#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 -0.20 -5.49 1.61 0.87 -2.10 -3.48 113.55 104.76 2dmz h SER 2 Ca 0.00 -0.29 -0.36 0.00 -1.23 0.00 0.00 61.79 59.91 2dmz h SER 2 Cb 0.00 0.05 0.14 0.00 -0.44 0.00 0.00 62.40 62.15 2dmz h SER 2 CO 0.00 0.36 -0.65 -1.20 -0.53 0.00 0.00 176.83 174.81 2dmz n SER 3 N -4.92 -5.25 0.00 6.23 7.64 -1.26 -4.93 113.62 111.13 2dmz n SER 3 Ca -0.07 -0.52 0.00 0.00 1.01 0.00 0.00 58.87 59.29 2dmz n SER 3 Cb 0.24 -4.75 0.00 0.00 -1.01 0.00 0.00 64.21 58.69 2dmz n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmz n GLY 4 N -1.75 3.62 3.67 0.23 0.00 -1.26 -5.19 105.19 104.50 2dmz n GLY 4 Ca -0.05 -0.42 -0.09 0.00 0.00 0.00 0.00 46.02 45.46 2dmz n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmz s SER 5 N 1.11 -0.03 0.13 1.61 0.01 -1.26 -5.15 113.70 110.11 2dmz s SER 5 Ca 0.00 -0.92 -0.26 0.00 1.31 0.00 0.00 55.95 56.08 2dmz s SER 5 Cb 0.00 0.66 0.07 0.00 0.21 0.00 0.00 66.02 66.96 2dmz s SER 5 CO 0.00 -1.26 1.01 -0.55 0.41 0.00 0.00 173.24 172.85 2dmz s SER 6 N -3.02 -0.15 1.00 2.44 0.15 -1.26 -5.14 113.70 107.72 2dmz s SER 6 Ca 0.20 -0.38 -0.18 0.00 0.70 0.00 0.00 55.95 56.29 2dmz s SER 6 Cb -0.02 0.44 -0.08 0.00 -1.71 0.00 0.00 66.02 64.65 2dmz s SER 6 CO 0.10 -0.82 -0.49 0.61 1.20 0.00 0.00 173.24 173.84 2dmz n GLY 7 N -0.49 -3.39 2.74 9.45 0.00 -1.26 -4.93 105.19 107.30 2dmz n GLY 7 Ca -0.06 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.39 1.79 0.89 -0.02 0.00 -1.26 -4.31 107.32 103.02 2dmz s GLY 8 Ca 0.46 -2.71 -0.13 0.00 0.00 0.00 0.00 44.72 42.34 2dmz s GLY 8 CO 0.74 1.48 0.60 -1.14 0.00 0.00 0.00 173.10 174.78 2dmz n SER 9 N 3.41 -1.29 -2.17 1.64 3.41 -1.24 -4.95 113.62 112.43 2dmz n SER 9 Ca 0.09 0.42 -0.22 0.00 -0.26 0.00 0.00 58.87 58.90 2dmz n SER 9 Cb 0.35 -1.27 0.02 0.00 -0.26 0.00 0.00 64.21 63.04 2dmz n SER 9 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2dmz n ASP 10 N -1.68 4.53 -0.07 4.04 5.68 -1.26 -4.80 116.55 122.99 2dmz n ASP 10 Ca 0.09 -3.57 -0.07 0.00 -0.50 0.00 0.00 54.79 50.74 2dmz n ASP 10 Cb 0.52 -0.37 -0.04 0.00 -1.14 0.00 0.00 41.12 40.09 2dmz n ASP 10 CO 0.00 0.00 0.00 -1.28 -1.33 0.00 0.00 177.20 174.59 2dmz h SER 11 N 2.29 0.00 -3.43 -1.12 0.87 -2.01 -3.41 113.55 106.74 2dmz h SER 11 Ca 0.31 -0.21 -0.77 0.00 -1.23 0.00 0.00 61.79 59.89 2dmz h SER 11 Cb 1.42 0.00 -0.30 0.00 -0.44 0.00 0.00 62.40 63.08 2dmz h SER 11 CO 0.71 0.82 0.32 -1.20 -0.53 0.00 0.00 176.83 176.95 2dmz n SER 12 N -4.64 5.21 -0.10 6.23 7.64 -1.26 -4.85 113.62 121.85 2dmz n SER 12 Ca -0.09 -3.10 -0.05 0.00 1.01 0.00 0.00 58.87 56.64 2dmz n SER 12 Cb 0.27 -1.28 0.15 0.00 -1.01 0.00 0.00 64.21 62.34 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 6.35 0.76-10.50 -3.43 -0.00 -1.93 -3.45 115.31 103.11 2dmz h LEU 13 Ca 0.18 -0.20 -0.46 0.00 -0.00 0.00 0.00 57.88 57.40 2dmz h LEU 13 Cb 0.83 -0.20 0.02 0.00 -0.00 0.00 0.00 40.66 41.31 2dmz h LEU 13 CO 1.00 0.86 -0.21 -0.36 -0.00 0.00 0.00 178.44 179.73 2dmz s PHE 14 N -4.88 2.23 -0.04 1.13 0.40 -1.26 -1.24 117.98 114.31 2dmz s PHE 14 Ca -0.09 -0.55 0.01 0.00 -0.60 0.00 0.00 56.93 55.70 2dmz s PHE 14 Cb 0.14 -2.28 0.02 0.00 0.51 0.00 0.00 43.02 41.41 2dmz s PHE 14 CO 0.82 -0.68 -0.03 -1.83 0.70 0.00 0.00 175.22 174.20 2dmz s GLU 15 N -4.45 0.60 -0.02 0.44 -1.05 -0.35 -4.78 118.70 109.09 2dmz s GLU 15 Ca 0.56 -0.03 -0.14 0.00 -0.15 0.00 0.00 54.97 55.22 2dmz s GLU 15 Cb -0.08 -0.69 -0.05 0.00 -0.44 0.00 0.00 34.13 32.87 2dmz s GLU 15 CO 0.35 -0.10 0.37 0.99 0.95 0.00 0.00 175.26 177.81 2dmz s THR 16 N 0.96 5.10 -0.03 1.83 2.01 -1.26 -2.82 115.64 121.43 2dmz s THR 16 Ca -0.11 0.74 -0.06 0.00 0.31 0.00 0.00 61.69 62.58 2dmz s THR 16 Cb -0.14 -3.66 0.01 0.00 0.01 0.00 0.00 72.50 68.71 2dmz s THR 16 CO -0.01 0.58 0.14 -0.72 -0.69 0.00 0.00 174.62 173.92 2dmz s TYR 17 N -1.05 -0.05 -0.08 4.92 1.13 -0.69 -5.00 117.35 116.53 2dmz s TYR 17 Ca 0.22 0.12 -0.13 0.00 -1.41 0.00 0.00 57.07 55.87 2dmz s TYR 17 Cb -0.16 -0.00 -0.05 0.00 -1.10 0.00 0.00 41.96 40.65 2dmz s TYR 17 CO 0.12 -0.18 0.34 -0.80 -2.51 0.00 0.00 175.55 172.51 2dmz s ASN 18 N -0.67 6.62 -0.20 -0.18 0.02 -1.26 -2.72 114.94 116.55 2dmz s ASN 18 Ca -0.08 0.74 0.01 0.00 -1.02 0.00 0.00 52.86 52.52 2dmz s ASN 18 Cb -0.04 -2.20 0.04 0.00 0.02 0.00 0.00 41.25 39.06 2dmz s ASN 18 CO 0.01 0.25 -0.14 -0.69 0.02 0.00 0.00 177.10 176.55 2dmz s VAL 19 N -0.47 1.89 -0.60 1.60 1.01 -0.08 -4.91 120.40 118.85 2dmz s VAL 19 Ca 0.20 -1.12 -0.21 0.00 0.00 0.00 0.00 61.98 60.85 2dmz s VAL 19 Cb -0.15 -1.88 0.07 0.00 0.00 0.00 0.00 36.38 34.42 2dmz s VAL 19 CO 0.09 0.25 0.84 -0.70 0.00 0.00 0.00 175.10 175.58 2dmz s GLU 20 N 1.30 3.14 -0.02 2.72 -6.30 -1.26 -0.39 118.70 117.89 2dmz s GLU 20 Ca -0.01 -0.85 -0.16 0.00 -2.50 0.00 0.00 54.97 51.45 2dmz s GLU 20 Cb -0.16 -4.18 -0.06 0.00 0.00 0.00 0.00 34.13 29.73 2dmz s GLU 20 CO -0.09 -1.59 0.45 -0.51 0.02 0.00 0.00 175.26 173.54 2dmz s LEU 21 N 3.48 4.44 -0.11 2.70 1.43 -0.46 -4.88 118.68 125.27 2dmz s LEU 21 Ca 0.20 0.97 -0.16 0.00 -1.03 0.00 0.00 54.13 54.11 2dmz s LEU 21 Cb -0.18 -2.65 -0.05 0.00 0.03 0.00 0.00 46.19 43.34 2dmz s LEU 21 CO 0.11 0.24 0.40 0.54 0.23 0.00 0.00 176.35 177.88 2dmz s VAL 22 N -0.69 5.21 -0.45 -1.59 0.11 -1.26 -2.44 120.40 119.28 2dmz s VAL 22 Ca 0.25 0.79 -0.16 0.00 -2.93 0.00 0.00 61.98 59.93 2dmz s VAL 22 Cb -0.17 -3.73 0.05 0.00 -1.53 0.00 0.00 36.38 31.00 2dmz s VAL 22 CO 0.13 0.39 0.40 -0.13 -3.33 0.00 0.00 175.10 172.56 2dmz s ARG 23 N 0.29 3.00 1.17 1.54 1.81 -1.21 -4.70 118.95 120.85 2dmz s ARG 23 Ca 0.22 -1.16 -0.14 0.00 -1.72 0.00 0.00 55.73 52.93 2dmz s ARG 23 Cb -0.15 -4.07 0.25 0.00 -0.45 0.00 0.00 34.95 30.53 2dmz s ARG 23 CO 0.09 -0.96 0.75 1.63 -0.68 0.00 0.00 175.30 176.13 2dmz n LYS 24 N 5.33 -2.31 -1.56 3.54 5.02 -1.26 -4.71 118.16 122.20 2dmz n LYS 24 Ca -0.11 -0.65 -0.13 0.00 -2.02 0.00 0.00 58.31 55.40 2dmz n LYS 24 Cb 0.45 -2.04 -0.09 0.00 -0.02 0.00 0.00 35.03 33.33 2dmz n LYS 24 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2dmz n ASP 25 N -4.13 1.57 -0.39 4.39 8.00 -1.26 -1.81 116.55 122.92 2dmz n ASP 25 Ca 0.02 -1.89 0.00 0.00 0.71 0.00 0.00 54.79 53.63 2dmz n ASP 25 Cb 0.56 -1.68 0.00 0.00 -0.02 0.00 0.00 41.12 39.98 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 6.52 0.77 3.46 0.44 0.00 -1.26 -5.10 105.19 110.02 2dmz n GLY 26 Ca 0.44 -0.33 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.37 1.66 0.10 1.61 0.74 -0.75 -5.14 119.66 115.52 2dmz s GLN 27 Ca 0.00 -1.37 0.02 0.00 0.05 0.00 0.00 55.36 54.06 2dmz s GLN 27 Cb 0.00 -1.97 -0.04 0.00 1.10 0.00 0.00 33.01 32.10 2dmz s GLN 27 CO 0.00 0.43 0.18 -1.12 -0.55 0.00 0.00 175.29 174.24 2dmz s SER 28 N -2.48 6.01 0.11 6.67 0.01 -1.26 -4.67 113.70 118.10 2dmz s SER 28 Ca 0.20 0.11 -0.29 0.00 1.31 0.00 0.00 55.95 57.28 2dmz s SER 28 Cb -0.09 -1.75 -0.10 0.00 0.21 0.00 0.00 66.02 64.29 2dmz s SER 28 CO 0.10 0.12 1.48 0.25 0.41 0.00 0.00 173.24 175.61 2dmz h LEU 29 N 2.78 -1.63 -0.90 2.44 5.85 -1.96 -3.27 115.31 118.63 2dmz h LEU 29 Ca -0.47 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.46 2dmz h LEU 29 Cb 1.18 0.66 0.00 0.00 0.37 0.00 0.00 40.66 42.87 2dmz h LEU 29 CO 0.70 -0.37 0.00 0.61 -0.34 0.00 0.00 178.44 179.03 2dmz n GLY 30 N -1.34 0.60 2.76 3.75 0.00 -1.26 -2.02 105.19 107.69 2dmz n GLY 30 Ca -0.04 -0.28 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.16 0.30 -0.17 -0.61 1.01 -1.26 -2.12 121.20 116.19 2dmz s ILE 31 Ca 0.00 0.15 -0.15 0.00 0.00 0.00 0.00 60.65 60.65 2dmz s ILE 31 Cb 0.00 -0.46 -0.04 0.00 0.01 0.00 0.00 42.46 41.96 2dmz s ILE 31 CO 0.00 0.24 0.35 -0.13 0.00 0.00 0.00 174.94 175.40 2dmz s ARG 32 N 1.90 4.25 0.48 2.79 1.81 -0.07 -4.99 118.95 125.11 2dmz s ARG 32 Ca 0.03 0.18 0.07 0.00 -1.72 0.00 0.00 55.73 54.30 2dmz s ARG 32 Cb -0.12 -3.46 0.01 0.00 -0.45 0.00 0.00 34.95 30.93 2dmz s ARG 32 CO -0.04 0.14 0.46 0.96 -0.68 0.00 0.00 175.30 176.14 2dmz s ILE 33 N 0.74 2.31 -0.06 1.52 -4.36 -1.26 0.17 121.20 120.26 2dmz s ILE 33 Ca 0.19 -1.32 -0.18 0.00 -0.26 0.00 0.00 60.65 59.08 2dmz s ILE 33 Cb -0.14 -2.62 0.04 0.00 1.25 0.00 0.00 42.46 40.98 2dmz s ILE 33 CO 0.06 0.00 0.41 0.54 0.24 0.00 0.00 174.94 176.19 2dmz s VAL 34 N -2.58 0.03 -0.47 8.37 0.11 -0.54 -4.53 120.40 120.78 2dmz s VAL 34 Ca 0.47 -0.27 -0.18 0.00 -2.93 0.00 0.00 61.98 59.07 2dmz s VAL 34 Cb -0.04 -0.68 0.05 