#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wmz n GLN 2 N 0.00 1.99 -3.04 -3.83 3.00 -1.26 -5.01 117.38 109.23 1wmz n GLN 2 Ca 0.00 -3.14 -0.36 0.00 -0.01 0.00 0.00 57.00 53.50 1wmz n GLN 2 Cb 0.00 -1.84 -0.06 0.00 0.00 0.00 0.00 30.24 28.34 1wmz n GLN 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1wmz n PRO 4 N 0.47 0.41 -1.67 0.00 -0.02 -1.26 -4.89 135.00 128.03 1wmz n PRO 4 Ca -0.00 0.18 -0.44 0.00 -2.02 0.00 0.00 63.50 61.22 1wmz n PRO 4 Cb 0.51 -1.99 -0.02 0.00 -0.02 0.00 0.00 33.50 31.98 1wmz n PRO 4 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1wmz n THR 5 N -2.39 1.07 -0.96 3.45 -1.04 -1.26 -1.72 114.28 111.44 1wmz n THR 5 Ca 0.11 -0.27 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 1wmz n THR 5 Cb 0.49 -1.50 0.00 0.00 -1.82 0.00 0.00 70.33 67.51 1wmz n THR 5 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1wmz n ASP 6 N 2.00 -1.76 -4.63 8.00 8.00 -1.26 -5.03 116.55 121.88 1wmz n ASP 6 Ca 0.11 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.31 1wmz n ASP 6 Cb 0.32 -0.69 -0.09 0.00 -0.02 0.00 0.00 41.12 40.64 1wmz n ASP 6 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 1wmz s TRP 7 N -2.67 2.86 -0.06 1.24 0.52 -0.70 -4.80 118.94 115.34 1wmz s TRP 7 Ca 0.00 -0.09 -0.01 0.00 0.02 0.00 0.00 56.10 56.02 1wmz s TRP 7 Cb 0.00 -1.49 -0.03 0.00 -1.15 0.00 0.00 33.47 30.80 1wmz s TRP 7 CO 0.00 0.45 -0.00 -1.21 0.02 0.00 0.00 176.95 176.21 1wmz s GLU 8 N -2.24 2.91 -0.02 4.98 0.41 0.45 -4.74 118.70 120.45 1wmz s GLU 8 Ca 0.23 -0.48 -0.15 0.00 -0.41 0.00 0.00 54.97 54.16 1wmz s GLU 8 Cb -0.11 -2.74 -0.05 0.00 -1.78 0.00 0.00 34.13 29.44 1wmz s GLU 8 CO 0.16 0.67 0.40 0.00 -0.49 0.00 0.00 175.26 176.00 1wmz s ALA 9 N -0.95 3.68 -0.30 5.21 0.00 -1.26 -0.19 121.76 127.95 1wmz s ALA 9 Ca 0.15 -0.24 -0.10 0.00 0.00 0.00 0.00 51.96 51.78 1wmz s ALA 9 Cb -0.11 -2.39 0.13 0.00 0.00 0.00 0.00 23.12 20.74 1wmz s ALA 9 CO 0.05 0.44 0.65 -2.00 0.00 0.00 0.00 175.76 174.90 1wmz s GLU 10 N -0.90 0.58 6.10 0.00 2.56 -0.83 -4.99 118.70 121.22 1wmz s GLU 10 Ca 0.23 1.45 0.00 0.00 0.00 0.00 0.00 54.97 56.65 1wmz s GLU 10 Cb -0.16 0.86 0.00 0.00 2.00 0.00 0.00 34.13 36.83 1wmz s GLU 10 CO 0.12 -0.20 0.00 0.41 -0.56 0.00 0.00 175.26 175.04 1wmz n GLY 11 N 5.43 2.65 1.66 -1.50 0.00 -1.26 -2.11 105.19 110.07 1wmz n GLY 11 Ca -0.12 -0.40 -0.08 0.00 0.00 0.00 0.00 46.02 45.41 1wmz n GLY 11 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wmz n ASP 12 N 2.40 3.71 -4.21 1.61 8.00 -1.26 -4.93 116.55 121.87 1wmz n ASP 12 Ca 0.00 -2.89 -0.12 0.00 0.71 0.00 0.00 54.79 52.48 1wmz n ASP 12 Cb 0.00 -0.69 -0.10 0.00 -0.02 0.00 0.00 41.12 40.31 1wmz n ASP 12 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1wmz s HIS 13 N -2.15 1.10 0.08 1.24 3.76 -0.90 -4.63 115.29 113.79 1wmz s HIS 13 Ca 0.37 -1.06 0.09 0.00 -0.15 0.00 0.00 55.06 54.31 1wmz s HIS 13 Cb 0.30 -0.63 -0.03 0.00 1.11 0.00 0.00 32.58 33.33 1wmz s HIS 13 CO 0.08 -0.28 -0.25 0.00 -0.85 0.00 0.00 174.74 173.45 1wmz s TYR 15 N -0.94 1.26 -0.13 0.00 1.51 0.73 -0.43 117.35 119.36 1wmz s TYR 15 Ca 0.11 -0.47 -0.05 0.00 -1.01 0.00 0.00 57.07 55.65 1wmz s TYR 15 Cb -0.10 -0.70 0.06 0.00 -0.11 0.00 0.00 41.96 41.11 1wmz s TYR 15 CO 0.04 0.07 0.26 0.50 -1.11 0.00 0.00 175.55 175.31 1wmz s ARG 16 N -1.87 0.15 0.02 -0.62 3.52 -0.36 -0.41 118.95 119.38 1wmz s ARG 16 Ca -0.00 0.73 -0.25 0.00 -0.13 0.00 0.00 55.73 56.08 1wmz s ARG 16 Cb -0.09 -0.04 -0.05 0.00 -1.56 0.00 0.00 34.95 33.21 1wmz s ARG 16 CO 0.02 -0.28 0.77 0.12 -0.81 0.00 0.00 175.30 175.13 1wmz s PHE 17 N 2.33 3.70 -0.23 5.12 5.36 -1.26 -0.66 117.98 132.34 1wmz s PHE 17 Ca 0.00 1.46 0.02 0.00 -0.96 0.00 0.00 56.93 57.45 1wmz s PHE 17 Cb -0.12 -2.85 0.04 0.00 -0.34 0.00 0.00 43.02 39.76 1wmz s PHE 17 CO -0.09 0.21 -0.13 -0.06 -1.46 0.00 0.00 175.22 173.69 1wmz s PHE 18 N 0.19 3.09 -1.36 10.12 0.08 -0.20 -5.01 117.98 124.90 1wmz s PHE 18 Ca 0.40 -2.04 -0.07 0.00 0.12 0.00 0.00 56.93 55.33 1wmz s PHE 18 Cb -0.20 -1.94 0.10 0.00 -0.57 0.00 0.00 43.02 40.41 1wmz s PHE 18 CO 0.23 -0.84 2.31 -1.71 -0.10 0.00 0.00 175.22 175.10 1wmz n ASN 19 N 4.51 7.12 -3.85 1.36 2.85 -1.26 -2.62 115.26 123.37 1wmz n ASN 19 Ca -0.17 -3.05 -0.22 0.00 -0.11 0.00 0.00 54.58 51.04 1wmz n ASN 19 Cb 0.45 -1.43 -0.17 0.00 1.24 0.00 0.00 39.78 39.87 1wmz n ASN 19 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1wmz s THR 20 N -0.11 0.54 -0.07 -0.44 2.01 -1.26 -5.07 115.64 111.23 1wmz s THR 20 Ca 0.52 -0.05 -0.30 0.00 0.31 0.00 0.00 61.69 62.17 1wmz s THR 20 Cb 0.16 -0.62 -0.04 0.00 0.01 0.00 0.00 72.50 72.01 1wmz s THR 20 CO -0.06 0.26 1.34 -0.76 -0.69 0.00 0.00 174.62 174.70 1wmz s LEU 21 N 1.43 4.27 0.35 4.42 1.43 -1.26 -4.10 118.68 125.22 1wmz s LEU 21 Ca -0.03 1.93 -0.06 0.00 -1.03 0.00 0.00 54.13 54.94 1wmz s LEU 21 Cb -0.13 -3.55 0.02 0.00 0.03 0.00 0.00 46.19 42.55 1wmz s LEU 21 CO -0.03 -0.72 0.55 0.28 0.23 0.00 0.00 176.35 176.66 1wmz s THR 22 N 2.85 0.00 0.64 5.49 -1.32 -0.70 -4.87 115.64 117.73 1wmz s THR 22 Ca 0.60 -1.45 -0.12 0.00 -1.21 0.00 0.00 61.69 59.52 1wmz s THR 22 Cb -0.27 -2.69 -0.03 0.00 -1.51 0.00 0.00 72.50 68.00 1wmz s THR 22 CO 0.22 0.00 1.04 0.42 -2.21 0.00 0.00 174.62 174.09 1wmz s THR 23 N -2.89 4.42 0.23 5.08 -4.23 -1.26 -1.75 115.64 115.25 1wmz s THR 23 Ca 0.27 0.83 -0.07 0.00 -1.18 0.00 0.00 61.69 61.54 1wmz s THR 23 Cb -0.02 -3.68 0.20 0.00 1.34 0.00 0.00 72.50 70.34 1wmz s THR 23 CO 0.18 -0.98 1.86 -0.25 -0.54 0.00 0.00 174.62 174.89 1wmz h TRP 24 N -0.32 0.97 -0.83 3.99 7.01 -1.83 -1.21 115.95 123.73 1wmz h TRP 24 Ca -0.44 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.56 1wmz h TRP 24 Cb 1.20 -0.32 -0.04 0.00 -2.10 0.00 0.00 29.16 27.90 1wmz h TRP 24 CO 0.64 0.54 0.44 1.49 -2.79 0.00 0.00 178.44 178.76 1wmz h GLU 25 N 0.99 1.16 0.10 2.65 4.57 -1.93 0.64 114.58 122.77 1wmz h GLU 25 Ca 0.34 -0.14 -0.28 0.00 -1.18 0.00 0.00 59.36 58.10 1wmz h GLU 25 Cb 0.06 -0.22 0.02 0.00 -0.16 0.00 0.00 28.75 28.45 1wmz h GLU 25 CO -0.13 0.86 -1.20 -0.97 -1.18 0.00 0.00 179.01 176.39 1wmz h ASN 26 N 1.16 0.72 -0.75 1.04 -1.24 -1.86 -2.27 115.58 112.38 1wmz h ASN 26 Ca 0.29 -0.67 0.05 0.00 0.71 0.00 0.00 56.30 56.68 1wmz h ASN 26 Cb 0.05 -0.23 -0.05 0.00 0.73 0.00 0.00 38.32 38.82 1wmz h ASN 26 CO -0.04 1.49 0.45 0.00 -1.29 0.00 0.00 177.43 178.04 1wmz h ALA 27 N 0.44 1.00 0.19 1.57 0.00 -0.96 -0.01 119.26 121.48 1wmz h ALA 27 Ca -0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1wmz h ALA 27 Cb 1.87 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.46 1wmz h ALA 27 CO 0.22 0.19 -0.09 1.25 0.00 0.00 0.00 179.25 180.82 1wmz h HIS 28 N 0.85 -0.24 -0.92 0.00 -0.00 -0.84 -1.32 115.15 112.69 1wmz h HIS 28 Ca 0.32 -0.01 0.06 0.00 -0.00 0.00 0.00 60.37 60.74 1wmz h HIS 28 Cb 0.11 0.08 -0.06 0.00 -0.00 0.00 0.00 27.41 27.54 1wmz h HIS 28 CO -0.05 -0.11 0.58 1.25 -0.00 0.00 0.00 177.93 179.60 1wmz h HIS 29 N -0.31 1.07 -0.14 5.26 6.17 -1.27 -1.08 115.15 124.86 1wmz h HIS 29 Ca -0.03 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.07 1wmz h HIS 29 Cb 0.24 -0.35 -0.01 0.00 2.52 0.00 0.00 27.41 29.81 1wmz h HIS 29 CO -0.05 0.55 0.05 0.93 0.71 0.00 0.00 177.93 180.13 1wmz h GLU 30 N 1.06 0.21 -0.45 5.26 4.39 -0.81 -1.90 114.58 122.33 1wmz h GLU 30 Ca 0.40 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 60.04 1wmz h GLU 30 Cb 0.16 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1wmz h GLU 30 CO -0.17 0.31 0.20 0.00 -1.16 0.00 0.00 179.01 178.19 1wmz h VAL 32 N 0.58 1.14 0.00 0.00 2.07 -1.08 -2.78 116.25 116.17 1wmz h VAL 32 Ca 0.15 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1wmz h VAL 32 Cb 0.14 1.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1wmz h VAL 32 CO -0.02 0.19 0.00 0.77 0.02 0.00 0.00 177.57 178.53 1wmz h SER 33 N 0.16 0.00 1.19 0.57 4.64 -0.78 -1.25 113.55 118.08 1wmz h SER 33 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1wmz h SER 33 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1wmz h SER 33 CO 0.02 0.00 0.00 -1.22 -0.87 0.00 0.00 176.83 174.76 1wmz n TYR 34 N -3.02 0.43 -1.17 4.77 4.02 -1.05 -4.94 117.16 116.19 1wmz n TYR 34 Ca -0.02 0.13 -0.34 0.00 -0.01 0.00 0.00 57.90 57.65 1wmz n TYR 34 Cb 0.12 -0.71 0.11 0.00 -0.02 0.00 0.00 39.34 38.84 1wmz n TYR 34 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1wmz n SER 35 N -1.85 0.32 -3.61 7.72 7.64 -0.47 -4.79 113.62 118.57 1wmz n SER 35 Ca 0.06 0.59 -0.27 0.00 1.01 0.00 0.00 58.87 60.26 1wmz n SER 35 Cb 0.37 -1.42 -0.16 0.00 -1.01 0.00 0.00 64.21 61.99 1wmz n SER 35 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wmz h SER 37 N 8.39 0.31 0.23 0.00 0.87 -1.95 -0.41 113.55 121.00 1wmz h SER 37 Ca -0.16 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.28 1wmz h SER 37 Cb 1.11 -0.08 -0.00 0.00 -0.44 0.00 0.00 62.40 62.98 1wmz h SER 37 CO 0.33 0.58 -0.07 0.71 -0.53 0.00 0.00 176.83 177.85 1wmz h THR 38 N 0.28 0.50 -0.22 2.23 1.35 -1.96 -2.28 112.91 112.82 1wmz h THR 38 Ca 0.04 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1wmz h THR 38 Cb 0.62 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 