#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o2e h LEU 2 N 0.00 0.76 -0.99 0.00 5.85 -0.98 -1.24 115.31 118.72 1o2e h LEU 2 Ca 0.00 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 1o2e h LEU 2 Cb 0.00 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1o2e h LEU 2 CO 0.00 0.38 -0.07 -0.50 -0.34 0.00 0.00 178.44 177.91 1o2e h TRP 3 N 0.84 0.69 -0.41 1.25 4.06 -1.98 -2.05 115.95 118.36 1o2e h TRP 3 Ca 0.47 -0.10 -0.07 0.00 2.06 0.00 0.00 58.89 61.25 1o2e h TRP 3 Cb 0.53 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 28.49 1o2e h TRP 3 CO -0.04 0.70 -0.00 1.96 -3.56 0.00 0.00 178.44 177.50 1o2e h GLN 4 N 0.60 0.72 -0.79 0.49 7.50 -1.65 -2.88 115.11 119.10 1o2e h GLN 4 Ca 0.11 -0.23 -0.00 0.00 0.50 0.00 0.00 58.65 59.03 1o2e h GLN 4 Cb 0.49 -0.06 -0.04 0.00 0.05 0.00 0.00 27.48 27.92 1o2e h GLN 4 CO 0.03 0.81 0.48 0.35 -1.50 0.00 0.00 178.83 179.00 1o2e h PHE 5 N 0.55 1.04 0.05 2.96 3.57 -1.07 -0.23 116.94 123.80 1o2e h PHE 5 Ca 0.11 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1o2e h PHE 5 Cb 0.49 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1o2e h PHE 5 CO 0.04 0.69 -0.06 -0.97 -2.23 0.00 0.00 178.31 175.77 1o2e h ASN 6 N 1.09 -0.16 0.23 0.41 -1.24 -1.19 -1.08 115.58 113.64 1o2e h ASN 6 Ca 0.29 0.02 -0.08 0.00 0.71 0.00 0.00 56.30 57.23 1o2e h ASN 6 Cb -0.05 0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.04 1o2e h ASN 6 CO -0.05 -0.09 -0.33 1.23 -1.29 0.00 0.00 177.43 176.89 1o2e h GLY 7 N -0.13 0.16 1.05 1.57 0.00 -1.28 -2.47 103.07 101.97 1o2e h GLY 7 Ca 0.01 -0.13 -0.07 0.00 0.00 0.00 0.00 47.33 47.14 1o2e h GLY 7 CO -0.03 0.12 0.17 1.98 0.00 0.00 0.00 176.54 178.79 1o2e h MET 8 N 0.13 1.09 -0.01 4.80 4.05 -0.53 -1.56 114.93 122.90 1o2e h MET 8 Ca 0.02 -0.26 -0.14 0.00 -0.28 0.00 0.00 59.70 59.03 1o2e h MET 8 Cb 0.65 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 31.29 1o2e h MET 8 CO 0.05 0.97 -0.66 0.82 0.23 0.00 0.00 176.91 178.32 1o2e h ILE 9 N 1.03 1.46 0.00 1.77 2.04 -0.97 -2.76 117.51 120.08 1o2e h ILE 9 Ca 0.22 -2.23 0.00 0.00 1.00 0.00 0.00 64.86 63.85 1o2e h ILE 9 Cb 0.36 2.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.64 1o2e h ILE 9 CO 0.00 0.64 0.00 0.11 0.00 0.00 0.00 178.15 178.90 1o2e h LYS 10 N 0.03 0.00 -0.46 2.37 1.57 -1.15 0.52 116.57 119.45 1o2e h LYS 10 Ca -0.01 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 1o2e h LYS 10 Cb 1.17 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.47 1o2e h LYS 10 CO 0.09 0.00 -0.23 0.00 -0.57 0.00 0.00 179.45 178.74 1o2e h LYS 12 N 0.82 0.24 -3.11 0.00 1.79 -1.52 -3.41 116.57 111.38 1o2e h LYS 12 Ca 0.11 -0.41 -0.62 0.00 -2.18 0.00 0.00 60.65 57.54 1o2e h LYS 12 Cb 0.80 0.15 -0.41 0.00 -1.58 0.00 0.00 32.23 31.19 1o2e h LYS 12 CO 0.07 1.08 -0.65 0.42 -1.08 0.00 0.00 179.45 179.29 1o2e s ILE 13 N -2.59 2.33 0.54 1.86 1.01 0.15 -4.98 121.20 119.53 1o2e s ILE 13 Ca -0.14 -3.54 0.26 0.00 0.00 0.00 0.00 60.65 57.23 1o2e s ILE 13 Cb 0.07 -2.58 0.39 0.00 0.01 0.00 0.00 42.46 40.35 1o2e s ILE 13 CO 0.82 -0.94 1.99 -0.65 0.00 0.00 0.00 174.94 176.17 1o2e h PRO 14 N 6.00 0.00 -0.26 2.79 0.11 -1.67 -3.05 132.00 135.93 1o2e h PRO 14 Ca 0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1o2e h PRO 14 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1o2e h PRO 14 CO 0.64 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.30 1o2e n SER 15 N -4.23 1.92 -4.49 -2.05 3.41 -1.26 -4.96 113.62 101.95 1o2e n SER 15 Ca 0.09 -1.83 -0.25 0.00 -0.26 0.00 0.00 58.87 56.62 1o2e n SER 15 Cb 0.59 -0.17 -0.10 0.00 -0.26 0.00 0.00 64.21 64.27 1o2e n SER 15 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1o2e s SER 16 N -1.36 3.63 -0.62 4.04 1.04 -1.15 -5.07 113.70 114.21 1o2e s SER 16 Ca 0.30 -1.08 -0.07 0.00 