0.00 -1.53 0.00 0.00 36.38 34.18 2dmz s VAL 34 CO 0.28 -0.15 0.54 -0.83 -3.33 0.00 0.00 175.10 171.61 2dmz s GLY 35 N -0.91 1.84 0.19 6.54 0.00 -1.26 -2.48 107.32 111.24 2dmz s GLY 35 Ca -0.10 -1.70 -0.17 0.00 0.00 0.00 0.00 44.72 42.75 2dmz s GLY 35 CO 0.04 1.33 0.65 -0.19 0.00 0.00 0.00 173.10 174.94 2dmz s TYR 36 N 2.36 3.63 -0.02 1.90 1.51 0.85 -4.96 117.35 122.63 2dmz s TYR 36 Ca 0.13 1.26 0.04 0.00 -1.01 0.00 0.00 57.07 57.48 2dmz s TYR 36 Cb -0.19 -2.52 -0.05 0.00 -0.11 0.00 0.00 41.96 39.09 2dmz s TYR 36 CO 0.12 0.37 0.05 0.28 -1.11 0.00 0.00 175.55 175.26 2dmz n VAL 37 N 0.76 0.13 -2.22 0.71 0.31 -1.25 -2.68 118.33 114.08 2dmz n VAL 37 Ca -0.04 -0.12 -0.01 0.00 -0.01 0.00 0.00 64.34 64.16 2dmz n VAL 37 Cb 0.51 -0.26 0.00 0.00 -0.91 0.00 0.00 33.84 33.18 2dmz n VAL 37 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2dmz n GLY 38 N 2.53 -3.11 2.10 2.92 0.00 -1.03 -4.48 105.19 104.12 2dmz n GLY 38 Ca -0.03 0.28 -0.26 0.00 0.00 0.00 0.00 46.02 46.01 2dmz n GLY 38 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2dmz n THR 39 N 0.23 2.73 -4.15 2.61 5.66 -1.26 -4.91 114.28 115.19 2dmz n THR 39 Ca 0.02 -4.02 -0.16 0.00 -3.05 0.00 0.00 64.05 56.84 2dmz n THR 39 Cb 0.06 -1.15 -0.05 0.00 -1.55 0.00 0.00 70.33 67.64 2dmz n THR 39 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2dmz n SER 40 N -0.74 -0.94 0.30 1.09 7.64 -1.26 -4.99 113.62 114.72 2dmz n SER 40 Ca 0.47 -2.90 0.09 0.00 1.01 0.00 0.00 58.87 57.55 2dmz n SER 40 Cb 0.90 1.93 0.43 0.00 -1.01 0.00 0.00 64.21 66.46 2dmz n SER 40 CO 0.00 0.00 0.00 1.12 -3.01 0.00 0.00 175.04 173.15 2dmz h HIS 41 N 1.97 0.00 -2.84 1.43 -0.00 -2.06 -3.35 115.15 110.30 2dmz h HIS 41 Ca -0.23 0.00 -0.57 0.00 -0.00 0.00 0.00 60.37 59.56 2dmz h HIS 41 Cb 1.10 0.00 -0.10 0.00 -0.00 0.00 0.00 27.41 28.42 2dmz h HIS 41 CO 0.00 0.00 0.84 0.95 -0.00 0.00 0.00 177.93 179.72 2dmz s THR 42 N -4.08 4.06 -0.03 6.12 -4.23 -1.26 -4.90 115.64 111.32 2dmz s THR 42 Ca -0.02 0.40 -0.26 0.00 -1.18 0.00 0.00 61.69 60.63 2dmz s THR 42 Cb 0.05 -4.74 -0.21 0.00 1.34 0.00 0.00 72.50 68.95 2dmz s THR 42 CO 0.17 -1.47 1.22 1.23 -0.54 0.00 0.00 174.62 175.22 2dmz h GLY 43 N 11.97 0.01 -3.80 3.99 0.00 -1.92 -3.25 103.07 110.06 2dmz h GLY 43 Ca -0.27 -0.01 -0.12 0.00 0.00 0.00 0.00 47.33 46.93 2dmz h GLY 43 CO 1.19 0.01 -0.21 1.18 0.00 0.00 0.00 176.54 178.71 2dmz n GLU 44 N -4.83 1.53 -0.73 4.80 1.02 -1.26 -4.13 120.64 117.04 2dmz n GLU 44 Ca -0.09 -0.63 -0.02 0.00 -0.02 0.00 0.00 57.16 56.40 2dmz n GLU 44 Cb 0.27 -1.68 0.22 0.00 -0.02 0.00 0.00 31.44 30.23 2dmz n GLU 44 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dmz n ALA 45 N 2.25 4.01 -3.45 0.62 0.00 -1.23 -4.96 120.51 117.76 2dmz n ALA 45 Ca 0.27 -2.88 -0.35 0.00 0.00 0.00 0.00 53.44 50.49 2dmz n ALA 45 Cb 0.72 -0.79 -0.14 0.00 0.00 0.00 0.00 19.45 19.24 2dmz n ALA 45 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2dmz s SER 46 N -2.27 4.24 0.00 0.00 0.15 -1.26 -2.48 113.70 112.08 2dmz s SER 46 Ca 0.45 -0.38 0.00 0.00 0.70 0.00 0.00 55.95 56.72 2dmz s SER 46 Cb 0.39 -1.71 0.00 0.00 -1.71 0.00 0.00 66.02 62.99 2dmz s SER 46 CO 0.03 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.10 2dmz n GLY 47 N 4.57 -0.86 3.81 9.45 0.00 -1.09 -4.98 105.19 116.09 2dmz n GLY 47 Ca -0.18 -1.15 -0.36 0.00 0.00 0.00 0.00 46.02 44.33 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 -3.00 5.31 0.02 -0.61 -1.09 -1.26 -0.10 121.20 120.47 2dmz s ILE 48 Ca 0.00 0.14 0.01 0.00 -2.23 0.00 0.00 60.65 58.57 2dmz s ILE 48 Cb 0.00 -3.33 -0.02 0.00 -1.58 0.00 0.00 42.46 37.54 2dmz s ILE 48 CO 0.00 0.58 -0.05 -0.31 -1.23 0.00 0.00 174.94 173.92 2dmz s TYR 49 N -0.67 0.46 -0.55 3.97 1.51 -1.04 -1.93 117.35 119.11 2dmz s TYR 49 Ca 0.13 -0.37 -0.27 0.00 -1.01 0.00 0.00 57.07 55.55 2dmz s TYR 49 Cb -0.12 -0.29 -0.02 0.00 -0.11 0.00 0.00 41.96 41.42 2dmz s TYR 49 CO 0.02 -0.08 1.86 0.08 -1.11 0.00 0.00 175.55 176.32 2dmz s VAL 50 N -1.00 3.37 0.11 0.71 1.01 -0.99 -1.47 120.40 122.15 2dmz s VAL 50 Ca -0.08 0.26 -0.15 0.00 0.00 0.00 0.00 61.98 62.02 2dmz s VAL 50 Cb -0.07 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 2dmz s VAL 50 CO -0.00 -0.78 