 60.65 60.07 2dmz s ILE 31 Cb -0.00 -0.84 -0.06 0.00 0.01 0.00 0.00 42.46 41.57 2dmz s ILE 31 CO 0.05 -0.06 0.87 -0.13 0.00 0.00 0.00 174.94 175.67 2dmz s ARG 32 N 1.91 4.62 0.41 2.79 1.81 0.40 -4.99 118.95 125.91 2dmz s ARG 32 Ca 0.01 1.29 0.07 0.00 -1.72 0.00 0.00 55.73 55.39 2dmz s ARG 32 Cb -0.15 -3.36 -0.04 0.00 -0.45 0.00 0.00 34.95 30.95 2dmz s ARG 32 CO -0.07 0.29 0.26 0.96 -0.68 0.00 0.00 175.30 176.06 2dmz s ILE 33 N -0.18 2.46 0.07 1.52 -4.36 -1.26 -0.20 121.20 119.24 2dmz s ILE 33 Ca 0.43 -1.55 -0.11 0.00 -0.26 0.00 0.00 60.65 59.16 2dmz s ILE 33 Cb -0.22 -3.00 0.01 0.00 1.25 0.00 0.00 42.46 40.50 2dmz s ILE 33 CO 0.27 -0.00 0.24 0.54 0.24 0.00 0.00 174.94 176.23 2dmz s VAL 34 N -2.54 0.11 -0.12 8.37 0.11 0.64 -4.30 120.40 122.67 2dmz s VAL 34 Ca 0.44 -0.91 -0.01 0.00 -2.93 0.00 0.00 61.98 58.57 2dmz s VAL 34 Cb 0.01 -1.09 -0.02 0.00 -1.53 0.00 0.00 36.38 33.74 2dmz s VAL 34 CO 0.25 -0.50 -0.07 -0.83 -3.33 0.00 0.00 175.10 170.61 2dmz s GLY 35 N -2.42 1.66 0.07 6.54 0.00 -1.26 -2.45 107.32 109.45 2dmz s GLY 35 Ca -0.01 -0.86 0.05 0.00 0.00 0.00 0.00 44.72 43.91 2dmz s GLY 35 CO -0.07 -0.28 -0.15 -0.19 0.00 0.00 0.00 173.10 172.41 2dmz s TYR 36 N 0.01 1.26 0.00 1.90 1.51 -0.03 -4.96 117.35 117.06 2dmz s TYR 36 Ca -0.01 -0.43 0.00 0.00 -1.01 0.00 0.00 57.07 55.62 2dmz s TYR 36 Cb -0.14 -0.72 0.00 0.00 -0.11 0.00 0.00 41.96 41.00 2dmz s TYR 36 CO 0.03 0.06 0.00 1.33 -1.11 0.00 0.00 175.55 175.87 2dmz n VAL 37 N 1.41 0.00 -1.22 0.71 0.24 -1.26 -2.16 118.33 116.05 2dmz n VAL 37 Ca -0.20 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 2dmz n VAL 37 Cb 0.54 0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 2dmz n VAL 37 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dmz n GLY 38 N 1.95 -3.98 4.00 7.63 0.00 -1.19 -4.79 105.19 108.81 2dmz n GLY 38 Ca 0.00 -0.90 -0.18 0.00 0.00 0.00 0.00 46.02 44.94 2dmz n GLY 38 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2dmz s THR 39 N -4.29 3.14 -0.71 2.61 -1.32 -1.26 -4.97 115.64 108.84 2dmz s THR 39 Ca 0.00 -0.92 -0.26 0.00 -1.21 0.00 0.00 61.69 59.30 2dmz s THR 39 Cb 0.00 -3.08 -0.14 0.00 -1.51 0.00 0.00 72.50 67.77 2dmz s THR 39 CO 0.00 -0.04 2.46 -0.24 -2.21 0.00 0.00 174.62 174.59 2dmz n SER 40 N -1.92 1.43 -2.53 8.08 2.88 -1.26 -4.70 113.62 115.61 2dmz n SER 40 Ca 0.07 -0.57 -0.08 0.00 -1.33 0.00 0.00 58.87 56.95 2dmz n SER 40 Cb 0.59 -1.36 0.01 0.00 -0.75 0.00 0.00 64.21 62.70 2dmz n SER 40 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2dmz n HIS 41 N 14.43 -1.97 -2.54 0.66 -0.00 -1.26 -5.09 115.22 119.45 2dmz n HIS 41 Ca 0.48 -1.64 -0.41 0.00 -0.00 0.00 0.00 57.72 56.15 2dmz n HIS 41 Cb 0.38 0.71 -0.03 0.00 -0.00 0.00 0.00 29.99 31.05 2dmz n HIS 41 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 2dmz s THR 42 N -2.36 3.79 -0.96 1.59 -4.23 -1.26 -4.26 115.64 107.95 2dmz s THR 42 Ca 0.16 -0.08 -0.10 0.00 -1.18 0.00 0.00 61.69 60.49 2dmz s THR 42 Cb -0.03 -4.96 -0.01 0.00 1.34 0.00 0.00 72.50 68.84 2dmz s THR 42 CO 0.12 -1.87 0.74 0.61 -0.54 0.00 0.00 174.62 173.68 2dmz n GLY 43 N 6.01 -1.14 3.79 3.99 0.00 -1.26 -4.94 105.19 111.64 2dmz n GLY 43 Ca 0.16 0.50 -0.37 0.00 0.00 0.00 0.00 46.02 46.31 2dmz n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dmz s GLU 44 N -4.88 4.45 0.08 1.61 2.56 -1.26 -4.97 118.70 