#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mks h LEU 2 N 0.00 -0.12 -1.64 0.00 5.85 -1.28 -1.63 115.31 116.49 1mks h LEU 2 Ca 0.00 -0.44 -0.04 0.00 0.84 0.00 0.00 57.88 58.25 1mks h LEU 2 Cb 0.00 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1mks h LEU 2 CO 0.00 0.49 -0.18 -0.50 -0.34 0.00 0.00 178.44 177.92 1mks h TRP 3 N -0.87 0.00 0.21 1.25 4.06 -1.96 0.45 115.95 119.08 1mks h TRP 3 Ca -0.02 0.00 -0.33 0.00 2.06 0.00 0.00 58.89 60.61 1mks h TRP 3 Cb 0.55 0.00 0.02 0.00 -1.00 0.00 0.00 29.16 28.74 1mks h TRP 3 CO 0.11 0.18 -1.50 1.96 -3.56 0.00 0.00 178.44 175.63 1mks h GLN 4 N 0.00 0.45 -0.45 0.49 1.08 -1.92 -2.59 115.11 112.16 1mks h GLN 4 Ca -0.00 -0.76 -0.06 0.00 -1.45 0.00 0.00 58.65 56.37 1mks h GLN 4 Cb 0.47 0.28 -0.02 0.00 -0.05 0.00 0.00 27.48 28.17 1mks h GLN 4 CO 0.02 1.36 0.02 0.35 -0.95 0.00 0.00 178.83 179.63 1mks h PHE 5 N 0.12 0.76 -0.65 2.96 3.57 -0.59 -0.49 116.94 122.61 1mks h PHE 5 Ca -0.25 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.15 1mks h PHE 5 Cb 2.12 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 40.61 1mks h PHE 5 CO 0.11 0.70 0.37 -0.97 -2.23 0.00 0.00 178.31 176.29 1mks h ASN 6 N 0.68 0.80 -0.34 0.41 -1.24 -0.16 -2.68 115.58 113.05 1mks h ASN 6 Ca 0.14 -0.08 -0.09 0.00 0.71 0.00 0.00 56.30 56.97 1mks h ASN 6 Cb 0.39 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.23 1mks h ASN 6 CO 0.01 0.65 -0.16 1.23 -1.29 0.00 0.00 177.43 177.88 1mks h GLY 7 N 0.89 0.77 1.40 1.57 0.00 -1.03 -2.73 103.07 103.94 1mks h GLY 7 Ca 0.23 -0.69 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 1mks h GLY 7 CO -0.04 0.63 0.28 -0.33 0.00 0.00 0.00 176.54 177.08 1mks h MET 8 N 0.49 0.78 -0.23 4.80 2.86 -0.86 -1.34 114.93 121.43 1mks h MET 8 Ca 0.08 -0.09 -0.19 0.00 -2.06 0.00 0.00 59.70 57.44 1mks h MET 8 Cb 0.69 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1mks h MET 8 CO 0.05 0.60 -0.58 0.82 1.06 0.00 0.00 176.91 178.85 1mks h ILE 9 N 0.79 1.29 0.00 -1.22 2.04 -1.40 -2.54 117.51 116.46 1mks h ILE 9 Ca 0.20 -1.78 -0.01 0.00 1.00 0.00 0.00 64.86 64.26 1mks h ILE 9 Cb 0.07 1.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.94 1mks h ILE 9 CO -0.03 0.57 -0.06 0.11 0.00 0.00 0.00 178.15 178.75 1mks h LYS 10 N 0.55 0.00 -0.59 2.37 1.57 -1.34 0.37 116.57 119.50 1mks h LYS 10 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1mks h LYS 10 Cb 1.20 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.48 1mks h LYS 10 CO 0.13 0.06 0.37 0.00 -0.57 0.00 0.00 179.45 179.44 1mks h LYS 12 N 0.80 0.00 -2.66 0.00 1.79 -1.12 -3.41 116.57 111.97 1mks h LYS 12 Ca 0.21 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 58.09 1mks h LYS 12 Cb -0.05 0.00 -0.39 0.00 -1.58 0.00 0.00 32.23 30.20 1mks h LYS 12 CO -0.04 0.55 -0.83 0.42 -1.08 0.00 0.00 179.45 178.47 1mks s ILE 13 N -2.89 0.97 0.25 1.86 1.01 0.12 -4.95 121.20 117.56 1mks s ILE 13 Ca 0.02 -2.73 0.34 0.00 0.00 0.00 0.00 60.65 58.27 1mks s ILE 13 Cb 0.08 -1.67 0.34 0.00 0.01 0.00 0.00 42.46 41.22 1mks s ILE 13 CO 0.78 -1.08 2.04 -0.65 0.00 0.00 0.00 174.94 176.03 1mks h PRO 14 N 6.09 0.00 -0.01 2.79 0.11 -1.74 -2.34 132.00 136.90 1mks h PRO 14 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1mks h PRO 14 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1mks h PRO 14 CO 0.43 0.00 -0.56 -1.13 -0.21 0.00 0.00 178.00 176.53 1mks n SER 15 N -2.69 1.14 -4.97 -2.05 3.41 -1.26 -4.98 113.62 102.21 1mks n SER 15 Ca -0.02 -0.92 -0.20 0.00 -0.26 0.00 0.00 58.87 57.47 1mks n SER 15 Cb 0.06 0.47 -0.02 0.00 -0.26 0.00 0.00 64.21 64.47 1mks n SER 15 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1mks s SER 16 N -2.74 6.12 -0.67 4.04 1.04 -0.88 -5.06 113.70 115.55 1mks s SER 16 Ca 0.15 -0.06 0.01 0.00 0.48 0.00 