1.49 0.50 0.00 0.00 0.00 175.10 176.31 2dmz h LYS 51 N 14.71 0.72 -2.96 2.72 1.63 -0.51 -3.25 116.57 129.62 2dmz h LYS 51 Ca -0.27 -0.30 0.07 0.00 -0.85 0.00 0.00 60.65 59.30 2dmz h LYS 51 Cb 1.17 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.72 2dmz h LYS 51 CO 1.18 0.90 0.25 -1.12 -3.45 0.00 0.00 179.45 177.21 2dmz s SER 52 N -6.39 -0.24 -0.25 4.20 0.01 -1.16 -4.90 113.70 104.96 2dmz s SER 52 Ca -0.13 -0.63 -0.02 0.00 1.31 0.00 0.00 55.95 56.49 2dmz s SER 52 Cb 0.09 0.72 0.08 0.00 0.21 0.00 0.00 66.02 67.13 2dmz s SER 52 CO 0.81 -1.34 0.05 -0.69 0.41 0.00 0.00 173.24 172.48 2dmz s VAL 53 N -3.79 0.77 0.13 3.43 1.01 -1.26 -0.89 120.40 119.80 2dmz s VAL 53 Ca 0.11 -1.00 -0.35 0.00 0.00 0.00 0.00 61.98 60.74 2dmz s VAL 53 Cb -0.06 -1.39 -0.15 0.00 0.00 0.00 0.00 36.38 34.78 2dmz s VAL 53 CO 0.07 -0.41 1.44 -0.38 0.00 0.00 0.00 175.10 175.81 2dmz n ILE 54 N 4.93 0.09 -1.66 2.22 -0.00 -0.90 -4.90 119.36 119.13 2dmz n ILE 54 Ca -0.06 -0.02 -0.33 0.00 -0.00 0.00 0.00 62.75 62.34 2dmz n ILE 54 Cb 0.44 -1.16 0.06 0.00 -0.00 0.00 0.00 39.64 38.98 2dmz n ILE 54 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 2dmz s PRO 55 N 0.58 2.69 -1.74 0.38 0.04 -1.26 -3.45 135.00 132.25 2dmz s PRO 55 Ca 0.81 1.35 0.00 0.00 0.04 0.00 0.00 61.00 63.19 2dmz s PRO 55 Cb -0.82 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 31.78 2dmz s PRO 55 CO 0.43 -1.33 0.00 0.41 0.04 0.00 0.00 177.00 176.55 2dmz n GLY 56 N -0.66 -0.17 3.73 0.56 0.00 -1.26 -4.97 105.19 102.42 2dmz n GLY 56 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.13 4.33 0.17 1.61 1.04 -1.22 -4.95 113.70 112.54 2dmz s SER 57 Ca 0.00 -1.17 -0.19 0.00 0.48 0.00 0.00 55.95 55.07 2dmz s SER 57 Cb 0.00 -0.37 0.09 0.00 0.10 0.00 0.00 66.02 65.84 2dmz s SER 57 CO 0.00 -0.57 1.63 0.00 0.98 0.00 0.00 173.24 175.28 2dmz h ALA 58 N 1.45 0.08 0.25 5.32 0.00 -1.52 0.17 119.26 125.00 2dmz h ALA 58 Ca -0.43 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2dmz h ALA 58 Cb 1.26 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 2dmz h ALA 58 CO 0.71 -0.57 -0.20 0.00 0.00 0.00 0.00 179.25 179.20 2dmz h ALA 59 N 1.12 -0.44 -0.22 0.00 0.00 -1.67 -1.07 119.26 116.98 2dmz h ALA 59 Ca 0.19 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.08 2dmz h ALA 59 Cb 0.42 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 2dmz h ALA 59 CO -0.47 -0.77 -0.17 -0.92 0.00 0.00 0.00 179.25 176.93 2dmz h TYR 60 N -0.46 -0.42 -0.09 0.00 3.20 -1.61 -1.54 116.97 116.05 2dmz h TYR 60 Ca -0.02 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.92 2dmz h TYR 60 Cb 0.41 0.22 -0.05 0.00 1.54 0.00 0.00 36.73 38.85 2dmz h TYR 60 CO -0.12 -0.24 -0.21 0.45 -1.64 0.00 0.00 178.16 176.39 2dmz h HIS 61 N -0.17 -0.56 -0.27 -3.82 3.86 -0.53 -2.66 115.15 111.00 2dmz h HIS 61 Ca 0.13 0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.43 2dmz h HIS 61 Cb 0.36 0.26 -0.08 0.00 1.06 0.00 0.00 27.41 29.01 2dmz h HIS 61 CO -0.32 -0.30 -0.33 -0.97 0.86 0.00 0.00 177.93 176.88 2dmz h ASN 62 N -0.29 -1.05 -0.30 2.45 -1.24 -0.72 -3.47 115.58 110.96 2dmz h ASN 62 Ca 0.09 0.17 0.00 0.00 0.71 0.00 0.00 56.30 57.27 2dmz h ASN 62 Cb 0.42 0.47 0.00 0.00 0.73 0.00 0.00 38.32 39.94 2dmz h ASN 62 CO -0.26 -0.34 0.00 0.61 -1.29 0.00 0.00 177.43 176.15 2dmz n GLY 63 N -1.41 0.72 0.01 1.57 0.00 -0.62 -4.97 105.19 100.49 2dmz n GLY 63 Ca -0.01 -0.70 -0.01 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.09 0.00 -3.35 1.61 8.25 -1.26 -5.01 115.22 112.37 2dmz n HIS 64 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 2dmz n HIS 64 Cb 0.43 -0.07 -0.07 0.00 1.12 0.00 0.00 29.99 31.40 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 -2.03 5.18 0.17 1.59 1.01 -1.26 -5.06 121.20 120.79 2dmz s ILE 65 Ca -0.02 0.79 -0.04 0.00 0.00 0.00 0.00 60.65 61.38 2dmz s ILE 65 Cb 0.01 -3.76 -0.03 0.00 0.01 0.00 0.00 42.46 38.69 2dmz s ILE 65 CO 0.04 0.25 0.18 -1.10 0.00 0.00 0.00 174.94 174.31 2dmz s GLN 66 N 1.24 1.13 1.20 2.79 1.11 -1.26 -4.79 119.66 121.08 2dmz s GLN 66 Ca 0.21 -1.41 -0.16 0.00 0.01 0.00 0.00 55.36 54.01 2dmz s GLN 66 Cb -0.15 0.31 0.25 0.00 -1.01 0.00 0.00 33.01 32.41 2dmz s GLN 66 CO 0.08 -0.38 