#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mdg n GLN 19 N 0.00 0.02 -2.77 -2.82 10.64 -1.26 -4.27 117.38 116.92 3mdg n GLN 19 Ca 0.00 0.00 -0.38 0.00 -1.83 0.00 0.00 57.00 54.80 3mdg n GLN 19 Cb 0.00 -1.51 0.00 0.00 -0.86 0.00 0.00 30.24 27.87 3mdg n GLN 19 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 3mdg n PHE 20 N -1.54 3.03 0.00 2.61 3.01 -1.26 -4.99 117.46 118.33 3mdg n PHE 20 Ca 0.05 -2.93 0.00 0.00 1.01 0.00 0.00 57.45 55.58 3mdg n PHE 20 Cb 0.34 -1.03 0.00 0.00 -0.01 0.00 0.00 39.48 38.79 3mdg n PHE 20 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3mdg n GLY 21 N 0.06 1.88 3.67 1.37 0.00 -1.26 -5.14 105.19 105.77 3mdg n GLY 21 Ca 0.41 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 3mdg n GLY 21 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mdg n ASN 22 N 0.00 2.20 -4.57 1.61 3.02 -1.26 -4.92 115.26 111.34 3mdg n ASN 22 Ca 0.00 1.10 -0.41 0.00 -0.03 0.00 0.00 54.58 55.25 3mdg n ASN 22 Cb 0.00 -1.45 -0.08 0.00 -0.61 0.00 0.00 39.78 37.63 3mdg n ASN 22 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3mdg s LYS 23 N -2.10 3.75 -0.82 3.52 3.01 -1.26 -4.92 119.74 120.92 3mdg s LYS 23 Ca 0.61 -0.09 -0.23 0.00 -1.01 0.00 0.00 55.97 55.25 3mdg s LYS 23 Cb -0.53 -3.76 0.06 0.00 -1.01 0.00 0.00 37.83 32.59 3mdg s LYS 23 CO 0.58 -0.52 1.20 0.71 0.51 0.00 0.00 175.35 177.84 3mdg s TYR 24 N 2.27 2.60 0.07 3.18 2.02 -1.26 -4.99 117.35 121.24 3mdg s TYR 24 Ca 0.17 -0.62 -0.31 0.00 -0.37 0.00 0.00 57.07 55.95 3mdg s TYR 24 Cb -0.16 -4.49 -0.09 0.00 -0.40 0.00 0.00 41.96 36.83 3mdg s TYR 24 CO 0.12 -1.82 1.73 0.42 -1.57 0.00 0.00 175.55 174.43 3mdg s ILE 25 N 4.53 2.96 0.32 2.71 1.01 -1.26 -5.02 121.20 126.45 3mdg s ILE 25 Ca 0.33 0.35 0.07 0.00 0.00 0.00 0.00 60.65 61.40 3mdg s ILE 25 Cb -0.08 -3.22 -0.02 0.00 0.01 0.00 0.00 42.46 39.14 3mdg s ILE 25 CO 0.03 -0.01 0.33 -1.10 0.00 0.00 0.00 174.94 174.19 3mdg s GLN 26 N 3.01 2.88 0.22 2.79 1.11 -1.26 -5.07 119.66 123.34 3mdg s GLN 26 Ca 0.77 -1.17 -0.32 0.00 0.01 0.00 0.00 55.36 54.65 3mdg s GLN 26 Cb -0.41 -2.59 -0.14 0.00 -1.01 0.00 0.00 33.01 28.86 3mdg s GLN 26 CO 0.34 0.14 1.43 0.94 0.01 0.00 0.00 175.29 178.15 3mdg n GLN 27 N -1.42 2.03 0.06 2.91 7.27 -1.26 -4.92 117.38 122.05 3mdg n GLN 27 Ca -0.02 0.72 -0.11 0.00 0.07 0.00 0.00 57.00 57.66 3mdg n GLN 27 Cb 0.59 -2.39 -0.08 0.00 2.41 0.00 0.00 30.24 30.77 3mdg n GLN 27 CO 0.00 0.00 0.00 1.15 0.07 0.00 0.00 177.06 178.28 3mdg h THR 28 N 3.14 0.85 -4.00 1.69 2.02 -2.00 -3.45 112.91 111.16 3mdg h THR 28 Ca -0.45 -1.10 -0.52 0.00 0.77 0.00 0.00 66.41 65.10 3mdg h THR 28 Cb 1.27 1.41 0.09 0.00 -1.74 0.00 0.00 68.15 69.18 3mdg h THR 28 CO 0.78 0.22 0.55 -1.59 0.37 0.00 0.00 175.52 175.84 3mdg s LYS 29 N -3.49 3.65 0.69 6.66 -2.85 -1.26 -4.98 119.74 118.16 3mdg s LYS 29 Ca -0.13 1.99 -0.16 0.00 -1.00 0.00 0.00 55.97 56.67 3mdg s LYS 29 Cb 0.01 -2.46 0.00 0.00 -2.06 0.00 0.00 37.83 33.32 3mdg s LYS 29 CO 0.48 -0.70 1.10 -2.30 0.10 0.00 0.00 175.35 174.03 3mdg n PRO 30 N -0.47 0.70 0.31 1.78 -0.02 -1.26 -4.71 135.00 131.33 3mdg n PRO 30 Ca 0.07 0.30 0.20 0.00 -2.02 0.00 0.00 63.50 62.05 3mdg n PRO 30 Cb 0.46 -2.34 0.99 0.00 -0.02 0.00 0.00 33.50 32.59 3mdg n PRO 30 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3mdg h LEU 31 N -0.00 0.00 -1.19 2.45 4.07 -1.94 -0.70 115.31 118.00 3mdg h LEU 31 Ca -0.48 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.42 3mdg h LEU 31 Cb 1.34 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.07 3mdg h LEU 31 CO 0.49 0.01 -0.25 0.71 -1.08 0.00 0.00 178.44 178.32 3mdg h THR 32 N 0.00 0.65 0.00 0.22 1.35 -2.02 -3.32 112.91 109.79 3mdg h THR 32 Ca -0.00 -1.14 -0.41 0.00 -0.55 0.00 0.00 66.41 64.32 3mdg h THR 32 Cb 0.20 1.74 -0.07 0.00 -1.73 0.00 0.00 68.15 68.29 3mdg h THR 32 CO 0.00 0.24 -2.48 -0.11 -0.25 0.00 0.00 175.52 172.92 3mdg n LEU 33 N -3.48 2.72 -3.75 3.87 7.94 -0.39 -4.86 117.00 119.05 3mdg n LEU 33 Ca -0.00 -0.02 -0.28 0.00 -1.11 0.00 0.00 56.01 54.60 3mdg n LEU 33 Cb 0.42 -0.88 -0.16 0.00 0.53 0.00 0.00 43.42 43.33 3mdg n LEU 33 CO 0.34 0.84 -0.36 -0.70 -1.11 0.00 0.00 177.39 176.40 3mdg s GLU 34 N -2.51 0.73 -0.40 1.96 2.12 -0.46 -5.03 118.70 115.11 3mdg s GLU 34 Ca -0.36 -0.61 -0.10 0.00 0.36 0.00 0.00 54.97 54.26 3mdg s GLU 34 Cb 0.10 -2.09 0.06 0.00 0.26 0.00 0.00 34.13 32.46 3mdg s GLU 34 CO 0.57 -0.72 0.24 0.50 -0.54 0.00 0.00 175.26 175.30 3mdg s ARG 35 N 1.78 2.69 -0.09 4.30 6.06 -1.25 -4.34 118.95 128.10 3mdg s ARG 35 Ca 0.01 -1.32 -0.15 0.00 -2.50 0.00 0.00 55.73 51.77 3mdg s ARG 35 Cb -0.17 -3.76 -0.05 0.00 0.06 0.00 0.00 34.95 31.03 3mdg s ARG 35 CO -0.13 -0.86 0.37 0.99 -2.50 0.00 0.00 175.30 173.17 3mdg s THR 36 N 1.48 5.19 -0.04 4.11 2.01 -1.26 -1.08 115.64 126.05 3mdg s THR 36 Ca 0.02 0.73 0.01 0.00 0.31 0.00 0.00 61.69 62.77 3mdg s THR 36 Cb -0.22 -3.69 0.02 0.00 0.01 0.00 0.00 72.50 68.62 3mdg s THR 36 CO 0.04 0.45 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.74 3mdg s ILE 37 N -0.11 0.52 -0.15 1.82 -1.09 -0.69 -4.96 121.20 116.54 3mdg s ILE 37 Ca 0.21 -0.14 -0.28 0.00 -2.23 0.00 0.00 60.65 58.21 3mdg s ILE 37 Cb -0.15 -0.53 -0.01 0.00 -1.58 0.00 0.00 42.46 40.19 3mdg s ILE 37 CO 0.09 0.21 0.94 0.20 -1.23 0.00 0.00 174.94 175.15 3mdg s ASN 38 N 0.74 7.11 -0.12 3.58 -0.87 -1.26 -0.39 114.94 123.72 3mdg s ASN 38 Ca -0.10 1.37 -0.02 0.00 -1.57 0.00 0.00 52.86 52.54 3mdg s ASN 38 Cb -0.13 -2.51 -0.03 0.00 -0.02 0.00 0.00 41.25 38.56 3mdg s ASN 38 CO 0.00 -0.46 -0.06 -0.76 -2.57 0.00 0.00 177.10 173.24 3mdg s LEU 39 N 2.25 3.12 0.30 0.60 1.43 0.12 -4.71 118.68 121.80 3mdg s LEU 39 Ca 0.44 -0.13 0.09 0.00 -1.03 0.00 0.00 54.13 53.49 3mdg s LEU 39 Cb -0.17 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 3mdg s LEU 39 CO 0.14 0.23 0.08 -0.31 0.23 0.00 0.00 176.35 176.72 3mdg s TYR 40 N -0.01 2.74 0.62 0.29 2.02 -1.26 0.16 117.35 121.92 3mdg s TYR 40 Ca -0.00 -0.28 -0.17 0.00 -0.37 0.00 0.00 57.07 56.24 3mdg s TYR 40 Cb -0.14 -1.41 -0.02 0.00 -0.40 0.00 0.00 41.96 39.99 3mdg s TYR 40 CO 0.03 0.49 1.16 -2.14 -1.57 0.00 0.00 175.55 173.51 3mdg s PRO 41 N -3.77 2.90 0.30 -1.71 0.02 -1.26 -1.33 135.00 130.16 3mdg s PRO 41 Ca 0.34 1.63 0.01 0.00 0.02 0.00 0.00 61.00 62.99 3mdg s PRO 41 Cb -0.05 -1.94 0.53 0.00 0.02 0.00 0.00 34.50 33.05 3mdg s PRO 41 CO 0.22 -1.21 1.91 1.25 -0.33 0.00 0.00 177.00 178.83 3mdg h LEU 42 N 0.54 0.91 0.00 -5.54 5.85 -1.60 -1.06 115.31 114.41 3mdg h LEU 42 Ca -0.49 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3mdg h LEU 42 Cb 1.27 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 42.11 3mdg h LEU 42 CO 0.54 0.58 0.00 0.35 -0.34 0.00 0.00 178.44 179.58 3mdg n THR 43 N -4.49 0.00 0.67 1.05 -2.24 -1.26 -1.37 114.28 106.64 3mdg n THR 43 Ca 0.14 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.04 3mdg n THR 43 Cb 0.20 -0.76 0.35 0.00 -2.10 0.00 0.00 70.33 68.02 3mdg n THR 43 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3mdg n ASN 44 N -0.91 0.67 -4.61 3.42 4.13 -0.40 -4.91 115.26 112.65 3mdg n ASN 44 Ca 0.06 0.38 -0.30 0.00 1.68 0.00 0.00 54.58 56.40 3mdg n ASN 44 Cb 0.03 -0.42 -0.09 0.00 -1.54 0.00 0.00 39.78 37.76 3mdg n ASN 44 