116.28 2dmz s GLU 44 Ca 0.26 1.10 -0.37 0.00 0.00 0.00 0.00 54.97 55.96 2dmz s GLU 44 Cb -0.08 -2.95 -0.18 0.00 2.00 0.00 0.00 34.13 32.92 2dmz s GLU 44 CO 0.83 0.40 1.19 0.00 -0.56 0.00 0.00 175.26 177.12 2dmz n ALA 45 N 0.89 -1.93 -3.64 6.30 0.00 -1.26 -4.75 120.51 116.12 2dmz n ALA 45 Ca -0.02 0.53 -0.04 0.00 0.00 0.00 0.00 53.44 53.92 2dmz n ALA 45 Cb 0.50 -1.94 -0.06 0.00 0.00 0.00 0.00 19.45 17.95 2dmz n ALA 45 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2dmz s SER 46 N 0.18 -1.00 0.00 0.00 1.04 -1.26 -3.18 113.70 109.47 2dmz s SER 46 Ca 0.84 1.49 0.00 0.00 0.48 0.00 0.00 55.95 58.76 2dmz s SER 46 Cb -1.04 1.77 0.00 0.00 0.10 0.00 0.00 66.02 66.85 2dmz s SER 46 CO 0.51 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 175.12 2dmz n GLY 47 N 4.79 0.37 3.42 7.32 0.00 -0.92 -4.94 105.19 115.23 2dmz n GLY 47 Ca -0.16 -1.29 -0.35 0.00 0.00 0.00 0.00 46.02 44.22 2dmz n GLY 47 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dmz s ILE 48 N -4.00 3.82 0.34 -0.61 -1.09 -1.26 -0.85 121.20 117.55 2dmz s ILE 48 Ca 0.00 -0.36 0.06 0.00 -2.23 0.00 0.00 60.65 58.12 2dmz s ILE 48 Cb 0.00 -2.72 -0.07 0.00 -1.58 0.00 0.00 42.46 38.09 2dmz s ILE 48 CO 0.00 0.43 0.00 -0.31 -1.23 0.00 0.00 174.94 173.83 2dmz s TYR 49 N 1.05 2.13 -0.70 3.97 1.51 -1.03 -0.35 117.35 123.93 2dmz s TYR 49 Ca 0.02 -0.78 -0.22 0.00 -1.01 0.00 0.00 57.07 55.07 2dmz s TYR 49 Cb -0.14 -1.37 0.08 0.00 -0.11 0.00 0.00 41.96 40.41 2dmz s TYR 49 CO 0.01 0.23 1.00 0.08 -1.11 0.00 0.00 175.55 175.77 2dmz s VAL 50 N -3.02 4.34 0.17 0.71 1.01 -0.70 -0.26 120.40 122.65 2dmz s VAL 50 Ca 0.34 -0.48 -0.14 0.00 0.00 0.00 0.00 61.98 61.70 2dmz s VAL 50 Cb 0.07 -4.71 0.06 0.00 0.00 0.00 0.00 36.38 31.81 2dmz s VAL 50 CO 0.15 -1.49 1.77 0.50 0.00 0.00 0.00 175.10 176.03 2dmz h LYS 51 N 9.51 0.40 -3.05 2.72 1.63 -0.77 -3.29 116.57 123.72 2dmz h LYS 51 Ca -0.23 -0.02 0.05 0.00 -0.85 0.00 0.00 60.65 59.60 2dmz h LYS 51 Cb 1.06 -0.09 -0.06 0.00 -0.60 0.00 0.00 32.23 32.54 2dmz h LYS 51 CO 1.18 0.27 0.20 -1.12 -3.45 0.00 0.00 179.45 176.53 2dmz s SER 52 N -5.44 -0.26 -0.23 4.20 0.01 -1.20 -4.90 113.70 105.88 2dmz s SER 52 Ca -0.13 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.53 2dmz s SER 52 Cb 0.13 0.71 0.06 0.00 0.21 0.00 0.00 66.02 67.13 2dmz s SER 52 CO 0.73 -1.31 -0.04 -0.69 0.41 0.00 0.00 173.24 172.34 2dmz s VAL 53 N -3.92 1.34 0.08 3.43 1.01 -1.26 -0.46 120.40 120.62 2dmz s VAL 53 Ca 0.11 -1.10 -0.31 0.00 0.00 0.00 0.00 61.98 60.69 2dmz s VAL 53 Cb -0.05 -1.65 -0.09 0.00 0.00 0.00 0.00 36.38 34.59 2dmz s VAL 53 CO 0.06 -0.13 1.72 -0.63 0.00 0.00 0.00 175.10 176.12 2dmz s ILE 54 N 1.48 2.93 0.48 2.22 1.09 -0.82 -4.93 121.20 123.66 2dmz s ILE 54 Ca -0.05 0.35 -0.22 0.00 -1.10 0.00 0.00 60.65 59.63 2dmz s ILE 54 Cb -0.19 -3.23 -0.07 0.00 -1.06 0.00 0.00 42.46 37.92 2dmz s ILE 54 CO -0.07 -0.00 1.16 -2.16 -0.10 0.00 0.00 174.94 173.77 2dmz s PRO 55 N 2.84 3.67 -0.04 2.79 0.04 -1.26 -3.32 135.00 139.72 2dmz s PRO 55 Ca 0.77 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.55 2dmz s PRO 55 Cb -0.41 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 31.81 2dmz s PRO 55 CO 0.34 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 177.17 2dmz n GLY 56 N 0.38 0.46 3.87 0.56 0.00 -1.26 -5.03 105.19 104.17 2dmz n GLY 56 Ca 0.08 