0.62 1.33 0.01 0.00 0.00 175.29 176.96 2dmz n VAL 67 N -0.20 0.00 -3.34 1.09 0.24 -1.26 -3.93 118.33 110.92 2dmz n VAL 67 Ca -0.03 -0.35 -0.18 0.00 -2.04 0.00 0.00 64.34 61.73 2dmz n VAL 67 Cb 0.64 -0.84 0.06 0.00 -1.47 0.00 0.00 33.84 32.23 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 -3.85 -5.30 -4.19 -1.34 3.02 -1.23 -4.96 115.26 97.41 2dmz n ASN 68 Ca 0.03 -0.42 -0.14 0.00 -0.03 0.00 0.00 54.58 54.03 2dmz n ASN 68 Cb 0.56 -3.98 -0.10 0.00 -0.61 0.00 0.00 39.78 35.65 2dmz n ASN 68 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2dmz s ASP 69 N -3.26 1.44 -0.26 6.41 -1.08 -1.25 -4.96 116.67 113.71 2dmz s ASP 69 Ca 0.44 -0.88 -0.01 0.00 -0.52 0.00 0.00 52.55 51.58 2dmz s ASP 69 Cb -0.19 0.02 0.04 0.00 -1.46 0.00 0.00 42.92 41.32 2dmz s ASP 69 CO 0.56 -0.32 -0.06 -0.75 0.52 0.00 0.00 175.17 175.12 2dmz s LYS 70 N -3.16 2.65 -0.22 4.34 2.20 -1.24 -2.34 119.74 121.96 2dmz s LYS 70 Ca 0.09 -1.10 -0.26 0.00 -0.36 0.00 0.00 55.97 54.34 2dmz s LYS 70 Cb -0.00 -2.99 -0.00 0.00 -1.51 0.00 0.00 37.83 33.33 2dmz s LYS 70 CO -0.01 -0.47 0.87 0.42 -0.36 0.00 0.00 175.35 175.80 2dmz s ILE 71 N 1.27 4.82 -0.13 5.43 1.09 -0.81 -1.94 121.20 130.93 2dmz s ILE 71 Ca -0.02 1.68 0.13 0.00 -1.10 0.00 0.00 60.65 61.34 2dmz s ILE 71 Cb -0.18 -4.16 -0.19 0.00 -1.06 0.00 0.00 42.46 36.88 2dmz s ILE 71 CO -0.04 -0.06 0.08 1.33 -0.10 0.00 0.00 174.94 176.14 2dmz n VAL 72 N 5.12 0.91 -3.80 2.92 0.24 -0.75 -4.46 118.33 118.51 2dmz n VAL 72 Ca 0.06 -0.60 -0.12 0.00 -2.04 0.00 0.00 64.34 61.64 2dmz n VAL 72 Cb 0.48 -0.54 -0.11 0.00 -1.47 0.00 0.00 33.84 32.20 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 -2.43 -0.55 -0.13 2.33 0.00 -1.19 -1.13 121.76 118.68 2dmz s ALA 73 Ca -0.07 0.48 -0.00 0.00 0.00 0.00 0.00 51.96 52.37 2dmz s ALA 73 Cb 0.05 -0.25 0.03 0.00 0.00 0.00 0.00 23.12 22.95 2dmz s ALA 73 CO 0.61 -0.14 -0.07 0.08 0.00 0.00 0.00 175.76 176.23 2dmz s VAL 74 N -0.28 1.06 -1.26 0.00 1.01 -0.14 0.72 120.40 121.51 2dmz s VAL 74 Ca -0.04 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.53 2dmz s VAL 74 Cb -0.03 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.25 2dmz s VAL 74 CO 0.01 0.32 0.58 -0.67 0.00 0.00 0.00 175.10 175.33 2dmz n ASP 75 N 4.93 -5.39 -0.51 3.32 2.03 0.24 -2.11 116.55 119.05 2dmz n ASP 75 Ca -0.12 -0.27 -0.05 0.00 0.52 0.00 0.00 54.79 54.87 2dmz n ASP 75 Cb 0.50 -4.19 -0.01 0.00 -0.72 0.00 0.00 41.12 36.69 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 -1.45 0.45 2.99 0.27 0.00 -1.23 -4.84 105.19 101.38 2dmz n GLY 76 Ca -0.08 -0.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.23 1.56 -0.63 1.61 1.01 -0.90 -5.07 120.40 115.76 2dmz s VAL 77 Ca 0.00 -0.83 -0.26 0.00 0.00 0.00 0.00 61.98 60.89 2dmz s VAL 77 Cb 0.00 -1.58 -0.08 0.00 0.00 0.00 0.00 36.38 34.72 2dmz s VAL 77 CO 0.00 0.27 2.26 0.21 0.00 0.00 0.00 175.10 177.85 2dmz s ASN 78 N 1.45 4.51 -0.05 3.32 2.47 -1.26 -0.96 114.94 124.43 2dmz s ASN 78 Ca 0.01 0.52 0.06 0.00 0.42 0.00 0.00 52.86 53.87 2dmz s ASN 78 Cb -0.15 -2.52 0.26 0.00 -1.45 0.00 0.00 41.25 37.39 2dmz s ASN 78 CO -0.09 -3.03 1.05 2.30 -3.72 0.00 0.00 177.10 173.60 2dmz n ILE 79 N 8.04 0.69 -1.55 -5.21 -5.35 -0.28 -4.85 119.36 110.85 2dmz n ILE 79 Ca 0.37 -0.43 -0.20 0.00 -0.27 0.00 0.00 62.75 62.22 2dmz n ILE 79 Cb 0.51 -0.16 -0.08 0.00 -1.74 0.00 0.00 39.64 38.16 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 0.23 0.57 0.00 6.28 6.02 -1.10 -0.26 117.38 129.13 2dmz n GLN 80 Ca 0.09 -0.55 0.00 0.00 -0.01 0.00 0.00 57.00 56.53 2dmz n GLN 80 Cb 0.42 -3.26 0.00 0.00 1.02 0.00 0.00 30.24 28.42 2dmz n GLN 80 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2dmz n GLY 81 N 6.49 1.29 3.58 1.08 0.00 -1.26 -5.08 105.19 111.29 2dmz n GLY 81 Ca 0.48 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.98 2dmz n GLY 81 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2dmz n PHE 82 N -0.03 1.42 -1.07 1.61 3.01 0.65 -4.92 117.46 118.13 2dmz n PHE 82 Ca 0.00 0.67 -0.29 0.00 1.01 0.00 0.00 57.45 58.83 2dmz n PHE 82 Cb 0.00 -2.31 0.17 0.00 -0.01 0.00 0.00 39.48 37.33 2dmz n PHE 82 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2dmz s ALA 83 N 0.34 1.10 0.14 