0.00 55.95 56.53 1mks s SER 16 Cb 0.18 -1.56 0.17 0.00 0.10 0.00 0.00 66.02 64.90 1mks s SER 16 CO 0.67 -0.22 0.47 -1.61 0.98 0.00 0.00 173.24 173.52 1mks s GLU 17 N -4.05 2.52 0.55 4.02 0.41 -1.26 -4.83 118.70 116.04 1mks s GLU 17 Ca 0.39 -2.92 0.36 0.00 -0.41 0.00 0.00 54.97 52.39 1mks s GLU 17 Cb -0.09 -3.58 1.54 0.00 -1.78 0.00 0.00 34.13 30.21 1mks s GLU 17 CO 0.30 -1.20 1.80 -1.35 -0.49 0.00 0.00 175.26 174.32 1mks h PRO 18 N 6.26 0.00 0.00 0.39 0.11 -1.95 0.23 132.00 137.04 1mks h PRO 18 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1mks h PRO 18 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1mks h PRO 18 CO 0.73 0.00 -0.02 1.28 -0.21 0.00 0.00 178.00 179.79 1mks n LEU 19 N -4.14 0.82 -0.11 2.35 4.77 -1.26 -1.05 117.00 118.38 1mks n LEU 19 Ca 0.24 0.57 -0.18 0.00 -0.03 0.00 0.00 56.01 56.61 1mks n LEU 19 Cb 1.22 -0.31 -0.06 0.00 -2.33 0.00 0.00 43.42 41.93 1mks n LEU 19 CO 0.39 -0.18 -1.01 0.18 -1.33 0.00 0.00 177.39 175.44 1mks n LEU 20 N -2.27 1.86 -0.09 2.23 4.32 0.64 -4.15 117.00 119.55 1mks n LEU 20 Ca 0.06 0.32 -0.04 0.00 -0.02 0.00 0.00 56.01 56.32 1mks n LEU 20 Cb 0.43 -0.74 0.17 0.00 -1.62 0.00 0.00 43.42 41.67 1mks n LEU 20 CO 0.31 0.12 0.87 0.44 -1.22 0.00 0.00 177.39 177.90 1mks h ASP 21 N -0.93 0.72 -0.14 -1.43 3.32 -1.14 -3.29 116.42 113.53 1mks h ASP 21 Ca -0.33 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1mks h ASP 21 Cb 1.25 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.61 1mks h ASP 21 CO -0.20 0.80 0.00 0.49 -1.72 0.00 0.00 179.24 178.61 1mks n PHE 22 N -4.21 0.18 -3.30 4.55 3.01 -0.22 -4.92 117.46 112.55 1mks n PHE 22 Ca 0.02 -0.33 -0.38 0.00 1.01 0.00 0.00 57.45 57.77 1mks n PHE 22 Cb 0.31 -0.02 -0.06 0.00 -0.01 0.00 0.00 39.48 39.69 1mks n PHE 22 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 1mks s ASN 23 N -0.84 6.98 -0.92 4.37 2.47 -1.15 -4.28 114.94 121.57 1mks s ASN 23 Ca 0.12 1.17 -0.04 0.00 0.42 0.00 0.00 52.86 54.52 1mks s ASN 23 Cb 0.07 -2.34 -0.05 0.00 -1.45 0.00 0.00 41.25 37.48 1mks s ASN 23 CO 0.09 0.23 0.80 -3.20 -3.72 0.00 0.00 177.10 171.30 1mks n ASN 24 N 2.06 -5.14 -3.96 -4.21 5.15 -0.53 -4.82 115.26 103.80 1mks n ASN 24 Ca -0.10 -0.59 -0.28 0.00 -0.60 0.00 0.00 54.58 53.02 1mks n ASN 24 Cb 0.51 -4.51 -0.17 0.00 -0.53 0.00 0.00 39.78 35.09 1mks n ASN 24 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1mks s TYR 25 N -3.33 1.70 0.00 1.20 6.14 -0.92 -0.19 117.35 121.95 1mks s TYR 25 Ca 0.31 -0.86 0.00 0.00 0.64 0.00 0.00 57.07 57.16 1mks s TYR 25 Cb -0.04 -1.32 0.00 0.00 0.42 0.00 0.00 41.96 41.02 1mks s TYR 25 CO 0.63 -0.52 0.00 0.41 0.64 0.00 0.00 175.55 176.71 1mks n GLY 26 N 4.69 0.29 0.05 8.97 0.00 0.67 -2.88 105.19 116.98 1mks n GLY 26 Ca -0.15 -0.88 0.11 0.00 0.00 0.00 0.00 46.02 45.10 1mks n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mks n TYR 28 N -2.38 0.00 -2.08 0.00 4.01 -1.26 -3.07 117.16 112.39 1mks n TYR 28 Ca -0.02 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.40 1mks n TYR 28 Cb 0.55 -0.15 -0.04 0.00 -0.31 0.00 0.00 39.34 39.39 1mks n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1mks n GLY 30 N 6.37 0.89 3.59 0.00 0.00 -1.26 -1.46 105.19 113.32 1mks n GLY 30 Ca 0.31 -2.02 -0.52 0.00 0.00 0.00 0.00 46.02 43.79 1mks n GLY 30 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1mks n LEU 31 N 0.00 2.55 0.00 0.99 7.94 -1.26 -4.46 117.00 122.77 1mks n LEU 31 Ca 0.00 0.75 0.00 0.00 -1.11 0.00 0.00 56.01 55.65 1mks n LEU 31 Cb 0.00 -1.26 0.00 0.00 0.53 0.00 0.00 43.42 42.69 1mks n LEU 31 CO 0.00 -0.47 0.00 0.61 -1.11 0.00 0.00 177.39 176.42 1mks n GLY 32 N 5.32 0.91 0.00 -3.96 0.00 -1.26 -5.01 105.19 101.18 1mks n GLY 32 Ca 0.32 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1mks