#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dmz s SER 2 N 0.00 6.42 0.18 1.61 0.01 -1.26 -5.10 113.70 115.56 2dmz s SER 2 Ca 0.00 0.45 -0.10 0.00 1.31 0.00 0.00 55.95 57.61 2dmz s SER 2 Cb 0.00 -2.05 -0.01 0.00 0.21 0.00 0.00 66.02 64.17 2dmz s SER 2 CO 0.00 0.30 0.33 -0.44 0.41 0.00 0.00 173.24 173.84 2dmz s SER 3 N -1.59 0.00 0.00 2.44 0.01 -1.26 -5.15 113.70 108.15 2dmz s SER 3 Ca 0.24 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.62 2dmz s SER 3 Cb -0.13 0.47 0.00 0.00 0.21 0.00 0.00 66.02 66.57 2dmz s SER 3 CO 0.14 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.45 2dmz n GLY 4 N -0.25 2.69 3.21 3.44 0.00 -1.26 -5.08 105.19 107.94 2dmz n GLY 4 Ca -0.06 -1.97 -0.28 0.00 0.00 0.00 0.00 46.02 43.71 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 2.53 0.77 1.61 1.04 -1.26 -5.14 113.70 113.24 2dmz s SER 5 Ca 0.00 -0.41 -0.07 0.00 0.48 0.00 0.00 55.95 55.95 2dmz s SER 5 Cb 0.00 -0.54 0.11 0.00 0.10 0.00 0.00 66.02 65.69 2dmz s SER 5 CO 0.00 0.22 1.08 -0.94 0.98 0.00 0.00 173.24 174.58 2dmz s SER 6 N -0.23 4.32 -0.21 7.02 1.04 -1.26 -5.11 113.70 119.28 2dmz s SER 6 Ca 0.01 0.22 -0.09 0.00 0.48 0.00 0.00 55.95 56.57 2dmz s SER 6 Cb -0.11 -0.67 0.08 0.00 0.10 0.00 0.00 66.02 65.43 2dmz s SER 6 CO 0.01 -1.91 0.47 -0.83 0.98 0.00 0.00 173.24 171.95 2dmz s GLY 7 N -4.65 -0.41 -0.58 7.32 0.00 -1.26 -5.11 107.32 102.62 2dmz s GLY 7 Ca 0.65 1.68 -0.19 0.00 0.00 0.00 0.00 44.72 46.86 2dmz s GLY 7 CO 0.46 2.26 0.72 -0.32 0.00 0.00 0.00 173.10 176.22 2dmz s GLY 8 N 2.19 1.72 -0.29 0.20 0.00 -1.26 -4.97 107.32 104.90 2dmz s GLY 8 Ca -0.05 -2.06 -0.14 0.00 0.00 0.00 0.00 44.72 42.46 2dmz s GLY 8 CO -0.14 1.62 0.82 -1.35 0.00 0.00 0.00 173.10 174.05 2dmz s SER 9 N 3.41 -0.80 -1.13 1.64 1.04 -1.26 -5.07 113.70 111.54 2dmz s SER 9 Ca 0.14 1.18 -0.19 0.00 0.48 0.00 0.00 55.95 57.56 2dmz s SER 9 Cb -0.22 1.63 -0.05 0.00 0.10 0.00 0.00 66.02 67.48 2dmz s SER 9 CO 0.08 -0.18 1.98 -0.90 0.98 0.00 0.00 173.24 175.21 2dmz n ASP 10 N 4.59 3.39 -0.04 7.02 5.75 -1.26 -4.51 116.55 131.49 2dmz n ASP 10 Ca -0.15 -2.77 -0.04 0.00 -0.01 0.00 0.00 54.79 51.82 2dmz n ASP 10 Cb 0.55 -1.48 -0.01 0.00 -1.03 0.00 0.00 41.12 39.14 2dmz n ASP 10 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2dmz n SER 11 N 8.52 0.92 -4.36 -1.12 2.88 -1.26 -4.82 113.62 114.39 2dmz n SER 11 Ca 0.49 0.15 -0.45 0.00 -1.33 0.00 0.00 58.87 57.74 2dmz n SER 11 Cb 0.42 -0.56 -0.00 0.00 -0.75 0.00 0.00 64.21 63.32 2dmz n SER 11 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dmz s SER 12 N -5.04 7.23 0.41 -3.46 0.01 -1.26 -4.83 113.70 106.75 2dmz s SER 12 Ca -0.13 -3.41 0.18 0.00 1.31 0.00 0.00 55.95 53.90 2dmz s SER 12 Cb 0.02 -2.24 0.87 0.00 0.21 0.00 0.00 66.02 64.88 2dmz s SER 12 CO 0.19 -0.38 1.86 -0.07 0.41 0.00 0.00 173.24 175.24 2dmz h LEU 13 N 7.21 0.00-10.32 2.44 -0.00 -1.94 -3.45 115.31 109.26 2dmz h LEU 13 Ca 0.19 0.00 -0.53 0.00 -0.00 0.00 0.00 57.88 57.54 2dmz h LEU 13 Cb 0.89 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.52 2dmz h LEU 13 CO 1.02 0.32 -0.30 -0.36 -0.00 0.00 0.00 178.44 179.11 2dmz s PHE 14 N -4.03 2.06 -0.14 1.13 0.40 -1.26 0.18 117.98 116.30 2dmz s PHE 14 Ca -0.02 -0.67 -0.00 0.00 -0.60 0.00 0.00 56.93 55.63 2dmz s PHE 14 Cb 0.13 -2.07 0.03 0.00 0.51 0.00 0.00 43.02 41.62 2dmz s PHE 14 CO 0.68 -0.43 -0.08 -1.83 0.70 0.00 0.00 175.22 174.27 2dmz s GLU 15 N -4.27 1.66 -0.07 0.44 -1.05 0.70 -4.71 118.70 111.39 2dmz s GLU 15 Ca 0.44 -0.44 -0.16 0.00 -0.15 0.00 0.00 54.97 54.67 2dmz s GLU 15 Cb -0.03 -1.88 -0.05 0.00 -0.44 0.00 0.00 34.13 31.73 2dmz s GLU 15 CO 0.27 -0.33 0.41 0.99 0.95 0.00 0.00 175.26 177.54 2dmz s THR 16 N 1.62 5.13 0.01 1.83 2.01 -1.26 -2.65 115.64 122.34 2dmz s THR 16 Ca 0.03 0.82 -0.10 0.00 0.31 0.00 0.00 61.69 62.75 2dmz s THR 16 Cb -0.14 -3.73 0.01 0.00 0.01 0.00 0.00 72.50 68.65 2dmz s THR 16 CO -0.08 0.47 0.19 -0.72 -0.69 0.00 0.00 174.62 173.78 2dmz s TYR 17 N -0.27 -0.00 -0.17 4.92 1.13 -0.80 -5.00 117.35 117.15 2dmz s TYR 17 Ca 0.23 -0.09 -0.06 0.00 -1.41 0.00 0.00 57.07 55.74 2dmz s TYR 17 Cb -0.15 -0.01 -0.04 0.00 -1.10 0.00 0.00 41.96 40.66 2dmz s TYR 17 CO 0.11 -0.36 0.03 0.54 -2.51 0.00 