1wmz h THR 38 CO 0.04 0.07 0.00 0.18 -0.25 0.00 0.00 175.52 175.56 1wmz n LEU 39 N -3.66 2.51 -4.03 3.87 4.77 -1.10 -4.99 117.00 114.37 1wmz n LEU 39 Ca -0.02 -1.72 -0.30 0.00 -0.03 0.00 0.00 56.01 53.94 1wmz n LEU 39 Cb 0.17 -0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 41.11 1wmz n LEU 39 CO 0.28 0.60 -0.09 0.59 -1.33 0.00 0.00 177.39 177.45 1wmz n ASN 40 N 0.41 -2.28 -4.51 -1.43 3.02 -0.84 -4.79 115.26 104.83 1wmz n ASN 40 Ca 0.09 -0.96 -0.42 0.00 -0.03 0.00 0.00 54.58 53.26 1wmz n ASN 40 Cb 0.35 -3.15 -0.08 0.00 -0.61 0.00 0.00 39.78 36.29 1wmz n ASN 40 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1wmz s VAL 41 N -3.58 5.04 -0.03 2.41 1.01 -0.22 -1.28 120.40 123.76 1wmz s VAL 41 Ca 0.40 -0.07 -0.29 0.00 0.00 0.00 0.00 61.98 62.02 1wmz s VAL 41 Cb -0.21 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 1wmz s VAL 41 CO 0.89 -0.36 0.93 -0.60 0.00 0.00 0.00 175.10 175.96 1wmz s ARG 42 N 2.28 4.52 -0.09 2.72 3.52 -0.29 -0.61 118.95 131.00 1wmz s ARG 42 Ca 0.15 1.31 0.01 0.00 -0.13 0.00 0.00 55.73 57.07 1wmz s ARG 42 Cb -0.16 -3.47 -0.02 0.00 -1.56 0.00 0.00 34.95 29.73 1wmz s ARG 42 CO 0.14 -0.07 -0.10 0.45 -0.81 0.00 0.00 175.30 174.91 1wmz s SER 43 N 0.99 4.32 0.27 -2.12 0.15 -1.26 -0.50 113.70 115.55 1wmz s SER 43 Ca 0.49 -0.16 -0.21 0.00 0.70 0.00 0.00 55.95 56.76 1wmz s SER 43 Cb -0.20 -1.26 0.02 0.00 -1.71 0.00 0.00 66.02 62.88 1wmz s SER 43 CO 0.25 0.28 0.72 -0.62 1.20 0.00 0.00 173.24 175.07 1wmz s ASP 44 N -0.35 -0.28 0.54 5.45 3.68 -0.84 -3.55 116.67 121.32 1wmz s ASP 44 Ca 0.04 -0.57 -0.21 0.00 2.13 0.00 0.00 52.55 53.94 1wmz s ASP 44 Cb -0.12 0.72 -0.06 0.00 -1.45 0.00 0.00 42.92 42.00 1wmz s ASP 44 CO 0.02 -1.32 1.15 0.18 0.13 0.00 0.00 175.17 175.34 1wmz n LEU 45 N -0.45 4.35 -4.70 -1.34 4.77 -1.26 -0.69 117.00 117.67 1wmz n LEU 45 Ca -0.05 0.93 -0.43 0.00 -0.03 0.00 0.00 56.01 56.42 1wmz n LEU 45 Cb 0.59 -1.47 -0.03 0.00 -2.33 0.00 0.00 43.42 40.18 1wmz n LEU 45 CO 0.15 -1.20 1.34 0.55 -1.33 0.00 0.00 177.39 176.89 1wmz n VAL 46 N -1.19 0.05 -3.97 4.08 3.14 -0.92 -4.28 118.33 115.25 1wmz n VAL 46 Ca 0.11 -0.01 -0.31 0.00 -2.96 0.00 0.00 64.34 61.18 1wmz n VAL 46 Cb 0.45 -1.88 -0.05 0.00 -1.06 0.00 0.00 33.84 31.30 1wmz n VAL 46 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1wmz s SER 47 N 1.34 6.05 -0.12 6.55 1.04 -1.26 -0.60 113.70 126.70 1wmz s SER 47 Ca 0.77 0.16 0.00 0.00 0.48 0.00 0.00 55.95 57.37 1wmz s SER 47 Cb -0.55 -1.78 0.02 0.00 0.10 0.00 0.00 66.02 63.81 1wmz s SER 47 CO 0.35 0.16 -0.11 -0.69 0.98 0.00 0.00 173.24 173.93 1wmz s VAL 48 N -1.48 1.28 0.00 5.02 1.01 -1.26 -5.02 120.40 119.95 1wmz s VAL 48 Ca 0.33 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.84 1wmz s VAL 48 Cb -0.13 -1.22 0.00 0.00 0.00 0.00 0.00 36.38 35.03 1wmz s VAL 48 CO 0.26 0.40 0.86 1.41 0.00 0.00 0.00 175.10 178.03 1wmz n HIS 49 N 4.63 0.00 -3.64 5.22 8.25 -1.26 -4.62 115.22 123.79 1wmz n HIS 49 Ca -0.16 -0.37 -0.05 0.00 -0.26 0.00 0.00 57.72 56.88 1wmz n HIS 49 Cb 0.50 -0.04 -0.02 0.00 1.12 0.00 0.00 29.99 31.56 1wmz n HIS 49 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1wmz s SER 50 N -0.73 -0.23 0.30 0.41 1.04 -1.26 -4.46 113.70 108.77 1wmz s SER 50 Ca 0.00 -0.22 0.01 0.00 0.48 0.00 0.00 55.95 56.23 1wmz s SER 50 Cb 0.00 0.40 0.48 0.00 0.10 0.00 0.00 66.02 67.00 1wmz s SER 50 CO 0.00 -0.71 1.83 0.00 0.98 0.00 0.00 173.24 175.34 1wmz h ALA 51 N 2.00 1.26 -0.40 5.32 0.00 -1.97 0.28 119.26 125.75 1wmz h ALA 51 Ca -0.23 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1wmz h ALA 51 Cb 1.23 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1wmz h ALA 51 CO 0.27 0.50 0.15 0.00 0.00 0.00 0.00 179.25 180.18 1wmz h ALA 52 N 1.40 0.52 -0.42 0.00 0.00 -1.99 -0.57 119.26 118.20 1wmz h ALA 52 Ca 0.14 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1wmz h ALA 52 Cb 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1wmz h ALA 52 CO 0.01 0.14 -0.28 1.49 0.00 0.00 0.00 179.25 180.60 1wmz h GLU 53 N 0.50 0.92 -0.27 0.00 4.81 -1.86 -0.68 114.58 117.99 1wmz h GLU 53 Ca 0.13 -0.42 0.05 0.00 -0.13 0.00 0.00 59.36 58.99 1wmz h GLU 53 Cb 0.21 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 1wmz h GLU 53 CO -0.01 1.08 -0.01 0.37 -0.73 0.00 0.00 179.01 179.71 1wmz h GLN 54 N 0.77 0.07 -0.61 1.92 5.75 -0.80 -1.59 115.11 120.62 1wmz h GLN 54 Ca 0.09 -0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.51 1wmz h GLN 54 Cb 0.85 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.36 1wmz h GLN 54 CO 0.08 0.04 