4.37 0.00 -1.26 -4.65 121.76 121.80 2dmz s ALA 83 Ca 0.83 -0.10 -0.31 0.00 0.00 0.00 0.00 51.96 52.38 2dmz s ALA 83 Cb -0.95 -3.20 -0.09 0.00 0.00 0.00 0.00 23.12 18.88 2dmz s ALA 83 CO 0.48 -2.72 1.53 -0.97 0.00 0.00 0.00 175.76 174.09 2dmz h ASN 84 N -1.81 -1.99 -0.37 0.00 -0.73 -1.94 0.60 115.58 109.33 2dmz h ASN 84 Ca -0.52 0.28 -0.02 0.00 1.87 0.00 0.00 56.30 57.91 2dmz h ASN 84 Cb 1.30 0.85 -0.02 0.00 0.27 0.00 0.00 38.32 40.73 2dmz h ASN 84 CO 0.54 -0.30 0.16 1.12 -0.37 0.00 0.00 177.43 178.57 2dmz h HIS 85 N -0.18 0.56 -1.09 0.67 2.07 -1.99 -2.13 115.15 113.06 2dmz h HIS 85 Ca 0.12 -0.04 0.31 0.00 -2.85 0.00 0.00 60.37 57.90 2dmz h HIS 85 Cb 0.48 -0.17 -0.06 0.00 2.57 0.00 0.00 27.41 30.23 2dmz h HIS 85 CO -0.89 0.50 0.76 -0.44 -3.07 0.00 0.00 177.93 174.79 2dmz h ASP 86 N 0.46 0.16 0.29 3.10 3.32 -1.45 0.19 116.42 122.49 2dmz h ASP 86 Ca 0.13 0.03 -0.34 0.00 0.02 0.00 0.00 57.03 56.87 2dmz h ASP 86 Cb 0.17 0.01 0.02 0.00 0.22 0.00 0.00 39.33 39.75 2dmz h ASP 86 CO -0.01 0.03 -1.58 0.58 -1.72 0.00 0.00 179.24 176.54 2dmz h VAL 87 N 0.14 1.15 -0.15 -1.35 2.07 -0.45 -3.23 116.25 114.42 2dmz h VAL 87 Ca 0.56 -2.67 0.03 0.00 0.82 0.00 0.00 66.70 65.44 2dmz h VAL 87 Cb 1.92 2.90 -0.03 0.00 -1.52 0.00 0.00 31.29 34.56 2dmz h VAL 87 CO -0.11 0.84 -0.04 0.58 0.02 0.00 0.00 177.57 178.86 2dmz h VAL 88 N 0.12 0.85 -0.96 2.57 2.07 -0.04 -2.15 116.25 118.70 2dmz h VAL 88 Ca -0.28 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.27 2dmz h VAL 88 Cb 2.12 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 32.68 2dmz h VAL 88 CO 0.22 0.00 0.63 1.05 0.02 0.00 0.00 177.57 179.49 2dmz h GLU 89 N 0.00 1.18 -0.79 1.57 4.11 -1.39 -2.13 114.58 117.13 2dmz h GLU 89 Ca 0.07 -0.07 0.08 0.00 0.07 0.00 0.00 59.36 59.51 2dmz h GLU 89 Cb 0.11 -0.27 -0.07 0.00 0.50 0.00 0.00 28.75 29.02 2dmz h GLU 89 CO -0.15 0.78 0.46 0.28 0.07 0.00 0.00 179.01 180.45 2dmz h VAL 90 N 1.22 0.95 -0.18 -1.06 2.07 -1.42 -0.21 116.25 117.62 2dmz h VAL 90 Ca 0.38 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 2dmz h VAL 90 Cb -0.01 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 2dmz h VAL 90 CO -0.11 0.15 0.07 -0.07 0.02 0.00 0.00 177.57 177.62 2dmz h LEU 91 N 0.80 0.26 -0.69 2.57 3.38 -0.99 -1.86 115.31 118.77 2dmz h LEU 91 Ca 0.37 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 58.18 2dmz h LEU 91 Cb 0.28 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 2dmz h LEU 91 CO -0.22 0.36 0.44 0.03 0.09 0.00 0.00 178.44 179.15 2dmz h ARG 92 N 0.13 0.87 -0.94 1.13 3.08 -1.11 -2.34 114.38 115.20 2dmz h ARG 92 Ca 0.06 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 2dmz h ARG 92 Cb 0.19 -0.20 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 2dmz h ARG 92 CO -0.00 0.57 0.55 -0.91 -1.07 0.00 0.00 179.97 179.11 2dmz h ASN 93 N 0.89 1.14 -3.14 7.04 2.35 -0.90 -3.44 115.58 119.53 2dmz h ASN 93 Ca 0.26 -0.08 -0.55 0.00 -0.55 0.00 0.00 56.30 55.39 2dmz h ASN 93 Cb -0.06 -0.29 0.21 0.00 0.05 0.00 0.00 38.32 38.23 2dmz h ASN 93 CO -0.07 0.89 -0.68 0.00 -1.65 0.00 0.00 177.43 175.91 2dmz n ALA 94 N -2.40 -2.60 -2.37 -0.83 0.00 -0.71 -5.02 120.51 106.58 2dmz n ALA 94 Ca 0.10 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2dmz n ALA 94 Cb 0.07 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 1.81 3.67 0.41 0.00 0.00 -1.26 -5.02 105.19 104.81 2dmz n GLY 95 Ca 0.07 -1.97 -0.14 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.58 -6.00 1.61 4.15 -1.90 -3.33 115.11 109.06 2dmz h GLN 96 Ca 0.00 0.04 -0.47 0.00 0.77 0.00 0.00 58.65 58.99 2dmz h GLN 96 Cb 0.00 0.13 -0.06 0.00 0.21 0.00 0.00 27.48 27.76 2dmz h GLN 96 CO 0.00 -0.38 1.14 0.08 -1.93 0.00 0.00 178.83 177.74 2dmz s VAL 97 N -5.37 3.55 -0.49 2.39 1.01 -1.26 -3.29 120.40 116.94 2dmz s VAL 97 Ca -0.14 -0.09 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 2dmz s VAL 97 Cb 0.06 -4.35 0.12 0.00 0.00 0.00 0.00 36.38 32.21 2dmz s VAL 97 CO 0.53 -1.29 0.39 -0.69 0.00 0.00 0.00 175.10 174.04 2dmz s VAL 98 N 7.99 4.51 -0.67 2.92 1.01 -1.02 -4.94 120.40 130.19 2dmz s VAL 98 Ca 0.58 -1.70 -0.23 0.00 0.00 0.00 0.00 61.98 60.62 2dmz s VAL 98 Cb -0.08 -3.94 0.06 0.00 0.00 