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 2dmz n GLY 56 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dmz s SER 57 N -2.46 4.62 0.23 1.61 1.04 -1.21 -4.93 113.70 112.61 2dmz s SER 57 Ca 0.00 -1.18 -0.07 0.00 0.48 0.00 0.00 55.95 55.18 2dmz s SER 57 Cb 0.00 0.15 0.31 0.00 0.10 0.00 0.00 66.02 66.59 2dmz s SER 57 CO 0.00 -0.94 1.83 0.00 0.98 0.00 0.00 173.24 175.11 2dmz h ALA 58 N 0.93 1.08 0.51 5.32 0.00 -1.65 0.44 119.26 125.89 2dmz h ALA 58 Ca -0.39 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 2dmz h ALA 58 Cb 1.29 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.90 2dmz h ALA 58 CO 0.60 0.17 -0.25 0.00 0.00 0.00 0.00 179.25 179.78 2dmz h ALA 59 N 1.39 -0.69 -0.31 0.00 0.00 -1.75 -0.30 119.26 117.60 2dmz h ALA 59 Ca 0.35 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 2dmz h ALA 59 Cb 0.20 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2dmz h ALA 59 CO -0.19 -0.82 0.08 -0.92 0.00 0.00 0.00 179.25 177.40 2dmz h TYR 60 N -0.83 0.44 -0.32 0.00 3.20 -1.68 -2.12 116.97 115.66 2dmz h TYR 60 Ca -0.07 -0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.66 2dmz h TYR 60 Cb 0.59 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 2dmz h TYR 60 CO -0.01 0.39 -0.29 0.45 -1.64 0.00 0.00 178.16 177.06 2dmz h HIS 61 N 0.44 0.77 0.10 -3.82 3.86 0.04 -3.33 115.15 113.21 2dmz h HIS 61 Ca 0.11 -0.19 -0.00 0.00 -1.16 0.00 0.00 60.37 59.12 2dmz h HIS 61 Cb 0.17 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.46 2dmz h HIS 61 CO 0.01 0.88 -0.05 -0.97 0.86 0.00 0.00 177.93 178.66 2dmz h ASN 62 N 0.57 -0.11 0.00 2.45 -1.24 -0.41 -3.49 115.58 113.36 2dmz h ASN 62 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.08 2dmz h ASN 62 Cb 0.78 0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.86 2dmz h ASN 62 CO 0.06 -0.05 0.00 0.61 -1.29 0.00 0.00 177.43 176.77 2dmz n GLY 63 N 0.13 1.24 0.06 1.57 0.00 -0.91 -5.00 105.19 102.28 2dmz n GLY 63 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 2dmz n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2dmz n HIS 64 N -1.47 0.00 -3.29 1.61 8.25 -1.26 -4.95 115.22 114.11 2dmz n HIS 64 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 2dmz n HIS 64 Cb 0.00 -0.49 -0.08 0.00 1.12 0.00 0.00 29.99 30.54 2dmz n HIS 64 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2dmz s ILE 65 N -2.25 5.08 0.27 1.59 1.01 -1.26 -5.05 121.20 120.59 2dmz s ILE 65 Ca -0.17 0.50 0.03 0.00 0.00 0.00 0.00 60.65 61.01 2dmz s ILE 65 Cb 0.04 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.63 2dmz s ILE 65 CO 0.30 -0.04 0.18 -1.10 0.00 0.00 0.00 174.94 174.27 2dmz s GLN 66 N 2.26 1.49 1.16 2.79 1.11 -1.26 -4.72 119.66 122.48 2dmz s GLN 66 Ca 0.18 -1.83 -0.13 0.00 0.01 0.00 0.00 55.36 53.59 2dmz s GLN 66 Cb -0.16 0.14 0.27 0.00 -1.01 0.00 0.00 33.01 32.25 2dmz s GLN 66 CO 0.11 -0.47 0.94 1.33 0.01 0.00 0.00 175.29 177.21 2dmz n VAL 67 N -0.47 0.00 -2.33 1.09 0.24 -1.26 -3.57 118.33 112.03 2dmz n VAL 67 Ca 0.03 -0.42 -0.17 0.00 -2.04 0.00 0.00 64.34 61.74 2dmz n VAL 67 Cb 0.65 -0.97 -0.01 0.00 -1.47 0.00 0.00 33.84 32.04 2dmz n VAL 67 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2dmz n ASN 68 N -4.68 -4.99 -4.28 -1.34 3.02 -1.24 -4.96 115.26 96.78 2dmz n ASN 68 Ca 0.03 -0.02 -0.31 0.00 -0.03 0.00 0.00 54.58 54.26 2dmz n ASN 68 Cb 