#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2mee s VAL 2 N 0.00 4.06 0.55 3.15 1.01 -1.26 -0.93 120.40 126.99 2mee s VAL 2 Ca 0.00 -1.25 -0.18 0.00 0.00 0.00 0.00 61.98 60.55 2mee s VAL 2 Cb 0.00 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 2mee s VAL 2 CO 0.00 -0.35 1.09 -0.36 0.00 0.00 0.00 175.10 175.48 2mee s PHE 3 N 1.42 2.81 0.31 5.22 0.40 -0.23 -5.01 117.98 122.91 2mee s PHE 3 Ca 0.01 1.55 -0.08 0.00 -0.60 0.00 0.00 56.93 57.81 2mee s PHE 3 Cb -0.21 -3.16 -0.06 0.00 0.51 0.00 0.00 43.02 40.10 2mee s PHE 3 CO 0.03 -1.30 0.62 -1.21 0.70 0.00 0.00 175.22 174.06 2mee s GLU 4 N -3.54 3.72 0.04 0.44 2.02 -1.26 -4.86 118.70 115.26 2mee s GLU 4 Ca 0.69 0.21 -0.11 0.00 0.02 0.00 0.00 54.97 55.78 2mee s GLU 4 Cb -0.20 -2.57 -0.04 0.00 0.10 0.00 0.00 34.13 31.43 2mee s GLU 4 CO 0.29 0.16 1.18 -0.09 0.02 0.00 0.00 175.26 176.83 2mee h ARG 5 N 1.76 -0.15 0.00 1.61 2.43 -1.96 -1.30 114.38 116.77 2mee h ARG 5 Ca -0.47 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 58.67 2mee h ARG 5 Cb 1.18 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 2mee h ARG 5 CO 0.66 -0.10 -0.18 0.00 -1.51 0.00 0.00 179.97 178.84 2mee h GLU 7 N 0.00 0.25 -0.57 0.00 4.81 -1.85 -1.68 114.58 115.53 2mee h GLU 7 Ca -0.00 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 2mee h GLU 7 Cb 0.35 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 2mee h GLU 7 CO 0.02 0.25 0.13 1.25 -0.73 0.00 0.00 179.01 179.93 2mee h LEU 8 N 0.18 0.88 -0.62 1.64 5.85 -0.67 -2.37 115.31 120.21 2mee h LEU 8 Ca 0.06 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.59 2mee h LEU 8 Cb 0.07 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 2mee h LEU 8 CO -0.01 0.89 0.33 0.00 -0.34 0.00 0.00 178.44 179.32 2mee h ALA 9 N 1.02 0.81 -0.37 1.25 0.00 -0.88 -0.40 119.26 120.70 2mee h ALA 9 Ca 0.18 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 2mee h ALA 9 Cb 0.37 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2mee h ALA 9 CO 0.00 0.01 -0.24 0.00 0.00 0.00 0.00 179.25 179.02 2mee h ARG 10 N 0.63 0.74 -0.15 0.00 3.08 -1.20 -2.45 114.38 115.02 2mee h ARG 10 Ca 0.27 -0.31 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2mee h ARG 10 Cb 0.16 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2mee h ARG 10 CO -0.17 0.91 0.05 1.15 -1.07 0.00 0.00 179.97 180.84 2mee h THR 11 N 0.65 1.17 -0.83 2.04 2.02 -0.82 -1.89 112.91 115.24 2mee h THR 11 Ca 0.09 -0.53 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 2mee h THR 11 Cb 0.75 1.24 -0.04 0.00 -1.74 0.00 0.00 68.15 68.36 2mee h THR 11 CO 0.06 0.16 0.50 -0.07 0.37 0.00 0.00 175.52 176.54 2mee h LEU 12 N 0.08 0.99 -0.55 2.58 3.38 -1.04 -1.49 115.31 119.26 2mee h LEU 12 Ca 0.05 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2mee h LEU 12 Cb 0.21 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2mee h LEU 12 CO -0.00 0.76 0.10 0.50 0.09 0.00 0.00 178.44 179.89 2mee h LYS 13 N 1.14 0.90 0.00 1.13 3.64 -1.21 -2.07 116.57 120.10 2mee h LYS 13 Ca 0.30 -0.24 -0.06 0.00 -1.27 0.00 0.00 60.65 59.38 2mee h LYS 13 Cb -0.05 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 