0.00 0.00 36.38 32.42 2dmz s VAL 98 CO 0.08 -0.80 1.02 -1.00 0.00 0.00 0.00 175.10 174.40 2dmz s HIS 99 N 1.43 2.61 -0.01 5.22 3.76 -1.24 -1.36 115.29 125.70 2dmz s HIS 99 Ca 0.05 -0.47 -0.24 0.00 -0.15 0.00 0.00 55.06 54.24 2dmz s HIS 99 Cb -0.27 -4.35 -0.05 0.00 1.11 0.00 0.00 32.58 29.02 2dmz s HIS 99 CO 0.00 -1.72 0.73 -1.17 -0.85 0.00 0.00 174.74 171.74 2dmz s LEU 100 N 4.34 4.39 -0.38 0.89 1.98 0.47 0.79 118.68 131.17 2dmz s LEU 100 Ca 0.24 1.33 -0.10 0.00 -2.89 0.00 0.00 54.13 52.71 2dmz s LEU 100 Cb -0.15 -3.16 0.04 0.00 0.66 0.00 0.00 46.19 43.57 2dmz s LEU 100 CO 0.11 -0.04 0.20 -0.89 -1.89 0.00 0.00 176.35 173.83 2dmz s THR 101 N 0.33 4.39 0.25 3.68 2.01 0.22 -0.90 115.64 125.63 2dmz s THR 101 Ca 0.38 -0.99 0.12 0.00 0.31 0.00 0.00 61.69 61.51 2dmz s THR 101 Cb -0.19 -3.49 -0.05 0.00 0.01 0.00 0.00 72.50 68.78 2dmz s THR 101 CO 0.21 -0.27 -0.21 -0.76 -0.69 0.00 0.00 174.62 172.90 2dmz s LEU 102 N 1.51 2.54 -0.16 4.42 1.02 -1.10 -1.80 118.68 125.11 2dmz s LEU 102 Ca 0.01 -0.98 -0.04 0.00 0.02 0.00 0.00 54.13 53.14 2dmz s LEU 102 Cb -0.20 -1.10 0.06 0.00 0.02 0.00 0.00 46.19 44.98 2dmz s LEU 102 CO 0.05 0.05 0.13 0.54 0.02 0.00 0.00 176.35 177.15 2dmz s VAL 103 N -2.30 -0.18 0.19 -1.59 0.11 -0.82 -1.71 120.40 114.11 2dmz s VAL 103 Ca 0.27 -0.03 0.08 0.00 -2.93 0.00 0.00 61.98 59.37 2dmz s VAL 103 Cb -0.06 -0.53 -0.04 0.00 -1.53 0.00 0.00 36.38 34.23 2dmz s VAL 103 CO 0.13 -0.16 -0.02 -0.13 -3.33 0.00 0.00 175.10 171.59 2dmz s ARG 104 N 2.21 2.31 -0.03 1.54 0.52 -1.13 -3.73 118.95 120.66 2dmz s ARG 104 Ca 0.04 -1.19 -0.30 0.00 -0.52 0.00 0.00 55.73 53.76 2dmz s ARG 104 Cb -0.15 -2.28 -0.06 0.00 0.52 0.00 0.00 34.95 32.98 2dmz s ARG 104 CO -0.09 0.44 1.55 0.50 0.02 0.00 0.00 175.30 177.72 2dmz s ARG 105 N -3.04 4.22 0.18 3.54 3.52 -1.26 -1.22 118.95 124.89 2dmz s ARG 105 Ca 0.27 2.11 -0.13 0.00 -0.13 0.00 0.00 55.73 57.85 2dmz s ARG 105 Cb -0.09 -3.78 0.08 0.00 -1.56 0.00 0.00 34.95 29.60 2dmz s ARG 105 CO 0.18 -0.74 1.85 0.87 -0.81 0.00 0.00 175.30 176.65 2dmz h LYS 106 N 8.73 0.75 -5.48 5.12 1.57 -1.48 -3.44 116.57 122.34 2dmz h LYS 106 Ca -0.38 -0.05 -0.61 0.00 -1.87 0.00 0.00 60.65 57.74 2dmz h LYS 106 Cb 1.17 -0.17 0.10 0.00 0.08 0.00 0.00 32.23 33.42 2dmz h LYS 106 CO 0.94 0.50 -0.50 2.41 -0.57 0.00 0.00 179.45 182.23 2dmz n THR 107 N -4.69 1.79 -0.47 -0.16 -1.04 -1.26 -4.88 114.28 103.57 2dmz n THR 107 Ca 0.04 -0.46 -0.29 0.00 -2.04 0.00 0.00 64.05 61.30 2dmz n THR 107 Cb 0.02 0.00 0.24 0.00 -1.82 0.00 0.00 70.33 68.77 2dmz n THR 107 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2dmz n SER 108 N 1.84 -2.63 -4.94 8.00 3.41 -1.26 -5.03 113.62 113.00 2dmz n SER 108 Ca 0.16 -0.35 -0.20 0.00 -0.26 0.00 0.00 58.87 58.22 2dmz n SER 108 Cb 0.23 -1.06 0.05 0.00 -0.26 0.00 0.00 64.21 63.17 2dmz n SER 108 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dmz s SER 109 N -2.33 5.12 1.09 4.04 0.15 -1.26 -5.08 113.70 115.42 2dmz s SER 109 Ca 0.62 -0.48 -0.13 0.00 0.70 0.00 0.00 55.95 56.65 2dmz s SER 109 Cb -0.17 -0.23 0.19 0.00 -1.71 0.00 0.00 66.02 64.10 2dmz s SER 109 CO 0.61 -1.26 0.76 -1.54 1.20 0.00 0.00 173.24 173.00 2dmz n SER 110 N -2.28 -1.48 -4.77 5.45 3.41 -1.26 -4.90 113.62 107.78 2dmz n SER 110 Ca 0.12 0.03 -0.40 0.00 -0.26 0.00 0.00 58.87 58.36 2dmz n SER 110 Cb 0.60 -1.24 0.01 0.00 -0.26 0.00 0.00 64.21 63.33 2dmz n SER 110 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2dmz s THR 111 N -2.42 2.05 -1.13 6.66 -1.32 -1.26 -3.20 115.64 115.03 2dmz s THR 111 Ca 0.64 0.04 -0.03 0.00 -1.21 0.00 0.00 61.69 61.13 2dmz s THR 111 Cb -0.22 -3.03 -0.03 0.00 -1.51 0.00 0.00 72.50 67.71 2dmz s THR 111 CO 0.64 0.01 0.95 -1.20 -2.21 0.00 0.00 174.62 172.81 2dmz n SER 112 N -0.04 -4.29 -2.63 8.08 7.64 -1.26 -5.01 113.62 116.11 2dmz n SER 112 Ca 0.04 -0.67 -0.03 0.00 1.01 0.00 0.00 58.87 59.21 2dmz n SER 112 Cb 0.41 -5.13 0.03 0.00 -1.01 0.00 0.00 64.21 58.51 2dmz n SER 112 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2dmz n PRO 113 N -3.70 -1.27 -0.07 1.43 -0.04 -1.19 -5.05 135.00 125.10 2dmz n PRO 113 Ca -0.18 -0.20 -0.12 0.00 -0.04 0.00 0.00 63.50 62.95 2dmz n PRO 113 Cb 0.65 -0.19 -0.04 