0.54 -4.08 -0.16 0.00 -0.61 0.00 0.00 39.78 35.47 2dmz n ASN 68 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2dmz s ASP 69 N -2.24 2.98 -0.25 6.41 1.01 -1.23 -4.99 116.67 118.35 2dmz s ASP 69 Ca 0.00 -0.47 -0.10 0.00 0.71 0.00 0.00 52.55 52.69 2dmz s ASP 69 Cb -0.00 -0.49 -0.05 0.00 1.01 0.00 0.00 42.92 43.39 2dmz s ASP 69 CO 0.00 0.29 0.16 -0.75 0.21 0.00 0.00 175.17 175.08 2dmz s LYS 70 N -0.45 3.98 0.09 8.23 2.36 -1.26 -1.72 119.74 130.98 2dmz s LYS 70 Ca 0.05 -0.31 -0.20 0.00 -2.55 0.00 0.00 55.97 52.96 2dmz s LYS 70 Cb -0.11 -3.54 -0.07 0.00 -1.05 0.00 0.00 37.83 33.06 2dmz s LYS 70 CO 0.00 -0.03 0.60 0.42 1.55 0.00 0.00 175.35 177.89 2dmz s ILE 71 N 1.32 4.69 0.00 5.43 1.01 0.52 -2.20 121.20 131.97 2dmz s ILE 71 Ca 0.07 1.27 0.00 0.00 0.00 0.00 0.00 60.65 61.98 2dmz s ILE 71 Cb -0.14 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.40 2dmz s ILE 71 CO 0.06 0.53 0.00 1.33 0.00 0.00 0.00 174.94 176.86 2dmz n VAL 72 N 1.64 0.00 -3.78 2.92 0.24 -0.58 -4.44 118.33 114.32 2dmz n VAL 72 Ca -0.09 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.08 2dmz n VAL 72 Cb 0.50 -0.83 -0.09 0.00 -1.47 0.00 0.00 33.84 31.96 2dmz n VAL 72 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2dmz s ALA 73 N -1.99 -0.68 -0.19 2.33 0.00 -1.19 -2.28 121.76 117.76 2dmz s ALA 73 Ca 0.00 0.22 -0.03 0.00 0.00 0.00 0.00 51.96 52.15 2dmz s ALA 73 Cb 0.00 0.09 0.06 0.00 0.00 0.00 0.00 23.12 23.27 2dmz s ALA 73 CO 0.00 -0.25 0.04 0.08 0.00 0.00 0.00 175.76 175.62 2dmz s VAL 74 N -1.38 0.51 -1.11 0.00 1.01 -0.44 -0.14 120.40 118.85 2dmz s VAL 74 Ca -0.14 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.31 2dmz s VAL 74 Cb -0.06 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.31 2dmz s VAL 74 CO 0.03 -0.20 0.00 -0.67 0.00 0.00 0.00 175.10 174.26 2dmz n ASP 75 N 5.06 -4.05 0.00 3.32 2.03 0.78 -2.05 116.55 121.65 2dmz n ASP 75 Ca -0.09 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.23 2dmz n ASP 75 Cb 0.47 -3.21 0.00 0.00 -0.72 0.00 0.00 41.12 37.66 2dmz n ASP 75 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dmz n GLY 76 N -1.04 0.81 3.53 0.27 0.00 -1.26 -4.94 105.19 102.56 2dmz n GLY 76 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 2dmz n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dmz s VAL 77 N -3.21 5.16 -0.52 1.61 1.01 -0.87 -5.02 120.40 118.57 2dmz s VAL 77 Ca 0.00 -0.09 -0.27 0.00 0.00 0.00 0.00 61.98 61.62 2dmz s VAL 77 Cb 0.00 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 2dmz s VAL 77 CO 0.00 -0.17 2.03 0.21 0.00 0.00 0.00 175.10 177.17 2dmz s ASN 78 N 1.74 5.13 -0.06 3.32 3.84 -1.26 -1.33 114.94 126.32 2dmz s ASN 78 Ca 0.11 0.77 0.16 0.00 0.21 0.00 0.00 52.86 54.11 2dmz s ASN 78 Cb -0.17 -2.52 0.56 0.00 -0.55 0.00 0.00 41.25 38.58 2dmz s ASN 78 CO 0.12 -2.41 1.45 2.30 -2.79 0.00 0.00 177.10 175.77 2dmz n ILE 79 N 7.50 1.26 -1.20 -5.21 -5.35 -0.97 -4.83 119.36 110.56 2dmz n ILE 79 Ca 0.26 -0.89 -0.25 0.00 -0.27 0.00 0.00 62.75 61.59 2dmz n ILE 79 Cb 0.52 0.15 -0.12 0.00 -1.74 0.00 0.00 39.64 38.45 2dmz n ILE 79 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2dmz n GLN 80 N 0.97 0.08 0.00 6.28 1.13 -1.16 -0.45 117.38 124.24 2dmz n GLN 80 Ca 0.20 -1.47 0.00 0.00 -1.94 0.00 0.00 57.00 53.80 2dmz n GLN 80 Cb 0.67 -3.43 0.00 0.00 0.11 0.00 0.00 30.24 27.59 