0.10 0.00 -2.65 0.00 0.00 178.83 176.40 1wmz h ALA 55 N 1.24 0.81 0.04 3.38 0.00 -0.83 -0.94 119.26 122.96 1wmz h ALA 55 Ca 0.13 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1wmz h ALA 55 Cb 0.18 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1wmz h ALA 55 CO -0.23 0.57 -0.02 -0.92 0.00 0.00 0.00 179.25 178.65 1wmz h TYR 56 N 0.92 -0.05 -0.13 0.00 5.03 -0.94 0.10 116.97 121.90 1wmz h TYR 56 Ca 0.18 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.49 1wmz h TYR 56 Cb 0.43 0.02 -0.01 0.00 1.55 0.00 0.00 36.73 38.72 1wmz h TYR 56 CO 0.03 0.02 0.09 0.28 -1.32 0.00 0.00 178.16 177.26 1wmz h VAL 57 N -0.10 1.05 -0.19 1.81 2.07 -1.19 0.57 116.25 120.27 1wmz h VAL 57 Ca -0.01 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1wmz h VAL 57 Cb 0.08 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1wmz h VAL 57 CO 0.01 0.04 0.09 0.15 0.02 0.00 0.00 177.57 177.88 1wmz h PHE 58 N 0.17 0.28 -0.42 1.57 3.57 -1.11 -1.31 116.94 119.69 1wmz h PHE 58 Ca 0.05 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 1wmz h PHE 58 Cb -0.00 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 1wmz h PHE 58 CO -0.06 0.30 -0.03 -0.91 -2.23 0.00 0.00 178.31 175.38 1wmz h ASN 59 N 0.18 0.67 -0.15 0.41 2.35 -0.83 0.32 115.58 118.53 1wmz h ASN 59 Ca 0.07 -0.16 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 1wmz h ASN 59 Cb 0.13 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1wmz h ASN 59 CO -0.01 0.76 0.07 0.22 -1.65 0.00 0.00 177.43 176.82 1wmz h TYR 60 N 0.65 0.22 0.43 1.19 3.20 -0.76 -1.54 116.97 120.38 1wmz h TYR 60 Ca 0.13 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 1wmz h TYR 60 Cb 0.45 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.66 1wmz h TYR 60 CO 0.02 0.27 -0.21 2.35 -1.64 0.00 0.00 178.16 178.95 1wmz h TRP 61 N 0.11 -0.55 0.00 -3.82 7.01 -0.75 -2.99 115.95 114.96 1wmz h TRP 61 Ca 0.05 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.04 1wmz h TRP 61 Cb 0.14 0.18 0.00 0.00 -2.10 0.00 0.00 29.16 27.38 1wmz h TRP 61 CO -0.02 -0.34 0.00 0.54 -2.79 0.00 0.00 178.44 175.83 1wmz n ARG 62 N -5.35 0.38 0.17 2.65 5.12 0.06 -1.03 116.66 118.67 1wmz n ARG 62 Ca -0.11 0.02 0.05 0.00 -1.93 0.00 0.00 57.85 55.88 1wmz n ARG 62 Cb 0.25 -1.50 0.21 0.00 -1.16 0.00 0.00 32.46 30.26 1wmz n ARG 62 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 1wmz h GLY 63 N 4.66 0.00 0.00 -0.13 0.00 -1.12 -3.37 103.07 103.11 1wmz h GLY 63 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 1wmz h GLY 63 CO 0.00 0.00 -2.13 1.39 0.00 0.00 0.00 176.54 175.80 1wmz n ILE 64 N -3.35 1.14 -4.14 2.60 5.41 -0.82 -4.97 119.36 115.22 1wmz n ILE 64 Ca 0.01 -0.43 -0.35 0.00 1.00 0.00 0.00 62.75 62.98 1wmz n ILE 64 Cb 0.60 -1.21 -0.13 0.00 -0.71 0.00 0.00 39.64 38.19 1wmz n ILE 64 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1wmz s ASP 65 N -5.93 4.45 0.00 4.38 3.68 -0.20 -4.98 116.67 118.07 1wmz s ASP 65 Ca -0.27 -0.30 0.03 0.00 2.13 0.00 0.00 52.55 54.14 1wmz s ASP 65 Cb 0.07 -1.75 0.08 0.00 -1.45 0.00 0.00 42.92 39.87 1wmz s ASP 65 CO 0.46 0.05 0.99 -1.54 0.13 0.00 0.00 175.17 175.26 1wmz n SER 66 N 4.31 2.10 -4.77 -0.34 3.41 -1.26 -4.26 113.62 112.81 1wmz n SER 66 Ca -0.18 -1.85 -0.38 0.00 -0.26 0.00 0.00 58.87 56.21 1wmz n SER 66 Cb 0.52 -0.06 -0.01 0.00 -0.26 0.00 0.00 64.21 64.40 1wmz n SER 66 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1wmz s GLN 67 N -0.87 3.88 0.32 4.33 -0.21 -1.26 -5.00 119.66 120.85 1wmz s GLN 67 Ca 0.06 1.81 -0.29 0.00 0.02 0.00 0.00 55.36 56.97 1wmz s GLN 67 Cb 0.03 -2.53 -0.12 0.00 1.00 0.00 0.00 33.01 31.40 1wmz s GLN 67 CO 0.05 -0.46 1.46 0.00 -2.12 0.00 0.00 175.29 174.22 1wmz n ALA 68 N -0.24 1.98 0.00 6.09 0.00 -1.26 -4.88 120.51 122.20 1wmz n ALA 68 Ca 0.06 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1wmz n ALA 68 Cb 0.47 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.55 1wmz n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wmz n GLY 69 N 1.35 -0.76 3.62 0.00 0.00 -1.26 -5.09 105.19 103.06 1wmz n GLY 69 Ca 0.06 -1.51 -0.28 0.00 0.00 0.00 0.00 46.02 44.29 1wmz n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wmz s GLN 70 N -1.89 1.97 -0.12 1.61 1.11 -1.26 -2.45 119.66 118.62 1wmz s GLN 70 Ca 0.00 -2.13 -0.02 0.00 0.01 0.00 0.00 55.36 53.22 1wmz s GLN 70 Cb 0.00 -1.59 0.04 0.00 -1.01 0.00 0.00 33.01 30.45 1wmz s GLN 70 CO 0.00 -0.09 0.01 -1.17 0.01 0.00 0.00 175.29 174.06 1wmz s LEU 71 N -3.71 0.80 0.40 2.90 2.96 -0.57 -1.93 118.68 119.53 1wmz s LEU 71 Ca 0.32 -0.36 -0.27 0.00 -0.22 0.00 