#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mgk s TYR 3 N 0.00 1.16 -0.24 1.43 2.02 -0.55 -3.73 117.35 117.46 3mgk s TYR 3 Ca 0.00 -0.25 -0.10 0.00 -0.37 0.00 0.00 57.07 56.34 3mgk s TYR 3 Cb 0.00 -0.73 -0.05 0.00 -0.40 0.00 0.00 41.96 40.78 3mgk s TYR 3 CO 0.00 -0.01 0.16 0.50 -1.57 0.00 0.00 175.55 174.63 3mgk s ARG 4 N -0.52 4.08 -0.26 -0.62 3.52 -0.35 -0.75 118.95 124.04 3mgk s ARG 4 Ca 0.04 -0.26 -0.14 0.00 -0.13 0.00 0.00 55.73 55.24 3mgk s ARG 4 Cb -0.06 -3.52 -0.04 0.00 -1.56 0.00 0.00 34.95 29.77 3mgk s ARG 4 CO -0.00 0.09 0.32 0.42 -0.81 0.00 0.00 175.30 175.32 3mgk s ILE 5 N 0.98 5.22 -0.54 4.11 1.01 0.03 -0.70 121.20 131.30 3mgk s ILE 5 Ca 0.08 0.48 -0.16 0.00 0.00 0.00 0.00 60.65 61.04 3mgk s ILE 5 Cb -0.13 -3.65 0.12 0.00 0.01 0.00 0.00 42.46 38.80 3mgk s ILE 5 CO 0.04 0.20 0.52 -1.81 0.00 0.00 0.00 174.94 173.88 3mgk s ASP 6 N 1.58 6.18 -0.43 3.58 1.01 0.14 -0.63 116.67 128.11 3mgk s ASP 6 Ca 0.13 -1.66 -0.22 0.00 0.71 0.00 0.00 52.55 51.52 3mgk s ASP 6 Cb -0.16 -2.22 0.02 0.00 1.01 0.00 0.00 42.92 41.57 3mgk s ASP 6 CO 0.10 -0.86 0.69 -0.69 0.21 0.00 0.00 175.17 174.61 3mgk s VAL 7 N 1.77 4.78 -0.39 -1.27 1.01 -0.23 -1.23 120.40 124.83 3mgk s VAL 7 Ca 0.05 0.32 -0.22 0.00 0.00 0.00 0.00 61.98 62.12 3mgk s VAL 7 Cb -0.28 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 31.89 3mgk s VAL 7 CO 0.04 -0.59 0.71 -0.22 0.00 0.00 0.00 175.10 175.05 3mgk s LEU 8 N 2.96 4.26 0.11 3.92 2.96 -0.71 -1.48 118.68 130.70 3mgk s LEU 8 Ca 0.26 0.05 0.01 0.00 -0.22 0.00 0.00 54.13 54.23 3mgk s LEU 8 Cb -0.13 -2.88 -0.04 0.00 0.50 0.00 0.00 46.19 43.64 3mgk s LEU 8 CO 0.19 -0.74 0.25 -0.76 -1.32 0.00 0.00 176.35 173.98 3mgk s LEU 9 N 2.97 4.35 0.18 -0.68 1.43 -0.22 -4.37 118.68 122.34 3mgk s LEU 9 Ca 0.27 0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 53.46 3mgk s LEU 9 Cb -0.13 -2.95 0.02 0.00 0.03 0.00 0.00 46.19 43.15 3mgk s LEU 9 CO 0.18 0.11 0.43 0.72 0.23 0.00 0.00 176.35 178.01 3mgk s PHE 10 N -1.63 0.04 0.22 0.29 -0.71 -1.26 -4.46 117.98 110.47 3mgk s PHE 10 Ca 0.35 -0.39 -0.32 0.00 -1.04 0.00 0.00 56.93 55.53 3mgk s PHE 10 Cb -0.12 0.23 -0.13 0.00 -1.21 0.00 0.00 43.02 41.79 3mgk s PHE 10 CO 0.28 -0.82 1.61 -1.71 -1.34 0.00 0.00 175.22 173.24 3mgk n ASN 11 N -0.28 3.54 -3.63 1.98 2.85 -1.26 -2.06 115.26 116.40 3mgk n ASN 11 Ca -0.10 1.10 -0.25 0.00 -0.11 0.00 0.00 54.58 55.22 3mgk n ASN 11 Cb 0.63 -1.52 0.07 0.00 1.24 0.00 0.00 39.78 40.19 3mgk n ASN 11 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 3mgk n LYS 12 N 3.08 -7.33 -0.96 1.20 5.02 0.32 -3.90 118.16 115.60 3mgk n LYS 12 Ca 0.14 0.79 -0.31 0.00 -2.02 0.00 0.00 58.31 56.90 3mgk n LYS 12 Cb 0.33 -5.80 0.13 0.00 -0.02 0.00 0.00 35.03 29.67 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 -3.30 2.01 -0.18 2.13 -0.12 -0.88 -1.52 117.98 116.12 3mgk s PHE 13 Ca 0.59 1.69 -0.25 0.00 -0.05 0.00 0.00 56.93 58.92 3mgk s PHE 13 Cb -0.27 -3.24 -0.01 0.00 -0.63 0.00 0.00 43.02 38.87 3mgk s PHE 13 CO 0.73 -2.41 0.81 -2.00 -0.05 0.00 0.00 175.22 172.31 3mgk s GLU 14 N -4.71 4.27 0.15 1.99 2.56 -0.69 -1.43 118.70 120.84 3mgk s GLU 14 Ca 0.65 0.97 -0.24 0.00 0.00 0.00 0.00 54.97 56.35 3mgk s GLU 14 Cb -0.21 -3.59 0.02 0.00 2.00 0.00 0.00 34.13 32.36 3mgk s GLU 14 CO 0.56 -0.35 1.61 1.15 -0.56 0.00 0.00 175.26 177.67 3mgk h THR 15 N 5.23 0.29 0.00 -1.70 2.02 -1.94 -2.75 112.91 114.06 3mgk h THR 15 Ca -0.28 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 66.82 3mgk h THR 15 Cb 1.13 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 3mgk h THR 15 CO 0.84 0.00 -0.38 0.25 0.37 0.00 0.00 175.52 176.60 3mgk h LEU 16 N -0.31 0.00 -0.99 2.58 5.85 -1.97 0.20 115.31 120.68 3mgk h LEU 16 Ca 0.13 0.00 0.17 0.00 0.84 0.00 0.00 57.88 59.03 3mgk h LEU 16 Cb 0.52 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 41.45 3mgk h LEU 16 CO -0.43 0.38 0.59 0.44 -0.34 0.00 0.00 178.44 179.08 3mgk h ASP 17 N 0.00 0.78 0.00 1.25 5.19 -1.84 -2.37 116.42 119.42 3mgk h ASP 17 Ca -0.00 0.09 -0.18 0.00 -0.62 0.00 0.00 57.03 56.31 3mgk h ASP 17 Cb 0.86 -0.05 -0.03 0.00 0.18 0.00 0.00 39.33 40.29 3mgk h ASP 17 CO 0.05 0.30 -1.04 0.58 -3.12 0.00 0.00 179.24 176.01 3mgk h VAL 18 N 0.78 0.89 0.00 -1.35 2.07 -1.25 -3.40 116.25 114.00 3mgk h VAL 18 Ca 0.55 -2.06 0.00 0.00 0.82 0.00 0.00 66.70 66.02 3mgk h VAL 18 Cb 0.81 2.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 3mgk h VAL 18 CO -0.36 0.30 -0.28 -0.26 0.02 0.00 0.00 177.57 176.99 3mgk h PHE 19 N -1.00 0.00 0.90 1.57 0.04 -0.60 -1.91 116.94 115.94 3mgk h PHE 19 Ca -0.27 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.45 3mgk h PHE 19 Cb 1.17 0.00 0.01 0.00 2.20 0.00 0.00 35.95 39.33 3mgk h PHE 19 CO 0.08 0.00 -0.43 0.78 -0.60 0.00 0.00 178.31 178.14 3mgk h GLY 20 N 4.25 -1.27 1.44 -1.45 0.00 -1.65 -1.83 103.07 102.56 3mgk h GLY 20 Ca 0.00 0.47 -0.02 0.00 0.00 0.00 0.00 47.33 47.78 3mgk h GLY 20 CO 0.00 -0.46 0.22 -2.55 0.00 0.00 0.00 176.54 173.75 3mgk h PRO 21 N -1.29 0.73 -0.66 4.80 0.11 -1.76 -2.22 132.00 131.71 3mgk h PRO 21 Ca -0.12 -0.10 -0.02 0.00 0.11 0.00 0.00 66.00 65.87 3mgk h PRO 21 Cb 0.93 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.88 3mgk h PRO 21 CO 0.20 0.58 0.33 0.28 -0.21 0.00 0.00 178.00 179.19 3mgk h VAL 22 N 0.72 1.21 -0.48 3.15 2.07 -1.32 -0.44 116.25 121.15 3mgk h VAL 22 Ca 0.18 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 67.18 3mgk h VAL 22 Cb 0.11 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.19 3mgk h VAL 22 CO -0.02 0.24 0.26 -0.08 0.02 0.00 0.00 177.57 177.99 3mgk h GLU 23 N 0.92 0.50 0.27 1.57 4.57 -0.70 0.30 114.58 122.02 3mgk h GLU 23 Ca 0.23 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.37 3mgk h GLU 23 Cb 0.06 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 3mgk h GLU 23 CO -0.03 0.33 -0.13 0.82 -1.18 0.00 0.00 179.01 178.82 3mgk h ILE 24 N 0.52 0.00 -0.83 2.32 1.08 -1.03 -2.97 117.51 116.60 3mgk h ILE 24 Ca 0.20 -0.03 0.19 0.00 -0.39 0.00 0.00 64.86 64.83 3mgk h ILE 24 Cb 0.08 0.00 -0.12 0.00 -3.07 0.00 0.00 36.82 33.71 3mgk h ILE 24 CO -0.12 0.00 0.31 -0.26 -0.69 0.00 0.00 178.15 177.38 3mgk h PHE 25 N -0.40 0.51 0.00 1.37 0.04 -1.13 0.31 116.94 117.64 3mgk h PHE 25 Ca -0.04 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3mgk h PHE 25 Cb 0.28 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.33 3mgk h PHE 25 CO 0.14 -0.04 0.00 0.41 -0.60 0.00 0.00 178.31 178.22 3mgk n GLY 26 N -1.34 -0.80 0.69 -1.45 0.00 0.10 -0.51 105.19 101.88 3mgk n GLY 26 Ca 0.18 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.30 2.11 -3.12 1.61 3.02 0.10 -4.34 115.26 113.33 3mgk n ASN 27 Ca 0.07 -1.74 -0.24 0.00 -0.03 0.00 0.00 54.58 52.63 