#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 -0.65 0.01 1.61 0.15 -1.26 -5.17 113.70 108.40 2dmz s SER 2 Ca 0.00 1.23 0.06 0.00 0.70 0.00 0.00 55.95 57.95 2dmz s SER 2 Cb 0.00 1.25 -0.02 0.00 -1.71 0.00 0.00 66.02 65.54 2dmz s SER 2 CO 0.00 -0.23 -0.19 -0.55 1.20 0.00 0.00 173.24 173.47 2dmz s SER 3 N 0.28 2.27 -0.30 5.45 0.15 -1.26 -5.13 113.70 115.17 2dmz s SER 3 Ca -0.00 -0.41 -0.12 0.00 0.70 0.00 0.00 55.95 56.12 2dmz s SER 3 Cb -0.04 -0.22 0.14 0.00 -1.71 0.00 0.00 66.02 64.18 2dmz s SER 3 CO 0.01 0.19 0.75 -0.83 1.20 0.00 0.00 173.24 174.56 2dmz s GLY 4 N -0.76 -0.57 -0.91 9.45 0.00 -1.26 -5.10 107.32 108.18 2dmz s GLY 4 Ca 0.07 2.56 -0.07 0.00 0.00 0.00 0.00 44.72 47.27 2dmz s GLY 4 CO 0.00 3.10 0.83 -0.56 0.00 0.00 0.00 173.10 176.47 2dmz s SER 5 N 2.73 6.48 0.46 1.64 0.01 -1.26 -5.06 113.70 118.70 2dmz s SER 5 Ca -0.05 -3.32 -0.20 0.00 1.31 0.00 0.00 55.95 53.69 2dmz s SER 5 Cb -0.10 -2.07 -0.15 0.00 0.21 0.00 0.00 66.02 63.91 2dmz s SER 5 CO -0.19 -0.33 0.02 -0.24 0.41 0.00 0.00 173.24 172.91 2dmz n SER 6 N 2.99 -3.09 -3.63 2.44 2.88 -1.26 -4.98 113.62 108.97 2dmz n SER 6 Ca 0.18 0.74 -0.03 0.00 -1.33 0.00 0.00 58.87 58.43 2dmz n SER 6 Cb 0.40 -0.89 -0.01 0.00 -0.75 0.00 0.00 64.21 62.96 2dmz n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dmz s GLY 7 N -1.01 -0.35 0.00 0.46 0.00 -1.26 -4.79 107.32 100.37 2dmz s GLY 7 Ca 0.59 0.78 0.00 0.00 0.00 0.00 0.00 44.72 46.08 2dmz s GLY 7 CO 0.64 0.22 0.00 0.61 0.00 0.00 0.00 173.10 174.56 2dmz n GLY 8 N -0.35 -2.79 3.45 0.20 0.00 -1.26 -5.14 105.19 99.30 2dmz n GLY 8 Ca -0.06 -1.32 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 2dmz n GLY 8 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2dmz n SER 9 N 3.00 -1.63 -4.58 1.61 3.41 -1.26 -4.74 113.62 109.43 2dmz n SER 9 Ca 0.00 0.39 -0.25 0.00 -0.26 0.00 0.00 58.87 58.75 2dmz n SER 9 Cb 0.00 -1.24 -0.07 0.00 -0.26 0.00 0.00 64.21 62.64 2dmz n SER 9 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2dmz s ASP 10 N -1.97 4.70 -0.13 4.04 1.01 -1.26 -4.57 116.67 118.50 2dmz s ASP 10 Ca 0.60 -1.31 -0.14 0.00 0.71 0.00 0.00 52.55 52.40 2dmz s ASP 10 Cb -0.24 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.06 2dmz s ASP 10 CO 0.64 -3.38 -0.28 -0.24 0.21 0.00 0.00 175.17 172.12 2dmz n SER 11 N 15.51 1.75 -3.98 0.27 2.88 -1.26 -4.76 113.62 124.03 2dmz n SER 11 Ca 0.44 0.29 -0.43 0.00 -1.33 0.00 0.00 58.87 57.83 2dmz n SER 11 Cb 0.46 -0.66 0.01 0.00 -0.75 0.00 0.00 64.21 63.27 2dmz n SER 11 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dmz n SER 12 N -4.24 6.00 0.03 -3.46 7.64 -1.26 -4.77 113.62 113.55 2dmz n SER 12 Ca -0.11 -3.31 -0.01 0.00 1.01 0.00 0.00 58.87 56.45 2dmz n SER 12 Cb 0.42 -1.34 0.27 0.00 -1.01 0.00 0.00 64.21 62.55 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 6.24 0.43 -9.74 -3.43 -0.00 -1.91 -3.44 115.31 103.45 2dmz h LEU 13 Ca 0.26 -0.11 -0.54 0.00 -0.00 0.00 0.00 57.88 57.48 2dmz h LEU 13 Cb 0.63 -0.11 -0.07 0.00 -0.00 0.00 0.00 40.66 41.10 2dmz h LEU 13 CO 1.41 0.61 -0.58 -0.36 -0.00 0.00 0.00 178.44 179.51 2dmz s PHE 14 N -4.69 2.98 -0.14 1.13 0.40 -1.26 -1.30 117.98 115.11 2dmz s PHE 14 Ca -0.07 -0.12 0.02 0.00 -0.60 0.00 0.00 56.93 56.16 2dmz s PHE 14 Cb 0.15 -1.37 0.00 0.00 0.51 0.00 0.00 43.02 42.31 2dmz s PHE 14 CO 0.77 0.54 -0.19 -1.83 0.70 0.00 0.00 175.22 175.21 2dmz s GLU 15 N -3.55 3.12 0.06 0.44 -1.05 0.04 -4.83 118.70 112.92 2dmz s GLU 15 Ca 0.31 -0.81 -0.08 0.00 -0.15 0.00 0.00 54.97 54.24 2dmz s GLU 15 Cb -0.08 -2.50 -0.05 0.00 -0.44 0.00 0.00 34.13 31.05 2dmz s GLU 15 CO 0.23 0.04 0.35 0.99 0.95 0.00 0.00 175.26 177.82 2dmz s THR 16 N 0.72 5.17 -0.10 1.83 2.01 -1.26 -2.69 115.64 121.32 2dmz s THR 16 Ca -0.08 0.34 -0.21 0.00 0.31 0.00 0.00 61.69 62.04 2dmz s THR 16 Cb -0.16 -3.62 0.05 0.00 0.01 0.00 0.00 72.50 68.78 2dmz s THR 16 CO 0.01 0.31 0.50 -0.72 -0.69 0.00 0.00 174.62 174.03 2dmz s TYR 17 N -1.37 -0.48 -0.10 4.92 1.13 -0.92 -4.99 117.35 115.54 2dmz s TYR 17 Ca 0.31 0.97 -0.12 0.00 -1.41 0.00 0.00 57.07 56.82 2dmz s TYR 17 Cb -0.14 0.23 -0.05 0.00 -1.10 0.00 0.00 41.96 40.90 2dmz s TYR 17 CO 0.18 -0.41 0.28 0.54 -2.51 0.00 0.00 175.55 173.63 2dmz s ASN 18 N -0.65 6.52 -0.22 -0.18 2.20 -1.26 -2.77 114.94 118.58 2dmz s ASN 18 Ca -0.07 0.62 0.00 0.00 -0.94 0.00 0.00 52.86 52.47 2dmz s ASN 18 Cb -0.03 -2.17 0.03 0.00 -2.00 0.00 0.00 41.25 37.08 2dmz s ASN 18 CO 0.05 0.25 -0.13 -0.69 -2.94 0.00 0.00 177.10 173.63 2dmz s VAL 19 N -0.38 2.40 -0.91 3.54 1.01 0.37 -4.89 120.40 121.54 2dmz s VAL 19 Ca 0.18 -1.07 -0.17 0.00 0.00 0.00 0.00 61.98 60.92 2dmz s VAL 19 Cb -0.14 -2.15 0.16 0.00 0.00 0.00 0.00 36.38 34.25 2dmz s VAL 19 CO 0.06 0.33 1.04 -0.70 0.00 0.00 0.00 175.10 175.83 2dmz s GLU 20 N 1.28 3.61 0.35 2.72 2.12 -1.23 -0.04 118.70 127.51 2dmz s GLU 20 Ca 0.01 -1.97 -0.27 0.00 0.36 0.00 0.00 54.97 53.11 2dmz s GLU 20 Cb -0.15 -4.79 -0.09 0.00 0.26 0.00 0.00 34.13 29.36 2dmz s GLU 20 CO -0.08 -1.64 1.12 -0.51 -0.54 0.00 0.00 175.26 173.60 2dmz s LEU 21 N 1.98 4.32 -0.11 2.70 1.43 0.47 -4.76 118.68 124.71 2dmz s LEU 21 Ca 0.29 2.26 -0.02 0.00 -1.03 0.00 0.00 54.13 55.63 2dmz s LEU 21 Cb -0.06 -3.91 -0.03 0.00 0.03 0.00 0.00 46.19 42.22 2dmz s LEU 21 CO -0.09 -0.44 -0.03 0.54 0.23 0.00 0.00 176.35 176.56 2dmz s VAL 22 N -1.38 3.98 -0.33 -1.59 0.11 -1.26 -2.31 120.40 117.62 2dmz s VAL 22 Ca 0.52 -0.35 -0.10 0.00 -2.93 0.00 0.00 61.98 59.13 2dmz s VAL 22 Cb -0.29 -2.69 0.01 0.00 -1.53 0.00 0.00 36.38 31.87 2dmz s VAL 22 CO 0.37 0.56 0.16 -0.13 -3.33 0.00 0.00 175.10 172.73 2dmz s ARG 23 N -0.33 3.07 1.38 1.54 0.52 -1.25 -4.65 118.95 119.22 2dmz s ARG 23 Ca 0.06 -0.90 -0.22 0.00 -0.52 0.00 0.00 55.73 54.15 2dmz s ARG 23 Cb -0.12 -3.59 0.34 0.00 0.52 0.00 0.00 34.95 32.09 2dmz s ARG 23 CO 0.02 -0.54 0.77 1.63 0.02 0.00 0.00 175.30 177.21 2dmz n LYS 24 N 4.96 -4.34 -1.96 3.54 4.76 -1.26 -4.72 118.16 119.14 2dmz n LYS 24 Ca -0.13 -1.29 -0.27 0.00 -2.87 0.00 0.00 58.31 53.75 2dmz n LYS 24 Cb 0.48 -1.83 -0.07 0.00 -1.84 0.00 0.00 35.03 31.77 2dmz n LYS 24 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2dmz n ASP 25 N -4.83 2.80 0.00 4.39 8.00 -1.26 -2.61 116.55 123.04 2dmz n ASP 25 Ca 0.12 -2.67 0.00 0.00 0.71 0.00 0.00 54.79 52.95 2dmz n ASP 25 Cb 0.54 -1.71 0.00 0.00 -0.02 0.00 0.00 41.12 39.92 2dmz n ASP 25 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dmz n GLY 26 N 5.78 0.96 3.50 0.44 0.00 -1.26 -5.13 105.19 109.48 2dmz n GLY 26 Ca 0.45 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.22 2dmz n GLY 26 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2dmz s GLN 27 N 0.08 1.74 0.42 1.61 0.74 -1.07 -5.16 119.66 118.02 2dmz s GLN 27 Ca 0.00 -1.84 0.07 0.00 0.05 0.00 0.00 55.36 53.63 2dmz s GLN 27 Cb 0.00 -1.72 -0.05 0.00 1.10 0.00 0.00 33.01 32.34 2dmz s GLN 27 CO 0.00 0.24 0.16 -1.12 -0.55 0.00 0.00 175.29 174.01 2dmz s SER 28 N -3.55 4.33 0.02 6.67 0.01 -1.26 -4.71 113.70 115.21 2dmz s SER 28 Ca 0.31 -1.17 -0.13 0.00 1.31 0.00 0.00 55.95 56.28 2dmz s SER 28 Cb -0.01 -0.37 -0.07 0.00 0.21 0.00 0.00 66.02 65.78 2dmz s SER 28 CO 0.15 -0.57 1.08 0.25 0.41 0.00 0.00 173.24 174.56 2dmz h LEU 29 N 1.44 -0.38 -1.61 2.44 5.85 -1.96 -3.25 115.31 117.83 2dmz h LEU 29 Ca -0.43 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.31 2dmz h LEU 29 Cb 1.26 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.39 2dmz h LEU 29 CO 0.71 -0.26 0.00 0.61 -0.34 0.00 0.00 178.44 179.17 2dmz n GLY 30 N -0.92 0.52 2.83 3.75 0.00 -1.26 -2.83 105.19 107.28 2dmz n GLY 30 Ca -0.06 -0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.54 0.84 -0.14 -0.61 1.01 -1.26 -2.95 121.20 115.55 2dmz s ILE 31 Ca 0.00 -0.54 -0.23 0.00 0.00 0.00 0.00 60.65 59.88 2dmz s ILE 31 Cb 0.00 -1.13 -0.03 0.00 0.01 0.00 0.00 42.46 41.31 2dmz s ILE 31 CO 0.00 0.02 0.71 -0.13 0.00 0.00 0.00 174.94 175.54 2dmz s ARG 32 N 1.74 4.32 0.39 2.79 1.81 -0.37 -5.00 118.95 124.62 2dmz s ARG 32 Ca 0.00 0.82 0.08 0.00 -1.72 0.00 0.00 55.73 54.91 2dmz s ARG 32 Cb -0.16 -3.53 -0.03 0.00 -0.45 0.00 0.00 34.95 30.78 2dmz s ARG 32 CO -0.07 -0.15 0.26 0.96 -0.68 0.00 0.00 175.30 175.62 2dmz s ILE 33 N 1.56 2.76 -0.09 1.52 -4.36 -1.26 0.05 121.20 121.38 2dmz s ILE 33 Ca 0.35 -1.52 -0.12 0.00 -0.26 0.00 0.00 60.65 59.10 2dmz s ILE 33 Cb -0.17 -3.02 0.03 0.00 1.25 0.00 0.00 42.46 40.55 2dmz s ILE 33 CO 0.14 -0.06 0.31 0.54 0.24 0.00 0.00 174.94 176.10 2dmz