#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mwz s LEU 3 N 0.00 1.26 -0.27 4.31 0.20 -1.26 -5.09 118.68 117.84 3mwz s LEU 3 Ca 0.00 -0.42 -0.02 0.00 0.69 0.00 0.00 54.13 54.38 3mwz s LEU 3 Cb 0.00 -0.81 0.03 0.00 -0.43 0.00 0.00 46.19 44.98 3mwz s LEU 3 CO 0.00 -0.16 -0.03 0.00 -0.29 0.00 0.00 176.35 175.87 3mwz s ALA 4 N 1.72 2.76 -0.23 5.97 0.00 -1.26 -4.99 121.76 125.73 3mwz s ALA 4 Ca 0.03 -1.56 -0.19 0.00 0.00 0.00 0.00 51.96 50.24 3mwz s ALA 4 Cb -0.14 -1.80 0.06 0.00 0.00 0.00 0.00 23.12 21.25 3mwz s ALA 4 CO -0.08 -0.97 0.60 -1.17 0.00 0.00 0.00 175.76 174.14 3mwz s LEU 5 N 1.31 -0.40 -0.27 0.00 2.96 -1.26 -5.13 118.68 115.89 3mwz s LEU 5 Ca -0.02 1.24 -0.22 0.00 -0.22 0.00 0.00 54.13 54.92 3mwz s LEU 5 Cb -0.18 2.06 -0.01 0.00 0.50 0.00 0.00 46.19 48.56 3mwz s LEU 5 CO -0.03 -0.21 0.70 -0.13 -1.32 0.00 0.00 176.35 175.36 3mwz s ARG 6 N 0.66 4.06 0.88 1.98 0.52 -1.26 -4.89 118.95 120.91 3mwz s ARG 6 Ca -0.03 0.59 0.00 0.00 -0.52 0.00 0.00 55.73 55.78 3mwz s ARG 6 Cb -0.05 -3.68 0.00 0.00 0.52 0.00 0.00 34.95 31.75 3mwz s ARG 6 CO -0.04 -0.51 0.00 0.41 0.02 0.00 0.00 175.30 175.18 3mwz n GLY 7 N 4.13 -2.01 1.81 -3.53 0.00 -1.26 -4.99 105.19 99.33 3mwz n GLY 7 Ca 0.01 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.64 3mwz n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mwz n GLY 8 N -0.34 0.74 3.77 -0.02 0.00 -1.26 -5.04 105.19 103.04 3mwz n GLY 8 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3mwz n GLY 8 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mwz s TYR 9 N -2.68 3.48 -0.10 1.61 2.02 -1.26 -4.59 117.35 115.82 3mwz s TYR 9 Ca 0.00 1.69 0.04 0.00 -0.37 0.00 0.00 57.07 58.43 3mwz s TYR 9 Cb 0.00 -3.21 -0.00 0.00 -0.40 0.00 0.00 41.96 38.35 3mwz s TYR 9 CO 0.00 -0.54 -0.23 1.03 -1.57 0.00 0.00 175.55 174.24 3mwz s ARG 10 N -1.83 3.08 0.26 -0.62 0.52 -0.03 -4.90 118.95 115.41 3mwz s ARG 10 Ca 0.49 -0.86 -0.30 0.00 -0.52 0.00 0.00 55.73 54.55 3mwz s ARG 10 Cb -0.28 -2.34 -0.09 0.00 0.52 0.00 0.00 34.95 32.76 3mwz s ARG 10 CO 0.36 0.17 1.29 -2.00 0.02 0.00 0.00 175.30 175.14 3mwz s GLU 11 N 0.37 4.40 0.21 3.54 2.12 -1.26 -0.75 118.70 127.33 3mwz s GLU 11 Ca -0.18 2.09 0.11 0.00 0.36 0.00 0.00 54.97 57.36 3mwz s GLU 11 Cb -0.18 -3.15 -0.05 0.00 0.26 0.00 0.00 34.13 31.02 3mwz s GLU 11 CO 0.08 -0.18 -0.23 1.03 -0.54 0.00 0.00 175.26 175.41 3mwz s ARG 12 N -0.86 1.54 0.07 4.30 1.81 0.25 -4.92 118.95 121.15 3mwz s ARG 12 Ca 0.53 -1.56 -0.27 0.00 -1.72 0.00 0.00 55.73 52.71 3mwz s ARG 12 Cb -0.37 -1.82 -0.06 0.00 -0.45 0.00 0.00 34.95 32.25 3mwz s ARG 12 CO 0.44 0.39 0.83 0.45 -0.68 0.00 0.00 175.30 176.73 3mwz s SER 13 N -2.80 7.32 0.00 0.23 0.15 -1.26 -4.05 113.70 113.28 3mwz s SER 13 Ca 0.22 1.57 0.11 0.00 0.70 0.00 0.00 55.95 58.56 3mwz s SER 13 Cb -0.07 -2.51 0.55 0.00 -1.71 0.00 0.00 66.02 62.28 3mwz s SER 13 CO 0.11 -0.01 1.28 -0.46 1.20 0.00 0.00 173.24 175.36 3mwz n ASN 14 N 2.77 0.00 0.02 5.45 6.94 -1.26 -1.73 115.26 127.45 3mwz n ASN 14 Ca -0.01 0.20 0.12 0.00 -0.02 0.00 0.00 54.58 54.87 3mwz n ASN 14 Cb 0.50 -0.33 0.17 0.00 -2.36 0.00 0.00 39.78 37.76 3mwz n ASN 14 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3mwz n GLN 15 N -1.33 0.14 0.03 -3.83 1.13 -1.26 -4.47 117.38 107.79 3mwz n GLN 15 Ca 0.05 0.02 0.12 0.00 -1.94 0.00 0.00 57.00 55.25 3mwz n GLN 15 Cb 0.10 -1.57 0.11 0.00 0.11 0.00 0.00 30.24 28.99 3mwz n GLN 15 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3mwz n ASP 16 N -1.76 0.63 -3.65 1.08 8.00 -0.71 -4.86 116.55 115.28 3mwz n ASP 16 Ca 0.04 -0.15 -0.04 0.00 0.71 0.00 0.00 54.79 55.35 3mwz n ASP 16 Cb 