0.48 0.00 0.00 55.95 55.58 1o2e s SER 16 Cb 0.16 -0.31 0.16 0.00 0.10 0.00 0.00 66.02 66.13 1o2e s SER 16 CO 0.23 -0.03 0.48 -1.61 0.98 0.00 0.00 173.24 173.29 1o2e s GLU 17 N -3.54 2.74 0.28 4.02 0.41 -1.26 -4.80 118.70 116.55 1o2e s GLU 17 Ca 0.31 -2.29 0.00 0.00 -0.41 0.00 0.00 54.97 52.58 1o2e s GLU 17 Cb -0.03 -3.93 0.66 0.00 -1.78 0.00 0.00 34.13 29.05 1o2e s GLU 17 CO 0.15 -1.20 1.65 -1.35 -0.49 0.00 0.00 175.26 174.03 1o2e h PRO 18 N 7.60 0.21 -0.03 0.39 0.11 -1.94 0.11 132.00 138.45 1o2e h PRO 18 Ca -0.04 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 66.06 1o2e h PRO 18 Cb 1.01 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 1o2e h PRO 18 CO 0.76 0.14 0.11 -0.07 -0.21 0.00 0.00 178.00 178.73 1o2e h LEU 19 N 0.21 0.00 0.00 2.35 -0.00 -1.93 -1.53 115.31 114.41 1o2e h LEU 19 Ca 0.52 0.00 -0.32 0.00 -0.00 0.00 0.00 57.88 58.09 1o2e h LEU 19 Cb 1.03 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.64 1o2e h LEU 19 CO -0.64 0.00 -2.03 0.18 -0.00 0.00 0.00 178.44 175.95 1o2e n LEU 20 N -3.23 1.79 0.07 1.67 4.77 0.23 -4.07 117.00 118.23 1o2e n LEU 20 Ca -0.02 0.31 -0.01 0.00 -0.03 0.00 0.00 56.01 56.26 1o2e n LEU 20 Cb 0.19 -0.73 0.27 0.00 -2.33 0.00 0.00 43.42 40.81 1o2e n LEU 20 CO 0.20 0.31 0.76 0.44 -1.33 0.00 0.00 177.39 177.77 1o2e h ASP 21 N -0.90 0.33 -0.01 -1.43 3.32 -1.10 -3.28 116.42 113.35 1o2e h ASP 21 Ca -0.48 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.47 1o2e h ASP 21 Cb 1.39 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.85 1o2e h ASP 21 CO -0.29 0.59 -0.34 0.49 -1.72 0.00 0.00 179.24 177.98 1o2e n PHE 22 N -4.14 0.00 -3.10 4.55 3.72 -0.58 -4.92 117.46 112.98 1o2e n PHE 22 Ca -0.01 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.02 1o2e n PHE 22 Cb 0.38 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.86 1o2e n PHE 22 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1o2e s ASN 23 N -1.81 7.10 -1.06 4.37 2.47 -1.23 -4.13 114.94 120.66 1o2e s ASN 23 Ca 0.11 1.43 -0.10 0.00 0.42 0.00 0.00 52.86 54.72 1o2e s ASN 23 Cb 0.11 -2.42 -0.05 0.00 -1.45 0.00 0.00 41.25 37.44 1o2e s ASN 23 CO 0.38 0.08 0.87 0.59 -3.72 0.00 0.00 177.10 175.31 1o2e n ASN 24 N 0.94 -6.32 -3.83 -4.21 4.13 -0.20 -4.76 115.26 101.01 1o2e n ASN 24 Ca -0.04 -0.77 -0.24 0.00 1.68 0.00 0.00 54.58 55.21 1o2e n ASN 24 Cb 0.51 -4.66 -0.17 0.00 -1.54 0.00 0.00 39.78 33.92 1o2e n ASN 24 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1o2e s TYR 25 N -3.39 0.95 0.00 3.10 6.14 -0.75 0.01 117.35 123.42 1o2e s TYR 25 Ca 0.44 -0.36 0.00 0.00 0.64 0.00 0.00 57.07 57.79 1o2e s TYR 25 Cb -0.09 -0.93 0.00 0.00 0.42 0.00 0.00 41.96 41.36 1o2e s TYR 25 CO 0.78 -0.37 0.00 0.41 0.64 0.00 0.00 175.55 177.01 1o2e n GLY 26 N 4.93 0.12 0.00 8.97 0.00 -1.07 -2.41 105.19 115.73 1o2e n GLY 26 Ca -0.11 -0.97 0.12 0.00 0.00 0.00 0.00 46.02 45.06 1o2e n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1o2e n TYR 28 N -1.53 0.00 -2.02 0.00 4.02 -1.25 -2.76 117.16 113.61 1o2e n TYR 28 Ca 0.06 0.00 -0.39 0.00 -0.01 0.00 0.00 57.90 57.56 1o2e n TYR 28 Cb 0.34 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.63 1o2e n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1o2e n GLY 30 N 5.70 2.90 3.69 0.00 0.00 -1.26 -1.03 105.19 115.19 1o2e n GLY 30 Ca 0.21 -1.79 -0.52 0.00 0.00 0.00 0.00 46.02 43.91 1o2e n GLY 30 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1o2e n LEU 31 N 0.00 2.95 0.00 0.99 -0.00 -1.26 -4.57 117.00 115.11 1o2e n LEU 31 Ca 0.00 1.02 0.00 0.00 -0.00 0.00 0.00 56.01 57.03 1o2e n LEU 31 Cb 0.00 -1.27 0.00 0.00 -0.00 0.00 0.00 43.42 42.15 1o2e n LEU 31 CO 0.00 -0.24 0.00 0.61 -0.00 0.00 0.00 177.39 177.76 1o2e n GLY 32 N 4.28 -1.77 0.00 -3.96 0.00 -1.26 -5.09 105.19 97.39 1o2e n GLY 32 Ca 0.24 