3mgk n ASN 27 Cb 0.12 -0.08 -0.05 0.00 -0.61 0.00 0.00 39.78 39.16 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 0.62 3.00 0.00 3.41 4.77 0.33 -4.94 117.00 124.20 3mgk n LEU 28 Ca 0.17 -5.37 0.12 0.00 -0.03 0.00 0.00 56.01 50.90 3mgk n LEU 28 Cb 0.42 -0.14 0.64 0.00 -2.33 0.00 0.00 43.42 42.02 3mgk n LEU 28 CO 0.15 2.25 0.90 0.00 -1.33 0.00 0.00 177.39 179.36 3mgk n GLN 29 N 0.26 0.46 0.09 3.23 6.02 -1.26 -1.68 117.38 124.51 3mgk n GLN 29 Ca 0.28 0.04 0.12 0.00 -0.01 0.00 0.00 57.00 57.43 3mgk n GLN 29 Cb 0.48 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 30.28 3mgk n GLN 29 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3mgk n ASP 30 N -1.21 0.79 -0.12 1.08 8.00 -1.26 -4.39 116.55 119.44 3mgk n ASP 30 Ca 0.13 0.23 -0.16 0.00 0.71 0.00 0.00 54.79 55.70 3mgk n ASP 30 Cb 0.16 0.41 -0.13 0.00 -0.02 0.00 0.00 41.12 41.54 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 -2.48 1.47 -4.19 -2.24 8.00 -0.67 -4.54 116.55 111.90 3mgk n ASP 31 Ca 0.01 -0.10 -0.25 0.00 0.71 0.00 0.00 54.79 55.16 3mgk n ASP 31 Cb 0.51 -0.05 -0.15 0.00 -0.02 0.00 0.00 41.12 41.42 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 -2.51 1.63 -0.20 1.24 0.08 -0.70 -1.47 117.98 116.04 3mgk s PHE 32 Ca -0.28 -0.32 -0.06 0.00 0.12 0.00 0.00 56.93 56.38 3mgk s PHE 32 Cb 0.08 -1.03 -0.03 0.00 -0.57 0.00 0.00 43.02 41.47 3mgk s PHE 32 CO 0.66 0.00 0.03 -2.00 -0.10 0.00 0.00 175.22 173.81 3mgk s GLU 33 N -0.64 3.76 0.03 0.44 2.12 0.07 -4.44 118.70 120.04 3mgk s GLU 33 Ca 0.07 -0.45 -0.28 0.00 0.36 0.00 0.00 54.97 54.67 3mgk s GLU 33 Cb -0.07 -3.15 -0.04 0.00 0.26 0.00 0.00 34.13 31.12 3mgk s GLU 33 CO -0.00 0.10 0.89 -0.51 -0.54 0.00 0.00 175.26 175.20 3mgk s LEU 34 N 0.81 4.42 -0.22 2.70 1.43 -1.26 -0.79 118.68 125.77 3mgk s LEU 34 Ca 0.02 1.59 -0.03 0.00 -1.03 0.00 0.00 54.13 54.68 3mgk s LEU 34 Cb -0.14 -3.44 0.07 0.00 0.03 0.00 0.00 46.19 42.71 3mgk s LEU 34 CO 0.02 -0.12 0.07 0.21 0.23 0.00 0.00 176.35 176.75 3mgk s ASN 35 N 0.45 3.06 -0.26 2.29 2.47 0.20 -4.92 114.94 118.21 3mgk s ASN 35 Ca 0.46 -0.97 -0.24 0.00 0.42 0.00 0.00 52.86 52.53 3mgk s ASN 35 Cb -0.21 -0.54 -0.01 0.00 -1.45 0.00 0.00 41.25 39.04 3mgk s ASN 35 CO 0.26 -0.35 0.79 -0.36 -3.72 0.00 0.00 177.10 173.73 3mgk s PHE 36 N 1.90 3.27 0.24 0.43 0.08 -1.26 -1.07 117.98 121.57 3mgk s PHE 36 Ca 0.02 0.99 0.07 0.00 0.12 0.00 0.00 56.93 58.14 3mgk s PHE 36 Cb -0.17 -3.08 -0.05 0.00 -0.57 0.00 0.00 43.02 39.15 3mgk s PHE 36 CO -0.14 -0.44 -0.11 0.96 -0.10 0.00 0.00 175.22 175.39 3mgk s ILE 37 N 2.84 1.70 0.37 0.64 -4.36 -0.55 -0.88 121.20 120.96 3mgk s ILE 37 Ca 0.33 -2.18 -0.03 0.00 -0.26 0.00 0.00 60.65 58.51 3mgk s ILE 37 Cb -0.15 -2.23 0.01 0.00 1.25 0.00 0.00 42.46 41.34 3mgk s ILE 37 CO 0.09 -0.46 0.54 -1.54 0.24 0.00 0.00 174.94 173.82 3mgk n SER 38 N -0.48 -1.52 -0.09 4.36 3.41 -0.83 -1.05 113.62 117.42 3mgk n SER 38 Ca -0.07 -2.93 -0.14 0.00 -0.26 0.00 0.00 58.87 55.47 3mgk n SER 38 Cb 0.62 2.78 -0.04 0.00 -0.26 0.00 0.00 64.21 67.31 3mgk n SER 38 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3mgk h SER 39 N 2.05 0.87 0.34 4.04 4.64 -1.89 -3.33 113.55 120.27 3mgk h SER 39 Ca -0.29 -0.50 -0.32 0.00 -0.47 0.00 0.00 61.79 60.21 3mgk h SER 39 Cb 1.24 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 63.05 3mgk h SER 39 CO 0.39 1.20 -1.80 0.44 -0.87 0.00 0.00 176.83 176.18 3mgk h ASP 40 N 0.57 0.20 -4.68 4.97 3.32 -1.95 -3.48 116.42 115.37 3mgk h ASP 40 Ca 0.04 -0.44 0.00 0.00 0.02 0.00 0.00 57.03 56.65 3mgk h ASP 40 Cb 0.99 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.47 3mgk h ASP 40 CO 0.09 1.39 0.00 0.61 -1.72 0.00 0.00 179.24 179.61 3mgk n GLY 41 N 1.74 -3.35 7.00 2.75 0.00 -1.25 -4.81 105.19 107.28 3mgk n GLY 41 Ca -0.23 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.26 0.09 3.70 -0.02 0.00 0.94 -4.82 105.19 104.83 3mgk n GLY 42 Ca 0.00 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 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 4.35 -0.08 0.99 1.43 -1.26 -1.00 118.68 123.11 3mgk s LEU 43 Ca 0.00 2.21 0.04 0.00 -1.03 0.00 0.00 54.13 55.35 3mgk s LEU 43 Cb 0.00 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.63 3mgk s LEU 43 CO 0.00 -0.66 -0.20 -0.69 0.23 0.00 0.00 176.35 175.03 3mgk s VAL 44 N 1.65 2.48 -0.16 -1.59 1.01 0.55 -4.89 120.40 119.45 3mgk s VAL 44 Ca 0.64 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 61.64 3mgk s VAL 44 Cb -0.34 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 3mgk s VAL 44 CO 0.29 0.56 0.11 -0.70 0.00 0.00 0.00 175.10 175.35 3mgk s GLU 45 N -0.08 3.75 0.76 2.72 2.12 -1.26 -1.75 118.70 124.96 3mgk s GLU 45 Ca -0.05 -0.23 -0.12 0.00 0.36 0.00 0.00 54.97 54.93 3mgk s GLU 45 Cb -0.14 -3.23 0.05 0.00 0.26 0.00 0.00 34.13 31.07 3mgk s GLU 45 CO 0.04 0.51 1.13 -1.54 -0.54 0.00 0.00 175.26 174.86 3mgk s SER 46 N -0.26 4.95 0.54 -1.70 1.04 0.10 -0.52 113.70 117.85 3mgk s SER 46 Ca 0.10 0.99 0.32 0.00 0.48 0.00 0.00 55.95 57.84 3mgk s SER 46 Cb -0.12 -1.65 1.49 0.00 0.10 0.00 0.00 66.02 65.85 3mgk s SER 46 CO 0.01 -1.64 2.05 0.28 0.98 0.00 0.00 173.24 174.92 3mgk h SER 47 N -0.87 0.00 -0.56 7.02 0.02 -1.44 -0.71 113.55 117.01 3mgk h SER 47 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3mgk h SER 47 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 3mgk h SER 47 CO 0.64 0.07 0.00 0.00 -1.14 0.00 0.00 176.83 176.41 3mgk n GLN 48 N -3.30 2.59 -1.10 3.45 3.00 -1.26 -4.95 117.38 115.80 3mgk n GLN 48 Ca -0.01 -2.13 -0.01 0.00 -0.01 0.00 0.00 57.00 54.85 3mgk n GLN 48 Cb 0.27 -1.54 -0.00 0.00 0.00 0.00 0.00 30.24 28.96 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 1.08 -0.04 -3.16 -1.09 4.76 -0.27 -5.03 118.16 114.41 3mgk n LYS 49 Ca 0.20 0.47 -0.39 0.00 -2.87 0.00 0.00 58.31 55.72 3mgk n LYS 49 Cb 0.56 -4.00 -0.05 0.00 -1.84 0.00 0.00 35.03 29.70 3mgk n LYS 49 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3mgk s VAL 50 N -2.02 5.09 -0.23 -0.18 1.01 -1.26 -4.82 120.40 117.98 3mgk s VAL 50 Ca 0.00 1.21 -0.07 0.00 0.00 0.00 0.00 61.98 63.11 3mgk s VAL 50 Cb 0.00 -3.94 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 3mgk s VAL 50 CO 0.00 0.24 0.07 -0.13 0.00 0.00 0.00 175.10 175.28 3mgk s ARG 51 N 1.03 3.72 0.06 2.72 0.52 -1.26 -0.72 118.95 125.01 3mgk s ARG 51 Ca 0.31 -0.45 0.07 0.00 -0.52 0.00 0.00 55.73 55.14 3mgk s ARG 51 Cb -0.16 -3.30 -0.03 0.00 0.52 0.00 0.00 34.95 31.98 3mgk s ARG 51 CO 0.13 -0.09 -0.19 0.08 0.02 0.00 0.00 175.30 175.25 3mgk s VAL 52 N 1.36 1.55 0.02 3.52 1.01 -0.72 -4.90 120.40 122.24 3mgk s VAL 52 Ca 0.05 -1.27 -0.16 0.00 0.00 0.00 0.00 61.98 60.60 3mgk s VAL 52 Cb -0.15 -1.38 -0.06 0.00 0.00 0.00 0.00 36.38 34.80 3mgk s VAL 52 CO 0.04 