2mee h LYS 13 CO -0.06 0.87 -0.28 -0.09 -2.27 0.00 0.00 179.45 177.62 2mee h ARG 14 N 0.79 0.00 -0.15 1.90 2.43 -0.87 -1.98 114.38 116.51 2mee h ARG 14 Ca 0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2mee h ARG 14 Cb 0.40 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2mee h ARG 14 CO 0.01 0.28 0.00 1.28 -1.51 0.00 0.00 179.97 180.03 2mee n LEU 15 N -3.81 1.04 -0.94 3.80 4.77 -0.60 -4.93 117.00 116.34 2mee n LEU 15 Ca -0.01 -0.48 -0.07 0.00 -0.03 0.00 0.00 56.01 55.42 2mee n LEU 15 Cb 0.37 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2mee n LEU 15 CO 0.35 0.24 -0.05 0.61 -1.33 0.00 0.00 177.39 177.21 2mee n GLY 16 N 0.92 0.16 0.14 -0.72 0.00 -0.74 -4.97 105.19 99.98 2mee n GLY 16 Ca 0.11 -0.55 0.12 0.00 0.00 0.00 0.00 46.02 45.70 2mee n GLY 16 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2mee h MET 17 N -0.18 0.00 -6.20 1.61 2.86 -1.58 -3.41 114.93 108.03 2mee h MET 17 Ca -0.17 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 56.89 2mee h MET 17 Cb 1.12 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.76 2mee h MET 17 CO 0.19 0.00 1.33 0.34 1.06 0.00 0.00 176.91 179.83 2mee s ASP 18 N -5.53 5.80 0.00 1.22 2.15 -1.26 -1.80 116.67 117.24 2mee s ASP 18 Ca 0.01 1.47 0.00 0.00 0.43 0.00 0.00 52.55 54.47 2mee s ASP 18 Cb 0.09 -2.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 2mee s ASP 18 CO 0.76 -1.76 0.00 0.61 -0.17 0.00 0.00 175.17 174.62 2mee n GLY 19 N 5.49 0.63 3.67 2.66 0.00 0.23 -4.90 105.19 112.98 2mee n GLY 19 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 2mee n GLY 19 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2mee s TYR 20 N -2.30 1.82 -1.45 1.61 5.04 -0.75 -1.52 117.35 119.79 2mee s TYR 20 Ca 0.00 -0.11 -0.12 0.00 -2.44 0.00 0.00 57.07 54.40 2mee s TYR 20 Cb 0.00 -4.13 0.08 0.00 0.35 0.00 0.00 41.96 38.26 2mee s TYR 20 CO 0.00 -4.83 0.72 0.54 -1.34 0.00 0.00 175.55 170.64 2mee n ARG 21 N 6.63 -4.29 -1.01 4.97 5.12 -1.26 -1.24 116.66 125.58 2mee n ARG 21 Ca 0.18 0.55 -0.00 0.00 -1.93 0.00 0.00 57.85 56.65 2mee n ARG 21 Cb 0.40 -5.35 -0.00 0.00 -1.16 0.00 0.00 32.46 26.36 2mee n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2mee n GLY 22 N -1.42 0.44 3.45 -0.13 0.00 -0.58 -5.00 105.19 101.95 2mee n GLY 22 Ca 0.01 -0.07 -0.39 0.00 0.00 0.00 0.00 46.02 45.57 2mee n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2mee s ILE 23 N -1.86 4.72 0.72 -0.61 1.01 -0.38 -4.91 121.20 119.89 2mee s ILE 23 Ca 0.00 -0.40 -0.15 0.00 0.00 0.00 0.00 60.65 60.10 2mee s ILE 23 Cb 0.00 -3.42 0.03 0.00 0.01 0.00 0.00 42.46 39.08 2mee s ILE 23 CO 0.00 0.04 1.18 -0.94 0.00 0.00 0.00 174.94 175.22 2mee s SER 24 N 1.63 4.41 0.24 3.58 1.04 -1.26 -0.60 113.70 122.73 2mee s SER 24 Ca 0.05 2.26 -0.06 0.00 0.48 0.00 0.00 55.95 58.68 2mee s SER 24 Cb -0.17 -2.58 0.34 0.00 0.10 0.00 0.00 66.02 63.71 2mee s SER 24 CO 0.07 -2.11 1.82 0.25 0.98 0.00 0.00 173.24 174.25 2mee h LEU 25 N -0.24 0.70 -1.94 2.42 5.85 -1.91 -1.39 115.31 118.80 2mee h LEU 25 Ca -0.47 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.32 2mee h LEU 25 Cb 1.28 