s VAL 34 N -2.47 0.01 -0.71 8.37 0.11 -0.54 -4.57 120.40 120.60 2dmz s VAL 34 Ca 0.43 -0.12 -0.15 0.00 -2.93 0.00 0.00 61.98 59.21 2dmz s VAL 34 Cb -0.01 -0.48 0.18 0.00 -1.53 0.00 0.00 36.38 34.53 2dmz s VAL 34 CO 0.25 -0.07 0.67 -0.83 -3.33 0.00 0.00 175.10 171.80 2dmz s GLY 35 N -0.19 2.39 0.02 6.54 0.00 -1.26 -2.33 107.32 112.49 2dmz s GLY 35 Ca -0.03 -2.96 -0.28 0.00 0.00 0.00 0.00 44.72 41.44 2dmz s GLY 35 CO 0.01 1.27 0.91 -0.19 0.00 0.00 0.00 173.10 175.10 2dmz s TYR 36 N 0.89 3.70 -0.17 1.90 2.02 0.06 -4.91 117.35 120.84 2dmz s TYR 36 Ca 0.12 1.63 0.09 0.00 -0.37 0.00 0.00 57.07 58.55 2dmz s TYR 36 Cb -0.18 -3.02 -0.17 0.00 -0.40 0.00 0.00 41.96 38.19 2dmz s TYR 36 CO -0.04 0.09 -0.03 0.28 -1.57 0.00 0.00 175.55 174.29 2dmz n VAL 37 N 3.47 1.09 -2.18 0.71 0.31 -1.26 -1.12 118.33 119.34 2dmz n VAL 37 Ca 0.03 -0.58 -0.02 0.00 -0.01 0.00 0.00 64.34 63.76 2dmz n VAL 37 Cb 0.50 -0.81 -0.02 0.00 -0.91 0.00 0.00 33.84 32.61 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 2.23 -4.14 0.46 2.92 0.00 -1.25 -4.35 105.19 101.05 2dmz n GLY 38 Ca -0.29 0.67 0.32 0.00 0.00 0.00 0.00 46.02 46.73 2dmz n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dmz h THR 39 N 2.23 0.29 -0.13 2.61 1.03 -1.99 1.06 112.91 118.01 2dmz h THR 39 Ca -0.22 -0.06 -0.15 0.00 -0.01 0.00 0.00 66.41 65.97 2dmz h THR 39 Cb 0.50 0.09 -0.01 0.00 -1.07 0.00 0.00 68.15 67.66 2dmz h THR 39 CO 0.03 0.03 -0.54 0.28 -0.01 0.00 0.00 175.52 175.31 2dmz h SER 40 N 0.18 0.43 -6.92 0.00 0.02 -1.96 -3.46 113.55 101.85 2dmz h SER 40 Ca 0.72 -0.23 -0.57 0.00 -0.84 0.00 0.00 61.79 60.88 2dmz h SER 40 Cb 2.21 -0.12 -0.32 0.00 0.14 0.00 0.00 62.40 64.31 2dmz h SER 40 CO -0.32 0.89 -0.83 0.00 -1.14 0.00 0.00 176.83 175.43 2dmz n HIS 41 N -3.94 -1.36 -3.54 3.45 1.44 0.37 -4.87 115.22 106.78 2dmz n HIS 41 Ca -0.03 0.66 -0.28 0.00 -2.01 0.00 0.00 57.72 56.07 2dmz n HIS 41 Cb 0.59 -2.07 -0.11 0.00 0.12 0.00 0.00 29.99 28.51 2dmz n HIS 41 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 2dmz s THR 42 N -3.17 0.95 -1.55 0.61 -4.23 -1.26 -4.87 115.64 102.11 2dmz s THR 42 Ca 0.76 -2.87 -0.03 0.00 -1.18 0.00 0.00 61.69 58.36 2dmz s THR 42 Cb -0.43 -1.65 0.01 0.00 1.34 0.00 0.00 72.50 71.76 2dmz s THR 42 CO 0.93 -1.13 0.29 0.61 -0.54 0.00 0.00 174.62 174.78 2dmz n GLY 43 N 2.86 -0.51 3.49 3.99 0.00 -1.26 -4.98 105.19 108.79 2dmz n GLY 43 Ca 0.24 0.06 -0.24 0.00 0.00 0.00 0.00 46.02 46.08 2dmz n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2dmz s GLU 44 N -5.40 1.70 -0.33 1.61 2.12 -1.26 -4.80 118.70 112.33 2dmz s GLU 44 Ca 0.16 -1.87 -0.31 0.00 0.36 0.00 0.00 54.97 53.31 2dmz s GLU 44 Cb -0.07 -1.47 -0.13 0.00 0.26 0.00 0.00 34.13 32.72 2dmz s GLU 44 CO 0.20 0.10 1.06 0.00 -0.54 0.00 0.00 175.26 176.08 2dmz n ALA 45 N -0.70 -0.88 -3.23 6.30 0.00 -1.26 -4.89 120.51 115.85 2dmz n ALA 45 Ca -0.05 0.33 0.04 0.00 0.00 0.00 0.00 53.44 53.75 2dmz n ALA 45 Cb 0.63 -1.27 -0.02 0.00 0.00 0.00 0.00 19.45 18.79 2dmz n ALA 45 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2dmz s SER 46 N 2.01 -0.74 0.00 0.00 1.04 -1.26 -3.93 113.70 110.82 2dmz s SER 46 Ca 0.70 0.60 0.00 0.00 0.48 0.00 0.00 55.95 57.73 2dmz s SER 46 Cb -0.99 1.68 0.00 0.00 0.10 0.00 0.00 66.02 66.80 2dmz s SER 46 CO 0.54 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 175.23 2dmz n GLY 47 N 5.34 -0.18 3.23 7.32 0.00 -0.28 -4.95 105.19 115.67 2dmz n GLY 47 Ca -0.06 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.40 2.49 0.04 -0.61 -1.09 -1.26 -0.76 121.20 119.62 2dmz s ILE 48 Ca 0.00 -0.83 0.05 0.00 -2.23 0.00 0.00 60.65 57.64 2dmz s ILE 48 Cb 0.00 -2.04 -0.02 0.00 -1.58 0.00 0.00 42.46 38.82 2dmz s ILE 48 CO 0.00 0.52 -0.14 -0.31 -1.23 0.00 0.00 174.94 173.78 2dmz s TYR 49 N 0.90 1.20 -0.76 3.97 1.51 -0.99 -0.90 117.35 122.28 2dmz s TYR 49 Ca -0.04 -0.36 -0.26 0.00 -1.01 0.00 0.00 57.07 55.41 2dmz s TYR 49 Cb -0.15 -0.71 -0.04 0.00 -0.11 0.00 0.00 41.96 40.95 2dmz s TYR 49 CO -0.02 0.03 1.93 0.08 -1.11 0.00 0.00 175.55 176.46 2dmz s VAL 50 N -0.87 3.38 0.21 0.71 1.01 -0.16 -1.47 120.40 123.22 2dmz s VAL 50 Ca 0.01 -0.09 -0.09 0.00 0.00 0.00 0.00 61.98 61.81 2dmz s VAL 50 Cb -0.08 -3.93 0.15 0.00 0.00 0.00 0.00 