#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 0.45 -0.25 1.61 0.15 -1.26 -5.14 113.70 109.26 2dmz s SER 2 Ca 0.00 0.23 -0.13 0.00 0.70 0.00 0.00 55.95 56.75 2dmz s SER 2 Cb 0.00 0.12 0.08 0.00 -1.71 0.00 0.00 66.02 64.51 2dmz s SER 2 CO 0.00 -0.20 0.61 -0.44 1.20 0.00 0.00 173.24 174.41 2dmz s SER 3 N 1.74 -0.84 0.54 5.45 0.01 -1.26 -5.17 113.70 114.17 2dmz s SER 3 Ca -0.02 1.36 0.04 0.00 1.31 0.00 0.00 55.95 58.64 2dmz s SER 3 Cb -0.12 1.37 0.04 0.00 0.21 0.00 0.00 66.02 67.53 2dmz s SER 3 CO -0.05 -0.23 0.74 -0.83 0.41 0.00 0.00 173.24 173.29 2dmz s GLY 4 N 1.82 1.84 -0.12 3.44 0.00 -1.26 -5.11 107.32 107.93 2dmz s GLY 4 Ca -0.09 -1.58 0.01 0.00 0.00 0.00 0.00 44.72 43.06 2dmz s GLY 4 CO -0.18 -1.27 -0.12 -0.45 0.00 0.00 0.00 173.10 171.08 2dmz s SER 5 N -4.47 2.36 0.54 1.64 0.15 -1.26 -5.14 113.70 107.52 2dmz s SER 5 Ca 0.58 -0.39 -0.07 0.00 0.70 0.00 0.00 55.95 56.77 2dmz s SER 5 Cb -0.09 -1.01 -0.03 0.00 -1.71 0.00 0.00 66.02 63.18 2dmz s SER 5 CO 0.38 -0.05 0.88 -0.44 1.20 0.00 0.00 173.24 175.21 2dmz s SER 6 N 1.32 6.09 0.00 5.45 0.01 -1.26 -5.10 113.70 120.22 2dmz s SER 6 Ca -0.00 1.01 0.00 0.00 1.31 0.00 0.00 55.95 58.26 2dmz s SER 6 Cb -0.14 -2.18 0.00 0.00 0.21 0.00 0.00 66.02 63.91 2dmz s SER 6 CO -0.06 -0.77 0.00 0.61 0.41 0.00 0.00 173.24 173.43 2dmz n GLY 7 N -2.47 3.82 2.75 3.44 0.00 -1.26 -5.12 105.19 106.36 2dmz n GLY 7 Ca 0.03 -1.96 -0.06 0.00 0.00 0.00 0.00 46.02 44.03 2dmz n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dmz n GLY 8 N 5.00 -0.29 3.51 -0.02 0.00 -1.26 -5.15 105.19 106.98 2dmz n GLY 8 Ca 0.00 0.31 -0.24 0.00 0.00 0.00 0.00 46.02 46.08 2dmz n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dmz s SER 9 N -0.20 3.36 -1.08 1.61 0.01 -1.26 -5.06 113.70 111.09 2dmz s SER 9 Ca 0.31 -1.23 -0.22 0.00 1.31 0.00 0.00 55.95 56.12 2dmz s SER 9 Cb 0.10 -0.28 0.03 0.00 0.21 0.00 0.00 66.02 66.08 2dmz s SER 9 CO -0.13 -0.30 1.61 -1.81 0.41 0.00 0.00 173.24 173.01 2dmz s ASP 10 N -3.56 6.33 -0.03 2.44 1.01 -1.26 -4.95 116.67 116.65 2dmz s ASP 10 Ca 0.32 -1.59 0.07 0.00 0.71 0.00 0.00 52.55 52.06 2dmz s ASP 10 Cb 0.04 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 2dmz s ASP 10 CO 0.15 -1.67 -0.24 -0.94 0.21 0.00 0.00 175.17 172.68 2dmz s SER 11 N 5.28 2.81 -1.29 0.27 1.04 -1.26 -4.76 113.70 115.79 2dmz s SER 11 Ca 0.52 -0.44 -0.07 0.00 0.48 0.00 0.00 55.95 56.44 2dmz s SER 11 Cb 0.00 -0.45 -0.00 0.00 0.10 0.00 0.00 66.02 65.66 2dmz s SER 11 CO -0.03 0.27 0.61 -1.20 0.98 0.00 0.00 173.24 173.86 2dmz n SER 12 N 2.65 -2.12 -0.34 7.02 7.64 -1.26 -4.83 113.62 122.37 2dmz n SER 12 Ca -0.16 -0.96 0.15 0.00 1.01 0.00 0.00 58.87 58.90 2dmz n SER 12 Cb 0.52 -3.42 0.34 0.00 -1.01 0.00 0.00 64.21 60.65 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 -1.85 0.65-10.35 -3.43 -0.00 -1.98 -3.42 115.31 94.93 2dmz h LEU 13 Ca -0.64 0.12 -0.50 0.00 -0.00 0.00 0.00 57.88 56.87 2dmz h LEU 13 Cb 1.37 0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 42.03 2dmz h LEU 13 CO 0.56 0.15 -0.28 -0.36 -0.00 0.00 0.00 178.44 178.51 2dmz s PHE 14 N -5.83 2.23 -0.06 1.13 0.40 -1.26 -1.76 117.98 112.83 2dmz s PHE 14 Ca -0.11 -0.60 -0.01 0.00 -0.60 0.00 0.00 56.93 55.61 2dmz s PHE 14 Cb 0.26 -2.16 0.03 0.00 0.51 0.00 0.00 43.02 41.66 2dmz s PHE 14 CO 0.79 -0.46 -0.00 -1.83 0.70 0.00 0.00 175.22 174.42 2dmz s GLU 15 N -4.31 0.56 0.20 0.44 4.04 0.16 -4.78 118.70 115.01 2dmz s GLU 15 Ca 0.49 0.08 -0.20 0.00 0.04 0.00 0.00 54.97 55.38 2dmz s GLU 15 Cb -0.05 -0.83 -0.08 0.00 0.02 0.00 0.00 34.13 33.19 2dmz s GLU 15 CO 0.30 -0.23 0.70 0.99 -1.84 0.00 0.00 175.26 175.18 2dmz s THR 16 N 1.61 4.59 -0.08 1.83 2.01 -1.26 -2.37 115.64 121.98 2dmz s THR 16 Ca -0.01 1.27 -0.17 0.00 0.31 0.00 0.00 61.69 63.09 2dmz s THR 16 Cb -0.13 -3.87 0.04 0.00 0.01 0.00 0.00 72.50 68.55 2dmz s THR 16 CO -0.03 0.26 0.42 -0.72 -0.69 0.00 0.00 174.62 173.85 2dmz s TYR 17 N -1.46 -0.37 -0.10 4.92 1.13 0.11 -4.96 117.35 116.62 2dmz s TYR 17 Ca 0.41 0.74 -0.16 0.00 -1.41 0.00 0.00 57.07 56.65 2dmz s TYR 17 Cb -0.17 0.17 -0.05 0.00 -1.10 0.00 0.00 41.96 40.81 2dmz s TYR 17 CO 0.21 -0.37 0.41 0.54 -2.51 0.00 0.00 