2dmz n GLN 80 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2dmz n GLY 81 N 5.72 0.80 3.85 1.08 0.00 -1.26 -5.14 105.19 110.24 2dmz n GLY 81 Ca 0.43 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.11 2dmz n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dmz s PHE 82 N -1.11 3.54 0.40 1.61 0.40 0.40 -5.06 117.98 118.16 2dmz s PHE 82 Ca 0.00 1.10 -0.24 0.00 -0.60 0.00 0.00 56.93 57.19 2dmz s PHE 82 Cb 0.00 -2.41 -0.09 0.00 0.51 0.00 0.00 43.02 41.03 2dmz s PHE 82 CO 0.00 0.33 1.01 0.00 0.70 0.00 0.00 175.22 177.26 2dmz s ALA 83 N -1.62 3.08 0.23 5.36 0.00 -1.26 -4.77 121.76 122.78 2dmz s ALA 83 Ca 0.43 0.61 -0.01 0.00 0.00 0.00 0.00 51.96 52.99 2dmz s ALA 83 Cb -0.14 -3.23 0.52 0.00 0.00 0.00 0.00 23.12 20.27 2dmz s ALA 83 CO 0.20 -0.09 1.19 0.09 0.00 0.00 0.00 175.76 177.15 2dmz n ASN 84 N -0.12 -0.14 -0.08 0.00 4.13 -1.26 0.17 115.26 117.96 2dmz n ASN 84 Ca 0.05 1.30 -0.13 0.00 1.68 0.00 0.00 54.58 57.48 2dmz n ASN 84 Cb 0.51 -0.45 -0.05 0.00 -1.54 0.00 0.00 39.78 38.25 2dmz n ASN 84 CO 0.00 0.00 0.00 1.12 0.28 0.00 0.00 177.26 178.66 2dmz h HIS 85 N 0.00 0.67 -0.11 3.10 2.07 -2.00 -2.13 115.15 116.75 2dmz h HIS 85 Ca 0.44 -0.19 0.03 0.00 -2.85 0.00 0.00 60.37 57.80 2dmz h HIS 85 Cb 0.84 -0.15 -0.00 0.00 2.57 0.00 0.00 27.41 30.67 2dmz h HIS 85 CO -0.44 0.86 0.11 -0.44 -3.07 0.00 0.00 177.93 174.95 2dmz h ASP 86 N 0.28 0.00 0.64 3.10 5.19 0.14 -0.99 116.42 124.78 2dmz h ASP 86 Ca 0.05 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 56.19 2dmz h ASP 86 Cb 0.72 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.21 2dmz h ASP 86 CO 0.05 0.00 -1.39 0.58 -3.12 0.00 0.00 179.24 175.36 2dmz h VAL 87 N 0.00 1.28 -0.20 -1.35 2.07 -0.55 -3.28 116.25 114.22 2dmz h VAL 87 Ca 0.05 -2.98 -0.00 0.00 0.82 0.00 0.00 66.70 64.59 2dmz h VAL 87 Cb 0.27 2.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 2dmz h VAL 87 CO -0.00 0.80 0.12 0.58 0.02 0.00 0.00 177.57 179.09 2dmz h VAL 88 N 0.03 1.08 -0.32 2.57 2.07 -0.51 -2.37 116.25 118.81 2dmz h VAL 88 Ca -0.18 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 2dmz h VAL 88 Cb 1.94 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 32.55 2dmz h VAL 88 CO 0.14 0.08 0.14 1.05 0.02 0.00 0.00 177.57 178.99 2dmz h GLU 89 N 0.24 0.45 -0.43 1.57 4.11 -1.61 -2.44 114.58 116.47 2dmz h GLU 89 Ca 0.07 -0.05 -0.02 0.00 0.07 0.00 0.00 59.36 59.44 2dmz h GLU 89 Cb 0.02 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2dmz h GLU 89 CO -0.01 0.37 0.21 0.28 0.07 0.00 0.00 179.01 179.93 2dmz h VAL 90 N 0.45 1.18 -0.44 -1.06 2.07 -1.49 -0.31 116.25 116.64 2dmz h VAL 90 Ca 0.11 -0.50 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 2dmz h VAL 90 Cb 0.08 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2dmz h VAL 90 CO -0.01 0.19 0.16 -0.07 0.02 0.00 0.00 177.57 177.86 2dmz h LEU 91 N 0.56 0.62 -0.62 2.57 3.38 -1.05 -1.95 115.31 118.83 2dmz h LEU 91 Ca 0.15 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 2dmz h LEU 91 Cb 0.11 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2dmz h LEU 91 CO -0.02 0.64 0.26 0.03 0.09 0.00 0.00 178.44 179.45 2dmz h ARG 92 N 0.57 0.91 -0.09 1.13 3.08 -1.28 -2.39 114.38 116.31 2dmz h ARG 92 Ca 0.14 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2dmz h ARG 92 Cb 0.23 