36.38 32.53 2dmz s VAL 50 CO 0.01 -0.89 1.84 0.50 0.00 0.00 0.00 175.10 176.56 2dmz h LYS 51 N 13.22 0.80 -2.76 2.72 1.63 -0.62 -3.30 116.57 128.25 2dmz h LYS 51 Ca -0.08 -0.05 0.09 0.00 -0.85 0.00 0.00 60.65 59.76 2dmz h LYS 51 Cb 1.08 -0.18 -0.04 0.00 -0.60 0.00 0.00 32.23 32.49 2dmz h LYS 51 CO 1.21 0.53 0.35 -1.12 -3.45 0.00 0.00 179.45 176.97 2dmz s SER 52 N -5.71 -0.14 -0.18 4.20 0.01 -1.17 -4.89 113.70 105.82 2dmz s SER 52 Ca -0.13 -0.70 -0.04 0.00 1.31 0.00 0.00 55.95 56.39 2dmz s SER 52 Cb 0.16 0.67 0.08 0.00 0.21 0.00 0.00 66.02 67.14 2dmz s SER 52 CO 0.77 -1.27 0.18 -0.69 0.41 0.00 0.00 173.24 172.64 2dmz s VAL 53 N -3.13 -0.25 -0.03 3.43 1.01 -1.26 -1.23 120.40 118.94 2dmz s VAL 53 Ca 0.14 -0.08 -0.36 0.00 0.00 0.00 0.00 61.98 61.68 2dmz s VAL 53 Cb -0.04 -0.61 -0.14 0.00 0.00 0.00 0.00 36.38 35.59 2dmz s VAL 53 CO 0.07 -0.19 1.68 -0.38 0.00 0.00 0.00 175.10 176.28 2dmz n ILE 54 N 5.31 0.27 0.97 2.22 -0.00 -1.15 -4.81 119.36 122.17 2dmz n ILE 54 Ca -0.06 -0.05 0.05 0.00 -0.00 0.00 0.00 62.75 62.69 2dmz n ILE 54 Cb 0.49 -1.48 0.30 0.00 -0.00 0.00 0.00 39.64 38.95 2dmz n ILE 54 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 2dmz n PRO 55 N 4.82 0.49 -2.01 0.38 -0.04 -1.26 -2.77 135.00 134.61 2dmz n PRO 55 Ca 0.21 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.56 2dmz n PRO 55 Cb 0.24 -1.32 0.06 0.00 -0.04 0.00 0.00 33.50 32.44 2dmz n PRO 55 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dmz n GLY 56 N -0.02 4.51 3.20 0.55 0.00 -1.26 -4.91 105.19 107.26 2dmz n GLY 56 Ca 0.08 -1.88 -0.12 0.00 0.00 0.00 0.00 46.02 44.09 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 -3.48 0.80 0.14 1.61 1.04 -1.11 -4.96 113.70 107.73 2dmz s SER 57 Ca 0.41 -1.21 -0.28 0.00 0.48 0.00 0.00 55.95 55.36 2dmz s SER 57 Cb 0.38 0.20 -0.03 0.00 0.10 0.00 0.00 66.02 66.67 2dmz s SER 57 CO -0.01 -0.65 1.58 0.00 0.98 0.00 0.00 173.24 175.14 2dmz h ALA 58 N 2.75 -0.51 -1.46 5.32 0.00 -1.59 0.97 119.26 124.74 2dmz h ALA 58 Ca -0.36 0.01 0.45 0.00 0.00 0.00 0.00 54.91 55.01 2dmz h ALA 58 Cb 1.21 0.78 -0.10 0.00 0.00 0.00 0.00 17.79 19.68 2dmz h ALA 58 CO 0.61 -0.89 0.99 0.00 0.00 0.00 0.00 179.25 179.96 2dmz h ALA 59 N 0.25 3.05 0.11 0.00 0.00 -1.81 1.20 119.26 122.07 2dmz h ALA 59 Ca 0.10 0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.77 2dmz h ALA 59 Cb 0.60 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.57 2dmz h ALA 59 CO -0.44 -1.61 -1.20 -0.92 0.00 0.00 0.00 179.25 175.08 2dmz h TYR 60 N 0.07 0.70 -0.39 0.00 3.20 -1.02 -3.15 116.97 116.37 2dmz h TYR 60 Ca 0.80 -0.46 -0.13 0.00 3.14 0.00 0.00 58.73 62.08 2dmz h TYR 60 Cb 2.78 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 40.99 2dmz h TYR 60 CO -0.00 1.33 -0.28 0.45 -1.64 0.00 0.00 178.16 178.01 2dmz h HIS 61 N 0.16 1.03 -0.24 -3.82 3.86 0.22 -3.19 115.15 113.17 2dmz h HIS 61 Ca -0.15 -0.28 0.02 0.00 -1.16 0.00 0.00 60.37 58.80 2dmz h HIS 61 Cb 1.89 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 30.11 2dmz h HIS 61 CO 0.08 1.08 0.09 -0.97 0.86 0.00 0.00 177.93 179.07 2dmz h ASN 62 N 0.69 0.11 -1.00 2.45 -1.24 -0.79 -3.47 115.58 112.32 2dmz h ASN 62 Ca 0.07 0.02 -0.04 0.00 0.71 0.00 0.00 56.30 57.06 2dmz h ASN 62 Cb 0.86 0.01 0.01 0.00 0.73 0.00 0.00 38.32 39.93 2dmz h ASN 62 CO 0.08 0.09 -0.07 0.61 -1.29 0.00 0.00 177.43 176.85 2dmz n GLY 63 N -1.18 0.58 0.00 1.57 0.00 -1.19 -4.95 105.19 100.02 2dmz n GLY 63 Ca -0.02 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.30 0.00 -3.52 1.61 8.25 -1.26 -5.00 115.22 112.00 2dmz n HIS 64 Ca -0.01 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.06 2dmz n HIS 64 Cb 0.51 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.52 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 -1.86 5.26 0.18 1.59 1.01 -1.26 -5.06 121.20 121.06 2dmz s ILE 65 Ca 0.00 0.