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 3mdg s TYR 45 N -3.10 2.84 -0.10 3.10 2.02 -0.47 -4.02 117.35 117.61 3mdg s TYR 45 Ca 0.10 -0.10 0.00 0.00 -0.37 0.00 0.00 57.07 56.70 3mdg s TYR 45 Cb 0.14 -1.50 -0.02 0.00 -0.40 0.00 0.00 41.96 40.18 3mdg s TYR 45 CO 0.63 0.43 -0.11 0.99 -1.57 0.00 0.00 175.55 175.93 3mdg s THR 46 N -1.20 3.31 -0.09 -0.71 2.01 -0.81 -5.01 115.64 113.14 3mdg s THR 46 Ca 0.22 -0.59 0.04 0.00 0.31 0.00 0.00 61.69 61.66 3mdg s THR 46 Cb -0.11 -2.37 -0.01 0.00 0.01 0.00 0.00 72.50 70.02 3mdg s THR 46 CO 0.14 0.55 -0.21 -0.36 -0.69 0.00 0.00 174.62 174.04 3mdg s PHE 47 N -0.10 2.58 0.00 4.92 0.08 -1.26 -0.81 117.98 123.39 3mdg s PHE 47 Ca -0.01 -0.77 0.00 0.00 0.12 0.00 0.00 56.93 56.28 3mdg s PHE 47 Cb -0.14 -1.69 0.00 0.00 -0.57 0.00 0.00 43.02 40.62 3mdg s PHE 47 CO 0.03 -0.25 0.00 0.41 -0.10 0.00 0.00 175.22 175.31 3mdg n GLY 48 N 3.21 4.50 3.26 4.36 0.00 0.10 -4.99 105.19 115.63 3mdg n GLY 48 Ca -0.18 -2.05 -0.25 0.00 0.00 0.00 0.00 46.02 43.54 3mdg n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mdg s THR 49 N -1.05 1.67 0.29 2.61 2.01 -1.26 -1.05 115.64 118.87 3mdg s THR 49 Ca 0.00 -1.31 0.06 0.00 0.31 0.00 0.00 61.69 60.75 3mdg s THR 49 Cb 0.00 -1.48 -0.02 0.00 0.01 0.00 0.00 72.50 71.01 3mdg s THR 49 CO 0.00 0.12 0.20 2.29 -0.69 0.00 0.00 174.62 176.54 3mdg n LYS 50 N 1.60 0.42 -1.72 4.92 2.85 -0.35 -4.71 118.16 121.17 3mdg n LYS 50 Ca -0.18 -2.79 -0.41 0.00 -1.05 0.00 0.00 58.31 53.88 3mdg n LYS 50 Cb 0.53 2.07 0.01 0.00 -0.65 0.00 0.00 35.03 37.00 3mdg n LYS 50 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3mdg n GLU 51 N -0.59 2.07 -1.76 -1.58 4.71 -1.26 -0.01 120.64 122.22 3mdg n GLU 51 Ca 0.03 0.74 -0.39 0.00 -0.01 0.00 0.00 57.16 57.53 3mdg n GLU 51 Cb 0.50 -2.47 0.03 0.00 -1.01 0.00 0.00 31.44 28.49 3mdg n GLU 51 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 3mdg n PRO 52 N -0.00 2.07 -3.72 3.49 -0.04 -1.26 -3.74 135.00 131.80 3mdg n PRO 52 Ca 0.06 0.75 -0.37 0.00 -0.04 0.00 0.00 63.50 63.89 3mdg n PRO 52 Cb 0.40 -2.62 -0.11 0.00 -0.04 0.00 0.00 33.50 31.13 3mdg n PRO 52 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3mdg s LEU 53 N -2.99 5.31 0.46 1.53 2.96 -1.26 -4.86 118.68 119.83 3mdg s LEU 53 Ca 0.65 -1.96 -0.15 0.00 -0.22 0.00 0.00 54.13 52.44 3mdg s LEU 53 Cb -0.44 -1.87 -0.08 0.00 0.50 0.00 0.00 46.19 44.30 3mdg s LEU 53 CO 0.55 -0.57 0.90 -0.31 -1.32 0.00 0.00 176.35 175.60 3mdg s TYR 54 N 1.20 3.43 0.54 5.38 2.02 -1.26 -4.94 117.35 123.72 3mdg s TYR 54 Ca 0.07 1.36 -0.19 0.00 -0.37 0.00 0.00 57.07 57.93 3mdg s TYR 54 Cb -0.23 -2.69 -0.06 0.00 -0.40 0.00 0.00 41.96 38.58 3mdg s TYR 54 CO -0.03 -0.23 1.09 -1.21 -1.57 0.00 0.00 175.55 173.60 3mdg s GLU 55 N -3.81 3.47 0.58 -0.62 0.41 -1.26 -4.92 118.70 112.54 3mdg s GLU 55 Ca 0.57 1.47 0.36 0.00 -0.41 0.00 0.00 54.97 56.97 3mdg s GLU 55 Cb -0.10 -2.04 1.66 0.00 -1.78 0.00 0.00 34.13 31.87 3mdg s GLU 55 CO 0.28 -0.73 2.09 0.87 -0.49 0.00 0.00 175.26 177.28 3mdg h LYS 56 N 1.18 0.00 -5.14 1.61 1.57 -2.02 -3.42 116.57 110.34 3mdg h LYS 56 Ca -0.49 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 57.63 3mdg h LYS 56 Cb 1.24 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 33.26 3mdg h LYS 56 CO 0.57 0.00 -0.78 -0.51 -0.57 0.00 0.00 179.45 178.17 3mdg s ASP 57 N -5.49 3.88 0.00 0.86 1.01 -1.26 -4.99 116.67 110.68 3mdg s ASP 57 Ca -0.01 -0.43 0.28 0.00 0.71 0.00 0.00 52.55 53.10 3mdg s ASP 57 Cb 0.10 -1.62 1.42 0.00 1.01 0.00 0.00 42.92 43.83 3mdg s ASP 57 CO 0.50 0.06 1.96 -1.20 0.21 0.00 0.00 175.17 176.70 3mdg n SER 58 N 4.23 0.00 -3.65 0.27 7.64 -1.26 -4.88 113.62 115.97 3mdg n SER 58 Ca -0.19 -0.16 0.01 0.00 1.01 0.00 0.00 58.87 59.54 3mdg n SER 58 Cb 0.51 -0.27 -0.00 0.00 -1.01 0.00 0.00 64.21 63.44 3mdg n SER 58 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3mdg s SER 59 N -2.54 -0.07 0.10 6.43 1.04 -1.26 -5.00 113.70 112.41 3mdg s SER 59 Ca 0.27 -0.20 -0.25 0.00 0.48 0.00 0.00 55.95 56.25 3mdg s SER 59 Cb 0.19 0.22 -0.10 0.00 0.10 0.00 0.00 66.02 66.42 3mdg s SER 59 CO 0.42 -0.41 1.68 0.58 0.98 0.00 0.00 173.24 176.49 3mdg h VAL 60 N 2.00 0.66 -0.66 5.02 2.07 -2.00 -2.41 116.25 120.93 3mdg h VAL 60 Ca -0.29 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.29 3mdg h VAL 60 Cb 1.21 0.66 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 3mdg h VAL 60 CO 0.28 0.00 0.37 0.00 0.02 0.00 0.00 177.57 178.24 3mdg h ALA 61 N 0.56 0.88 0.00 1.67 0.00 -1.99 0.83 119.26 121.21 3mdg h ALA 61 Ca 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3mdg h ALA 61 Cb 0.31 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3mdg h ALA 61 CO -0.08 0.05 -0.00 0.00 0.00 0.00 0.00 179.25 179.22 3mdg h ALA 62 N 1.34 1.03 0.04 0.00 0.00 -1.89 -1.90 119.26 117.88 3mdg h ALA 62 Ca 0.29 -0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.83 3mdg h ALA 62 Cb 0.17 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 3mdg h ALA 62 CO -0.18 0.00 -2.25 2.89 0.00 0.00 0.00 179.25 179.72 3mdg n ARG 63 N -3.13 0.69 0.23 0.00 1.85 0.21 -2.19 116.66 114.31 3mdg n ARG 63 Ca -0.02 0.17 0.13 0.00 -1.00 0.00 0.00 57.85 57.12 3mdg n ARG 63 Cb 0.11 -1.60 0.24 0.00 -1.05 0.00 0.00 32.46 30.16 3mdg n ARG 63 CO 0.00 0.00 0.00 0.74 -0.01 0.00 0.00 177.63 178.36 3mdg h PHE 64 N 0.02 0.00 0.16 2.89 0.04 -1.34 -0.85 116.94 117.86 3mdg h PHE 64 Ca -0.50 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.26 3mdg h PHE 64 Cb 2.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.16 3mdg h PHE 64 CO 0.04 0.00 -0.08 0.37 -0.60 0.00 0.00 178.31 178.04 3mdg h GLN 65 N 0.00 -0.21 -0.11 1.51 5.75 -1.47 -0.83 115.11 119.75 3mdg h GLN 65 Ca 0.00 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.52 3mdg h GLN 65 Cb 0.93 0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.53 3mdg h GLN 65 CO 0.00 0.19 0.07 -0.09 -2.65 0.00 0.00 178.83 176.36 3mdg h ARG 66 N -0.70 0.11 -0.26 1.69 2.43 -1.42 -0.86 114.38 115.38 3mdg h ARG 66 Ca -0.02 -0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 58.96 3mdg h ARG 66 Cb 0.50 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3mdg h ARG 66 CO 0.04 0.08 -0.53 1.98 -1.51 0.00 0.00 179.97 180.02 3mdg h MET 67 N 0.12 0.82 0.30 0.20 4.05 -1.08 -1.08 114.93 118.25 3mdg h MET 67 Ca 0.04 -0.53 -0.01 0.00 -0.28 0.00 0.00 59.70 58.92 3mdg h MET 67 Cb 0.03 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 3mdg h MET 67 CO -0.01 1.16 -0.14 0.00 0.23 0.00 0.00 176.91 178.15 3mdg h ARG 68 N 0.58 -0.39 0.02 0.39 3.08 -0.50 -1.61 114.38 115.94 3mdg h ARG 68 Ca 0.01 0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.11 3mdg h ARG 68 Cb 1.14 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 31.24 3mdg h ARG 68 CO 0.12 -0.20 -0.22 0.93 -1.07 0.00 0.00 179.97 179.52 3mdg h GLU 69 N -0.49 -0.35 -0.67 0.04 5.08 -1.19 -1.99 114.58 115.01 3mdg h GLU 69 Ca -0.04 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3mdg h GLU 69 Cb 0.37 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 3mdg h GLU 69 CO 0.07 -0.23 0.44 0.93 -1.00 0.00 0.00 179.01 179.21 3mdg h GLU 70 N -0.36 0.75 -0.92 2.33 5.08 -1.22 -1.86 114.58 118.37 3mdg h GLU 70 Ca 0.06 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 