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.56 1o2e n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o2e n GLY 33 N 0.00 4.15 3.68 -0.02 0.00 -1.26 -4.73 105.19 107.01 1o2e n GLY 33 Ca 0.00 -0.60 -0.03 0.00 0.00 0.00 0.00 46.02 45.39 1o2e n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1o2e s SER 34 N 0.00 -0.17 0.05 1.61 1.04 -1.11 -5.01 113.70 110.11 1o2e s SER 34 Ca 0.00 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.16 1o2e s SER 34 Cb 0.00 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1o2e s SER 34 CO 0.00 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.15 1o2e n GLY 35 N -0.43 -1.95 3.69 7.32 0.00 -1.26 -4.73 105.19 107.83 1o2e n GLY 35 Ca -0.07 -1.39 -0.39 0.00 0.00 0.00 0.00 46.02 44.18 1o2e n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1o2e s THR 36 N 0.00 5.14 0.26 2.61 2.01 -1.26 -5.03 115.64 119.37 1o2e s THR 36 Ca 0.00 0.94 -0.30 0.00 0.31 0.00 0.00 61.69 62.64 1o2e s THR 36 Cb 0.00 -3.83 -0.14 0.00 0.01 0.00 0.00 72.50 68.54 1o2e s THR 36 CO 0.00 0.24 1.22 -2.65 -0.69 0.00 0.00 174.62 172.74 1o2e n PRO 37 N 4.34 1.68 0.08 4.92 -0.02 -1.26 -4.86 135.00 139.88 1o2e n PRO 37 Ca -0.06 0.59 -0.11 0.00 -2.02 0.00 0.00 63.50 61.90 1o2e n PRO 37 Cb 0.51 -2.12 -0.06 0.00 -0.02 0.00 0.00 33.50 31.81 1o2e n PRO 37 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1o2e h VAL 38 N 2.57 1.50 -3.80 -1.45 -1.51 -1.96 -3.48 116.25 108.12 1o2e h VAL 38 Ca -0.43 -2.79 -0.18 0.00 -1.23 0.00 0.00 66.70 62.08 1o2e h VAL 38 Cb 1.31 2.62 -0.07 0.00 -2.13 0.00 0.00 31.29 33.03 1o2e h VAL 38 CO 0.68 0.81 -0.08 1.51 -1.23 0.00 0.00 177.57 179.26 1o2e s ASP 39 N -7.00 0.51 0.27 4.19 1.47 -1.26 -5.02 116.67 109.84 1o2e s ASP 39 Ca -0.03 -1.30 -0.01 0.00 1.18 0.00 0.00 52.55 52.39 1o2e s ASP 39 Cb 0.09 0.68 0.48 0.00 -0.34 0.00 0.00 42.92 43.83 1o2e s ASP 39 CO 0.85 -1.34 1.86 0.44 0.68 0.00 0.00 175.17 177.66 1o2e h ASP 40 N 2.12 0.99 -0.79 2.11 3.32 -1.92 0.17 116.42 122.42 1o2e h ASP 40 Ca -0.29 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.78 1o2e h ASP 40 Cb 1.24 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.58 1o2e h ASP 40 CO 0.38 0.58 0.45 0.25 -1.72 0.00 0.00 179.24 179.19 1o2e h LEU 41 N 1.10 0.97 -1.21 1.55 5.85 -1.94 0.50 115.31 122.13 1o2e h LEU 41 Ca 0.47 -0.08 -0.08 0.00 0.84 0.00 0.00 57.88 59.03 1o2e h LEU 41 Cb 0.32 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1o2e h LEU 41 CO -0.22 0.77 -0.36 -0.78 -0.34 0.00 0.00 178.44 177.51 1o2e h ASP 42 N 1.09 0.00 0.40 1.25 3.58 -1.52 -2.18 116.42 119.04 1o2e h ASP 42 Ca 0.28 0.00 -0.18 0.00 0.42 0.00 0.00 57.03 57.55 1o2e h ASP 42 Cb -0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 1o2e h ASP 42 CO -0.05 0.36 -0.74 -0.09 -2.88 0.00 0.00 179.24 175.84 1o2e h ARG 43 N 0.00 0.28 -0.51 0.28 2.43 0.15 -1.57 114.38 115.45 1o2e h ARG 43 Ca -0.00 -0.24 0.03 0.00 -0.81 0.00 0.00 59.98 58.95 1o2e h ARG 43 Cb 0.73 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.30 1o2e h ARG 43 CO 0.05 0.90 0.29 0.00 -1.51 0.00 0.00 179.97 179.70 1o2e h GLN 46 N 0.81 -0.10 -0.97 0.00 4.15 -0.66 0.17 115.11 118.51 1o2e h GLN 46 Ca 0.15 0.01 0.05 0.00 0.77 0.00 0.00 58.65 59.63 1o2e h GLN 46 Cb 0.48 0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.13 1o2e h GLN 46 CO 0.02 -0.07 0.63 1.15 -1.93 0.00 0.00 178.83 178.63 1o2e h THR 47 N -0.11 1.12 -0.68 2.39 2.02 -1.22 -0.41 112.91 116.02 1o2e h THR 47 Ca 0.03 -0.40 -0.06 0.00 0.77 0.00 0.00 66.41 66.75 1o2e h THR 47 Cb 0.15 -0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.37 1o2e h THR 47 CO -0.07 0.21 0.19 -0.74 0.37 0.00 0.00 175.52 175.48 1o2e h HIS 48 N 1.17 1.10 -0.50 3.16 -0.00 -0.65 -0.51 115.15 118.93 1o2e h HIS 48 Ca 0.40 -0.11 -0.05 0.00 -0.00 0.00 