0.00 175.55 173.36 2dmz s ASN 18 N -1.60 5.35 -0.29 -0.18 2.20 -1.26 -1.89 114.94 117.27 2dmz s ASN 18 Ca -0.11 0.01 -0.06 0.00 -0.94 0.00 0.00 52.86 51.76 2dmz s ASN 18 Cb -0.05 -1.90 0.02 0.00 -2.00 0.00 0.00 41.25 37.31 2dmz s ASN 18 CO 0.00 0.17 0.06 -0.69 -2.94 0.00 0.00 177.10 173.70 2dmz s VAL 19 N 0.38 3.69 -0.85 3.54 1.01 0.14 -4.89 120.40 123.43 2dmz s VAL 19 Ca 0.01 -0.86 -0.19 0.00 0.00 0.00 0.00 61.98 60.94 2dmz s VAL 19 Cb -0.13 -2.94 0.13 0.00 0.00 0.00 0.00 36.38 33.44 2dmz s VAL 19 CO 0.01 0.05 1.03 -0.70 0.00 0.00 0.00 175.10 175.49 2dmz s GLU 20 N 1.44 3.48 0.44 2.72 2.12 -1.26 -0.54 118.70 127.11 2dmz s GLU 20 Ca 0.01 -1.66 -0.18 0.00 0.36 0.00 0.00 54.97 53.50 2dmz s GLU 20 Cb -0.18 -4.72 -0.09 0.00 0.26 0.00 0.00 34.13 29.40 2dmz s GLU 20 CO 0.01 -1.71 0.92 -0.51 -0.54 0.00 0.00 175.26 173.43 2dmz s LEU 21 N 2.63 3.84 -0.10 2.70 1.43 -0.62 -4.84 118.68 123.73 2dmz s LEU 21 Ca 0.28 1.56 0.02 0.00 -1.03 0.00 0.00 54.13 54.95 2dmz s LEU 21 Cb -0.09 -4.43 -0.02 0.00 0.03 0.00 0.00 46.19 41.69 2dmz s LEU 21 CO -0.05 -0.42 -0.15 0.54 0.23 0.00 0.00 176.35 176.50 2dmz s VAL 22 N -2.31 2.94 -0.51 -1.59 0.11 -1.26 -2.47 120.40 115.31 2dmz s VAL 22 Ca 0.59 -0.72 -0.15 0.00 -2.93 0.00 0.00 61.98 58.77 2dmz s VAL 22 Cb -0.10 -2.19 0.11 0.00 -1.53 0.00 0.00 36.38 32.67 2dmz s VAL 22 CO 0.21 0.55 0.44 -0.13 -3.33 0.00 0.00 175.10 172.84 2dmz s ARG 23 N 0.00 2.93 1.23 1.54 0.52 -1.20 -4.64 118.95 119.34 2dmz s ARG 23 Ca -0.05 -1.58 -0.14 0.00 -0.52 0.00 0.00 55.73 53.45 2dmz s ARG 23 Cb -0.14 -4.19 0.31 0.00 0.52 0.00 0.00 34.95 31.44 2dmz s ARG 23 CO 0.04 -1.20 0.95 1.63 0.02 0.00 0.00 175.30 176.74 2dmz n LYS 24 N 5.20 -2.87 -1.47 3.54 5.02 -1.25 -4.66 118.16 121.67 2dmz n LYS 24 Ca -0.13 -0.82 -0.14 0.00 -2.02 0.00 0.00 58.31 55.21 2dmz n LYS 24 Cb 0.41 -2.11 -0.12 0.00 -0.02 0.00 0.00 35.03 33.20 2dmz n LYS 24 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2dmz n ASP 25 N -4.97 0.25 0.00 4.39 5.75 -1.26 -0.81 116.55 119.90 2dmz n ASP 25 Ca 0.03 -1.40 0.00 0.00 -0.01 0.00 0.00 54.79 53.41 2dmz n ASP 25 Cb 0.55 -1.21 0.00 0.00 -1.03 0.00 0.00 41.12 39.43 2dmz n ASP 25 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2dmz n GLY 26 N 6.00 2.77 3.64 6.12 0.00 -1.26 -5.05 105.19 117.40 2dmz n GLY 26 Ca 0.45 -0.55 -0.49 0.00 0.00 0.00 0.00 46.02 45.43 2dmz n GLY 26 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2dmz n GLN 27 N 0.00 1.68 -2.80 1.61 7.27 0.01 -4.97 117.38 120.18 2dmz n GLN 27 Ca 0.00 0.61 -0.20 0.00 0.07 0.00 0.00 57.00 57.48 2dmz n GLN 27 Cb 0.00 -2.32 0.03 0.00 2.41 0.00 0.00 30.24 30.36 2dmz n GLN 27 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 2dmz s SER 28 N 0.87 5.33 0.12 1.69 1.04 -1.26 -3.86 113.70 117.63 2dmz s SER 28 Ca 0.82 -0.25 -0.26 0.00 0.48 0.00 0.00 55.95 56.74 2dmz s SER 28 Cb -0.81 -0.64 -0.05 0.00 0.10 0.00 0.00 66.02 64.62 2dmz s SER 28 CO 0.43 -1.08 1.62 0.25 0.98 0.00 0.00 173.24 175.45 2dmz h LEU 29 N 0.24 -0.86 -1.91 2.42 5.85 -1.94 -3.09 115.31 116.02 2dmz h LEU 29 Ca -0.40 0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.35 2dmz h LEU 29 Cb 1.29 0.35 0.05 0.00 0.37 0.00 0.00 40.66 42.71 2dmz h LEU 29 CO 0.48 -0.35 -0.21 0.61 -0.34 0.00 0.00 178.44 178.63 2dmz n GLY 30 N -1.39 0.23 2.79 3.75 0.00 -1.26 -1.94 105.19 107.36 2dmz n GLY 30 Ca -0.05 -0.32 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.10 0.45 -0.17 -0.61 1.01 -1.26 -2.50 121.20 115.03 2dmz s ILE 31 Ca 0.00 0.07 -0.15 0.00 0.00 0.00 0.00 60.65 60.57 2dmz s ILE 31 Cb -0.00 -0.59 -0.04 0.00 0.01 0.00 0.00 42.46 41.84 2dmz s ILE 31 CO 0.19 0.27 0.35 -0.13 0.00 0.00 0.00 174.94 175.63 2dmz s ARG 32 N 1.89 4.25 0.42 2.79 1.81 -0.44 -5.01 118.95 124.65 2dmz s ARG 32 Ca 0.04 0.18 0.08 0.00 -1.72 0.00 0.00 55.73 54.31 2dmz s ARG 32 Cb -0.12 -3.46 -0.03 0.00 -0.45 0.00 0.00 34.95 30.89 2dmz s ARG 32 CO -0.05 0.14 0.34 0.96 -0.68 0.00 0.00 175.30 176.00 2dmz s ILE 33 N 0.76 2.58 -0.02 1.52 -4.36 -1.26 0.19 121.20 120.60 2dmz s ILE 33 Ca 0.19 -1.42 -0.12 0.00 -0.26 0.00 0.00 60.65 59.04 2dmz s ILE 33 Cb -0.14 -3.00 0.02 0.00 1.25 0.00 0.00 42.46 40.59 2dmz s ILE 33 CO 0.06 0.00 0.26 0.54 0.24 