0.07 0.45 -0.70 0.00 0.00 0.00 175.10 174.96 3mgk s GLU 53 N -1.41 4.00 0.14 2.72 2.12 -1.26 -0.33 118.70 124.68 3mgk s GLU 53 Ca 0.06 0.50 0.03 0.00 0.36 0.00 0.00 54.97 55.92 3mgk s GLU 53 Cb -0.09 -3.23 -0.04 0.00 0.26 0.00 0.00 34.13 31.03 3mgk s GLU 53 CO 0.02 0.67 -0.07 0.95 -0.54 0.00 0.00 175.26 176.30 3mgk s THR 54 N -1.05 0.92 0.48 -1.70 -4.23 -0.17 -4.82 115.64 105.06 3mgk s THR 54 Ca 0.25 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.80 3mgk s THR 54 Cb -0.17 -1.87 -0.03 0.00 1.34 0.00 0.00 72.50 71.77 3mgk s THR 54 CO 0.15 -0.72 0.07 -0.94 -0.54 0.00 0.00 174.62 172.64 3mgk s SER 55 N -3.14 4.17 0.47 3.99 1.04 -0.06 -0.04 113.70 120.13 3mgk s SER 55 Ca 0.17 -1.48 -0.19 0.00 0.48 0.00 0.00 55.95 54.93 3mgk s SER 55 Cb 0.04 0.19 -0.09 0.00 0.10 0.00 0.00 66.02 66.26 3mgk s SER 55 CO -0.00 -0.76 0.98 -0.76 0.98 0.00 0.00 173.24 173.68 3mgk s LEU 56 N -3.89 3.82 0.35 2.42 1.43 -1.26 -1.96 118.68 119.58 3mgk s LEU 56 Ca 0.20 1.70 -0.28 0.00 -1.03 0.00 0.00 54.13 54.71 3mgk s LEU 56 Cb 0.03 -4.53 -0.10 0.00 0.03 0.00 0.00 46.19 41.62 3mgk s LEU 56 CO 0.11 -0.53 1.37 -0.47 0.23 0.00 0.00 176.35 177.05 3mgk s TYR 57 N -2.29 2.88 -0.01 0.29 6.14 -1.26 -4.93 117.35 118.17 3mgk s TYR 57 Ca 0.62 1.33 0.01 0.00 0.64 0.00 0.00 57.07 59.68 3mgk s TYR 57 Cb -0.11 -3.80 0.00 0.00 0.42 0.00 0.00 41.96 38.48 3mgk s TYR 57 CO 0.20 -2.25 -0.04 0.95 0.64 0.00 0.00 175.55 175.05 3mgk s THR 58 N -1.14 0.35 0.29 4.34 -4.23 -1.26 -5.13 115.64 108.86 3mgk s THR 58 Ca 0.51 -0.16 -0.29 0.00 -1.18 0.00 0.00 61.69 60.57 3mgk s THR 58 Cb -0.42 -0.32 -0.10 0.00 1.34 0.00 0.00 72.50 73.00 3mgk s THR 58 CO 0.56 0.12 1.19 -0.13 -0.54 0.00 0.00 174.62 175.82 3mgk s ARG 59 N 0.10 4.52 -0.07 3.99 0.52 -1.26 -5.05 118.95 121.70 3mgk s ARG 59 Ca -0.01 1.97 -0.10 0.00 -0.52 0.00 0.00 55.73 57.07 3mgk s ARG 59 Cb -0.04 -3.15 0.02 0.00 0.52 0.00 0.00 34.95 32.30 3mgk s ARG 59 CO -0.00 0.03 0.26 0.34 0.02 0.00 0.00 175.30 175.95 3mgk s ASP 60 N -0.64 -0.23 0.00 0.23 -1.08 -1.26 -5.05 116.67 108.65 3mgk s ASP 60 Ca 0.47 0.36 0.03 0.00 -0.52 0.00 0.00 52.55 52.89 3mgk s ASP 60 Cb -0.35 0.46 0.06 0.00 -1.46 0.00 0.00 42.92 41.63 3mgk s ASP 60 CO 0.45 -0.20 0.87 -0.62 0.52 0.00 0.00 175.17 176.19 3mgk n GLU 61 N 2.41 1.42 0.00 4.34 1.02 -1.26 -4.51 120.64 124.06 3mgk n GLU 61 Ca -0.16 -1.24 0.13 0.00 -0.02 0.00 0.00 57.16 55.88 3mgk n GLU 61 Cb 0.57 -1.07 0.43 0.00 -0.02 0.00 0.00 31.44 31.35 3mgk n GLU 61 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3mgk n ASN 62 N -0.04 0.37 -3.87 1.62 3.02 -1.26 -4.88 115.26 110.22 3mgk n ASN 62 Ca 0.03 -0.10 -0.12 0.00 -0.03 0.00 0.00 54.58 54.36 3mgk n ASN 62 Cb 0.20 -0.04 -0.14 0.00 -0.61 0.00 0.00 39.78 39.19 3mgk n ASN 62 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 3mgk s ILE 63 N -2.89 0.00 0.46 2.41 2.07 -1.26 -5.06 121.20 116.94 3mgk s ILE 63 Ca 0.15 -0.01 -0.21 0.00 -1.41 0.00 0.00 60.65 59.17 3mgk s ILE 63 Cb 0.18 -0.03 -0.08 0.00 0.13 0.00 0.00 42.46 42.66 3mgk s ILE 63 CO 0.60 -0.00 1.05 -1.61 -1.91 0.00 0.00 174.94 173.07 3mgk s GLU 64 N -0.00 3.87 0.17 3.50 2.02 -1.24 -4.85 118.70 122.16 3mgk s GLU 64 Ca -0.00 1.44 0.11 0.00 0.02 0.00 0.00 54.97 56.54 3mgk s GLU 64 Cb -0.00 -2.22 -0.04 0.00 0.10 0.00 0.00 34.13 31.96 3mgk s GLU 64 CO 0.00 -0.39 -0.23 0.15 0.02 0.00 0.00 175.26 174.81 3mgk s LYS 65 N -3.01 1.54 -0.11 1.61 1.02 -1.26 -1.21 119.74 118.31 3mgk s LYS 65 Ca 0.65 -1.44 0.02 0.00 0.02 0.00 0.00 55.97 55.22 3mgk s LYS 65 Cb -0.19 -1.90 0.01 0.00 -0.52 0.00 0.00 37.83 35.24 3mgk s LYS 65 CO 0.23 0.42 -0.15 0.42 -0.92 0.00 0.00 175.35 175.35 3mgk s ILE 66 N -1.48 1.48 -0.26 2.17 1.01 0.12 -0.54 121.20 123.71 3mgk s ILE 66 Ca 0.19 -0.63 -0.11 0.00 0.00 0.00 0.00 60.65 60.10 3mgk s ILE 66 Cb -0.09 -1.36 -0.05 0.00 0.01 0.00 0.00 42.46 40.98 3mgk s ILE 66 CO 0.09 0.44 0.21 -0.22 0.00 0.00 0.00 174.94 175.45 3mgk s LEU 67 N 1.00 4.07 -0.17 2.97 2.96 -0.26 0.27 118.68 129.52 3mgk s LEU 67 Ca -0.06 0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 53.93 3mgk s LEU 67 Cb -0.15 -2.16 -0.01 0.00 0.50 0.00 0.00 46.19 44.37 3mgk s LEU 67 CO -0.02 -0.02 -0.10 0.12 -1.32 0.00 0.00 176.35 175.02 3mgk s PHE 68 N 1.47 2.88 -0.20 5.38 5.36 -0.37 -0.54 117.98 131.96 3mgk s PHE 68 Ca 0.09 -0.86 0.00 0.00 -0.96 0.00 0.00 56.93 55.20 3mgk s PHE 68 Cb -0.15 -1.97 0.05 0.00 -0.34 0.00 0.00 43.02 40.62 3mgk s PHE 68 CO 0.08 -0.41 -0.06 0.08 -1.46 0.00 0.00 175.22 173.45 3mgk s VAL 69 N 0.93 1.38 0.72 3.12 1.01 0.12 -1.75 120.40 125.92 3mgk s VAL 69 Ca -0.02 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 60.93 3mgk s VAL 69 Cb -0.15 -1.59 0.06 0.00 0.00 0.00 0.00 36.38 34.71 3mgk s VAL 69 CO -0.00 0.02 1.04 -2.16 0.00 0.00 0.00 175.10 174.00 3mgk s PRO 70 N 1.49 2.18 0.00 2.72 0.04 -1.26 -1.91 135.00 138.26 3mgk s PRO 70 Ca -0.03 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 60.83 3mgk s PRO 70 Cb -0.17 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.23 3mgk s PRO 70 CO -0.07 -1.28 0.00 0.41 0.04 0.00 0.00 177.00 176.10 3mgk n GLY 71 N -2.98 1.76 0.00 0.56 0.00 -0.86 -3.21 105.19 100.47 3mgk n GLY 71 Ca 0.08 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.18 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 3.21 0.26 -0.02 0.00 -1.26 -1.70 105.19 110.68 3mgk n GLY 72 Ca 0.00 -1.91 0.15 0.00 0.00 0.00 0.00 46.02 44.26 3mgk n GLY 72 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3mgk n SER 73 N 0.00 0.01 0.15 1.61 7.64 -1.21 -0.60 113.62 121.22 3mgk n SER 73 Ca 0.00 1.29 0.18 0.00 1.01 0.00 0.00 58.87 61.35 3mgk n SER 73 Cb 0.00 -0.51 0.70 0.00 -1.01 0.00 0.00 64.21 63.39 3mgk n SER 73 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3mgk h GLY 74 N 0.00 0.00 2.00 0.23 0.00 -1.39 -1.17 103.07 102.74 3mgk h GLY 74 Ca 0.51 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.77 3mgk h GLY 74 CO -0.68 0.00 -0.35 -0.91 0.00 0.00 0.00 176.54 174.60 3mgk h THR 75 N 0.00 1.11 -0.10 4.70 1.35 -1.12 -1.67 112.91 117.17 3mgk h THR 75 Ca 0.15 -1.25 -0.00 0.00 -0.55 0.00 0.00 66.41 64.75 3mgk h THR 75 Cb 1.18 1.70 -0.00 0.00 -1.73 0.00 0.00 68.15 69.29 3mgk h THR 75 CO -0.00 0.34 0.05 0.03 -0.25 0.00 0.00 175.52 175.69 3mgk h ARG 76 N 0.00 0.14 -0.41 4.72 3.08 -1.41 0.94 114.38 121.44 3mgk h ARG 76 Ca -0.00 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 59.90 3mgk h ARG 76 Cb 0.68 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 3mgk h ARG 76 CO 0.05 0.18 -0.27 0.93 -1.07 0.00 0.00 179.97 179.78 3mgk h GLU 77 N 0.07 0.86 0.00 0.04 5.08 -1.72 -3.26 114.58 115.65 3mgk h GLU 77 Ca 0.04 -0.38 -0.04 0.00 -1.00 0.00 0.00 59.36 57.97 3mgk h GLU 77 Cb 0.08 