0.00 60.37 60.61 1o2e h HIS 48 Cb 0.09 -0.32 -0.02 0.00 -0.00 0.00 0.00 27.41 27.16 1o2e h HIS 48 CO -0.01 0.88 0.13 -0.44 -0.00 0.00 0.00 177.93 178.50 1o2e h ASP 49 N 1.01 0.75 -0.53 3.26 5.19 0.67 -2.16 116.42 124.62 1o2e h ASP 49 Ca 0.22 -0.23 -0.05 0.00 -0.62 0.00 0.00 57.03 56.35 1o2e h ASP 49 Cb 0.32 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 39.61 1o2e h ASP 49 CO -0.00 0.78 0.17 0.78 -3.12 0.00 0.00 179.24 177.85 1o2e h ASN 50 N 0.69 0.81 -0.70 6.45 2.35 -0.70 -1.41 115.58 123.07 1o2e h ASN 50 Ca 0.16 -0.14 0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1o2e h ASN 50 Cb 0.32 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.44 1o2e h ASN 50 CO 0.00 0.77 0.44 0.00 -1.65 0.00 0.00 177.43 177.00 1o2e h TYR 52 N 0.88 0.65 -0.53 0.00 -1.99 -0.93 -0.32 116.97 114.72 1o2e h TYR 52 Ca 0.27 -0.11 0.02 0.00 2.00 0.00 0.00 58.73 60.91 1o2e h TYR 52 Cb -0.01 -0.17 -0.03 0.00 2.00 0.00 0.00 36.73 38.52 1o2e h TYR 52 CO -0.04 0.71 0.35 0.52 -0.00 0.00 0.00 178.16 179.71 1o2e h MET 53 N 0.40 0.63 -0.08 4.88 2.86 -0.73 -1.00 114.93 121.88 1o2e h MET 53 Ca 0.09 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.62 1o2e h MET 53 Cb 0.46 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1o2e h MET 53 CO 0.02 0.41 -0.23 0.37 1.06 0.00 0.00 176.91 178.54 1o2e h GLN 54 N 0.64 0.30 -0.99 1.72 5.75 -0.53 -3.23 115.11 118.77 1o2e h GLN 54 Ca 0.21 -0.21 0.09 0.00 -0.15 0.00 0.00 58.65 58.58 1o2e h GLN 54 Cb 0.04 0.03 -0.07 0.00 1.07 0.00 0.00 27.48 28.55 1o2e h GLN 54 CO -0.05 0.83 0.63 0.00 -2.65 0.00 0.00 178.83 177.59 1o2e h ALA 55 N 0.47 1.43 0.00 3.38 0.00 -0.43 -0.41 119.26 123.71 1o2e h ALA 55 Ca -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1o2e h ALA 55 Cb 0.84 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1o2e h ALA 55 CO 0.05 0.35 -0.00 0.52 0.00 0.00 0.00 179.25 180.16 1o2e h MET 56 N 1.09 0.00 -0.06 0.00 2.86 -1.22 -1.54 114.93 116.06 1o2e h MET 56 Ca 0.45 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.09 1o2e h MET 56 Cb 0.29 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1o2e h MET 56 CO -0.21 0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.39 1o2e n LYS 57 N -3.12 1.67 -2.85 1.72 5.02 -0.16 -4.57 118.16 115.88 1o2e n LYS 57 Ca -0.02 -0.98 -0.41 0.00 -2.02 0.00 0.00 58.31 54.87 1o2e n LYS 57 Cb 0.12 -1.45 -0.04 0.00 -0.02 0.00 0.00 35.03 33.64 1o2e n LYS 57 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1o2e s LEU 58 N -1.87 4.29 0.35 -0.35 1.43 -0.58 -4.93 118.68 117.03 1o2e s LEU 58 Ca 0.36 1.39 0.14 0.00 -1.03 0.00 0.00 54.13 55.00 1o2e s LEU 58 Cb 0.20 -3.35 1.05 0.00 0.03 0.00 0.00 46.19 44.13 1o2e s LEU 58 CO 0.31 -0.27 1.69 0.44 0.23 0.00 0.00 176.35 178.75 1o2e h ASP 59 N 6.95 0.54 0.36 2.29 3.32 -1.90 0.40 116.42 128.38 1o2e h ASP 59 Ca -0.37 0.16 -0.07 0.00 0.02 0.00 0.00 57.03 56.77 1o2e h ASP 59 Cb 1.18 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 1o2e h ASP 59 CO 0.79 -0.05 -0.33 0.28 -1.72 0.00 0.00 179.24 178.21 1o2e h SER 60 N 0.39 0.00 1.03 6.45 0.02 -1.93 -2.93 113.55 116.58 1o2e h SER 60 Ca 0.70 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 61.48 1o2e h SER 60 Cb 1.59 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 64.10 1o2e h SER 60 CO -0.53 0.33 -1.02 0.00 -1.14 0.00 0.00 176.83 174.47 1o2e h LYS 62 N 0.00 0.26 -0.59 0.00 1.57 -1.15 -3.19 116.57 113.47 1o2e h LYS 62 Ca -0.08 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 1o2e h LYS 62 Cb 1.63 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.90 1o2e h LYS 62 CO 0.08 0.60 0.30 -0.24 -0.57 0.00 0.00 179.45 179.63 1o2e h VAL 63 N 0.22 1.20 -3.64 0.50 3.04 -1.66 -3.43 116.25 112.48 1o2e h VAL 63 Ca 0.02 -0.54 -0.51 0.00 -1.01 0.00 0.00 66.70 64.67 1o2e h VAL 