3mdg h GLU 70 Cb 0.43 -0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 3mdg h GLU 70 CO -0.19 0.50 0.61 0.35 -1.00 0.00 0.00 179.01 179.27 3mdg h PHE 71 N 0.77 1.13 -0.21 4.33 3.57 -0.55 0.15 116.94 126.13 3mdg h PHE 71 Ca 0.27 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.70 3mdg h PHE 71 Cb 0.10 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 3mdg h PHE 71 CO -0.00 0.67 -0.27 -0.44 -2.23 0.00 0.00 178.31 176.04 3mdg h ASP 72 N 1.18 0.41 -0.03 0.41 3.32 -0.92 -2.22 116.42 118.57 3mdg h ASP 72 Ca 0.36 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3mdg h ASP 72 Cb -0.02 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.42 3mdg h ASP 72 CO -0.10 0.67 0.00 2.29 -1.72 0.00 0.00 179.24 180.38 3mdg n LYS 73 N -4.12 1.06 0.00 3.56 2.85 -0.96 -4.69 118.16 115.86 3mdg n LYS 73 Ca -0.01 -1.08 0.00 0.00 -1.05 0.00 0.00 58.31 56.17 3mdg n LYS 73 Cb 0.40 -1.04 0.00 0.00 -0.65 0.00 0.00 35.03 33.74 3mdg n LYS 73 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 3mdg n ILE 74 N -0.11 0.00 -2.14 0.58 -5.35 0.49 -5.07 119.36 107.76 3mdg n ILE 74 Ca 0.01 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.49 3mdg n ILE 74 Cb 0.16 1.67 0.00 0.00 -1.74 0.00 0.00 39.64 39.73 3mdg n ILE 74 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3mdg n GLY 75 N 0.00 -1.82 3.62 3.28 0.00 -0.83 -4.94 105.19 104.50 3mdg n GLY 75 Ca 0.00 -1.69 -0.48 0.00 0.00 0.00 0.00 46.02 43.85 3mdg n GLY 75 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3mdg n MET 76 N 0.00 1.59 -2.29 1.61 0.00 -1.26 -4.23 117.12 112.53 3mdg n MET 76 Ca 0.00 0.57 -0.41 0.00 -0.00 0.00 0.00 57.70 57.85 3mdg n MET 76 Cb 0.00 -2.20 -0.03 0.00 0.00 0.00 0.00 33.22 30.99 3mdg n MET 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 3mdg s ARG 77 N 0.09 4.42 -0.22 2.12 3.52 -1.01 -4.91 118.95 122.97 3mdg s ARG 77 Ca 0.76 1.96 0.01 0.00 -0.13 0.00 0.00 55.73 58.32 3mdg s ARG 77 Cb -0.79 -3.24 0.03 0.00 -1.56 0.00 0.00 34.95 29.39 3mdg s ARG 77 CO 0.47 -0.22 -0.14 1.03 -0.81 0.00 0.00 175.30 175.63 3mdg s ARG 78 N 0.16 2.81 0.05 5.12 0.52 -1.26 -0.35 118.95 125.99 3mdg s ARG 78 Ca 0.57 -0.97 0.06 0.00 -0.52 0.00 0.00 55.73 54.87 3mdg s ARG 78 Cb -0.34 -2.77 -0.03 0.00 0.52 0.00 0.00 34.95 32.33 3mdg s ARG 78 CO 0.35 -0.34 -0.13 0.95 0.02 0.00 0.00 175.30 176.16 3mdg s THR 79 N 1.27 3.18 0.02 0.02 -4.23 -0.16 -0.74 115.64 115.01 3mdg s THR 79 Ca 0.01 -1.10 0.07 0.00 -1.18 0.00 0.00 61.69 59.49 3mdg s THR 79 Cb -0.16 -2.39 -0.02 0.00 1.34 0.00 0.00 72.50 71.27 3mdg s THR 79 CO -0.09 0.29 -0.20 0.68 -0.54 0.00 0.00 174.62 174.77 3mdg s VAL 80 N -1.02 1.60 0.03 2.29 -7.23 0.02 -0.87 120.40 115.21 3mdg s VAL 80 Ca 0.17 -1.07 0.01 0.00 -1.81 0.00 0.00 61.98 59.28 3mdg s VAL 80 Cb -0.11 -1.37 -0.02 0.00 0.56 0.00 0.00 36.38 35.44 3mdg s VAL 80 CO 0.08 0.27 -0.06 -1.61 -0.31 0.00 0.00 175.10 173.47 3mdg s GLU 81 N -0.94 0.42 -0.12 4.82 2.02 -0.27 -0.68 118.70 123.95 3mdg s GLU 81 Ca 0.07 -0.55 -0.02 0.00 0.02 0.00 0.00 54.97 54.49 3mdg s GLU 81 Cb -0.08 -0.22 -0.03 0.00 0.10 0.00 0.00 34.13 33.90 3mdg s GLU 81 CO 0.01 0.04 -0.03 0.20 0.02 0.00 0.00 175.26 175.50 3mdg s GLY 82 N -1.13 1.76 -0.34 -1.39 0.00 0.17 -1.15 107.32 105.24 3mdg s GLY 82 Ca -0.08 -0.83 -0.10 0.00 0.00 0.00 0.00 44.72 43.72 3mdg s GLY 82 CO -0.00 -0.35 0.17 0.14 0.00 0.00 0.00 173.10 173.06 3mdg s VAL 83 N -0.27 4.47 -0.16 1.40 1.01 0.12 -4.03 120.40 122.95 3mdg s VAL 83 Ca 0.05 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 3mdg s VAL 83 Cb -0.13 -3.40 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 3mdg s VAL 83 CO 0.02 -0.09 -0.03 -0.76 0.00 0.00 0.00 175.10 174.25 3mdg s LEU 84 N 1.56 3.32 -0.04 3.92 1.02 -1.26 -1.59 118.68 125.61 3mdg s LEU 84 Ca 0.03 -0.10 0.04 0.00 0.02 0.00 0.00 54.13 54.12 3mdg s LEU 84 Cb -0.18 -1.80 -0.00 0.00 0.02 0.00 0.00 46.19 44.22 3mdg s LEU 84 CO 0.06 0.18 -0.17 -0.63 0.02 0.00 0.00 176.35 175.81 3mdg s ILE 85 N 0.33 1.37 0.38 -0.59 1.01 -1.26 -0.56 121.20 121.88 3mdg s ILE 85 Ca -0.03 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 59.96 3mdg s ILE 85 Cb -0.14 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.12 3mdg s ILE 85 CO 0.03 0.40 0.13 0.68 0.00 0.00 0.00 174.94 176.18 3mdg s VAL 86 N -0.02 0.60 0.12 2.92 -7.23 -0.71 -4.65 120.40 111.43 3mdg s VAL 86 Ca -0.02 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.19 3mdg s VAL 86 Cb -0.11 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.37 3mdg s VAL 86 CO 0.02 0.00 -0.11 -1.38 -0.31 0.00 0.00 175.10 173.32 3mdg s HIS 87 N -3.29 1.21 -0.14 2.82 -3.43 -0.44 -0.20 115.29 111.82 3mdg s HIS 87 Ca 0.28 -0.68 -0.02 0.00 -0.80 0.00 0.00 55.06 53.83 3mdg s HIS 87 Cb 0.04 -0.63 0.05 0.00 -1.43 0.00 0.00 32.58 30.60 3mdg s HIS 87 CO 0.16 0.06 0.02 -2.00 -2.00 0.00 0.00 174.74 170.98 3mdg s GLU 88 N -3.18 0.64 -1.40 -0.38 2.12 -1.06 -1.39 118.70 114.06 3mdg s GLU 88 Ca 0.11 -0.19 -0.00 0.00 0.36 0.00 0.00 54.97 55.24 3mdg s GLU 88 Cb -0.01 -1.63 -0.00 0.00 0.26 0.00 0.00 34.13 32.75 3mdg s GLU 88 CO 0.01 -0.50 0.43 0.72 -0.54 0.00 0.00 175.26 175.38 3mdg n HIS 89 N 5.09 -1.66 -2.42 5.30 8.25 -1.26 -2.51 115.22 126.01 3mdg n HIS 89 Ca -0.08 0.75 -0.15 0.00 -0.26 0.00 0.00 57.72 57.98 3mdg n HIS 89 Cb 0.48 -3.79 0.00 0.00 1.12 0.00 0.00 29.99 27.81 3mdg n HIS 89 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3mdg n ARG 90 N -4.39 -1.81 -3.86 -0.41 1.74 -1.26 -5.02 116.66 101.65 3mdg n ARG 90 Ca -0.31 0.69 -0.26 0.00 -0.77 0.00 0.00 57.85 57.20 3mdg n ARG 90 Cb 0.69 -4.99 -0.17 0.00 -1.02 0.00 0.00 32.46 26.96 3mdg n ARG 90 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3mdg s LEU 91 N -4.36 1.04 0.23 0.55 0.20 -1.04 -5.08 118.68 110.21 3mdg s LEU 91 Ca 0.06 -0.27 -0.30 0.00 0.69 0.00 0.00 54.13 54.31 3mdg s LEU 91 Cb -0.03 -0.73 -0.09 0.00 -0.43 0.00 0.00 46.19 44.91 3mdg s LEU 91 CO 0.07 -0.15 1.31 -2.84 -0.29 0.00 0.00 176.35 174.45 3mdg s PRO 92 N 1.78 4.39 -0.05 0.98 0.02 -1.26 -2.55 135.00 138.31 3mdg s PRO 92 Ca 0.05 2.09 0.06 0.00 0.02 0.00 0.00 61.00 63.21 3mdg s PRO 92 Cb -0.13 -3.16 -0.01 0.00 0.02 0.00 0.00 34.50 31.22 3mdg s PRO 92 CO -0.07 -0.22 -0.22 -1.01 -0.33 0.00 0.00 177.00 175.14 3mdg s HIS 93 N -0.21 2.17 0.00 6.54 3.76 0.72 -2.91 115.29 125.36 3mdg s HIS 93 Ca 0.55 -0.62 -0.18 0.00 -0.15 0.00 0.00 55.06 54.65 3mdg s HIS 93 Cb -0.37 -1.43 -0.06 0.00 1.11 0.00 0.00 32.58 31.83 3mdg s HIS 93 CO 0.41 -0.19 0.52 0.08 -0.85 0.00 0.00 174.74 174.72 3mdg s VAL 94 N -0.12 4.93 -0.22 -0.90 1.01 0.63 -1.74 120.40 123.98 3mdg s VAL 94 Ca -0.03 1.09 -0.28 0.00 0.00 0.00 0.00 61.98 62.77 3mdg s VAL 94 Cb -0.13 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.41 3mdg s VAL 94 CO 0.03 0.48 0.98 -0.76 0.00 0.00 0.00 175.10 175.83 3mdg s LEU 95 N -0.54 4.11 -0.02 3.92 1.43 0.27 -0.66 118.68 127.19 3mdg s LEU 95 Ca 0.28 1.30 0.07 0.00 -1.03 0.00 0.00 54.13 54.74 3mdg s LEU 95 Cb -0.18 -3.44 -0.02 0.00 0.03 0.00 0.00 46.19 42.58 3mdg s LEU 95 CO 0.16 -0.61 -0.24 -0.76 0.23 0.00 0.00 176.35 175.13 3mdg s LEU 96 N 3.01 2.04 -0.13 1.79 1.43 0.04 -4.59 118.68 122.27 3mdg s LEU 96 Ca 0.42 -0.43 -0.23 0.00 -1.03 0.00 0.00 54.13 52.85 