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.20 2mee h LEU 25 CO 0.51 0.43 0.13 0.00 -0.34 0.00 0.00 178.44 179.16 2mee h ALA 26 N 1.42 2.07 -0.25 1.25 0.00 -1.92 -0.67 119.26 121.16 2mee h ALA 26 Ca 0.37 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.08 2mee h ALA 26 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2mee h ALA 26 CO -0.21 -0.11 -0.59 -0.91 0.00 0.00 0.00 179.25 177.43 2mee h ASN 27 N 0.08 0.92 -0.58 0.00 2.35 -1.59 -1.04 115.58 115.73 2mee h ASN 27 Ca 0.08 -0.51 -0.09 0.00 -0.55 0.00 0.00 56.30 55.23 2mee h ASN 27 Cb 0.23 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 2mee h ASN 27 CO -0.01 1.30 0.01 -0.50 -1.65 0.00 0.00 177.43 176.59 2mee h TRP 28 N 0.62 1.11 -0.36 1.19 4.06 -1.01 -1.48 115.95 120.07 2mee h TRP 28 Ca 0.00 -0.18 -0.03 0.00 2.06 0.00 0.00 58.89 60.74 2mee h TRP 28 Cb 1.19 -0.29 -0.02 0.00 -1.00 0.00 0.00 29.16 29.04 2mee h TRP 28 CO 0.07 0.98 0.11 0.52 -3.56 0.00 0.00 178.44 176.56 2mee h MET 29 N 0.95 0.57 -0.79 0.49 2.86 -1.08 -1.14 114.93 116.78 2mee h MET 29 Ca 0.17 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2mee h MET 29 Cb 0.53 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.07 2mee h MET 29 CO 0.03 0.59 0.50 0.00 1.06 0.00 0.00 176.91 179.08 2mee h LEU 31 N 1.08 -0.18 -1.08 0.00 5.85 -0.94 -2.55 115.31 117.49 2mee h LEU 31 Ca 0.29 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.94 2mee h LEU 31 Cb -0.08 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 40.94 2mee h LEU 31 CO -0.06 -0.03 0.62 0.00 -0.34 0.00 0.00 178.44 178.64 2mee h ALA 32 N 0.51 1.35 0.23 1.25 0.00 -1.06 -0.82 119.26 120.73 2mee h ALA 32 Ca -0.02 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2mee h ALA 32 Cb 0.25 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2mee h ALA 32 CO 0.04 0.58 -0.16 -0.22 0.00 0.00 0.00 179.25 179.49 2mee h LYS 33 N 1.24 -0.37 0.00 0.00 1.63 -1.14 -1.80 116.57 116.13 2mee h LYS 33 Ca 0.36 0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 60.11 2mee h LYS 33 Cb -0.09 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 2mee h LYS 33 CO -0.09 -0.25 -0.34 -1.49 -3.45 0.00 0.00 179.45 173.83 2mee h TRP 34 N -0.39 0.00 0.05 1.91 4.06 -1.30 -0.70 115.95 119.58 2mee h TRP 34 Ca -0.02 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.84 2mee h TRP 34 Cb 0.33 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.50 2mee h TRP 34 CO -0.10 0.34 -0.37 0.93 -3.56 0.00 0.00 178.44 175.68 2mee h GLU 35 N 0.00 0.17 0.00 0.49 4.39 -1.08 -3.43 114.58 115.12 2mee h GLU 35 Ca -0.00 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.45 2mee h GLU 35 Cb 1.09 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 2mee h GLU 35 CO 0.04 1.07 0.00 -1.13 -1.16 0.00 0.00 179.01 177.83 2mee n SER 36 N -4.40 0.16 -1.10 1.42 3.41 -0.71 -4.87 113.62 107.53 2mee n SER 36 Ca -0.11 -0.60 -0.09 0.00 -0.26 0.00 0.00 58.87 57.81 2mee n SER 36 Cb 0.61 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 2mee n SER 36 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2mee n GLY 37 N 0.14 0.07 2.35 5.00 0.00 -0.27 -2.72 105.19 109.77 2mee n GLY 37 Ca 0.00 -0.49 -0.17 0.00 0.00 0.00 0.00 46.02 45.36 2mee n GLY 37 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2mee n TYR 38 N -3.93 -0.85 -3.73 1.61 4.01 -1.15 -4.76 117.16 108.35 2mee n TYR 38 Ca -0.08 0.03 -0.38 0.00 -0.16 0.00 0.00 57.90 57.31 2mee n TYR 38 Cb 0.57 -3.42 -0.12 0.00 -0.31 0.00 0.00 39.34 36.05 2mee n TYR 38 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2mee s ASN 39 N -2.28 5.26 0.51 7.72 2.47 -1.10 -1.06 114.94 126.46 2mee s ASN 39 Ca 0.02 -0.66 0.29 0.00 0.42 0.00 0.00 52.86 52.93 2mee s ASN 39 Cb -0.01 -1.92 1.24 0.00 -1.45 0.00 0.00 41.25 39.11 2mee s ASN 39 CO 0.02 -0.20 1.95 0.71 -3.72 0.00 0.00 177.10 175.86 2mee h THR 40 N 5.80 0.30 -0.24 -5.21 1.35 -1.36 -3.05 112.91 110.51 2mee h THR 40 Ca -0.31 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 2mee h THR 40 Cb 1.13 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 2mee h THR 40 CO 0.61 0.11 0.00 -2.11 -0.25 0.00 0.00 175.52 173.87 2mee n ARG 41 N -3.29 2.16 -1.77 4.72 1.85 -1.26 -4.10 116.66 114.98 2mee n ARG 41 Ca -0.00 -1.74 -0.42 0.00 -1.00 0.00 0.00 57.85 54.69 2mee n ARG 41 Cb 0.34 -1.46 -0.02 0.00 -1.05 0.00 0.00 32.46 30.26 2mee n ARG 41 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2mee s ALA 42 N -1.70 3.79 0.00 2.89 0.00 -1.15 -4.79 121.76 120.79 2mee s ALA 42 Ca 0.35 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.89 2mee s ALA 42 Cb 0.20 -3.66 -0.00 0.00 0.00 0.00 0.00 23.12 19.66 2mee s ALA 42 CO 0.30 -0.97 -0.01 0.95 0.00 0.00 0.00 175.76 176.02 2mee s THR 43 N 0.26 0.08 -0.11 0.00 -4.23 -1.26 -0.84 115.64 109.53 2mee s THR 43 Ca 0.66 -0.19 -0.02 0.00 -1.18 0.00 0.00 61.69 60.95 2mee s THR 43 Cb -0.48 -0.10 0.04 0.00 1.34 0.00 0.00 72.50 73.30 2mee s THR 43 CO 0.44 -0.07 0.04 0.21 -0.54 0.00 0.00 174.62 174.70 2mee s ASN 44 N -0.28 1.93 -0.02 3.99 2.47 -0.59 -4.97 114.94 117.46 2mee s ASN 44 Ca -0.02 -0.31 -0.23 0.00 0.42 0.00 0.00 52.86 52.72 2mee s ASN 44 Cb -0.02 -0.38 -0.05 0.00 -1.45 0.00 0.00 41.25 39.35 2mee s ASN 44 CO -0.00 -0.26 0.67 -0.47 -3.72 0.00 0.00 177.10 173.32 2mee s TYR 45 N 2.02 3.65 -0.66 0.43 5.04 -1.26 -0.54 117.35 126.02 2mee s TYR 45 Ca 0.03 1.27 -0.11 0.00 -2.44 0.00 0.00 57.07 55.81 2mee s TYR 45 Cb -0.14 -2.73 0.17 0.00 0.35 0.00 0.00 41.96 39.61 2mee s TYR 45 CO -0.06 0.22 0.57 -0.80 -1.34 0.00 0.00 175.55 174.14 2mee s ASN 46 N 0.27 6.15 0.46 4.32 0.01 0.29 -4.93 114.94 121.51 2mee s ASN 46 Ca 0.35 -2.37 0.14 0.00 -0.71 0.00 0.00 52.86 50.28 2mee s ASN 46 Cb -0.18 -2.11 1.09 0.00 0.41 0.00 0.00 41.25 40.46 2mee s ASN 46 CO 0.19 -0.62 2.02 0.00 -1.51 0.00 0.00 177.10 177.18 2mee h ALA 47 N 8.02 2.02 -0.19 0.60 0.00 -1.96 -0.98 119.26 126.78 2mee h ALA 47 Ca -0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2mee h ALA 47 Cb 1.