0.38 0.48 -0.06 0.00 -0.02 0.00 0.00 41.12 41.91 3mwz n ASP 16 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3mwz s ASP 17 N -3.77 -0.98 0.23 -2.24 -1.08 -1.26 -5.02 116.67 102.55 3mwz s ASP 17 Ca 0.06 1.48 0.20 0.00 -0.52 0.00 0.00 52.55 53.78 3mwz s ASP 17 Cb 0.15 1.78 0.93 0.00 -1.46 0.00 0.00 42.92 44.32 3mwz s ASP 17 CO 0.76 -0.23 1.62 -0.81 0.52 0.00 0.00 175.17 177.03 3mwz n PRO 18 N 4.91 0.15 0.21 4.34 -0.04 -1.26 -2.97 135.00 140.33 3mwz n PRO 18 Ca -0.16 0.46 0.06 0.00 -0.04 0.00 0.00 63.50 63.83 3mwz n PRO 18 Cb 0.54 -1.83 0.46 0.00 -0.04 0.00 0.00 33.50 32.62 3mwz n PRO 18 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 3mwz h GLU 19 N 0.00 0.00 -0.67 0.54 4.81 -1.97 -2.56 114.58 114.73 3mwz h GLU 19 Ca 0.00 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3mwz h GLU 19 Cb 0.23 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 3mwz h GLU 19 CO 0.00 0.30 0.44 1.88 -0.73 0.00 0.00 179.01 180.90 3mwz h TYR 20 N 0.00 0.83 -0.48 0.92 0.05 -1.92 -2.60 116.97 113.77 3mwz h TYR 20 Ca -0.00 0.02 -0.11 0.00 0.05 0.00 0.00 58.73 58.69 3mwz h TYR 20 Cb 0.61 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 38.05 3mwz h TYR 20 CO 0.00 0.52 -0.11 1.25 -1.05 0.00 0.00 178.16 178.77 3mwz h LEU 21 N 0.90 0.93 -0.98 3.88 5.85 -1.72 -0.83 115.31 123.34 3mwz h LEU 21 Ca 0.25 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.61 3mwz h LEU 21 Cb -0.10 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.68 3mwz h LEU 21 CO -0.06 1.07 0.00 -0.62 -0.34 0.00 0.00 178.44 178.50 3mwz n GLU 22 N -4.23 0.00 0.00 1.25 1.02 -0.98 -1.63 120.64 116.08 3mwz n GLU 22 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3mwz n GLU 22 Cb 0.39 -0.94 0.00 0.00 -0.02 0.00 0.00 31.44 30.87 3mwz n GLU 22 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mwz n ALA 24 N 0.42 0.00 -0.17 0.62 0.00 -0.32 -1.37 120.51 119.69 3mwz n ALA 24 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3mwz n ALA 24 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3mwz n ALA 24 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3mwz h HIS 25 N 0.00 1.01 -0.28 0.00 -0.00 -1.58 -0.98 115.15 113.32 3mwz h HIS 25 Ca 0.00 -0.20 0.04 0.00 -0.00 0.00 0.00 60.37 60.22 3mwz h HIS 25 Cb 0.00 -0.26 -0.04 0.00 -0.00 0.00 0.00 27.41 27.11 3mwz h HIS 25 CO 0.00 0.96 0.02 -0.92 -0.00 0.00 0.00 177.93 178.00 3mwz h TYR 26 N 0.77 0.03 -0.32 2.45 3.20 -1.49 -0.96 116.97 120.66 3mwz h TYR 26 Ca 0.13 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.94 3mwz h TYR 26 Cb 0.59 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 3mwz h TYR 26 CO 0.04 -0.02 -0.12 0.00 -1.64 0.00 0.00 178.16 176.43 3mwz h ALA 27 N 1.23 0.44 -0.22 1.82 0.00 -1.79 -1.90 119.26 118.83 3mwz h ALA 27 Ca 0.13 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3mwz h ALA 27 Cb 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3mwz h ALA 27 CO -0.20 0.31 -0.06 1.15 0.00 0.00 0.00 179.25 180.45 3mwz h THR 28 N 0.40 1.29 -0.53 0.00 2.02 -1.09 -0.43 112.91 114.58 3mwz h THR 28 Ca 0.08 -1.05 -0.11 0.00 0.77 0.00 0.00 66.41 66.09 3mwz h THR 28 Cb 0.63 1.52 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 3mwz h THR 28 CO 0.04 0.32 -0.12 0.77 0.37 0.00 0.00 175.52 176.91 3mwz h SER 29 N 0.16 1.02 -0.14 4.18 4.64 -1.21 -1.57 113.55 120.62 3mwz h SER 29 Ca 0.06 -0.36 -0.02 0.00 -0.47 0.00 0.00 61.79 61.00 3mwz h SER 29 Cb 0.51 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 3mwz h SER 29 CO 0.02 1.14 0.00 0.74 -0.87 0.00 0.00 176.83 177.86 3mwz h THR 30 N 0.88 1.25 -0.10 2.95 2.02 -1.26 -2.55 112.91 116.10 3mwz h THR 30 