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3mgk h GLU 77 CO -0.01 1.03 -0.18 0.87 -1.00 0.00 0.00 179.01 179.72 3mgk h LYS 78 N 0.73 0.00 -0.12 2.33 1.79 -0.47 -2.53 116.57 118.32 3mgk h LYS 78 Ca 0.09 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.59 3mgk h LYS 78 Cb 0.82 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.47 3mgk h LYS 78 CO 0.07 0.18 0.09 -0.39 -1.08 0.00 0.00 179.45 178.32 3mgk h VAL 79 N 0.00 0.78 0.00 0.50 -1.51 -0.89 -2.69 116.25 112.44 3mgk h VAL 79 Ca -0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.40 3mgk h VAL 79 Cb 0.57 0.93 -0.01 0.00 -2.13 0.00 0.00 31.29 30.65 3mgk h VAL 79 CO 0.02 0.00 -0.34 0.78 -1.23 0.00 0.00 177.57 176.80 3mgk h ASN 80 N 0.00 0.00 -0.93 4.19 2.35 -1.65 -3.43 115.58 116.11 3mgk h ASN 80 Ca 0.05 0.00 -0.36 0.00 -0.55 0.00 0.00 56.30 55.45 3mgk h ASN 80 Cb 0.24 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.56 3mgk h ASN 80 CO -0.00 0.34 0.90 -0.62 -1.65 0.00 0.00 177.43 176.40 3mgk s ASP 81 N -6.49 5.36 0.32 5.81 -1.08 -1.01 -4.77 116.67 114.81 3mgk s ASP 81 Ca -0.01 -0.67 0.06 0.00 -0.52 0.00 0.00 52.55 51.41 3mgk s ASP 81 Cb 0.12 -2.56 0.87 0.00 -1.46 0.00 0.00 42.92 39.89 3mgk s ASP 81 CO 0.68 -2.53 1.59 0.44 0.52 0.00 0.00 175.17 175.88 3mgk h ASP 82 N 11.44 -0.18 0.20 -0.34 5.19 -1.89 0.23 116.42 131.07 3mgk h ASP 82 Ca 0.07 0.25 -0.01 0.00 -0.62 0.00 0.00 57.03 56.72 3mgk h ASP 82 Cb 1.02 0.38 0.00 0.00 0.18 0.00 0.00 39.33 40.92 3mgk h ASP 82 CO 1.24 -0.32 -0.10 0.78 -3.12 0.00 0.00 179.24 177.73 3mgk h ASN 83 N 0.06 -0.23 -0.23 6.45 2.35 -1.98 -0.21 115.58 121.79 3mgk h ASN 83 Ca 0.64 -0.16 0.05 0.00 -0.55 0.00 0.00 56.30 56.27 3mgk h ASN 83 Cb 1.41 0.06 -0.07 0.00 0.05 0.00 0.00 38.32 39.77 3mgk h ASN 83 CO -0.82 0.04 -0.46 0.15 -1.65 0.00 0.00 177.43 174.70 3mgk h PHE 84 N -0.51 -1.33 -0.92 1.19 3.57 -1.07 0.52 116.94 118.40 3mgk h PHE 84 Ca -0.03 0.06 0.13 0.00 3.53 0.00 0.00 57.97 61.66 3mgk h PHE 84 Cb 0.38 0.61 -0.09 0.00 2.79 0.00 0.00 35.95 39.65 3mgk h PHE 84 CO 0.00 -0.48 0.53 0.82 -2.23 0.00 0.00 178.31 176.96 3mgk h ILE 85 N -0.45 0.83 -0.07 1.41 5.03 -0.65 0.11 117.51 123.71 3mgk h ILE 85 Ca 0.09 -0.28 -0.14 0.00 -0.12 0.00 0.00 64.86 64.41 3mgk h ILE 85 Cb 0.62 -0.04 -0.01 0.00 -3.03 0.00 0.00 36.82 34.36 3mgk h ILE 85 CO -0.47 0.15 -0.59 -1.13 -0.68 0.00 0.00 178.15 175.43 3mgk h ASN 86 N 0.80 0.27 0.10 1.72 -0.73 0.88 -0.18 115.58 118.44 3mgk h ASN 86 Ca 0.48 -0.15 0.02 0.00 1.87 0.00 0.00 56.30 58.52 3mgk h ASN 86 Cb 0.57 -0.08 -0.04 0.00 0.27 0.00 0.00 38.32 39.05 3mgk h ASN 86 CO -0.31 0.80 -0.28 0.15 -0.37 0.00 0.00 177.43 177.42 3mgk h PHE 87 N 0.18 -0.75 0.45 0.67 3.57 0.12 0.23 116.94 121.40 3mgk h PHE 87 Ca -0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3mgk h PHE 87 Cb 1.09 0.32 -0.02 0.00 2.79 0.00 0.00 35.95 40.12 3mgk h PHE 87 CO 0.02 -0.38 -0.43 0.82 -2.23 0.00 0.00 178.31 176.11 3mgk h ILE 88 N -0.48 0.15 -0.73 1.41 2.04 -0.44 0.93 117.51 120.38 3mgk h ILE 88 Ca 0.03 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.05 3mgk h ILE 88 Cb 0.52 0.15 -0.14 0.00 -0.74 0.00 0.00 36.82 36.61 3mgk h ILE 88 CO -0.17 0.00 -0.15 1.23 0.00 0.00 0.00 178.15 179.06 3mgk h GLY 89 N -0.88 0.59 0.44 5.37 0.00 -0.99 1.07 103.07 108.66 3mgk h GLY 89 Ca -0.04 0.22 0.07 0.00 0.00 0.00 0.00 47.33 47.57 3mgk h GLY 89 CO -0.05 -0.28 0.10 3.43 0.00 0.00 0.00 176.54 179.74 3mgk h ASN 90 N 0.02 0.02 -0.35 0.19 2.35 -0.16 0.17 115.58 117.81 3mgk h ASN 90 Ca 0.36 0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 56.14 3mgk h ASN 90 Cb 0.57 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.03 3mgk h ASN 90 CO -0.73 0.05 0.05 0.24 -1.65 0.00 0.00 177.43 175.39 3mgk h MET 91 N 0.24 0.59 -0.22 0.81 2.86 0.20 -3.08 114.93 116.32 3mgk h MET 91 Ca 0.22 -0.16 0.04 0.00 -2.06 0.00 0.00 59.70 57.75 3mgk h MET 91 Cb 0.28 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.83 3mgk h MET 91 CO -0.29 0.67 -0.04 0.28 1.06 0.00 0.00 176.91 178.59 3mgk h VAL 92 N 0.43 0.79 -1.05 -2.22 2.07 0.15 0.08 116.25 116.50 3mgk h VAL 92 Ca 0.11 -0.01 0.30 0.00 0.82 0.00 0.00 66.70 67.92 3mgk h VAL 92 Cb 0.36 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 3mgk h VAL 92 CO 0.01 0.00 0.90 0.11 0.02 0.00 0.00 177.57 178.61 3mgk h LYS 93 N 0.02 0.00 -0.02 1.57 1.57 -0.60 -0.64 116.57 118.47 3mgk h LYS 93 Ca 0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3mgk h LYS 93 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 3mgk h LYS 93 CO -0.22 0.00 -0.23 -1.91 -0.57 0.00 0.00 179.45 176.53 3mgk n GLU 94 N -3.82 1.65 -3.97 3.15 4.07 -0.02 -5.00 120.64 116.70 3mgk n GLU 94 Ca 0.23 -1.30 -0.25 0.00 -0.06 0.00 0.00 57.16 55.77 3mgk n GLU 94 Cb 1.24 -1.40 -0.03 0.00 -0.06 0.00 0.00 31.44 31.19 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 -2.02 6.24 0.12 4.31 0.01 -0.25 -4.67 113.70 117.45 3mgk s SER 95 Ca 0.20 0.11 0.16 0.00 1.31 0.00 0.00 55.95 57.74 3mgk s SER 95 Cb 0.17 -1.85 -0.08 0.00 0.21 0.00 0.00 66.02 64.47 3mgk s SER 95 CO 0.39 0.03 0.99 0.50 0.41 0.00 0.00 173.24 175.57 3mgk h LYS 96 N 1.97 0.00 -3.75 12.44 3.64 -1.13 -3.47 116.57 126.27 3mgk h LYS 96 Ca -0.49 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 58.74 3mgk h LYS 96 Cb 1.20 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.82 3mgk h LYS 96 CO 0.67 0.34 -0.59 0.71 -2.27 0.00 0.00 179.45 178.31 3mgk s TYR 97 N -2.94 0.16 -0.08 1.91 2.02 -1.19 -4.84 117.35 112.40 3mgk s TYR 97 Ca -0.01 -0.36 0.02 0.00 -0.37 0.00 0.00 57.07 56.35 3mgk s TYR 97 Cb 0.08 -0.12 0.01 0.00 -0.40 0.00 0.00 41.96 41.53 3mgk s TYR 97 CO 0.79 -0.25 -0.13 0.42 -1.57 0.00 0.00 175.55 174.81 3mgk s ILE 98 N -1.57 1.23 -0.01 2.71 -1.09 -0.54 -1.10 121.20 120.83 3mgk s ILE 98 Ca -0.14 -0.52 0.03 0.00 -2.23 0.00 0.00 60.65 57.79 3mgk s ILE 98 Cb -0.08 -1.13 -0.01 0.00 -1.58 0.00 0.00 42.46 39.67 3mgk s ILE 98 CO -0.00 0.38 -0.11 -0.63 -1.23 0.00 0.00 174.94 173.35 3mgk s ILE 99 N 0.77 0.87 0.05 2.92 1.01 0.30 -0.37 121.20 126.74 3mgk s ILE 99 Ca -0.12 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.09 3mgk s ILE 99 Cb -0.16 -0.73 -0.03 0.00 0.01 0.00 0.00 42.46 41.55 3mgk s ILE 99 CO 0.02 0.25 -0.06 -0.94 0.00 0.00 0.00 174.94 174.22 3mgk s SER 100 N -0.14 0.77 0.01 3.58 1.04 -0.45 0.11 113.70 118.61 3mgk s SER 100 Ca 0.02 -0.72 0.05 0.00 0.48 0.00 0.00 55.95 55.78 3mgk s SER 100 Cb -0.05 0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.13 3mgk s SER 100 CO -0.00 -0.34 -0.16 -0.69 0.98 0.00 0.00 173.24 173.03 3mgk s VAL 101 N -2.31 1.23 0.00 5.02 1.01 -0.80 -1.91 120.40 122.65 3mgk s VAL 101 Ca -0.03 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.16 3mgk s VAL 101 Cb -0.04 -1.05 0.00 0.00 0.00 0.00 0.00 36.38 35.29 3mgk s VAL 101 CO -0.03 0.25 0.00 0.00 0.00 0.00 0.00 175.10 175.32 3mgk n THR 103 N 0.00 0.41 -0.32 0.00 -2.24 -1.26 -2.69 114.28 108.18 3mgk n THR 103 Ca 0.00 0.10 0.36 0.00 -2.27 0.00 0.00 64.05 62.24 3mgk n THR 103 Cb 0.00 -0.92 0.70 0.00 -2.10 0.00 0.00 70.33 68.01 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 1.88 0.00 1.66 3.38 0.00 -1.28 0.18 103.07 108.88 3mgk h GLY 104 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3mgk h GLY 104 CO 0.00 0.00 -0.27 1.48 0.00 0.00 0.00 176.54 177.75 3mgk h SER 105 N 0.00 0.00 -0.28 0.19 4.64 -1.71 -2.13 113.55 114.26 3mgk h SER 105 Ca 0.58 -0.07 -0.01 0.00 -0.47 0.00 0.00 61.79 61.81 3mgk h SER 105 Cb 2.58 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 64.65 3mgk h SER 105 CO -0.01 0.04 0.15 0.00 -0.87 0.00 0.00 176.83 176.14 3mgk h ALA 106 N 2.44 1.66 0.20 5.18 0.00 -0.90 0.42 119.26 128.25 3mgk h ALA 106 Ca 0.00 -0.08 -0.30 0.00 0.00 0.00 0.00 54.91 54.53 3mgk h ALA 106 Cb 0.78 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.46 3mgk h ALA 106 CO 0.00 0.28 -1.40 -0.07 0.00 0.00 0.00 179.25 178.06 3mgk h LEU 107 N 0.45 0.66 -1.01 0.00 3.38 -1.47 -2.06 115.31 115.26 3mgk h LEU 107 Ca 0.11 -0.92 -0.01 0.00 0.09 0.00 0.00 57.88 57.15 3mgk h LEU 107 Cb 0.06 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3mgk h LEU 107 CO -0.01 1.66 0.52 -0.07 0.09 0.00 0.00 178.44 180.62 3mgk h LEU 108 N -0.03 1.07 0.12 1.67 3.38 -1.29 -2.31 115.31 117.91 3mgk h LEU 108 Ca -0.26 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 3mgk h LEU 108 Cb 1.99 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.47 3mgk h LEU 108 CO 0.20 0.83 -0.06 -1.28 0.09 0.00 0.00 178.44 178.22 3mgk h SER 109 N 1.22 -0.13 -0.99 -0.43 0.87 -0.95 -2.61 113.55 110.52 3mgk h SER 109 Ca 0.32 -0.16 0.21 0.00 -1.23 0.00 0.00 61.79 60.93 3mgk h SER 109 Cb -0.03 0.03 -0.10 0.00 -0.44 0.00 0.00 62.40 61.86 3mgk h SER 109 CO -0.06 0.08 0.62 0.50 -0.53 0.00 0.00 176.83 177.44 3mgk h LYS 110 N -0.35 0.63 0.00 2.24 3.11 -1.14 3.95 116.57 125.01 3mgk h LYS 110 Ca -0.02 -0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.79 3mgk h LYS 110 Cb 0.28 -0.14 0.00 0.00 -1.00 0.00 0.00 32.23 31.37 3mgk h LYS 110 CO 0.03 0.41 0.00 0.00 -2.81 0.00 0.00 179.45 177.08 3mgk n ALA 111 N -2.38 2.05 -0.92 5.00 0.00 -0.89 -4.83 120.51 118.53 3mgk n ALA 111 Ca 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3mgk n ALA 111 Cb 0.65 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.04 0.25 0.31 0.00 0.00 1.30 -4.83 105.19 102.17 3mgk n GLY 112 Ca 0.11 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.33 3mgk n GLY 112 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3mgk h ILE 113 N 0.00 0.05 -0.01 -0.61 1.08 -1.59 -2.55 117.51 113.88 3mgk h ILE 113 Ca 0.00 -0.27 0.00 0.00 -0.39 0.00 0.00 64.86 64.20 3mgk h ILE 113 Cb 0.46 1.25 0.00 0.00 -3.07 0.00 0.00 36.82 35.46 3mgk h ILE 113 CO 0.00 0.01 -0.47 0.18 -0.69 0.00 0.00 178.15 177.18 3mgk n LEU 114 N -3.13 1.40 -4.60 1.44 4.77 -1.26 -4.86 117.00 110.76 3mgk n LEU 114 Ca -0.01 -0.48 -0.47 0.00 -0.03 0.00 0.00 56.01 55.02 3mgk n LEU 114 Cb 0.19 -0.07 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 3mgk n LEU 114 CO 0.24 0.27 1.69 0.59 -1.33 0.00 0.00 177.39 178.85 3mgk n ASN 115 N -0.58 3.15 0.00 -1.43 3.02 -0.96 -0.34 115.26 118.12 3mgk n ASN 115 Ca 0.09 0.59 0.00 0.00 -0.03 0.00 0.00 54.58 55.24 3mgk n ASN 115 Cb 0.40 -1.42 0.00 0.00 -0.61 0.00 0.00 39.78 38.15 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 5.36 0.75 3.82 7.41 0.00 -0.85 -5.00 105.19 116.68 3mgk n GLY 116 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.72 3.02 0.18 1.61 3.01 0.54 -4.78 119.74 122.59 3mgk s LYS 117 Ca 0.00 -0.71 -0.30 0.00 -1.01 0.00 0.00 55.97 53.95 3mgk s LYS 117 Cb 0.00 -2.77 -0.07 0.00 -1.01 0.00 0.00 37.83 33.98 3mgk s LYS 117 CO 0.00 0.54 0.98 1.03 0.51 0.00 0.00 175.35 178.41 3mgk s ARG 118 N -2.74 4.74 0.20 1.68 0.52 -1.26 -1.49 118.95 120.60 3mgk s ARG 118 Ca 0.31 1.52 -0.23 0.00 -0.52 0.00 0.00 55.73 56.82 3mgk s ARG 118 Cb -0.11 -3.32 0.05 0.00 0.52 0.00 0.00 34.95 32.09 3mgk s ARG 118 CO 0.24 0.31 0.73 0.00 0.02 0.00 0.00 175.30 176.60 3mgk s ALA 119 N -0.54 -1.45 0.19 2.13 0.00 -1.08 -4.49 121.76 116.53 3mgk s ALA 119 Ca 0.45 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.53 3mgk s ALA 119 Cb -0.26 0.80 -0.01 0.00 0.00 0.00 0.00 23.12 23.66 3mgk s ALA 119 CO 0.32 -0.93 0.22 -2.37 0.00 0.00 0.00 175.76 173.01 3mgk n THR 120 N -0.42 0.00 -3.83 0.00 5.66 -1.26 -0.13 114.28 114.30 3mgk n THR 120 Ca -0.09 -1.18 -0.07 0.00 -3.05 0.00 0.00 64.05 59.66 3mgk n THR 120 Cb 0.61 0.66 0.01 0.00 -1.55 0.00 0.00 70.33 70.06 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 -2.70 0.00 0.74 1.09 -1.32 -1.26 -4.50 115.64 107.70 3mgk s THR 121 Ca 0.19 -0.89 -0.13 0.00 -1.21 0.00 0.00 61.69 59.65 3mgk s THR 121 Cb 0.00 -2.54 0.05 0.00 -1.51 0.00 0.00 72.50 68.50 3mgk s THR 121 CO 0.14 0.00 1.14 0.54 -2.21 0.00 0.00 174.62 174.23 3mgk s ASN 122 N -3.07 4.37 0.15 8.08 6.03 -1.25 -4.44 114.94 124.80 3mgk s ASN 122 Ca 0.15 2.10 -0.05 0.00 -1.03 0.00 0.00 52.86 54.03 3mgk s ASN 122 Cb -0.04 -2.56 -0.03 0.00 -3.03 0.00 0.00 41.25 35.58 3mgk s ASN 122 CO 0.08 -2.14 1.37 0.11 -2.03 0.00 0.00 177.10 174.49 3mgk h LYS 123 N -0.60 0.49 -0.03 3.55 1.79 -1.90 -2.53 116.57 117.33 3mgk h LYS 123 Ca -0.46 -0.43 -0.03 0.00 -2.18 0.00 0.00 60.65 57.55 3mgk h LYS 123 Cb 1.26 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 32.01 3mgk h LYS 123 CO 0.50 1.07 -0.12 -0.09 -1.08 0.00 0.00 179.45 179.73 3mgk h ARG 124 N 0.32 0.05 -0.42 3.15 2.43 -1.90 -2.62 114.38 115.38 3mgk h ARG 124 Ca -0.05 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3mgk h ARG 124 Cb 1.41 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.95 3mgk h ARG 124 CO 0.14 0.18 0.00 0.43 -1.51 0.00 0.00 179.97 179.21 3mgk n SER 125 N -4.37 4.01 0.19 -3.80 7.64 -1.11 -4.80 113.62 111.39 3mgk n SER 125 Ca -0.02 -2.56 -0.15 0.00 1.01 0.00 0.00 58.87 57.15 3mgk n SER 125 Cb 0.21 -0.48 -0.08 0.00 -1.01 0.00 0.00 64.21 62.86 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 2.70 -0.43 -0.30 1.43 3.57 -1.05 -1.02 116.94 121.83 3mgk h PHE 126 Ca 0.00 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.53 3mgk h PHE 126 Cb 1.29 0.15 -0.07 0.00 2.79 0.00 0.00 35.95 40.11 3mgk h PHE 126 CO 0.55 -0.26 -0.51 -0.22 -2.23 0.00 0.00 178.31 175.63 3mgk h LYS 127 N -0.44 -0.40 -0.46 1.11 3.64 -1.87 0.35 116.57 118.50 3mgk h LYS 127 Ca -0.03 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.45 3mgk h LYS 127 Cb 0.35 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.20 3mgk h LYS 127 CO 0.05 -0.27 0.08 2.35 -2.27 0.00 0.00 179.45 179.38 3mgk h TRP 128 N -0.42 0.12 0.01 1.91 7.01 -1.88 0.13 115.95 122.83 3mgk h TRP 128 Ca 0.05 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.08 3mgk h TRP 128 Cb 0.57 0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.65 3mgk h TRP 128 CO -0.67 -0.02 -0.00 0.28 -2.79 0.00 0.00 178.44 175.24 3mgk h VAL 129 N 0.20 1.22 -0.67 2.65 2.07 -0.91 -3.29 116.25 117.53 3mgk h VAL 129 Ca 0.23 -0.69 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 3mgk h VAL 129 Cb 0.30 1.