63 Cb 0.77 0.48 -0.03 0.00 -2.01 0.00 0.00 31.29 30.50 1o2e h VAL 63 CO 0.06 0.22 0.07 -1.48 -1.01 0.00 0.00 177.57 175.43 1o2e s LEU 64 N -9.91 4.15 0.00 3.16 0.05 -1.21 -4.97 118.68 109.96 1o2e s LEU 64 Ca -0.13 1.27 0.29 0.00 0.05 0.00 0.00 54.13 55.61 1o2e s LEU 64 Cb 0.13 -3.88 1.31 0.00 -2.05 0.00 0.00 46.19 41.69 1o2e s LEU 64 CO 0.78 -0.12 1.96 0.55 -0.55 0.00 0.00 176.35 178.96 1o2e n VAL 65 N -0.02 0.02 -2.17 1.48 3.14 -1.26 -4.88 118.33 114.64 1o2e n VAL 65 Ca 0.01 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 61.00 1o2e n VAL 65 Cb 0.52 -0.51 -0.02 0.00 -1.06 0.00 0.00 33.84 32.77 1o2e n VAL 65 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1o2e s ASP 66 N -2.88 6.75 0.23 6.55 1.01 -1.26 -5.03 116.67 122.04 1o2e s ASP 66 Ca 0.18 2.60 -0.05 0.00 0.71 0.00 0.00 52.55 55.98 1o2e s ASP 66 Cb 0.19 -2.64 -0.06 0.00 1.01 0.00 0.00 42.92 41.42 1o2e s ASP 66 CO 0.50 -0.54 0.49 0.21 0.21 0.00 0.00 175.17 176.04 1o2e s ASN 67 N -0.63 6.49 0.59 0.27 2.47 -1.26 -4.83 114.94 118.04 1o2e s ASN 67 Ca 0.50 0.69 0.29 0.00 0.42 0.00 0.00 52.86 54.76 1o2e s ASN 67 Cb -0.38 -2.13 1.54 0.00 -1.45 0.00 0.00 41.25 38.83 1o2e s ASN 67 CO 0.49 -0.09 1.97 -0.65 -3.72 0.00 0.00 177.10 175.11 1o2e h PRO 68 N 2.21 0.00 0.00 0.43 0.11 -1.96 0.69 132.00 133.48 1o2e h PRO 68 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1o2e h PRO 68 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1o2e h PRO 68 CO 0.69 0.00 -0.59 1.88 -0.21 0.00 0.00 178.00 179.77 1o2e h TYR 69 N 0.00 0.00 -0.05 0.65 0.05 -1.93 -3.36 116.97 112.33 1o2e h TYR 69 Ca 0.16 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.94 1o2e h TYR 69 Cb 0.92 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.66 1o2e h TYR 69 CO 0.00 0.00 0.00 0.25 -1.05 0.00 0.00 178.16 177.36 1o2e n THR 70 N -2.79 0.19 -3.13 -2.88 -2.24 0.12 -0.48 114.28 103.07 1o2e n THR 70 Ca 0.02 -0.60 -0.43 0.00 -2.27 0.00 0.00 64.05 60.77 1o2e n THR 70 Cb 0.53 1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 69.72 1o2e n THR 70 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1o2e s ASN 71 N -0.65 6.26 0.17 3.42 3.84 0.20 -4.68 114.94 123.50 1o2e s ASN 71 Ca 0.09 -0.69 -0.30 0.00 0.21 0.00 0.00 52.86 52.17 1o2e s ASN 71 Cb 0.06 -2.31 -0.08 0.00 -0.55 0.00 0.00 41.25 38.38 1o2e s ASN 71 CO 0.09 -0.87 1.20 0.20 -2.79 0.00 0.00 177.10 174.93 1o2e s ASN 72 N 2.45 7.09 0.30 -4.21 0.01 -1.26 0.93 114.94 120.25 1o2e s ASN 72 Ca 0.18 2.21 0.03 0.00 -0.71 0.00 0.00 52.86 54.57 1o2e s ASN 72 Cb -0.17 -2.60 -0.05 0.00 0.41 0.00 0.00 41.25 38.83 1o2e s ASN 72 CO 0.15 -0.38 0.09 -0.72 -1.51 0.00 0.00 177.10 174.72 1o2e s TYR 73 N 0.05 1.75 -0.08 2.20 -0.85 -1.26 -4.80 117.35 114.37 1o2e s TYR 73 Ca 0.53 -1.11 -0.03 0.00 -0.52 0.00 0.00 57.07 55.94 1o2e s TYR 73 Cb -0.32 -1.09 -0.04 0.00 0.38 0.00 0.00 41.96 40.89 1o2e s TYR 73 CO 0.36 -0.20 0.07 -1.12 -1.52 0.00 0.00 175.55 173.14 1o2e s SER 74 N -3.42 5.77 0.20 -0.18 0.01 -1.26 -4.86 113.70 109.96 1o2e s SER 74 Ca 0.36 0.26 -0.24 0.00 1.31 0.00 0.00 55.95 57.65 1o2e s SER 74 Cb 0.08 -1.73 0.05 0.00 0.21 0.00 0.00 66.02 64.62 1o2e s SER 74 CO 0.15 0.36 0.86 -0.72 0.41 0.00 0.00 173.24 174.30 1o2e s TYR 75 N -1.02 -0.17 0.05 2.43 1.13 -1.26 -2.09 117.35 116.42 1o2e s TYR 75 Ca 0.16 -0.19 -0.02 0.00 -1.41 0.00 0.00 57.07 55.62 1o2e s TYR 75 Cb -0.12 0.66 -0.03 0.00 -1.10 0.00 0.00 41.96 41.37 1o2e s TYR 75 CO 0.06 -0.97 -0.01 -1.54 -2.51 0.00 0.00 175.55 170.58 1o2e s SER 76 N -2.92 0.43 -0.06 -0.18 1.04 -0.61 -4.93 113.70 106.48 1o2e s SER 76 Ca 0.11 -0.91 0.05 0.00 0.48 0.00 0.00 55.95 55.68 1o2e s SER 76 Cb -0.03 0.20 -0.00 0.00 0.10 0.00 0.00 66.02 66.29 1o2e s SER 76 CO 0.03 -0.58 -0.20 0.00 0.98 0.00 0.00 173.24 173.46 1o2e s SER 78 N 