3mdg s LEU 96 Cb -0.15 -1.23 -0.03 0.00 0.03 0.00 0.00 46.19 44.81 3mdg s LEU 96 CO 0.07 0.28 0.73 -0.76 0.23 0.00 0.00 176.35 176.90 3mdg s LEU 97 N -0.48 4.24 -0.32 1.79 1.43 -0.30 -1.04 118.68 124.00 3mdg s LEU 97 Ca 0.07 1.11 -0.11 0.00 -1.03 0.00 0.00 54.13 54.17 3mdg s LEU 97 Cb -0.10 -3.09 -0.02 0.00 0.03 0.00 0.00 46.19 43.01 3mdg s LEU 97 CO -0.00 -0.24 0.20 -1.58 0.23 0.00 0.00 176.35 174.96 3mdg s GLN 98 N 1.45 3.54 -1.36 1.70 0.74 0.59 -0.72 119.66 125.60 3mdg s GLN 98 Ca 0.36 -0.60 -0.10 0.00 0.05 0.00 0.00 55.36 55.07 3mdg s GLN 98 Cb -0.17 -3.69 0.11 0.00 1.10 0.00 0.00 33.01 30.36 3mdg s GLN 98 CO 0.15 -0.37 2.10 1.28 -0.55 0.00 0.00 175.29 177.89 3mdg n LEU 99 N 5.05 6.97 -0.93 3.68 4.32 0.12 -2.42 117.00 133.79 3mdg n LEU 99 Ca -0.13 -4.50 0.12 0.00 -0.02 0.00 0.00 56.01 51.48 3mdg n LEU 99 Cb 0.50 -1.53 -0.04 0.00 -1.62 0.00 0.00 43.42 40.73 3mdg n LEU 99 CO 0.35 1.40 -0.29 0.61 -1.22 0.00 0.00 177.39 178.24 3mdg n GLY 100 N 3.15 -2.37 2.44 -0.72 0.00 -1.26 -4.49 105.19 101.93 3mdg n GLY 100 Ca 0.48 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 3mdg n GLY 100 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3mdg n THR 101 N -3.64 0.00 -0.64 2.61 5.66 -1.26 -2.57 114.28 114.44 3mdg n THR 101 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 3mdg n THR 101 Cb 0.43 -0.20 0.00 0.00 -1.55 0.00 0.00 70.33 69.01 3mdg n THR 101 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 3mdg n THR 102 N 2.00 0.00 -4.30 1.09 -2.24 -1.26 -5.00 114.28 104.57 3mdg n THR 102 Ca 0.18 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.63 3mdg n THR 102 Cb -0.00 -0.11 -0.16 0.00 -2.10 0.00 0.00 70.33 67.96 3mdg n THR 102 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3mdg s PHE 103 N -2.96 2.77 0.01 4.78 5.36 -1.06 -4.99 117.98 121.89 3mdg s PHE 103 Ca 0.00 -1.40 0.07 0.00 -0.96 0.00 0.00 56.93 54.64 3mdg s PHE 103 Cb 0.00 -1.91 -0.03 0.00 -0.34 0.00 0.00 43.02 40.75 3mdg s PHE 103 CO 0.00 -0.68 -0.22 -0.06 -1.46 0.00 0.00 175.22 172.80 3mdg s PHE 104 N 1.12 2.45 0.03 10.12 0.08 -1.26 0.15 117.98 130.67 3mdg s PHE 104 Ca 0.00 -0.34 0.00 0.00 0.12 0.00 0.00 56.93 56.72 3mdg s PHE 104 Cb -0.14 -1.48 -0.03 0.00 -0.57 0.00 0.00 43.02 40.80 3mdg s PHE 104 CO -0.07 0.12 -0.04 -1.59 -0.10 0.00 0.00 175.22 173.54 3mdg s LYS 105 N -1.01 0.44 0.43 0.44 -2.85 0.10 -4.98 119.74 112.32 3mdg s LYS 105 Ca 0.12 -0.79 -0.15 0.00 -1.00 0.00 0.00 55.97 54.14 3mdg s LYS 105 Cb -0.10 0.03 -0.08 0.00 -2.06 0.00 0.00 37.83 35.61 3mdg s LYS 105 CO 0.02 -0.04 0.87 -0.51 0.10 0.00 0.00 175.35 175.79 3mdg s LEU 106 N -1.84 3.82 0.33 2.77 1.43 -1.26 -1.14 118.68 122.79 3mdg s LEU 106 Ca -0.09 1.41 -0.29 0.00 -1.03 0.00 0.00 54.13 54.14 3mdg s LEU 106 Cb -0.06 -4.30 -0.11 0.00 0.03 0.00 0.00 46.19 41.76 3mdg s LEU 106 CO -0.03 -0.42 1.44 -2.16 0.23 0.00 0.00 176.35 175.41 3mdg s PRO 107 N -3.64 4.21 0.00 1.29 0.04 -1.26 -4.85 135.00 130.80 3mdg s PRO 107 Ca 0.56 2.42 0.00 0.00 0.04 0.00 0.00 61.00 64.03 3mdg s PRO 107 Cb -0.10 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.41 3mdg s PRO 107 CO 0.25 -0.42 0.00 0.41 0.04 0.00 0.00 177.00 177.28 3mdg n GLY 108 N 1.02 0.81 0.00 0.56 0.00 -1.26 0.47 105.19 106.79 3mdg n GLY 108 Ca 0.02 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.22 3mdg n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mdg n GLY 109 N 0.00 -0.27 3.73 -0.02 0.00 0.14 -4.99 105.19 103.78 3mdg n GLY 109 Ca 0.00 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.61 3mdg n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mdg s GLU 110 N -2.00 4.43 0.40 1.61 2.02 -1.26 -0.80 118.70 123.11 3mdg s GLU 110 Ca 0.00 0.91 -0.23 0.00 0.02 0.00 0.00 54.97 55.66 3mdg s GLU 110 Cb 0.00 -3.41 -0.09 0.00 0.10 0.00 0.00 34.13 30.73 3mdg s GLU 110 CO 0.00 0.16 1.02 -0.51 0.02 0.00 0.00 175.26 175.95 3mdg s LEU 111 N 0.44 4.10 0.91 1.80 1.43 0.09 -4.96 118.68 122.49 3mdg s LEU 111 Ca 0.37 1.95 -0.12 0.00 -1.03 0.00 0.00 54.13 55.30 3mdg s LEU 111 Cb -0.18 -4.26 0.14 0.00 0.03 0.00 0.00 46.19 41.92 3mdg s LEU 111 CO 0.19 -0.45 1.10 0.20 0.23 0.00 0.00 176.35 177.63 3mdg s ASN 112 N -1.71 3.45 0.22 2.29 0.01 -1.26 -4.76 114.94 113.18 3mdg s ASN 112 Ca 0.58 1.24 -0.30 0.00 -0.71 0.00 0.00 52.86 53.67 3mdg s ASN 112 Cb -0.19 -1.91 -0.10 0.00 0.41 0.00 0.00 41.25 39.46 3mdg s ASN 112 CO 0.24 -2.62 1.48 -2.84 -1.51 0.00 0.00 177.10 171.85 3mdg s PRO 113 N -5.07 4.25 0.00 -0.60 0.02 -1.26 -2.43 135.00 129.92 3mdg s PRO 113 Ca 0.63 2.32 0.00 0.00 0.02 0.00 0.00 61.00 63.97 3mdg s PRO 113 Cb -0.17 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.23 3mdg s PRO 113 CO 0.56 -0.48 0.00 0.41 -0.33 0.00 0.00 177.00 177.15 3mdg n GLY 114 N 2.70 1.83 3.77 0.52 0.00 -1.26 -4.99 105.19 107.75 3mdg n GLY 114 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3mdg n GLY 114 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mdg s GLU 115 N -0.07 4.33 0.35 1.61 2.12 -1.02 -4.98 118.70 121.05 3mdg s GLU 115 Ca 0.00 2.12 -0.28 0.00 0.36 0.00 0.00 54.97 57.17 3mdg s GLU 115 Cb 0.00 -3.02 -0.11 0.00 0.26 0.00 0.00 34.13 31.26 3mdg s GLU 115 CO 0.00 -0.18 1.42 0.34 -0.54 0.00 0.00 175.26 176.31 3mdg s ASP 116 N -0.62 6.51 0.09 -1.70 2.15 -1.26 -4.88 116.67 116.96 3mdg s ASP 116 Ca 0.50 2.90 -0.23 0.00 0.43 0.00 0.00 52.55 56.16 3mdg s ASP 116 Cb -0.38 -2.66 -0.14 0.00 -0.30 0.00 0.00 42.92 39.45 3mdg s ASP 116 CO 0.50 -0.74 1.74 -0.33 -0.17 0.00 0.00 175.17 176.16 3mdg h GLU 117 N 3.26 0.04 -0.16 4.34 5.08 -1.98 0.28 114.58 125.46 3mdg h GLU 117 Ca -0.50 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.76 3mdg h GLU 117 Cb 1.23 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3mdg h GLU 117 CO 0.66 0.04 -0.30 0.28 -1.00 0.00 0.00 179.01 178.68 3mdg h VAL 118 N 0.03 1.36 -0.80 3.13 2.07 -1.97 -0.95 116.25 119.12 3mdg h VAL 118 Ca 0.01 -1.55 0.01 0.00 0.82 0.00 0.00 66.70 65.99 3mdg h VAL 118 Cb 0.01 1.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 3mdg h VAL 118 CO -0.00 0.47 0.53 -0.33 0.02 0.00 0.00 177.57 178.25 3mdg h GLU 119 N 0.10 1.04 -0.39 1.57 4.39 -1.95 -0.98 114.58 118.37 3mdg h GLU 119 Ca 0.01 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 3mdg h GLU 119 Cb 0.90 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 3mdg h GLU 119 CO 0.07 0.69 0.20 0.78 -1.16 0.00 0.00 179.01 179.59 3mdg h GLY 120 N 1.07 0.59 1.71 -3.84 0.00 -0.26 -1.53 103.07 100.81 3mdg h GLY 120 Ca 0.30 -0.28 -0.12 0.00 0.00 0.00 0.00 47.33 47.23 3mdg h GLY 120 CO -0.07 0.27 -0.44 -2.00 0.00 0.00 0.00 176.54 174.30 3mdg h LEU 121 N 0.49 0.34 -0.78 3.11 5.85 -0.75 -0.82 115.31 122.75 3mdg h LEU 121 Ca 0.14 -0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 3mdg h LEU 121 Cb 0.09 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.00 3mdg h LEU 121 CO -0.02 0.74 0.05 0.11 -0.34 0.00 0.00 178.44 178.98 3mdg h LYS 122 N 0.26 0.98 0.20 1.25 1.57 -1.06 0.28 116.57 120.05 3mdg h LYS 122 Ca 0.02 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 3mdg h LYS 122 Cb 0.88 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 3mdg h LYS 122 CO 0.07 0.93 -0.18 -0.09 -0.57 0.00 0.00 179.45 179.61 3mdg h ARG 123 N 0.91 -0.39 -0.11 3.15 2.43 -0.87 -2.58 114.38 116.91 3mdg h ARG 123 Ca 0.18 0.03 -0.09 0.00 -0.81 0.00 0.00 59.98 59.28 3mdg h ARG 123 Cb 0.46 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 3mdg h ARG 123 CO 0.02 -0.26 -0.35 -0.07 -1.51 0.00 0.00 179.97 177.80 3mdg h LEU 124 N -0.40 0.22 -0.60 3.80 3.38 -1.03 -2.43 115.31 118.25 3mdg h LEU 124 Ca -0.00 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 3mdg h LEU 124 Cb 0.37 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3mdg h LEU 124 CO -0.03 0.57 -0.12 0.24 0.09 0.00 0.00 178.44 179.19 3mdg h MET 125 N 0.19 0.98 -0.42 1.13 2.86 -0.92 -2.63 114.93 116.12 3mdg h MET 125 Ca 0.02 -0.36 -0.09 0.00 -2.06 0.00 0.00 59.70 57.21 3mdg h MET 125 Cb 0.72 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 3mdg h MET 125 CO 0.05 1.04 -0.12 1.15 1.06 0.00 0.00 176.91 180.09 3mdg h THR 126 N 0.87 1.26 -0.56 2.22 2.02 -1.22 -0.60 112.91 116.89 3mdg h THR 126 Ca 0.13 -1.18 -0.11 0.00 0.77 0.00 0.00 66.41 66.03 3mdg h THR 126 Cb 0.67 1.