#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mgk n LEU 1 N 0.00 0.00 0.03 -3.43 4.77 -1.26 -5.01 117.00 112.10 3mgk n LEU 1 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 3mgk n LEU 1 Cb 0.00 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 3mgk n LEU 1 CO 0.00 -0.47 0.34 0.28 -1.33 0.00 0.00 177.39 176.21 3mgk h SER 2 N 0.00 0.61 -3.81 -1.43 0.02 -1.85 -3.46 113.55 103.63 3mgk h SER 2 Ca 0.00 -0.39 -0.29 0.00 -0.84 0.00 0.00 61.79 60.27 3mgk h SER 2 Cb 0.00 -0.18 -0.29 0.00 0.14 0.00 0.00 62.40 62.07 3mgk h SER 2 CO 0.00 1.15 -0.74 -0.31 -1.14 0.00 0.00 176.83 175.79 3mgk s TYR 3 N -3.68 0.27 -0.20 3.45 2.02 -1.15 -3.48 117.35 114.58 3mgk s TYR 3 Ca -0.07 -0.05 -0.03 0.00 -0.37 0.00 0.00 57.07 56.56 3mgk s TYR 3 Cb 0.10 -0.18 -0.01 0.00 -0.40 0.00 0.00 41.96 41.47 3mgk s TYR 3 CO 0.86 -0.01 -0.08 0.50 -1.57 0.00 0.00 175.55 175.25 3mgk s ARG 4 N -0.02 3.33 -0.35 -0.62 3.52 -0.07 -0.35 118.95 124.40 3mgk s ARG 4 Ca 0.01 -0.66 -0.17 0.00 -0.13 0.00 0.00 55.73 54.78 3mgk s ARG 4 Cb -0.02 -2.89 -0.01 0.00 -1.56 0.00 0.00 34.95 30.48 3mgk s ARG 4 CO -0.00 -0.13 0.45 0.42 -0.81 0.00 0.00 175.30 175.23 3mgk s ILE 5 N 1.25 5.08 -0.68 4.11 1.01 0.92 -0.33 121.20 132.57 3mgk s ILE 5 Ca 0.03 0.20 -0.19 0.00 0.00 0.00 0.00 60.65 60.69 3mgk s ILE 5 Cb -0.14 -3.90 0.12 0.00 0.01 0.00 0.00 42.46 38.54 3mgk s ILE 5 CO -0.03 -0.17 0.81 -1.81 0.00 0.00 0.00 174.94 173.74 3mgk s ASP 6 N 1.75 6.31 -0.54 3.58 1.01 0.88 -0.45 116.67 129.20 3mgk s ASP 6 Ca 0.16 -1.60 -0.28 0.00 0.71 0.00 0.00 52.55 51.54 3mgk s ASP 6 Cb -0.16 -2.32 0.03 0.00 1.01 0.00 0.00 42.92 41.48 3mgk s ASP 6 CO 0.13 -1.09 1.14 -0.69 0.21 0.00 0.00 175.17 174.86 3mgk s VAL 7 N 2.60 4.13 -0.30 -1.27 1.01 0.13 -0.88 120.40 125.83 3mgk s VAL 7 Ca 0.17 0.93 -0.26 0.00 0.00 0.00 0.00 61.98 62.82 3mgk s VAL 7 Cb -0.19 -4.66 0.01 0.00 0.00 0.00 0.00 36.38 31.54 3mgk s VAL 7 CO 0.03 -1.19 0.93 -0.22 0.00 0.00 0.00 175.10 174.64 3mgk s LEU 8 N 4.65 4.03 0.06 3.92 2.96 -0.11 -1.31 118.68 132.87 3mgk s LEU 8 Ca 0.43 0.91 0.03 0.00 -0.22 0.00 0.00 54.13 55.28 3mgk s LEU 8 Cb -0.08 -3.31 -0.04 0.00 0.50 0.00 0.00 46.19 43.26 3mgk s LEU 8 CO 0.27 -0.72 0.05 -0.76 -1.32 0.00 0.00 176.35 173.87 3mgk s LEU 9 N 3.25 3.68 0.15 -0.68 1.43 -0.15 -4.29 118.68 122.06 3mgk s LEU 9 Ca 0.39 -0.04 -0.06 0.00 -1.03 0.00 0.00 54.13 53.39 3mgk s LEU 9 Cb -0.14 -2.32 -0.02 0.00 0.03 0.00 0.00 46.19 43.75 3mgk s LEU 9 CO 0.13 0.20 0.19 0.72 0.23 0.00 0.00 176.35 177.81 3mgk s PHE 10 N -1.31 0.58 -0.13 0.29 -0.71 -1.26 -4.36 117.98 111.08 3mgk s PHE 10 Ca 0.26 -0.95 -0.37 0.00 -1.04 0.00 0.00 56.93 54.84 3mgk s PHE 10 Cb -0.12 -0.23 -0.14 0.00 -1.21 0.00 0.00 43.02 41.32 3mgk s PHE 10 CO 0.19 -0.64 1.74 -1.71 -1.34 0.00 0.00 175.22 173.46 3mgk n ASN 11 N -0.16 2.78 -1.55 1.98 4.05 -1.26 -2.19 115.26 118.90 3mgk n ASN 11 Ca -0.07 1.04 -0.09 0.00 0.45 0.00 0.00 54.58 55.91 3mgk n ASN 11 Cb 0.63 -1.26 0.02 0.00 1.23 0.00 0.00 39.78 40.41 3mgk n ASN 11 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 3mgk n LYS 12 N 5.41 -2.63 -1.91 1.20 5.02 0.37 -4.17 118.16 121.44 3mgk n LYS 12 Ca 0.23 0.34 -0.32 0.00 -2.02 0.00 0.00 58.31 56.54 3mgk n LYS 12 Cb 0.21 -3.92 0.02 0.00 -0.02 0.00 0.00 35.03 31.33 3mgk n LYS 12 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 3mgk s PHE 13 N -2.99 2.95 -0.03 2.13 -0.12 -0.93 -1.67 117.98 117.32 3mgk s PHE 13 Ca 0.18 1.50 -0.29 0.00 -0.05 0.00 0.00 56.93 58.27 3mgk s PHE 13 Cb -0.08 -3.01 -0.03 0.00 -0.63 0.00 0.00 43.02 39.27 3mgk s PHE 13 CO 0.23 -1.23 0.97 -2.00 -0.05 0.00 0.00 175.22 173.14 3mgk s GLU 14 N -4.25 4.52 0.09 1.99 2.56 -0.40 -0.76 118.70 122.45 3mgk s GLU 14 Ca 0.63 1.38 -0.22 0.00 0.00 0.00 0.00 54.97 56.76 3mgk s GLU 14 Cb -0.16 -3.48 -0.13 0.00 2.00 0.00 0.00 34.13 32.35 3mgk s GLU 14 CO 0.41 -0.11 1.73 1.15 -0.56 0.00 0.00 175.26 177.87 3mgk h THR 15 N 4.88 1.03 0.00 -1.70 2.02 -1.95 -2.94 112.91 114.25 3mgk h THR 15 Ca -0.38 -0.07 -0.09 0.00 0.77 0.00 0.00 66.41 66.64 3mgk h THR 15 Cb 1.20 0.99 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 3mgk h THR 15 CO 0.78 0.03 -0.41 0.25 0.37 0.00 0.00 175.52 176.53 3mgk h LEU 16 N 0.05 0.00 -1.28 2.58 5.85 -1.96 -1.08 115.31 119.46 3mgk h LEU 16 Ca 0.02 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.77 3mgk h LEU 16 Cb 0.01 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 3mgk h LEU 16 CO -0.00 0.41 0.50 0.44 -0.34 0.00 0.00 178.44 179.46 3mgk h ASP 17 N 0.00 0.80 0.00 1.25 5.19 -1.88 -2.34 116.42 119.44 3mgk h ASP 17 Ca -0.00 -0.01 -0.17 0.00 -0.62 0.00 0.00 57.03 56.23 3mgk h ASP 17 Cb 0.78 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 40.08 3mgk h ASP 17 CO 0.05 0.55 -0.93 0.58 -3.12 0.00 0.00 179.24 176.38 3mgk h VAL 18 N 0.93 1.07 0.00 -1.35 2.07 -1.48 -3.41 116.25 114.08 3mgk h VAL 18 Ca 0.31 -2.16 -0.07 0.00 0.82 0.00 0.00 66.70 65.60 3mgk h VAL 18 Cb 0.06 2.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 3mgk h VAL 18 CO -0.09 0.36 -0.32 -0.26 0.02 0.00 0.00 177.57 177.29 3mgk h PHE 19 N -1.00 0.00 -0.13 1.57 -1.00 -1.15 -2.27 116.94 112.95 3mgk h PHE 19 Ca -0.25 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.50 3mgk h PHE 19 Cb 1.19 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.75 3mgk h PHE 19 CO 0.13 0.32 -0.03 0.78 -1.61 0.00 0.00 178.31 177.90 3mgk h GLY 20 N 2.22 0.26 1.20 -1.45 0.00 -1.67 -2.28 103.07 101.35 3mgk h GLY 20 Ca -0.00 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.03 3mgk h GLY 20 CO 0.04 0.20 0.01 -2.55 0.00 0.00 0.00 176.54 174.23 3mgk h PRO 21 N -0.06 0.96 -0.77 4.80 0.11 -1.77 -2.07 132.00 133.21 3mgk h PRO 21 Ca 0.03 -0.28 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 3mgk h PRO 21 Cb 0.44 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 31.41 3mgk h PRO 21 CO 0.01 0.94 0.42 0.28 -0.21 0.00 0.00 178.00 179.45 3mgk h VAL 22 N 0.89 1.23 -0.88 3.15 2.07 -1.44 0.03 116.25 121.29 3mgk h VAL 22 Ca 0.16 -0.55 0.02 0.00 0.82 0.00 0.00 66.70 67.15 3mgk h VAL 22 Cb 0.51 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 3mgk h VAL 22 CO 0.02 0.25 0.58 -0.08 0.02 0.00 0.00 177.57 178.37 3mgk h GLU 23 N 1.07 1.14 0.18 1.57 4.57 -0.77 0.40 114.58 122.75 3mgk h GLU 23 Ca 0.27 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.37 3mgk h GLU 23 Cb 0.02 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 28.35 3mgk h GLU 23 CO -0.04 0.76 -0.09 0.82 -1.18 0.00 0.00 179.01 179.27 3mgk h ILE 24 N 1.18 0.90 -0.86 2.32 1.08 -0.98 -3.23 117.51 117.92 3mgk h ILE 24 Ca 0.33 -0.90 0.01 0.00 -0.39 0.00 0.00 64.86 63.91 3mgk h ILE 24 Cb -0.10 1.41 -0.04 0.00 -3.07 0.00 0.00 36.82 35.01 3mgk h ILE 24 CO -0.08 0.19 0.57 -0.26 -0.69 0.00 0.00 178.15 177.87 3mgk h PHE 25 N -0.73 1.08 0.00 1.37 0.04 -0.85 -1.64 116.94 116.21 3mgk h PHE 25 Ca -0.03 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3mgk