n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mks n GLY 33 N 0.00 4.69 3.60 -0.02 0.00 -1.26 -4.73 105.19 107.47 1mks n GLY 33 Ca 0.00 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 45.17 1mks n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mks s SER 34 N 0.00 -0.40 0.00 1.61 1.04 -1.18 -4.96 113.70 109.82 1mks s SER 34 Ca 0.00 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.21 1mks s SER 34 Cb 0.00 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1mks s SER 34 CO 0.00 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.82 1mks n GLY 35 N -0.39 -1.80 3.74 7.32 0.00 -1.26 -4.75 105.19 108.04 1mks n GLY 35 Ca -0.10 -1.83 -0.37 0.00 0.00 0.00 0.00 46.02 43.72 1mks n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mks s THR 36 N 0.00 5.29 0.37 2.61 2.01 -1.26 -5.05 115.64 119.61 1mks s THR 36 Ca 0.00 0.59 -0.27 0.00 0.31 0.00 0.00 61.69 62.32 1mks s THR 36 Cb 0.00 -3.65 -0.12 0.00 0.01 0.00 0.00 72.50 68.75 1mks s THR 36 CO 0.00 0.40 1.23 -2.65 -0.69 0.00 0.00 174.62 172.90 1mks n PRO 37 N 3.46 1.91 0.18 4.92 -0.02 -1.26 -4.89 135.00 139.31 1mks n PRO 37 Ca -0.12 0.67 0.10 0.00 -2.02 0.00 0.00 63.50 62.14 1mks n PRO 37 Cb 0.52 -2.26 0.11 0.00 -0.02 0.00 0.00 33.50 31.84 1mks n PRO 37 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1mks h VAL 38 N 2.25 0.12 -2.37 -1.45 -1.51 -1.96 -3.47 116.25 107.85 1mks h VAL 38 Ca -0.46 -1.18 0.02 0.00 -1.23 0.00 0.00 66.70 63.86 1mks h VAL 38 Cb 1.30 1.94 -0.00 0.00 -2.13 0.00 0.00 31.29 32.40 1mks h VAL 38 CO 0.61 0.07 0.21 -0.90 -1.23 0.00 0.00 177.57 176.32 1mks n ASP 39 N -3.01 -1.11 0.03 4.19 5.68 -1.26 -5.04 116.55 116.02 1mks n ASP 39 Ca 0.02 -1.71 -0.07 0.00 -0.50 0.00 0.00 54.79 52.54 1mks n ASP 39 Cb 0.57 1.83 0.11 0.00 -1.14 0.00 0.00 41.12 42.49 1mks n ASP 39 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1mks h ASP 40 N 1.05 0.48 -0.34 -1.12 3.32 -1.92 -0.26 116.42 117.62 1mks h ASP 40 Ca -0.17 -0.24 0.01 0.00 0.02 0.00 0.00 57.03 56.65 1mks h ASP 40 Cb 0.65 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 1mks h ASP 40 CO 0.21 0.91 0.20 0.25 -1.72 0.00 0.00 179.24 179.09 1mks h LEU 41 N 0.35 0.34 -1.07 1.55 5.85 -1.94 0.19 115.31 120.57 1mks h LEU 41 Ca 0.01 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 1mks h LEU 41 Cb 1.01 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.95 1mks h LEU 41 CO 0.09 0.24 0.06 -0.78 -0.34 0.00 0.00 178.44 177.72 1mks h ASP 42 N 0.42 0.68 -0.07 1.25 3.58 -1.86 -1.47 116.42 118.95 1mks h ASP 42 Ca 0.13 -0.13 -0.09 0.00 0.42 0.00 0.00 57.03 57.36 1mks h ASP 42 Cb -0.01 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.85 1mks h ASP 42 CO -0.06 0.71 -0.24 -0.09 -2.88 0.00 0.00 179.24 176.69 1mks h ARG 43 N 0.70 0.49 -0.67 0.28 2.43 -0.10 -1.74 114.38 115.77 1mks h ARG 43 Ca 0.15 -0.18 0.07 0.00 -0.81 0.00 0.00 59.98 59.21 1mks h ARG 43 Cb 0.33 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.79 1mks h ARG 43 CO 0.01 0.70 0.36 0.00 -1.51 0.00 0.00 179.97 179.52 1mks h GLN 46 N 0.00 -0.39 -0.54 0.00 4.15 -0.98 -1.15 115.11 116.20 1mks h GLN 46 Ca -0.01 0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.48 1mks h GLN 46 Cb 1.02 0.09 -0.04 0.00 0.21 0.00 0.00 27.48 28.76 1mks h GLN 46 CO 0.07 -0.21 0.29 1.15 -1.93 0.00 0.00 178.83 178.20 1mks h THR 47 N -0.48 0.99 -0.81 2.39 2.02 -1.36 0.25 112.91 115.91 1mks h THR 47 Ca -0.04 -0.19 0.03 0.00 0.77 0.00 0.00 66.41 66.97 1mks h THR 47 Cb 0.36 0.37 -0.05 0.00 -1.74 0.00 0.00 68.15 67.10 1mks h THR 47 CO 0.07 0.10 0.52 -0.74 0.37 0.00 0.00 175.52 175.84 1mks h HIS 48 N 0.57 0.98 -0.72 3.16 -0.00 -1.25 0.94 115.15 118.82 1mks h HIS 48 Ca 0.23 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.57 1mks h HIS 48 Cb 0.11 -0.33 -0.03 0.00 -0.00 0.00 0.00 27.41 27.16 1mks h HIS 48 CO -0.09 0.58 0.24 -0.44 -0.00 0.00 0.00 177.93 178.22 1mks h ASP 49 N 1.03 1.04 -0.44 3.26 5.19 0.13 -1.79 116.42 124.83 1mks h ASP 49 Ca 0.32 -0.20 -0.13 0.00 -0.62 0.00 0.00 57.03 56.40 1mks h ASP 49 Cb -0.02 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.20 1mks h ASP 49 CO -0.10 0.96 -0.22 0.78 -3.12 0.00 0.00 179.24 177.54 1mks h ASN 50 N 1.06 0.97 -0.15 6.45 2.35 0.01 -1.95 115.58 124.33 1mks h ASN 50 Ca 0.24 -0.37 -0.01 0.00 -0.55 0.00 0.00 56.30 55.61 1mks h ASN 50 Cb 0.28 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 1mks h ASN 50 CO -0.01 1.15 0.06 0.00 -1.65 0.00 0.00 177.43 176.98 1mks h PHE 52 N 0.10 0.00 -0.53 0.00 -1.00 -1.36 -1.20 116.94 112.94 1mks h PHE 52 Ca 0.05 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.78 1mks h PHE 52 Cb 0.16 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.70 1mks h PHE 52 CO -0.02 0.07 0.14 0.87 -1.61 0.00 0.00 178.31 177.76 1mks h LYS 53 N 0.00 0.84 0.31 1.51 6.56 -0.85 -2.86 116.57 122.08 1mks h LYS 53 Ca -0.00 -0.20 -0.00 0.00 -1.06 0.00 0.00 60.65 59.39 1mks h LYS 53 Cb 0.12 -0.11 -0.02 0.00 -0.57 0.00 0.00 32.23 31.65 1mks h LYS 53 CO 0.01 0.79 -0.30 1.96 -2.06 0.00 0.00 179.45 179.85 1mks h GLN 54 N 0.74 -0.61 -1.00 3.15 1.08 -0.27 -2.84 115.11 115.36 1mks h GLN 54 Ca 0.17 0.04 0.21 0.00 -1.45 0.00 0.00 58.65 57.62 1mks h GLN 54 Cb 0.32 0.14 -0.10 0.00 -0.05 0.00 0.00 27.48 27.79 1mks h GLN 54 CO -0.00 -0.41 0.62 0.00 -0.95 0.00 0.00 178.83 178.09 1mks h ALA 55 N -0.08 1.82 -0.41 3.87 0.00 -1.25 -0.30 119.26 122.92 1mks h ALA 55 Ca -0.02 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1mks h ALA 55 Cb 0.58 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1mks h ALA 55 CO -0.06 -0.20 0.11 0.87 0.00 0.00 0.00 179.25 179.97 1mks h LYS 56 N 0.66 0.60 -0.96 0.00 1.57 -1.26 -0.72 116.57 116.46 1mks h LYS 56 Ca 0.57 -0.10 -0.19 0.00 -1.87 0.00 0.00 60.65 59.06 1mks h LYS 56 Cb 1.04 -0.10 -0.11 0.00 0.08 0.00 0.00 32.23 33.13 1mks h LYS 56 CO -0.35 0.55 0.24 0.36 -0.57 0.00 0.00 179.45 179.68 1mks n LYS 57 N -4.33 1.83 -3.73 3.15 2.85 -0.13 -4.69 118.16 113.11 1mks n LYS 57 Ca 0.03 -1.41 -0.35 0.00 -1.05 0.00 0.00 58.31 55.53 1mks n LYS 57 Cb 0.19 -1.61 -0.08 0.00 -0.65 0.00 0.00 35.03 32.88 1mks n LYS 57 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1mks s LEU 58 N -1.48 4.16 0.27 -5.58 1.02 -0.28 -4.97 118.68 111.84 1mks s LEU 58 Ca 0.26 0.20 0.00 0.00 0.02 0.00 0.00 54.13 54.61 1mks s LEU 58 Cb 0.22 -2.09 0.59 0.00 0.02 0.00 0.00 46.19 44.93 1mks s LEU 58 CO 0.06 0.16 1.74 0.44 0.02 0.00 0.00 176.35 178.77 1mks h ASP 59 N 6.85 0.48 -0.09 2.29 3.32 -1.87 -0.29 116.42 127.11 1mks h ASP 59 Ca -0.40 0.11 -0.03 0.00 0.02 0.00 0.00 57.03 56.73 1mks h ASP 59 Cb 1.16 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 1mks h ASP 59 CO 0.73 0.16 -0.01 0.28 -1.72 0.00 0.00 179.24 178.69 1mks h SER 60 N 0.57 0.26 1.26 6.45 0.02 -1.93 -2.70 113.55 117.47 1mks h SER 60 Ca 0.49 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 61.33 1mks h SER 60 Cb 0.76 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 1mks h SER 60 CO -0.41 0.32 -0.78 0.00 -1.14 0.00 0.00 176.83 174.83 1mks h LYS 62 N 0.00 0.42 0.00 0.00 6.56 -1.10 -0.34 116.57 122.11 1mks h LYS 62 Ca -0.05 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.52 1mks h LYS 62 Cb 1.28 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 1mks h LYS 62 CO 0.03 0.28 0.00 1.55 -2.06 0.00 0.00 179.45 179.25 1mks n VAL 63 N -5.01 0.12 -2.95 0.50 3.14 -1.26 -4.62 118.33 108.24 1mks n VAL 63 Ca 0.15 0.03 -0.43 0.00 -2.96 0.00 0.00 64.34 61.13 1mks n VAL 63 Cb 0.43 -0.60 -0.05 0.00 -1.06 0.00 0.00 33.84 32.56 1mks n VAL 63 