175.55 173.83 2dmz s ASN 18 N -0.73 6.64 -0.32 -0.18 2.20 -1.26 -1.57 114.94 119.72 2dmz s ASN 18 Ca -0.08 0.76 -0.03 0.00 -0.94 0.00 0.00 52.86 52.56 2dmz s ASN 18 Cb -0.04 -2.25 0.05 0.00 -2.00 0.00 0.00 41.25 37.02 2dmz s ASN 18 CO 0.04 0.10 0.04 -0.69 -2.94 0.00 0.00 177.10 173.65 2dmz s VAL 19 N 0.20 3.25 -0.52 3.54 1.01 -0.46 -4.85 120.40 122.57 2dmz s VAL 19 Ca 0.23 -1.34 -0.26 0.00 0.00 0.00 0.00 61.98 60.61 2dmz s VAL 19 Cb -0.15 -2.88 0.03 0.00 0.00 0.00 0.00 36.38 33.39 2dmz s VAL 19 CO 0.09 -0.16 1.00 -0.70 0.00 0.00 0.00 175.10 175.33 2dmz s GLU 20 N 1.29 3.46 -0.01 2.72 2.12 -1.24 -0.27 118.70 126.77 2dmz s GLU 20 Ca -0.03 0.04 -0.07 0.00 0.36 0.00 0.00 54.97 55.27 2dmz s GLU 20 Cb -0.20 -3.99 -0.05 0.00 0.26 0.00 0.00 34.13 30.15 2dmz s GLU 20 CO -0.00 -1.43 0.25 -0.51 -0.54 0.00 0.00 175.26 173.03 2dmz s LEU 21 N 4.11 4.38 -0.13 2.70 1.43 0.61 -4.87 118.68 126.91 2dmz s LEU 21 Ca 0.36 0.55 -0.04 0.00 -1.03 0.00 0.00 54.13 53.97 2dmz s LEU 21 Cb -0.10 -2.58 -0.03 0.00 0.03 0.00 0.00 46.19 43.51 2dmz s LEU 21 CO 0.24 0.28 0.02 0.54 0.23 0.00 0.00 176.35 177.66 2dmz s VAL 22 N -1.25 4.48 -0.39 -1.59 0.11 -1.26 -2.36 120.40 118.15 2dmz s VAL 22 Ca 0.25 -0.16 -0.09 0.00 -2.93 0.00 0.00 61.98 59.05 2dmz s VAL 22 Cb -0.13 -2.95 0.05 0.00 -1.53 0.00 0.00 36.38 31.82 2dmz s VAL 22 CO 0.14 0.54 0.21 -0.13 -3.33 0.00 0.00 175.10 172.54 2dmz s ARG 23 N -0.31 2.69 1.05 1.54 0.52 -1.23 -4.68 118.95 118.53 2dmz s ARG 23 Ca 0.07 -1.27 -0.15 0.00 -0.52 0.00 0.00 55.73 53.86 2dmz s ARG 23 Cb -0.12 -3.71 0.16 0.00 0.52 0.00 0.00 34.95 31.80 2dmz s ARG 23 CO 0.02 -0.81 0.26 1.63 0.02 0.00 0.00 175.30 176.42 2dmz n LYS 24 N 4.93 -2.25 -2.10 3.54 5.02 -1.26 -4.68 118.16 121.36 2dmz n LYS 24 Ca -0.11 -0.66 -0.29 0.00 -2.02 0.00 0.00 58.31 55.23 2dmz n LYS 24 Cb 0.44 -1.52 -0.06 0.00 -0.02 0.00 0.00 35.03 33.88 2dmz n LYS 24 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2dmz s ASP 25 N -1.99 5.15 0.00 4.39 -4.77 -1.26 -2.79 116.67 115.41 2dmz s ASP 25 Ca 0.41 -1.54 0.00 0.00 -3.30 0.00 0.00 52.55 48.11 2dmz s ASP 25 Cb -0.07 -2.58 0.00 0.00 -1.09 0.00 0.00 42.92 39.18 2dmz s ASP 25 CO 0.40 -2.91 0.00 0.61 0.70 0.00 0.00 175.17 173.97 2dmz n GLY 26 N 5.97 0.96 3.35 2.12 0.00 -1.26 -5.13 105.19 111.20 2dmz n GLY 26 Ca 0.44 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.24 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 0.09 1.33 0.54 1.61 0.74 -1.12 -5.16 119.66 117.69 2dmz s GLN 27 Ca 0.00 -1.44 0.07 0.00 0.05 0.00 0.00 55.36 54.04 2dmz s GLN 27 Cb 0.00 -1.42 0.05 0.00 1.10 0.00 0.00 33.01 32.73 2dmz s GLN 27 CO 0.00 0.29 0.51 -1.12 -0.55 0.00 0.00 175.29 174.42 2dmz s SER 28 N -2.70 4.80 0.00 6.67 0.01 -1.26 -4.68 113.70 116.54 2dmz s SER 28 Ca 0.17 -1.09 -0.02 0.00 1.31 0.00 0.00 55.95 56.33 2dmz s SER 28 Cb -0.06 0.28 -0.01 0.00 0.21 0.00 0.00 66.02 66.45 2dmz s SER 28 CO 0.07 -1.12 0.70 0.25 0.41 0.00 0.00 173.24 173.55 2dmz h LEU 29 N 0.62 -0.05 -0.13 2.44 5.85 -1.97 -3.34 115.31 118.73 2dmz h LEU 29 Ca -0.35 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.37 2dmz h LEU 29 Cb 1.30 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.34 2dmz h LEU 29 CO 0.53 -0.03 0.00 0.61 -0.34 0.00 0.00 178.44 179.21 2dmz n GLY 30 N -0.07 1.19 3.13 3.75 0.00 -1.26 -2.99 105.19 108.94 2dmz n GLY 30 Ca -0.01 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.13 2.48 0.07 -0.61 1.01 -1.26 -0.95 121.20 119.80 2dmz s ILE 31 Ca 0.00 -1.36 -0.29 0.00 0.00 0.00 0.00 60.65 59.00 2dmz s ILE 31 Cb 0.00 -2.36 -0.05 0.00 0.01 0.00 0.00 42.46 40.06 2dmz s ILE 31 CO 0.00 0.08 0.93 -0.13 0.00 0.00 0.00 174.94 175.82 2dmz s ARG 32 N 1.21 4.62 0.35 2.79 1.81 -0.50 -5.00 118.95 124.22 2dmz s ARG 32 Ca -0.04 1.37 0.08 0.00 -1.72 0.00 0.00 55.73 55.42 2dmz s ARG 32 Cb -0.18 -3.40 -0.05 0.00 -0.45 0.00 0.00 34.95 30.87 2dmz s ARG 32 CO -0.05 0.15 0.10 0.96 -0.68 0.00 0.00 175.30 175.77 2dmz s ILE 33 N 0.28 2.81 -0.07 1.52 -4.36 -1.26 -0.83 121.20 119.30 2dmz s ILE 33 Ca 0.47 -1.80 -0.10 0.00 -0.26 0.00 0.00 60.65 58.95 2dmz s ILE 33 Cb -0.22 -2.91 0.02 0.00 1.25 0.00 0.00 42.46 40.60 2dmz s ILE 33 CO 0.28 -0.17 