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2dmz h ARG 92 CO -0.01 0.76 -0.11 -0.91 -1.07 0.00 0.00 179.97 178.63 2dmz h ASN 93 N 0.86 0.12 -3.94 7.04 2.35 -0.87 -3.43 115.58 117.71 2dmz h ASN 93 Ca 0.21 -0.02 -0.55 0.00 -0.55 0.00 0.00 56.30 55.38 2dmz h ASN 93 Cb 0.17 -0.03 0.14 0.00 0.05 0.00 0.00 38.32 38.65 2dmz h ASN 93 CO -0.02 0.26 0.58 0.00 -1.65 0.00 0.00 177.43 176.60 2dmz n ALA 94 N -2.50 1.56 -1.65 -0.83 0.00 -0.75 -5.02 120.51 111.31 2dmz n ALA 94 Ca -0.01 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.58 2dmz n ALA 94 Cb 0.23 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.33 2dmz n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dmz n GLY 95 N 0.76 1.14 0.42 0.00 0.00 -1.26 -5.00 105.19 101.25 2dmz n GLY 95 Ca 0.09 -1.86 -0.15 0.00 0.00 0.00 0.00 46.02 44.11 2dmz n GLY 95 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2dmz h GLN 96 N 0.00 -0.72 -6.08 1.61 4.15 -1.91 -3.36 115.11 108.81 2dmz h GLN 96 Ca 0.00 0.05 -0.50 0.00 0.77 0.00 0.00 58.65 58.97 2dmz h GLN 96 Cb 0.00 0.16 -0.05 0.00 0.21 0.00 0.00 27.48 27.80 2dmz h GLN 96 CO 0.00 -0.48 1.24 0.08 -1.93 0.00 0.00 178.83 177.74 2dmz s VAL 97 N -5.38 3.48 -0.31 2.39 1.01 -1.26 -3.58 120.40 116.74 2dmz s VAL 97 Ca -0.15 0.20 -0.08 0.00 0.00 0.00 0.00 61.98 61.96 2dmz s VAL 97 Cb 0.04 -4.26 0.01 0.00 0.00 0.00 0.00 36.38 32.18 2dmz s VAL 97 CO 0.51 -1.21 0.12 -0.69 0.00 0.00 0.00 175.10 173.83 2dmz s VAL 98 N 8.07 4.17 -0.66 2.92 1.01 -0.94 -4.93 120.40 130.03 2dmz s VAL 98 Ca 0.57 -0.71 -0.17 0.00 0.00 0.00 0.00 61.98 61.68 2dmz s VAL 98 Cb -0.11 -3.19 0.14 0.00 0.00 0.00 0.00 36.38 33.22 2dmz s VAL 98 CO 0.17 0.00 0.71 -1.00 0.00 0.00 0.00 175.10 174.98 2dmz s HIS 99 N 1.52 3.25 -0.12 5.22 3.76 -1.24 -0.45 115.29 127.22 2dmz s HIS 99 Ca 0.02 -1.32 -0.25 0.00 -0.15 0.00 0.00 55.06 53.36 2dmz s HIS 99 Cb -0.18 -3.94 -0.02 0.00 1.11 0.00 0.00 32.58 29.55 2dmz s HIS 99 CO 0.04 -1.17 0.78 -1.17 -0.85 0.00 0.00 174.74 172.36 2dmz s LEU 100 N 1.83 4.24 -0.33 0.89 1.98 0.58 -0.15 118.68 127.71 2dmz s LEU 100 Ca 0.13 1.18 -0.12 0.00 -2.89 0.00 0.00 54.13 52.43 2dmz s LEU 100 Cb -0.21 -3.17 -0.02 0.00 0.66 0.00 0.00 46.19 43.45 2dmz s LEU 100 CO 0.00 -0.27 0.22 -0.89 -1.89 0.00 0.00 176.35 173.52 2dmz s THR 101 N 1.55 5.16 0.16 3.68 2.01 0.80 -0.49 115.64 128.52 2dmz s THR 101 Ca 0.38 -0.23 0.08 0.00 0.31 0.00 0.00 61.69 62.23 2dmz s THR 101 Cb -0.17 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 2dmz s THR 101 CO 0.15 0.02 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.17 2dmz s LEU 102 N 1.71 2.44 -0.20 4.42 1.02 -0.81 -1.53 118.68 125.72 2dmz s LEU 102 Ca 0.06 -0.86 -0.00 0.00 0.02 0.00 0.00 54.13 53.34 2dmz s LEU 102 Cb -0.17 -0.78 0.05 0.00 0.02 0.00 0.00 46.19 45.31 2dmz s LEU 102 CO 0.10 -0.06 -0.05 0.54 0.02 0.00 0.00 176.35 176.90 2dmz s VAL 103 N -2.11 1.28 -0.02 -1.59 0.11 -0.93 -0.95 120.40 116.18 2dmz s VAL 103 Ca 0.15 -0.89 0.01 0.00 -2.93 0.00 0.00 61.98 58.32 2dmz s VAL 103 Cb -0.05 -1.50 -0.04 0.00 -1.53 0.00 0.00 36.38 33.26 2dmz s VAL 103 CO 0.06 0.02 0.01 0.00 -3.33 0.00 0.00 175.10 171.86 2dmz s ARG 104 N 1.54 2.84 0.29 1.54 1.70 -0.22 -4.32 118.95 122.32 2dmz s ARG 104 Ca -0.02 -0.56 -0.29 0.00 -0.47 0.00 0.00 55.73 54.39 2dmz s ARG 104 Cb -0.17 -2.71 -0.10 0.00 -0.57 0.00 0.00 34.95 31.41 2dmz s ARG 104 