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.73 2dmz s ILE 65 Cb 0.00 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 2dmz s ILE 65 CO 0.00 0.12 0.19 -1.10 0.00 0.00 0.00 174.94 174.15 2dmz s GLN 66 N 1.84 1.17 1.09 2.79 1.11 -1.26 -4.78 119.66 121.62 2dmz s GLN 66 Ca 0.09 -1.44 -0.21 0.00 0.01 0.00 0.00 55.36 53.81 2dmz s GLN 66 Cb -0.16 0.31 0.02 0.00 -1.01 0.00 0.00 33.01 32.17 2dmz s GLN 66 CO 0.11 -0.40 -0.45 1.33 0.01 0.00 0.00 175.29 175.89 2dmz n VAL 67 N -0.23 0.00 -3.02 1.09 0.24 -1.26 -3.55 118.33 111.60 2dmz n VAL 67 Ca -0.02 -0.22 -0.20 0.00 -2.04 0.00 0.00 64.34 61.86 2dmz n VAL 67 Cb 0.64 -0.43 0.04 0.00 -1.47 0.00 0.00 33.84 32.62 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 -0.22 -5.71 -3.87 -1.34 3.02 -1.24 -4.94 115.26 100.94 2dmz n ASN 68 Ca -0.00 -0.29 -0.18 0.00 -0.03 0.00 0.00 54.58 54.08 2dmz n ASN 68 Cb 0.66 -4.51 -0.16 0.00 -0.61 0.00 0.00 39.78 35.17 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 -2.82 0.65 -0.10 6.41 1.01 -1.23 -4.96 116.67 115.63 2dmz s ASP 69 Ca 0.31 -0.08 -0.13 0.00 0.71 0.00 0.00 52.55 53.36 2dmz s ASP 69 Cb -0.14 -0.29 -0.05 0.00 1.01 0.00 0.00 42.92 43.46 2dmz s ASP 69 CO 0.38 -0.05 0.30 -0.75 0.21 0.00 0.00 175.17 175.26 2dmz s LYS 70 N 0.76 3.97 -0.24 8.23 2.20 -1.26 -0.99 119.74 132.42 2dmz s LYS 70 Ca -0.09 0.16 -0.15 0.00 -0.36 0.00 0.00 55.97 55.52 2dmz s LYS 70 Cb -0.12 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 2dmz s LYS 70 CO -0.01 0.50 0.39 0.42 -0.36 0.00 0.00 175.35 176.29 2dmz s ILE 71 N -0.35 5.18 -0.13 5.43 1.01 -0.08 -2.52 121.20 129.75 2dmz s ILE 71 Ca 0.19 0.64 0.17 0.00 0.00 0.00 0.00 60.65 61.65 2dmz s ILE 71 Cb -0.14 -3.72 -0.24 0.00 0.01 0.00 0.00 42.46 38.37 2dmz s ILE 71 CO 0.07 0.20 0.17 1.33 0.00 0.00 0.00 174.94 176.71 2dmz n VAL 72 N 4.76 0.84 -3.64 2.92 0.24 -0.63 -4.55 118.33 118.28 2dmz n VAL 72 Ca -0.08 -0.66 -0.15 0.00 -2.04 0.00 0.00 64.34 61.41 2dmz n VAL 72 Cb 0.51 -0.34 -0.08 0.00 -1.47 0.00 0.00 33.84 32.46 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 -2.71 -1.44 -0.15 2.33 0.00 -1.16 -2.76 121.76 115.87 2dmz s ALA 73 Ca -0.08 1.30 -0.00 0.00 0.00 0.00 0.00 51.96 53.17 2dmz s ALA 73 Cb 0.07 -0.44 0.03 0.00 0.00 0.00 0.00 23.12 22.79 2dmz s ALA 73 CO 0.75 -0.31 -0.08 0.08 0.00 0.00 0.00 175.76 176.20 2dmz s VAL 74 N -0.51 1.22 -1.50 0.00 1.01 -0.44 0.09 120.40 120.26 2dmz s VAL 74 Ca -0.06 -0.55 -0.13 0.00 0.00 0.00 0.00 61.98 61.25 2dmz s VAL 74 Cb -0.03 -1.28 0.07 0.00 0.00 0.00 0.00 36.38 35.14 2dmz s VAL 74 CO 0.05 0.28 1.01 0.47 0.00 0.00 0.00 175.10 176.90 2dmz n ASP 75 N 4.86 -4.91 -0.52 3.32 9.92 0.18 -1.15 116.55 128.26 2dmz n ASP 75 Ca -0.13 -0.75 -0.05 0.00 -0.53 0.00 0.00 54.79 53.34 2dmz n ASP 75 Cb 0.49 -4.07 -0.00 0.00 -0.64 0.00 0.00 41.12 36.90 2dmz n ASP 75 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dmz n GLY 76 N -1.74 0.22 2.98 0.44 0.00 -1.26 -4.92 105.19 100.91 2dmz n GLY 76 Ca 0.02 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.03 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 1.83 -0.76 1.61 1.01 -0.30 -5.06 120.40 116.50 2dmz s VAL 77 Ca 0.00 -1.61 -0.26 0.00 0.00 0.00 0.00 61.98 60.12 2dmz s VAL 77 Cb 0.00 -2.13 -0.09 0.00 0.00 0.00 0.00 36.38 34.16 2dmz s VAL 77 CO 0.00 -0.24 2.22 0.21 0.00 0.00 0.00 175.10 177.30 2dmz s ASN 78 N 1.22 4.45 0.00 3.32 3.84 -1.26 -1.33 114.94 125.17 2dmz s ASN 78 Ca -0.02 0.01 0.09 0.00 0.21 0.00 0.00 52.86 53.15 2dmz s ASN 78 Cb -0.19 -2.54 0.28 0.00 -0.55 0.00 0.00 41.25 38.25 2dmz s ASN 78 CO -0.08 -3.28 1.23 2.30 -2.79 0.00 0.00 177.10 174.49 2dmz n ILE 79 N 8.27 0.37 -1.48 -5.21 -5.35 -1.11 -4.82 119.36 110.02 2dmz n ILE 79 Ca 0.41 -0.38 -0.13 0.00 -0.27 0.00 0.00 62.75 62.39 2dmz n ILE 79 Cb 0.47 0.19 -0.10 0.00 -1.74 0.00 0.00 39.64 38.46 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 0.33 0.22 0.00 6.28 6.02 -1.21 0.31 117.38 129.33 2dmz n GLN 80 Ca 0.10 -1.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.08 2dmz n GLN 80 Cb 0.24 -3.14 0.00 0.00 1.02 0.00 0.00 30.24 28.36 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 6.06 1.81 3.92 1.08 0.00 -1.26 -5.13 105.19 111.66 2dmz n GLY 81 Ca 0.40 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.16 2dmz n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dmz s PHE 82 N -2.00 3.24 0.42 1.61 0.40 0.15 -5.08 117.98 116.71 2dmz s PHE 82 Ca 0.00 0.59 -0.11 0.00 -0.60 0.00 0.00 56.93 56.81 2dmz s PHE 82 Cb 0.00 -2.70 -0.06 0.00 0.51 0.00 0.00 43.02 40.76 2dmz s PHE 82 CO 0.00 -0.79 0.79 0.00 0.70 0.00 0.00 175.22 