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1mks s LEU 64 N -2.43 4.30 -0.13 6.55 2.96 -0.14 -4.95 118.68 124.84 1mks s LEU 64 Ca 0.29 -0.28 -0.25 0.00 -0.22 0.00 0.00 54.13 53.67 1mks s LEU 64 Cb 0.18 -2.86 -0.22 0.00 0.50 0.00 0.00 46.19 43.78 1mks s LEU 64 CO 0.38 -1.00 0.67 1.62 -1.32 0.00 0.00 176.35 176.70 1mks h VAL 65 N 5.98 1.54 -0.66 1.68 3.04 -1.84 -3.38 116.25 122.60 1mks h VAL 65 Ca -0.25 -2.14 -0.40 0.00 -1.01 0.00 0.00 66.70 62.90 1mks h VAL 65 Cb 1.08 2.90 -0.05 0.00 -2.01 0.00 0.00 31.29 33.21 1mks h VAL 65 CO 0.99 0.52 1.18 -1.81 -1.01 0.00 0.00 177.57 177.45 1mks s ASP 66 N -6.11 5.47 0.05 3.17 1.01 -1.26 -4.89 116.67 114.10 1mks s ASP 66 Ca -0.16 -1.48 0.00 0.00 0.71 0.00 0.00 52.55 51.62 1mks s ASP 66 Cb -0.02 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.33 1mks s ASP 66 CO 0.59 -2.55 0.00 0.59 0.21 0.00 0.00 175.17 174.01 1mks n ASN 67 N 12.85 -0.10 -0.07 0.27 4.13 -1.26 -1.27 115.26 129.81 1mks n ASN 67 Ca 0.43 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.69 1mks n ASN 67 Cb 0.47 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.71 1mks n ASN 67 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1mks n PRO 68 N -0.10 0.00 0.00 3.52 -0.01 -1.26 -1.61 135.00 135.54 1mks n PRO 68 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.49 1mks n PRO 68 Cb 0.00 -0.99 0.00 0.00 -0.01 0.00 0.00 33.50 32.50 1mks n PRO 68 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 175.50 176.47 1mks n TYR 69 N -0.33 -0.00 0.49 6.00 9.36 -1.26 -1.04 117.16 130.37 1mks n TYR 69 Ca 0.00 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.33 1mks n TYR 69 Cb 0.00 0.21 -0.04 0.00 -0.63 0.00 0.00 39.34 38.88 1mks n TYR 69 CO 0.00 0.00 0.00 2.41 0.22 0.00 0.00 176.86 179.49 1mks n THR 70 N -2.80 0.14 -1.70 2.97 -1.04 -1.04 -0.90 114.28 109.92 1mks n THR 70 Ca 0.00 -0.28 -0.33 0.00 -2.04 0.00 0.00 64.05 61.41 1mks n THR 70 Cb 0.29 0.25 0.05 0.00 -1.82 0.00 0.00 70.33 69.11 1mks n THR 70 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1mks s ASN 71 N -3.99 5.05 0.00 8.00 2.47 -0.40 -4.94 114.94 121.14 1mks s ASN 71 Ca 0.02 1.97 0.00 0.00 0.42 0.00 0.00 52.86 55.27 1mks s ASN 71 Cb 0.14 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.40 1mks s ASN 71 CO 0.83 -1.67 0.00 0.59 -3.72 0.00 0.00 177.10 173.14 1mks n ASN 72 N -2.55 0.32 0.00 -4.21 5.03 -1.26 -3.84 115.26 108.75 1mks n ASN 72 Ca 0.10 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.55 1mks n ASN 72 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.28 1mks n ASN 72 CO 0.00 0.00 0.00 2.22 -1.83 0.00 0.00 177.26 177.65 1mks n PHE 73 N 0.00 0.00 -3.96 3.10 1.16 -1.26 -4.76 117.46 111.74 1mks n PHE 73 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.44 1mks n PHE 73 Cb 0.00 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 37.73 1mks n PHE 73 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 1mks s SER 74 N -1.89 0.23 0.26 5.98 1.04 -1.26 -5.08 113.70 112.97 1mks s SER 74 Ca 0.00 -0.03 -0.11 0.00 0.48 0.00 0.00 55.95 56.29 1mks s SER 74 Cb 0.00 -0.04 -0.00 0.00 0.10 0.00 0.00 66.02 66.08 1mks s SER 74 CO 0.00 0.01 0.47 -0.72 0.98 0.00 0.00 173.24 173.98 1mks s TYR 75 N 0.08 0.48 0.01 5.02 1.13 -1.26 -0.97 117.35 121.85 1mks s TYR 75 Ca -0.01 -0.83 0.02 0.00 -1.41 0.00 0.00 57.07 54.84 1mks s TYR 75 Cb -0.02 0.14 -0.01 0.00 -1.10 0.00 0.00 41.96 40.97 1mks s TYR 75 CO -0.00 -1.01 -0.06 -1.54 -2.51 0.00 0.00 175.55 170.42 1mks s SER 76 N -3.05 0.70 -0.23 -0.18 1.04 -0.33 -4.95 113.70 106.70 1mks s SER 76 Ca 0.24 -0.26 -0.08 0.00 0.48 0.00 0.00 55.95 56.33 1mks s SER 76 Cb -0.00 -0.03 -0.04 0.00 0.10 0.00 0.00 66.02 66.05 1mks s SER 76 CO 0.11 -0.04 0.10 0.00 0.98 0.00 0.00 173.24 174.39 1mks s SER 78 N 1.18 0.40 -1.10 0.00 