0.00 0.00 174.94 176.04 2dmz s VAL 34 N -2.50 0.06 -0.41 8.37 0.11 -0.14 -4.50 120.40 121.39 2dmz s VAL 34 Ca 0.47 -0.47 -0.11 0.00 -2.93 0.00 0.00 61.98 58.94 2dmz s VAL 34 Cb -0.02 -0.53 0.06 0.00 -1.53 0.00 0.00 36.38 34.36 2dmz s VAL 34 CO 0.27 -0.26 0.27 -0.83 -3.33 0.00 0.00 175.10 171.22 2dmz s GLY 35 N -1.13 1.97 -0.15 6.54 0.00 -1.26 -2.66 107.32 110.62 2dmz s GLY 35 Ca -0.12 -2.01 -0.14 0.00 0.00 0.00 0.00 44.72 42.46 2dmz s GLY 35 CO 0.03 0.94 0.29 -0.19 0.00 0.00 0.00 173.10 174.18 2dmz s TYR 36 N 1.50 3.47 -0.19 1.90 2.02 -0.68 -4.96 117.35 120.41 2dmz s TYR 36 Ca 0.03 0.61 0.15 0.00 -0.37 0.00 0.00 57.07 57.48 2dmz s TYR 36 Cb -0.22 -2.33 -0.22 0.00 -0.40 0.00 0.00 41.96 38.79 2dmz s TYR 36 CO 0.04 0.26 0.03 0.28 -1.57 0.00 0.00 175.55 174.60 2dmz n VAL 37 N 3.47 1.31 -2.39 0.71 0.31 -1.26 -1.47 118.33 119.01 2dmz n VAL 37 Ca -0.12 -0.76 0.00 0.00 -0.01 0.00 0.00 64.34 63.44 2dmz n VAL 37 Cb 0.52 -0.61 0.00 0.00 -0.91 0.00 0.00 33.84 32.84 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 1.90 1.25 3.22 2.92 0.00 -0.86 -4.62 105.19 109.00 2dmz n GLY 38 Ca -0.32 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 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 0.00 0.79 0.22 2.61 -1.32 -1.26 -4.95 115.64 111.73 2dmz s THR 39 Ca 0.00 -1.98 -0.17 0.00 -1.21 0.00 0.00 61.69 58.32 2dmz s THR 39 Cb 0.00 -1.94 0.21 0.00 -1.51 0.00 0.00 72.50 69.27 2dmz s THR 39 CO 0.00 -0.65 1.48 -0.24 -2.21 0.00 0.00 174.62 173.01 2dmz n SER 40 N -0.18 -0.64 -4.71 8.08 2.88 -1.26 -4.45 113.62 113.34 2dmz n SER 40 Ca -0.09 1.67 -0.29 0.00 -1.33 0.00 0.00 58.87 58.83 2dmz n SER 40 Cb 0.62 -0.37 0.16 0.00 -0.75 0.00 0.00 64.21 63.86 2dmz n SER 40 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2dmz s HIS 41 N -5.88 2.26 -0.37 0.66 3.76 -1.26 -4.92 115.29 109.54 2dmz s HIS 41 Ca -0.13 1.03 -0.04 0.00 -0.15 0.00 0.00 55.06 55.77 2dmz s HIS 41 Cb 0.19 -3.25 0.00 0.00 1.11 0.00 0.00 32.58 30.63 2dmz s HIS 41 CO 0.68 -2.64 2.92 0.25 -0.85 0.00 0.00 174.74 175.10 2dmz n THR 42 N -4.01 3.25 -0.02 1.30 -2.24 -1.26 -4.39 114.28 106.92 2dmz n THR 42 Ca 0.06 -2.70 -0.03 0.00 -2.27 0.00 0.00 64.05 59.11 2dmz n THR 42 Cb 0.57 -1.67 -0.01 0.00 -2.10 0.00 0.00 70.33 67.13 2dmz n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dmz n GLY 43 N 1.17 -0.27 3.18 3.38 0.00 -1.26 -5.05 105.19 106.34 2dmz n GLY 43 Ca 0.48 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 46.13 2dmz n GLY 43 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dmz n GLU 44 N -3.39 -3.01 -3.09 1.61 4.71 -1.26 -4.93 120.64 111.27 2dmz n GLU 44 Ca -0.04 -0.88 -0.39 0.00 -0.01 0.00 0.00 57.16 55.83 2dmz n GLU 44 Cb 0.17 -1.74 -0.05 0.00 -1.01 0.00 0.00 31.44 28.81 2dmz n GLU 44 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2dmz s ALA 45 N -2.16 3.37 -0.15 0.62 0.00 -1.26 -4.73 121.76 117.45 2dmz s ALA 45 Ca 0.54 0.09 -0.03 0.00 0.00 0.00 0.00 51.96 52.55 2dmz s ALA 45 Cb -0.12 -2.90 0.05 0.00 0.00 0.00 0.00 23.12 20.16 2dmz s ALA 45 CO 0.51 -0.06 0.05 -1.54 0.00 0.00 0.00 175.76 174.73 2dmz s SER 46 N 0.64 2.28 0.00 0.00 1.04 -1.26 -2.04 113.70 114.37 2dmz s SER 46 Ca 0.36 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.26 2dmz s SER 46 Cb -0.18 -0.38 0.00 0.00 0.10 0.00 0.00 66.02 65.56 2dmz s SER 46 CO 0.17 -0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.70 2dmz n GLY 47 N 5.18 -1.07 3.77 7.32 0.00 -0.54 -4.97 105.19 114.88 2dmz n GLY 47 Ca -0.07 -1.50 -0.39 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.18 4.61 0.00 -0.61 -1.09 -1.26 -1.69 121.20 118.99 2dmz s ILE 48 Ca 0.00 1.52 -0.06 0.00 -2.23 0.00 0.00 60.65 59.88 2dmz s ILE 48 Cb 0.00 -4.06 -0.00 0.00 -1.58 0.00 0.00 42.46 36.82 2dmz s ILE 48 CO 0.00 0.48 0.11 -0.31 -1.23 0.00 0.00 174.94 173.99 2dmz s TYR 49 N -0.73 0.06 -0.68 3.97 1.51 -1.09 -1.97 117.35 118.42 2dmz s TYR 49 Ca 0.34 -0.15 -0.27 0.00 -1.01 0.00 0.00 57.07 55.99 2dmz s TYR 49 Cb -0.21 -0.06 -0.00 0.00 -0.11 0.00 0.00 41.96 41.58 2dmz s TYR 49 CO 0.23 -0.25 1.65 0.08 -1.11 0.00 0.00 175.55 176.15 2dmz s VAL 50 N -1.26 3.50 0.21 0.71 1.01 -1.13 -0.96 120.40 122.46 2dmz s VAL 50 Ca -0.14 0.23 -0.10 0.00 0.00 0.00 