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 3mdg h THR 126 CO 0.05 0.40 -0.07 -0.33 0.37 0.00 0.00 175.52 175.94 3mdg h GLU 127 N 0.69 1.03 0.11 6.66 5.08 -1.35 -1.40 114.58 125.39 3mdg h GLU 127 Ca 0.11 -0.37 -0.32 0.00 -1.00 0.00 0.00 59.36 57.78 3mdg h GLU 127 Cb 0.60 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3mdg h GLU 127 CO 0.04 1.06 -1.71 0.82 -1.00 0.00 0.00 179.01 178.22 3mdg h ILE 128 N 0.92 0.94 0.00 3.13 2.04 -1.37 -3.42 117.51 119.74 3mdg h ILE 128 Ca 0.15 -2.63 0.00 0.00 1.00 0.00 0.00 64.86 63.38 3mdg h ILE 128 Cb 0.64 2.64 0.00 0.00 -0.74 0.00 0.00 36.82 39.35 3mdg h ILE 128 CO 0.04 0.79 0.00 0.18 0.00 0.00 0.00 178.15 179.16 3mdg n LEU 129 N -3.41 0.05 -4.68 1.44 4.77 -0.26 -3.99 117.00 110.92 3mdg n LEU 129 Ca -0.21 -0.20 -0.45 0.00 -0.03 0.00 0.00 56.01 55.12 3mdg n LEU 129 Cb 1.05 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 42.10 3mdg n LEU 129 CO 0.48 0.01 1.25 0.61 -1.33 0.00 0.00 177.39 178.41 3mdg n GLY 130 N 0.31 1.25 3.73 -0.72 0.00 -0.53 -0.76 105.19 108.46 3mdg n GLY 130 Ca 0.00 0.64 -0.36 0.00 0.00 0.00 0.00 46.02 46.31 3mdg n GLY 130 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3mdg s ARG 131 N 0.98 2.35 -0.08 1.61 1.70 -1.26 -4.22 118.95 120.02 3mdg s ARG 131 Ca 0.78 1.93 0.20 0.00 -0.47 0.00 0.00 55.73 58.16 3mdg s ARG 131 Cb -0.63 -1.84 -0.28 0.00 -0.57 0.00 0.00 34.95 31.64 3mdg s ARG 131 CO 0.36 -1.72 0.36 1.04 -1.08 0.00 0.00 175.30 174.26 3mdg n GLN 132 N -2.28 0.67 0.00 3.89 1.13 -1.26 -4.62 117.38 114.90 3mdg n GLN 132 Ca 0.15 -0.08 0.05 0.00 -1.94 0.00 0.00 57.00 55.18 3mdg n GLN 132 Cb 0.49 -1.55 0.32 0.00 0.11 0.00 0.00 30.24 29.61 3mdg n GLN 132 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3mdg n ASP 133 N -2.51 0.00 0.00 1.08 5.75 -1.26 -4.84 116.55 114.76 3mdg n ASP 133 Ca -0.16 -0.69 0.00 0.00 -0.01 0.00 0.00 54.79 53.93 3mdg n ASP 133 Cb 0.82 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.91 3mdg n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3mdg n GLY 134 N 0.03 3.08 3.51 6.12 0.00 -1.26 -5.02 105.19 111.65 3mdg n GLY 134 Ca 0.08 -0.76 -0.48 0.00 0.00 0.00 0.00 46.02 44.86 3mdg n GLY 134 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3mdg n VAL 135 N 0.00 0.26 -2.07 1.61 0.31 -1.26 -4.86 118.33 112.32 3mdg n VAL 135 Ca 0.00 -0.32 -0.41 0.00 -0.01 0.00 0.00 64.34 63.60 3mdg n VAL 135 Cb 0.00 -1.96 -0.02 0.00 -0.91 0.00 0.00 33.84 30.95 3mdg n VAL 135 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 3mdg s LEU 136 N 7.43 4.40 -0.21 7.52 -0.00 -1.26 -4.92 118.68 131.64 3mdg s LEU 136 Ca 1.06 2.62 0.01 0.00 -0.00 0.00 0.00 54.13 57.82 3mdg s LEU 136 Cb -0.68 -3.63 0.05 0.00 -0.00 0.00 0.00 46.19 41.93 3mdg s LEU 136 CO 0.45 -0.63 -0.11 -1.58 -0.00 0.00 0.00 176.35 174.48 3mdg s GLN 137 N -0.65 2.10 0.23 1.48 0.74 -1.26 -5.11 119.66 117.19 3mdg s GLN 137 Ca 0.56 -0.94 -0.04 0.00 0.05 0.00 0.00 55.36 54.99 3mdg s GLN 137 Cb -0.40 -2.53 -0.05 0.00 1.10 0.00 0.00 33.01 31.13 3mdg s GLN 137 CO 0.45 -0.45 0.47 -0.51 -0.55 0.00 0.00 175.29 174.69 3mdg s ASP 138 N 1.34 6.44 -0.10 6.67 1.01 -1.26 -5.04 116.67 125.73 3mdg s ASP 138 Ca -0.03 0.59 0.01 0.00 0.71 0.00 0.00 52.55 53.83 3mdg s ASP 138 Cb -0.17 -2.09 -0.02 0.00 1.01 0.00 0.00 42.92 41.65 3mdg s ASP 138 CO -0.08 -0.10 -0.11 0.26 0.21 0.00 0.00 175.17 175.35 3mdg s TRP 139 N -1.93 2.83 -0.38 4.23 0.52 -1.26 -4.96 118.94 117.99 3mdg s TRP 139 Ca 0.42 -0.39 -0.16 0.00 0.02 0.00 0.00 56.10 56.00 3mdg s TRP 139 Cb -0.11 -1.79 0.00 0.00 -1.15 0.00 0.00 33.47 30.43 3mdg s TRP 139 CO 0.28 -0.02 0.36 0.08 0.02 0.00 0.00 176.95 177.68 3mdg s VAL 140 N -0.08 5.17 -0.37 4.03 1.01 -1.25 -5.03 120.40 123.88 3mdg s VAL 140 Ca -0.01 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 61.75 3mdg s VAL 140 Cb -0.14 -3.89 0.12 0.00 0.00 0.00 0.00 36.38 32.47 3mdg s VAL 140 CO 0.03 -0.22 0.16 -0.63 0.00 0.00 0.00 175.10 174.44 3mdg s ILE 141 N 1.96 1.19 -0.24 2.22 1.01 -1.26 -1.28 121.20 124.81 3mdg s ILE 141 Ca 0.10 -1.98 0.07 0.00 0.00 0.00 0.00 60.65 58.84 3mdg s ILE 141 Cb -0.17 -1.87 -0.09 0.00 0.01 0.00 0.00 42.46 40.34 3mdg s ILE 141 CO 0.12 -0.77 0.26 0.47 0.00 0.00 0.00 174.94 175.02 3mdg n ASP 142 N 4.22 1.28 -4.06 3.58 10.43 -1.26 -5.03 116.55 125.70 3mdg n ASP 142 Ca 0.03 -0.46 -0.27 0.00 2.57 0.00 0.00 54.79 56.67 3mdg n ASP 142 Cb 0.39 1.11 -0.17 0.00 1.84 0.00 0.00 41.12 44.29 3mdg n ASP 142 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 3mdg s ASP 143 N -2.06 2.20 -0.10 -2.24 1.11 -1.26 -5.06 116.67 109.27 3mdg s ASP 143 Ca 0.01 -0.38 -0.21 0.00 0.18 0.00 0.00 52.55 52.15 3mdg s ASP 143 Cb 0.05 -1.00 -0.04 0.00 1.07 0.00 0.00 42.92 43.00 3mdg s ASP 143 CO 0.30 0.05 0.58 0.00 1.18 0.00 0.00 175.17 177.28 3mdg n ILE 145 N 3.76 0.00 0.00 0.00 -5.35 -0.38 -4.91 119.36 112.48 3mdg n ILE 145 Ca -0.04 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.16 3mdg n ILE 145 Cb 0.51 0.42 0.00 0.00 -1.74 0.00 0.00 39.64 38.83 3mdg n ILE 145 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3mdg n GLY 146 N 1.62 -0.72 2.92 3.28 0.00 -1.22 -4.93 105.19 106.14 3mdg n GLY 146 Ca -0.01 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 3mdg n GLY 146 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mdg s ASN 147 N 0.00 -0.07 -0.05 1.61 0.01 -1.26 -1.68 114.94 113.50 3mdg s ASN 147 Ca 0.00 0.19 0.03 0.00 -0.71 0.00 0.00 52.86 52.37 3mdg s ASN 147 Cb 0.00 0.14 0.01 0.00 0.41 0.00 0.00 41.25 41.81 3mdg s ASN 147 CO 0.00 -0.09 -0.13 0.26 -1.51 0.00 0.00 177.10 175.63 3mdg s TRP 148 N 0.61 1.47 0.03 2.20 0.52 0.16 -4.31 118.94 119.63 3mdg s TRP 148 Ca -0.05 -0.49 0.05 0.00 0.02 0.00 0.00 56.10 55.64 3mdg s TRP 148 Cb -0.06 -1.04 -0.03 0.00 -1.15 0.00 0.00 33.47 31.18 3mdg s TRP 148 CO -0.02 -0.22 -0.10 -1.58 0.02 0.00 0.00 176.95 175.04 3mdg s TRP 149 N 0.41 2.77 -0.32 -1.98 0.51 0.81 0.11 118.94 121.25 3mdg s TRP 149 Ca -0.10 -0.12 -0.00 0.00 -2.12 0.00 0.00 56.10 53.76 3mdg s TRP 149 Cb -0.14 -1.54 0.07 0.00 -0.81 0.00 0.00 33.47 31.06 3mdg s TRP 149 CO 0.03 0.35 0.03 0.50 -0.51 0.00 0.00 176.95 177.34 3mdg s ARG 150 N -1.57 2.18 0.37 4.98 3.52 -0.69 -0.45 118.95 