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 3mgk h VAL 129 CO -0.31 0.18 0.20 0.71 0.02 0.00 0.00 177.57 178.37 3mgk h THR 130 N -0.31 1.25 0.00 2.57 1.35 0.23 -2.19 112.91 115.82 3mgk h THR 130 Ca -0.00 -0.87 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 3mgk h THR 130 Cb 0.30 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 67.23 3mgk h THR 130 CO 0.00 0.34 0.00 -0.62 -0.25 0.00 0.00 175.52 174.99 3mgk n GLU 131 N -4.26 0.17 0.03 4.72 1.02 -0.01 -2.45 120.64 119.86 3mgk n GLU 131 Ca 0.05 0.40 -0.03 0.00 -0.02 0.00 0.00 57.16 57.56 3mgk n GLU 131 Cb 0.22 -1.83 0.20 0.00 -0.02 0.00 0.00 31.44 30.02 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 0.43 -3.03 3.49 4.20 -1.46 -3.42 115.11 115.31 3mgk h GLN 132 Ca 0.00 -0.18 -0.38 0.00 0.06 0.00 0.00 58.65 58.16 3mgk h GLN 132 Cb 0.35 -0.02 -0.38 0.00 0.30 0.00 0.00 27.48 27.73 3mgk h GLN 132 CO 0.00 0.69 -0.70 1.21 -0.67 0.00 0.00 178.83 179.36 3mgk s ASN 133 N -6.84 1.52 0.00 1.46 3.84 -1.03 -4.99 114.94 108.91 3mgk s ASN 133 Ca -0.06 -0.16 0.27 0.00 0.21 0.00 0.00 52.86 53.12 3mgk s ASN 133 Cb 0.13 0.01 0.86 0.00 -0.55 0.00 0.00 41.25 41.70 3mgk s ASN 133 CO 0.79 -0.30 1.63 -0.62 -2.79 0.00 0.00 177.10 175.82 3mgk n GLU 134 N 5.30 0.65 0.00 0.43 1.02 -1.26 -3.86 120.64 122.92 3mgk n GLU 134 Ca -0.05 -0.34 0.15 0.00 -0.02 0.00 0.00 57.16 56.90 3mgk n GLU 134 Cb 0.50 -1.49 0.73 0.00 -0.02 0.00 0.00 31.44 31.15 3mgk n GLU 134 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3mgk n ASP 135 N -0.88 0.48 -4.87 1.62 8.00 -1.26 -4.77 116.55 114.86 3mgk n ASP 135 Ca 0.12 -0.89 -0.36 0.00 0.71 0.00 0.00 54.79 54.37 3mgk n ASP 135 Cb 0.33 -0.05 -0.06 0.00 -0.02 0.00 0.00 41.12 41.33 3mgk n ASP 135 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3mgk s VAL 136 N -2.21 5.25 -1.16 2.53 1.01 -1.25 -2.01 120.40 122.56 3mgk s VAL 136 Ca 0.38 0.36 -0.15 0.00 0.00 0.00 0.00 61.98 62.57 3mgk s VAL 136 Cb 0.21 -3.58 0.15 0.00 0.00 0.00 0.00 36.38 33.16 3mgk s VAL 136 CO 0.41 0.44 1.41 -0.76 0.00 0.00 0.00 175.10 176.60 3mgk s LEU 137 N -1.51 4.88 0.19 3.92 1.43 -0.56 -4.93 118.68 122.10 3mgk s LEU 137 Ca 0.25 -2.73 -0.31 0.00 -1.03 0.00 0.00 54.13 50.32 3mgk s LEU 137 Cb -0.14 -2.42 -0.10 0.00 0.03 0.00 0.00 46.19 43.56 3mgk s LEU 137 CO 0.14 -0.87 1.48 0.26 0.23 0.00 0.00 176.35 177.59 3mgk s TRP 138 N 2.15 3.09 -0.36 0.29 0.52 -1.26 -2.62 118.94 120.74 3mgk s TRP 138 Ca 0.42 0.84 -0.11 0.00 0.02 0.00 0.00 56.10 57.28 3mgk s TRP 138 Cb -0.02 -3.83 0.02 0.00 -1.15 0.00 0.00 33.47 28.48 3mgk s TRP 138 CO -0.01 -2.92 0.20 0.08 0.02 0.00 0.00 176.95 174.32 3mgk s VAL 139 N 0.70 4.56 0.10 4.03 1.01 0.81 -4.90 120.40 126.71 3mgk s VAL 139 Ca 0.65 -0.80 -0.17 0.00 0.00 0.00 0.00 61.98 61.67 3mgk s VAL 139 Cb -0.42 -3.51 -0.06 0.00 0.00 0.00 0.00 36.38 32.39 3mgk s VAL 139 CO 0.35 -0.19 1.53 0.50 0.00 0.00 0.00 175.10 177.30 3mgk h LYS 140 N 8.42 0.58 -0.00 2.72 1.63 -1.95 -3.32 116.57 124.64 3mgk h LYS 140 Ca -0.26 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 3mgk h LYS 140 Cb 1.11 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.69 3mgk h LYS 140 CO 0.66 0.72 -0.28 0.39 -3.45 0.00 0.00 179.45 177.49 3mgk n GLU 141 N -4.52 0.57 -2.60 1.90 1.02 -1.26 -4.84 120.64 110.91 3mgk n GLU 141 Ca -0.02 -0.30 -0.39 0.00 -0.02 0.00 0.00 57.16 56.42 3mgk n GLU 141 Cb 0.28 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.16 3mgk n GLU 141 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mgk s ALA 142 N -2.64 3.31 0.13 0.62 0.00 -1.25 0.52 121.76 122.45 3mgk s ALA 142 Ca 0.21 0.74 -0.05 0.00 0.00 0.00 0.00 51.96 52.86 3mgk s ALA 142 Cb 0.19 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.95 3mgk s ALA 142 CO 0.56 -0.03 1.31 0.00 0.00 0.00 0.00 175.76 177.60 3mgk h ARG 143 N 3.58 0.45 -3.07 0.00 3.08 -1.61 -3.43 114.38 113.39 3mgk h ARG 143 Ca -0.47 -0.46 0.02 0.00 0.07 0.00 0.00 59.98 59.14 3mgk h ARG 143 Cb 1.21 0.13 -0.09 0.00 0.08 0.00 0.00 29.97 31.30 3mgk h ARG 143 CO 0.66 1.11 0.18 1.67 -1.07 0.00 0.00 179.97 182.52 3mgk s TRP 144 N -3.33 -0.31 -0.04 3.04 -2.14 -1.16 -1.26 118.94 113.74 3mgk s TRP 144 Ca -0.06 -0.03 -0.01 0.00 2.66 0.00 0.00 56.10 58.65 3mgk s TRP 144 Cb 0.09 0.58 0.03 0.00 -3.10 0.00 0.00 33.47 31.07 3mgk s TRP 144 CO 0.87 -1.02 0.06 0.08 -2.66 0.00 0.00 176.95 174.28 3mgk s VAL 145 N -3.85 -0.08 -0.30 -0.66 1.01 0.14 -4.79 120.40 111.87 3mgk s VAL 145 Ca 0.07 0.27 -0.11 0.00 0.00 0.00 0.00 61.98 62.21 3mgk s VAL 145 Cb -0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 36.18 3mgk s VAL 145 CO -0.03 0.11 0.18 -0.75 0.00 0.00 0.00 175.10 174.61 3mgk s LYS 146 N 1.42 3.67 -0.39 2.72 2.20 -1.26 -1.77 119.74 126.33 3mgk s LYS 146 Ca -0.05 -0.50 0.02 0.00 -0.36 0.00 0.00 55.97 55.07 3mgk s LYS 146 Cb -0.12 -3.63 0.12 0.00 -1.51 0.00 0.00 37.83 32.68 3mgk s LYS 146 CO -0.04 -0.29 0.17 0.34 -0.36 0.00 0.00 175.35 175.17 3mgk s ASP 147 N 1.70 4.01 1.08 1.43 -1.08 0.54 -4.98 116.67 119.37 3mgk s ASP 147 Ca 0.06 -2.29 0.00 0.00 -0.52 0.00 0.00 52.55 49.80 3mgk s ASP 147 Cb -0.16 -1.14 0.00 0.00 -1.46 0.00 0.00 42.92 40.16 3mgk s ASP 147 CO 0.09 -0.33 0.00 0.61 0.52 0.00 0.00 175.17 176.06 3mgk n GLY 148 N 4.00 2.11 1.33 2.66 0.00 -1.26 -2.35 105.19 111.68 3mgk n GLY 148 Ca 0.04 -0.46 0.09 0.00 0.00 0.00 0.00 46.02 45.70 3mgk n GLY 148 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3mgk n ASN 149 N 8.65 3.89 -4.45 1.61 6.94 -1.26 -4.90 115.26 125.74 3mgk n ASN 149 Ca 0.00 -2.21 -0.34 0.00 -0.02 0.00 0.00 54.58 52.01 3mgk n ASN 149 Cb 0.00 -0.49 -0.13 0.00 -2.36 0.00 0.00 39.78 36.80 3mgk n ASN 149 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3mgk s ILE 150 N -1.51 3.73 -0.11 1.53 1.01 -0.99 -1.47 121.20 123.39 3mgk s ILE 150 Ca 0.44 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.70 3mgk s ILE 150 Cb 0.26 -2.64 0.02 0.00 0.01 0.00 0.00 42.46 40.10 3mgk s ILE 150 CO 0.25 0.48 -0.14 -0.31 0.00 0.00 0.00 174.94 175.22 3mgk s TYR 151 N 0.60 1.95 0.09 3.97 2.02 0.50 -0.34 117.35 126.13 3mgk s TYR 151 Ca -0.03 -0.95 0.08 0.00 -0.37 0.00 0.00 57.07 55.80 3mgk s TYR 151 Cb -0.14 -1.42 -0.03 0.00 -0.40 0.00 0.00 41.96 39.96 3mgk s TYR 151 CO 0.03 -0.51 -0.20 0.95 -1.57 0.00 0.00 175.55 174.25 3mgk s THR 152 N 1.12 1.63 0.27 -0.71 -4.23 -0.73 -1.34 115.64 111.66 3mgk s THR 152 Ca -0.04 -1.45 0.03 0.00 -1.18 0.00 0.00 61.69 59.05 3mgk s THR 152 Cb -0.14 -1.48 -0.06 0.00 1.34 0.00 0.00 72.50 72.16 3mgk s THR 152 CO -0.04 -0.03 0.05 -0.94 -0.54 0.00 0.00 174.62 173.13 3mgk s SER 153 N -1.75 1.74 0.00 3.99 1.04 -0.80 -0.69 113.70 117.24 3mgk s SER 153 Ca 0.06 -1.33 0.00 0.00 0.48 0.00 0.00 55.95 55.16 3mgk s SER 153 Cb -0.10 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.06 3mgk s SER 153 CO 0.04 -0.63 0.00 -1.20 0.98 0.00 0.00 173.24 172.43 3mgk n SER 154 N -0.52 0.00 -3.49 7.02 7.64 -0.39 -2.25 113.62 121.64 3mgk n SER 154 Ca -0.02 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.62 3mgk n SER 154 Cb 0.66 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 64.02 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 -1.56 0.36 0.23 0.00 -1.26 -0.71 105.19 107.25 3mgk n GLY 155 Ca 0.00 -1.68 -0.03 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.70 1.25 -0.34 1.61 -1.51 -1.98 0.20 116.25 113.78 3mgk h VAL 156 Ca -0.34 -0.55 -0.09 0.00 -1.23 0.00 0.00 66.70 64.49 3mgk h VAL 156 Cb 0.94 -0.03 -0.01 0.00 -2.13 0.00 0.00 31.29 30.07 3mgk h VAL 156 CO 0.24 0.27 -0.14 0.28 -1.23 0.00 0.00 177.57 176.99 3mgk h SER 157 N 1.25 0.71 -0.93 4.19 0.02 -1.96 -2.62 113.55 114.21 3mgk h SER 157 Ca 0.33 -0.39 0.09 0.00 -0.84 0.00 0.00 61.79 60.97 3mgk h SER 157 Cb -0.05 -0.20 -0.07 0.00 0.14 0.00 0.00 62.40 62.22 3mgk h SER 157 CO -0.06 0.94 0.58 0.00 -1.14 0.00 0.00 176.83 177.15 3mgk h ALA 158 N 0.79 1.34 -0.28 3.77 0.00 -1.74 -0.33 119.26 122.81 3mgk h ALA 158 Ca 0.08 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3mgk h ALA 158 Cb 0.66 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3mgk h ALA 158 CO 0.04 0.26 0.09 0.78 0.00 0.00 0.00 179.25 180.42 3mgk h GLY 159 N 0.99 0.34 0.97 0.00 0.00 -0.63 0.36 103.07 105.10 3mgk h GLY 159 Ca 0.43 -0.05 -0.12 0.00 0.00 0.00 0.00 47.33 47.60 3mgk h GLY 159 CO -0.22 0.02 -0.26 -2.22 0.00 0.00 0.00 176.54 173.86 3mgk h ILE 160 N 0.21 1.30 -0.32 2.60 2.04 -1.11 -2.48 117.51 119.75 3mgk h ILE 160 Ca 0.13 -1.42 -0.10 0.00 1.00 0.00 0.00 64.86 64.46 3mgk h ILE 160 Cb 0.10 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 3mgk h ILE 160 CO -0.13 0.46 -0.21 0.44 0.00 0.00 0.00 178.15 178.70 3mgk h ASP 161 N 0.46 0.60 -0.85 1.72 3.32 -0.68 -1.93 116.42 119.05 3mgk h ASP 161 Ca 0.05 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 3mgk h ASP 161 Cb 0.83 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 40.17 3mgk h ASP 161 CO 0.07 0.82 0.51 -0.03 -1.72 0.00 0.00 179.24 178.89 3mgk h MET 162 N 0.54 1.15 -0.56 3.56 4.05 -0.30 -1.48 114.93 121.88 3mgk h MET 162 Ca 0.08 -0.10 -0.03 0.00 -0.28 0.00 0.00 59.70 59.37 3mgk h MET 162 Cb 0.66 -0.24 -0.02 0.00 -0.80 0.00 0.00 31.60 31.19 3mgk h MET 162 CO 0.05 0.81 0.23 1.15 0.23 0.00 0.00 176.91 179.38 3mgk h THR 163 N 1.17 1.22 -0.82 -0.77 2.02 -0.88 0.23 112.91 115.08 3mgk h THR 163 Ca 0.31 -0.68 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 3mgk h THR 163 Cb -0.05 0.62 -0.04 0.00 -1.74 0.00 0.00 68.15 66.94 3mgk h THR 163 CO -0.06 0.26 0.37 -0.07 0.37 0.00 0.00 175.52 176.40 3mgk h LEU 164 N 0.77 1.09 -0.76 2.58 3.38 -1.15 -0.22 115.31 120.99 3mgk h LEU 164 Ca 0.19 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3mgk h LEU 164 Cb 0.19 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3mgk h LEU 164 CO -0.02 0.93 0.49 1.23 0.09 0.00 0.00 178.44 181.17 3mgk h GLY 165 N 1.19 1.09 0.99 0.83 0.00 -0.74 0.62 103.07 107.05 3mgk h GLY 165 Ca 0.28 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3mgk h GLY 165 CO -0.03 0.34 0.24 -2.75 0.00 0.00 0.00 176.54 174.35 3mgk h PHE 166 N 0.98 0.50 -0.68 5.60 3.57 -0.12 -0.20 116.94 126.59 3mgk h PHE 166 Ca 0.30 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.82 3mgk h PHE 166 Cb -0.04 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.50 3mgk h PHE 166 CO -0.03 0.33 0.43 0.82 -2.23 0.00 0.00 178.31 177.64 3mgk h ILE 167 N 0.51 1.12 -0.26 1.41 1.08 -0.69 -0.67 117.51 120.02 3mgk h ILE 167 Ca 0.14 -0.30 0.05 0.00 -0.39 0.00 0.00 64.86 64.36 3mgk h ILE 167 Cb -0.03 0.18 -0.04 0.00 -3.07 0.00 0.00 36.82 33.86 3mgk h ILE 167 CO -0.03 0.16 -0.02 -0.08 -0.69 0.00 0.00 178.15 177.49 3mgk h GLU 168 N 0.86 0.05 -0.88 2.37 4.81 -0.54 0.27 114.58 121.52 3mgk h GLU 168 Ca 0.26 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.47 3mgk h GLU 168 Cb -0.03 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 3mgk h GLU 168 CO -0.09 0.03 0.46 -0.44 -0.73 0.00 0.00 179.01 178.25 3mgk h ASP 169 N 0.05 1.11 0.42 1.04 3.32 -0.51 -0.98 116.42 120.87 3mgk h ASP 169 Ca 0.13 -0.11 -0.26 0.00 0.02 0.00 0.00 57.03 56.80 3mgk h ASP 169 Cb 0.17 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.39 3mgk h ASP 169 CO -0.23 0.91 -1.79 -0.11 -1.72 0.00 0.00 179.24 176.30 3mgk n LEU 170 N -4.33 0.63 0.00 1.55 7.94 -0.30 -4.54 117.00 117.94 3mgk n LEU 170 Ca 0.09 0.29 0.00 0.00 -1.11 0.00 0.00 56.01 55.28 3mgk n LEU 170 Cb 0.11 0.21 0.00 0.00 0.53 0.00 0.00 43.42 44.27 3mgk n LEU 170 CO 0.39 0.32 -0.21 -0.38 -1.11 0.00 0.00 177.39 176.41 3mgk n ILE 171 N -2.89 0.00 0.00 1.96 2.08 0.93 -5.08 119.36 116.36 3mgk n ILE 171 Ca -0.18 -0.10 0.00 0.00 0.56 0.00 0.00 62.75 63.04 3mgk n ILE 171 Cb 0.99 0.52 0.00 0.00 -0.75 0.00 0.00 39.64 40.41 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 1.22 2.95 0.20 7.39 0.00 -0.37 -4.81 105.19 111.77 3mgk n GLY 172 Ca 0.00 -1.60 0.02 0.00 0.00 0.00 0.00 46.02 44.44 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 0.08 -0.61 1.61 3.64 -1.85 -2.82 116.57 116.62 3mgk h LYS 173 Ca 0.00 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 3mgk h LYS 173 Cb 0.00 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 3mgk h LYS 173 CO 0.00 0.38 0.26 1.49 -2.27 0.00 0.00 179.45 179.32 3mgk h GLU 174 N 0.07 0.87 -0.37 1.90 4.57 -1.94 -1.27 114.58 118.41 3mgk h GLU 174 Ca 0.01 -0.13 -0.12 0.00 -1.18 0.00 0.00 59.36 57.94 3mgk h GLU 174 Cb 0.58 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 3mgk h GLU 174 CO 0.04 0.70 -0.27 -0.22 -1.18 0.00 0.00 179.01 178.08 3mgk h LYS 175 N 0.87 0.77 0.14 1.92 1.63 -1.81 -0.10 116.57 119.97 3mgk h LYS 175 Ca 0.21 -0.33 -0.01 0.00 -0.85 0.00 0.00 60.65 59.67 3mgk h LYS 175 Cb 0.14 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 3mgk h LYS 175 CO -0.02 0.95 -0.07 0.00 -3.45 0.00 0.00 179.45 176.86 3mgk h ALA 176 N 1.03 -0.19 -0.94 5.00 0.00 -1.34 -1.82 119.26 121.01 3mgk h ALA 176 Ca 0.08 