0.07 -0.91 -1.40 0.00 0.15 -0.45 -4.88 113.70 106.27 1o2e s SER 78 Ca -0.07 1.45 -0.09 0.00 0.70 0.00 0.00 55.95 57.94 1o2e s SER 78 Cb -0.14 1.42 0.06 0.00 -1.71 0.00 0.00 66.02 65.65 1o2e s SER 78 CO 0.04 -0.23 0.61 0.59 1.20 0.00 0.00 173.24 175.44 1o2e n ASN 79 N 4.45 -4.55 -1.97 5.45 4.13 -1.26 0.11 115.26 121.62 1o2e n ASN 79 Ca -0.19 -0.43 -0.20 0.00 1.68 0.00 0.00 54.58 55.44 1o2e n ASN 79 Cb 0.57 -3.71 -0.05 0.00 -1.54 0.00 0.00 39.78 35.06 1o2e n ASN 79 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1o2e n ASN 80 N -2.44 -5.65 -4.43 6.41 4.13 -1.26 -4.98 115.26 107.03 1o2e n ASN 80 Ca -0.03 0.23 -0.33 0.00 1.68 0.00 0.00 54.58 56.13 1o2e n ASN 80 Cb 0.56 -4.80 -0.13 0.00 -1.54 0.00 0.00 39.78 33.87 1o2e n ASN 80 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1o2e s GLU 81 N -4.41 3.11 -0.05 3.52 2.12 0.12 -4.58 118.70 118.53 1o2e s GLU 81 Ca 0.00 -0.66 -0.13 0.00 0.36 0.00 0.00 54.97 54.54 1o2e s GLU 81 Cb 0.00 -2.58 -0.05 0.00 0.26 0.00 0.00 34.13 31.75 1o2e s GLU 81 CO 0.00 0.37 0.33 0.42 -0.54 0.00 0.00 175.26 175.85 1o2e s ILE 82 N -0.06 5.18 -0.10 -3.70 1.01 -1.26 -1.34 121.20 120.92 1o2e s ILE 82 Ca -0.02 0.66 -0.02 0.00 0.00 0.00 0.00 60.65 61.27 1o2e s ILE 82 Cb -0.14 -3.63 0.04 0.00 0.01 0.00 0.00 42.46 38.74 1o2e s ILE 82 CO 0.04 0.57 0.03 -0.89 0.00 0.00 0.00 174.94 174.69 1o2e s THR 83 N -0.89 0.23 -0.04 2.92 2.01 -0.57 -4.98 115.64 114.31 1o2e s THR 83 Ca 0.21 0.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.93 1o2e s THR 83 Cb -0.15 -0.55 -0.03 0.00 0.01 0.00 0.00 72.50 71.78 1o2e s THR 83 CO 0.10 0.07 1.03 0.00 -0.69 0.00 0.00 174.62 175.13 1o2e s SER 85 N 1.09 5.91 0.00 0.00 0.15 -0.89 -4.93 113.70 115.03 1o2e s SER 85 Ca 0.52 2.18 0.30 0.00 0.70 0.00 0.00 55.95 59.64 1o2e s SER 85 Cb -0.21 -2.58 1.52 0.00 -1.71 0.00 0.00 66.02 63.04 1o2e s SER 85 CO 0.24 -1.09 2.05 -1.54 1.20 0.00 0.00 173.24 174.10 1o2e n SER 86 N -1.05 0.00 0.01 5.45 3.41 -1.26 -2.89 113.62 117.28 1o2e n SER 86 Ca 0.10 -0.18 0.14 0.00 -0.26 0.00 0.00 58.87 58.67 1o2e n SER 86 Cb 0.50 -0.27 0.60 0.00 -0.26 0.00 0.00 64.21 64.78 1o2e n SER 86 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1o2e n GLU 87 N -1.27 0.02 -2.59 4.33 4.07 -1.26 -4.81 120.64 119.13 1o2e n GLU 87 Ca 0.15 0.02 -0.38 0.00 -0.06 0.00 0.00 57.16 56.88 1o2e n GLU 87 Cb 0.23 -1.52 -0.05 0.00 -0.06 0.00 0.00 31.44 30.04 1o2e n GLU 87 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 1o2e s ASN 88 N -3.11 7.16 0.68 4.31 0.02 -1.14 -5.02 114.94 117.84 1o2e s ASN 88 Ca 0.14 2.08 -0.06 0.00 -1.02 0.00 0.00 52.86 53.99 1o2e s ASN 88 Cb 0.18 -2.60 0.05 0.00 0.02 0.00 0.00 41.25 38.90 1o2e s ASN 88 CO 0.53 -0.20 0.99 0.20 0.02 0.00 0.00 177.10 178.63 1o2e s ASN 89 N -1.27 4.98 0.16 -1.22 0.02 -1.26 -4.67 114.94 111.68 1o2e s ASN 89 Ca 0.49 0.49 -0.22 0.00 -1.02 0.00 0.00 52.86 52.61 1o2e s ASN 89 Cb -0.26 -1.22 0.05 0.00 0.02 0.00 0.00 41.25 39.85 1o2e s ASN 89 CO 0.32 -1.48 1.32 0.00 0.02 0.00 0.00 177.10 177.28 1o2e n ALA 90 N -2.84 -0.37 0.43 0.60 0.00 -1.26 -0.44 120.51 116.63 1o2e n ALA 90 Ca 0.07 0.78 -0.19 0.00 0.00 0.00 0.00 53.44 54.10 1o2e n ALA 90 Cb 0.60 -0.22 -0.09 0.00 0.00 0.00 0.00 19.45 19.73 1o2e n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1o2e h GLU 92 N -1.12 0.42 -0.26 0.00 3.07 -1.78 -1.18 114.58 113.73 1o2e h GLU 92 Ca -0.11 -0.03 0.02 0.00 -0.50 0.00 0.00 59.36 58.75 1o2e h GLU 92 Cb 0.83 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.62 1o2e h GLU 92 CO 0.18 0.28 0.10 0.00 -1.40 0.00 0.00 179.01 178.17 1o2e h ALA 93 N 1.49 0.30 -0.54 3.43 0.00 -0.68 0.46 119.26 123.72 1o2e h ALA 93 Ca 0.36 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.32 1o2e h ALA 93 Cb 0.50 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 