0.26 0.54 0.24 0.00 0.00 174.94 176.09 2dmz s VAL 34 N -2.48 0.02 -1.05 8.37 0.11 -0.03 -4.60 120.40 120.75 2dmz s VAL 34 Ca 0.37 -0.21 -0.10 0.00 -2.93 0.00 0.00 61.98 59.11 2dmz s VAL 34 Cb -0.01 -0.44 0.26 0.00 -1.53 0.00 0.00 36.38 34.66 2dmz s VAL 34 CO 0.21 -0.11 1.05 -0.83 -3.33 0.00 0.00 175.10 172.09 2dmz s GLY 35 N -0.41 3.08 0.91 6.54 0.00 -1.26 -1.82 107.32 114.36 2dmz s GLY 35 Ca -0.05 -3.71 -0.11 0.00 0.00 0.00 0.00 44.72 40.84 2dmz s GLY 35 CO 0.01 1.34 0.92 -1.72 0.00 0.00 0.00 173.10 173.66 2dmz n TYR 36 N 3.09 0.19 0.00 1.90 4.02 -0.29 -4.86 117.16 121.20 2dmz n TYR 36 Ca 0.22 0.35 0.00 0.00 -0.01 0.00 0.00 57.90 58.46 2dmz n TYR 36 Cb 0.41 -1.95 0.00 0.00 -0.02 0.00 0.00 39.34 37.78 2dmz n TYR 36 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2dmz n VAL 37 N -3.89 0.00 -0.42 -0.72 0.31 -1.25 -3.30 118.33 109.06 2dmz n VAL 37 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.44 2dmz n VAL 37 Cb 0.52 -0.36 0.00 0.00 -0.91 0.00 0.00 33.84 33.09 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 1.94 -3.40 3.33 2.92 0.00 -1.22 -4.52 105.19 104.24 2dmz n GLY 38 Ca 0.00 -1.06 -0.19 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.53 0.21 0.28 2.61 -1.32 -1.26 -4.91 115.64 108.71 2dmz s THR 39 Ca 0.00 -2.00 0.10 0.00 -1.21 0.00 0.00 61.69 58.58 2dmz s THR 39 Cb 0.00 -2.48 0.31 0.00 -1.51 0.00 0.00 72.50 68.82 2dmz s THR 39 CO 0.00 0.00 1.27 -1.54 -2.21 0.00 0.00 174.62 172.14 2dmz n SER 40 N -1.14 0.12 -3.30 8.08 3.41 -1.26 -4.48 113.62 115.05 2dmz n SER 40 Ca 0.02 1.35 -0.47 0.00 -0.26 0.00 0.00 58.87 59.52 2dmz n SER 40 Cb 0.64 -0.59 -0.08 0.00 -0.26 0.00 0.00 64.21 63.92 2dmz n SER 40 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2dmz n HIS 41 N -4.96 1.05 -1.40 7.33 -0.00 -1.26 -4.69 115.22 111.29 2dmz n HIS 41 Ca 0.26 0.69 -0.48 0.00 -0.00 0.00 0.00 57.72 58.19 2dmz n HIS 41 Cb 0.86 -1.67 -0.03 0.00 -0.00 0.00 0.00 29.99 29.15 2dmz n HIS 41 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97 2dmz n THR 42 N 4.02 1.97 -2.10 3.57 5.66 -1.26 -3.20 114.28 122.94 2dmz n THR 42 Ca 0.33 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 2dmz n THR 42 Cb -0.04 -0.01 0.00 0.00 -1.55 0.00 0.00 70.33 68.73 2dmz n THR 42 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2dmz n GLY 43 N 2.00 0.85 3.68 1.09 0.00 -1.26 -5.01 105.19 106.53 2dmz n GLY 43 Ca 0.18 -0.56 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 2dmz n GLY 43 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2dmz n GLU 44 N -0.54 1.47 -3.53 1.61 0.28 -1.19 -5.00 120.64 113.73 2dmz n GLU 44 Ca 0.00 0.54 -0.11 0.00 -0.16 0.00 0.00 57.16 57.43 2dmz n GLU 44 Cb 0.44 -2.33 -0.10 0.00 1.43 0.00 0.00 31.44 30.88 2dmz n GLU 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2dmz s ALA 45 N -1.33 -0.88 -0.04 -1.84 0.00 -1.26 -5.03 121.76 111.39 2dmz s ALA 45 Ca 0.69 1.01 0.06 0.00 0.00 0.00 0.00 51.96 53.72 2dmz s ALA 45 Cb -0.46 -1.37 -0.02 0.00 0.00 0.00 0.00 23.12 21.27 2dmz s ALA 45 CO 0.52 -0.95 -0.22 0.45 0.00 0.00 0.00 175.76 175.55 2dmz s SER 46 N 2.51 3.35 0.00 0.00 0.15 -1.26 -3.41 113.70 115.04 2dmz s SER 46 Ca 0.05 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.30 2dmz s SER 46 Cb -0.14 -0.58 0.00 0.00 -1.71 0.00 0.00 66.02 63.60 2dmz s SER 46 CO -0.13 0.31 0.00 0.61 1.20 0.00 0.00 173.24 175.24 2dmz n GLY 47 N 2.50 0.64 3.70 9.45 0.00 -1.21 -4.96 105.19 115.31 2dmz n GLY 47 Ca -0.17 -1.86 -0.40 0.00 0.00 0.00 0.00 46.02 43.59 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 -1.55 4.99 0.11 -0.61 -1.09 -1.26 -1.14 121.20 120.66 2dmz s ILE 48 Ca 0.00 1.51 0.03 0.00 -2.23 0.00 0.00 60.65 59.96 2dmz s ILE 48 Cb 0.00 -4.07 -0.04 0.00 -1.58 0.00 0.00 42.46 36.77 2dmz s ILE 48 CO 0.00 0.18 -0.09 -0.31 -1.23 0.00 0.00 174.94 173.49 2dmz s TYR 49 N 1.23 1.06 -0.66 3.97 1.51 -0.76 -2.29 117.35 121.40 2dmz s TYR 49 Ca 0.38 -0.76 -0.28 0.00 -1.01 0.00 0.00 57.07 55.41 2dmz s TYR 49 Cb -0.17 -0.57 0.03 0.00 -0.11 0.00 0.00 41.96 41.13 2dmz s TYR 49 CO 0.17 -0.02 1.25 0.08 -1.11 0.00 0.00 175.55 175.92 2dmz s VAL 50 N -3.01 3.85 0.17 0.71 1.01 -1.01 -0.85 120.40 121.27 2dmz s VAL 