0.00 54.13 53.60 1wmz s LEU 71 Cb 0.09 -0.50 -0.09 0.00 0.50 0.00 0.00 46.19 46.19 1wmz s LEU 71 CO 0.16 -0.23 1.38 0.26 -1.32 0.00 0.00 176.35 176.60 1wmz s TRP 72 N 1.93 2.69 0.31 5.38 0.23 0.08 -0.71 118.94 128.85 1wmz s TRP 72 Ca 0.03 1.31 0.04 0.00 -2.03 0.00 0.00 56.10 55.45 1wmz s TRP 72 Cb -0.14 -3.83 -0.06 0.00 0.03 0.00 0.00 33.47 29.47 1wmz s TRP 72 CO -0.06 -2.52 0.05 0.96 0.96 0.00 0.00 176.95 176.33 1wmz s ILE 73 N -1.19 1.19 -0.61 2.03 -4.36 -0.81 -3.94 121.20 113.51 1wmz s ILE 73 Ca 0.56 -2.01 0.00 0.00 -0.26 0.00 0.00 60.65 58.94 1wmz s ILE 73 Cb -0.42 -2.73 0.02 0.00 1.25 0.00 0.00 42.46 40.58 1wmz s ILE 73 CO 0.55 -0.05 0.72 0.61 0.24 0.00 0.00 174.94 177.01 1wmz n GLY 74 N -0.65 1.73 3.79 6.27 0.00 0.23 -4.41 105.19 112.15 1wmz n GLY 74 Ca -0.03 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 1wmz n GLY 74 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1wmz s LEU 75 N -0.06 4.34 0.06 0.99 2.96 -1.26 -0.81 118.68 124.89 1wmz s LEU 75 Ca 0.01 0.62 -0.25 0.00 -0.22 0.00 0.00 54.13 54.29 1wmz s LEU 75 Cb 0.01 -2.37 0.06 0.00 0.50 0.00 0.00 46.19 44.39 1wmz s LEU 75 CO 0.00 0.22 0.60 -0.72 -1.32 0.00 0.00 176.35 175.14 1wmz s TYR 76 N -0.25 -0.54 -0.11 5.38 1.13 -0.24 -0.27 117.35 122.45 1wmz s TYR 76 Ca 0.18 0.62 0.17 0.00 -1.41 0.00 0.00 57.07 56.63 1wmz s TYR 76 Cb -0.14 0.45 0.40 0.00 -1.10 0.00 0.00 41.96 41.57 1wmz s TYR 76 CO 0.06 -0.72 1.19 -0.40 -2.51 0.00 0.00 175.55 173.18 1wmz n ASP 77 N 0.24 1.37 -0.20 -0.18 5.75 -0.49 -1.20 116.55 121.85 1wmz n ASP 77 Ca -0.18 -2.98 -0.04 0.00 -0.01 0.00 0.00 54.79 51.58 1wmz n ASP 77 Cb 0.61 -0.41 0.06 0.00 -1.03 0.00 0.00 41.12 40.35 1wmz n ASP 77 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 1wmz h LYS 78 N 0.91 0.61 -0.03 0.11 3.64 -1.88 -3.09 116.57 116.84 1wmz h LYS 78 Ca -0.10 -0.04 -0.23 0.00 -1.27 0.00 0.00 60.65 59.01 1wmz h LYS 78 Cb 1.40 -0.14 0.02 0.00 -0.41 0.00 0.00 32.23 33.10 1wmz h LYS 78 CO 0.04 0.40 -0.89 1.88 -2.27 0.00 0.00 179.45 178.62 1wmz h TYR 79 N 0.63 0.95 -3.07 1.91 -1.99 -1.92 -3.41 116.97 110.07 1wmz h TYR 79 Ca 0.25 -0.50 -0.56 0.00 2.00 0.00 0.00 58.73 59.92 1wmz h TYR 79 Cb 0.10 -0.12 -0.40 0.00 2.00 0.00 0.00 36.73 38.31 1wmz h TYR 79 CO -0.08 1.33 -0.76 -0.80 -0.00 0.00 0.00 178.16 177.85 1wmz s ASN 80 N -7.13 3.72 -0.09 3.88 0.01 -1.21 -5.12 114.94 109.01 1wmz s ASN 80 Ca -0.11 -1.42 -0.39 0.00 -0.71 0.00 0.00 52.86 50.24 1wmz s ASN 80 Cb 0.06 -0.68 -0.17 0.00 0.41 0.00 0.00 41.25 40.88 1wmz s ASN 80 CO 0.90 -0.41 1.49 1.21 -1.51 0.00 0.00 177.10 178.78 1wmz n GLU 81 N 4.99 1.02 0.00 -0.60 4.07 -1.17 -1.17 120.64 127.79 1wmz n GLU 81 Ca -0.04 0.37 0.00 0.00 -0.06 0.00 0.00 57.16 57.43 1wmz n GLU 81 Cb 0.43 -2.02 0.00 0.00 -0.06 0.00 0.00 31.44 29.79 1wmz n GLU 81 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1wmz n GLY 82 N 3.17 2.35 3.30 8.31 0.00 -1.26 -5.00 105.19 116.05 1wmz n GLY 82 Ca 0.22 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.79 1wmz n GLY 82 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wmz s ASP 83 N -2.16 6.37 -0.00 1.61 3.68 -0.32 -5.06 116.67 120.79 1wmz s ASP 83 Ca 0.00 -2.33 -0.29 0.00 2.13 0.00 0.00 52.55 52.07 1wmz s ASP 83 Cb 0.00 -2.17 -0.03 0.00 -1.45 0.00 0.00 42.92 39.27 1wmz s ASP 83 CO 0.00 -0.67 0.92 -0.36 0.13 0.00 0.00 175.17 175.19 1wmz s PHE 84 N 0.74 3.66 0.14 -5.34 0.08 -1.26 -4.40 117.98 111.60 1wmz s PHE 84 Ca 0.12 1.61 0.04 0.00 0.12 0.00 0.00 56.93 58.82 1wmz s PHE 84 Cb -0.19 -3.05 -0.04 0.00 -0.57 0.00 0.00 43.02 39.17 1wmz s PHE 84 CO -0.04 0.03 -0.09 0.96 -0.10 0.00 0.00 175.22 175.98 1wmz s ILE 85 N 0.88 1.08 -0.00 0.64 -4.36 -0.34 -4.91 121.20 114.19 1wmz s ILE 85 Ca 0.49 -2.04 -0.17 0.00 -0.26 0.00 0.00 60.65 58.67 1wmz s ILE 85 Cb -0.20 -1.85 -0.06 0.00 1.25 0.00 0.00 42.46 41.60 1wmz s ILE 85 CO 0.26 -0.74 0.48 0.26 0.24 0.00 0.00 174.94 175.44 1wmz s TRP 86 N -3.38 3.71 0.51 1.37 0.52 -1.26 -1.08 118.94 119.33 1wmz s TRP 86 Ca 0.17 1.07 0.19 0.00 0.02 0.00 0.00 56.10 57.54 1wmz s TRP 86 Cb 0.03 -2.42 1.32 0.00 -1.15 0.00 0.00 33.47 31.25 1wmz s TRP 86 CO 0.00 0.52 2.13 1.79 0.02 0.00 0.00 176.95 181.41 1wmz h THR 87 N 3.87 0.92 0.00 2.01 1.35 -1.33 -2.05 112.91 117.68 1wmz h THR 87 Ca -0.49 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1wmz h THR 87 Cb 1.21 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 1wmz h THR 87 CO 0.65 0.05 0.00 -0.90 -0.25 0.00 0.00 175.52 175.07 1wmz n ASP 88 N -4.31 0.00 0.00 5.36 3.85 -1.26 -4.89 116.55 115.31 1wmz n ASP 88 Ca -0.03 -1.08 