h PHE 25 Cb 0.50 -0.36 0.00 0.00 2.20 0.00 0.00 35.95 38.29 3mgk h PHE 25 CO 0.06 0.68 0.00 0.41 -0.60 0.00 0.00 178.31 178.86 3mgk n GLY 26 N -1.40 -0.73 1.04 -1.45 0.00 0.14 -1.90 105.19 100.89 3mgk n GLY 26 Ca 0.10 -0.09 0.09 0.00 0.00 0.00 0.00 46.02 46.12 3mgk n GLY 26 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mgk n ASN 27 N -1.19 3.48 -3.19 1.61 3.02 -0.62 -4.51 115.26 113.86 3mgk n ASN 27 Ca 0.09 -1.99 -0.26 0.00 -0.03 0.00 0.00 54.58 52.40 3mgk n ASN 27 Cb 0.11 -0.36 -0.06 0.00 -0.61 0.00 0.00 39.78 38.86 3mgk n ASN 27 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3mgk n LEU 28 N 1.18 3.47 0.14 3.41 4.77 -0.80 -4.95 117.00 124.22 3mgk n LEU 28 Ca 0.19 -5.43 0.13 0.00 -0.03 0.00 0.00 56.01 50.86 3mgk n LEU 28 Cb 0.54 -0.39 0.42 0.00 -2.33 0.00 0.00 43.42 41.66 3mgk n LEU 28 CO 0.13 2.20 0.88 1.56 -1.33 0.00 0.00 177.39 180.82 3mgk h GLN 29 N 3.60 0.00 -0.01 3.23 4.20 -1.79 -0.02 115.11 124.33 3mgk h GLN 29 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3mgk h GLN 29 Cb 0.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.42 3mgk h GLN 29 CO 0.77 0.00 -0.11 -0.25 -0.67 0.00 0.00 178.83 178.57 3mgk n ASP 30 N -2.41 0.66 -0.07 1.46 8.00 -1.26 -4.19 116.55 118.74 3mgk n ASP 30 Ca 0.04 -0.78 -0.12 0.00 0.71 0.00 0.00 54.79 54.64 3mgk n ASP 30 Cb 0.38 -0.02 -0.06 0.00 -0.02 0.00 0.00 41.12 41.40 3mgk n ASP 30 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3mgk n ASP 31 N -0.76 2.06 -4.25 -2.24 8.00 -0.61 -4.74 116.55 114.01 3mgk n ASP 31 Ca 0.15 0.04 -0.32 0.00 0.71 0.00 0.00 54.79 55.38 3mgk n ASP 31 Cb 0.29 -0.31 -0.17 0.00 -0.02 0.00 0.00 41.12 40.91 3mgk n ASP 31 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3mgk s PHE 32 N -2.27 2.53 -0.38 1.24 0.08 -0.12 -2.92 117.98 116.14 3mgk s PHE 32 Ca -0.19 -0.89 -0.22 0.00 0.12 0.00 0.00 56.93 55.75 3mgk s PHE 32 Cb 0.06 -1.67 0.01 0.00 -0.57 0.00 0.00 43.02 40.85 3mgk s PHE 32 CO 0.29 -0.32 0.70 -1.21 -0.10 0.00 0.00 175.22 174.58 3mgk s GLU 33 N 0.13 3.60 -0.16 0.44 0.41 0.53 -4.52 118.70 119.13 3mgk s GLU 33 Ca -0.12 0.05 -0.29 0.00 -0.41 0.00 0.00 54.97 54.19 3mgk s GLU 33 Cb -0.16 -3.85 -0.00 0.00 -1.78 0.00 0.00 34.13 28.34 3mgk s GLU 33 CO 0.07 -0.87 1.01 -0.51 -0.49 0.00 0.00 175.26 174.47 3mgk s LEU 34 N 2.93 4.19 -0.26 1.80 1.43 -1.26 -0.06 118.68 127.46 3mgk s LEU 34 Ca 0.27 1.46 -0.00 0.00 -1.03 0.00 0.00 54.13 54.83 3mgk s LEU 34 Cb -0.14 -3.54 0.07 0.00 0.03 0.00 0.00 46.19 42.62 3mgk s LEU 34 CO 0.17 -0.53 0.02 0.21 0.23 0.00 0.00 176.35 176.45 3mgk s ASN 35 N 1.14 3.77 -0.35 2.29 2.47 0.41 -4.95 114.94 119.71 3mgk s ASN 35 Ca 0.46 -1.32 -0.27 0.00 0.42 0.00 0.00 52.86 52.15 3mgk s ASN 35 Cb -0.17 -1.00 0.02 0.00 -1.45 0.00 0.00 41.25 38.65 3mgk s ASN 35 CO 0.13 -0.32 1.01 -0.36 -3.72 0.00 0.00 177.10 173.84 3mgk s PHE 36 N 1.52 3.09 0.33 0.43 0.08 -1.26 -0.69 117.98 121.48 3mgk s PHE 36 Ca 0.01 0.97 0.10 0.00 0.12 0.00 0.00 56.93 58.13 3mgk s PHE 36 Cb -0.18 -3.72 -0.06 0.00 -0.57 0.00 0.00 43.02 38.49 3mgk s PHE 36 CO -0.12 -0.82 -0.11 0.96 -0.10 0.00 0.00 175.22 175.03 3mgk s ILE 37 N 3.62 2.22 0.28 0.64 -4.36 -0.43 -0.30 121.20 122.87 3mgk s ILE 37 Ca 0.42 -2.23 -0.19 0.00 -0.26 0.00 0.00 60.65 58.39 3mgk s ILE 37 Cb -0.12 -2.57 0.02 0.00 1.25 0.00 0.00 42.46 41.04 3mgk s ILE 37 CO 0.18 -0.24 0.68 -0.94 0.24 0.00 0.00 174.94 174.85 3mgk s SER 38 N -3.58 -0.19 0.53 4.36 1.04 -0.81 -0.98 113.70 114.07 3mgk s SER 38 Ca 0.32 -0.72 0.18 0.00 0.48 0.00 0.00 55.95 56.20 3mgk s SER 38 Cb 0.01 0.71 1.33 0.00 0.10 0.00 0.00 66.02 68.17 3mgk s SER 38 CO 0.16 -1.33 2.15 0.77 0.98 0.00 0.00 173.24 175.97 3mgk h SER 39 N 2.05 0.00 -0.00 7.02 4.64 -1.89 -3.21 113.55 122.15 3mgk h SER 39 Ca -0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 3mgk h SER 39 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3mgk h SER 39 CO 0.27 0.00 -0.19 -0.67 -0.87 0.00 0.00 176.83 175.37 3mgk n ASP 40 N -4.46 0.44 -0.59 4.97 2.03 -1.26 -4.98 116.55 112.68 3mgk n ASP 40 Ca -0.02 -0.72 0.05 0.00 0.52 0.00 0.00 54.79 54.62 3mgk n ASP 40 Cb 0.11 0.83 -0.01 0.00 -0.72 0.00 0.00 41.12 41.33 3mgk n ASP 40 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3mgk n GLY 41 N 0.97 -1.87 7.00 0.27 0.00 -1.21 -4.90 105.19 105.45 3mgk n GLY 41 Ca 0.01 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.73 3mgk n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mgk n GLY 42 N -1.47 -2.02 3.74 -0.02 0.00 -0.99 -4.85 105.19 99.59 3mgk n GLY 42 Ca 0.00 -1.41 -0.40 0.00 0.00 0.00 0.00 46.02 44.21 3mgk n GLY 42 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mgk s LEU 43 N 0.00 4.53 -0.07 0.99 1.43 -1.26 -1.28 118.68 123.02 3mgk s LEU 43 Ca 0.00 1.72 0.04 0.00 -1.03 0.00 0.00 54.13 54.86 3mgk s LEU 43 Cb 0.00 -3.46 -0.02 0.00 0.03 0.00 0.00 46.19 42.74 3mgk s LEU 43 CO 0.00 0.04 -0.19 -0.69 0.23 0.00 0.00 176.35 175.74 3mgk s VAL 44 N -0.42 2.61 -0.21 -1.59 1.01 0.22 -4.87 120.40 117.16 3mgk s VAL 44 Ca 0.42 -0.86 -0.13 0.00 0.00 0.00 0.00 61.98 61.41 3mgk s VAL 44 Cb -0.23 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 3mgk s VAL 44 CO 0.28 0.57 0.26 -0.70 0.00 0.00 0.00 175.10 175.50 3mgk s GLU 45 N -0.24 4.16 1.09 2.72 2.12 -1.26 -1.37 118.70 125.92 3mgk s GLU 45 Ca -0.00 -0.04 -0.16 0.00 0.36 0.00 0.00 54.97 55.13 3mgk s GLU 45 Cb -0.13 -3.50 0.23 0.00 0.26 0.00 0.00 34.13 30.99 3mgk s GLU 45 CO 0.03 0.10 1.12 -1.54 -0.54 0.00 0.00 175.26 174.43 3mgk s SER 46 N 0.84 1.87 0.15 -1.70 1.04 -0.31 -0.48 113.70 115.10 3mgk s SER 46 Ca 0.13 0.84 0.23 0.00 0.48 0.00 0.00 55.95 57.63 3mgk s SER 46 Cb -0.13 -1.26 0.90 0.00 0.10 0.00 0.00 66.02 65.63 3mgk s SER 46 CO 0.05 -3.56 1.71 -1.20 0.98 0.00 0.00 173.24 171.22 3mgk n SER 47 N -4.41 0.45 -1.19 7.02 7.64 0.06 -2.33 113.62 120.85 3mgk n SER 47 Ca 0.10 0.58 0.08 0.00 1.01 0.00 0.00 58.87 60.64 3mgk n SER 47 Cb 0.59 -0.69 0.30 0.00 -1.01 0.00 0.00 64.21 63.40 3mgk n SER 47 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3mgk n GLN 48 N -1.96 3.50 -2.25 1.43 3.00 -1.26 -4.97 117.38 114.87 3mgk n GLN 48 Ca 0.04 -2.88 -0.10 0.00 -0.01 0.00 0.00 57.00 54.06 3mgk n GLN 48 Cb 0.29 -1.92 -0.00 0.00 0.00 0.00 0.00 30.24 28.61 3mgk n GLN 48 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 3mgk n LYS 49 N -0.02 -1.02 -3.76 -1.09 4.76 -0.99 -5.05 118.16 111.00 3mgk n LYS 49 Ca 0.23 0.47 -0.36 0.00 -2.87 0.00 0.00 58.31 55.78 3mgk n LYS 49 Cb 0.94 -4.48 -0.07 0.00 -1.84 0.00 0.00 35.03 29.58 3mgk n LYS 49 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 3mgk s VAL 50 N -2.54 5.43 -0.22 -0.18 0.11 -1.26 -4.87 120.40 116.86 3mgk s VAL 50 Ca 0.02 0.22 -0.08 0.00 -2.93 0.00 0.00 61.98 59.21 3mgk s VAL 50 Cb -0.01 -3.46 -0.04 0.00 -1.53 0.00 0.00 36.38 31.34 3mgk s VAL 50 CO 0.03 0.49 0.09 -0.13 -3.33 0.00 0.00 175.10 172.25 3mgk s ARG 51 N -0.04 3.89 -0.04 1.54 