127.28 3mdg s ARG 150 Ca 0.17 -1.48 0.26 0.00 -0.13 0.00 0.00 55.73 54.55 3mdg s ARG 150 Cb -0.11 -3.21 0.71 0.00 -1.56 0.00 0.00 34.95 30.78 3mdg s ARG 150 CO 0.08 -0.75 1.73 -1.00 -0.81 0.00 0.00 175.30 174.56 3mdg h PRO 151 N 7.91 0.00 -4.89 5.12 0.14 -1.87 0.20 132.00 138.61 3mdg h PRO 151 Ca -0.17 0.00 -0.46 0.00 0.14 0.00 0.00 66.00 65.51 3mdg h PRO 151 Cb 1.05 0.00 -0.13 0.00 0.14 0.00 0.00 31.00 32.06 3mdg h PRO 151 CO 0.55 0.00 -0.51 -0.80 0.14 0.00 0.00 178.00 177.39 3mdg s ASN 152 N -5.42 1.68 -0.11 1.44 -0.87 -1.26 -4.12 114.94 106.27 3mdg s ASN 152 Ca 0.07 -1.72 -0.04 0.00 -1.57 0.00 0.00 52.86 49.61 3mdg s ASN 152 Cb 0.08 0.54 -0.09 0.00 -0.02 0.00 0.00 41.25 41.76 3mdg s ASN 152 CO 0.60 -1.03 2.88 0.49 -2.57 0.00 0.00 177.10 177.47 3mdg n PHE 153 N -0.63 0.45 -4.31 2.20 3.72 -1.26 -4.74 117.46 112.88 3mdg n PHE 153 Ca 0.05 -1.50 -0.17 0.00 -0.05 0.00 0.00 57.45 55.79 3mdg n PHE 153 Cb 0.63 -1.21 -0.10 0.00 -0.94 0.00 0.00 39.48 37.86 3mdg n PHE 153 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 3mdg s GLU 154 N -0.04 1.24 0.37 -1.08 2.02 -1.26 -4.96 118.70 115.00 3mdg s GLU 154 Ca 0.44 -1.55 0.13 0.00 0.02 0.00 0.00 54.97 54.01 3mdg s GLU 154 Cb 0.24 -0.91 0.94 0.00 0.10 0.00 0.00 34.13 34.50 3mdg s GLU 154 CO -0.04 0.12 1.83 -1.35 0.02 0.00 0.00 175.26 175.84 3mdg h PRO 155 N 2.62 0.54 -6.41 0.39 0.11 -2.03 -3.45 132.00 123.77 3mdg h PRO 155 Ca -0.38 -0.03 -0.62 0.00 0.11 0.00 0.00 66.00 65.09 3mdg h PRO 155 Cb 1.21 -0.12 0.05 0.00 0.11 0.00 0.00 31.00 32.25 3mdg h PRO 155 CO 0.63 0.36 0.76 -2.30 -0.21 0.00 0.00 178.00 177.24 3mdg n PRO 156 N -4.59 1.88 -4.26 1.05 -0.02 -1.26 -5.03 135.00 122.76 3mdg n PRO 156 Ca 0.20 0.68 -0.19 0.00 -2.02 0.00 0.00 63.50 62.17 3mdg n PRO 156 Cb 0.64 -2.42 -0.11 0.00 -0.02 0.00 0.00 33.50 31.58 3mdg n PRO 156 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3mdg s GLN 157 N 1.32 1.07 0.02 -0.52 -0.21 -1.26 -4.28 119.66 115.80 3mdg s GLN 157 Ca 0.83 -1.26 0.00 0.00 0.02 0.00 0.00 55.36 54.95 3mdg s GLN 157 Cb -0.76 -1.01 -0.02 0.00 1.00 0.00 0.00 33.01 32.22 3mdg s GLN 157 CO 0.43 0.20 -0.03 0.71 -2.12 0.00 0.00 175.29 174.47 3mdg s TYR 158 N -2.06 0.28 -0.97 0.91 2.02 0.40 -4.94 117.35 112.99 3mdg s TYR 158 Ca 0.10 -0.49 0.00 0.00 -0.37 0.00 0.00 57.07 56.31 3mdg s TYR 158 Cb -0.05 -0.20 0.01 0.00 -0.40 0.00 0.00 41.96 41.32 3mdg s TYR 158 CO 0.04 -0.17 0.52 -0.35 -1.57 0.00 0.00 175.55 174.02 3mdg n PRO 159 N 1.69 1.03 -3.73 -1.71 -0.04 -1.26 -0.14 135.00 130.84 3mdg n PRO 159 Ca -0.23 -0.03 -0.10 0.00 -0.04 0.00 0.00 63.50 63.11 3mdg n PRO 159 Cb 0.55 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.48 3mdg n PRO 159 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3mdg s TYR 160 N -0.99 -0.11 -0.37 0.54 1.13 -1.26 -4.85 117.35 111.45 3mdg s TYR 160 Ca 0.00 -0.23 -0.24 0.00 -1.41 0.00 0.00 57.07 55.19 3mdg s TYR 160 Cb 0.00 0.36 0.01 0.00 -1.10 0.00 0.00 41.96 41.24 3mdg s TYR 160 CO 0.00 -0.89 0.85 0.42 -2.51 0.00 0.00 175.55 173.42 3mdg s ILE 161 N -3.87 4.66 0.80 -3.49 1.01 -1.26 -4.51 121.20 114.55 3mdg s ILE 161 Ca 0.09 1.02 -0.13 0.00 0.00 0.00 0.00 60.65 61.63 3mdg s ILE 161 Cb -0.01 -4.27 0.08 0.00 0.01 0.00 0.00 42.46 38.28 3mdg s ILE 161 CO -0.04 -0.48 1.17 -2.84 0.00 0.00 0.00 174.94 172.75 3mdg s PRO 162 N 3.27 1.75 0.27 2.79 0.02 -1.26 -4.89 135.00 136.95 3mdg s PRO 162 Ca 0.34 1.60 -0.30 0.00 0.02 0.00 0.00 61.00 62.67 3mdg s PRO 162 Cb -0.13 -1.80 -0.14 0.00 0.02 0.00 0.00 34.50 32.45 3mdg s PRO 162 CO 0.18 -2.10 1.23 0.00 -0.33 0.00 0.00 177.00 175.98 3mdg n ALA 163 N -3.38 0.52 -0.84 -1.55 0.00 -1.26 -2.05 120.51 111.95 3mdg n ALA 163 Ca 0.12 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3mdg n ALA 163 Cb 0.51 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.80 3mdg n ALA 163 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3mdg n HIS 164 N 0.98 0.00 -2.92 0.00 8.25 -1.26 -4.96 115.22 115.31 3mdg n HIS 164 Ca 0.10 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.13 3mdg n HIS 164 Cb 0.32 -0.82 -0.05 0.00 1.12 0.00 0.00 29.99 30.56 3mdg n HIS 164 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3mdg s ILE 165 N -2.17 4.58 -0.03 1.59 -1.09 -0.87 -4.86 121.20 118.35 3mdg s ILE 165 Ca 0.00 0.50 0.16 0.00 -2.23 0.00 0.00 60.65 59.08 3mdg s ILE 165 Cb 0.00 -4.37 -0.25 0.00 -1.58 0.00 0.00 42.46 36.27 3mdg s ILE 165 CO 0.00 -0.78 0.33 0.35 -1.23 0.00 0.00 174.94 173.61 3mdg n THR 166 N 6.22 0.08 -3.47 2.92 -2.24 -1.26 -4.71 114.28 111.82 3mdg n THR 166 Ca 0.03 -0.39 -0.26 0.00 -2.27 0.00 0.00 64.05 61.16 3mdg n THR 166 Cb 0.48 0.07 -0.09 0.00 -2.10 0.00 0.00 70.33 68.69 3mdg n THR 166 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3mdg n LYS 167 N -2.10 1.41 -1.72 -0.78 4.76 -1.26 -5.11 118.16 113.36 3mdg n LYS 167 Ca -0.05 -3.95 -0.40 0.00 -2.87 0.00 0.00 58.31 51.05 3mdg n LYS 167 Cb 0.47 -1.88 0.03 0.00 -1.84 0.00 0.00 35.03 31.81 3mdg n LYS 167 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3mdg n PRO 168 N 1.68 1.78 0.14 1.97 -0.02 -1.26 -4.92 135.00 134.37 3mdg n PRO 168 Ca 0.25 0.65 0.11 0.00 -2.02 0.00 0.00 63.50 62.48 3mdg n PRO 168 Cb 0.44 -2.47 0.05 0.00 -0.02 0.00 0.00 33.50 31.50 3mdg n PRO 168 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3mdg h LYS 169 N 1.71 0.00 -3.04 -0.52 1.79 -0.76 -3.44 116.57 112.31 3mdg h LYS 169 Ca -0.49 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 57.85 3mdg h LYS 169 Cb 1.30 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.75 3mdg h LYS 169 CO 0.58 0.04 -0.29 -2.00 -1.08 0.00 0.00 179.45 176.70 3mdg s GLU 170 N -3.28 0.63 -0.11 3.15 2.12 -1.09 -2.42 118.70 117.71 3mdg s GLU 170 Ca 0.02 -0.13 -0.00 0.00 0.36 0.00 0.00 54.97 55.22 3mdg s GLU 170 Cb 0.08 0.28 0.02 0.00 0.26 0.00 0.00 34.13 34.78 3mdg s GLU 170 CO 0.75 -0.17 -0.08 -1.58 -0.54 0.00 0.00 175.26 173.65 3mdg s HIS 171 N -1.17 1.46 -0.13 5.30 5.65 0.53 -1.71 115.29 125.22 3mdg s HIS 171 Ca -0.12 -0.71 -0.01 0.00 0.25 0.00 0.00 55.06 54.46 3mdg s HIS 171 Cb -0.05 -1.21 -0.02 0.00 -1.18 0.00 0.00 32.58 30.12 3mdg s HIS 171 CO 0.04 -0.49 -0.11 0.21 -0.65 0.00 0.00 174.74 173.74 3mdg s LYS 172 N 1.65 3.43 -0.10 2.88 2.20 0.12 -0.98 119.74 128.93 3mdg s LYS 172 Ca 0.04 -0.64 0.03 0.00 -0.36 0.00 0.00 55.97 55.04 3mdg s LYS 172 Cb -0.13 -2.70 -0.01 0.00 -1.51 0.00 0.00 37.83 33.49 3mdg s LYS 172 CO -0.07 0.24 -0.22 0.21 -0.36 0.00 0.00 175.35 175.15 3mdg s LYS 173 N 0.30 3.03 -0.11 4.03 2.20 -0.05 -0.66 119.74 128.48 3mdg s LYS 173 Ca -0.08 -0.84 -0.05 0.00 -0.36 0.00 0.00 55.97 54.64 3mdg s LYS 173 Cb -0.15 -2.35 -0.04 0.00 -1.51 0.00 0.00 37.83 33.78 3mdg s LYS 173 CO 0.05 0.23 0.07 -0.51 -0.36 0.00 0.00 175.35 174.82 3mdg s LEU 174 N 0.24 3.96 0.02 5.43 1.02 -0.67 -1.12 118.68 127.56 3mdg s LEU 174 Ca -0.14 0.28 0.05 0.00 0.02 0.00 0.00 54.13 54.34 3mdg s LEU 174 Cb -0.17 -1.94 -0.02 0.00 0.02 0.00 0.00 46.19 44.08 3mdg s LEU 174 CO 0.07 0.37 -0.14 -0.36 0.02 0.00 0.00 176.35 176.32 3mdg s PHE 175 N -0.83 1.25 -0.21 0.29 0.08 -0.30 -1.24 117.98 117.01 3mdg s PHE 175 Ca 0.13 -0.31 -0.26 0.00 0.12 0.00 0.00 56.93 56.61 3mdg s PHE 175 Cb -0.12 -0.77 -0.01 0.00 -0.57 0.00 0.00 