0.00 0.00 -0.71 0.00 0.00 54.79 52.97 1wmz n ASP 88 Cb 0.13 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.90 1wmz n ASP 88 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1wmz n GLY 89 N 0.81 0.74 3.83 6.12 0.00 -0.77 -5.03 105.19 110.89 1wmz n GLY 89 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1wmz n GLY 89 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wmz s SER 90 N -2.54 6.60 0.20 1.61 1.04 -1.26 -4.98 113.70 114.37 1wmz s SER 90 Ca 0.00 1.66 -0.30 0.00 0.48 0.00 0.00 55.95 57.80 1wmz s SER 90 Cb 0.00 -2.52 -0.08 0.00 0.10 0.00 0.00 66.02 63.52 1wmz s SER 90 CO 0.00 -0.60 0.93 -0.75 0.98 0.00 0.00 173.24 173.80 1wmz s LYS 91 N -3.74 4.79 0.08 4.02 2.20 -1.26 -4.27 119.74 121.56 1wmz s LYS 91 Ca 0.61 1.45 -0.31 0.00 -0.36 0.00 0.00 55.97 57.36 1wmz s LYS 91 Cb -0.11 -3.31 -0.06 0.00 -1.51 0.00 0.00 37.83 32.84 1wmz s LYS 91 CO 0.26 0.43 1.28 0.08 -0.36 0.00 0.00 175.35 177.04 1wmz s VAL 92 N -0.83 3.74 0.00 4.02 1.01 -1.26 -4.88 120.40 122.19 1wmz s VAL 92 Ca 0.42 1.24 0.00 0.00 0.00 0.00 0.00 61.98 63.64 1wmz s VAL 92 Cb -0.25 -3.79 0.00 0.00 0.00 0.00 0.00 36.38 32.34 1wmz s VAL 92 CO 0.31 0.09 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1wmz n GLY 93 N 3.35 0.01 3.77 4.51 0.00 -1.26 -5.07 105.19 110.50 1wmz n GLY 93 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1wmz n GLY 93 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wmz s TYR 94 N -0.31 2.71 0.07 1.61 6.14 -1.26 -5.04 117.35 121.27 1wmz s TYR 94 Ca 0.00 1.09 0.01 0.00 0.64 0.00 0.00 57.07 58.81 1wmz s TYR 94 Cb 0.00 -3.98 -0.04 0.00 0.42 0.00 0.00 41.96 38.36 1wmz s TYR 94 CO 0.00 -3.00 -0.06 0.95 0.64 0.00 0.00 175.55 174.09 1wmz s THR 95 N -0.76 0.49 -0.35 4.34 -4.23 -1.26 -4.88 115.64 109.00 1wmz s THR 95 Ca 0.55 -1.67 0.15 0.00 -1.18 0.00 0.00 61.69 59.55 1wmz s THR 95 Cb -0.46 -1.33 0.43 0.00 1.34 0.00 0.00 72.50 72.48 1wmz s THR 95 CO 0.57 -0.79 1.03 1.17 -0.54 0.00 0.00 174.62 176.06 1wmz n LYS 96 N 0.40 1.13 -1.99 3.99 4.81 -1.26 -5.08 118.16 120.17 1wmz n LYS 96 Ca -0.15 -2.88 -0.41 0.00 -0.87 0.00 0.00 58.31 53.99 1wmz n LYS 96 Cb 0.59 -1.00 -0.02 0.00 0.02 0.00 0.00 35.03 34.63 1wmz n LYS 96 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 1wmz s TRP 97 N -2.16 2.94 0.75 5.64 0.52 -1.26 -0.21 118.94 125.15 1wmz s TRP 97 Ca 0.27 1.14 -0.14 0.00 0.02 0.00 0.00 56.10 57.39 1wmz s TRP 97 Cb 0.43 -3.83 0.05 0.00 -1.15 0.00 0.00 33.47 28.97 1wmz s TRP 97 CO -0.01 -2.56 1.15 0.00 0.02 0.00 0.00 176.95 175.56 1wmz s ALA 98 N -0.51 2.14 0.14 0.98 0.00 0.02 -4.64 121.76 119.89 1wmz s ALA 98 Ca 0.56 0.65 -0.34 0.00 0.00 0.00 0.00 51.96 52.82 1wmz s ALA 98 Cb -0.42 -3.39 -0.14 0.00 0.00 0.00 0.00 23.12 19.16 1wmz s ALA 98 CO 0.50 -1.83 1.56 0.41 0.00 0.00 0.00 175.76 176.40 1wmz n GLY 99 N -0.14 1.05 1.68 0.00 0.00 -1.26 -1.49 105.19 105.03 1wmz n GLY 99 Ca 0.12 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.81 1wmz n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wmz n GLY 100 N 3.34 0.78 3.35 -0.02 0.00 -1.26 -5.05 105.19 106.33 1wmz n GLY 100 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 1wmz n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wmz s GLN 101 N -0.39 1.30 0.51 1.61 -1.52 -0.56 -4.20 119.66 116.42 1wmz s GLN 101 Ca 0.00 -1.31 -0.17 0.00 -1.95 0.00 0.00 55.36 51.93 1wmz s GLN 101 Cb 0.00 -1.64 -0.08 0.00 -0.22 0.00 0.00 33.01 31.07 1wmz s GLN 101 CO 0.00 0.38 0.98 -1.25 -0.25 0.00 0.00 175.29 175.15 1wmz s PRO 102 N -2.16 3.96 0.00 2.91 0.04 -1.26 -4.56 135.00 133.93 1wmz s PRO 102 Ca 0.12 0.97 0.00 0.00 0.04 0.00 0.00 61.00 62.13 1wmz s PRO 102 Cb -0.09 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1wmz s PRO 102 CO 0.06 -0.26 0.23 -0.40 0.04 0.00 0.00 177.00 176.67 1wmz n ASP 103 N -1.53 0.41 -4.26 6.66 3.85 -1.26 -5.03 116.55 115.39 1wmz n ASP 103 Ca 0.07 -1.03 -0.32 0.00 -0.71 0.00 0.00 54.79 52.79 1wmz n ASP 103 Cb 0.54 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 40.24 1wmz n ASP 103 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 1wmz n ASN 104 N -0.02 -0.42 -4.68 -1.12 5.15 -1.26 -4.79 115.26 108.13 1wmz n ASN 104 Ca 0.00 -1.17 -0.44 0.00 -0.60 0.00 0.00 54.58 52.37 1wmz n ASN 104 Cb 0.18 -2.10 -0.02 0.00 -0.53 0.00 0.00 39.78 37.30 1wmz n ASN 104 CO 0.00 0.00 0.00 1.87 1.40 0.00 0.00 177.26 180.53 1wmz n TRP 105 N -4.42 2.18 -2.22 1.20 -0.00 -1.26 -0.29 117.44 112.62 1wmz n TRP 105 Ca -0.19 0.48 -0.10 0.00 -0.00 0.00 0.00 57.50 57.69 1wmz n TRP 105 Cb 0.62 -2.44 -0.01 0.00 -0.00 0.00 