0.52 -1.26 -1.16 118.95 122.39 3mgk s ARG 51 Ca 0.11 -0.37 0.06 0.00 -0.52 0.00 0.00 55.73 55.00 3mgk s ARG 51 Cb -0.11 -3.34 -0.02 0.00 0.52 0.00 0.00 34.95 32.00 3mgk s ARG 51 CO 0.00 0.05 -0.23 0.08 0.02 0.00 0.00 175.30 175.23 3mgk s VAL 52 N 1.00 2.31 0.19 3.52 1.01 -0.47 -4.89 120.40 123.07 3mgk s VAL 52 Ca 0.05 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 60.73 3mgk s VAL 52 Cb -0.14 -1.84 -0.08 0.00 0.00 0.00 0.00 36.38 34.32 3mgk s VAL 52 CO 0.03 0.58 1.12 -0.70 0.00 0.00 0.00 175.10 176.13 3mgk s GLU 53 N -0.46 4.58 0.22 2.72 2.12 -1.26 -0.61 118.70 126.01 3mgk s GLU 53 Ca 0.05 1.76 0.01 0.00 0.36 0.00 0.00 54.97 57.16 3mgk s GLU 53 Cb -0.12 -3.26 -0.05 0.00 0.26 0.00 0.00 34.13 30.97 3mgk s GLU 53 CO 0.01 0.05 0.06 0.95 -0.54 0.00 0.00 175.26 175.79 3mgk s THR 54 N -0.30 0.61 0.35 -1.70 -4.23 -0.41 -4.88 115.64 105.08 3mgk s THR 54 Ca 0.50 -1.99 0.03 0.00 -1.18 0.00 0.00 61.69 59.05 3mgk s THR 54 Cb -0.30 -2.42 -0.04 0.00 1.34 0.00 0.00 72.50 71.07 3mgk s THR 54 CO 0.36 -0.20 0.11 -0.94 -0.54 0.00 0.00 174.62 173.41 3mgk s SER 55 N -3.25 2.30 0.45 3.99 1.04 0.59 -2.33 113.70 116.48 3mgk s SER 55 Ca 0.32 -1.53 -0.22 0.00 0.48 0.00 0.00 55.95 55.01 3mgk s SER 55 Cb 0.07 0.26 -0.09 0.00 0.10 0.00 0.00 66.02 66.36 3mgk s SER 55 CO 0.10 -0.80 1.03 -0.76 0.98 0.00 0.00 173.24 173.79 3mgk s LEU 56 N -3.50 3.96 0.19 2.42 1.43 -1.26 -1.93 118.68 119.99 3mgk s LEU 56 Ca 0.31 1.93 -0.30 0.00 -1.03 0.00 0.00 54.13 55.04 3mgk s LEU 56 Cb 0.06 -4.43 -0.08 0.00 0.03 0.00 0.00 46.19 41.76 3mgk s LEU 56 CO 0.15 -0.63 1.27 -0.47 0.23 0.00 0.00 176.35 176.90 3mgk s TYR 57 N -1.89 3.31 0.07 0.29 5.04 -1.26 -4.92 117.35 117.99 3mgk s TYR 57 Ca 0.63 1.29 0.06 0.00 -2.44 0.00 0.00 57.07 56.61 3mgk s TYR 57 Cb -0.17 -3.54 -0.03 0.00 0.35 0.00 0.00 41.96 38.56 3mgk s TYR 57 CO 0.22 -1.65 -0.16 0.95 -1.34 0.00 0.00 175.55 173.56 3mgk s THR 58 N 0.07 1.30 0.20 4.34 -4.23 -1.26 -5.13 115.64 110.93 3mgk s THR 58 Ca 0.55 -1.28 -0.26 0.00 -1.18 0.00 0.00 61.69 59.52 3mgk s THR 58 Cb -0.35 -1.20 -0.08 0.00 1.34 0.00 0.00 72.50 72.20 3mgk s THR 58 CO 0.38 -0.09 0.83 0.00 -0.54 0.00 0.00 174.62 175.19 3mgk s ARG 59 N -1.59 4.63 -0.08 3.99 1.70 -1.26 -5.07 118.95 121.28 3mgk s ARG 59 Ca 0.02 1.24 -0.01 0.00 -0.47 0.00 0.00 55.73 56.51 3mgk s ARG 59 Cb -0.09 -3.22 0.03 0.00 -0.57 0.00 0.00 34.95 31.09 3mgk s ARG 59 CO 0.02 0.53 -0.03 -0.51 -1.08 0.00 0.00 175.30 174.24 3mgk s ASP 60 N -1.21 1.62 0.24 -2.89 1.11 -1.26 -4.98 116.67 109.31 3mgk s ASP 60 Ca 0.38 -0.15 -0.03 0.00 0.18 0.00 0.00 52.55 52.93 3mgk s ASP 60 Cb -0.23 -0.56 0.26 0.00 1.07 0.00 0.00 42.92 43.46 3mgk s ASP 60 CO 0.27 -0.14 1.69 -0.08 1.18 0.00 0.00 175.17 178.09 3mgk h GLU 61 N 8.03 0.77 -0.68 8.23 4.81 -2.00 -3.35 114.58 130.39 3mgk h GLU 61 Ca -0.26 -0.26 -0.04 0.00 -0.13 0.00 0.00 59.36 58.67 3mgk h GLU 61 Cb 1.13 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.42 3mgk h GLU 61 CO 0.34 0.86 0.27 -0.91 -0.73 0.00 0.00 179.01 178.84 3mgk h ASN 62 N 0.69 0.91 -4.08 1.04 -0.26 -2.03 -3.46 115.58 108.40 3mgk h ASN 62 Ca 0.11 -0.13 -0.62 0.00 -0.56 0.00 0.00 56.30 55.11 3mgk h ASN 62 Cb 0.61 -0.24 -0.22 0.00 -1.06 0.00 0.00 38.32 37.41 3mgk h ASN 62 CO 0.04 0.82 -0.85 -0.51 -1.06 0.00 0.00 177.43 175.87 3mgk s ILE 63 N -5.45 1.95 0.09 2.81 2.07 -1.26 -5.10 121.20 116.32 3mgk s ILE 63 Ca -0.11 -1.61 -0.30 0.00 -1.41 0.00 0.00 60.65 57.22 3mgk s ILE 63 Cb 0.16 -1.74 -0.06 0.00 0.13 0.00 0.00 42.46 40.94 3mgk s ILE 63 CO 0.81 0.03 1.18 -1.61 -1.91 0.00 0.00 174.94 173.44 3mgk s GLU 64 N -1.91 4.47 -0.11 3.50 0.41 -1.23 -4.89 118.70 118.95 3mgk s GLU 64 Ca 0.10 1.77 0.01 0.00 -0.41 0.00 0.00 54.97 56.44 3mgk s GLU 64 Cb -0.10 -3.32 -0.02 0.00 -1.78 0.00 0.00 34.13 28.91 3mgk s GLU 64 CO 0.05 -0.18 -0.14 0.15 -0.49 0.00 0.00 175.26 174.65 3mgk s LYS 65 N 0.67 3.13 -0.26 1.61 1.02 -1.26 -0.89 119.74 123.75 3mgk s LYS 65 Ca 0.56 -0.70 -0.05 0.00 0.02 0.00 0.00 55.97 55.80 3mgk s LYS 65 Cb -0.30 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.47 3mgk s LYS 65 CO 0.31 0.32 0.03 0.42 -0.92 0.00 0.00 175.35 175.51 3mgk s ILE 66 N 0.06 3.71 -0.22 2.17 1.01 0.55 -0.17 121.20 128.31 3mgk s ILE 66 Ca -0.05 -0.61 -0.17 0.00 0.00 0.00 0.00 60.65 59.82 3mgk s ILE 66 Cb -0.15 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 3mgk s ILE 66 CO 0.04 0.23 0.44 -0.22 0.00 0.00 0.00 174.94 175.43 3mgk s LEU 67 N 1.49 4.13 -0.16 2.97 2.96 -0.47 -0.09 118.68 129.51 3mgk s LEU 67 Ca 0.04 0.53 -0.00 0.00 -0.22 0.00 0.00 54.13 54.47 3mgk s LEU 67 Cb -0.16 -2.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.95 3mgk s LEU 67 CO 0.00 -0.14 -0.13 0.12 -1.32 0.00 0.00 176.35 174.87 3mgk s PHE 68 N 1.61 2.81 -0.24 5.38 5.36 -0.06 -0.83 117.98 132.01 3mgk s PHE 68 Ca 0.20 -0.94 -0.01 0.00 -0.96 0.00 0.00 56.93 55.23 3mgk s PHE 68 Cb -0.15 -1.91 0.07 0.00 -0.34 0.00 0.00 43.02 40.69 3mgk s PHE 68 CO 0.09 -0.42 0.01 0.08 -1.46 0.00 0.00 175.22 173.52 3mgk s VAL 69 N 0.79 1.11 0.84 3.12 1.01 0.29 -0.94 120.40 126.62 3mgk s VAL 69 Ca -0.05 -1.09 -0.13 0.00 0.00 0.00 0.00 61.98 60.71 3mgk s VAL 69 Cb -0.15 -1.56 0.11 0.00 0.00 0.00 0.00 36.38 34.77 3mgk s VAL 69 CO 0.01 -0.27 1.21 -2.16 0.00 0.00 0.00 175.10 173.88 3mgk s PRO 70 N 1.57 1.68 0.00 2.72 0.04 -1.26 -2.19 135.00 137.55 3mgk s PRO 70 Ca -0.00 -0.01 0.00 0.00 0.04 0.00 0.00 61.00 61.02 3mgk s PRO 70 Cb -0.18 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.43 3mgk s PRO 70 CO -0.11 -1.77 0.00 0.41 0.04 0.00 0.00 177.00 175.57 3mgk n GLY 71 N -3.41 2.29 0.00 0.56 0.00 -0.87 -3.24 105.19 100.52 3mgk n GLY 71 Ca 0.10 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.17 3mgk n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mgk n GLY 72 N 5.00 3.00 0.32 -0.02 0.00 -1.26 -1.28 105.19 110.95 3mgk n GLY 72 Ca 0.00 -2.02 0.16 0.00 0.00 0.00 0.00 46.02 44.16 3mgk n GLY 72 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3mgk h SER 73 N 0.00 0.01 -0.03 1.61 0.02 -1.88 -0.63 113.55 112.66 3mgk h SER 73 Ca 0.00 0.22 0.01 0.00 -0.84 0.00 0.00 61.79 61.17 3mgk h SER 73 Cb 0.00 0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 3mgk h SER 73 CO 0.00 -0.21 0.25 1.23 -1.14 0.00 0.00 176.83 176.95 3mgk h GLY 74 N 0.17 0.00 2.00 -3.77 0.00 -1.48 0.19 103.07 100.17 3mgk h GLY 74 Ca 0.61 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.87 3mgk h GLY 74 CO -0.71 0.00 -0.35 -0.91 0.00 0.00 0.00 176.54 174.57 3mgk h THR 75 N 0.00 1.21 -0.96 4.70 1.35 -1.37 -1.64 112.91 116.20 3mgk h THR 75 Ca 0.01 -1.23 0.15 0.00 -0.55 0.00 0.00 66.41 64.79 3mgk h THR 75 Cb 0.51 1.67 -0.09 0.00 -1.73 0.00 0.00 68.15 68.51 3mgk h THR 75 CO -0.00 0.35 0.58 0.03 -0.25 0.00 0.00 175.52 176.22 3mgk h ARG 76 N 0.00 0.81 0.00 4.72 2.47 -1.14 0.09 114.38 121.33 3mgk h ARG 76 Ca -0.00 -0.05 -0.31 0.00 -1.26 0.00 0.00 59.98 58.36 3mgk