Ca 0.14 -0.82 -0.00 0.00 0.77 0.00 0.00 66.41 66.49 3mwz h THR 30 Cb 0.68 1.51 -0.00 0.00 -1.74 0.00 0.00 68.15 68.60 3mwz h THR 30 CO 0.05 0.24 0.06 -0.25 0.37 0.00 0.00 175.52 175.99 3mwz h TRP 31 N -0.00 0.13 -0.15 3.16 7.01 -1.09 -3.11 115.95 121.90 3mwz h TRP 31 Ca 0.04 0.00 -0.06 0.00 2.11 0.00 0.00 58.89 60.98 3mwz h TRP 31 Cb 0.37 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.37 3mwz h TRP 31 CO 0.03 0.12 -0.17 0.66 -2.79 0.00 0.00 178.44 176.29 3mwz h SER 32 N 0.11 0.24 0.14 2.65 4.64 -1.26 -0.87 113.55 119.19 3mwz h SER 32 Ca 0.04 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 3mwz h SER 32 Cb 0.03 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3mwz h SER 32 CO -0.01 0.43 -0.05 0.00 -0.87 0.00 0.00 176.83 176.34 3mwz h ALA 33 N 1.60 1.41 -0.01 5.18 0.00 -1.38 -2.39 119.26 123.67 3mwz h ALA 33 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3mwz h ALA 33 Cb 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3mwz h ALA 33 CO 0.03 0.06 -0.33 1.04 0.00 0.00 0.00 179.25 180.05 3mwz n GLN 34 N -3.74 0.62 -3.01 0.00 6.02 -0.34 -4.95 117.38 111.99 3mwz n GLN 34 Ca -0.03 -0.37 -0.40 0.00 -0.01 0.00 0.00 57.00 56.20 3mwz n GLN 34 Cb 0.14 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 29.85 3mwz n GLN 34 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3mwz s GLN 35 N -2.63 4.49 0.39 -1.09 -1.52 -0.90 -5.04 119.66 113.35 3mwz s GLN 35 Ca 0.21 1.05 -0.26 0.00 -1.95 0.00 0.00 55.36 54.41 3mwz s GLN 35 Cb 0.19 -3.33 -0.09 0.00 -0.22 0.00 0.00 33.01 29.55 3mwz s GLN 35 CO 0.57 0.37 1.28 -2.14 -0.25 0.00 0.00 175.29 175.11 3mwz s PRO 36 N -0.35 4.05 0.00 2.91 0.02 -1.26 -3.23 135.00 137.14 3mwz s PRO 36 Ca 0.37 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.50 3mwz s PRO 36 Cb -0.21 -2.80 0.00 0.00 0.02 0.00 0.00 34.50 31.51 3mwz s PRO 36 CO 0.23 -0.41 0.00 0.41 -0.33 0.00 0.00 177.00 176.90 3mwz n GLY 37 N 0.69 2.17 3.74 0.52 0.00 -1.26 -4.99 105.19 106.06 3mwz n GLY 37 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3mwz n GLY 37 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3mwz s LYS 38 N -0.02 4.55 -0.07 1.61 2.47 -1.20 -4.95 119.74 122.13 3mwz s LYS 38 Ca 0.00 1.81 0.08 0.00 -1.56 0.00 0.00 55.97 56.29 3mwz s LYS 38 Cb 0.00 -3.24 -0.11 0.00 -1.46 0.00 0.00 37.83 33.02 3mwz s LYS 38 CO 0.00 0.02 0.06 0.25 0.16 0.00 0.00 175.35 175.84 3mwz n THR 39 N 2.20 0.47 -4.34 3.43 -2.24 -1.26 -4.96 114.28 107.58 3mwz n THR 39 Ca 0.03 -0.32 -0.23 0.00 -2.27 0.00 0.00 64.05 61.25 3mwz n THR 39 Cb 0.45 -0.60 -0.12 0.00 -2.10 0.00 0.00 70.33 67.97 3mwz n THR 39 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3mwz s HIS 40 N -2.27 1.89 0.43 4.78 3.76 -1.26 -1.35 115.29 121.27 3mwz s HIS 40 Ca -0.04 -0.44 -0.25 0.00 -0.15 0.00 0.00 55.06 54.18 3mwz s HIS 40 Cb 0.03 -0.96 -0.08 0.00 1.11 0.00 0.00 32.58 32.68 3mwz s HIS 40 CO 0.34 0.33 1.33 -0.06 -0.85 0.00 0.00 174.74 175.83 3mwz s PHE 41 N -1.80 2.67 0.52 1.40 0.08 -0.15 -4.76 117.98 115.94 3mwz s PHE 41 Ca 0.14 1.37 -0.13 0.00 0.12 0.00 0.00 56.93 58.44 3mwz s PHE 41 Cb -0.07 -3.73 -0.06 0.00 -0.57 0.00 0.00 43.02 38.59 3mwz s PHE 41 CO 0.07 -2.36 0.94 -0.51 -0.10 0.00 0.00 175.22 173.25 3mwz s ASP 42 N -0.74 6.47 0.22 1.36 1.01 -1.26 -0.22 116.67 123.51 3mwz s ASP 42 Ca 0.60 1.39 0.01 0.00 0.71 0.00 0.00 52.55 55.26 3mwz s ASP 42 Cb -0.39 -2.44 -0.05 0.00 1.01 0.00 0.00 42.92 41.05 3mwz s ASP 42 CO 0.50 -0.63 0.08 0.28 0.21 0.00 0.00 175.17 175.61 3mwz s THR 43 N -2.74 0.47 -0.33 -1.27 -1.32 0.17 -4.21 115.64 106.41 3mwz s THR 43 Ca 0.55 -1.99 -0.18 0.00 -1.21 0.00 0.00 61.69 