0.00 61.98 61.98 2dmz s VAL 50 Cb -0.07 -4.31 0.15 0.00 0.00 0.00 0.00 36.38 32.15 2dmz s VAL 50 CO 0.01 -1.26 1.83 0.50 0.00 0.00 0.00 175.10 176.18 2dmz h LYS 51 N 13.01 1.04 -2.87 2.72 1.63 -0.49 -3.27 116.57 128.35 2dmz h LYS 51 Ca -0.24 -0.11 0.05 0.00 -0.85 0.00 0.00 60.65 59.49 2dmz h LYS 51 Cb 1.11 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 32.51 2dmz h LYS 51 CO 1.24 0.76 0.34 -1.12 -3.45 0.00 0.00 179.45 177.22 2dmz s SER 52 N -6.04 -0.06 -0.17 4.20 0.01 -1.18 -4.92 113.70 105.54 2dmz s SER 52 Ca -0.13 -0.90 -0.04 0.00 1.31 0.00 0.00 55.95 56.19 2dmz s SER 52 Cb 0.15 0.74 0.07 0.00 0.21 0.00 0.00 66.02 67.19 2dmz s SER 52 CO 0.80 -1.44 0.14 -0.69 0.41 0.00 0.00 173.24 172.46 2dmz s VAL 53 N -2.69 -0.19 0.33 3.43 1.01 -1.26 -1.32 120.40 119.71 2dmz s VAL 53 Ca 0.15 -0.07 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 2dmz s VAL 53 Cb -0.05 -0.56 -0.11 0.00 0.00 0.00 0.00 36.38 35.66 2dmz s VAL 53 CO 0.09 -0.20 1.55 -0.38 0.00 0.00 0.00 175.10 176.16 2dmz n ILE 54 N 5.30 1.44 -1.23 2.22 -0.00 -1.04 -4.91 119.36 121.13 2dmz n ILE 54 Ca -0.06 -0.36 -0.30 0.00 -0.00 0.00 0.00 62.75 62.03 2dmz n ILE 54 Cb 0.49 -1.97 0.12 0.00 -0.00 0.00 0.00 39.64 38.28 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 -1.19 1.70 -1.35 0.38 0.04 -1.26 -3.33 135.00 129.98 2dmz s PRO 55 Ca 0.59 0.98 0.00 0.00 0.04 0.00 0.00 61.00 62.61 2dmz s PRO 55 Cb -0.49 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.21 2dmz s PRO 55 CO 0.55 -1.98 0.00 0.41 0.04 0.00 0.00 177.00 176.02 2dmz n GLY 56 N -1.16 1.16 3.88 0.56 0.00 -1.26 -4.92 105.19 103.45 2dmz n GLY 56 Ca 0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.09 5.42 0.21 1.61 1.04 -1.21 -4.90 113.70 113.78 2dmz s SER 57 Ca 0.00 -0.45 -0.13 0.00 0.48 0.00 0.00 55.95 55.86 2dmz s SER 57 Cb 0.00 -1.00 0.25 0.00 0.10 0.00 0.00 66.02 65.37 2dmz s SER 57 CO 0.00 -0.39 1.64 0.00 0.98 0.00 0.00 173.24 175.47 2dmz h ALA 58 N 1.16 0.48 0.48 5.32 0.00 -1.44 0.12 119.26 125.38 2dmz h ALA 58 Ca -0.45 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 2dmz h ALA 58 Cb 1.26 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 2dmz h ALA 58 CO 0.57 -0.42 -0.31 0.00 0.00 0.00 0.00 179.25 179.10 2dmz h ALA 59 N 1.59 -0.76 0.27 0.00 0.00 -1.64 -1.06 119.26 117.66 2dmz h ALA 59 Ca 0.30 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2dmz h ALA 59 Cb 0.48 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2dmz h ALA 59 CO -0.59 -0.94 -0.43 -0.92 0.00 0.00 0.00 179.25 176.37 2dmz h TYR 60 N -0.76 -1.22 -0.61 0.00 3.20 -1.55 -2.14 116.97 113.90 2dmz h TYR 60 Ca -0.05 0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.94 2dmz h TYR 60 Cb 0.62 0.50 -0.12 0.00 1.54 0.00 0.00 36.73 39.27 2dmz h TYR 60 CO -0.10 -0.53 -0.34 0.45 -1.64 0.00 0.00 178.16 175.99 2dmz h HIS 61 N -0.74 -0.96 -0.38 -3.82 3.86 -0.80 -1.84 115.15 110.48 2dmz h HIS 61 Ca -0.03 0.07 0.04 0.00 -1.16 0.00 0.00 60.37 59.30 2dmz h HIS 61 Cb 0.68 0.51 -0.07 0.00 1.06 0.00 0.00 27.41 29.59 2dmz h HIS 61 CO -0.32 -0.39 -0.50 -0.97 0.86 0.00 0.00 177.93 176.62 2dmz h ASN 62 N -0.16 -1.67 0.00 2.45 -1.24 -0.89 -3.46 115.58 110.61 2dmz h ASN 62 Ca 0.23 0.22 0.00 0.00 0.71 0.00 0.00 56.30 57.46 2dmz h ASN 62 Cb 0.55 0.69 0.00 0.00 0.73 0.00 0.00 38.32 40.29 2dmz h ASN 62 CO -0.70 -0.36 0.00 0.61 -1.29 0.00 0.00 177.43 175.70 2dmz n GLY 63 N -1.33 0.65 0.07 1.57 0.00 -0.69 -4.95 105.19 100.50 2dmz n GLY 63 Ca -0.03 -0.62 -0.09 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 -2.56 0.00 -3.52 1.61 8.25 -1.26 -4.94 115.22 112.80 2dmz n HIS 64 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 2dmz n HIS 64 Cb 0.00 -0.58 -0.10 0.00 1.12 0.00 0.00 29.99 30.43 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 -2.30 5.27 0.31 1.59 1.01 -1.26 -5.07 121.20 120.75 2dmz s ILE 65 Ca -0.15 0.07 0.04 0.00 0.00 0.00 0.00 60.65 60.61 2dmz s ILE 65 Cb 0.05 -3.65 -0.06 0.00 0.01 0.00 0.00 42.46 38.80 2dmz s ILE 65 CO 0.40 0.11 0.05 -1.10 0.00 0.00 0.00 174.94 174.40 2dmz s GLN 66 N 1.82 1.62 1.26 2.79 1.11 -1.26 -4.74 119.66 122.25 2dmz s GLN 66 Ca 0.08 -1.89 -0.19 0.00 0.01 0.00 0.00 55.36 53.38 2dmz s GLN 66 Cb -0.17 -0.83 0.31 0.00 -1.01 0.00 0.00 33.01 31.31 2dmz s GLN 66 CO 0.11 -0.18 1.03 0.14 0.01 0.00 0.00 175.29 176.40 2dmz s VAL 67 N -3.32 1.56 -1.66 1.09 -7.23 -1.26 -3.91 120.40 105.66 2dmz s VAL 67 Ca 0.36 0.00 -0.02 0.00 -1.81 0.00 0.00 61.98 60.51 2dmz s VAL 67 Cb 0.08 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.75 2dmz s VAL 67 CO 0.15 0.00 0.23 0.59 -0.31 0.00 0.00 175.10 175.76 2dmz n ASN 68 N -5.06 -5.90 -4.49 4.85 3.02 -1.23 -4.95 115.26 101.49 2dmz n ASN 68 Ca 0.11 -0.12 -0.25 0.00 -0.03 0.00 0.00 54.58 54.29 2dmz n ASN 68 Cb 0.59 -4.84 -0.10 0.00 -0.61 0.00 0.00 39.78 34.82 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 -2.33 3.62 -0.16 6.41 1.11 -1.25 -5.00 116.67 119.07 2dmz s ASP 69 Ca 0.12 -1.09 0.02 0.00 0.18 0.00 0.00 52.55 51.77 2dmz s ASP 69 Cb -0.05 -0.31 0.02 0.00 1.07 0.00 0.00 42.92 43.64 2dmz s ASP 69 CO 0.14 -0.05 -0.21 -0.75 1.18 0.00 0.00 175.17 175.49 2dmz s LYS 70 N -3.55 2.96 -0.03 8.23 2.36 -1.26 -2.85 119.74 125.60 2dmz s LYS 70 Ca 0.31 -0.82 -0.18 0.00 -2.55 0.00 0.00 55.97 52.72 2dmz s LYS 70 Cb -0.02 -2.48 -0.05 0.00 -1.05 0.00 0.00 37.83 34.23 2dmz s LYS 70 CO 0.15 -0.12 0.51 0.42 1.55 0.00 0.00 175.35 177.86 2dmz s ILE 71 N 1.09 5.01 -0.04 5.43 1.01 -0.83 -1.67 121.20 131.19 2dmz s ILE 71 Ca -0.00 1.05 0.08 0.00 0.00 0.00 0.00 60.65 61.77 2dmz s ILE 71 Cb -0.14 -3.84 -0.11 0.00 0.01 0.00 0.00 42.46 38.38 2dmz s ILE 71 CO -0.08 0.44 0.11 1.33 0.00 0.00 0.00 174.94 176.74 2dmz n VAL 72 N 2.73 0.24 -3.69 2.92 0.24 -0.61 -4.44 118.33 115.72 2dmz n VAL 72 Ca -0.09 -0.25 -0.14 0.00 -2.04 0.00 0.00 64.34 61.82 2dmz n VAL 72 Cb 0.51 -0.18 -0.09 0.00 -1.47 0.00 0.00 33.84 32.61 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 -2.40 -1.32 -0.14 2.33 0.00 -1.16 -2.14 121.76 116.92 2dmz s ALA 73 Ca -0.03 1.47 0.02 0.00 0.00 0.00 0.00 51.96 53.41 2dmz s ALA 73 Cb 0.04 -0.82 0.02 0.00 0.00 0.00 0.00 23.12 22.36 2dmz s ALA 73 CO 0.33 -0.26 -0.18 0.08 0.00 0.00 0.00 175.76 175.74 2dmz s VAL 74 N 0.18 1.80 -1.81 0.00 1.01 0.04 0.48 120.40 122.10 2dmz s VAL 74 Ca -0.01 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.17 2dmz s VAL 74 Cb -0.04 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.71 2dmz s VAL 74 CO 0.01 0.50 0.00 -0.67 0.00 0.00 0.00 175.10 174.94 2dmz n ASP 75 N 4.37 -5.88 0.00 3.32 2.03 0.17 -1.15 116.55 119.41 2dmz n ASP 75 Ca -0.19 0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.14 2dmz n ASP 75 Cb 0.51 -4.92 0.00 0.00 -0.72 0.00 0.00 41.12 35.99 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 -0.97 0.48 3.14 0.27 0.00 -1.24 -4.86 105.19 102.01 2dmz n GLY 76 Ca -0.25 -0.88 -0.33 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.00 2.37 -0.67 1.61 1.01 -0.30 -5.05 120.40 117.37 2dmz s VAL 77 Ca 0.00 -1.11 -0.26 0.00 0.00 0.00 0.00 61.98 60.61 2dmz s VAL 77 Cb 0.00 -2.16 -0.10 0.00 0.00 0.00 0.00 36.38 34.12 2dmz s VAL 77 CO 0.00 0.30 2.38 0.21 0.00 0.00 0.00 175.10 177.99 2dmz s ASN 78 N 1.26 4.19 -0.05 3.32 2.47 -1.26 -0.78 114.94 124.09 2dmz s ASN 78 Ca 0.00 0.45 0.09 0.00 0.42 0.00 0.00 52.86 53.82 2dmz s ASN 78 Cb -0.16 -2.53 0.35 0.00 -1.45 0.00 0.00 41.25 37.46 2dmz s ASN 78 CO -0.08 -3.40 1.19 2.30 -3.72 0.00 0.00 177.10 173.39 2dmz n ILE 79 N 8.39 0.83 -1.55 -5.21 -5.35 -0.91 -4.86 119.36 110.70 2dmz n ILE 79 Ca 0.42 -0.55 -0.20 0.00 -0.27 0.00 0.00 62.75 62.15 2dmz n ILE 79 Cb 0.48 -0.04 -0.09 0.00 -1.74 0.00 0.00 39.64 38.26 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 0.43 0.55 0.00 6.28 6.02 -1.14 -0.04 117.38 129.47 2dmz n GLN 80 Ca 0.12 -0.55 0.00 0.00 -0.01 0.00 0.00 57.00 56.56 2dmz n GLN 80 Cb 0.47 -3.20 0.00 0.00 1.02 0.00 0.00 30.24 28.53 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 6.48 2.03 3.58 1.08 0.00 -1.26 -5.08 105.19 112.02 2dmz n GLY 81 Ca 0.49 0.00 -0.53 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 -0.26 1.42 -1.61 1.61 3.01 0.94 -4.89 117.46 117.68 2dmz n PHE 82 Ca 0.00 0.68 -0.35 0.00 1.01 0.00 0.00 57.45 58.79 2dmz n PHE 82 Cb 0.00 -2.31 0.08 0.00 -0.01 0.00 0.00 39.48 37.24 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 0.41 2.26 0.04 4.37 0.00 -1.26 -4.65 121.76 122.93 2dmz s ALA 83 Ca 