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3mgk h ALA 176 Cb 0.79 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 3mgk h ALA 176 CO 0.07 -0.52 0.62 -0.07 0.00 0.00 0.00 179.25 179.35 3mgk h LEU 177 N -0.37 1.08 -0.06 0.00 3.38 -1.18 -1.49 115.31 116.67 3mgk h LEU 177 Ca -0.02 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.96 3mgk h LEU 177 Cb 0.29 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3mgk h LEU 177 CO 0.03 0.78 -0.20 -0.08 0.09 0.00 0.00 178.44 179.06 3mgk h GLU 178 N 1.27 -0.28 0.13 1.13 4.81 -0.84 0.52 114.58 121.33 3mgk h GLU 178 Ca 0.34 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.59 3mgk h GLU 178 Cb -0.15 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 3mgk h GLU 178 CO -0.07 -0.18 -0.08 0.82 -0.73 0.00 0.00 179.01 178.77 3mgk h ILE 179 N -0.29 0.84 -0.86 2.32 2.04 -0.97 -0.40 117.51 120.20 3mgk h ILE 179 Ca 0.08 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.99 3mgk h ILE 179 Cb 0.40 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.26 3mgk h ILE 179 CO -0.23 0.00 0.56 0.77 0.00 0.00 0.00 178.15 179.25 3mgk h SER 180 N -0.20 0.88 -0.29 1.72 4.64 -1.04 -1.23 113.55 118.03 3mgk h SER 180 Ca -0.01 -0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.13 3mgk h SER 180 Cb 0.16 -0.19 -0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3mgk h SER 180 CO 0.02 0.59 -0.51 0.03 -0.87 0.00 0.00 176.83 176.09 3mgk h ARG 181 N 1.01 0.87 -0.19 4.77 3.08 -0.59 -0.25 114.38 123.08 3mgk h ARG 181 Ca 0.35 -0.53 -0.17 0.00 0.07 0.00 0.00 59.98 59.71 3mgk h ARG 181 Cb 0.12 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 3mgk h ARG 181 CO -0.12 1.17 -0.57 0.66 -1.07 0.00 0.00 179.97 180.04 3mgk h SER 182 N 0.68 0.65 0.41 7.04 4.64 -0.16 -2.87 113.55 123.94 3mgk h SER 182 Ca 0.03 -0.35 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3mgk h SER 182 Cb 1.11 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3mgk h SER 182 CO 0.11 1.08 -0.29 2.30 -0.87 0.00 0.00 176.83 179.16 3mgk n ILE 183 N -3.95 0.00 -3.37 0.95 -5.35 -0.55 -4.97 119.36 102.12 3mgk n ILE 183 Ca -0.03 -0.06 -0.17 0.00 -0.27 0.00 0.00 62.75 62.22 3mgk n ILE 183 Cb 0.62 0.18 0.08 0.00 -1.74 0.00 0.00 39.64 38.78 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 -1.08 -4.48 -3.98 6.28 1.02 -0.27 -5.02 120.64 113.11 3mgk n GLU 184 Ca 0.10 0.84 -0.35 0.00 -0.02 0.00 0.00 57.16 57.73 3mgk n GLU 184 Cb 0.33 -5.79 -0.12 0.00 -0.02 0.00 0.00 31.44 25.84 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 -3.39 3.11 -0.40 -0.32 5.04 -0.27 -5.04 117.35 116.09 3mgk s TYR 185 Ca 0.22 -0.28 -0.29 0.00 -2.44 0.00 0.00 57.07 54.28 3mgk s TYR 185 Cb -0.03 -2.12 0.01 0.00 0.35 0.00 0.00 41.96 40.17 3mgk s TYR 185 CO 0.74 -0.15 1.38 0.12 -1.34 0.00 0.00 175.55 176.30 3mgk s PHE 186 N 0.97 2.47 -0.34 4.97 5.36 -1.26 -4.69 117.98 125.46 3mgk s PHE 186 Ca 0.03 0.70 -0.18 0.00 -0.96 0.00 0.00 56.93 56.52 3mgk s PHE 186 Cb -0.14 -4.26 -0.01 0.00 -0.34 0.00 0.00 43.02 38.27 3mgk s PHE 186 CO 0.02 -1.89 0.50 -0.46 -1.46 0.00 0.00 175.22 171.93 3mgk s TRP 187 N 5.20 3.19 -0.63 10.12 -0.00 -1.26 -5.00 118.94 130.55 3mgk s TRP 187 Ca 0.60 0.20 -0.22 0.00 -0.00 0.00 0.00 56.10 56.68 3mgk s TRP 187 Cb -0.14 -2.89 0.08 0.00 -0.00 0.00 0.00 33.47 30.52 3mgk s TRP 187 CO 0.31 -0.51 0.89 1.21 -0.00 0.00 0.00 176.95 178.85 3mgk s ASN 188 N 1.74 6.18 0.57 5.86 3.84 -1.26 -4.93 114.94 126.95 3mgk s ASN 188 Ca 0.18 -1.06 0.34 0.00 0.21 0.00 0.00 52.86 52.54 3mgk s ASN 188 Cb -0.15 -2.39 1.68 0.00 -0.55 0.00 0.00 41.25 39.84 3mgk s ASN 188 CO 0.13 -1.34 2.12 -0.33 -2.79 0.00 0.00 177.10 174.89 3mgk h GLU 189 N 9.45 0.00 -6.27 0.43 5.08 -1.94 -3.44 114.58 117.89 3mgk h GLU 189 Ca -0.29 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.51 3mgk h GLU 189 Cb 1.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 3mgk h GLU 189 CO 1.15 0.05 1.17 -0.51 -1.00 0.00 0.00 179.01 179.88 3mgk s ASP 190 N -5.73 6.28 0.00 1.42 1.01 -1.26 -4.87 116.67 113.52 3mgk s ASP 190 Ca -0.02 1.70 0.21 0.00 0.71 0.00 0.00 52.55 55.14 3mgk s ASP 190 Cb 0.12 -2.53 0.73 0.00 1.01 0.00 0.00 42.92 42.24 3mgk s ASP 190 CO 0.52 -1.32 1.53 -1.54 0.21 0.00 0.00 175.17 174.58 3mgk n SER 191 N 8.74 1.73 -0.10 0.27 3.41 -1.26 -4.63 113.62 121.78 3mgk n SER 191 Ca 0.20 -1.73 -0.15 0.00 -0.26 0.00 0.00 58.87 56.93 3mgk n SER 191 Cb 0.45 -0.11 -0.08 0.00 -0.26 0.00 0.00 64.21 64.20 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 0.37 2.27 -4.07 4.04 3.02 -1.26 -2.01 115.26 117.62 3mgk n ASN 192 Ca 0.16 -0.02 -0.34 0.00 -0.03 0.00 0.00 54.58 54.35 3mgk n ASN 192 Cb 0.34 -0.37 -0.13 0.00 -0.61 0.00 0.00 39.78 39.01 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 -2.38 3.64 -0.31 3.10 6.14 -1.26 -3.78 117.35 122.50 3mgk s TYR 193 Ca -0.26 -2.73 -0.29 0.00 0.64 0.00 0.00 57.07 54.43 3mgk s TYR 193 Cb 0.08 -3.08 -0.00 0.00 0.42 0.00 0.00 41.96 39.37 3mgk s TYR 193 CO 0.42 -0.94 1.43 0.34 0.64 0.00 0.00 175.55 177.44 3mgk s ASP 194 N 1.26 6.48 0.49 4.32 -1.08 0.19 -4.86 116.67 123.46 3mgk s ASP 194 Ca 0.10 1.22 0.33 0.00 -0.52 0.00 0.00 52.55 53.68 3mgk s ASP 194 Cb -0.21 -2.54 1.74 0.00 -1.46 0.00 0.00 42.92 40.45 3mgk s ASP 194 CO -0.06 -1.24 2.01 1.55 0.52 0.00 0.00 175.17 177.95 3mgk h PRO 195 N 10.18 0.00 0.00 4.34 0.13 -1.97 -1.84 132.00 142.84 3mgk h PRO 195 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3mgk h PRO 195 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3mgk h PRO 195 CO 1.04 0.00 -0.11 1.19 -0.23 0.00 0.00 178.00 179.89 3mgk n PHE 196 N -2.68 0.08 -0.22 1.56 3.72 -1.26 -2.91 117.46 115.74 3mgk n PHE 196 Ca -0.02 0.02 0.01 0.00 -0.05 0.00 0.00 57.45 57.42 3mgk n PHE 196 Cb 0.08 -0.49 0.25 0.00 -0.94 0.00 0.00 39.48 38.39 3mgk n PHE 196 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3mgk h SER 197 N 0.00 0.85 -0.43 4.37 0.02 -1.65 -3.08 113.55 113.62 3mgk h SER 197 Ca 0.00 -0.02 0.09 0.00 -0.84 0.00 0.00 61.79 61.02 3mgk h SER 197 Cb 0.52 -0.21 -0.08 0.00 0.14 0.00 0.00 62.40 62.78 3mgk h SER 197 CO 0.00 0.61 -0.08 0.11 -1.14 0.00 0.00 176.83 176.33 3mgk h LYS 198 N 1.00 0.03 -0.74 3.45 1.57 -1.71 -2.37 116.57 117.80 3mgk h LYS 198 Ca 0.29 -0.00 0.16 0.00 -1.87 0.00 0.00 60.65 59.23 3mgk h LYS 198 Cb -0.07 -0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.12 3mgk h LYS 198 CO -0.07 0.02 0.15 0.82 -0.57 0.00 0.00 179.45 179.80 3mgk h ILE 199 N 0.03 0.48 -0.02 1.86 2.04 -1.73 -3.54 117.51 116.62 3mgk h ILE 199 Ca 0.21 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.99 3mgk h ILE 199 Cb 0.32 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 3mgk h ILE 199 CO -0.42 0.04 0.00 -1.22 0.00 0.00 0.00 178.15 176.55