58.86 3mwz s THR 43 Cb -0.10 -2.47 -0.01 0.00 -1.51 0.00 0.00 72.50 68.40 3mwz s THR 43 CO 0.39 -0.13 0.52 -0.69 -2.21 0.00 0.00 174.62 172.50 3mwz s VAL 44 N -3.82 5.02 -0.08 5.08 1.01 -1.26 -2.25 120.40 124.10 3mwz s VAL 44 Ca 0.34 0.48 -0.25 0.00 0.00 0.00 0.00 61.98 62.56 3mwz s VAL 44 Cb 0.07 -3.94 -0.27 0.00 0.00 0.00 0.00 36.38 32.24 3mwz s VAL 44 CO 0.11 -0.15 0.89 0.58 0.00 0.00 0.00 175.10 176.53 3mwz h VAL 45 N 5.57 1.62 -2.46 2.92 2.07 -1.09 -3.48 116.25 121.40 3mwz h VAL 45 Ca -0.28 -2.32 -0.09 0.00 0.82 0.00 0.00 66.70 64.83 3mwz h VAL 45 Cb 1.13 3.15 -0.23 0.00 -1.52 0.00 0.00 31.29 33.82 3mwz h VAL 45 CO 0.76 0.63 -0.09 -0.70 0.02 0.00 0.00 177.57 178.19 3mwz s GLU 46 N -2.55 0.63 0.56 1.57 2.12 -1.10 -4.98 118.70 114.95 3mwz s GLU 46 Ca -0.16 0.71 -0.08 0.00 0.36 0.00 0.00 54.97 55.80 3mwz s GLU 46 Cb -0.00 0.31 -0.03 0.00 0.26 0.00 0.00 34.13 34.66 3mwz s GLU 46 CO 0.76 -0.08 0.91 0.08 -0.54 0.00 0.00 175.26 176.39 3mwz s VAL 47 N 0.22 4.66 0.49 3.70 1.01 -1.26 -0.77 120.40 128.44 3mwz s VAL 47 Ca -0.01 0.49 -0.23 0.00 0.00 0.00 0.00 61.98 62.23 3mwz s VAL 47 Cb -0.04 -3.82 -0.07 0.00 0.00 0.00 0.00 36.38 32.45 3mwz s VAL 47 CO 0.01 -0.94 1.28 1.17 0.00 0.00 0.00 175.10 176.62 3mwz n LYS 49 N -2.53 1.75 -4.60 2.72 4.81 -0.92 -4.92 118.16 114.47 3mwz n LYS 49 Ca 0.03 0.63 -0.26 0.00 -0.87 0.00 0.00 58.31 57.85 3mwz n LYS 49 Cb 0.55 -2.45 -0.17 0.00 0.02 0.00 0.00 35.03 32.98 3mwz n LYS 49 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3mwz s VAL 50 N -1.27 1.25 0.01 3.15 1.01 -1.26 -1.06 120.40 122.23 3mwz s VAL 50 Ca 0.67 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 62.12 3mwz s VAL 50 Cb -0.46 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 3mwz s VAL 50 CO 0.53 0.38 -0.05 -1.61 0.00 0.00 0.00 175.10 174.36 3mwz s GLU 51 N 0.72 0.40 0.10 2.72 2.02 -0.40 -0.58 118.70 123.67 3mwz s GLU 51 Ca -0.13 -0.31 0.04 0.00 0.02 0.00 0.00 54.97 54.59 3mwz s GLU 51 Cb -0.16 -0.32 -0.03 0.00 0.10 0.00 0.00 34.13 33.72 3mwz s GLU 51 CO 0.03 0.08 -0.11 0.95 0.02 0.00 0.00 175.26 176.23 3mwz s THR 52 N -0.44 1.00 -0.03 3.63 -4.23 0.08 -0.26 115.64 115.39 3mwz s THR 52 Ca -0.02 -1.60 0.01 0.00 -1.18 0.00 0.00 61.69 58.90 3mwz s THR 52 Cb -0.04 -1.33 0.02 0.00 1.34 0.00 0.00 72.50 72.49 3mwz s THR 52 CO -0.00 -0.50 -0.02 -1.58 -0.54 0.00 0.00 174.62 171.98 3mwz s GLN 53 N -2.63 0.49 -0.03 3.99 0.74 -0.79 -0.85 119.66 120.57 3mwz s GLN 53 Ca 0.05 -0.03 0.01 0.00 0.05 0.00 0.00 55.36 55.44 3mwz s GLN 53 Cb -0.04 -0.57 0.02 0.00 1.10 0.00 0.00 33.01 33.51 3mwz s GLN 53 CO 0.01 -0.07 -0.05 0.99 -0.55 0.00 0.00 175.29 175.62 3mwz s THR 54 N 0.77 0.51 0.00 -0.34 2.01 -1.26 -0.82 115.64 116.51 3mwz s THR 54 Ca -0.09 -0.16 0.00 0.00 0.31 0.00 0.00 61.69 61.76 3mwz s THR 54 Cb -0.12 -0.51 0.00 0.00 0.01 0.00 0.00 72.50 71.88 3mwz s THR 54 CO -0.01 0.20 0.00 0.52 -0.69 0.00 0.00 174.62 174.64 3mwz n VAL 55 N 3.74 0.00 -0.11 3.82 0.31 -1.26 -5.00 118.33 119.83 3mwz n VAL 55 Ca -0.23 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 63.92 3mwz n VAL 55 Cb 0.52 -0.12 -0.06 0.00 -0.91 0.00 0.00 33.84 33.27 3mwz n VAL 55 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3mwz n ALA 56 N -2.73 0.99 -1.81 3.52 0.00 -1.26 -4.99 120.51 114.23 3mwz n ALA 56 Ca 0.00 -0.90 -0.17 0.00 0.00 0.00 0.00 53.44 52.37 3mwz n ALA 56 Cb 0.00 0.04 0.15 0.00 0.00 0.00 0.00 19.45 19.65 3mwz n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mwz n GLY 57 N 1.38 -1.21 2.92 0.00 0.00 -1.26 -4.95 105.19 102.07 3mwz n GLY 57 Ca -0.32 -1.73 -0.17 0.00 0.00 0.00 0.00 46.02 43.79 3mwz