0.85 0.94 -0.07 0.00 0.00 0.00 0.00 51.96 53.67 2dmz s ALA 83 Cb -0.98 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 18.65 2dmz s ALA 83 CO 0.48 -1.67 0.85 -1.71 0.00 0.00 0.00 175.76 173.71 2dmz n ASN 84 N -2.36 -0.25 -0.09 0.00 2.85 -1.26 0.01 115.26 114.16 2dmz n ASN 84 Ca 0.14 0.91 -0.07 0.00 -0.11 0.00 0.00 54.58 55.44 2dmz n ASN 84 Cb 0.50 -0.30 0.00 0.00 1.24 0.00 0.00 39.78 41.22 2dmz n ASN 84 CO 0.00 0.00 0.00 1.12 -2.11 0.00 0.00 177.26 176.27 2dmz h HIS 85 N 0.00 0.19 -0.93 1.20 2.07 -2.00 -0.95 115.15 114.72 2dmz h HIS 85 Ca 0.04 0.02 0.27 0.00 -2.85 0.00 0.00 60.37 57.84 2dmz h HIS 85 Cb 0.10 -0.04 -0.04 0.00 2.57 0.00 0.00 27.41 30.00 2dmz h HIS 85 CO -0.70 0.08 0.83 -0.44 -3.07 0.00 0.00 177.93 174.63 2dmz h ASP 86 N 0.24 0.00 0.57 3.10 3.32 -0.74 0.76 116.42 123.66 2dmz h ASP 86 Ca 0.14 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.91 2dmz h ASP 86 Cb 0.11 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 2dmz h ASP 86 CO -0.15 0.00 -1.53 0.58 -1.72 0.00 0.00 179.24 176.42 2dmz h VAL 87 N 0.00 1.10 0.04 -1.35 2.07 0.46 -3.32 116.25 115.24 2dmz h VAL 87 Ca 0.44 -2.86 -0.00 0.00 0.82 0.00 0.00 66.70 65.10 2dmz h VAL 87 Cb 2.10 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 34.47 2dmz h VAL 87 CO -0.00 0.71 -0.02 0.58 0.02 0.00 0.00 177.57 178.85 2dmz h VAL 88 N 0.02 0.97 -0.90 2.57 2.07 0.10 -2.52 116.25 118.56 2dmz h VAL 88 Ca -0.22 -0.03 0.09 0.00 0.82 0.00 0.00 66.70 67.35 2dmz h VAL 88 Cb 1.96 1.00 -0.06 0.00 -1.52 0.00 0.00 31.29 32.66 2dmz h VAL 88 CO 0.11 0.01 0.58 1.05 0.02 0.00 0.00 177.57 179.34 2dmz h GLU 89 N -0.07 0.91 -0.18 1.57 4.11 -1.58 -2.04 114.58 117.30 2dmz h GLU 89 Ca -0.01 -0.05 0.01 0.00 0.07 0.00 0.00 59.36 59.38 2dmz h GLU 89 Cb 0.05 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 2dmz h GLU 89 CO 0.01 0.60 0.08 0.28 0.07 0.00 0.00 179.01 180.05 2dmz h VAL 90 N 0.94 0.99 -0.82 -1.06 2.07 -1.57 -1.14 116.25 115.66 2dmz h VAL 90 Ca 0.41 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.90 2dmz h VAL 90 Cb 0.35 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 2dmz h VAL 90 CO -0.17 0.03 0.52 -0.07 0.02 0.00 0.00 177.57 177.90 2dmz h LEU 91 N 0.18 0.86 -0.93 2.57 3.38 -0.99 -1.81 115.31 118.57 2dmz h LEU 91 Ca 0.07 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2dmz h LEU 91 Cb 0.02 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 2dmz h LEU 91 CO -0.05 0.59 0.23 0.03 0.09 0.00 0.00 178.44 179.32 2dmz h ARG 92 N 1.01 1.01 -0.62 1.13 3.08 -1.04 -2.66 114.38 116.29 2dmz h ARG 92 Ca 0.33 -0.19 -0.07 0.00 0.07 0.00 0.00 59.98 60.12 2dmz h ARG 92 Cb 0.02 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 2dmz h ARG 92 CO -0.12 0.85 0.12 -0.91 -1.07 0.00 0.00 179.97 178.85 2dmz h ASN 93 N 0.98 0.94 -3.71 7.04 2.35 -0.46 -3.44 115.58 119.28 2dmz h ASN 93 Ca 0.22 -0.20 -0.56 0.00 -0.55 0.00 0.00 56.30 55.21 2dmz h ASN 93 Cb 0.25 -0.25 0.14 0.00 0.05 0.00 0.00 38.32 38.51 2dmz h ASN 93 CO -0.01 0.93 0.43 0.00 -1.65 0.00 0.00 177.43 177.13 2dmz n ALA 94 N -2.46 1.09 -1.98 -0.83 0.00 -0.75 -5.02 120.51 110.55 2dmz n ALA 94 Ca 0.04 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2dmz n ALA 94 Cb 0.26 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.46 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 0.92 1.87 0.37 0.00 0.00 -1.26 -4.97 105.19 102.12 2dmz n GLY 95 Ca 0.10 -2.02 -0.02 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.04 -6.59 1.61 4.15 -1.92 -3.32 115.11 109.00 2dmz h GLN 96 Ca 0.00 0.00 -0.55 0.00 0.77 0.00 0.00 58.65 58.87 2dmz h GLN 96 Cb 0.00 0.01 -0.07 0.00 0.21 0.00 0.00 27.48 27.63 2dmz h GLN 96 CO 0.00 -0.03 0.99 0.08 -1.93 0.00 0.00 178.83 177.94 2dmz s VAL 97 N -5.98 4.03 -0.38 2.39 1.01 -1.26 -3.23 120.40 116.98 2dmz s VAL 97 Ca -0.14 0.96 -0.01 0.00 0.00 0.00 0.00 61.98 62.78 2dmz s VAL 97 Cb 0.20 -4.64 0.10 0.00 0.00 0.00 0.00 36.38 32.03 2dmz s VAL 97 CO 0.71 -1.22 0.14 -0.69 0.00 0.00 0.00 175.10 174.04 2dmz s VAL 98 N 4.98 3.04 -0.83 2.92 1.01 -1.03 -4.96 120.40 125.54 2dmz s VAL 98 Ca 0.46 -2.00 -0.22 0.00 0.00 0.00 0.00 61.98 60.22 2dmz s VAL 98 Cb -0.08 -3.06 0.08 0.00 0.00 0.00 0.00 36.38 33.32 2dmz