175.92 2dmz s ALA 83 N -2.95 3.33 0.24 5.36 0.00 -1.26 -4.90 121.76 121.58 2dmz s ALA 83 Ca 0.53 -0.19 -0.10 0.00 0.00 0.00 0.00 51.96 52.21 2dmz s ALA 83 Cb -0.10 -2.73 0.37 0.00 0.00 0.00 0.00 23.12 20.66 2dmz s ALA 83 CO 0.44 -0.04 1.61 -0.97 0.00 0.00 0.00 175.76 176.81 2dmz h ASN 84 N 1.19 -0.57 -0.12 0.00 -0.73 -1.97 -0.02 115.58 113.37 2dmz h ASN 84 Ca -0.47 0.22 -0.08 0.00 1.87 0.00 0.00 56.30 57.84 2dmz h ASN 84 Cb 1.19 0.42 0.00 0.00 0.27 0.00 0.00 38.32 40.20 2dmz h ASN 84 CO 0.64 -0.23 -0.24 1.12 -0.37 0.00 0.00 177.43 178.34 2dmz h HIS 85 N 0.03 0.48 -0.92 0.67 2.07 -2.00 -2.75 115.15 112.74 2dmz h HIS 85 Ca 0.39 -0.17 0.27 0.00 -2.85 0.00 0.00 60.37 58.00 2dmz h HIS 85 Cb 0.64 -0.09 -0.04 0.00 2.57 0.00 0.00 27.41 30.49 2dmz h HIS 85 CO -0.53 0.86 0.70 -0.44 -3.07 0.00 0.00 177.93 175.44 2dmz h ASP 86 N -0.04 0.00 0.22 3.10 3.32 -1.49 0.13 116.42 121.65 2dmz h ASP 86 Ca 0.00 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.72 2dmz h ASP 86 Cb 0.83 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.41 2dmz h ASP 86 CO 0.05 0.00 -1.56 0.58 -1.72 0.00 0.00 179.24 176.59 2dmz h VAL 87 N 0.00 1.14 -0.24 -1.35 2.07 -0.97 -3.17 116.25 113.73 2dmz h VAL 87 Ca 0.44 -2.60 0.04 0.00 0.82 0.00 0.00 66.70 65.40 2dmz h VAL 87 Cb 1.82 2.93 -0.04 0.00 -1.52 0.00 0.00 31.29 34.48 2dmz h VAL 87 CO -0.00 0.82 -0.02 0.58 0.02 0.00 0.00 177.57 178.96 2dmz h VAL 88 N 0.09 0.80 -0.89 2.57 2.07 -0.47 -2.08 116.25 118.35 2dmz h VAL 88 Ca -0.29 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 2dmz h VAL 88 Cb 2.11 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 32.59 2dmz h VAL 88 CO 0.22 0.01 0.49 1.05 0.02 0.00 0.00 177.57 179.36 2dmz h GLU 89 N 0.05 1.23 -0.78 1.57 4.11 -1.50 -2.47 114.58 116.79 2dmz h GLU 89 Ca 0.11 -0.14 0.10 0.00 0.07 0.00 0.00 59.36 59.50 2dmz h GLU 89 Cb 0.16 -0.24 -0.08 0.00 0.50 0.00 0.00 28.75 29.09 2dmz h GLU 89 CO -0.21 0.90 0.42 0.28 0.07 0.00 0.00 179.01 180.47 2dmz h VAL 90 N 1.24 0.86 -0.34 -1.06 2.07 -1.36 0.90 116.25 118.55 2dmz h VAL 90 Ca 0.31 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.53 2dmz h VAL 90 Cb 0.03 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 2dmz h VAL 90 CO -0.05 0.13 -0.03 -0.07 0.02 0.00 0.00 177.57 177.56 2dmz h LEU 91 N 0.69 0.62 -0.61 2.57 3.38 -1.03 -2.57 115.31 118.36 2dmz h LEU 91 Ca 0.39 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2dmz h LEU 91 Cb 0.41 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2dmz h LEU 91 CO -0.27 0.80 0.35 0.03 0.09 0.00 0.00 178.44 179.44 2dmz h ARG 92 N 0.42 0.84 -0.83 1.13 3.08 -0.92 -2.48 114.38 115.62 2dmz h ARG 92 Ca 0.09 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.07 2dmz h ARG 92 Cb 0.51 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 2dmz h ARG 92 CO 0.02 0.62 0.55 -0.91 -1.07 0.00 0.00 179.97 179.18 2dmz h ASN 93 N 0.83 0.94 -2.89 7.04 2.35 -0.77 -3.43 115.58 119.64 2dmz h ASN 93 Ca 0.22 -0.02 -0.59 0.00 -0.55 0.00 0.00 56.30 55.36 2dmz h ASN 93 Cb 0.01 -0.23 0.13 0.00 0.05 0.00 0.00 38.32 38.28 2dmz h ASN 93 CO -0.04 0.68 0.14 0.00 -1.65 0.00 0.00 177.43 176.56 2dmz n ALA 94 N -2.41 0.04 -1.58 -0.83 0.00 -0.93 -5.00 120.51 109.80 2dmz n ALA 94 Ca 0.09 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.80 2dmz n ALA 94 Cb 0.04 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.43 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 1.21 0.89 0.45 0.00 0.00 -1.26 -4.98 105.19 101.50 2dmz n GLY 95 Ca 0.09 -1.85 -0.14 0.00 0.00 0.00 0.00 46.02 44.13 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 -0.48 -6.15 1.61 4.15 -1.93 -3.33 115.11 108.98 2dmz h GLN 96 Ca 0.00 0.03 -0.51 0.00 0.77 0.00 0.00 58.65 58.94 2dmz h GLN 96 Cb 0.00 0.11 -0.06 0.00 0.21 0.00 0.00 27.48 27.74 2dmz h GLN 96 CO 0.00 -0.32 1.19 0.08 -1.93 0.00 0.00 178.83 177.85 2dmz s VAL 97 N -5.72 3.57 -0.42 2.39 1.01 -1.26 -3.82 120.40 116.14 2dmz s VAL 97 Ca -0.15 0.22 -0.10 0.00 0.00 0.00 0.00 61.98 61.95 2dmz s VAL 97 Cb 0.08 -4.48 0.07 0.00 0.00 0.00 0.00 36.38 32.06 2dmz s VAL 97 CO 0.62 -1.43 0.26 -0.69 0.00 0.00 0.00 175.10 173.87 2dmz s VAL 98 N 7.30 4.35 -0.80 2.92 1.01 -0.98 -4.92 120.40 129.27 2dmz s VAL 98 