n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mwz s THR 58 N -3.19 0.40 -0.12 2.61 2.01 0.20 -4.40 115.64 113.14 3mwz s THR 58 Ca 0.59 -0.15 -0.18 0.00 0.31 0.00 0.00 61.69 62.26 3mwz s THR 58 Cb -0.02 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 72.07 3mwz s THR 58 CO 0.41 0.15 0.48 0.20 -0.69 0.00 0.00 174.62 175.16 3mwz s ASN 59 N 0.30 6.68 -0.35 3.53 0.01 -0.00 -0.82 114.94 124.29 3mwz s ASN 59 Ca -0.03 0.81 -0.08 0.00 -0.71 0.00 0.00 52.86 52.85 3mwz s ASN 59 Cb -0.07 -2.29 0.03 0.00 0.41 0.00 0.00 41.25 39.34 3mwz s ASN 59 CO -0.00 -0.01 0.13 -0.31 -1.51 0.00 0.00 177.10 175.40 3mwz s TYR 60 N 0.68 3.24 -0.39 2.20 2.02 0.37 -1.89 117.35 123.58 3mwz s TYR 60 Ca 0.26 -1.24 -0.15 0.00 -0.37 0.00 0.00 57.07 55.56 3mwz s TYR 60 Cb -0.15 -2.32 0.01 0.00 -0.40 0.00 0.00 41.96 39.10 3mwz s TYR 60 CO 0.10 -0.69 0.32 0.50 -1.57 0.00 0.00 175.55 174.21 3mwz s ARG 61 N 1.46 3.13 -0.16 -0.62 3.52 0.65 -0.97 118.95 125.96 3mwz s ARG 61 Ca -0.00 -0.86 -0.02 0.00 -0.13 0.00 0.00 55.73 54.72 3mwz s ARG 61 Cb -0.19 -3.93 -0.01 0.00 -1.56 0.00 0.00 34.95 29.25 3mwz s ARG 61 CO 0.04 -0.70 -0.10 -0.51 -0.81 0.00 0.00 175.30 173.23 3mwz s LEU 62 N 1.79 2.83 -0.31 -0.88 1.43 0.15 -1.28 118.68 122.41 3mwz s LEU 62 Ca 0.07 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 52.74 3mwz s LEU 62 Cb -0.18 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 3mwz s LEU 62 CO 0.11 0.12 0.19 -0.89 0.23 0.00 0.00 176.35 176.10 3mwz s THR 63 N 0.63 4.94 0.09 5.49 2.01 -0.22 -1.25 115.64 127.32 3mwz s THR 63 Ca -0.06 -0.24 0.10 0.00 0.31 0.00 0.00 61.69 61.81 3mwz s THR 63 Cb -0.15 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 3mwz s THR 63 CO 0.03 0.09 -0.27 -0.76 -0.69 0.00 0.00 174.62 173.01 3mwz s LEU 64 N 1.68 2.25 -0.20 4.42 1.43 0.70 -2.16 118.68 126.80 3mwz s LEU 64 Ca 0.06 -0.68 -0.13 0.00 -1.03 0.00 0.00 54.13 52.35 3mwz s LEU 64 Cb -0.17 -1.25 -0.05 0.00 0.03 0.00 0.00 46.19 44.75 3mwz s LEU 64 CO 0.08 0.22 0.25 -0.75 0.23 0.00 0.00 176.35 176.38 3mwz s LYS 65 N -1.68 4.18 0.06 1.70 2.47 0.05 -0.68 119.74 125.83 3mwz s LYS 65 Ca 0.13 -0.03 0.07 0.00 -1.56 0.00 0.00 55.97 54.57 3mwz s LYS 65 Cb -0.10 -3.48 -0.03 0.00 -1.46 0.00 0.00 37.83 32.76 3mwz s LYS 65 CO 0.04 0.14 -0.18 0.08 0.16 0.00 0.00 175.35 175.59 3mwz s VAL 66 N 0.80 1.45 0.13 4.02 1.01 -0.03 -0.42 120.40 127.37 3mwz s VAL 66 Ca 0.13 -1.23 -0.12 0.00 0.00 0.00 0.00 61.98 60.77 3mwz s VAL 66 Cb -0.13 -1.30 0.01 0.00 0.00 0.00 0.00 36.38 34.96 3mwz s VAL 66 CO 0.04 0.04 0.32 0.00 0.00 0.00 0.00 175.10 175.50 3mwz s ALA 67 N -0.95 -0.45 0.20 5.51 0.00 -0.95 -1.26 121.76 123.85 3mwz s ALA 67 Ca 0.04 -0.48 -0.32 0.00 0.00 0.00 0.00 51.96 51.21 3mwz s ALA 67 Cb -0.09 0.69 -0.11 0.00 0.00 0.00 0.00 23.12 23.61 3mwz s ALA 67 CO 0.02 -0.62 1.64 -2.00 0.00 0.00 0.00 175.76 174.80 3mwz s GLU 68 N -3.88 4.17 0.81 0.00 2.12 -1.26 -0.66 118.70 120.00 3mwz s GLU 68 Ca 0.08 2.49 -0.10 0.00 0.36 0.00 0.00 54.97 57.80 3mwz s GLU 68 Cb 0.03 -3.10 0.11 0.00 0.26 0.00 0.00 34.13 31.43 3mwz s GLU 68 CO -0.07 -0.67 1.15 -1.54 -0.54 0.00 0.00 175.26 173.58 3mwz s SER 69 N 1.09 4.19 0.00 -1.70 1.04 0.69 -4.39 113.70 114.62 3mwz s SER 69 Ca 0.72 0.43 0.14 0.00 0.48 0.00 0.00 55.95 57.72 3mwz s SER 69 Cb -0.47 -0.83 0.42 0.00 0.10 0.00 0.00 66.02 65.24 3mwz s SER 69 CO 0.33 -2.04 1.34 0.35 0.98 0.00 0.00 173.24 174.20 3mwz n THR 70 N -3.28 0.57 -3.97 2.02 -2.24 -1.23 -4.73 114.28 101.43 3mwz n THR 70 Ca 0.11 -0.58 -0.35 0.00 -2.27 0.00 0.00 64.05 60.95 3mwz n THR 70 Cb 0.60 0.32 -0.12 0.00 -2.10 0.00 0.00 70.33 69.03 3mwz