1o2e h ALA 93 CO -0.36 -0.30 0.31 0.35 0.00 0.00 0.00 179.25 179.25 1o2e h PHE 94 N 0.23 0.58 -0.45 0.00 3.04 -0.34 -0.47 116.94 119.53 1o2e h PHE 94 Ca 0.11 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.04 1o2e h PHE 94 Cb 0.06 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 38.37 1o2e h PHE 94 CO -0.11 0.32 0.13 0.82 -2.02 0.00 0.00 178.31 177.44 1o2e h ILE 95 N 0.61 1.23 -0.93 1.41 2.04 -0.73 -2.00 117.51 119.15 1o2e h ILE 95 Ca 0.22 -0.77 0.10 0.00 1.00 0.00 0.00 64.86 65.42 1o2e h ILE 95 Cb 0.05 0.87 -0.07 0.00 -0.74 0.00 0.00 36.82 36.94 1o2e h ILE 95 CO -0.11 0.28 0.60 0.00 0.00 0.00 0.00 178.15 178.91 1o2e h ASN 97 N 0.92 0.75 -0.40 0.00 -1.24 -0.81 -0.90 115.58 113.89 1o2e h ASN 97 Ca 0.44 -0.32 0.01 0.00 0.71 0.00 0.00 56.30 57.14 1o2e h ASN 97 Cb 0.43 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.25 1o2e h ASN 97 CO -0.20 1.04 0.25 0.00 -1.29 0.00 0.00 177.43 177.23 1o2e h ASP 99 N 0.51 0.36 0.10 0.00 3.32 -1.08 -2.84 116.42 116.78 1o2e h ASP 99 Ca 0.15 -0.17 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1o2e h ASP 99 Cb -0.02 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1o2e h ASP 99 CO -0.06 0.79 -0.05 -0.09 -1.72 0.00 0.00 179.24 178.12 1o2e h ARG 100 N 0.26 -0.13 -0.14 3.56 2.43 -0.78 -1.57 114.38 118.01 1o2e h ARG 100 Ca 0.01 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1o2e h ARG 100 Cb 0.96 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 1o2e h ARG 100 CO 0.08 0.12 0.05 -0.91 -1.51 0.00 0.00 179.97 177.80 1o2e h ASN 101 N -0.37 0.17 -0.08 -3.80 2.35 -1.33 -2.33 115.58 110.20 1o2e h ASN 101 Ca -0.01 -0.01 -0.23 0.00 -0.55 0.00 0.00 56.30 55.50 1o2e h ASN 101 Cb 0.31 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 38.65 1o2e h ASN 101 CO 0.02 0.17 -0.83 0.00 -1.65 0.00 0.00 177.43 175.14 1o2e h ALA 102 N 1.86 0.30 0.12 -0.83 0.00 -1.37 -2.13 119.26 117.20 1o2e h ALA 102 Ca 0.05 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 1o2e h ALA 102 Cb 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1o2e h ALA 102 CO -0.00 0.69 -0.06 0.00 0.00 0.00 0.00 179.25 179.88 1o2e h ALA 103 N 0.56 -0.16 -0.92 0.00 0.00 -0.80 0.75 119.26 118.69 1o2e h ALA 103 Ca -0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1o2e h ALA 103 Cb 1.46 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.27 1o2e h ALA 103 CO 0.17 -0.58 0.59 0.82 0.00 0.00 0.00 179.25 180.25 1o2e h ILE 104 N -0.19 1.24 0.23 0.00 2.04 -1.49 -1.96 117.51 117.38 1o2e h ILE 104 Ca -0.02 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 1o2e h ILE 104 Cb 0.15 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.14 1o2e h ILE 104 CO 0.03 0.24 -0.12 0.00 0.00 0.00 0.00 178.15 178.29 1o2e h PHE 106 N -0.33 0.20 0.00 0.00 -1.00 -0.33 -0.32 116.94 115.16 1o2e h PHE 106 Ca -0.03 0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.80 1o2e h PHE 106 Cb 0.26 0.04 0.00 0.00 3.61 0.00 0.00 35.95 39.86 1o2e h PHE 106 CO -0.07 -0.17 0.00 -1.13 -1.61 0.00 0.00 178.31 175.33 1o2e n SER 107 N -5.23 0.00 -0.23 2.17 3.41 -0.78 -3.56 113.62 109.40 1o2e n SER 107 Ca 0.16 -0.71 0.03 0.00 -0.26 0.00 0.00 58.87 58.10 1o2e n SER 107 Cb 0.53 -0.06 0.02 0.00 -0.26 0.00 0.00 64.21 64.43 1o2e n SER 107 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1o2e n LYS 108 N -1.06 1.03 -4.48 4.33 4.76 -0.14 -5.04 118.16 117.57 1o2e n LYS 108 Ca 0.19 -0.74 -0.24 0.00 -2.87 0.00 0.00 58.31 54.65 1o2e n LYS 108 Cb 0.12 -1.07 -0.10 0.00 -1.84 0.00 0.00 35.03 32.14 1o2e n LYS 108 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1o2e s VAL 109 N -0.81 2.40 0.83 -0.18 -7.23 -1.16 -5.10 120.40 109.15 1o2e s VAL 109 Ca 0.07 -2.37 -0.11 0.00 -1.81 0.00 0.00 61.98 57.77 1o2e s VAL 109 Cb 0.06 -2.35 0.10 