50 Ca 0.10 0.64 -0.09 0.00 0.00 0.00 0.00 61.98 62.62 2dmz s VAL 50 Cb 0.01 -4.80 0.02 0.00 0.00 0.00 0.00 36.38 31.60 2dmz s VAL 50 CO -0.01 -1.59 1.57 0.50 0.00 0.00 0.00 175.10 175.57 2dmz h LYS 51 N 9.92 1.00 -2.86 2.72 1.63 -1.24 -3.25 116.57 124.49 2dmz h LYS 51 Ca -0.27 -0.41 0.08 0.00 -0.85 0.00 0.00 60.65 59.21 2dmz h LYS 51 Cb 1.06 -0.04 -0.07 0.00 -0.60 0.00 0.00 32.23 32.57 2dmz h LYS 51 CO 1.23 1.09 0.28 -1.12 -3.45 0.00 0.00 179.45 177.48 2dmz s SER 52 N -6.70 -0.28 -0.37 4.20 0.01 -1.22 -4.89 113.70 104.44 2dmz s SER 52 Ca -0.11 -0.48 0.01 0.00 1.31 0.00 0.00 55.95 56.67 2dmz s SER 52 Cb 0.13 0.66 0.12 0.00 0.21 0.00 0.00 66.02 67.14 2dmz s SER 52 CO 0.87 -1.20 0.18 -0.69 0.41 0.00 0.00 173.24 172.80 2dmz s VAL 53 N -3.76 1.00 0.06 3.43 1.01 -1.26 -1.42 120.40 119.45 2dmz s VAL 53 Ca 0.10 -1.96 -0.37 0.00 0.00 0.00 0.00 61.98 59.74 2dmz s VAL 53 Cb -0.04 -1.72 -0.18 0.00 0.00 0.00 0.00 36.38 34.43 2dmz s VAL 53 CO 0.03 -0.82 1.10 -0.38 0.00 0.00 0.00 175.10 175.03 2dmz n ILE 54 N 4.14 0.26 -1.25 2.22 -0.00 -0.13 -4.82 119.36 119.78 2dmz n ILE 54 Ca 0.05 -0.07 -0.31 0.00 -0.00 0.00 0.00 62.75 62.42 2dmz n ILE 54 Cb 0.38 -0.30 0.09 0.00 -0.00 0.00 0.00 39.64 39.81 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 0.00 2.24 -1.49 0.38 0.04 -1.26 -3.50 135.00 131.42 2dmz s PRO 55 Ca 0.85 1.17 0.00 0.00 0.04 0.00 0.00 61.00 63.06 2dmz s PRO 55 Cb -1.12 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 31.53 2dmz s PRO 55 CO 0.54 -1.66 0.00 0.41 0.04 0.00 0.00 177.00 176.33 2dmz n GLY 56 N -1.20 -0.12 3.72 0.56 0.00 -1.26 -4.96 105.19 101.92 2dmz n GLY 56 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.11 4.31 0.17 1.61 1.04 -1.23 -4.97 113.70 112.53 2dmz s SER 57 Ca 0.00 -1.16 -0.14 0.00 0.48 0.00 0.00 55.95 55.13 2dmz s SER 57 Cb 0.00 -0.42 0.14 0.00 0.10 0.00 0.00 66.02 65.84 2dmz s SER 57 CO 0.00 -0.54 1.73 0.00 0.98 0.00 0.00 173.24 175.40 2dmz h ALA 58 N 1.48 0.50 0.31 5.32 0.00 -1.66 0.16 119.26 125.38 2dmz h ALA 58 Ca -0.43 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2dmz h ALA 58 Cb 1.25 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 2dmz h ALA 58 CO 0.72 -0.29 -0.22 0.00 0.00 0.00 0.00 179.25 179.46 2dmz h ALA 59 N 1.33 -0.52 -0.54 0.00 0.00 -1.87 -1.75 119.26 115.92 2dmz h ALA 59 Ca 0.22 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.07 2dmz h ALA 59 Cb 0.26 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 2dmz h ALA 59 CO -0.26 -0.81 0.29 -0.92 0.00 0.00 0.00 179.25 177.55 2dmz h TYR 60 N -0.53 0.54 0.20 0.00 3.20 -1.67 -2.62 116.97 116.08 2dmz h TYR 60 Ca -0.03 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.88 2dmz h TYR 60 Cb 0.46 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.52 2dmz h TYR 60 CO -0.12 0.28 -0.46 0.45 -1.64 0.00 0.00 178.16 176.67 2dmz h HIS 61 N 0.57 -1.30 -0.31 -3.82 3.86 -0.46 -2.91 115.15 110.78 2dmz h HIS 61 Ca 0.23 0.03 0.04 0.00 -1.16 0.00 0.00 60.37 59.51 2dmz h HIS 61 Cb 0.11 0.54 -0.08 0.00 1.06 0.00 0.00 27.41 29.04 2dmz h HIS 61 CO -0.09 -0.57 -0.55 -0.97 0.86 0.00 0.00 177.93 176.62 2dmz h ASN 62 N -0.75 -1.80 0.00 2.45 -1.24 -1.13 -3.47 115.58 109.65 2dmz h ASN 62 Ca -0.00 0.23 0.00 0.00 0.71 0.00 0.00 56.30 57.24 2dmz h ASN 62 Cb 0.74 0.73 0.00 0.00 0.73 0.00 0.00 38.32 40.51 2dmz h ASN 62 CO -0.22 -0.43 0.00 0.61 -1.29 0.00 0.00 177.43 176.10 2dmz n GLY 63 N -1.40 1.31 0.01 1.57 0.00 -1.01 -4.98 105.19 100.69 2dmz n GLY 63 Ca -0.04 -0.31 -0.01 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.08 0.00 -3.16 1.61 8.25 -1.26 -4.98 115.22 113.60 2dmz n HIS 64 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 2dmz n HIS 64 Cb 0.13 -0.08 -0.07 0.00 1.12 0.00 0.00 29.99 31.09 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 -2.04 4.95 0.27 1.59 1.01 -1.26 -5.03 121.20 120.68 2dmz s ILE 65 Ca -0.03 0.52 0.02 0.00 0.00 0.00 0.00 60.65 61.17 2dmz s ILE 65 Cb 0.01 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 2dmz s ILE 65 CO 0.05 -0.25 0.24 -1.10 0.00 0.00 0.00 174.94 173.87 2dmz s GLN 66 N 2.57 1.52 1.07 2.79 1.11 -1.26 -4.69 119.66 122.77 2dmz s GLN 66 Ca 0.22 -1.81 -0.12 