h ARG 76 Cb 0.64 -0.18 -0.05 0.00 -1.65 0.00 0.00 29.97 28.73 3mgk h ARG 76 CO 0.05 0.54 -1.87 0.39 0.56 0.00 0.00 179.97 179.63 3mgk n GLU 77 N -4.72 0.65 0.22 0.04 1.02 -1.18 -4.27 120.64 112.39 3mgk n GLU 77 Ca 0.20 0.23 0.09 0.00 -0.02 0.00 0.00 57.16 57.66 3mgk n GLU 77 Cb 0.44 -1.73 0.46 0.00 -0.02 0.00 0.00 31.44 30.58 3mgk n GLU 77 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3mgk h LYS 78 N 0.00 0.00 -0.74 3.49 1.79 -0.70 -2.58 116.57 117.82 3mgk h LYS 78 Ca -0.35 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.09 3mgk h LYS 78 Cb 2.06 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 32.68 3mgk h LYS 78 CO 0.07 0.25 0.35 -0.39 -1.08 0.00 0.00 179.45 178.65 3mgk h VAL 79 N 0.00 1.24 -0.26 0.50 -1.51 -1.18 -2.76 116.25 112.29 3mgk h VAL 79 Ca -0.00 -0.68 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 3mgk h VAL 79 Cb 0.74 0.31 0.00 0.00 -2.13 0.00 0.00 31.29 30.21 3mgk h VAL 79 CO 0.03 0.29 0.00 0.59 -1.23 0.00 0.00 177.57 177.25 3mgk n ASN 80 N -4.39 2.90 -4.13 4.19 3.02 -0.99 -4.60 115.26 111.27 3mgk n ASN 80 Ca 0.06 -2.35 -0.37 0.00 -0.03 0.00 0.00 54.58 51.89 3mgk n ASN 80 Cb 0.14 -0.53 -0.11 0.00 -0.61 0.00 0.00 39.78 38.67 3mgk n ASN 80 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3mgk s ASP 81 N -0.43 5.32 0.23 6.41 -1.08 -1.04 -4.96 116.67 121.12 3mgk s ASP 81 Ca 0.24 -2.22 -0.07 0.00 -0.52 0.00 0.00 52.55 49.98 3mgk s ASP 81 Cb 0.17 -1.86 0.37 0.00 -1.46 0.00 0.00 42.92 40.14 3mgk s ASP 81 CO 0.08 -0.52 1.74 0.44 0.52 0.00 0.00 175.17 177.43 3mgk h ASP 82 N 7.85 0.27 -0.76 -0.34 5.19 -1.85 -1.27 116.42 125.51 3mgk h ASP 82 Ca -0.11 0.09 -0.04 0.00 -0.62 0.00 0.00 57.03 56.35 3mgk h ASP 82 Cb 1.03 0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.57 3mgk h ASP 82 CO 0.72 0.13 0.33 0.78 -3.12 0.00 0.00 179.24 178.08 3mgk h ASN 83 N 0.44 1.04 -0.33 6.45 -0.26 -1.95 -0.74 115.58 120.23 3mgk h ASN 83 Ca 0.36 -0.14 -0.04 0.00 -0.56 0.00 0.00 56.30 55.93 3mgk h ASN 83 Cb 0.50 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.48 3mgk h ASN 83 CO -0.36 0.90 0.07 0.15 -1.06 0.00 0.00 177.43 177.13 3mgk h PHE 84 N 1.11 0.57 -0.91 1.19 3.57 -1.73 -2.23 116.94 118.52 3mgk h PHE 84 Ca 0.26 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.69 3mgk h PHE 84 Cb 0.17 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 3mgk h PHE 84 CO 0.02 0.60 0.58 0.82 -2.23 0.00 0.00 178.31 178.09 3mgk h ILE 85 N 0.38 1.24 -0.52 1.41 1.08 -0.69 -0.47 117.51 119.94 3mgk h ILE 85 Ca 0.10 -0.48 0.04 0.00 -0.39 0.00 0.00 64.86 64.14 3mgk h ILE 85 Cb 0.32 -0.07 -0.04 0.00 -3.07 0.00 0.00 36.82 33.96 3mgk h ILE 85 CO 0.00 0.24 0.27 0.78 -0.69 0.00 0.00 178.15 178.75 3mgk h ASN 86 N 1.24 0.39 -0.19 1.72 2.35 -1.11 -1.53 115.58 118.45 3mgk h ASN 86 Ca 0.33 0.03 0.05 0.00 -0.55 0.00 0.00 56.30 56.15 3mgk h ASN 86 Cb -0.10 -0.05 -0.07 0.00 0.05 0.00 0.00 38.32 38.15 3mgk h ASN 86 CO -0.07 0.27 -0.40 0.15 -1.65 0.00 0.00 177.43 175.73 3mgk h PHE 87 N 0.52 -1.15 0.05 1.19 3.57 -0.57 -0.36 116.94 120.20 3mgk h PHE 87 Ca 0.23 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.79 3mgk h PHE 87 Cb 0.12 0.53 -0.03 0.00 2.79 0.00 0.00 35.95 39.37 3mgk h PHE 87 CO -0.10 -0.45 -0.17 0.82 -2.23 0.00 0.00 178.31 176.18 3mgk h ILE 88 N -0.44 0.61 -0.87 1.41 2.04 -0.87 -1.89 117.51 117.49 3mgk h ILE 88 Ca 0.09 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.06 3mgk h ILE 88 Cb 0.60 0.61 -0.08 0.00 -0.74 0.00 0.00 36.82 37.21 3mgk h ILE 88 CO -0.42 0.00 0.50 1.23 0.00 0.00 0.00 178.15 179.46 3mgk h GLY 89 N -0.30 1.39 0.26 5.37 0.00 -1.04 0.99 103.07 109.74 3mgk h GLY 89 Ca 0.04 -0.33 0.09 0.00 0.00 0.00 0.00 47.33 47.13 3mgk h GLY 89 CO -0.12 0.10 0.07 -0.57 0.00 0.00 0.00 176.54 176.02 3mgk h ASN 90 N 0.81 -0.08 -0.31 0.19 -1.24 -0.64 -1.64 115.58 112.67 3mgk h ASN 90 Ca 0.43 0.10 -0.13 0.00 0.71 0.00 0.00 56.30 57.42 3mgk h ASN 90 Cb 0.45 0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.66 3mgk h ASN 90 CO -0.27 -0.01 -0.30 0.24 -1.29 0.00 0.00 177.43 175.79 3mgk h MET 91 N 0.19 0.76 -0.06 6.67 2.86 -0.11 -3.23 114.93 122.01 3mgk h MET 91 Ca 0.26 -0.39 0.02 0.00 -2.06 0.00 0.00 59.70 57.53 3mgk h MET 91 Cb 0.38 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 3mgk h MET 91 CO -0.37 1.02 -0.05 0.28 1.06 0.00 0.00 176.91 178.84 3mgk h VAL 92 N 0.52 0.84 -0.72 -2.22 2.07 -0.77 -2.05 116.25 113.92 3mgk h VAL 92 Ca 0.05 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.78 3mgk h VAL 92 Cb 0.87 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 3mgk h VAL 92 CO 0.07 0.00 0.88 0.11 0.02 0.00 0.00 177.57 178.66 3mgk h LYS 93 N -0.07 0.00 -0.01 1.57 1.57 -1.32 0.14 116.57 118.46 3mgk h LYS 93 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3mgk h LYS 93 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3mgk h LYS 93 CO -0.10 0.00 -0.23 -1.91 -0.57 0.00 0.00 179.45 176.64 3mgk n GLU 94 N -3.38 1.61 -3.72 3.15 4.07 -0.78 -5.01 120.64 116.58 3mgk n GLU 94 Ca 0.15 -0.94 -0.32 0.00 -0.06 0.00 0.00 57.16 56.00 3mgk n GLU 94 Cb 1.12 -1.25 -0.05 0.00 -0.06 0.00 0.00 31.44 31.20 3mgk n GLU 94 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 3mgk s SER 95 N -1.67 6.47 -0.02 4.31 0.01 0.49 -4.71 113.70 118.59 3mgk s SER 95 Ca 0.14 0.53 -0.21 0.00 1.31 0.00 0.00 55.95 57.72 3mgk s SER 95 Cb 0.12 -2.07 -0.28 0.00 0.21 0.00 0.00 66.02 64.01 3mgk s SER 95 CO 0.33 0.09 1.00 0.50 0.41 0.00 0.00 173.24 175.58 3mgk h LYS 96 N 2.99 0.37 -6.29 12.44 3.11 -0.88 -3.47 116.57 124.84 3mgk h LYS 96 Ca -0.46 -0.49 -0.58 0.00 -2.81 0.00 0.00 60.65 56.30 3mgk h LYS 96 Cb 1.17 0.16 -0.21 0.00 -1.00 0.00 0.00 32.23 32.35 3mgk h LYS 96 CO 0.73 1.18 -0.83 0.71 -2.81 0.00 0.00 179.45 178.43 3mgk s TYR 97 N -2.83 1.90 -0.04 1.91 2.02 -1.07 -4.79 117.35 114.44 3mgk s TYR 97 Ca -0.13 -0.41 -0.01 0.00 -0.37 0.00 0.00 57.07 56.15 3mgk s TYR 97 Cb 0.02 -1.03 0.03 0.00 -0.40 0.00 0.00 41.96 40.58 3mgk s TYR 97 CO 0.83 0.25 0.02 0.42 -1.57 0.00 0.00 175.55 175.50 3mgk s ILE 98 N -1.24 0.11 -0.03 2.71 1.01 -0.71 -1.37 121.20 121.68 3mgk s ILE 98 Ca 0.09 0.20 0.03 0.00 0.00 0.00 0.00 60.65 60.97 3mgk s ILE 98 Cb -0.10 -0.26 0.00 0.00 0.01 0.00 0.00 42.46 42.11 3mgk s ILE 98 CO 0.05 0.17 -0.11 -0.63 0.00 0.00 0.00 174.94 174.42 3mgk s ILE 99 N 1.50 0.93 0.04 2.92 1.01 -0.01 -0.38 121.20 127.21 3mgk s ILE 99 Ca -0.03 -0.44 -0.01 0.00 0.00 0.00 0.00 60.65 60.17 3mgk s ILE 99 Cb -0.13 -0.82 -0.03 0.00 0.01 0.00 0.00 42.46 41.49 3mgk s ILE 99 CO -0.03 0.28 -0.03 -0.94 0.00 0.00 0.00 174.94 174.22 3mgk s SER 100 N 0.13 0.43 0.02 3.58 1.04 -0.30 -0.55 113.70 118.05 3mgk s SER 100 Ca -0.03 -0.82 0.04 0.00 0.48 0.00 0.00 55.95 55.62 3mgk s SER 100 Cb -0.09 0.16 -0.02 0.00 0.10 0.00 0.00 66.02 66.17 3mgk s SER 100 CO 0.01 -0.48 -0.12 -0.69 0.98 0.00 0.00 173.24 172.93 3mgk s VAL 101 N -3.00 0.94 0.00 5.02 1.01 -0.93 -1.20 120.40 122.24 3mgk s VAL 101 Ca -0.01 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.22 3mgk s VAL 101 Cb 0.01 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.56 3mgk s VAL 101 CO -0.07 0.09 0.00 0.00 0.00 0.00 0.00 175.10 175.12 3mgk n THR 103 N 0.00 0.00 0.32 0.00 -2.24 -1.26 -2.83 114.28 108.27 3mgk n THR 103 Ca 0.00 0.00 0.21 0.00 -2.27 0.00 0.00 64.05 61.99 3mgk n THR 103 Cb 0.00 -0.25 1.09 0.00 -2.10 0.00 0.00 70.33 69.07 3mgk n THR 103 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3mgk h GLY 104 N 4.20 0.00 1.90 3.38 0.00 -1.08 -2.58 103.07 108.89 3mgk h GLY 104 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 3mgk h GLY 104 CO 0.00 0.00 -0.96 1.48 0.00 0.00 0.00 176.54 177.06 3mgk h SER 105 N 0.00 0.11 -0.83 0.19 4.64 -1.73 -2.21 113.55 113.72 3mgk h SER 105 Ca -0.00 -0.11 0.16 0.00 -0.47 0.00 0.00 61.79 61.37 3mgk h SER 105 Cb 0.12 -0.04 -0.10 0.00 -0.31 0.00 0.00 62.40 62.07 3mgk h SER 105 CO 0.00 1.00 0.39 0.00 -0.87 0.00 0.00 176.83 177.36 3mgk h ALA 106 N 0.99 1.24 -0.38 5.18 0.00 -1.71 0.91 119.26 125.48 3mgk h ALA 106 Ca -0.03 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3mgk h ALA 106 Cb 1.65 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 3mgk h ALA 106 CO 0.13 -0.16 -0.18 -0.07 0.00 0.00 0.00 179.25 178.98 3mgk h LEU 107 N 0.54 0.82 -1.06 0.00 3.38 -1.47 -1.03 115.31 116.48 3mgk h LEU 107 Ca 0.46 -0.40 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 3mgk h LEU 107 Cb 0.71 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3mgk h LEU 107 CO -0.40 1.04 -0.43 -0.07 0.09 0.00 0.00 178.44 178.67 3mgk h LEU 108 N 0.59 0.09 0.71 1.67 3.38 -0.65 -1.66 115.31 119.43 3mgk h LEU 108 Ca 0.09 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3mgk h LEU 108 Cb 0.73 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.46 3mgk h LEU 108 CO 0.05 0.51 -0.34 -1.28 0.09 0.00 0.00 178.44 177.48 3mgk h SER 109 N 0.07 -0.80 -1.14 -0.43 0.87 0.10 -2.53 113.55 109.69 3mgk h SER 109 Ca 0.00 0.01 0.32 0.00 -1.23 0.00 0.00 61.79 60.89 3mgk h SER 109 Cb 0.79 0.21 -0.09 0.00 -0.44 0.00 0.00 62.40 62.87 3mgk h SER 109 CO 0.06 -0.44 0.75 0.11 -0.53 0.00 0.00 176.83 176.78 3mgk h LYS 110 N -1.20 0.24 0.00 2.24 1.79 -1.08 1.70 116.57 120.26 3mgk h LYS 110 Ca -0.10 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 3mgk h LYS 110 Cb 0.75 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.34 3mgk h LYS 110 CO 0.16 0.16 0.00 0.00 -1.08 0.00 0.00 179.45 178.69 3mgk n ALA 111 N -2.56 2.45 -0.99 3.86 0.00 -0.64 -4.87 120.51 117.76 3mgk n ALA 111 Ca 0.28 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3mgk n ALA 111 Cb 1.07 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 19.07 3mgk n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mgk n GLY 112 N 0.98 0.57 0.13 0.00 0.00 0.58 -4.86 105.19 102.60 3mgk n GLY 112 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.31 3mgk n GLY 112 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3mgk h ILE 113 N 0.00 0.00 -0.11 -0.61 -0.00 -1.64 -3.17 117.51 111.98 3mgk h ILE 113 Ca 0.00 -0.58 0.00 0.00 -0.00 0.00 0.00 64.86 64.28 3mgk h ILE 113 Cb 0.04 1.56 0.00 0.00 -0.00 0.00 0.00 36.82 38.42 3mgk h ILE 113 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 178.15 178.33 3mgk n LEU 114 N -2.46 3.07 -4.71 2.19 4.77 -1.26 -4.91 117.00 113.69 3mgk n LEU 114 Ca 0.05 -1.11 -0.43 0.00 -0.03 0.00 0.00 56.01 54.49 3mgk n LEU 114 Cb 0.44 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.44 3mgk n LEU 114 CO 0.31 0.55 1.35 0.59 -1.33 0.00 0.00 177.39 178.85 3mgk n ASN 115 N 1.36 3.88 -0.48 -1.43 3.02 -1.20 -0.94 115.26 119.47 3mgk n ASN 115 Ca 0.15 1.07 -0.06 0.00 -0.03 0.00 0.00 54.58 55.70 3mgk n ASN 115 Cb 0.59 -1.56 -0.03 0.00 -0.61 0.00 0.00 39.78 38.18 3mgk n ASN 115 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mgk n GLY 116 N 3.85 0.84 3.43 7.41 0.00 0.47 -4.95 105.19 116.24 3mgk n GLY 116 Ca 0.16 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.37 3mgk n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mgk s LYS 117 N -2.24 1.87 0.05 1.61 3.01 -0.12 -4.85 119.74 119.08 3mgk s LYS 117 Ca 0.00 -1.10 -0.30 0.00 -1.01 0.00 0.00 55.97 53.56 3mgk s LYS 117 Cb 0.00 -2.09 -0.05 0.00 -1.01 0.00 0.00 37.83 34.68 3mgk s LYS 117 CO 0.00 0.51 1.09 1.03 0.51 0.00 0.00 175.35 178.49 3mgk s ARG 118 N -1.60 4.51 0.26 1.68 0.52 -1.26 -0.49 118.95 122.59 3mgk s ARG 118 Ca 0.14 1.61 -0.18 0.00 -0.52 0.00 0.00 55.73 56.78 3mgk s ARG 118 Cb -0.10 -3.39 0.01 0.00 0.52 0.00 0.00 34.95 31.99 3mgk s ARG 118 CO 0.05 -0.12 0.63 0.00 0.02 0.00 0.00 175.30 175.89 3mgk s ALA 119 N 0.86 -0.90 0.32 2.13 0.00 -1.04 -4.59 121.76 118.54 3mgk s ALA 119 Ca 0.54 -0.48 0.04 0.00 0.00 0.00 0.00 51.96 52.06 3mgk s ALA 119 Cb -0.26 0.92 -0.01 0.00 0.00 0.00 0.00 23.12 23.77 3mgk s ALA 119 CO 0.29 -0.97 0.34 -2.37 0.00 0.00 0.00 175.76 173.06 3mgk n THR 120 N -0.43 0.00 -3.88 0.00 5.66 -1.26 0.62 114.28 114.99 3mgk n THR 120 Ca -0.04 -2.08 -0.10 0.00 -3.05 0.00 0.00 64.05 58.78 3mgk n THR 120 Cb 0.60 1.11 0.01 0.00 -1.55 0.00 0.00 70.33 70.50 3mgk n THR 120 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 3mgk s THR 121 N -3.10 0.00 0.69 1.09 -1.32 -1.26 -4.46 115.64 107.28 3mgk s THR 121 Ca 0.34 -1.16 -0.14 0.00 -1.21 0.00 0.00 61.69 59.52 3mgk s THR 121 Cb 0.01 -2.81 0.01 0.00 -1.51 0.00 0.00 72.50 68.20 3mgk s THR 121 CO 0.24 0.00 1.12 0.54 -2.21 0.00 0.00 174.62 174.31 3mgk s ASN 122 N -3.12 4.87 0.12 8.08 4.22 -1.26 -4.33 114.94 123.52 3mgk s ASN 122 Ca 0.19 2.03 -0.10 0.00 -2.14 0.00 0.00 52.86 52.85 3mgk s ASN 122 Cb -0.04 -2.55 -0.11 0.00 1.28 0.00 0.00 41.25 39.83 3mgk s ASN 122 CO 0.14 -1.79 1.32 0.11 -2.04 0.00 0.00 177.10 174.84 3mgk h LYS 123 N -0.18 0.67 -0.22 3.55 1.79 -1.91 -2.32 116.57 117.95 3mgk h LYS 123 Ca -0.46 -0.58 0.04 0.00 -2.18 0.00 0.00 60.65 57.47 3mgk h LYS 123 Cb 1.25 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 32.02 3mgk h LYS 123 CO 0.53 1.19 0.15 -0.09 -1.08 0.00 0.00 179.45 180.15 3mgk h ARG 124 N 0.44 0.10 -0.48 3.15 2.43 -1.92 -2.36 114.38 115.74 3mgk h ARG 124 Ca -0.06 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3mgk h ARG 124 Cb 1.43 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.96 3mgk h ARG 124 CO 0.16 0.06 0.00 0.43 -1.51 0.00 0.00 179.97 179.11 3mgk n SER 125 N -4.49 3.69 0.01 -3.80 7.64 -1.11 -4.74 113.62 110.83 3mgk n SER 125 Ca 0.02 -2.26 -0.10 0.00 1.01 0.00 0.00 58.87 57.54 3mgk n SER 125 Cb 0.23 -0.41 -0.04 0.00 -1.01 0.00 0.00 64.21 62.99 3mgk n SER 125 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 3mgk h PHE 126 N 2.89 -0.33 -0.29 1.43 3.57 -0.86 -1.05 116.94 122.29 3mgk h PHE 126 Ca 0.00 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.56 3mgk h PHE 126 Cb 1.06 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 39.92 3mgk h PHE 