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2mee h ALA 47 CO 0.83 -0.12 0.09 0.78 0.00 0.00 0.00 179.25 180.83 2mee h GLY 48 N 0.32 0.28 0.00 0.00 0.00 -1.95 -3.30 103.07 98.41 2mee h GLY 48 Ca 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2mee h GLY 48 CO -0.05 0.11 0.00 2.09 0.00 0.00 0.00 176.54 178.69 2mee n ASP 49 N -4.47 0.77 -1.37 0.19 5.68 -1.02 -5.03 116.55 111.30 2mee n ASP 49 Ca -0.00 -1.27 -0.13 0.00 -0.50 0.00 0.00 54.79 52.89 2mee n ASP 49 Cb 0.11 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.07 2mee n ASP 49 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2mee n ARG 50 N -0.13 -1.02 -4.15 0.11 1.74 -0.40 -4.84 116.66 107.96 2mee n ARG 50 Ca 0.00 0.75 -0.23 0.00 -0.77 0.00 0.00 57.85 57.60 2mee n ARG 50 Cb 0.25 -4.94 -0.07 0.00 -1.02 0.00 0.00 32.46 26.69 2mee n ARG 50 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2mee s SER 51 N -2.54 4.61 0.01 0.55 1.04 -1.21 -4.46 113.70 111.70 2mee s SER 51 Ca 0.00 -0.78 0.03 0.00 0.48 0.00 0.00 55.95 55.68 2mee s SER 51 Cb 0.00 -0.73 -0.01 0.00 0.10 0.00 0.00 66.02 65.38 2mee s SER 51 CO 0.00 -0.25 -0.10 -0.89 0.98 0.00 0.00 173.24 172.98 2mee s THR 52 N -2.42 0.76 -0.17 2.02 2.01 -1.26 -0.54 115.64 116.04 2mee s THR 52 Ca 0.37 -0.60 -0.11 0.00 0.31 0.00 0.00 61.69 61.65 2mee s THR 52 Cb -0.03 -0.67 -0.05 0.00 0.01 0.00 0.00 72.50 71.76 2mee s THR 52 CO 0.22 0.08 0.21 -1.81 -0.69 0.00 0.00 174.62 172.63 2mee s ASP 53 N -0.58 6.34 -0.06 3.53 1.01 0.30 -1.13 116.67 126.07 2mee s ASP 53 Ca 0.01 0.40 0.05 0.00 0.71 0.00 0.00 52.55 53.72 2mee s ASP 53 Cb -0.05 -2.13 -0.01 0.00 1.01 0.00 0.00 42.92 41.74 2mee s ASP 53 CO 0.00 0.18 -0.23 -0.31 0.21 0.00 0.00 175.17 175.02 2mee s TYR 54 N 0.19 2.26 0.00 4.23 1.51 0.25 -1.55 117.35 124.25 2mee s TYR 54 Ca 0.13 -0.72 0.00 0.00 -1.01 0.00 0.00 57.07 55.47 2mee s TYR 54 Cb -0.12 -1.50 0.00 0.00 -0.11 0.00 0.00 41.96 40.23 2mee s TYR 54 CO 0.02 -0.24 0.00 0.41 -1.11 0.00 0.00 175.55 174.62 2mee n GLY 55 N 3.12 -1.95 0.28 0.71 0.00 -0.02 -1.57 105.19 105.76 2mee n GLY 55 Ca -0.18 -1.43 0.06 0.00 0.00 0.00 0.00 46.02 44.47 2mee n GLY 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2mee h ILE 56 N 0.00 1.05 -0.20 -0.61 2.10 -1.70 -1.64 117.51 116.51 2mee h ILE 56 Ca 0.00 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.82 2mee h ILE 56 Cb 0.00 0.81 0.00 0.00 -1.09 0.00 0.00 36.82 36.54 2mee h ILE 56 CO 0.00 0.05 0.00 0.49 -1.08 0.00 0.00 178.15 177.61 2mee n PHE 57 N -4.50 0.25 -3.71 2.19 3.72 -1.26 -3.99 117.46 110.16 2mee n PHE 57 Ca -0.00 -0.15 -0.29 0.00 -0.05 0.00 0.00 57.45 56.95 2mee n PHE 57 Cb 0.09 -0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.66 2mee n PHE 57 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2mee n GLN 58 N 1.13 -1.97 -2.52 -1.08 1.13 -0.62 -4.91 117.38 108.54 2mee n GLN 58 Ca 0.14 0.48 -0.42 0.00 -1.94 0.00 0.00 57.00 55.26 2mee n GLN 58 Cb 0.50 -4.37 -0.03 0.00 0.11 0.00 0.00 30.24 26.45 2mee n GLN 58 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2mee s LEU 59 N -6.52 4.34 0.10 1.08 1.43 -0.61 -4.39 118.68 114.12 2mee s LEU 59 Ca 0.35 1.84 -0.30 0.00 -1.03 0.00 0.00 54.13 55.00 2mee s LEU 59 Cb -0.12 -3.57 -0.06 0.00 0.03 0.00 0.00 46.19 42.47 2mee s LEU 59 CO 0.85 -0.44 1.04 0.21 0.23 0.00 0.00 176.35 178.25 2mee s ASN 60 N 1.14 7.35 0.05 2.29 3.84 -1.26 -0.58 114.94 127.77 2mee s ASN 60 Ca 0.56 1.89 0.12 0.00 0.21 0.00 0.00 52.86 55.64 2mee s ASN 60 Cb -0.25 -2.59 0.53 0.00 -0.55 0.00 0.00 41.25 38.39 2mee s ASN 60 CO 0.27 -0.20 1.38 -1.54 -2.79 0.00 0.00 177.10 174.21 2mee n SER 61 N 3.01 0.12 0.10 -4.21 3.41 -0.29 -1.57 113.62 114.20 2mee n SER 61 Ca 0.04 0.54 -0.03 0.00 -0.26 0.00 0.00 58.87 59.16 2mee n SER 61 Cb 0.48 -0.56 0.03 0.00 -0.26 0.00 0.00 64.21 63.90 2mee n SER 61 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2mee h ARG 62 N 0.00 0.00 0.00 4.33 2.43 -1.83 -3.41 114.38 115.90 2mee h ARG 62 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2mee h ARG 62 Cb 0.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2mee h ARG 62 CO 0.00 0.77 -0.84 0.66 -1.51 0.00 0.00 179.97 179.06 2mee n TYR 63 N -3.52 0.00 -0.10 2.20 4.01 -1.09 -0.36 117.16 118.30 2mee n TYR 63 Ca -0.00 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.59 2mee n TYR 63 Cb 0.77 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.66 2mee n TYR 63 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2mee n TRP 64 N -2.05 0.16 -4.12 -0.72 7.02 -0.61 -1.31 117.44 115.81 2mee n TRP 64 Ca 0.00 0.04 -0.08 0.00 -1.02 0.00 0.00 57.50 56.44 2mee n TRP 64 Cb 0.42 -1.02 -0.10 0.00 -2.42 0.00 0.00 31.31 28.18 2mee n TRP 64 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2mee s ASN 66 N -2.97 5.58 0.00 0.00 2.47 -0.37 -4.48 114.94 115.18 2mee s ASN 66 Ca 0.10 -0.00 0.02 0.00 0.42 0.00 0.00 52.86 53.40 2mee s ASN 66 Cb 0.07 -1.98 0.02 0.00 -1.45 0.00 0.00 41.25 37.91 2mee s ASN 66 CO -0.07 0.09 0.70 -0.90 -3.72 0.00 0.00 177.10 173.19 2mee n ASP 67 N 4.13 1.43 0.00 -4.21 5.68 -1.26 -1.42 116.55 120.90 2mee n ASP 67 Ca -0.16 -1.34 0.00 0.00 -0.50 0.00 0.00 54.79 52.79 2mee n ASP 67 Cb 0.52 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 2mee n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2mee n GLY 68 N -0.03 2.09 0.69 6.12 0.00 -1.26 -4.72 105.19 108.08 2mee n GLY 68 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.11 2mee n GLY 68 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2mee n LYS 69 N -1.71 1.57 -3.34 1.61 2.85 -1.26 -4.94 118.16 112.94 2mee n LYS 69 Ca 0.00 -1.64 -0.39 0.00 -1.05 0.00 0.00 58.31 55.23 2mee n LYS 69 Cb 0.00 -1.32 -0.08 0.00 -0.65 0.00 0.00 35.03 32.98 2mee n LYS 69 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2mee s THR 70 N -1.23 5.15 0.47 0.58 2.01 -1.26 -4.97 115.64 116.39 2mee s THR 70 Ca 0.22 0.73 -0.24 0.00 0.31 0.00 0.00 61.69 62.71 2mee s THR 70 Cb 0.14 -3.75 -0.07 0.00 0.01 0.00 0.00 72.50 68.83 2mee s THR 70 CO 0.20 0.18 1.28 -2.84 -0.69 0.00 0.00 174.62 172.76 2mee s PRO 71 N 1.79 3.62 -1.28 4.92 0.02 -1.26 -3.35 135.00 139.46 2mee s PRO 71 Ca 0.19 2.08 -0.03 0.00 0.02 0.00 0.00 61.00 63.25 2mee s PRO 71 Cb -0.15 -2.48 0.02 0.00 0.02 0.00 0.00 34.50 31.91 2mee s PRO 71 CO 0.09 -0.76 0.24 0.41 -0.33 0.00 0.00 177.00 176.65 2mee n GLY 72 N 0.61 -0.50 3.83 0.52 0.00 -1.26 -4.94 105.19 103.45 2mee n GLY 72 Ca 0.07 0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 2mee n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2mee s ALA 73 N -2.84 3.37 0.33 4.61 0.00 -1.21 -4.94 121.76 121.07 2mee s ALA 73 Ca 0.16 0.12 