0.00 0.01 0.00 0.00 55.36 53.66 2dmz s GLN 66 Cb -0.15 0.31 0.22 0.00 -1.01 0.00 0.00 33.01 32.39 2dmz s GLN 66 CO 0.14 -0.55 0.99 1.33 0.01 0.00 0.00 175.29 177.20 2dmz n VAL 67 N -0.46 0.00 -2.33 1.09 0.24 -1.26 -3.58 118.33 112.03 2dmz n VAL 67 Ca 0.04 -0.27 -0.13 0.00 -2.04 0.00 0.00 64.34 61.95 2dmz n VAL 67 Cb 0.64 -0.96 -0.00 0.00 -1.47 0.00 0.00 33.84 32.05 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 -4.39 -4.15 -4.40 -1.34 3.02 -1.23 -4.95 115.26 97.83 2dmz n ASN 68 Ca 0.06 -0.04 -0.25 0.00 -0.03 0.00 0.00 54.58 54.32 2dmz n ASN 68 Cb 0.54 -3.29 -0.11 0.00 -0.61 0.00 0.00 39.78 36.31 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 -2.47 3.19 -0.17 6.41 1.11 -1.24 -4.99 116.67 118.50 2dmz s ASP 69 Ca 0.03 -0.88 0.01 0.00 0.18 0.00 0.00 52.55 51.89 2dmz s ASP 69 Cb -0.01 -0.22 0.01 0.00 1.07 0.00 0.00 42.92 43.76 2dmz s ASP 69 CO 0.04 0.06 -0.18 -0.75 1.18 0.00 0.00 175.17 175.52 2dmz s LYS 70 N -2.78 3.08 -0.04 8.23 2.20 -1.26 -2.42 119.74 126.76 2dmz s LYS 70 Ca 0.20 -0.80 -0.22 0.00 -0.36 0.00 0.00 55.97 54.79 2dmz s LYS 70 Cb -0.07 -2.60 -0.04 0.00 -1.51 0.00 0.00 37.83 33.61 2dmz s LYS 70 CO 0.09 -0.12 0.65 0.42 -0.36 0.00 0.00 175.35 176.03 2dmz s ILE 71 N 1.11 4.98 -0.05 5.43 1.09 -0.97 -2.87 121.20 129.92 2dmz s ILE 71 Ca 0.00 1.35 0.08 0.00 -1.10 0.00 0.00 60.65 60.99 2dmz s ILE 71 Cb -0.14 -3.99 -0.12 0.00 -1.06 0.00 0.00 42.46 37.15 2dmz s ILE 71 CO -0.07 0.32 0.10 1.33 -0.10 0.00 0.00 174.94 176.53 2dmz n VAL 72 N 3.32 0.33 -3.63 2.92 0.24 -0.14 -4.66 118.33 116.71 2dmz n VAL 72 Ca -0.04 -0.29 -0.11 0.00 -2.04 0.00 0.00 64.34 61.86 2dmz n VAL 72 Cb 0.51 -0.32 -0.07 0.00 -1.47 0.00 0.00 33.84 32.49 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 -2.39 -1.89 -0.21 2.33 0.00 -1.17 -2.80 121.76 115.63 2dmz s ALA 73 Ca -0.04 2.01 -0.04 0.00 0.00 0.00 0.00 51.96 53.89 2dmz s ALA 73 Cb 0.04 -1.34 -0.01 0.00 0.00 0.00 0.00 23.12 21.81 2dmz s ALA 73 CO 0.36 -0.30 -0.04 0.08 0.00 0.00 0.00 175.76 175.86 2dmz s VAL 74 N 0.47 3.47 -1.36 0.00 1.01 0.15 0.30 120.40 124.44 2dmz s VAL 74 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.51 2dmz s VAL 74 Cb -0.05 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.76 2dmz s VAL 74 CO -0.05 0.43 0.00 -0.90 0.00 0.00 0.00 175.10 174.58 2dmz n ASP 75 N 4.59 -4.08 0.00 3.32 5.68 0.89 0.31 116.55 127.26 2dmz n ASP 75 Ca -0.18 0.25 0.00 0.00 -0.50 0.00 0.00 54.79 54.36 2dmz n ASP 75 Cb 0.51 -3.59 0.00 0.00 -1.14 0.00 0.00 41.12 36.90 2dmz n ASP 75 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dmz n GLY 76 N -0.57 3.24 3.65 6.12 0.00 -1.25 -4.81 105.19 111.57 2dmz n GLY 76 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.81 4.34 -0.79 1.61 1.01 0.15 -4.95 120.40 118.96 2dmz s VAL 77 Ca 0.00 1.61 -0.25 0.00 0.00 0.00 0.00 61.98 63.33 2dmz s VAL 77 Cb 0.00 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 2dmz s VAL 77 CO 0.00 -0.21 1.79 0.21 0.00 0.00 0.00 175.10 176.89 2dmz s ASN 78 N 1.95 5.45 -0.03 3.32 3.84 -1.26 0.30 114.94 128.50 2dmz s ASN 78 Ca 0.53 -0.34 0.08 0.00 0.21 0.00 0.00 52.86 53.34 2dmz s ASN 78 Cb -0.19 -2.55 0.30 0.00 -0.55 0.00 0.00 41.25 38.26 2dmz s ASN 78 CO 0.14 -2.37 1.16 2.30 -2.79 0.00 0.00 177.10 175.54 2dmz n ILE 79 N 7.35 0.67 -1.54 -5.21 -5.35 -1.12 -4.84 119.36 109.32 2dmz n ILE 79 Ca 0.28 -0.48 -0.18 0.00 -0.27 0.00 0.00 62.75 62.10 2dmz n ILE 79 Cb 0.50 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.30 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 0.37 0.47 0.00 6.28 6.02 -1.18 0.03 117.38 129.37 2dmz n GLN 80 Ca 0.11 -0.57 0.00 0.00 -0.01 0.00 0.00 57.00 56.53 2dmz n GLN 80 Cb 0.40 -3.04 0.00 0.00 1.02 0.00 0.00 30.24 28.61 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 6.45 1.91 3.41 1.08 0.00 -1.26 -5.08 105.19 111.70 2dmz n GLY 81 Ca 0.51 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.30 -0.61 -1.88 1.61 3.01 0.10 -4.90 117.46 114.49 2dmz n PHE 82 Ca 0.00 0.83 -0.32 0.00 1.01 0.00 0.00 57.45 58.97 2dmz n PHE 82 Cb 0.00 -1.96 0.03 0.00 -0.01 0.00 0.00 39.48 37.54 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 -1.20 2.69 0.15 4.37 0.00 -1.26 -4.73 121.76 121.78 2dmz s ALA 83 Ca 0.62 0.32 -0.23 0.00 0.00 0.00 0.00 51.96 52.68 2dmz s ALA 83 Cb -0.81 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 19.10 2dmz s ALA 83 CO 0.58 -0.98 1.27 -1.71 0.00 0.00 0.00 175.76 174.93 2dmz n ASN 84 N -2.38 -0.78 -0.14 0.00 4.05 -1.26 0.34 115.26 115.09 2dmz n ASN 84 Ca 0.09 1.46 -0.10 0.00 0.45 0.00 0.00 54.58 56.48 2dmz n ASN 84 Cb 0.53 -0.23 -0.01 0.00 1.23 0.00 0.00 39.78 41.30 2dmz n ASN 84 CO 0.00 0.00 0.00 1.12 -3.05 0.00 0.00 177.26 175.33 2dmz h HIS 85 N 0.00 0.70 -0.71 1.20 2.07 -1.99 -2.06 115.15 114.36 2dmz h HIS 85 Ca 0.17 -0.10 0.21 0.00 -2.85 0.00 0.00 60.37 57.80 2dmz h HIS 85 Cb 0.38 -0.19 -0.03 0.00 2.57 0.00 0.00 27.41 30.14 2dmz h HIS 85 CO -0.82 0.69 0.58 0.22 -3.07 0.00 0.00 177.93 175.54 2dmz h ASP 86 N 0.51 0.00 0.23 3.10 1.82 -0.45 0.46 116.42 122.10 2dmz h ASP 86 Ca 0.12 0.00 -0.35 0.00 -0.39 0.00 0.00 57.03 56.42 2dmz h ASP 86 Cb 0.37 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.38 2dmz h ASP 86 CO 0.01 0.00 -1.77 0.58 -1.61 0.00 0.00 179.24 176.45 2dmz h VAL 87 N 0.00 0.90 -0.52 2.25 2.07 -0.35 -3.28 116.25 117.31 2dmz h VAL 87 Ca 0.34 -2.53 0.04 0.00 0.82 0.00 0.00 66.70 65.37 2dmz h VAL 87 Cb 1.49 2.69 -0.04 0.00 -1.52 0.00 0.00 31.29 33.90 2dmz h VAL 87 CO -0.00 0.85 0.27 0.58 0.02 0.00 0.00 177.57 179.28 2dmz h VAL 88 N 0.09 0.96 -0.73 2.57 2.07 -0.25 -1.93 116.25 119.03 2dmz h VAL 88 Ca -0.34 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 2dmz h VAL 88 Cb 2.07 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 2dmz h VAL 88 CO 0.15 0.10 0.30 1.05 0.02 0.00 0.00 177.57 179.19 2dmz h GLU 89 N 0.52 1.06 -0.77 1.57 4.11 -1.46 -2.63 114.58 116.99 2dmz h GLU 89 Ca 0.23 -0.17 0.01 0.00 0.07 0.00 0.00 59.36 59.50 2dmz h GLU 89 Cb 0.13 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 2dmz h GLU 89 CO -0.16 0.85 0.51 0.28 0.07 0.00 0.00 179.01 180.56 2dmz h VAL 90 N 1.05 1.17 -0.30 -1.06 2.07 -1.43 -1.90 116.25 115.85 2dmz h VAL 90 Ca 0.25 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 2dmz h VAL 90 Cb 0.18 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 2dmz h VAL 90 CO -0.02 0.19 0.15 -0.07 0.02 0.00 0.00 177.57 177.83 2dmz h LEU 91 N 1.02 0.40 -0.92 2.57 3.38 -1.06 -2.31 115.31 118.39 2dmz h LEU 91 Ca 0.29 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.19 2dmz h LEU 91 Cb -0.08 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.51 2dmz h LEU 91 CO -0.08 0.41 0.59 0.03 0.09 0.00 0.00 178.44 179.48 2dmz h ARG 92 N 0.36 1.08 -0.81 1.13 3.08 -1.14 -1.99 114.38 116.08 2dmz h ARG 92 Ca 0.10 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 2dmz h ARG 92 Cb 0.12 -0.24 -0.04 0.00 0.08 0.00 0.00 29.97 29.89 2dmz h ARG 92 CO -0.01 0.71 0.41 -0.91 -1.07 0.00 0.00 179.97 179.10 2dmz h ASN 93 N 1.11 1.04 -3.25 7.04 2.35 -1.06 -3.44 115.58 119.36 2dmz h ASN 93 Ca 0.38 -0.12 -0.58 0.00 -0.55 0.00 0.00 56.30 55.44 2dmz h ASN 93 Cb 0.09 -0.27 0.16 0.00 0.05 0.00 0.00 38.32 38.36 2dmz h ASN 93 CO -0.15 0.86 -0.08 0.00 -1.65 0.00 0.00 177.43 176.41 2dmz n ALA 94 N -2.39 -0.37 -2.49 -0.83 0.00 -0.75 -5.02 120.51 108.67 2dmz n ALA 94 Ca 0.08 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2dmz n ALA 94 Cb 0.12 -1.99 0.00 0.00 0.00 0.00 0.00 19.45 17.58 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 1.48 3.80 0.37 0.00 0.00 -1.26 -5.01 105.19 104.56 2dmz n GLY 95 Ca 0.12 -1.90 -0.12 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.40 -6.33 1.61 4.15 -1.89 -3.35 115.11 108.91 2dmz h GLN 96 Ca 0.00 0.03 -0.54 0.00 0.77 0.00 0.00 58.65 58.91 2dmz h GLN 96 Cb 0.00 0.09 -0.06 0.00 0.21 0.00 0.00 27.48 27.72 2dmz h GLN 96 CO 0.00 -0.26 1.14 0.08 -1.93 0.00 0.00 178.83 177.86 2dmz s VAL 97 N -5.14 3.70 -0.29 2.39 1.01 -1.26 -3.51 120.40 117.30 2dmz s VAL 97 Ca -0.12 0.57 0.03 0.00 0.00 0.00 0.00 61.98 62.46 2dmz s VAL 97 Cb 0.06 -4.36 0.08 0.00 0.00 0.00 0.00 36.38 32.15 2dmz s VAL 97 CO 0.49 -1.15 -0.04 -0.69 0.00 0.00 0.00 175.10 173.71 2dmz s VAL 98 N 6.50 2.15 -0.68 2.92 1.01 -0.99 -4.93 120.40 126.37 2dmz s VAL 98 Ca 0.54 -1.90 -0.19 0.00 0.00 0.00 0.00 61.98 60.43 2dmz s VAL 