Ca 0.51 -1.30 -0.19 0.00 0.00 0.00 0.00 61.98 60.99 2dmz s VAL 98 Cb -0.09 -3.63 0.12 0.00 0.00 0.00 0.00 36.38 32.78 2dmz s VAL 98 CO 0.15 -0.48 1.00 -1.00 0.00 0.00 0.00 175.10 174.78 2dmz s HIS 99 N 1.46 3.02 -0.09 5.22 3.76 -1.23 -0.39 115.29 127.04 2dmz s HIS 99 Ca 0.03 -1.15 -0.24 0.00 -0.15 0.00 0.00 55.06 53.55 2dmz s HIS 99 Cb -0.23 -4.22 -0.03 0.00 1.11 0.00 0.00 32.58 29.21 2dmz s HIS 99 CO 0.03 -1.47 0.73 -1.17 -0.85 0.00 0.00 174.74 172.01 2dmz s LEU 100 N 2.90 4.28 -0.37 0.89 1.98 0.95 0.51 118.68 129.82 2dmz s LEU 100 Ca 0.26 1.18 -0.11 0.00 -2.89 0.00 0.00 54.13 52.57 2dmz s LEU 100 Cb -0.11 -3.12 0.02 0.00 0.66 0.00 0.00 46.19 43.64 2dmz s LEU 100 CO -0.02 -0.18 0.21 -0.89 -1.89 0.00 0.00 176.35 173.58 2dmz s THR 101 N 1.10 4.71 0.20 3.68 2.01 0.11 -0.48 115.64 126.98 2dmz s THR 101 Ca 0.38 -0.72 0.09 0.00 0.31 0.00 0.00 61.69 61.75 2dmz s THR 101 Cb -0.18 -3.58 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 2dmz s THR 101 CO 0.17 -0.18 -0.17 -0.76 -0.69 0.00 0.00 174.62 172.99 2dmz s LEU 102 N 1.59 2.51 -0.15 4.42 1.02 -1.11 -1.60 118.68 125.35 2dmz s LEU 102 Ca 0.03 -0.95 -0.02 0.00 0.02 0.00 0.00 54.13 53.20 2dmz s LEU 102 Cb -0.19 -0.84 0.05 0.00 0.02 0.00 0.00 46.19 45.24 2dmz s LEU 102 CO 0.07 -0.06 0.02 0.54 0.02 0.00 0.00 176.35 176.94 2dmz s VAL 103 N -2.46 0.47 0.21 -1.59 0.11 -1.05 -2.16 120.40 113.93 2dmz s VAL 103 Ca 0.21 -0.33 0.08 0.00 -2.93 0.00 0.00 61.98 59.01 2dmz s VAL 103 Cb -0.04 -0.87 -0.04 0.00 -1.53 0.00 0.00 36.38 33.90 2dmz s VAL 103 CO 0.08 -0.06 -0.01 0.00 -3.33 0.00 0.00 175.10 171.79 2dmz s ARG 104 N 1.90 2.34 0.18 1.54 1.70 -1.10 -4.18 118.95 121.33 2dmz s ARG 104 Ca 0.01 -1.24 -0.31 0.00 -0.47 0.00 0.00 55.73 53.72 2dmz s ARG 104 Cb -0.15 -2.26 -0.10 0.00 -0.57 0.00 0.00 34.95 31.87 2dmz s ARG 104 CO -0.07 0.42 1.48 0.50 -1.08 0.00 0.00 175.30 176.55 2dmz s ARG 105 N -3.24 4.26 1.06 3.89 3.52 -1.26 -0.78 118.95 126.40 2dmz s ARG 105 Ca 0.29 2.28 -0.17 0.00 -0.13 0.00 0.00 55.73 57.99 2dmz s ARG 105 Cb -0.08 -3.16 0.23 0.00 -1.56 0.00 0.00 34.95 30.38 2dmz s ARG 105 CO 0.19 -0.50 1.21 0.15 -0.81 0.00 0.00 175.30 175.54 2dmz s LYS 106 N 0.64 -0.13 -0.02 5.12 1.02 -0.42 -4.84 119.74 121.11 2dmz s LYS 106 Ca 0.65 -0.20 -0.00 0.00 0.02 0.00 0.00 55.97 56.44 2dmz s LYS 106 Cb -0.42 -1.74 -0.01 0.00 -0.52 0.00 0.00 37.83 35.15 2dmz s LYS 106 CO 0.35 -2.96 -0.02 -2.37 -0.92 0.00 0.00 175.35 169.42 2dmz n THR 107 N -4.20 0.10 -3.86 2.17 5.66 -1.26 -5.00 114.28 107.89 2dmz n THR 107 Ca 0.14 -0.03 -0.12 0.00 -3.05 0.00 0.00 64.05 60.99 2dmz n THR 107 Cb 0.59 -0.98 -0.12 0.00 -1.55 0.00 0.00 70.33 68.27 2dmz n THR 107 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2dmz s SER 108 N -4.61 -0.05 -0.37 1.09 0.01 -1.26 -5.11 113.70 103.41 2dmz s SER 108 Ca -0.02 0.05 -0.28 0.00 1.31 0.00 0.00 55.95 57.00 2dmz s SER 108 Cb 0.01 0.21 -0.02 0.00 0.21 0.00 0.00 66.02 66.43 2dmz s SER 108 CO 0.04 -0.14 1.77 -0.44 0.41 0.00 0.00 173.24 174.88 2dmz s SER 109 N -0.42 5.86 0.05 2.44 0.01 -1.26 -4.76 113.70 115.62 2dmz s SER 109 Ca -0.05 1.15 0.00 0.00 1.31 0.00 0.00 55.95 58.36 2dmz s SER 109 Cb -0.03 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2dmz s SER 109 CO 0.00 -1.76 0.00 -0.24 0.41 0.00 0.00 173.24 171.65 2dmz n SER 110 N 10.43 0.55 -3.68 2.44 2.88 -1.26 -4.83 113.62 120.14 2dmz n SER 110 Ca 0.22 0.07 -0.10 0.00 -1.33 0.00 0.00 58.87 57.73 2dmz n SER 110 Cb 0.47 -0.17 -0.11 0.00 -0.75 0.00 0.00 64.21 63.66 2dmz n SER 110 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2dmz s THR 111 N -2.00 -0.24 0.35 2.46 2.01 -1.26 -4.50 115.64 112.46 2dmz s THR 111 Ca 0.00 0.13 -0.27 0.00 0.31 0.00 0.00 61.69 61.86 2dmz s THR 111 Cb 0.00 -0.62 -0.09 0.00 0.01 0.00 0.00 72.50 71.80 2dmz s THR 111 CO 0.00 0.05 1.17 -0.55 -0.69 0.00 0.00 174.62 174.60 2dmz s SER 112 N 1.83 6.79 1.08 3.53 0.15 -1.26 -5.04 113.70 120.79 2dmz s SER 112 Ca -0.07 2.38 -0.07 0.00 0.70 0.00 0.00 55.95 58.89 2dmz s SER 112 Cb -0.10 -2.62 0.10 0.00 -1.71 0.00 0.00 66.02 61.69 2dmz s SER 112 CO -0.12 -0.49 0.36 -0.81 1.20 0.00 0.00 173.24 173.38 2dmz n PRO 113 N 0.52 -1.73 -0.12 5.44 -0.04 -1.26 -5.03 135.00 132.78 2dmz n PRO 113 