0.10 0.00 0.00 0.00 0.00 51.96 52.33 2mee s ALA 73 Cb -0.08 -2.80 -0.06 0.00 0.00 0.00 0.00 23.12 20.18 2mee s ALA 73 CO 0.20 0.33 -0.06 0.14 0.00 0.00 0.00 175.76 176.37 2mee s VAL 74 N -1.74 2.53 -0.51 0.00 -7.23 0.51 -5.00 120.40 108.96 2mee s VAL 74 Ca 0.48 -2.11 0.07 0.00 -1.81 0.00 0.00 61.98 58.61 2mee s VAL 74 Cb -0.14 -2.68 0.24 0.00 0.56 0.00 0.00 36.38 34.37 2mee s VAL 74 CO 0.19 -0.24 0.61 -3.20 -0.31 0.00 0.00 175.10 172.15 2mee n ASN 75 N -0.85 1.80 -0.16 4.85 5.15 -1.25 -3.80 115.26 121.00 2mee n ASN 75 Ca -0.05 -3.02 0.05 0.00 -0.60 0.00 0.00 54.58 50.97 2mee n ASN 75 Cb 0.62 -0.65 0.35 0.00 -0.53 0.00 0.00 39.78 39.57 2mee n ASN 75 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2mee h ALA 76 N 4.20 1.68 -0.00 5.20 0.00 -1.28 -0.25 119.26 128.81 2mee h ALA 76 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2mee h ALA 76 Cb 0.78 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2mee h ALA 76 CO 0.63 0.23 -0.07 0.00 0.00 0.00 0.00 179.25 180.04 2mee n HIS 78 N -1.01 -1.82 -3.98 0.00 -0.00 -0.10 -4.99 115.22 103.32 2mee n HIS 78 Ca 0.15 0.54 -0.09 0.00 -0.00 0.00 0.00 57.72 58.32 2mee n HIS 78 Cb 0.26 -3.56 -0.11 0.00 -0.00 0.00 0.00 29.99 26.58 2mee n HIS 78 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2mee s LEU 79 N -6.66 2.23 0.37 2.41 1.43 -1.26 -5.08 118.68 112.13 2mee s LEU 79 Ca 0.32 -0.49 -0.24 0.00 -1.03 0.00 0.00 54.13 52.68 2mee s LEU 79 Cb -0.12 0.08 -0.10 0.00 0.03 0.00 0.00 46.19 46.09 2mee s LEU 79 CO 0.87 -0.29 1.00 -0.55 0.23 0.00 0.00 176.35 177.61 2mee s SER 80 N -1.42 7.00 0.64 2.29 0.15 -1.26 -1.24 113.70 119.85 2mee s SER 80 Ca -0.15 1.93 0.41 0.00 0.70 0.00 0.00 55.95 58.83 2mee s SER 80 Cb -0.10 -2.58 2.19 0.00 -1.71 0.00 0.00 66.02 63.82 2mee s SER 80 CO -0.01 -0.32 2.30 0.00 1.20 0.00 0.00 173.24 176.41 2mee h SER 82 N 0.00 0.39 0.20 0.00 0.87 -1.91 -1.15 113.55 111.95 2mee h SER 82 Ca -0.00 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.53 2mee h SER 82 Cb 0.09 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 61.95 2mee h SER 82 CO 0.00 0.30 -0.06 0.00 -0.53 0.00 0.00 176.83 176.54 2mee h ALA 83 N 1.77 1.36 -0.21 6.23 0.00 -1.66 -0.99 119.26 125.77 2mee h ALA 83 Ca 0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2mee h ALA 83 Cb -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2mee h ALA 83 CO -0.02 0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.58 2mee n LEU 84 N -3.67 1.28 -0.29 0.00 4.77 -0.43 -3.48 117.00 115.17 2mee n LEU 84 Ca -0.02 -0.61 0.03 0.00 -0.03 0.00 0.00 56.01 55.38 2mee n LEU 84 Cb 0.16 -0.14 0.06 0.00 -2.33 0.00 0.00 43.42 41.17 2mee n LEU 84 CO 0.28 0.30 0.48 0.18 -1.33 0.00 0.00 177.39 177.30 2mee n LEU 85 N 0.15 2.08 -4.83 2.23 4.77 -0.37 -3.41 117.00 117.62 2mee n LEU 85 Ca 0.11 -1.60 -0.30 0.00 -0.03 0.00 0.00 56.01 54.18 2mee n LEU 85 Cb 0.22 -0.07 0.07 0.00 -2.33 0.00 0.00 43.42 41.31 2mee n LEU 85 CO 0.08 0.50 0.72 -1.10 -1.33 0.00 0.00 177.39 176.25 2mee s GLN 86 N -0.79 2.56 0.18 3.23 -0.21 -1.23 -4.55 119.66 118.86 2mee s GLN 86 Ca 0.10 0.69 0.05 0.00 0.02 0.00 0.00 55.36 56.22 2mee s GLN 