98 Cb -0.11 -2.41 0.11 0.00 0.00 0.00 0.00 36.38 33.97 2dmz s VAL 98 CO 0.24 -0.28 0.84 -1.00 0.00 0.00 0.00 175.10 174.90 2dmz s HIS 99 N 1.05 3.00 -0.46 5.22 3.76 -1.23 -0.28 115.29 126.34 2dmz s HIS 99 Ca -0.00 -1.02 -0.27 0.00 -0.15 0.00 0.00 55.06 53.61 2dmz s HIS 99 Cb -0.19 -4.11 0.03 0.00 1.11 0.00 0.00 32.58 29.41 2dmz s HIS 99 CO -0.07 -1.39 1.02 -1.17 -0.85 0.00 0.00 174.74 172.28 2dmz s LEU 100 N 2.80 3.85 -0.64 0.89 1.98 0.63 -0.08 118.68 128.12 2dmz s LEU 100 Ca 0.18 0.31 -0.27 0.00 -2.89 0.00 0.00 54.13 51.46 2dmz s LEU 100 Cb -0.18 -3.35 0.03 0.00 0.66 0.00 0.00 46.19 43.35 2dmz s LEU 100 CO 0.03 -1.12 1.17 -0.89 -1.89 0.00 0.00 176.35 173.65 2dmz s THR 101 N 4.03 3.99 0.25 3.68 2.01 0.15 -1.36 115.64 128.39 2dmz s THR 101 Ca 0.42 0.55 0.11 0.00 0.31 0.00 0.00 61.69 63.08 2dmz s THR 101 Cb -0.09 -4.76 -0.05 0.00 0.01 0.00 0.00 72.50 67.61 2dmz s THR 101 CO 0.28 -1.49 -0.21 -0.76 -0.69 0.00 0.00 174.62 171.75 2dmz s LEU 102 N 5.01 2.53 -0.15 4.42 1.43 -0.61 -0.97 118.68 130.34 2dmz s LEU 102 Ca 0.37 -0.97 -0.03 0.00 -1.03 0.00 0.00 54.13 52.47 2dmz s LEU 102 Cb -0.09 -1.09 0.05 0.00 0.03 0.00 0.00 46.19 45.09 2dmz s LEU 102 CO 0.20 0.05 0.04 0.54 0.23 0.00 0.00 176.35 177.41 2dmz s VAL 103 N -2.25 0.34 0.16 -1.59 0.11 -1.14 0.08 120.40 116.12 2dmz s VAL 103 Ca 0.26 -0.26 0.05 0.00 -2.93 0.00 0.00 61.98 59.10 2dmz s VAL 103 Cb -0.06 -0.77 -0.04 0.00 -1.53 0.00 0.00 36.38 33.98 2dmz s VAL 103 CO 0.13 -0.08 0.13 0.00 -3.33 0.00 0.00 175.10 171.94 2dmz s ARG 104 N 1.96 2.88 -0.13 1.54 1.70 -1.00 -4.35 118.95 121.55 2dmz s ARG 104 Ca 0.01 -0.88 -0.29 0.00 -0.47 0.00 0.00 55.73 54.10 2dmz s ARG 104 Cb -0.15 -2.64 -0.03 0.00 -0.57 0.00 0.00 34.95 31.56 2dmz s ARG 104 CO -0.07 0.48 1.51 0.50 -1.08 0.00 0.00 175.30 176.65 2dmz s ARG 105 N -3.08 4.11 0.99 3.89 3.52 -1.26 -0.66 118.95 126.45 2dmz s ARG 105 Ca 0.31 1.88 -0.13 0.00 -0.13 0.00 0.00 55.73 57.67 2dmz s ARG 105 Cb -0.10 -3.92 0.11 0.00 -1.56 0.00 0.00 34.95 29.48 2dmz s ARG 105 CO 0.23 -0.91 0.65 1.63 -0.81 0.00 0.00 175.30 176.09 2dmz n LYS 106 N 7.09 -0.78 -1.97 5.12 5.02 -0.72 -4.90 118.16 127.01 2dmz n LYS 106 Ca 0.16 -0.18 -0.41 0.00 -2.02 0.00 0.00 58.31 55.86 2dmz n LYS 106 Cb 0.44 -2.03 -0.01 0.00 -0.02 0.00 0.00 35.03 33.41 2dmz n LYS 106 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2dmz s THR 107 N -2.45 2.41 0.22 -0.18 2.01 -1.26 -4.98 115.64 111.41 2dmz s THR 107 Ca 0.61 0.40 -0.04 0.00 0.31 0.00 0.00 61.69 62.97 2dmz s THR 107 Cb -0.21 -3.26 -0.03 0.00 0.01 0.00 0.00 72.50 69.01 2dmz s THR 107 CO 0.64 0.09 0.25 -0.44 -0.69 0.00 0.00 174.62 174.47 2dmz s SER 108 N -0.25 0.12 0.27 3.53 0.01 -1.26 -5.13 113.70 110.99 2dmz s SER 108 Ca 0.52 -1.26 -0.30 0.00 1.31 0.00 0.00 55.95 56.21 2dmz s SER 108 Cb -0.43 0.45 -0.11 0.00 0.21 0.00 0.00 66.02 66.14 2dmz s SER 108 CO 0.56 -0.95 1.58 -0.55 0.41 0.00 0.00 173.24 174.30 2dmz s SER 109 N -3.12 6.44 0.53 2.44 0.15 -1.26 -5.01 113.70 113.86 2dmz s SER 109 Ca 0.34 2.86 0.04 0.00 0.70 0.00 0.00 55.95 59.89 2dmz s SER 109 Cb 0.04 -2.63 0.01 0.00 -1.71 0.00 0.00 66.02 61.74 2dmz s SER 109 CO 0.12 -0.88 0.23 -0.44 1.20 0.00 0.00 173.24 173.47 2dmz s SER 110 N 0.60 4.42 -0.54 5.45 0.01 -1.26 -5.05 113.70 117.33 2dmz s SER 110 Ca 0.64 -1.40 0.02 0.00 1.31 0.00 0.00 55.95 56.52 2dmz s SER 110 Cb -0.47 0.42 0.44 0.00 0.21 0.00 0.00 66.02 66.63 2dmz s SER 110 CO 0.44 -0.98 1.68 1.07 0.41 0.00 0.00 173.24 175.86 2dmz n THR 111 N -1.54 3.16 -4.11 1.44 5.66 -1.26 -4.92 114.28 112.71 2dmz n THR 111 Ca -0.09 -3.67 -0.36 0.00 -3.05 0.00 0.00 64.05 56.88 2dmz n THR 111 Cb 0.65 -1.17 -0.03 0.00 -1.55 0.00 0.00 70.33 68.24 2dmz n THR 111 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2dmz n SER 112 N -0.77 -1.84 -2.86 1.09 7.64 -1.26 -4.94 113.62 110.68 2dmz n SER 112 Ca 0.54 -1.22 0.00 0.00 1.01 0.00 0.00 58.87 59.20 2dmz n SER 112 Cb 0.72 -2.03 0.00 0.00 -1.01 0.00 0.00 64.21 61.89 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 -4.71 -0.33 0.12 1.43 -0.04 -1.26 -4.98 135.00 125.24 2dmz n PRO 113 Ca -0.22 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.05 2dmz n PRO 113 