s VAL 98 CO 0.27 -0.58 1.15 -1.00 0.00 0.00 0.00 175.10 174.94 2dmz s HIS 99 N 1.11 2.76 -0.26 5.22 3.76 -1.25 -1.58 115.29 125.05 2dmz s HIS 99 Ca 0.07 -0.84 -0.24 0.00 -0.15 0.00 0.00 55.06 53.89 2dmz s HIS 99 Cb -0.22 -4.40 -0.00 0.00 1.11 0.00 0.00 32.58 29.07 2dmz s HIS 99 CO -0.04 -1.70 0.81 -1.17 -0.85 0.00 0.00 174.74 171.78 2dmz s LEU 100 N 3.94 4.08 -0.35 0.89 1.98 0.30 0.46 118.68 129.98 2dmz s LEU 100 Ca 0.32 0.91 -0.17 0.00 -2.89 0.00 0.00 54.13 52.29 2dmz s LEU 100 Cb -0.09 -3.14 -0.00 0.00 0.66 0.00 0.00 46.19 43.63 2dmz s LEU 100 CO 0.00 -0.54 0.47 -0.89 -1.89 0.00 0.00 176.35 173.50 2dmz s THR 101 N 2.86 5.06 0.39 3.68 2.01 0.18 -0.68 115.64 129.13 2dmz s THR 101 Ca 0.34 0.21 0.08 0.00 0.31 0.00 0.00 61.69 62.62 2dmz s THR 101 Cb -0.15 -3.94 -0.07 0.00 0.01 0.00 0.00 72.50 68.35 2dmz s THR 101 CO 0.09 -0.21 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.05 2dmz s LEU 102 N 2.28 2.87 -0.24 4.42 1.02 -0.79 -1.57 118.68 126.68 2dmz s LEU 102 Ca 0.16 -1.26 -0.03 0.00 0.02 0.00 0.00 54.13 53.02 2dmz s LEU 102 Cb -0.16 -1.02 0.13 0.00 0.02 0.00 0.00 46.19 45.16 2dmz s LEU 102 CO 0.13 -0.38 0.39 0.54 0.02 0.00 0.00 176.35 177.05 2dmz s VAL 103 N -2.66 -0.61 0.05 -1.59 0.11 -0.67 -1.91 120.40 113.12 2dmz s VAL 103 Ca 0.35 -0.03 0.05 0.00 -2.93 0.00 0.00 61.98 59.42 2dmz s VAL 103 Cb 0.07 -0.79 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 2dmz s VAL 103 CO 0.18 -0.09 -0.06 -0.13 -3.33 0.00 0.00 175.10 171.67 2dmz s ARG 104 N 2.56 2.42 0.04 1.54 0.52 -1.08 -4.18 118.95 120.76 2dmz s ARG 104 Ca 0.11 -0.84 -0.30 0.00 -0.52 0.00 0.00 55.73 54.17 2dmz s ARG 104 Cb -0.15 -2.45 -0.08 0.00 0.52 0.00 0.00 34.95 32.80 2dmz s ARG 104 CO -0.15 0.56 1.63 0.50 0.02 0.00 0.00 175.30 177.86 2dmz s ARG 105 N -1.86 4.20 0.10 3.54 3.52 -1.26 -0.22 118.95 126.98 2dmz s ARG 105 Ca 0.20 2.28 -0.18 0.00 -0.13 0.00 0.00 55.73 57.89 2dmz s ARG 105 Cb -0.11 -3.67 -0.06 0.00 -1.56 0.00 0.00 34.95 29.54 2dmz s ARG 105 CO 0.12 -0.74 1.61 0.87 -0.81 0.00 0.00 175.30 176.35 2dmz h LYS 106 N 8.51 0.42 -5.19 5.12 1.57 -0.55 -3.45 116.57 123.01 2dmz h LYS 106 Ca -0.42 -0.09 -0.72 0.00 -1.87 0.00 0.00 60.65 57.55 2dmz h LYS 106 Cb 1.20 -0.06 0.03 0.00 0.08 0.00 0.00 32.23 33.47 2dmz h LYS 106 CO 0.93 0.50 0.32 2.41 -0.57 0.00 0.00 179.45 183.04 2dmz n THR 107 N -4.72 0.00 -4.20 -0.16 -1.04 -1.25 -4.91 114.28 98.00 2dmz n THR 107 Ca -0.03 0.00 -0.35 0.00 -2.04 0.00 0.00 64.05 61.63 2dmz n THR 107 Cb 0.17 -0.21 -0.09 0.00 -1.82 0.00 0.00 70.33 68.37 2dmz n THR 107 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2dmz s SER 108 N 1.28 5.48 0.21 8.00 0.01 -1.26 -5.10 113.70 122.32 2dmz s SER 108 Ca 0.85 0.15 -0.18 0.00 1.31 0.00 0.00 55.95 58.08 2dmz s SER 108 Cb -1.20 -1.73 -0.08 0.00 0.21 0.00 0.00 66.02 63.22 2dmz s SER 108 CO 0.60 0.31 0.67 -0.55 0.41 0.00 0.00 173.24 174.68 2dmz s SER 109 N -0.44 6.96 -0.25 2.44 0.15 -1.26 -5.01 113.70 116.30 2dmz s SER 109 Ca 0.09 1.31 -0.12 0.00 0.70 0.00 0.00 55.95 57.92 2dmz s SER 109 Cb -0.12 -2.38 -0.11 0.00 -1.71 0.00 0.00 66.02 61.70 2dmz s SER 109 CO 0.02 0.03 -0.32 -1.20 1.20 0.00 0.00 173.24 172.97 2dmz n SER 110 N 0.64 1.78 -4.42 5.45 7.64 -1.26 -4.97 113.62 118.48 2dmz n SER 110 Ca -0.03 0.30 -0.38 0.00 1.01 0.00 0.00 58.87 59.77 2dmz n SER 110 Cb 0.51 -0.74 0.03 0.00 -1.01 0.00 0.00 64.21 63.01 2dmz n SER 110 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2dmz n THR 111 N -4.11 1.75 -1.32 0.44 5.66 -1.26 -4.62 114.28 110.82 2dmz n THR 111 Ca -0.50 -0.50 -0.58 0.00 -3.05 0.00 0.00 64.05 59.42 2dmz n THR 111 Cb 0.85 -0.52 -0.11 0.00 -1.55 0.00 0.00 70.33 69.00 2dmz n THR 111 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2dmz n SER 112 N 0.95 1.11 -2.95 1.09 2.88 -1.26 -4.91 113.62 110.53 2dmz n SER 112 Ca 0.11 0.64 0.00 0.00 -1.33 0.00 0.00 58.87 58.29 2dmz n SER 112 Cb 0.47 -0.99 0.00 0.00 -0.75 0.00 0.00 64.21 62.95 2dmz n SER 112 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2dmz n PRO 113 N 7.52 -0.13 0.10 -1.46 -0.04 -1.26 -4.98 135.00 134.75 2dmz n PRO 113 Ca 0.51 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.74 2dmz n PRO 113 Cb 0.02 