Ca 0.02 -0.58 -0.25 0.00 -0.04 0.00 0.00 63.50 62.65 2dmz n PRO 113 Cb 0.45 -0.54 -0.11 0.00 -0.04 0.00 0.00 33.50 33.26 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 1.93 -3.34 1.53 4.77 -1.26 -4.77 117.00 115.85 2dmz n LEU 114 Ca 0.05 0.38 -0.26 0.00 -0.03 0.00 0.00 56.01 56.15 2dmz n LEU 114 Cb 0.20 -0.91 -0.08 0.00 -2.33 0.00 0.00 43.42 40.29 2dmz n LEU 114 CO 0.14 0.42 -0.22 -0.62 -1.33 0.00 0.00 177.39 175.78 2dmz n GLU 115 N -4.32 0.99 -2.25 3.23 -0.58 -1.26 -5.12 120.64 111.33 2dmz n GLU 115 Ca -0.42 -3.57 -0.40 0.00 -0.42 0.00 0.00 57.16 52.35 2dmz n GLU 115 Cb 0.78 -1.60 -0.03 0.00 -0.57 0.00 0.00 31.44 30.02 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 -1.12 4.38 1.22 3.49 0.04 -1.26 -4.97 135.00 136.79 2dmz s PRO 116 Ca 0.34 2.02 -0.20 0.00 0.04 0.00 0.00 61.00 63.21 2dmz s PRO 116 Cb 0.11 -3.03 0.30 0.00 0.04 0.00 0.00 34.50 31.92 2dmz s PRO 116 CO -0.12 -0.09 1.11 -1.25 0.04 0.00 0.00 177.00 176.69 2dmz s PRO 117 N -1.78 -1.40 -0.25 0.56 0.04 -1.26 -5.04 135.00 125.87 2dmz s PRO 117 Ca 0.49 -0.13 -0.03 0.00 0.04 0.00 0.00 61.00 61.37 2dmz s PRO 117 Cb -0.36 -1.58 0.02 0.00 0.04 0.00 0.00 34.50 32.62 2dmz s PRO 117 CO 0.47 -3.81 -0.04 -1.54 0.04 0.00 0.00 177.00 172.11 2dmz s SER 118 N -3.95 4.42 0.04 6.66 1.04 -1.26 -4.98 113.70 115.67 2dmz s SER 118 Ca 0.72 -0.80 -0.28 0.00 0.48 0.00 0.00 55.95 56.06 2dmz s SER 118 Cb -0.09 -1.70 0.10 0.00 0.10 0.00 0.00 66.02 64.44 2dmz s SER 118 CO 0.56 -0.13 1.20 -1.81 0.98 0.00 0.00 173.24 174.05 2dmz s ASP 119 N 1.36 -0.05 0.30 7.02 1.01 -1.26 -5.19 116.67 119.86 2dmz s ASP 119 Ca 0.01 -0.27 0.08 0.00 0.71 0.00 0.00 52.55 53.09 2dmz s ASP 119 Cb -0.16 0.25 -0.06 0.00 1.01 0.00 0.00 42.92 43.96 2dmz s ASP 119 CO -0.03 -0.49 -0.09 0.00 0.21 0.00 0.00 175.17 174.77 2dmz s ARG 120 N -2.43 1.65 0.15 8.23 1.70 -1.26 -4.92 118.95 122.07 2dmz s ARG 120 Ca 0.18 -1.83 0.03 0.00 -0.47 0.00 0.00 55.73 53.64 2dmz s ARG 120 Cb 0.02 -1.42 -0.03 0.00 -0.57 0.00 0.00 34.95 32.95 2dmz s ARG 120 CO -0.01 0.12 0.28 0.20 -1.08 0.00 0.00 175.30 174.81 2dmz s GLY 121 N -3.50 1.68 0.28 3.88 0.00 -1.26 -5.03 107.32 103.37 2dmz s GLY 121 Ca 0.30 -1.05 -0.00 0.00 0.00 0.00 0.00 44.72 43.97 2dmz s GLY 121 CO 0.14 -1.05 0.31 -0.51 0.00 0.00 0.00 173.10 171.99 2dmz s THR 122 N -1.75 0.00 -0.17 0.90 -4.23 -1.26 -5.16 115.64 103.97 2dmz s THR 122 Ca 0.34 -1.82 -0.03 0.00 -1.18 0.00 0.00 61.69 59.00 2dmz s THR 122 Cb -0.11 -2.50 -0.02 0.00 1.34 0.00 0.00 72.50 71.21 2dmz s THR 122 CO 0.28 0.00 -0.05 0.68 -0.54 0.00 0.00 174.62 175.00 2dmz s VAL 123 N -3.65 3.71 -0.18 2.29 -7.23 -1.26 -5.08 120.40 108.99 2dmz s VAL 123 Ca 0.35 -0.41 -0.31 0.00 -1.81 0.00 0.00 61.98 59.80 2dmz s VAL 123 Cb 0.03 -2.63 0.14 0.00 0.56 0.00 0.00 36.38 34.48 2dmz s VAL 123 CO 0.18 0.48 1.13 -0.55 -0.31 0.00 0.00 175.10 176.03 2dmz s SER 124 N 0.61 -0.23 0.00 4.85 0.15 -1.26 -5.18 113.70 112.65 2dmz s SER 124 Ca -0.03 0.17 0.03 0.00 0.70 0.00 0.00 55.95 56.82 2dmz s SER 124 Cb -0.15 0.20 -0.01 0.00 -1.71 0.00 0.00 66.02 64.36 2dmz s SER 124 CO 0.03 -0.27 -0.10 -0.83 1.20 0.00 0.00 173.24 173.27 2dmz s GLY 125 N -1.50 0.53 0.24 9.45 0.00 -1.26 -5.04 107.32 109.74 2dmz s GLY 125 Ca 0.04 -0.51 0.01 0.00 0.00 0.00 0.00 44.72 44.27 2dmz s GLY 125 CO -0.04 -0.46 1.61 -0.56 0.00 0.00 0.00 173.10 173.66 2dmz h PRO 126 N 5.63 0.43 -6.00 2.90 0.13 -2.04 -3.47 132.00 129.60 2dmz h PRO 126 Ca -0.33 -0.23 -0.45 0.00 -0.87 0.00 0.00 66.00 64.13 2dmz h PRO 126 Cb 1.18 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.22 2dmz h PRO 126 CO 0.48 0.79 -0.68 0.45 -0.23 0.00 0.00 178.00 178.81 2dmz n SER 127 N -4.01 -3.99 0.03 1.44 2.88 -1.26 -4.86 113.62 103.85 2dmz n SER 127 Ca -0.02 -0.66 -0.19 0.00 -1.33 0.00 0.00 58.87 56.68 2dmz n SER 127 Cb 0.52 -3.25 -0.14 0.00 -0.75 0.00 0.00 64.21 60.59 2dmz n SER 127 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 2dmz h SER 128 N -1.42 0.38 -0.01 -3.46 0.87 -2.06 -3.58 113.55 104.27 2dmz h SER 128 Ca -0.51 -0.96 0.00 0.00 -1.23 0.00 0.00 61.79 59.09 2dmz h SER 128 Cb 1.34 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.18 2dmz h SER 128 CO 0.64 1.31 0.00 0.61 -0.53 0.00 0.00 176.83 178.86