126 CO 0.44 -0.20 0.04 -0.22 -2.23 0.00 0.00 178.31 176.15 3mgk h LYS 127 N -0.18 0.13 -0.05 1.11 3.64 -1.85 0.75 116.57 120.12 3mgk h LYS 127 Ca 0.08 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3mgk h LYS 127 Cb 0.29 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 3mgk h LYS 127 CO -0.20 0.09 0.03 2.35 -2.27 0.00 0.00 179.45 179.45 3mgk h TRP 128 N 0.14 0.05 0.02 1.91 7.01 -1.80 -1.68 115.95 121.61 3mgk h TRP 128 Ca 0.14 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.14 3mgk h TRP 128 Cb 0.16 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.20 3mgk h TRP 128 CO -0.19 0.03 -0.01 0.28 -2.79 0.00 0.00 178.44 175.77 3mgk h VAL 129 N 0.06 1.25 -0.70 2.65 2.07 -0.99 -3.30 116.25 117.29 3mgk h VAL 129 Ca 0.02 -0.84 -0.07 0.00 0.82 0.00 0.00 66.70 66.63 3mgk h VAL 129 Cb -0.00 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 3mgk h VAL 129 CO -0.01 0.21 0.16 0.71 0.02 0.00 0.00 177.57 178.67 3mgk h THR 130 N -0.40 1.26 0.00 2.57 1.35 -0.72 -2.72 112.91 114.26 3mgk h THR 130 Ca -0.00 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 64.88 3mgk h THR 130 Cb 0.38 0.55 0.00 0.00 -1.73 0.00 0.00 68.15 67.34 3mgk h THR 130 CO 0.01 0.37 0.00 -0.62 -0.25 0.00 0.00 175.52 175.03 3mgk n GLU 131 N -4.23 0.08 0.12 4.72 1.02 -0.64 -1.38 120.64 120.33 3mgk n GLU 131 Ca 0.05 0.37 -0.02 0.00 -0.02 0.00 0.00 57.16 57.54 3mgk n GLU 131 Cb 0.26 -1.66 0.21 0.00 -0.02 0.00 0.00 31.44 30.22 3mgk n GLU 131 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 3mgk h GLN 132 N 0.00 0.14 -2.23 3.49 4.20 -1.56 -3.44 115.11 115.71 3mgk h GLN 132 Ca 0.00 -0.08 -0.26 0.00 0.06 0.00 0.00 58.65 58.37 3mgk h GLN 132 Cb 0.24 0.01 -0.33 0.00 0.30 0.00 0.00 27.48 27.69 3mgk h GLN 132 CO 0.00 0.62 -0.57 1.21 -0.67 0.00 0.00 178.83 179.42 3mgk s ASN 133 N -6.88 0.98 0.22 1.46 3.84 -0.48 -5.02 114.94 109.06 3mgk s ASN 133 Ca -0.03 -0.13 -0.02 0.00 0.21 0.00 0.00 52.86 52.89 3mgk s ASN 133 Cb 0.13 0.68 0.19 0.00 -0.55 0.00 0.00 41.25 41.70 3mgk s ASN 133 CO 0.77 -0.33 1.57 -0.33 -2.79 0.00 0.00 177.10 176.00 3mgk h GLU 134 N 8.26 0.56 0.00 0.43 5.08 -1.87 -3.30 114.58 123.74 3mgk h GLU 134 Ca -0.17 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3mgk h GLU 134 Cb 1.14 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.40 3mgk h GLU 134 CO 0.29 0.89 0.00 -0.25 -1.00 0.00 0.00 179.01 178.94 3mgk n ASP 135 N -4.01 0.00 -4.52 1.42 9.92 -1.26 -4.58 116.55 113.51 3mgk n ASP 135 Ca -0.02 -0.53 -0.34 0.00 -0.53 0.00 0.00 54.79 53.37 3mgk n ASP 135 Cb 0.53 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.90 3mgk n ASP 135 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3mgk s VAL 136 N -2.00 4.10 -1.05 2.53 1.01 -1.24 0.18 120.40 123.92 3mgk s VAL 136 Ca 0.05 -0.28 -0.18 0.00 0.00 0.00 0.00 61.98 61.57 3mgk s VAL 136 Cb 0.02 -2.82 -0.08 0.00 0.00 0.00 0.00 36.38 33.51 3mgk s VAL 136 CO 0.04 0.48 2.07 0.18 0.00 0.00 0.00 175.10 177.87 3mgk n LEU 137 N 3.63 5.26 -4.71 3.92 4.32 0.36 -4.93 117.00 124.86 3mgk n LEU 137 Ca -0.17 -3.38 -0.39 0.00 -0.02 0.00 0.00 56.01 52.05 3mgk n LEU 137 Cb 0.52 -1.32 0.03 0.00 -1.62 0.00 0.00 43.42 41.04 3mgk n LEU 137 CO 0.33 0.29 0.89 0.79 -1.22 0.00 0.00 177.39 178.47 3mgk n TRP 138 N 6.69 2.04 -4.10 -1.77 7.02 -1.26 -2.51 117.44 123.55 3mgk n TRP 138 Ca 0.51 0.45 -0.31 0.00 -1.02 0.00 0.00 57.50 57.13 3mgk n TRP 138 Cb 0.38 -2.34 -0.16 0.00 -2.42 0.00 0.00 31.31 26.77 3mgk n TRP 138 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 3mgk s VAL 139 N -1.29 1.73 -0.01 -0.99 1.01 0.20 -4.81 120.40 116.25 3mgk s VAL 139 Ca 0.69 -0.74 -0.19 0.00 0.00 0.00 0.00 61.98 61.74 3mgk s VAL 139 Cb -0.45 -1.60 -0.33 0.00 0.00 0.00 0.00 36.38 34.00 3mgk s VAL 139 CO 0.52 0.49 0.96 0.50 0.00 0.00 0.00 175.10 177.56 3mgk h LYS 140 N 7.95 0.43 0.00 2.72 1.63 -1.95 -3.38 116.57 123.97 3mgk h LYS 140 Ca -0.40 -0.72 -0.03 0.00 -0.85 0.00 0.00 60.65 58.66 3mgk h LYS 140 Cb 1.14 0.26 -0.00 0.00 -0.60 0.00 0.00 32.23 33.03 3mgk h LYS 140 CO 0.56 1.34 -1.09 -1.91 -3.45 0.00 0.00 179.45 174.90 3mgk n GLU 141 N -3.93 0.61 -1.94 1.90 2.13 -1.26 -4.88 120.64 113.27 3mgk n GLU 141 Ca -0.15 0.13 -0.39 0.00 0.66 0.00 0.00 57.16 57.41 3mgk n GLU 141 Cb 0.96 -1.82 0.02 0.00 0.27 0.00 0.00 31.44 30.87 3mgk n GLU 141 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3mgk s ALA 142 N -3.30 3.00 0.07 4.31 0.00 -1.25 -1.47 121.76 123.12 3mgk s ALA 142 Ca -0.01 1.25 -0.16 0.00 0.00 0.00 0.00 51.96 53.04 3mgk s ALA 142 Cb 0.09 -3.52 -0.17 0.00 0.00 0.00 0.00 23.12 19.53 3mgk s ALA 142 CO 0.80 -1.09 1.26 0.00 0.00 0.00 0.00 175.76 176.73 3mgk h ARG 143 N 1.96 0.64 -3.34 0.00 3.08 -1.00 -3.43 114.38 112.28 3mgk h ARG 143 Ca -0.50 -0.51 -0.06 0.00 0.07 0.00 0.00 59.98 58.98 3mgk h ARG 143 Cb 1.27 0.11 -0.14 0.00 0.08 0.00 0.00 29.97 31.29 3mgk h ARG 143 CO 0.59 1.13 -0.08 1.67 -1.07 0.00 0.00 179.97 182.21 3mgk s TRP 144 N -3.72 -0.21 -0.07 3.04 -2.14 -1.05 -1.48 118.94 113.31 3mgk s TRP 144 Ca -0.12 -0.07 0.02 0.00 2.66 0.00 0.00 56.10 58.59 3mgk s TRP 144 Cb 0.07 0.25 0.02 0.00 -3.10 0.00 0.00 33.47 30.70 3mgk s TRP 144 CO 0.86 -0.68 -0.10 0.08 -2.66 0.00 0.00 176.95 174.45 3mgk s VAL 145 N -3.59 1.03 -0.18 -0.66 1.01 0.34 -4.79 120.40 113.56 3mgk s VAL 145 Ca 0.02 -0.39 -0.10 0.00 0.00 0.00 0.00 61.98 61.51 3mgk s VAL 145 Cb 0.02 -0.97 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 3mgk s VAL 145 CO -0.10 0.34 0.15 -0.75 0.00 0.00 0.00 175.10 174.73 3mgk s LYS 146 N 0.89 4.06 -0.35 2.72 2.20 -1.26 -1.31 119.74 126.68 3mgk s LYS 146 Ca -0.11 -0.18 0.01 0.00 -0.36 0.00 0.00 55.97 55.34 3mgk s LYS 146 Cb -0.15 -3.38 0.14 0.00 -1.51 0.00 0.00 37.83 32.94 3mgk s LYS 146 CO 0.01 0.38 0.27 0.34 -0.36 0.00 0.00 175.35 175.99 3mgk s ASP 147 N 0.11 2.30 1.33 1.43 -1.08 0.40 -4.98 116.67 116.20 3mgk s ASP 147 Ca 0.10 -1.91 0.00 0.00 -0.52 0.00 0.00 52.55 50.22 3mgk s ASP 147 Cb -0.11 -0.03 0.00 0.00 -1.46 0.00 0.00 42.92 41.32 3mgk s ASP 147 CO -0.00 -0.30 0.00 0.61 0.52 0.00 0.00 175.17 176.00 3mgk n GLY 148 N 4.18 2.45 1.49 2.66 0.00 -1.26 -2.67 105.19 112.04 3mgk n GLY 148 Ca 0.11 -0.34 0.08 0.00 0.00 0.00 0.00 46.02 45.87 3mgk n GLY 148 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3mgk n ASN 149 N 8.14 4.40 -4.47 1.61 4.13 -1.26 -4.89 115.26 122.92 3mgk n ASN 149 Ca 0.00 -2.42 -0.35 0.00 1.68 0.00 0.00 54.58 53.49 3mgk n ASN 149 Cb 0.00 -0.56 -0.12 0.00 -1.54 0.00 0.00 39.78 37.56 3mgk n ASN 149 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3mgk s ILE 150 N -1.85 4.13 -0.18 2.41 1.01 -1.09 -1.73 121.20 123.90 3mgk s ILE 150 Ca 0.46 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.88 3mgk s ILE 150 Cb 0.30 -2.88 0.03 0.00 0.01 0.00 0.00 42.46 39.92 3mgk s ILE 150 CO 0.22 0.41 -0.16 -0.31 0.00 0.00 0.00 174.94 175.10 3mgk s TYR 151 N 1.09 2.57 0.06 3.97 2.02 0.48 -0.45 117.35 127.09 3mgk