n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mwz s GLU 72 N 1.04 3.35 0.50 0.00 2.02 -1.26 -0.98 118.70 123.37 3mwz s GLU 72 Ca 0.03 1.58 0.33 0.00 0.02 0.00 0.00 54.97 56.93 3mwz s GLU 72 Cb -0.14 -2.01 1.66 0.00 0.10 0.00 0.00 34.13 33.74 3mwz s GLU 72 CO 0.02 -0.85 2.01 -0.07 0.02 0.00 0.00 175.26 176.40 3mwz h LEU 73 N 1.14 0.00 0.00 1.80 3.38 -1.51 -0.99 115.31 119.13 3mwz h LEU 73 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 3mwz h LEU 73 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3mwz h LEU 73 CO 0.57 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.45 3mwz n THR 74 N -2.76 0.01 -3.12 0.22 -2.24 -1.26 -4.83 114.28 100.29 3mwz n THR 74 Ca -0.01 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 3mwz n THR 74 Cb 0.14 -0.50 0.01 0.00 -2.10 0.00 0.00 70.33 67.88 3mwz n THR 74 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3mwz s SER 75 N -2.95 5.73 -0.14 3.42 1.04 -0.38 -5.09 113.70 115.33 3mwz s SER 75 Ca 0.15 -0.34 -0.26 0.00 0.48 0.00 0.00 55.95 55.98 3mwz s SER 75 Cb 0.19 -0.82 -0.02 0.00 0.10 0.00 0.00 66.02 65.47 3mwz s SER 75 CO 0.52 -0.69 0.87 -0.89 0.98 0.00 0.00 173.24 174.03 3mwz s THR 76 N -2.32 4.87 0.16 2.02 2.01 -1.26 -4.93 115.64 116.19 3mwz s THR 76 Ca 0.52 1.73 -0.32 0.00 0.31 0.00 0.00 61.69 63.94 3mwz s THR 76 Cb -0.10 -4.18 -0.10 0.00 0.01 0.00 0.00 72.50 68.14 3mwz s THR 76 CO 0.33 0.05 1.56 -0.47 -0.69 0.00 0.00 174.62 175.39 3mwz s TYR 77 N 1.94 3.06 -0.11 4.92 5.04 -1.26 -5.00 117.35 125.94 3mwz s TYR 77 Ca 0.41 0.64 -0.01 0.00 -2.44 0.00 0.00 57.07 55.67 3mwz s TYR 77 Cb -0.17 -3.91 0.03 0.00 0.35 0.00 0.00 41.96 38.26 3mwz s TYR 77 CO 0.15 -3.35 -0.01 1.21 -1.34 0.00 0.00 175.55 172.21 3mwz s ASN 78 N 1.18 2.02 0.27 4.32 3.84 -1.26 -5.05 114.94 120.25 3mwz s ASN 78 Ca 0.70 -0.30 -0.00 0.00 0.21 0.00 0.00 52.86 53.47 3mwz s ASN 78 Cb -0.43 -0.57 0.51 0.00 -0.55 0.00 0.00 41.25 40.21 3mwz s ASN 78 CO 0.31 -0.20 1.82 0.07 -2.79 0.00 0.00 177.10 176.32 3mwz h LYS 79 N 8.27 0.90 -0.63 0.43 2.10 -1.95 -1.21 116.57 124.48 3mwz h LYS 79 Ca -0.21 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.38 3mwz h LYS 79 Cb 1.12 -0.20 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 3mwz h LYS 79 CO 0.31 0.59 0.00 -0.40 -2.00 0.00 0.00 179.45 177.95 3mwz n ASP 80 N -4.66 5.12 0.00 7.07 5.68 -1.26 -4.07 116.55 124.42 3mwz n ASP 80 Ca 0.17 -2.78 0.00 0.00 -0.50 0.00 0.00 54.79 51.68 3mwz n ASP 80 Cb 0.34 -0.66 0.00 0.00 -1.14 0.00 0.00 41.12 39.66 3mwz n ASP 80 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 3mwz n THR 81 N 0.60 0.00 -1.78 2.12 5.66 -0.86 -4.90 114.28 115.13 3mwz n THR 81 Ca 0.24 -0.11 -0.21 0.00 -3.05 0.00 0.00 64.05 60.92 3mwz n THR 81 Cb 1.07 1.23 0.07 0.00 -1.55 0.00 0.00 70.33 71.14 3mwz n THR 81 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3mwz s GLN 83 N -3.57 3.03 0.34 0.00 -0.21 -1.26 -4.07 119.66 113.93 3mwz s GLN 83 Ca 0.52 1.81 -0.23 0.00 0.02 0.00 0.00 55.36 57.47 3mwz s GLN 83 Cb 0.43 -1.95 -0.10 0.00 1.00 0.00 0.00 33.01 32.39 3mwz s GLN 83 CO 0.02 -1.15 0.91 0.00 -2.12 0.00 0.00 175.29 172.94 3mwz s ALA 84 N -1.61 3.19 0.45 6.09 0.00 -1.26 -3.47 121.76 125.15 3mwz s ALA 84 Ca 0.77 0.42 -0.23 0.00 0.00 0.00 0.00 51.96 52.92 3mwz s ALA 84 Cb -0.30 -3.11 -0.08 0.00 0.00 0.00 0.00 23.12 19.64 3mwz s ALA 84 CO 0.32 0.19 1.13 -0.80 0.00 0.00 0.00 175.76 176.61 3mwz s ASN 85 N -1.81 6.29 0.56 0.00 0.01 -1.26 -4.94 114.94 113.78 3mwz s ASN 85 Ca 0.53 2.23 0.24 0.00 -0.71 0.00 0.00 52.86 55.15 3mwz s ASN 85 Cb -0.15 -2.60 1.51 0.00 0.41 0.00 0.00 41.25 40.42 3mwz s ASN 85 CO 0.20 -0.83 