0.00 -0.04 0.00 0.00 33.50 33.88 2dmz n PRO 113 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2dmz n LEU 114 N 0.00 1.65 -3.18 1.53 4.77 -1.26 -4.81 117.00 115.69 2dmz n LEU 114 Ca 0.02 0.27 -0.27 0.00 -0.03 0.00 0.00 56.01 56.01 2dmz n LEU 114 Cb 0.07 -0.63 -0.06 0.00 -2.33 0.00 0.00 43.42 40.46 2dmz n LEU 114 CO 0.05 -0.10 0.08 -1.84 -1.33 0.00 0.00 177.39 174.25 2dmz n GLU 115 N -4.13 2.72 -2.26 3.23 0.00 -1.26 -5.09 120.64 113.86 2dmz n GLU 115 Ca -0.21 -4.65 -0.39 0.00 0.00 0.00 0.00 57.16 51.91 2dmz n GLU 115 Cb 0.53 -2.18 -0.02 0.00 0.00 0.00 0.00 31.44 29.77 2dmz n GLU 115 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 2dmz s PRO 116 N -2.88 4.08 -0.01 3.44 0.04 -1.26 -4.97 135.00 133.43 2dmz s PRO 116 Ca 0.44 1.90 -0.30 0.00 0.04 0.00 0.00 61.00 63.08 2dmz s PRO 116 Cb 0.22 -2.72 -0.06 0.00 0.04 0.00 0.00 34.50 31.98 2dmz s PRO 116 CO -0.08 -0.32 1.45 -1.25 0.04 0.00 0.00 177.00 176.85 2dmz s PRO 117 N -2.23 4.26 -0.64 0.56 0.04 -1.26 -4.92 135.00 130.81 2dmz s PRO 117 Ca 0.56 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.61 2dmz s PRO 117 Cb -0.32 -3.64 0.45 0.00 0.04 0.00 0.00 34.50 31.03 2dmz s PRO 117 CO 0.41 -0.64 1.96 -1.13 0.04 0.00 0.00 177.00 177.65 2dmz n SER 118 N 5.68 7.47 -3.75 6.66 3.41 -1.26 -4.91 113.62 126.92 2dmz n SER 118 Ca 0.14 -3.79 -0.12 0.00 -0.26 0.00 0.00 58.87 54.84 2dmz n SER 118 Cb 0.43 -0.92 -0.12 0.00 -0.26 0.00 0.00 64.21 63.34 2dmz n SER 118 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2dmz s ASP 119 N -1.99 -0.32 -0.53 4.04 1.11 -1.26 -5.11 116.67 112.61 2dmz s ASP 119 Ca 0.64 0.61 -0.28 0.00 0.18 0.00 0.00 52.55 53.70 2dmz s ASP 119 Cb 0.50 0.57 0.02 0.00 1.07 0.00 0.00 42.92 45.08 2dmz s ASP 119 CO -0.01 -0.13 1.38 -0.13 1.18 0.00 0.00 175.17 177.46 2dmz s ARG 120 N 0.60 3.40 0.72 8.23 3.00 -1.26 -5.00 118.95 128.64 2dmz s ARG 120 Ca -0.04 0.53 -0.11 0.00 0.00 0.00 0.00 55.73 56.12 2dmz s ARG 120 Cb -0.05 -4.08 0.03 0.00 0.00 0.00 0.00 34.95 30.85 2dmz s ARG 120 CO -0.04 -1.81 1.10 0.20 0.00 0.00 0.00 175.30 174.75 2dmz s GLY 121 N 4.08 1.62 0.25 -3.53 0.00 -1.26 -5.00 107.32 103.49 2dmz s GLY 121 Ca 0.53 -0.48 -0.30 0.00 0.00 0.00 0.00 44.72 44.46 2dmz s GLY 121 CO 0.27 -0.08 1.55 -0.51 0.00 0.00 0.00 173.10 174.32 2dmz s THR 122 N -3.39 2.34 -0.10 0.90 -4.23 -1.26 -4.98 115.64 104.93 2dmz s THR 122 Ca 0.59 0.28 -0.20 0.00 -1.18 0.00 0.00 61.69 61.18 2dmz s THR 122 Cb -0.11 -3.18 -0.04 0.00 1.34 0.00 0.00 72.50 70.51 2dmz s THR 122 CO 0.50 0.04 0.55 0.54 -0.54 0.00 0.00 174.62 175.71 2dmz s VAL 123 N 0.26 5.14 0.10 2.29 0.11 -1.26 -5.00 120.40 122.05 2dmz s VAL 123 Ca 0.64 1.11 -0.29 0.00 -2.93 0.00 0.00 61.98 60.50 2dmz s VAL 123 Cb -0.45 -3.89 -0.16 0.00 -1.53 0.00 0.00 36.38 30.35 2dmz s VAL 123 CO 0.43 0.31 0.67 -1.20 -3.33 0.00 0.00 175.10 171.97 2dmz n SER 124 N 3.68 -0.65 -3.17 3.54 7.64 -1.26 -4.95 113.62 118.46 2dmz n SER 124 Ca -0.05 1.02 -0.11 0.00 1.01 0.00 0.00 58.87 60.73 2dmz n SER 124 Cb 0.52 -0.83 0.06 0.00 -1.01 0.00 0.00 64.21 62.94 2dmz n SER 124 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dmz n GLY 125 N 1.59 0.46 3.68 0.23 0.00 -1.26 -4.37 105.19 105.51 2dmz n GLY 125 Ca 0.17 -1.95 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 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 -3.76 4.24 -0.41 1.61 0.04 -1.26 -3.73 135.00 131.72 2dmz s PRO 126 Ca 0.32 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.40 2dmz s PRO 126 Cb -0.02 -3.70 0.11 0.00 0.04 0.00 0.00 34.50 30.94 2dmz s PRO 126 CO 0.21 -0.67 0.15 0.45 0.04 0.00 0.00 177.00 177.18 2dmz s SER 127 N 2.30 4.79 0.36 6.66 0.15 -1.26 -5.04 113.70 121.66 2dmz s SER 127 Ca 0.66 -2.38 -0.18 0.00 0.70 0.00 0.00 55.95 54.75 2dmz s SER 127 Cb -0.31 -1.68 -0.10 0.00 -1.71 0.00 0.00 66.02 62.21 2dmz s SER 127 CO 0.26 -0.37 0.82 -0.44 1.20 0.00 0.00 173.24 174.71 2dmz s SER 128 N 0.78 6.85 0.00 5.45 0.01 -1.26 -5.00 113.70 120.53 2dmz s SER 128 Ca 0.12 1.45 0.00 0.00 1.31 0.00 0.00 55.95 58.83 2dmz s SER 128 Cb -0.21 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.58 2dmz s SER 128 CO -0.05 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 173.95