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.34 2dmz n PRO 113 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2dmz h LEU 114 N 0.00 0.78 -6.25 1.53 4.07 -2.02 -3.40 115.31 110.02 2dmz h LEU 114 Ca 0.00 -0.87 -0.58 0.00 0.08 0.00 0.00 57.88 56.50 2dmz h LEU 114 Cb 0.00 -0.25 -0.40 0.00 1.08 0.00 0.00 40.66 41.09 2dmz h LEU 114 CO 0.00 1.59 -0.91 -1.84 -1.08 0.00 0.00 178.44 176.19 2dmz n GLU 115 N -3.86 1.06 -2.26 1.13 0.28 -1.26 -5.12 120.64 110.62 2dmz n GLU 115 Ca -0.15 -3.64 -0.37 0.00 -0.16 0.00 0.00 57.16 52.84 2dmz n GLU 115 Cb 0.98 -1.66 -0.01 0.00 1.43 0.00 0.00 31.44 32.18 2dmz n GLU 115 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2dmz s PRO 116 N -1.15 3.82 1.03 3.44 0.04 -1.26 -5.04 135.00 135.88 2dmz s PRO 116 Ca 0.34 1.80 -0.17 0.00 0.04 0.00 0.00 61.00 63.01 2dmz s PRO 116 Cb 0.11 -2.47 0.26 0.00 0.04 0.00 0.00 34.50 32.43 2dmz s PRO 116 CO -0.12 -0.51 0.91 -0.35 0.04 0.00 0.00 177.00 176.97 2dmz n PRO 117 N -0.36 -2.81 -3.78 0.56 -0.04 -1.26 -3.96 135.00 123.36 2dmz n PRO 117 Ca 0.07 -1.46 -0.27 0.00 -0.04 0.00 0.00 63.50 61.80 2dmz n PRO 117 Cb 0.48 -1.37 -0.07 0.00 -0.04 0.00 0.00 33.50 32.50 2dmz n PRO 117 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2dmz n SER 118 N -4.57 -0.32 -3.75 3.54 3.41 -1.26 -4.88 113.62 105.80 2dmz n SER 118 Ca 0.13 -0.92 -0.13 0.00 -0.26 0.00 0.00 58.87 57.68 2dmz n SER 118 Cb 0.49 -1.16 -0.14 0.00 -0.26 0.00 0.00 64.21 63.14 2dmz n SER 118 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2dmz s ASP 119 N -3.33 -0.15 0.50 4.04 2.15 -1.25 -5.15 116.67 113.47 2dmz s ASP 119 Ca 0.31 0.35 -0.18 0.00 0.43 0.00 0.00 52.55 53.47 2dmz s ASP 119 Cb -0.18 0.25 -0.08 0.00 -0.30 0.00 0.00 42.92 42.61 2dmz s ASP 119 CO 0.74 -0.15 0.98 -0.13 -0.17 0.00 0.00 175.17 176.45 2dmz s ARG 120 N 1.13 3.96 1.10 4.34 0.52 -1.26 -4.99 118.95 123.75 2dmz s ARG 120 Ca -0.09 1.03 -0.19 0.00 -0.52 0.00 0.00 55.73 55.96 2dmz s ARG 120 Cb -0.11 -2.14 0.27 0.00 0.52 0.00 0.00 34.95 33.50 2dmz s ARG 120 CO -0.06 -0.26 1.06 0.41 0.02 0.00 0.00 175.30 176.47 2dmz n GLY 121 N -1.28 -2.50 3.79 -3.53 0.00 -1.26 -5.01 105.19 95.39 2dmz n GLY 121 Ca 0.07 -1.53 -0.39 0.00 0.00 0.00 0.00 46.02 44.17 2dmz n GLY 121 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2dmz s THR 122 N -3.01 4.45 -1.47 2.61 -1.32 -1.26 -4.09 115.64 111.55 2dmz s THR 122 Ca 0.67 1.58 -0.10 0.00 -1.21 0.00 0.00 61.69 62.63 2dmz s THR 122 Cb -0.06 -4.07 0.10 0.00 -1.51 0.00 0.00 72.50 66.96 2dmz s THR 122 CO 0.50 0.51 0.25 1.33 -2.21 0.00 0.00 174.62 175.00 2dmz n VAL 123 N 1.56 -0.44 -0.34 5.08 0.24 -1.26 -4.76 118.33 118.41 2dmz n VAL 123 Ca -0.06 -0.22 0.09 0.00 -2.04 0.00 0.00 64.34 62.10 2dmz n VAL 123 Cb 0.49 -0.65 0.26 0.00 -1.47 0.00 0.00 33.84 32.47 2dmz n VAL 123 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 2dmz h SER 124 N -1.08 0.78 -4.08 -1.34 0.87 -1.97 -3.43 113.55 103.29 2dmz h SER 124 Ca -0.54 0.07 -0.49 0.00 -1.23 0.00 0.00 61.79 59.61 2dmz h SER 124 Cb 1.20 -0.07 0.15 0.00 -0.44 0.00 0.00 62.40 63.24 2dmz h SER 124 CO 0.69 0.35 0.25 -0.83 -0.53 0.00 0.00 176.83 176.75 2dmz s GLY 125 N -3.56 1.63 0.00 5.77 0.00 -1.26 -4.88 107.32 105.01 2dmz s GLY 125 Ca -0.12 0.04 0.11 0.00 0.00 0.00 0.00 44.72 44.76 2dmz s GLY 125 CO 0.80 0.51 1.10 -1.55 0.00 0.00 0.00 173.10 173.97 2dmz n PRO 126 N -3.91 0.49 -0.30 2.90 -0.04 -1.26 -4.13 135.00 128.74 2dmz n PRO 126 Ca 0.07 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.47 2dmz n PRO 126 Cb 0.55 -1.36 -0.05 0.00 -0.04 0.00 0.00 33.50 32.60 2dmz n PRO 126 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dmz n SER 127 N -0.86 -0.69 -4.67 3.54 2.88 -1.26 -3.93 113.62 108.63 2dmz n SER 127 Ca 0.08 1.28 -0.42 0.00 -1.33 0.00 0.00 58.87 58.48 2dmz n SER 127 Cb 0.04 -0.20 -0.03 0.00 -0.75 0.00 0.00 64.21 63.27 2dmz n SER 127 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dmz s SER 128 N -5.34 7.01 0.00 -3.46 1.04 -1.26 -5.23 113.70 106.47 2dmz s SER 128 Ca -0.09 1.25 0.00 0.00 0.48 0.00 0.00 55.95 57.59 2dmz s SER 128 Cb 0.10 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.73 2dmz s SER 128 CO 0.46 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.81