0.15 -0.42 -4.87 113.70 109.05 1mks s SER 78 Ca 0.05 -0.03 -0.12 0.00 0.70 0.00 0.00 55.95 56.56 1mks s SER 78 Cb -0.14 -0.21 0.02 0.00 -1.71 0.00 0.00 66.02 63.97 1mks s SER 78 CO 0.04 -0.10 0.23 -3.20 1.20 0.00 0.00 173.24 171.41 1mks n ASN 79 N 4.09 -0.93 -3.46 5.45 5.15 -1.26 -1.19 115.26 123.11 1mks n ASN 79 Ca -0.27 -1.01 -0.25 0.00 -0.60 0.00 0.00 54.58 52.45 1mks n ASN 79 Cb 0.51 -1.24 0.03 0.00 -0.53 0.00 0.00 39.78 38.55 1mks n ASN 79 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1mks n ASN 80 N -1.87 -5.28 -3.93 1.20 4.13 -1.26 -5.00 115.26 103.25 1mks n ASN 80 Ca -0.18 -0.50 -0.17 0.00 1.68 0.00 0.00 54.58 55.40 1mks n ASN 80 Cb 0.50 -4.24 -0.15 0.00 -1.54 0.00 0.00 39.78 34.35 1mks n ASN 80 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1mks s GLU 81 N -6.15 0.55 -0.12 3.52 -6.30 -0.34 -4.66 118.70 105.21 1mks s GLU 81 Ca 0.48 -0.15 -0.18 0.00 -2.50 0.00 0.00 54.97 52.62 1mks s GLU 81 Cb -0.23 -0.56 -0.04 0.00 0.00 0.00 0.00 34.13 33.29 1mks s GLU 81 CO 0.60 0.05 0.49 0.42 0.02 0.00 0.00 175.26 176.83 1mks s ILE 82 N 0.26 5.18 -0.15 -3.70 1.01 -1.26 -1.30 121.20 121.24 1mks s ILE 82 Ca -0.03 0.98 0.01 0.00 0.00 0.00 0.00 60.65 61.61 1mks s ILE 82 Cb -0.07 -3.83 0.02 0.00 0.01 0.00 0.00 42.46 38.59 1mks s ILE 82 CO -0.00 0.32 -0.17 -0.89 0.00 0.00 0.00 174.94 174.20 1mks s THR 83 N 0.65 1.74 0.20 2.92 2.01 -0.40 -4.99 115.64 117.77 1mks s THR 83 Ca 0.27 -0.75 -0.30 0.00 0.31 0.00 0.00 61.69 61.21 1mks s THR 83 Cb -0.15 -1.59 -0.08 0.00 0.01 0.00 0.00 72.50 70.68 1mks s THR 83 CO 0.11 0.49 0.95 0.00 -0.69 0.00 0.00 174.62 175.48 1mks s SER 85 N -0.83 7.00 0.00 0.00 0.15 -0.14 -4.95 113.70 114.92 1mks s SER 85 Ca 0.43 1.45 0.17 0.00 0.70 0.00 0.00 55.95 58.70 1mks s SER 85 Cb -0.25 -2.43 0.80 0.00 -1.71 0.00 0.00 66.02 62.42 1mks s SER 85 CO 0.32 -0.08 1.53 -1.54 1.20 0.00 0.00 173.24 174.67 1mks n SER 86 N 0.27 0.00 -0.95 5.45 3.41 -1.26 -1.84 113.62 118.70 1mks n SER 86 Ca 0.01 0.28 0.07 0.00 -0.26 0.00 0.00 58.87 58.96 1mks n SER 86 Cb 0.52 -0.40 0.21 0.00 -0.26 0.00 0.00 64.21 64.29 1mks n SER 86 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1mks n GLU 87 N -1.40 2.30 -2.78 4.33 4.71 -1.26 -4.78 120.64 121.77 1mks n GLU 87 Ca 0.06 -1.74 -0.41 0.00 -0.01 0.00 0.00 57.16 55.06 1mks n GLU 87 Cb 0.17 -1.46 -0.04 0.00 -1.01 0.00 0.00 31.44 29.10 1mks n GLU 87 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 1mks s ASN 88 N -0.92 7.36 1.11 1.62 0.02 -0.77 -5.02 114.94 118.34 1mks s ASN 88 Ca 0.32 1.63 -0.18 0.00 -1.02 0.00 0.00 52.86 53.61 1mks s ASN 88 Cb 0.18 -2.55 0.25 0.00 0.02 0.00 0.00 41.25 39.15 1mks s ASN 88 CO 0.20 -0.15 1.19 0.20 0.02 0.00 0.00 177.10 178.55 1mks s ASN 89 N 0.55 1.80 0.17 -1.22 0.01 -1.26 -4.61 114.94 110.38 1mks s ASN 89 Ca 0.48 0.49 -0.14 0.00 -0.71 0.00 0.00 52.86 52.98 1mks s ASN 89 Cb -0.21 -0.66 0.09 0.00 0.41 0.00 0.00 41.25 40.87 1mks s ASN 89 CO 0.27 -3.57 1.80 0.00 -1.51 0.00 0.00 177.10 174.09 1mks h ALA 90 N -2.21 0.59 0.01 0.60 0.00 -1.97 0.79 119.26 117.08 1mks h ALA 90 Ca -0.45 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1mks h ALA 90 Cb 1.27 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1mks h ALA 90 CO 0.36 -0.06 -0.00 0.00 0.00 0.00 0.00 179.25 179.55 1mks h GLU 92 N -0.22 0.00 0.00 0.00 3.07 -1.80 -0.92 114.58 114.71 1mks h GLU 92 Ca -0.00 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.72 1mks h GLU 92 Cb 0.21 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.11 1mks h GLU 92 CO 0.00 0.15 -0.64 0.00 -1.40 0.00 0.00 179.01 177.12 1mks h ALA 93 N 1.85 0.78 0.02 3.43 0.00 -0.67 -0.85 119.26 123.82 1mks h ALA 93 Ca -0.00 -0.59 -0.18 0.00 0.00 0.00 0.00 54.91 54.14 1mks h ALA 93 Cb 0.31 