s TYR 151 Ca 0.03 -1.57 0.09 0.00 -0.37 0.00 0.00 57.07 55.26 3mgk s TYR 151 Cb -0.14 -1.77 -0.03 0.00 -0.40 0.00 0.00 41.96 39.61 3mgk s TYR 151 CO 0.02 -0.76 -0.26 0.95 -1.57 0.00 0.00 175.55 173.93 3mgk s THR 152 N 1.35 2.13 0.32 -0.71 -4.23 -0.43 -1.15 115.64 112.92 3mgk s THR 152 Ca 0.03 -1.43 0.03 0.00 -1.18 0.00 0.00 61.69 59.14 3mgk s THR 152 Cb -0.14 -1.83 -0.04 0.00 1.34 0.00 0.00 72.50 71.83 3mgk s THR 152 CO -0.11 0.33 0.13 -0.94 -0.54 0.00 0.00 174.62 173.48 3mgk s SER 153 N -1.34 1.81 0.00 3.99 1.04 -0.34 -0.50 113.70 118.36 3mgk s SER 153 Ca 0.12 -1.51 0.00 0.00 0.48 0.00 0.00 55.95 55.03 3mgk s SER 153 Cb -0.10 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.31 3mgk s SER 153 CO 0.03 -0.82 0.00 -1.20 0.98 0.00 0.00 173.24 172.22 3mgk n SER 154 N -0.86 0.00 -2.36 7.02 7.64 -0.55 -2.24 113.62 122.28 3mgk n SER 154 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 3mgk n SER 154 Cb 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 3mgk n SER 154 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mgk n GLY 155 N 5.00 -0.73 0.29 0.23 0.00 -1.26 -0.79 105.19 107.93 3mgk n GLY 155 Ca 0.00 -1.68 -0.10 0.00 0.00 0.00 0.00 46.02 44.23 3mgk n GLY 155 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3mgk h VAL 156 N -0.50 1.27 -0.17 1.61 -1.51 -1.98 -0.71 116.25 114.26 3mgk h VAL 156 Ca 0.00 -1.31 -0.01 0.00 -1.23 0.00 0.00 66.70 64.15 3mgk h VAL 156 Cb 0.00 1.02 -0.01 0.00 -2.13 0.00 0.00 31.29 30.17 3mgk h VAL 156 CO 0.00 0.46 0.08 0.28 -1.23 0.00 0.00 177.57 177.16 3mgk h SER 157 N 0.89 0.22 -0.74 4.19 0.02 -1.97 -2.51 113.55 113.66 3mgk h SER 157 Ca 0.13 -0.13 0.04 0.00 -0.84 0.00 0.00 61.79 60.99 3mgk h SER 157 Cb 0.72 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 63.16 3mgk h SER 157 CO 0.06 0.29 0.49 0.00 -1.14 0.00 0.00 176.83 176.52 3mgk h ALA 158 N 0.94 1.58 -0.38 3.77 0.00 -1.82 -0.95 119.26 122.40 3mgk h ALA 158 Ca 0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3mgk h ALA 158 Cb 0.12 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3mgk h ALA 158 CO -0.01 0.34 0.12 0.78 0.00 0.00 0.00 179.25 180.48 3mgk h GLY 159 N 0.89 0.64 0.91 0.00 0.00 -0.87 0.34 103.07 104.98 3mgk h GLY 159 Ca 0.30 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 47.18 3mgk h GLY 159 CO -0.09 0.36 -0.05 -2.22 0.00 0.00 0.00 176.54 174.54 3mgk h ILE 160 N 0.47 1.27 -0.78 2.60 2.04 -1.12 -1.96 117.51 120.03 3mgk h ILE 160 Ca 0.12 -1.07 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 3mgk h ILE 160 Cb 0.27 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 3mgk h ILE 160 CO -0.00 0.35 0.37 0.44 0.00 0.00 0.00 178.15 179.30 3mgk h ASP 161 N 0.39 1.03 -0.14 1.72 3.32 -1.09 -2.08 116.42 119.57 3mgk h ASP 161 Ca 0.09 -0.13 0.03 0.00 0.02 0.00 0.00 57.03 57.04 3mgk h ASP 161 Cb 0.53 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 3mgk h ASP 161 CO 0.03 0.87 -0.05 -0.03 -1.72 0.00 0.00 179.24 178.34 3mgk h MET 162 N 1.12 -0.03 -0.55 3.56 4.05 -0.27 -1.48 114.93 121.34 3mgk h MET 162 Ca 0.27 0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.76 3mgk h MET 162 Cb 0.13 0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 30.87 3mgk h MET 162 CO -0.03 -0.02 0.22 1.15 0.23 0.00 0.00 176.91 178.46 3mgk h THR 163 N -0.03 0.83 -0.21 -0.77 2.02 -0.98 0.38 112.91 114.16 3mgk h THR 163 Ca 0.07 -0.14 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 3mgk h THR 163 Cb 0.14 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 3mgk h THR 163 CO -0.16 0.08 0.01 -0.07 0.37 0.00 0.00 175.52 175.75 3mgk h LEU 164 N 0.41 0.28 -0.80 2.58 3.38 -1.21 -0.26 115.31 119.69 3mgk h LEU 164 Ca 0.26 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.12 3mgk h LEU 164 Cb 0.28 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3mgk h LEU 164 CO -0.25 0.32 -0.02 1.23 0.09 0.00 0.00 178.44 179.82 3mgk h GLY 165 N 0.57 0.95 0.95 0.83 0.00 0.36 -0.98 103.07 105.75 3mgk h GLY 165 Ca 0.07 -0.67 -0.08 0.00 0.00 0.00 0.00 47.33 46.65 3mgk h GLY 165 CO 0.00 0.62 -0.09 -2.75 0.00 0.00 0.00 176.54 174.32 3mgk h PHE 166 N 0.81 0.80 -0.89 5.60 3.57 0.60 -0.86 116.94 126.57 3mgk h PHE 166 Ca 0.15 -0.17 0.02 0.00 3.53 0.00 0.00 57.97 61.50 3mgk h PHE 166 Cb 0.51 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 3mgk h PHE 166 CO 0.03 0.86 0.58 0.82 -2.23 0.00 0.00 178.31 178.37 3mgk h ILE 167 N 0.50 1.19 -0.05 1.41 1.08 -0.96 -0.40 117.51 120.28 3mgk h ILE 167 Ca 0.09 -0.40 0.01 0.00 -0.39 0.00 0.00 64.86 64.17 3mgk h ILE 167 Cb 0.61 -0.08 -0.01 0.00 -3.07 0.00 0.00 36.82 34.27 3mgk h ILE 167 CO 0.04 0.21 -0.03 -0.08 -0.69 0.00 0.00 178.15 177.60 3mgk h GLU 168 N 1.17 -0.02 -0.70 2.37 4.81 -0.75 0.93 114.58 122.38 3mgk h GLU 168 Ca 0.34 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.60 3mgk h GLU 168 Cb -0.07 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 3mgk h GLU 168 CO -0.09 -0.02 0.46 -0.44 -0.73 0.00 0.00 179.01 178.20 3mgk h ASP 169 N -0.03 0.73 0.00 1.04 3.32 -0.85 -0.60 116.42 120.03 3mgk h ASP 169 Ca 0.03 -0.01 -0.37 0.00 0.02 0.00 0.00 57.03 56.70 3mgk h ASP 169 Cb 0.07 -0.17 -0.07 0.00 0.22 0.00 0.00 39.33 39.38 3mgk h ASP 169 CO -0.07 0.50 -2.40 -0.11 -1.72 0.00 0.00 179.24 175.44 3mgk n LEU 170 N -4.46 2.35 -0.01 1.55 -0.00 -0.19 -4.61 117.00 111.63 3mgk n LEU 170 Ca 0.09 -0.11 0.04 0.00 -0.00 0.00 0.00 56.01 56.03 3mgk n LEU 170 Cb 0.12 -0.59 -0.08 0.00 -0.00 0.00 0.00 43.42 42.87 3mgk n LEU 170 CO 0.35 0.83 -0.65 -0.38 -0.00 0.00 0.00 177.39 177.53 3mgk n ILE 171 N -3.12 0.08 0.00 1.96 2.08 0.31 -5.06 119.36 115.61 3mgk n ILE 171 Ca -0.42 -0.27 0.00 0.00 0.56 0.00 0.00 62.75 62.62 3mgk n ILE 171 Cb 1.00 0.14 0.00 0.00 -0.75 0.00 0.00 39.64 40.03 3mgk n ILE 171 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3mgk n GLY 172 N 1.94 2.77 0.24 7.39 0.00 -0.23 -4.73 105.19 112.56 3mgk n GLY 172 Ca -0.04 -1.59 0.09 0.00 0.00 0.00 0.00 46.02 44.49 3mgk n GLY 172 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3mgk h LYS 173 N 0.00 0.00 -0.88 1.61 3.64 -1.83 -1.27 116.57 117.84 3mgk h LYS 173 Ca 0.00 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 3mgk h LYS 173 Cb 0.00 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.77 3mgk h LYS 173 CO 0.00 0.17 0.57 0.93 -2.27 0.00 0.00 179.45 178.85 3mgk h GLU 174 N 0.00 1.08 -0.29 1.90 3.07 -1.93 -1.41 114.58 117.00 3mgk h GLU 174 Ca -0.00 -0.07 -0.03 0.00 -0.50 0.00 0.00 59.36 58.76 3mgk h GLU 174 Cb 0.36 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.02 3mgk h GLU 174 CO 0.02 0.72 0.05 0.87 -1.40 0.00 0.00 179.01 179.27 3mgk h LYS 175 N 1.11 0.47 -0.53 2.33 1.79 -1.52 -1.73 116.57 118.49 3mgk h LYS 175 Ca 0.35 -0.12 0.01 0.00 -2.18 0.00 0.00 60.65 58.71 3mgk h LYS 175 Cb 0.00 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.57 3mgk h LYS 175 CO -0.12 0.57 0.34 0.00 -1.08 0.00 0.00 179.45 179.17 