CO -0.07 0.64 1.37 0.50 -1.08 0.00 0.00 175.30 176.66 2dmz s ARG 105 N -1.43 4.31 0.60 3.89 3.00 -1.26 -0.30 118.95 127.76 2dmz s ARG 105 Ca 0.18 2.25 -0.10 0.00 -1.00 0.00 0.00 55.73 57.06 2dmz s ARG 105 Cb -0.11 -3.09 0.14 0.00 0.00 0.00 0.00 34.95 31.88 2dmz s ARG 105 CO 0.09 -0.30 0.81 1.63 0.00 0.00 0.00 175.30 177.53 2dmz n LYS 106 N 1.55 -0.79 -2.33 5.12 5.02 -0.17 -4.85 118.16 121.71 2dmz n LYS 106 Ca 0.03 -1.27 -0.26 0.00 -2.02 0.00 0.00 58.31 54.80 2dmz n LYS 106 Cb 0.41 -0.84 0.05 0.00 -0.02 0.00 0.00 35.03 34.64 2dmz n LYS 106 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2dmz s THR 107 N -2.77 2.85 0.32 -0.18 -4.23 -1.26 -4.95 115.64 105.41 2dmz s THR 107 Ca 0.46 -0.21 0.06 0.00 -1.18 0.00 0.00 61.69 60.81 2dmz s THR 107 Cb -0.01 -3.18 0.38 0.00 1.34 0.00 0.00 72.50 71.03 2dmz s THR 107 CO 0.32 -0.18 1.59 0.28 -0.54 0.00 0.00 174.62 176.10 2dmz h SER 108 N -0.36 -0.21 -3.75 3.99 0.02 -1.98 -3.38 113.55 107.89 2dmz h SER 108 Ca -0.45 0.26 -0.52 0.00 -0.84 0.00 0.00 61.79 60.25 2dmz h SER 108 Cb 1.29 0.39 0.04 0.00 0.14 0.00 0.00 62.40 64.26 2dmz h SER 108 CO 0.60 -0.33 0.58 -0.94 -1.14 0.00 0.00 176.83 175.60 2dmz s SER 109 N -4.93 6.99 -0.16 3.07 1.04 -1.26 -5.03 113.70 113.42 2dmz s SER 109 Ca -0.12 2.47 -0.08 0.00 0.48 0.00 0.00 55.95 58.70 2dmz s SER 109 Cb 0.29 -2.63 0.06 0.00 0.10 0.00 0.00 66.02 63.84 2dmz s SER 109 CO 0.78 -0.38 0.36 -0.44 0.98 0.00 0.00 173.24 174.53 2dmz s SER 110 N -0.45 -0.34 0.36 7.02 0.01 -1.26 -5.02 113.70 114.02 2dmz s SER 110 Ca 0.49 0.80 -0.28 0.00 1.31 0.00 0.00 55.95 58.26 2dmz s SER 110 Cb -0.36 0.77 -0.11 0.00 0.21 0.00 0.00 66.02 66.52 2dmz s SER 110 CO 0.45 -0.20 1.44 0.41 0.41 0.00 0.00 173.24 175.75 2dmz n THR 111 N 4.52 1.93 -2.51 1.44 -1.04 -1.26 -4.92 114.28 112.44 2dmz n THR 111 Ca -0.20 -0.48 -0.43 0.00 -2.04 0.00 0.00 64.05 60.90 2dmz n THR 111 Cb 0.53 -1.85 -0.02 0.00 -1.82 0.00 0.00 70.33 67.17 2dmz n THR 111 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2dmz s SER 112 N -0.14 6.80 1.21 8.00 0.01 -1.26 -5.01 113.70 123.31 2dmz s SER 112 Ca 0.55 1.17 -0.19 0.00 1.31 0.00 0.00 55.95 58.79 2dmz s SER 112 Cb -0.51 -2.54 0.29 0.00 0.21 0.00 0.00 66.02 63.47 2dmz s SER 112 CO 0.62 -0.98 1.11 -2.16 0.41 0.00 0.00 173.24 172.25 2dmz s PRO 113 N 3.92 -1.28 -0.24 12.44 0.04 -1.26 -4.83 135.00 143.78 2dmz s PRO 113 Ca 0.52 -0.09 -0.14 0.00 0.04 0.00 0.00 61.00 61.32 2dmz s PRO 113 Cb -0.15 -1.59 -0.16 0.00 0.04 0.00 0.00 34.50 32.63 2dmz s PRO 113 CO 0.19 -3.75 -0.07 1.28 0.04 0.00 0.00 177.00 174.69 2dmz n LEU 114 N -4.78 2.09 -3.26 -3.56 4.32 -1.26 -4.75 117.00 105.80 2dmz n LEU 114 Ca 0.13 0.31 -0.25 0.00 -0.02 0.00 0.00 56.01 56.19 2dmz n LEU 114 Cb 0.60 -0.91 -0.07 0.00 -1.62 0.00 0.00 43.42 41.42 2dmz n LEU 114 CO 0.45 0.53 -0.15 -0.62 -1.22 0.00 0.00 177.39 176.38 2dmz n GLU 115 N -4.15 1.44 -1.93 3.23 1.02 -1.26 -5.11 120.64 113.88 2dmz n GLU 115 Ca -0.44 -3.78 -0.34 0.00 -0.02 0.00 0.00 57.16 52.58 2dmz n GLU 115 Cb 0.84 -1.63 0.03 0.00 -0.02 0.00 0.00 31.44 30.66 2dmz n GLU 115 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2dmz s PRO 116 N -1.79 2.99 1.07 3.49 0.04 -1.26 -5.04 135.00 134.50 2dmz s PRO 116 Ca 0.38 1.47 -0.15 0.00 0.04 0.00 0.00 61.00 62.74 2dmz s PRO 116 Cb 0.18 -1.97 0.23 0.00 0.04 0.00 0.00 34.50 