2.12 0.00 -1.51 0.00 0.00 177.10 177.08 3mwz h ALA 86 N 2.09 1.95 -0.01 0.60 0.00 -1.98 -1.81 119.26 120.10 3mwz h ALA 86 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3mwz h ALA 86 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3mwz h ALA 86 CO 0.60 -0.22 -0.01 0.27 0.00 0.00 0.00 179.25 179.89 3mwz n ASN 87 N -4.16 1.00 -4.77 0.00 6.94 -1.26 -4.88 115.26 108.13 3mwz n ASN 87 Ca 0.01 -1.29 -0.38 0.00 -0.02 0.00 0.00 54.58 52.90 3mwz n ASN 87 Cb 0.26 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.65 3mwz n ASN 87 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3mwz s ALA 88 N -2.04 3.21 0.22 -2.53 0.00 -0.68 -4.96 121.76 114.97 3mwz s ALA 88 Ca 0.40 0.85 -0.31 0.00 0.00 0.00 0.00 51.96 52.89 3mwz s ALA 88 Cb 0.21 -3.32 -0.11 0.00 0.00 0.00 0.00 23.12 19.89 3mwz s ALA 88 CO 0.36 -0.29 1.67 0.00 0.00 0.00 0.00 175.76 177.49 3mwz s ALA 89 N -1.43 3.87 0.02 0.00 0.00 -1.26 -4.94 121.76 118.03 3mwz s ALA 89 Ca 0.53 1.55 0.02 0.00 0.00 0.00 0.00 51.96 54.06 3mwz s ALA 89 Cb -0.28 -3.67 -0.04 0.00 0.00 0.00 0.00 23.12 19.13 3mwz s ALA 89 CO 0.35 -0.91 0.03 -0.65 0.00 0.00 0.00 175.76 174.58 3mwz s GLN 90 N 0.77 2.84 0.07 0.00 -0.21 -1.26 -4.29 119.66 117.59 3mwz s GLN 90 Ca 0.71 -0.62 -0.04 0.00 0.02 0.00 0.00 55.36 55.43 3mwz s GLN 90 Cb -0.48 -2.71 -0.03 0.00 1.00 0.00 0.00 33.01 30.79 3mwz s GLN 90 CO 0.36 0.61 0.06 -0.98 -2.12 0.00 0.00 175.29 173.22 3mwz s ARG 91 N -1.84 0.73 -0.15 2.91 1.70 -0.39 -4.51 118.95 117.41 3mwz s ARG 91 Ca 0.23 -1.15 -0.19 0.00 -0.47 0.00 0.00 55.73 54.15 3mwz s ARG 91 Cb -0.12 0.26 -0.04 0.00 -0.57 0.00 0.00 34.95 34.49 3mwz s ARG 91 CO 0.14 -0.19 0.52 0.99 -1.08 0.00 0.00 175.30 175.69 3mwz s THR 92 N -3.91 5.13 0.03 4.99 2.01 -1.26 -0.85 115.64 121.78 3mwz s THR 92 Ca 0.08 1.02 0.08 0.00 0.31 0.00 0.00 61.69 63.18 3mwz s THR 92 Cb 0.07 -3.86 -0.03 0.00 0.01 0.00 0.00 72.50 68.70 3mwz s THR 92 CO -0.09 0.25 -0.23 0.00 -0.69 0.00 0.00 174.62 173.86 3mwz s THR 94 N -0.75 2.13 0.02 0.00 2.01 0.36 -0.22 115.64 119.19 3mwz s THR 94 Ca 0.09 -0.98 0.06 0.00 0.31 0.00 0.00 61.69 61.17 3mwz s THR 94 Cb -0.09 -1.83 -0.02 0.00 0.01 0.00 0.00 72.50 70.57 3mwz s THR 94 CO 0.01 0.55 -0.18 0.28 -0.69 0.00 0.00 174.62 174.60 3mwz s THR 95 N 0.53 1.44 -0.25 -0.82 -1.32 -0.38 -1.30 115.64 113.53 3mwz s THR 95 Ca -0.14 -0.95 -0.03 0.00 -1.21 0.00 0.00 61.69 59.36 3mwz s THR 95 Cb -0.17 -1.23 0.01 0.00 -1.51 0.00 0.00 72.50 69.60 3mwz s THR 95 CO 0.05 0.26 -0.02 -0.69 -2.21 0.00 0.00 174.62 172.00 3mwz s VAL 96 N -0.62 3.26 -0.26 5.08 1.01 -0.55 -0.68 120.40 127.65 3mwz s VAL 96 Ca 0.06 -0.80 -0.10 0.00 0.00 0.00 0.00 61.98 61.14 3mwz s VAL 96 Cb -0.08 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 3mwz s VAL 96 CO 0.00 0.24 0.16 -0.63 0.00 0.00 0.00 175.10 174.87 3mwz s ILE 97 N 1.41 5.18 -0.25 2.22 1.01 -0.14 -0.54 121.20 130.09 3mwz s ILE 97 Ca 0.02 0.12 -0.11 0.00 0.00 0.00 0.00 60.65 60.68 3mwz s ILE 97 Cb -0.16 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 3mwz s ILE 97 CO -0.03 0.29 0.20 -0.47 0.00 0.00 0.00 174.94 174.93 3mwz s TYR 98 N 1.51 3.28 -0.18 3.97 5.04 -0.15 -0.48 117.35 130.34 3mwz s TYR 98 Ca 0.07 0.22 -0.01 0.00 -2.44 0.00 0.00 57.07 54.92 3mwz s TYR 98 Cb -0.15 -2.34 0.00 0.00 0.35 0.00 0.00 41.96 39.82 3mwz s TYR 98 CO 0.08 -0.03 -0.14 0.50 -1.34 0.00 0.00 175.55 174.62 3mwz s ARG 99 N 1.37 3.18 0.00 4.97 3.52 -0.00 -1.17 118.95 130.82 3mwz s ARG 99 Ca 0.08 -0.74 0.00 0.00 -0.13 0.00 0.00 55.73 54.94 3mwz s ARG 99 Cb -0.15 -2.72 0.00 0.00 -1.56 0.00 0.00 34.95 30.53 3mwz s ARG 99 CO 0.07 -0.13 0.00 0.27 -0.81 