3mgk h ALA 176 N 0.88 0.68 -0.68 3.86 0.00 -1.31 -1.12 119.26 121.56 3mgk h ALA 176 Ca 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3mgk h ALA 176 Cb 0.33 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3mgk h ALA 176 CO 0.00 0.08 0.33 -0.07 0.00 0.00 0.00 179.25 179.60 3mgk h LEU 177 N 0.69 0.86 -0.57 0.00 3.38 -1.24 -0.77 115.31 117.65 3mgk h LEU 177 Ca 0.20 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3mgk h LEU 177 Cb -0.04 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 3mgk h LEU 177 CO -0.06 0.72 0.25 -0.08 0.09 0.00 0.00 178.44 179.36 3mgk h GLU 178 N 0.95 0.84 -0.06 1.13 4.81 -0.56 -0.97 114.58 120.72 3mgk h GLU 178 Ca 0.24 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3mgk h GLU 178 Cb 0.09 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 3mgk h GLU 178 CO -0.03 0.71 0.02 0.82 -0.73 0.00 0.00 179.01 179.80 3mgk h ILE 179 N 0.78 1.16 -0.39 2.32 2.04 -0.57 -1.36 117.51 121.48 3mgk h ILE 179 Ca 0.19 -0.47 0.08 0.00 1.00 0.00 0.00 64.86 65.67 3mgk h ILE 179 Cb 0.17 1.35 -0.09 0.00 -0.74 0.00 0.00 36.82 37.52 3mgk h ILE 179 CO -0.02 0.13 -0.20 0.28 0.00 0.00 0.00 178.15 178.35 3mgk h SER 180 N -0.07 -0.67 -0.67 1.72 0.02 -0.95 -1.89 113.55 111.03 3mgk h SER 180 Ca 0.02 0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 61.06 3mgk h SER 180 Cb 0.19 0.36 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 3mgk h SER 180 CO -0.00 -0.23 0.19 0.03 -1.14 0.00 0.00 176.83 175.68 3mgk h ARG 181 N -0.13 1.06 -0.05 3.45 3.08 -1.08 -0.70 114.38 120.02 3mgk h ARG 181 Ca 0.19 -0.24 -0.16 0.00 0.07 0.00 0.00 59.98 59.84 3mgk h ARG 181 Cb 0.42 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3mgk h ARG 181 CO -0.47 0.93 -0.68 0.66 -1.07 0.00 0.00 179.97 179.34 3mgk h SER 182 N 0.99 0.26 0.30 7.04 4.64 -0.57 -2.92 113.55 123.30 3mgk h SER 182 Ca 0.22 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3mgk h SER 182 Cb 0.33 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 3mgk h SER 182 CO -0.00 0.86 -0.49 2.30 -0.87 0.00 0.00 176.83 178.63 3mgk n ILE 183 N -3.81 0.00 -3.17 0.95 -5.35 -0.78 -4.97 119.36 102.23 3mgk n ILE 183 Ca -0.03 -0.06 -0.14 0.00 -0.27 0.00 0.00 62.75 62.25 3mgk n ILE 183 Cb 0.67 0.48 0.07 0.00 -1.74 0.00 0.00 39.64 39.12 3mgk n ILE 183 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3mgk n GLU 184 N -1.10 -5.36 -4.10 6.28 1.02 -0.43 -5.04 120.64 111.92 3mgk n GLU 184 Ca 0.08 0.70 -0.34 0.00 -0.02 0.00 0.00 57.16 57.57 3mgk n GLU 184 Cb 0.35 -5.27 -0.10 0.00 -0.02 0.00 0.00 31.44 26.40 3mgk n GLU 184 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3mgk s TYR 185 N -3.30 3.21 -0.32 -0.32 5.04 -0.40 -5.05 117.35 116.22 3mgk s TYR 185 Ca 0.01 0.03 -0.23 0.00 -2.44 0.00 0.00 57.07 54.44 3mgk s TYR 185 Cb -0.00 -2.03 0.00 0.00 0.35 0.00 0.00 41.96 40.28 3mgk s TYR 185 CO 0.60 0.16 0.77 0.12 -1.34 0.00 0.00 175.55 175.86 3mgk s PHE 186 N 0.23 3.18 -0.35 4.97 5.36 -1.26 -4.60 117.98 125.51 3mgk s PHE 186 Ca 0.03 0.71 -0.12 0.00 -0.96 0.00 0.00 56.93 56.58 3mgk s PHE 186 Cb -0.13 -3.24 -0.01 0.00 -0.34 0.00 0.00 43.02 39.31 3mgk s PHE 186 CO 0.01 -0.60 0.23 -0.46 -1.46 0.00 0.00 175.22 172.93 3mgk s TRP 187 N 2.95 3.22 -0.54 10.12 -0.00 -1.26 -5.03 118.94 128.40 3mgk s TRP 187 Ca 0.31 -0.42 -0.26 0.00 -0.00 0.00 0.00 56.10 55.74 3mgk s TRP 187 Cb -0.14 -2.46 0.04 0.00 -0.00 0.00 0.00 33.47 30.91 3mgk s TRP 187 CO 0.14 -0.44 1.01 1.21 -0.00 0.00 0.00 176.95 178.87 3mgk s ASN 188 N 1.68 6.40 0.14 5.86 2.47 -1.26 -4.89 114.94 125.34 3mgk s ASN 188 Ca 0.05 -0.13 0.21 0.00 0.42 0.00 0.00 52.86 53.41 3mgk s ASN 188 Cb -0.18 -2.47 0.86 0.00 -1.45 0.00 0.00 41.25 38.01 3mgk s ASN 188 CO 0.09 -1.27 1.66 -0.62 -3.72 0.00 0.00 177.10 173.24 3mgk n GLU 189 N 7.69 0.12 -2.37 0.43 1.02 -1.26 -4.74 120.64 121.53 3mgk n GLU 189 Ca 0.05 0.30 -0.42 0.00 -0.02 0.00 0.00 57.16 57.07 3mgk n GLU 189 Cb 0.48 -1.71 -0.03 0.00 -0.02 0.00 0.00 31.44 30.17 3mgk n GLU 189 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3mgk s ASP 190 N -3.76 6.98 0.00 1.62 2.15 -1.26 -4.87 116.67 117.53 3mgk s ASP 190 Ca 0.07 1.93 0.20 0.00 0.43 0.00 0.00 52.55 55.18 3mgk s ASP 190 Cb 0.11 -2.56 -0.01 0.00 -0.30 0.00 0.00 42.92 40.15 3mgk s ASP 190 CO 0.39 -0.62 1.00 -1.54 -0.17 0.00 0.00 175.17 174.22 3mgk n SER 191 N 5.16 1.87 -0.07 -0.34 3.41 -1.26 -4.69 113.62 117.70 3mgk n SER 191 Ca 0.12 -1.43 -0.04 0.00 -0.26 0.00 0.00 58.87 57.25 3mgk n SER 191 Cb 0.45 0.49 -0.15 0.00 -0.26 0.00 0.00 64.21 64.74 3mgk n SER 191 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3mgk n ASN 192 N -0.08 0.50 -4.17 4.04 3.02 -1.26 -0.52 115.26 116.79 3mgk n ASN 192 Ca 0.08 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.28 3mgk n ASN 192 Cb 0.42 1.21 -0.13 0.00 -0.61 0.00 0.00 39.78 40.66 3mgk n ASN 192 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3mgk s TYR 193 N -2.69 3.35 -0.40 3.10 5.04 -1.26 -3.94 117.35 120.55 3mgk s TYR 193 Ca -0.09 -1.97 -0.19 0.00 -2.44 0.00 0.00 57.07 52.39 3mgk s TYR 193 Cb 0.07 -2.40 0.01 0.00 0.35 0.00 0.00 41.96 40.00 3mgk s TYR 193 CO 0.77 -0.84 0.56 0.34 -1.34 0.00 0.00 175.55 175.04 3mgk s ASP 194 N 1.39 6.30 0.58 4.32 -1.08 -0.54 -4.74 116.67 122.91 3mgk s ASP 194 Ca -0.01 -0.26 0.33 0.00 -0.52 0.00 0.00 52.55 52.08 3mgk s ASP 194 Cb -0.20 -2.28 1.80 0.00 -1.46 0.00 0.00 42.92 40.77 3mgk s ASP 194 CO -0.01 -0.62 2.20 1.55 0.52 0.00 0.00 175.17 178.80 3mgk h PRO 195 N 8.67 0.00 0.00 4.34 0.13 -1.97 -1.37 132.00 141.80 3mgk h PRO 195 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 3mgk h PRO 195 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3mgk h PRO 195 CO 0.83 0.04 0.00 0.74 -0.23 0.00 0.00 178.00 179.38 3mgk h PHE 196 N 0.00 0.00 -0.19 1.56 0.04 -1.96 -2.92 116.94 113.47 3mgk h PHE 196 Ca -0.00 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.82 3mgk h PHE 196 Cb 0.16 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 3mgk h PHE 196 CO 0.00 0.00 0.19 0.77 -0.60 0.00 0.00 178.31 178.67 3mgk h SER 197 N 0.00 0.00 0.81 2.17 0.02 -1.58 -3.20 113.55 111.77 3mgk h SER 197 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 3mgk h SER 197 Cb 0.70 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.25 3mgk h SER 197 CO 0.00 0.00 -0.39 0.50 -1.14 0.00 0.00 176.83 175.80 3mgk h LYS 198 N 0.00 -1.05 0.00 3.45 3.64 -1.67 -3.11 116.57 117.84 3mgk h LYS 198 Ca 0.09 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3mgk h LYS 198 Cb 0.47 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 3mgk h LYS 198 CO -0.00 -0.70 0.00 1.51 -2.27 0.00 0.00 179.45 177.99 3mgk n ILE 199 N -5.55 0.40 0.51 2.00 0.13 -1.21 -5.20 119.36 110.44 3mgk n ILE 199 Ca -0.15 0.10 0.06 0.00 -1.10 0.00 0.00 62.75 61.66 3mgk n ILE 199 Cb 0.44 -0.82 0.05 0.00 -0.84 0.00 0.00 39.64 38.47 3mgk n ILE 199 CO 0.00 0.00 0.00 -1.22 2.80 0.00 0.00 176.55 178.13