0.00 0.56 0.00 0.00 36.38 34.75 1o2e s VAL 109 CO 0.13 -0.38 1.13 -2.84 -0.31 0.00 0.00 175.10 172.83 1o2e s PRO 110 N -3.53 1.66 -0.14 4.82 0.02 -1.26 -4.97 135.00 131.60 1o2e s PRO 110 Ca 0.30 1.42 0.02 0.00 0.02 0.00 0.00 61.00 62.76 1o2e s PRO 110 Cb -0.04 -1.81 0.01 0.00 0.02 0.00 0.00 34.50 32.69 1o2e s PRO 110 CO 0.15 -2.13 -0.20 -0.47 -0.33 0.00 0.00 177.00 174.03 1o2e s TYR 111 N -2.67 2.49 -0.37 6.54 5.04 -1.26 -4.55 117.35 122.57 1o2e s TYR 111 Ca 0.65 -1.30 0.01 0.00 -2.44 0.00 0.00 57.07 54.00 1o2e s TYR 111 Cb -0.21 -1.73 0.10 0.00 0.35 0.00 0.00 41.96 40.47 1o2e s TYR 111 CO 0.55 -0.62 0.12 -0.80 -1.34 0.00 0.00 175.55 173.46 1o2e s ASN 112 N 0.99 4.97 0.45 4.32 0.01 -1.26 -4.98 114.94 119.45 1o2e s ASN 112 Ca -0.04 -2.12 0.24 0.00 -0.71 0.00 0.00 52.86 50.23 1o2e s ASN 112 Cb -0.15 -1.71 1.25 0.00 0.41 0.00 0.00 41.25 41.05 1o2e s ASN 112 CO -0.04 -0.45 1.81 0.11 -1.51 0.00 0.00 177.10 177.02 1o2e h LYS 113 N 7.78 0.25 -0.95 -0.60 6.56 -1.99 0.05 116.57 127.67 1o2e h LYS 113 Ca -0.08 -0.01 0.24 0.00 -1.06 0.00 0.00 60.65 59.74 1o2e h LYS 113 Cb 1.03 -0.06 -0.06 0.00 -0.57 0.00 0.00 32.23 32.57 1o2e h LYS 113 CO 0.60 0.16 0.64 0.93 -2.06 0.00 0.00 179.45 179.73 1o2e h GLU 114 N 0.26 0.24 0.00 3.15 3.07 -2.04 0.13 114.58 119.39 1o2e h GLU 114 Ca 0.54 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.39 1o2e h GLU 114 Cb 1.64 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.49 1o2e h GLU 114 CO -0.17 0.16 0.00 0.72 -1.40 0.00 0.00 179.01 178.31 1o2e n HIS 115 N -4.43 0.17 -1.71 4.33 8.25 0.00 -4.81 115.22 117.02 1o2e n HIS 115 Ca 0.21 0.05 -0.43 0.00 -0.26 0.00 0.00 57.72 57.29 1o2e n HIS 115 Cb 0.86 -0.59 -0.02 0.00 1.12 0.00 0.00 29.99 31.37 1o2e n HIS 115 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1o2e n LYS 116 N -1.64 2.38 -3.78 -0.41 4.76 0.46 -2.20 118.16 117.72 1o2e n LYS 116 Ca 0.06 0.84 -0.23 0.00 -2.87 0.00 0.00 58.31 56.11 1o2e n LYS 116 Cb 0.33 -2.55 0.02 0.00 -1.84 0.00 0.00 35.03 30.99 1o2e n LYS 116 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1o2e n ASN 117 N 1.81 -1.15 -4.76 4.39 5.03 0.10 -4.89 115.26 115.79 1o2e n ASN 117 Ca 0.08 -0.89 -0.41 0.00 0.87 0.00 0.00 54.58 54.23 1o2e n ASN 117 Cb 0.35 -3.70 -0.02 0.00 -1.02 0.00 0.00 39.78 35.39 1o2e n ASN 117 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1o2e s LEU 118 N -6.74 4.43 -0.25 3.41 1.98 -0.94 -4.91 118.68 115.65 1o2e s LEU 118 Ca 0.03 2.63 -0.28 0.00 -2.89 0.00 0.00 54.13 53.62 1o2e s LEU 118 Cb -0.01 -3.64 -0.04 0.00 0.66 0.00 0.00 46.19 43.16 1o2e s LEU 118 CO 0.84 -0.54 2.11 -1.81 -1.89 0.00 0.00 176.35 175.06 1o2e s ASP 119 N -0.25 5.55 0.00 3.68 1.01 -1.26 -4.79 116.67 120.61 1o2e s ASP 119 Ca 0.51 1.73 0.00 0.00 0.71 0.00 0.00 52.55 55.50 1o2e s ASP 119 Cb -0.39 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.02 1o2e s ASP 119 CO 0.49 -1.91 0.02 0.23 0.21 0.00 0.00 175.17 174.20 1o2e n MET 120 N 8.68 0.00 -0.09 8.23 2.81 -1.26 -0.67 117.12 134.82 1o2e n MET 120 Ca 0.28 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.29 1o2e n MET 120 Cb 0.46 -1.02 0.31 0.00 -0.71 0.00 0.00 33.22 32.26 1o2e n MET 120 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1o2e n LYS 121 N -0.41 2.03 -0.22 0.03 3.00 -1.26 -3.44 118.16 117.88 1o2e n LYS 121 Ca 0.00 -1.54 0.09 0.00 -0.00 0.00 0.00 58.31 56.87 1o2e n LYS 121 Cb 0.00 -1.45 0.21 0.00 0.00 0.00 0.00 35.03 33.79 1o2e n LYS 121 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1o2e n ASN 122 N 0.78 3.31 0.00 3.14 5.03 0.15 -5.24 115.26 122.43 1o2e n ASN 122 Ca 0.17 -1.95 0.00 0.00 0.87 0.00 0.00 54.58 53.68 1o2e n ASN 122 Cb 0.45 -0.29 0.00 0.00 -1.02 0.00 0.00 39.78 38.91 1o2e n ASN 122 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43