0.00 0.00 175.30 174.70 3mwz n ASN 100 N 4.48 0.00 0.00 -2.12 0.23 -0.53 -0.63 115.26 116.69 3mwz n ASN 100 Ca -0.20 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.85 3mwz n ASN 100 Cb 0.51 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.21 3mwz n ASN 100 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3mwz n GLN 102 N 0.00 0.00 -0.31 -3.83 0.00 -1.26 -4.16 117.38 107.82 3mwz n GLN 102 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.00 3mwz n GLN 102 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 3mwz n GLN 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3mwz n GLY 103 N 0.00 0.79 3.70 2.61 0.00 -1.26 -5.05 105.19 105.98 3mwz n GLY 103 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3mwz n GLY 103 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mwz s GLU 104 N -0.69 4.28 0.13 1.61 2.02 -1.26 -5.05 118.70 119.75 3mwz s GLU 104 Ca 0.00 0.46 0.06 0.00 0.02 0.00 0.00 54.97 55.51 3mwz s GLU 104 Cb 0.00 -3.49 -0.04 0.00 0.10 0.00 0.00 34.13 30.70 3mwz s GLU 104 CO 0.00 0.02 -0.00 -1.59 0.02 0.00 0.00 175.26 173.70 3mwz s LYS 105 N 1.09 2.46 0.16 1.61 -2.85 -1.26 -1.46 119.74 119.48 3mwz s LYS 105 Ca 0.26 -0.98 -0.10 0.00 -1.00 0.00 0.00 55.97 54.15 3mwz s LYS 105 Cb -0.15 -2.44 -0.00 0.00 -2.06 0.00 0.00 37.83 33.17 3mwz s LYS 105 CO 0.10 0.50 0.31 -1.54 0.10 0.00 0.00 175.35 174.82 3mwz s SER 106 N -2.63 -0.00 -0.50 0.03 1.04 -0.31 -5.00 113.70 106.33 3mwz s SER 106 Ca 0.26 -0.76 -0.18 0.00 0.48 0.00 0.00 55.95 55.75 3mwz s SER 106 Cb -0.10 0.44 0.06 0.00 0.10 0.00 0.00 66.02 66.52 3mwz s SER 106 CO 0.18 -0.89 0.58 -0.63 0.98 0.00 0.00 173.24 173.46 3mwz s ILE 107 N -3.93 4.95 0.12 -1.02 1.01 -1.26 -0.98 121.20 120.08 3mwz s ILE 107 Ca 0.14 -0.58 -0.10 0.00 0.00 0.00 0.00 60.65 60.11 3mwz s ILE 107 Cb 0.03 -4.26 -0.16 0.00 0.01 0.00 0.00 42.46 38.08 3mwz s ILE 107 CO -0.03 -0.75 1.32 -1.13 0.00 0.00 0.00 174.94 174.35 3mwz h ASN 108 N 8.94 0.81 -5.00 3.58 -0.73 -1.17 -3.47 115.58 118.54 3mwz h ASN 108 Ca -0.28 -0.56 -0.10 0.00 1.87 0.00 0.00 56.30 57.23 3mwz h ASN 108 Cb 1.10 -0.24 -0.19 0.00 0.27 0.00 0.00 38.32 39.25 3mwz h ASN 108 CO 0.94 1.35 -0.18 -0.94 -0.37 0.00 0.00 177.43 178.23 3mwz s SER 109 N -7.11 -0.27 -0.23 1.15 1.04 -1.07 -4.98 113.70 102.25 3mwz s SER 109 Ca -0.09 0.15 -0.03 0.00 0.48 0.00 0.00 55.95 56.45 3mwz s SER 109 Cb 0.09 0.36 0.12 0.00 0.10 0.00 0.00 66.02 66.69 3mwz s SER 109 CO 0.89 -0.51 0.34 0.12 0.98 0.00 0.00 173.24 175.06 3mwz s PHE 110 N -1.55 -0.68 -0.06 5.02 5.36 -1.26 -1.48 117.98 123.32 3mwz s PHE 110 Ca -0.11 0.74 0.01 0.00 -0.96 0.00 0.00 56.93 56.61 3mwz s PHE 110 Cb -0.04 -0.05 0.02 0.00 -0.34 0.00 0.00 43.02 42.61 3mwz s PHE 110 CO 0.04 -0.67 -0.09 -1.21 -1.46 0.00 0.00 175.22 171.84 3mwz s GLU 111 N 2.50 1.32 -0.11 10.12 2.02 -0.42 -4.99 118.70 129.13 3mwz s GLU 111 Ca 0.10 -0.27 0.00 0.00 0.02 0.00 0.00 54.97 54.83 3mwz s GLU 111 Cb -0.15 -1.19 -0.02 0.00 0.10 0.00 0.00 34.13 32.87 3mwz s GLU 111 CO -0.14 -0.05 -0.11 0.00 0.02 0.00 0.00 175.26 174.98 3mwz s ALA 113 N -0.03 2.87 0.63 0.00 0.00 0.51 -5.00 121.76 120.74 3mwz s ALA 113 Ca -0.02 0.57 -0.18 0.00 0.00 0.00 0.00 51.96 52.34 3mwz s ALA 113 Cb -0.14 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 3mwz s ALA 113 CO 0.04 -0.34 1.22 0.00 0.00 0.00 0.00 175.76 176.67 3mwz s ALA 114 N -2.04 2.42 -2.00 0.00 0.00 -1.26 -4.28 121.76 114.60 3mwz s ALA 114 Ca 0.67 1.01 0.15 0.00 0.00 0.00 0.00 51.96 53.78 3mwz s ALA 114 Cb -0.16 -3.47 0.89 0.00 0.00 0.00 0.00 23.12 20.38 3mwz s ALA 114 CO 0.21 -1.40 1.30 0.00 0.00 0.00 0.00 175.76 175.87