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.01 1mks h ALA 93 CO 0.02 0.80 -0.73 0.35 0.00 0.00 0.00 179.25 179.69 1mks h PHE 94 N 0.00 0.70 -0.22 0.00 3.57 -0.75 -2.81 116.94 117.43 1mks h PHE 94 Ca -0.01 -0.39 0.02 0.00 3.53 0.00 0.00 57.97 61.12 1mks h PHE 94 Cb 1.26 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.91 1mks h PHE 94 CO 0.00 1.23 0.10 0.82 -2.23 0.00 0.00 178.31 178.22 1mks h ILE 95 N -0.03 0.98 -0.68 1.41 1.08 -1.24 -0.91 117.51 118.11 1mks h ILE 95 Ca -0.10 -0.07 0.06 0.00 -0.39 0.00 0.00 64.86 64.36 1mks h ILE 95 Cb 1.44 0.74 -0.04 0.00 -3.07 0.00 0.00 36.82 35.90 1mks h ILE 95 CO 0.14 0.04 0.45 0.00 -0.69 0.00 0.00 178.15 178.09 1mks h ASN 97 N 0.70 0.66 -0.41 0.00 -1.24 -1.10 0.38 115.58 114.56 1mks h ASN 97 Ca 0.29 -0.54 0.07 0.00 0.71 0.00 0.00 56.30 56.83 1mks h ASN 97 Cb 0.26 -0.20 -0.06 0.00 0.73 0.00 0.00 38.32 39.05 1mks h ASN 97 CO -0.09 1.35 0.04 0.00 -1.29 0.00 0.00 177.43 177.44 1mks h ASN 99 N 0.16 0.33 -0.09 0.00 2.35 -1.21 -2.32 115.58 114.80 1mks h ASN 99 Ca 0.20 -0.16 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1mks h ASN 99 Cb 0.27 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 1mks h ASN 99 CO -0.30 0.77 -0.01 -0.09 -1.65 0.00 0.00 177.43 176.16 1mks h ARG 100 N 0.24 0.16 -0.77 0.81 2.43 -0.59 -2.14 114.38 114.52 1mks h ARG 100 Ca 0.01 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1mks h ARG 100 Cb 0.96 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.46 1mks h ARG 100 CO 0.08 0.45 0.44 -0.91 -1.51 0.00 0.00 179.97 178.52 1mks h ASN 101 N -0.14 0.96 -0.03 -3.80 2.35 -1.31 -2.85 115.58 110.76 1mks h ASN 101 Ca 0.02 -0.09 0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1mks h ASN 101 Cb 0.39 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 1mks h ASN 101 CO 0.01 0.77 -0.05 0.00 -1.65 0.00 0.00 177.43 176.50 1mks h ALA 102 N 1.23 -0.02 -0.41 -0.83 0.00 -1.37 -1.38 119.26 116.48 1mks h ALA 102 Ca 0.27 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.21 1mks h ALA 102 Cb 0.01 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1mks h ALA 102 CO -0.05 -0.53 0.27 0.00 0.00 0.00 0.00 179.25 178.94 1mks h ALA 103 N 0.95 1.75 -0.21 0.00 0.00 -1.38 0.35 119.26 120.72 1mks h ALA 103 Ca 0.03 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1mks h ALA 103 Cb 0.12 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.76 1mks h ALA 103 CO -0.07 0.22 -0.64 0.82 0.00 0.00 0.00 179.25 179.58 1mks h ILE 104 N 0.52 1.28 -0.36 0.00 2.04 -1.24 -2.83 117.51 116.92 1mks h ILE 104 Ca 0.16 -1.83 0.01 0.00 1.00 0.00 0.00 64.86 64.19 1mks h ILE 104 Cb -0.00 1.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 1mks h ILE 104 CO -0.04 0.59 0.24 0.00 0.00 0.00 0.00 178.15 178.94 1mks h PHE 106 N 0.48 1.01 0.00 0.00 -1.00 -0.90 -0.20 116.94 116.33 1mks h PHE 106 Ca 0.14 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.95 1mks h PHE 106 Cb -0.04 -0.31 0.00 0.00 3.61 0.00 0.00 35.95 39.21 1mks h PHE 106 CO -0.06 0.36 0.00 -1.13 -1.61 0.00 0.00 178.31 175.88 1mks n SER 107 N -4.70 0.28 -0.78 2.17 3.41 -0.87 -3.19 113.62 109.94 1mks n SER 107 Ca 0.18 0.53 0.10 0.00 -0.26 0.00 0.00 58.87 59.42 1mks n SER 107 Cb 0.37 -0.61 0.09 0.00 -0.26 0.00 0.00 64.21 63.80 1mks n SER 107 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1mks n LYS 108 N -1.77 1.70 -4.37 4.33 4.76 -0.11 -4.99 118.16 117.72 1mks n LYS 108 Ca 0.06 -1.68 -0.27 0.00 -2.87 0.00 0.00 58.31 53.55 1mks n LYS 108 Cb 0.33 -1.37 -0.11 0.00 -1.84 0.00 0.00 35.03 32.04 1mks n LYS 108 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1mks s VAL 109 N -1.55 2.69 0.53 -0.18 -7.23 -1.09 -5.08 120.40 108.49 1mks s VAL 109 Ca 0.23 -1.86 -0.21 0.00 -1.81 0.00 0.00 61.98 58.33 1mks s VAL 109 Cb 0.16 -2.30 -0.05 0.00 