32.98 2dmz s PRO 116 CO -0.08 -1.11 1.10 -1.25 0.04 0.00 0.00 177.00 175.70 2dmz s PRO 117 N -3.82 -0.19 -0.17 0.56 0.04 -1.26 -5.07 135.00 125.09 2dmz s PRO 117 Ca 0.69 0.31 -0.04 0.00 0.04 0.00 0.00 61.00 62.00 2dmz s PRO 117 Cb -0.22 -1.68 0.07 0.00 0.04 0.00 0.00 34.50 32.71 2dmz s PRO 117 CO 0.37 -3.10 0.14 0.45 0.04 0.00 0.00 177.00 174.90 2dmz s SER 118 N -3.58 1.77 -0.14 6.66 0.15 -1.26 -4.92 113.70 112.38 2dmz s SER 118 Ca 0.67 -0.34 -0.31 0.00 0.70 0.00 0.00 55.95 56.68 2dmz s SER 118 Cb -0.16 0.04 0.13 0.00 -1.71 0.00 0.00 66.02 64.32 2dmz s SER 118 CO 0.57 -0.33 1.04 1.51 1.20 0.00 0.00 173.24 177.24 2dmz s ASP 119 N 2.22 -0.29 -0.11 5.45 1.47 -1.26 -5.19 116.67 118.97 2dmz s ASP 119 Ca 0.04 0.20 -0.32 0.00 1.18 0.00 0.00 52.55 53.65 2dmz s ASP 119 Cb -0.15 0.27 0.12 0.00 -0.34 0.00 0.00 42.92 42.82 2dmz s ASP 119 CO -0.09 -0.36 1.05 0.00 0.68 0.00 0.00 175.17 176.44 2dmz s ARG 120 N -1.82 0.56 0.00 2.11 3.03 -1.26 -5.11 118.95 116.46 2dmz s ARG 120 Ca 0.03 -0.17 0.00 0.00 2.03 0.00 0.00 55.73 57.62 2dmz s ARG 120 Cb -0.01 0.26 0.00 0.00 -1.03 0.00 0.00 34.95 34.17 2dmz s ARG 120 CO -0.03 -0.24 0.00 0.41 -1.13 0.00 0.00 175.30 174.31 2dmz n GLY 121 N -0.06 0.31 3.44 3.88 0.00 -1.26 -5.11 105.19 106.39 2dmz n GLY 121 Ca -0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 2dmz n GLY 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dmz s THR 122 N 0.58 2.47 -0.32 2.61 -4.23 -1.26 -5.05 115.64 110.43 2dmz s THR 122 Ca 0.00 -1.97 0.07 0.00 -1.18 0.00 0.00 61.69 58.61 2dmz s THR 122 Cb 0.00 -2.19 0.45 0.00 1.34 0.00 0.00 72.50 72.11 2dmz s THR 122 CO 0.00 -0.11 1.17 0.55 -0.54 0.00 0.00 174.62 175.70 2dmz n VAL 123 N 0.26 2.47 -0.02 2.29 3.14 -1.26 -4.87 118.33 120.35 2dmz n VAL 123 Ca -0.12 -4.33 -0.14 0.00 -2.96 0.00 0.00 64.34 56.79 2dmz n VAL 123 Cb 0.56 -1.12 -0.09 0.00 -1.06 0.00 0.00 33.84 32.13 2dmz n VAL 123 CO 0.00 0.00 0.00 -1.28 -6.46 0.00 0.00 176.83 169.09 2dmz h SER 124 N 2.26 -1.61 0.00 6.55 0.87 -2.08 -3.48 113.55 116.07 2dmz h SER 124 Ca 0.35 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 61.11 2dmz h SER 124 Cb 1.42 0.64 0.00 0.00 -0.44 0.00 0.00 62.40 64.02 2dmz h SER 124 CO 0.77 -0.46 0.00 0.61 -0.53 0.00 0.00 176.83 177.21 2dmz n GLY 125 N -1.43 2.93 3.64 5.77 0.00 -1.26 -5.12 105.19 109.72 2dmz n GLY 125 Ca -0.05 -1.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.51 2dmz n GLY 125 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dmz s PRO 126 N -4.71 -0.30 -0.26 1.61 0.04 -1.26 -5.08 135.00 125.04 2dmz s PRO 126 Ca 0.00 0.26 -0.08 0.00 0.04 0.00 0.00 61.00 61.23 2dmz s PRO 126 Cb 0.00 -1.67 0.12 0.00 0.04 0.00 0.00 34.50 32.99 2dmz s PRO 126 CO 0.00 -3.17 0.54 -1.54 0.04 0.00 0.00 177.00 172.87 2dmz s SER 127 N -3.63 -0.74 -0.10 6.66 1.04 -1.26 -5.16 113.70 110.51 2dmz s SER 127 Ca 0.68 1.22 -0.30 0.00 0.48 0.00 0.00 55.95 58.03 2dmz s SER 127 Cb -0.15 1.86 0.09 0.00 0.10 0.00 0.00 66.02 67.92 2dmz s SER 127 CO 0.57 -0.23 0.78 -0.55 0.98 0.00 0.00 173.24 174.79 2dmz s SER 128 N 2.77 -0.58 0.00 7.02 0.15 -1.26 -5.36 113.70 116.43 2dmz s SER 128 Ca -0.01 0.68 0.00 0.00 0.70 0.00 0.00 55.95 57.31 2dmz s SER 128 Cb -0.12 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 2dmz s SER 128 CO -0.17 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.38