0.00 31.31 29.48 1wmz n TRP 105 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 1wmz n ASN 106 N 1.62 -3.19 -2.20 5.87 3.02 -1.26 -2.21 115.26 116.91 1wmz n ASN 106 Ca 0.09 0.25 -0.15 0.00 -0.03 0.00 0.00 54.58 54.74 1wmz n ASN 106 Cb 0.33 -2.81 -0.02 0.00 -0.61 0.00 0.00 39.78 36.67 1wmz n ASN 106 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1wmz n ASN 107 N -1.42 -4.45 -0.10 6.41 3.02 0.60 -4.83 115.26 114.50 1wmz n ASN 107 Ca -0.11 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.62 1wmz n ASN 107 Cb 0.54 -3.81 0.01 0.00 -0.61 0.00 0.00 39.78 35.90 1wmz n ASN 107 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wmz n ALA 108 N -1.50 1.41 -3.13 5.41 0.00 -0.94 -5.02 120.51 116.74 1wmz n ALA 108 Ca -0.17 -0.78 -0.39 0.00 0.00 0.00 0.00 53.44 52.09 1wmz n ALA 108 Cb 0.61 -0.12 -0.11 0.00 0.00 0.00 0.00 19.45 19.83 1wmz n ALA 108 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1wmz s GLU 109 N -0.30 2.66 0.00 0.00 2.02 -1.24 -4.02 118.70 117.83 1wmz s GLU 109 Ca 0.02 -1.27 0.00 0.00 0.02 0.00 0.00 54.97 53.74 1wmz s GLU 109 Cb 0.01 -3.67 0.00 0.00 0.10 0.00 0.00 34.13 30.58 1wmz s GLU 109 CO 0.00 -0.79 0.71 -0.25 0.02 0.00 0.00 175.26 174.95 1wmz n ASP 110 N 4.90 1.06 -3.93 -0.19 10.43 -0.80 -4.44 116.55 123.58 1wmz n ASP 110 Ca -0.11 -1.49 -0.27 0.00 2.57 0.00 0.00 54.79 55.49 1wmz n ASP 110 Cb 0.44 0.00 -0.17 0.00 1.84 0.00 0.00 41.12 43.23 1wmz n ASP 110 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1wmz s TYR 111 N -0.49 1.57 0.45 1.24 1.51 -0.84 -1.39 117.35 119.39 1wmz s TYR 111 Ca 0.00 -0.78 -0.20 0.00 -1.01 0.00 0.00 57.07 55.08 1wmz s TYR 111 Cb 0.00 -1.26 -0.10 0.00 -0.11 0.00 0.00 41.96 40.49 1wmz s TYR 111 CO 0.00 -0.51 0.96 0.20 -1.11 0.00 0.00 175.55 175.10 1wmz s GLY 112 N 1.56 2.35 -0.10 0.71 0.00 0.63 -0.48 107.32 111.99 1wmz s GLY 112 Ca 0.03 0.38 -0.30 0.00 0.00 0.00 0.00 44.72 44.83 1wmz s GLY 112 CO -0.07 0.67 0.81 -0.86 0.00 0.00 0.00 173.10 173.64 1wmz s GLN 113 N -3.33 0.87 0.15 2.90 -2.07 -0.66 -1.93 119.66 115.59 1wmz s GLN 113 Ca 0.62 0.24 -0.30 0.00 -1.82 0.00 0.00 55.36 54.10 1wmz s GLN 113 Cb -0.10 0.41 -0.07 0.00 -1.09 0.00 0.00 33.01 32.17 1wmz s GLN 113 CO 0.17 -0.27 0.96 -0.06 -1.32 0.00 0.00 175.29 174.77 1wmz s PHE 114 N -1.10 3.86 0.79 9.60 2.99 0.12 -0.91 117.98 133.33 1wmz s PHE 114 Ca -0.07 1.83 -0.11 0.00 0.00 0.00 0.00 56.93 58.58 1wmz s PHE 114 Cb -0.00 -3.04 0.07 0.00 0.00 0.00 0.00 43.02 40.04 1wmz s PHE 114 CO 0.06 0.27 1.09 1.03 -0.00 0.00 0.00 175.22 177.67 1wmz s ARG 115 N -0.34 2.13 0.00 0.44 0.52 -0.05 -1.51 118.95 120.14 1wmz s ARG 115 Ca 0.45 1.10 0.30 0.00 -0.52 0.00 0.00 55.73 57.07 1wmz s ARG 115 Cb -0.24 -1.89 1.50 0.00 0.52 0.00 0.00 34.95 34.84 1wmz s ARG 115 CO 0.31 -1.71 2.04 -2.39 0.02 0.00 0.00 175.30 173.56 1wmz n HIS 116 N -3.56 0.00 -3.92 -0.53 1.44 -1.02 -3.76 115.22 103.86 1wmz n HIS 116 Ca 0.09 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.56 1wmz n HIS 116 Cb 0.53 -0.25 -0.06 0.00 0.12 0.00 0.00 29.99 30.33 1wmz n HIS 116 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1wmz s THR 117 N -2.53 2.39 -1.54 0.61 -4.23 -1.26 -4.72 115.64 104.36 1wmz s THR 117 Ca 0.30 -1.56 -0.13 0.00 -1.18 0.00 0.00 61.69 59.11 1wmz s THR 117 Cb 0.20 -2.96 0.09 0.00 1.34 0.00 0.00 72.50 71.17 1wmz s THR 117 CO 0.46 0.00 0.93 -0.62 -0.54 0.00 0.00 174.62 174.85 1wmz n GLU 118 N -1.37 -5.18 -1.85 3.99 1.02 -1.26 -1.87 120.64 114.13 1wmz n GLU 118 Ca 0.00 0.57 -0.15 0.00 -0.02 0.00 0.00 57.16 57.56 1wmz n GLU 118 Cb 0.64 -5.41 -0.04 0.00 -0.02 0.00 0.00 31.44 26.61 1wmz n GLU 118 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wmz n GLY 119 N -1.66 0.68 1.09 0.62 0.00 -1.26 -2.77 105.19 101.88 1wmz n GLY 119 Ca 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1wmz n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wmz n GLY 120 N -1.08 0.93 3.56 -0.02 0.00 -0.78 -4.81 105.19 102.99 1wmz n GLY 120 Ca -0.16 -0.53 -0.45 0.00 0.00 0.00 0.00 46.02 44.88 1wmz n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wmz n ALA 121 N -0.75 -0.63 -2.26 4.61 0.00 -1.12 -4.00 120.51 116.37 1wmz n ALA 121 Ca 0.00 0.38 -0.32 0.00 0.00 0.00 0.00 53.44 53.50 1wmz n ALA 121 Cb 0.16 -1.95 -0.05 0.00 0.00 0.00 0.00 19.45 17.61 1wmz n ALA 121 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1wmz s TRP 122 N -1.08 3.41 0.02 0.00 0.51 0.70 -0.87 118.94 121.63 1wmz s TRP 122 Ca 0.60 1.04 0.02 0.00 -2.12 0.00 0.00 56.10 55.63 1wmz s TRP 122 Cb -0.72 -2.40 -0.02 0.00 -0.81 0.00 0.00 33.47 