43.02 41.56 3mdg s PHE 175 CO 0.03 0.02 0.88 -1.17 -0.10 0.00 0.00 175.22 174.88 3mdg s LEU 176 N -0.84 4.12 -0.34 -0.37 2.96 -0.20 -0.70 118.68 123.31 3mdg s LEU 176 Ca 0.03 1.18 -0.12 0.00 -0.22 0.00 0.00 54.13 55.00 3mdg s LEU 176 Cb -0.07 -3.30 -0.00 0.00 0.50 0.00 0.00 46.19 43.32 3mdg s LEU 176 CO 0.01 -0.51 0.21 -0.69 -1.32 0.00 0.00 176.35 174.05 3mdg s VAL 177 N 2.66 4.93 -0.11 1.68 1.01 -0.62 -4.11 120.40 125.85 3mdg s VAL 177 Ca 0.39 -0.43 -0.27 0.00 0.00 0.00 0.00 61.98 61.67 3mdg s VAL 177 Cb -0.16 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 3mdg s VAL 177 CO 0.09 -0.05 0.88 -1.10 0.00 0.00 0.00 175.10 174.93 3mdg s GLN 178 N 1.65 4.40 0.20 2.72 -0.21 -0.40 -4.41 119.66 123.62 3mdg s GLN 178 Ca 0.05 1.16 -0.06 0.00 0.02 0.00 0.00 55.36 56.53 3mdg s GLN 178 Cb -0.18 -3.52 -0.06 0.00 1.00 0.00 0.00 33.01 30.25 3mdg s GLN 178 CO 0.08 -0.21 0.47 -0.51 -2.12 0.00 0.00 175.29 173.01 3mdg s LEU 179 N 1.69 4.19 0.81 2.90 1.43 -1.26 -3.84 118.68 124.59 3mdg s LEU 179 Ca 0.43 0.72 -0.12 0.00 -1.03 0.00 0.00 54.13 54.14 3mdg s LEU 179 Cb -0.18 -3.48 0.08 0.00 0.03 0.00 0.00 46.19 42.64 3mdg s LEU 179 CO 0.17 -0.04 1.14 -1.10 0.23 0.00 0.00 176.35 176.75 3mdg s GLN 180 N -2.91 2.01 0.44 1.70 -1.52 -1.26 -4.94 119.66 113.18 3mdg s GLN 180 Ca 0.44 0.30 0.11 0.00 -1.95 0.00 0.00 55.36 54.25 3mdg s GLN 180 Cb -0.11 -1.94 1.00 0.00 -0.22 0.00 0.00 33.01 31.73 3mdg s GLN 180 CO 0.24 -1.60 2.07 1.49 -0.25 0.00 0.00 175.29 177.25 3mdg h GLU 181 N -1.06 0.37 -4.22 2.91 4.81 -1.98 -3.42 114.58 112.00 3mdg h GLU 181 Ca -0.47 -0.02 -0.20 0.00 -0.13 0.00 0.00 59.36 58.54 3mdg h GLU 181 Cb 1.30 -0.08 -0.20 0.00 0.63 0.00 0.00 28.75 30.40 3mdg h GLU 181 CO 0.64 0.25 -0.71 0.15 -0.73 0.00 0.00 179.01 178.60 3mdg s LYS 182 N -5.36 0.42 -0.13 1.92 3.01 -1.26 -4.82 119.74 113.52 3mdg s LYS 182 Ca -0.07 -0.72 -0.30 0.00 -1.01 0.00 0.00 55.97 53.86 3mdg s LYS 182 Cb 0.18 -0.03 0.12 0.00 -1.01 0.00 0.00 37.83 37.09 3mdg s LYS 182 CO 0.72 -0.02 0.97 0.00 0.51 0.00 0.00 175.35 177.52 3mdg s ALA 183 N -1.67 -1.91 -0.13 5.17 0.00 -1.26 -5.06 121.76 116.90 3mdg s ALA 183 Ca -0.12 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.32 3mdg s ALA 183 Cb -0.08 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 3mdg s ALA 183 CO -0.01 -0.38 -0.14 -1.17 0.00 0.00 0.00 175.76 174.06 3mdg s LEU 184 N -1.38 2.68 0.02 0.00 0.20 -1.26 -1.93 118.68 117.01 3mdg s LEU 184 Ca -0.01 -0.34 0.07 0.00 0.69 0.00 0.00 54.13 54.54 3mdg s LEU 184 Cb -0.01 -1.60 -0.03 0.00 -0.43 0.00 0.00 46.19 44.13 3mdg s LEU 184 CO 0.00 0.16 -0.21 -0.36 -0.29 0.00 0.00 176.35 175.65 3mdg s PHE 185 N 0.37 2.48 -0.22 5.38 0.08 0.01 -4.10 117.98 121.97 3mdg s PHE 185 Ca -0.11 -0.32 -0.03 0.00 0.12 0.00 0.00 56.93 56.59 3mdg s PHE 185 Cb -0.16 -1.48 0.00 0.00 -0.57 0.00 0.00 43.02 40.81 3mdg s PHE 185 CO 0.06 0.15 -0.06 0.00 -0.10 0.00 0.00 175.22 175.27 3mdg s ALA 186 N -0.80 2.74 -0.21 5.36 0.00 0.06 -0.72 121.76 128.18 3mdg s ALA 186 Ca 0.12 -1.25 -0.14 0.00 0.00 0.00 0.00 51.96 50.69 3mdg s ALA 186 Cb -0.10 -1.66 -0.04 0.00 0.00 0.00 0.00 23.12 21.32 3mdg s ALA 186 CO 0.02 -0.52 0.32 0.08 0.00 0.00 0.00 175.76 175.66 3mdg s VAL 187 N 1.42 5.25 0.32 0.00 1.01 -0.21 -3.94 120.40 124.24 3mdg s VAL 187 Ca 0.04 0.54 -0.29 0.00 0.00 0.00 0.00 61.98 62.28 3mdg s VAL 187 Cb -0.15 -3.66 -0.13 0.00 0.00 0.00 0.00 36.38 32.45 3mdg s VAL 187 CO -0.05 0.28 1.30 -2.65 0.00 0.00 0.00 175.10 173.99 3mdg n PRO 188 N 4.39 2.07 -0.32 2.72 -0.02 -1.26 -1.21 135.00 141.38 3mdg n PRO 188 Ca -0.10 0.73 0.16 0.00 -2.02 0.00 0.00 63.50 62.26 3mdg n PRO 188 Cb 0.51 -2.31 0.35 0.00 -0.02 0.00 0.00 33.50 32.03 3mdg n PRO 188 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3mdg h LYS 189 N 2.88 0.42 0.00 -0.52 3.64 -0.52 -0.38 116.57 122.09 3mdg h LYS 189 Ca -0.45 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3mdg h LYS 189 Cb 1.28 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3mdg h LYS 189 CO 0.65 0.28 0.00 0.27 -2.27 0.00 0.00 179.45 178.38 3mdg n ASN 190 N -5.01 0.00 -4.44 4.20 6.94 -1.26 -4.76 115.26 110.93 3mdg n ASN 190 Ca 0.24 -0.41 -0.28 0.00 -0.02 0.00 0.00 54.58 54.12 3mdg n ASN 190 Cb 0.72 -0.05 -0.12 0.00 -2.36 0.00 0.00 39.78 37.97 3mdg n ASN 190 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 3mdg s TYR 191 N -2.10 2.37 -0.03 -2.53 1.51 -0.15 -4.43 117.35 112.00 3mdg s TYR 191 Ca 0.23 -0.34 0.03 0.00 -1.01 0.00 0.00 57.07 55.98 3mdg s TYR 191 Cb 0.11 -1.21 -0.03 0.00 -0.11 0.00 0.00 41.96 40.72 3mdg s TYR 191 CO 0.20 0.44 -0.11 0.15 -1.11 0.00 0.00 175.55 175.12 3mdg s LYS 192 N -2.45 2.53 -0.16 -0.62 1.02 -1.02 -4.80 119.74 114.25 3mdg s LYS 192 Ca 0.19 -0.70 -0.11 0.00 0.02 0.00 0.00 55.97 55.38 3mdg s LYS 192 Cb -0.09 -2.45 -0.05 0.00 -0.52 0.00 0.00 37.83 34.73 3mdg s LYS 192 CO 0.09 0.62 0.19 -1.17 -0.92 0.00 0.00 175.35 174.16 3mdg s LEU 193 N -1.04 4.28 0.15 3.17 2.96 -1.26 -0.30 118.68 126.65 3mdg s LEU 193 Ca 0.14 0.41 0.08 0.00 -0.22 0.00 0.00 54.13 54.54 3mdg s LEU 193 Cb -0.11 -2.19 -0.04 0.00 0.50 0.00 0.00 46.19 44.35 3mdg s LEU 193 CO 0.03 0.23 -0.17 0.68 -1.32 0.00 0.00 176.35 175.80 3mdg s VAL 194 N -0.07 1.71 -0.36 1.68 -7.23 -0.21 -4.97 120.40 110.95 3mdg s VAL 194 Ca 0.13 -1.86 -0.10 0.00 -1.81 0.00 0.00 61.98 58.34 3mdg s VAL 194 Cb -0.12 -1.77 0.03 0.00 0.56 0.00 0.00 36.38 35.08 3mdg s VAL 194 CO 0.02 -0.33 0.18 0.00 -0.31 0.00 0.00 175.10 174.66 3mdg s ALA 195 N -2.04 3.22 -0.25 1.32 0.00 -1.26 -0.78 121.76 121.97 3mdg s ALA 195 Ca 0.14 -1.71 -0.16 0.00 0.00 0.00 0.00 51.96 50.24 3mdg s ALA 195 Cb -0.06 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.52 3mdg s ALA 195 CO 0.06 -1.35 0.41 0.00 0.00 0.00 0.00 175.76 174.88 3mdg s ALA 196 N 1.52 3.57 0.81 0.00 0.00 0.17 -4.84 121.76 122.99 3mdg s ALA 196 Ca 0.01 -0.72 -0.10 0.00 0.00 0.00 0.00 51.96 51.15 3mdg s ALA 196 Cb -0.19 -2.73 0.08 0.00 0.00 0.00 0.00 23.12 20.28 3mdg s ALA 196 CO 0.06 -0.61 1.11 -1.25 0.00 0.00 0.00 175.76 175.07 3mdg s PRO 197 N 1.97 1.89 0.26 0.00 0.04 -1.26 -0.27 135.00 137.63 3mdg s PRO 197 Ca 0.17 1.29 -0.01 0.00 0.04 0.00 0.00 61.00 62.49 3mdg s PRO 197 Cb -0.16 -1.85 0.35 0.00 0.04 0.00 0.00 34.50 32.88 3mdg s PRO 197 CO 0.09 -1.94 1.74 -0.07 0.04 0.00 0.00 177.00 176.87 3mdg h LEU 198 N -1.33 0.70 -2.12 -3.56 3.38 -1.91 -2.36 115.31 108.11 3mdg h LEU 198 Ca -0.43 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.33 3mdg h LEU 198 Cb 1.24 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 3mdg h LEU 198 CO 0.48 0.81 -0.07 2.19 0.09 0.00 0.00 178.44 181.94 3mdg h PHE 199 N 0.66 0.00 -0.05 1.13 -0.00 -1.92 0.96 116.94 117.72 3mdg h PHE 199 Ca 0.12 0.00 -0.23 0.00 -0.00 0.00 0.00 57.97 57.86 3mdg h PHE 199 Cb 0.51 0.00 0.01 0.00 -0.00 0.00 0.00 35.95 36.47 3mdg h PHE 199 CO 0.02 0.07 -0.90 1.49 -0.00 0.00 0.00 178.31 179.00 3mdg h GLU 200 N 0.00 0.60 0.12 6.09 4.57 -1.80 -3.30 114.58 120.87 3mdg h GLU 200 Ca -0.00 -0.57 -0.28 0.00 -1.18 0.00 0.00 59.36 57.32 3mdg h GLU 200 Cb 0.24 0.15 0.02 0.00 -0.16 0.00 0.00 28.75 28.99 3mdg h GLU 200 CO 0.01 1.19 -1.22 -0.07 -1.18 0.00 0.00 179.01 177.74 3mdg h LEU 201 N 0.37 0.64 -9.71 1.64 3.38 -1.25 -3.44 115.31 106.94 3mdg h LEU 201 Ca -0.08 -0.62 -0.55 0.00 0.09 0.00 0.00 57.88 56.71 3mdg h LEU 201 Cb 1.53 -0.20 0.08 0.00 0.09 0.00 0.00 40.66 42.16 3mdg h LEU 201 CO 0.17 1.46 0.77 0.00 0.09 0.00 0.00 178.44 180.92 3mdg n TYR 202 N -3.68 2.56 -3.77 1.13 9.36 0.28 -1.87 117.16 121.18 3mdg n TYR 202 Ca -0.11 0.33 -0.29 0.00 3.32 0.00 0.00 57.90 61.15 3mdg n TYR 202 Cb 0.99 -2.54 -0.02 0.00 -0.63 0.00 0.00 39.34 37.14 3mdg n TYR 202 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 3mdg n ASP 203 N 2.16 -3.40 -2.63 2.98 2.03 -1.26 -4.87 116.55 111.57 3mdg n ASP 203 Ca 0.10 -0.67 -0.17 0.00 0.52 0.00 0.00 54.79 54.57 3mdg n ASP 203 Cb 0.35 -2.80 0.01 0.00 -0.72 0.00 0.00 41.12 37.95 3mdg n ASP 203 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3mdg n ASN 204 N -2.43 2.80 0.05 1.67 5.15 -0.78 -4.85 115.26 116.86 3mdg n ASN 204 Ca 0.04 -3.16 0.03 0.00 -0.60 0.00 0.00 54.58 50.89 3mdg n ASN 204 Cb 0.51 -0.51 0.41 0.00 -0.53 0.00 0.00 39.78 39.67 3mdg n ASN 204 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3mdg h ALA 205 N 2.84 1.63 0.00 5.20 0.00 -1.80 -1.50 119.26 125.63 3mdg h ALA 205 Ca 0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3mdg h ALA 205 Cb 1.04 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3mdg h ALA 205 CO 0.65 0.29 -0.07 -1.35 0.00 0.00 0.00 179.25 178.77 3mdg h PRO 206 N 0.43 0.00 0.04 0.00 0.11 -1.88 0.20 132.00 130.90 3mdg h PRO 206 Ca 0.11 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.90 3mdg h PRO 206 Cb 0.10 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.17 3mdg h PRO 206 CO -0.01 0.07 -1.85 0.41 -0.21 0.00 0.00 178.00 176.40 3mdg n GLY 207 N -0.93 -0.84 0.00 -0.55 0.00 -0.84 -4.74 105.19 97.29 3mdg n GLY 207 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3mdg n GLY 207 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3mdg n TYR 208 N -3.17 0.00 0.00 1.61 4.01 -0.63 -4.88 117.16 114.10 3mdg n TYR 208 Ca -0.23 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.51 3mdg n TYR 208 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.09 3mdg n TYR 208 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mdg n GLY 209 N 0.30 -0.69 0.20 2.72 0.00 0.68 -4.18 105.19 104.21 3mdg n GLY 209 Ca 0.00 -1.71 -0.03 0.00 0.00 0.00 0.00 46.02 44.29 3mdg n GLY 209 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3mdg h PRO 210 N 0.00 0.29 0.08 1.61 0.11 -1.94 -2.64 132.00 129.51 3mdg h PRO 210 Ca 0.00 -0.14 -0.00 0.00 0.11 0.00 0.00 66.00 65.97 3mdg h PRO 210 Cb 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3mdg h PRO 210 CO 0.00 0.65 -0.04 0.82 -0.21 0.00 0.00 178.00 179.23 3mdg h ILE 211 N 0.25 0.51 -0.75 4.15 2.04 -1.98 -3.13 117.51 118.60 3mdg h ILE 211 Ca 0.02 -1.25 -0.01 0.00 1.00 0.00 0.00 64.86 64.62 3mdg h ILE 211 Cb 0.82 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 3mdg h ILE 211 CO 0.07 0.16 0.44 0.40 0.00 0.00 0.00 178.15 179.22 3mdg h ILE 212 N -1.00 1.22 0.00 -0.67 2.04 -1.73 -2.85 117.51 114.52 3mdg h ILE 212 Ca -0.01 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.36 3mdg h ILE 212 Cb 0.34 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 3mdg h ILE 212 CO 0.02 0.23 0.00 -1.54 0.00 0.00 0.00 178.15 176.86 3mdg n SER 213 N -4.49 0.45 -1.25 1.72 3.41 -0.99 -1.53 113.62 110.93 3mdg n SER 213 Ca 0.07 0.59 0.09 0.00 -0.26 0.00 0.00 58.87 59.36 3mdg n SER 213 Cb 0.07 -0.69 0.29 0.00 -0.26 0.00 0.00 64.21 63.62 3mdg n SER 213 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3mdg n SER 214 N -1.97 3.65 -0.17 4.04 3.41 -1.08 -4.05 113.62 117.45 3mdg n SER 214 Ca 0.04 -2.13 -0.08 0.00 -0.26 0.00 0.00 58.87 56.44 3mdg n SER 214 Cb 0.27 -0.46 0.01 0.00 -0.26 0.00 0.00 64.21 63.77 3mdg n SER 214 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3mdg h LEU 215 N 3.65 0.65 -0.58 1.04 3.38 -1.31 -2.01 115.31 120.13 3mdg h LEU 215 Ca 0.00 -0.12 0.12 0.00 0.09 0.00 0.00 57.88 57.96 3mdg h LEU 215 Cb 0.99 -0.17 -0.11 0.00 0.09 0.00 0.00 40.66 41.46 3mdg h LEU 215 CO 0.07 0.59 -0.19 -0.65 0.09 0.00 0.00 178.44 178.35 3mdg h PRO 216 N 0.66 -0.04 -0.72 1.13 0.11 -1.80 0.30 132.00 131.63 3mdg h PRO 216 Ca 0.17 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.35 3mdg h PRO 216 Cb 0.11 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 31.17 3mdg h PRO 216 CO -0.02 -0.03 0.41 1.96 -0.21 0.00 0.00 178.00 180.11 3mdg h GLN 217 N -0.04 0.73 0.00 1.05 7.50 -1.84 -1.79 115.11 120.71 3mdg h GLN 217 Ca 0.27 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.38 3mdg h GLN 217 Cb 0.46 -0.16 0.00 0.00 0.05 0.00 0.00 27.48 27.83 3mdg h GLN 217 CO -0.62 0.48 0.00 -0.07 -1.50 0.00 0.00 178.83 177.12 3mdg h LEU 218 N 0.75 0.00 0.00 1.46 3.38 -0.12 -2.98 115.31 117.80 3mdg h LEU 218 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3mdg h LEU 218 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3mdg h LEU 218 CO -0.19 0.00 -0.99 0.18 0.09 0.00 0.00 178.44 177.52 3mdg n LEU 219 N -2.83 0.88 0.25 1.67 4.77 0.80 -4.54 117.00 118.00 3mdg n LEU 219 Ca 0.02 -0.40 0.12 0.00 -0.03 0.00 0.00 56.01 55.72 3mdg n LEU 219 Cb 0.33 -0.03 0.67 0.00 -2.33 0.00 0.00 43.42 42.06 3mdg n LEU 219 CO 0.27 0.21 0.94 0.77 -1.33 0.00 0.00 177.39 178.25 3mdg h SER 220 N 0.00 0.00 1.25 -1.43 4.64 -1.18 -2.21 113.55 114.63 3mdg h SER 220 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mdg h SER 220 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3mdg h SER 220 CO 0.00 0.15 0.00 0.08 -0.87 0.00 0.00 176.83 176.19 3mdg h ARG 221 N 0.00 0.00 -6.69 4.77 0.11 -1.80 -3.45 114.38 107.32 3mdg h ARG 221 Ca -0.00 0.00 -0.51 0.00 0.10 0.00 0.00 59.98 59.57 3mdg h ARG 221 Cb 0.40 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.47 3mdg h ARG 221 CO 0.02 0.00 0.44 -0.06 0.10 0.00 0.00 179.97 180.46 3mdg s PHE 222 N -3.54 3.70 -0.72 4.08 0.08 -0.83 -4.58 117.98 116.16 3mdg s PHE 222 Ca 0.03 1.71 -0.21 0.00 0.12 0.00 0.00 56.93 58.57 3mdg s PHE 222 Cb 0.08 -3.19 0.09 0.00 -0.57 0.00 0.00 43.02 39.43 3mdg s PHE 222 CO 0.57 -0.27 0.99 1.21 -0.10 0.00 0.00 175.22 177.62 3mdg s ASN 223 N -0.47 6.28 0.11 1.36 3.04 -0.24 -4.99 114.94 120.03 3mdg s ASN 223 Ca 0.46 -1.27 -0.27 0.00 0.04 0.00 0.00 52.86 51.82 3mdg s ASN 223 Cb -0.28 -2.41 -0.06 0.00 -1.54 0.00 0.00 41.25 36.95 3mdg s ASN 223 CO 0.35 -1.33 0.84 -0.36 -3.04 0.00 0.00 177.10 173.56 3mdg s PHE 224 N 3.67 3.82 -0.28 0.43 0.08 -1.26 -1.70 117.98 122.74 3mdg s PHE 224 Ca 0.24 1.65 -0.08 0.00 0.12 0.00 0.00 56.93 58.87 3mdg s PHE 224 Cb -0.14 -2.89 -0.01 0.00 -0.57 0.00 0.00 43.02 39.40 3mdg s PHE 224 CO 0.05 0.33 0.09 0.42 -0.10 0.00 0.00 175.22 176.01 3mdg s ILE 225 N -0.40 4.24 -1.03 0.64 -1.09 0.47 -4.94 121.20 119.09 3mdg s ILE 225 Ca 0.41 -0.39 -0.22 0.00 -2.23 0.00 0.00 60.65 58.21 3mdg s ILE 225 Cb -0.22 -3.08 0.07 0.00 -1.58 0.00 0.00 42.46 37.64 3mdg s ILE 225 CO 0.27 0.20 1.42 -0.31 -1.23 0.00 0.00 174.94 175.29 3mdg s TYR 226 N 1.58 2.68 0.00 3.97 2.02 -1.26 0.14 117.35 126.47 3mdg s TYR 226 Ca 0.05 -1.03 0.00 0.00 -0.37 0.00 0.00 57.07 55.72 3mdg s TYR 226 Cb -0.16 -4.62 0.00 0.00 -0.40 0.00 0.00 41.96 36.78 3mdg s TYR 226 CO 0.04 -1.84 0.00 0.09 -1.57 0.00 0.00 175.55 172.27