0.56 0.00 0.00 36.38 34.74 1mks s VAL 109 CO 0.24 -0.10 1.21 -2.16 -0.31 0.00 0.00 175.10 173.98 1mks s PRO 110 N -2.70 3.34 -0.24 4.82 0.04 -1.26 -4.98 135.00 134.02 1mks s PRO 110 Ca 0.22 1.85 -0.09 0.00 0.04 0.00 0.00 61.00 63.02 1mks s PRO 110 Cb -0.08 -2.17 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 1mks s PRO 110 CO 0.12 -0.92 0.12 -0.47 0.04 0.00 0.00 177.00 175.89 1mks s TYR 111 N -1.55 3.20 -0.33 0.56 6.14 -1.26 -4.57 117.35 119.54 1mks s TYR 111 Ca 0.71 -0.04 -0.05 0.00 0.64 0.00 0.00 57.07 58.32 1mks s TYR 111 Cb -0.31 -2.26 0.04 0.00 0.42 0.00 0.00 41.96 39.86 1mks s TYR 111 CO 0.35 -0.12 0.08 -0.80 0.64 0.00 0.00 175.55 175.70 1mks s ASN 112 N 1.32 5.22 0.31 4.32 0.01 -1.26 -4.96 114.94 119.90 1mks s ASN 112 Ca 0.06 -1.19 0.06 0.00 -0.71 0.00 0.00 52.86 51.09 1mks s ASN 112 Cb -0.15 -1.83 0.84 0.00 0.41 0.00 0.00 41.25 40.52 1mks s ASN 112 CO 0.05 -0.32 1.66 0.11 -1.51 0.00 0.00 177.10 177.10 1mks h LYS 113 N 8.17 0.26 0.00 -0.60 1.57 -1.98 0.35 116.57 124.34 1mks h LYS 113 Ca -0.23 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1mks h LYS 113 Cb 1.08 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.33 1mks h LYS 113 CO 0.59 0.17 0.01 0.39 -0.57 0.00 0.00 179.45 180.04 1mks n GLU 114 N -5.15 0.13 -0.10 3.15 4.71 -1.26 -2.40 120.64 119.72 1mks n GLU 114 Ca 0.25 0.63 0.07 0.00 -0.01 0.00 0.00 57.16 58.10 1mks n GLU 114 Cb 0.78 -1.94 0.11 0.00 -1.01 0.00 0.00 31.44 29.38 1mks n GLU 114 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1mks n HIS 115 N -2.21 0.25 -2.74 -0.32 8.25 0.12 -4.83 115.22 113.75 1mks n HIS 115 Ca -0.01 -0.22 -0.42 0.00 -0.26 0.00 0.00 57.72 56.80 1mks n HIS 115 Cb 0.04 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.11 1mks n HIS 115 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1mks s LYS 116 N -1.08 4.34 -0.72 -0.41 2.47 -1.01 -0.24 119.74 123.10 1mks s LYS 116 Ca 0.21 1.28 -0.03 0.00 -1.56 0.00 0.00 55.97 55.87 1mks s LYS 116 Cb 0.13 -3.58 0.00 0.00 -1.46 0.00 0.00 37.83 32.92 1mks s LYS 116 CO 0.18 -0.41 0.62 0.09 0.16 0.00 0.00 175.35 175.99 1mks n ASN 117 N 5.45 -3.61 -4.72 1.43 3.02 0.73 -4.94 115.26 112.62 1mks n ASN 117 Ca 0.08 -0.31 -0.42 0.00 -0.03 0.00 0.00 54.58 53.90 1mks n ASN 117 Cb 0.48 -3.03 -0.03 0.00 -0.61 0.00 0.00 39.78 36.59 1mks n ASN 117 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1mks s LEU 118 N -4.46 4.38 -0.17 3.41 1.98 -1.18 -4.86 118.68 117.77 1mks s LEU 118 Ca 0.21 2.47 -0.31 0.00 -2.89 0.00 0.00 54.13 53.61 1mks s LEU 118 Cb -0.09 -3.60 -0.09 0.00 0.66 0.00 0.00 46.19 43.07 1mks s LEU 118 CO 0.40 -0.70 2.09 -0.67 -1.89 0.00 0.00 176.35 175.58 1mks n ASP 119 N 3.60 3.25 0.00 3.68 2.03 -1.26 -4.82 116.55 123.03 1mks n ASP 119 Ca 0.11 0.56 0.01 0.00 0.52 0.00 0.00 54.79 55.99 1mks n ASP 119 Cb 0.41 -1.45 0.07 0.00 -0.72 0.00 0.00 41.12 39.43 1mks n ASP 119 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1mks n LYS 120 N 7.91 0.21 0.08 -0.67 4.01 -1.26 -0.62 118.16 127.83 1mks n LYS 120 Ca 0.29 0.00 0.13 0.00 -0.51 0.00 0.00 58.31 58.22 1mks n LYS 120 Cb 0.36 -1.18 0.47 0.00 -0.51 0.00 0.00 35.03 34.17 1mks n LYS 120 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 1mks n LYS 121 N -0.68 0.18 -0.04 1.97 3.00 -1.26 -3.28 118.16 118.05 1mks n LYS 121 Ca 0.02 0.18 0.12 0.00 -0.00 0.00 0.00 58.31 58.63 1mks n LYS 121 Cb 0.01 -1.72 0.48 0.00 0.00 0.00 0.00 35.03 33.79 1mks n LYS 121 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1mks n ASN 122 N -2.04 1.45 0.00 3.14 3.02 0.21 -5.23 115.26 115.82 1mks n ASN 122 Ca 0.06 -1.57 0.00 0.00 -0.03 0.00 0.00 54.58 53.04 1mks n ASN 122 Cb 0.38 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 1mks n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64