29.52 1wmz s TRP 122 CO 0.59 0.11 -0.06 1.21 -0.51 0.00 0.00 176.95 178.29 1wmz s ASN 123 N -2.55 0.63 -0.06 2.95 2.47 -0.09 -0.80 114.94 117.51 1wmz s ASN 123 Ca 0.51 -0.36 -0.16 0.00 0.42 0.00 0.00 52.86 53.26 1wmz s ASN 123 Cb -0.11 0.01 -0.05 0.00 -1.45 0.00 0.00 41.25 39.66 1wmz s ASN 123 CO 0.22 -0.12 0.43 1.51 -3.72 0.00 0.00 177.10 175.42 1wmz s ASP 124 N -1.01 6.74 0.34 -4.21 -4.77 -1.26 -1.65 116.67 110.85 1wmz s ASP 124 Ca -0.06 0.87 0.04 0.00 -3.30 0.00 0.00 52.55 50.10 1wmz s ASP 124 Cb -0.07 -2.26 -0.03 0.00 -1.09 0.00 0.00 42.92 39.47 1wmz s ASP 124 CO 0.00 0.17 0.17 0.21 0.70 0.00 0.00 175.17 176.42 1wmz s ASN 125 N -0.24 1.98 0.67 2.11 3.84 0.37 -4.86 114.94 118.80 1wmz s ASN 125 Ca 0.24 -1.62 -0.01 0.00 0.21 0.00 0.00 52.86 51.68 1wmz s ASN 125 Cb -0.16 0.44 0.09 0.00 -0.55 0.00 0.00 41.25 41.07 1wmz s ASN 125 CO 0.11 -0.92 0.93 -0.94 -2.79 0.00 0.00 177.10 173.49 1wmz s SER 126 N -3.45 4.68 0.45 -4.21 1.04 -1.26 -1.90 113.70 109.06 1wmz s SER 126 Ca 0.33 -0.17 0.30 0.00 0.48 0.00 0.00 55.95 56.88 1wmz s SER 126 Cb 0.04 -0.39 1.13 0.00 0.10 0.00 0.00 66.02 66.90 1wmz s SER 126 CO 0.18 -1.61 1.87 0.00 0.98 0.00 0.00 173.24 174.66 1wmz h ALA 127 N -0.35 1.00 0.00 5.32 0.00 -1.99 -2.91 119.26 120.33 1wmz h ALA 127 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1wmz h ALA 127 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1wmz h ALA 127 CO 0.46 0.00 -0.83 0.00 0.00 0.00 0.00 179.25 178.88 1wmz h ALA 128 N 2.09 0.55 -2.32 0.00 0.00 -1.94 -3.43 119.26 114.21 1wmz h ALA 128 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 1wmz h ALA 128 Cb 0.55 0.00 0.13 0.00 0.00 0.00 0.00 17.79 18.47 1wmz h ALA 128 CO 0.00 0.00 0.32 0.00 0.00 0.00 0.00 179.25 179.57 1wmz s ALA 129 N -3.29 2.27 0.08 0.00 0.00 -1.10 -4.98 121.76 114.75 1wmz s ALA 129 Ca 0.02 0.26 0.10 0.00 0.00 0.00 0.00 51.96 52.34 1wmz s ALA 129 Cb 0.10 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 1wmz s ALA 129 CO 0.76 -1.74 -0.25 -0.65 0.00 0.00 0.00 175.76 173.87 1wmz s GLN 130 N -4.90 1.55 0.25 0.00 -0.21 -1.26 -4.25 119.66 110.85 1wmz s GLN 130 Ca 0.61 -1.18 -0.19 0.00 0.02 0.00 0.00 55.36 54.62 1wmz s GLN 130 Cb -0.17 -1.85 0.02 0.00 1.00 0.00 0.00 33.01 32.02 1wmz s GLN 130 CO 0.56 0.46 0.64 0.00 -2.12 0.00 0.00 175.29 174.83 1wmz s ALA 131 N -0.92 -1.06 1.08 6.09 0.00 -0.72 -4.81 121.76 121.43 1wmz s ALA 131 Ca 0.12 -0.31 -0.17 0.00 0.00 0.00 0.00 51.96 51.59 1wmz s ALA 131 Cb -0.10 0.89 0.24 0.00 0.00 0.00 0.00 23.12 24.15 1wmz s ALA 131 CO 0.04 -0.95 1.19 0.15 0.00 0.00 0.00 175.76 176.19 1wmz s LYS 132 N -3.91 -0.29 0.16 0.00 -0.14 -0.81 -1.72 119.74 113.03 1wmz s LYS 132 Ca 0.12 -0.16 -0.10 0.00 -1.36 0.00 0.00 55.97 54.46 1wmz s LYS 132 Cb -0.04 -1.71 -0.00 0.00 -1.68 0.00 0.00 37.83 34.39 1wmz s LYS 132 CO 0.04 -3.08 0.32 1.52 -0.76 0.00 0.00 175.35 173.39 1wmz s TYR 133 N -3.37 0.30 -0.03 3.18 1.13 -1.08 -0.75 117.35 116.73 1wmz s TYR 133 Ca 0.71 -0.66 -0.01 0.00 -1.41 0.00 0.00 57.07 55.71 1wmz s TYR 133 Cb -0.08 0.01 0.03 0.00 -1.10 0.00 0.00 41.96 40.83 1wmz s TYR 133 CO 0.55 -0.74 0.05 1.41 -2.51 0.00 0.00 175.55 174.31 1wmz s MET 134 N -3.94 -0.02 0.21 -3.49 1.75 -1.25 -1.03 119.30 111.52 1wmz s MET 134 Ca 0.15 0.24 0.06 0.00 -1.25 0.00 0.00 55.69 54.89 1wmz s MET 134 Cb 0.03 -0.26 -0.04 0.00 2.84 0.00 0.00 34.83 37.40 1wmz s MET 134 CO -0.01 -0.18 0.16 0.00 -0.65 0.00 0.00 175.02 174.34 1wmz s LYS 136 N -3.48 0.11 -0.11 0.00 2.20 0.13 -1.23 119.74 117.36 1wmz s LYS 136 Ca 0.32 0.05 -0.12 0.00 -0.36 0.00 0.00 55.97 55.85 1wmz s LYS 136 Cb -0.09 -0.22 -0.05 0.00 -1.51 0.00 0.00 37.83 35.96 1wmz s LYS 136 CO 0.24 -0.06 0.28 -0.51 -0.36 0.00 0.00 175.35 174.93 1wmz s LEU 137 N 0.51 4.35 -0.12 5.43 1.43 0.43 -1.99 118.68 128.71 1wmz s LEU 137 Ca -0.04 0.61 0.02 0.00 -1.03 0.00 0.00 54.13 53.69 1wmz s LEU 137 Cb -0.07 -2.34 0.01 0.00 0.03 0.00 0.00 46.19 43.83 1wmz s LEU 137 CO -0.01 0.25 -0.18 -0.89 0.23 0.00 0.00 176.35 175.75 1wmz s THR 138 N -0.38 1.74 -0.87 5.49 2.01 0.35 -3.54 115.64 120.43 1wmz s THR 138 Ca 0.18 -0.79 -0.20 0.00 0.31 0.00 0.00 61.69 61.18 1wmz s THR 138 Cb -0.14 -1.56 0.11 0.00 0.01 0.00 0.00 72.50 70.93 1wmz s THR 138 CO 0.06 0.49 1.10 -0.36 -0.69 0.00 0.00 174.62 175.22 1wmz s PHE 139 N 0.85 2.99 -2.05 4.92 0.40 -1.26 -1.14 117.98 122.69 1wmz s PHE 139 Ca -0.08 -1.18 0.32 0.00 -0.60 0.00 0.00 56.93 55.39 1wmz s PHE 139 Cb -0.15 -4.30 1.82 0.00 0.51 0.00 0.00 43.02 40.89 1wmz s PHE 139 CO -0.01 -1.54 2.18 0.39 0.70 0.00 0.00 175.22 176.94