Cb 0.63 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.95 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 0.56 -6.19 1.53 3.38 -2.06 -3.39 115.31 109.13 2dmz h LEU 114 Ca 0.00 -0.61 -0.58 0.00 0.09 0.00 0.00 57.88 56.78 2dmz h LEU 114 Cb 0.00 -0.18 -0.40 0.00 0.09 0.00 0.00 40.66 40.17 2dmz h LEU 114 CO 0.00 1.48 -0.92 -0.62 0.09 0.00 0.00 178.44 178.47 2dmz n GLU 115 N -3.59 1.14 -1.43 1.13 -0.58 -1.26 -5.12 120.64 110.94 2dmz n GLU 115 Ca -0.12 -3.66 -0.32 0.00 -0.42 0.00 0.00 57.16 52.65 2dmz n GLU 115 Cb 1.05 -1.62 0.08 0.00 -0.57 0.00 0.00 31.44 30.38 2dmz n GLU 115 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 2dmz s PRO 116 N -1.31 2.44 0.90 3.49 0.04 -1.26 -5.03 135.00 134.27 2dmz s PRO 116 Ca 0.35 1.25 -0.12 0.00 0.04 0.00 0.00 61.00 62.52 2dmz s PRO 116 Cb 0.13 -1.91 0.13 0.00 0.04 0.00 0.00 34.50 32.89 2dmz s PRO 116 CO -0.11 -1.51 1.09 -1.25 0.04 0.00 0.00 177.00 175.26 2dmz s PRO 117 N -4.62 1.19 -0.08 0.56 0.04 -1.26 -5.07 135.00 125.76 2dmz s PRO 117 Ca 0.63 0.79 0.00 0.00 0.04 0.00 0.00 61.00 62.47 2dmz s PRO 117 Cb -0.18 -1.80 0.02 0.00 0.04 0.00 0.00 34.50 32.57 2dmz s PRO 117 CO 0.51 -2.28 -0.07 -1.54 0.04 0.00 0.00 177.00 173.66 2dmz s SER 118 N -3.43 1.71 -0.20 6.66 1.04 -1.26 -5.12 113.70 113.09 2dmz s SER 118 Ca 0.64 -0.23 -0.02 0.00 0.48 0.00 0.00 55.95 56.81 2dmz s SER 118 Cb -0.18 -0.69 0.00 0.00 0.10 0.00 0.00 66.02 65.25 2dmz s SER 118 CO 0.57 -0.07 -0.10 -0.62 0.98 0.00 0.00 173.24 174.00 2dmz s ASP 119 N 1.28 3.90 -0.18 7.02 2.15 -1.26 -5.09 116.67 124.50 2dmz s ASP 119 Ca -0.04 -0.47 -0.01 0.00 0.43 0.00 0.00 52.55 52.46 2dmz s ASP 119 Cb -0.14 -1.65 0.05 0.00 -0.30 0.00 0.00 42.92 40.89 2dmz s ASP 119 CO -0.03 -0.00 -0.02 0.00 -0.17 0.00 0.00 175.17 174.95 2dmz s ARG 120 N 1.35 1.12 0.00 4.34 1.70 -1.26 -5.09 118.95 121.11 2dmz s ARG 120 Ca 0.04 -0.52 0.00 0.00 -0.47 0.00 0.00 55.73 54.78 2dmz s ARG 120 Cb -0.14 -2.07 0.00 0.00 -0.57 0.00 0.00 34.95 32.17 2dmz s ARG 120 CO -0.06 -0.53 0.00 0.41 -1.08 0.00 0.00 175.30 174.04 2dmz n GLY 121 N 4.92 -0.64 3.54 3.88 0.00 -1.26 -5.17 105.19 110.46 2dmz n GLY 121 Ca -0.10 -1.58 -0.07 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.11 0.00 0.44 2.61 -1.32 -1.26 -5.19 115.64 108.81 2dmz s THR 122 Ca 0.00 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.54 2dmz s THR 122 Cb 0.00 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.94 2dmz s THR 122 CO 0.00 0.00 0.13 0.68 -2.21 0.00 0.00 174.62 173.22 2dmz s VAL 123 N -2.70 2.03 -0.05 5.08 -7.23 -1.26 -5.08 120.40 111.19 2dmz s VAL 123 Ca 0.06 -1.80 -0.03 0.00 -1.81 0.00 0.00 61.98 58.40 2dmz s VAL 123 Cb -0.01 -2.83 -0.02 0.00 0.56 0.00 0.00 36.38 34.08 2dmz s VAL 123 CO -0.07 0.00 -0.08 -0.24 -0.31 0.00 0.00 175.10 174.41 2dmz n SER 124 N -1.21 0.47 0.00 4.85 2.88 -1.26 -5.15 113.62 114.20 2dmz n SER 124 Ca -0.04 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 2dmz n SER 124 Cb 0.65 -0.19 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 2dmz n SER 124 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dmz n GLY 125 N 2.65 -1.41 1.33 0.46 0.00 -1.26 -5.06 105.19 101.91 2dmz n GLY 125 Ca -0.11 -1.25 -0.11 0.00 0.00 0.00 0.00 46.02 44.54 2dmz n GLY 125 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dmz n PRO 126 N 0.16 -1.84 -3.83 1.61 -0.04 -1.26 -5.10 135.00 124.70 2dmz n PRO 126 Ca 0.00 -0.66 -0.06 0.00 -0.04 0.00 0.00 63.50 62.73 2dmz n PRO 126 Cb 0.00 -0.62 -0.02 0.00 -0.04 0.00 0.00 33.50 32.82 2dmz n PRO 126 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2dmz s SER 127 N -2.63 -0.23 0.15 3.54 1.04 -1.26 -5.11 113.70 109.21 2dmz s SER 127 Ca 0.27 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.12 2dmz s SER 127 Cb -0.03 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.76 2dmz s SER 127 CO 0.21 -1.24 0.00 -1.20 0.98 0.00 0.00 173.24 171.99 2dmz n SER 128 N -0.50 0.27 -0.86 7.02 7.64 -1.26 -5.36 113.62 120.57 2dmz n SER 128 Ca -0.05 0.24 0.12 0.00 1.01 0.00 0.00 58.87 60.20 2dmz n SER 128 Cb 0.59 0.06 0.19 0.00 -1.01 0.00 0.00 64.21 64.05 2dmz n SER 128 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64