86 Cb 0.06 -1.97 0.04 0.00 1.00 0.00 0.00 33.01 32.14 2mee s GLN 86 CO 0.08 -1.30 1.42 -0.44 -2.12 0.00 0.00 175.29 172.93 2mee h ASP 87 N -0.85 0.13 -3.14 5.90 3.32 -1.93 -3.41 116.42 116.44 2mee h ASP 87 Ca -0.46 -0.11 -0.58 0.00 0.02 0.00 0.00 57.03 55.91 2mee h ASP 87 Cb 1.25 -0.04 -0.06 0.00 0.22 0.00 0.00 39.33 40.69 2mee h ASP 87 CO 0.60 0.91 0.70 0.21 -1.72 0.00 0.00 179.24 179.94 2mee s ASN 88 N -6.86 7.06 0.00 6.45 3.84 -1.26 -4.91 114.94 119.26 2mee s ASN 88 Ca -0.02 1.33 0.14 0.00 0.21 0.00 0.00 52.86 54.52 2mee s ASN 88 Cb 0.11 -2.52 0.42 0.00 -0.55 0.00 0.00 41.25 38.71 2mee s ASN 88 CO 0.81 -0.61 1.34 2.30 -2.79 0.00 0.00 177.10 178.15 2mee n ILE 89 N 5.20 0.54 -0.21 -5.21 -5.35 -1.26 -4.47 119.36 108.60 2mee n ILE 89 Ca 0.10 -0.56 0.00 0.00 -0.27 0.00 0.00 62.75 62.03 2mee n ILE 89 Cb 0.47 0.32 0.11 0.00 -1.74 0.00 0.00 39.64 38.80 2mee n ILE 89 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2mee h ALA 90 N 3.84 0.81 -0.47 -1.28 0.00 -1.95 0.10 119.26 120.30 2mee h ALA 90 Ca 0.00 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 2mee h ALA 90 Cb 0.58 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2mee h ALA 90 CO 0.00 -0.18 -0.23 -0.44 0.00 0.00 0.00 179.25 178.40 2mee h ASP 91 N 0.43 1.01 -0.57 0.00 3.32 -1.88 -0.93 116.42 117.80 2mee h ASP 91 Ca 0.32 -0.39 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 2mee h ASP 91 Cb 0.39 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 2mee h ASP 91 CO -0.31 1.19 0.22 0.00 -1.72 0.00 0.00 179.24 178.63 2mee h ALA 92 N 0.88 1.25 -0.24 3.45 0.00 -1.61 -1.21 119.26 121.78 2mee h ALA 92 Ca 0.11 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2mee h ALA 92 Cb 0.81 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2mee h ALA 92 CO 0.07 0.55 -0.32 0.28 0.00 0.00 0.00 179.25 179.82 2mee h VAL 93 N 0.88 1.32 -0.48 0.00 2.07 -0.58 -0.69 116.25 118.78 2mee h VAL 93 Ca 0.21 -1.52 -0.00 0.00 0.82 0.00 0.00 66.70 66.20 2mee h VAL 93 Cb 0.20 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 2mee h VAL 93 CO -0.02 0.48 0.29 0.00 0.02 0.00 0.00 177.57 178.34 2mee h ALA 94 N 0.65 1.61 -0.02 1.67 0.00 -0.84 -1.54 119.26 120.80 2mee h ALA 94 Ca 0.03 -0.05 -0.25 0.00 0.00 0.00 0.00 54.91 54.63 2mee h ALA 94 Cb 0.90 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.51 2mee h ALA 94 CO 0.08 0.34 -0.98 0.00 0.00 0.00 0.00 179.25 178.69 2mee h ALA 96 N 0.54 1.39 -0.80 0.00 0.00 -0.72 -1.36 119.26 118.30 2mee h ALA 96 Ca -0.10 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2mee h ALA 96 Cb 1.62 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.19 2mee h ALA 96 CO 0.19 0.44 0.38 0.87 0.00 0.00 0.00 179.25 181.13 2mee h LYS 97 N 0.62 1.16 -0.40 0.00 1.57 -1.24 -2.62 116.57 115.65 2mee h LYS 97 Ca 0.14 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2mee h LYS 97 Cb 0.23 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 2mee h LYS 97 CO -0.00 0.90 0.15 -0.09 -0.57 0.00 0.00 179.45 179.84 2mee h ARG 98 N 1.14 0.61 -0.45 3.15 9.65 -1.11 -2.73 114.38 124.64 2mee h ARG 98 Ca 0.27 -0.12 0.07 0.00 -1.10 0.00 0.00 59.98 59.11 2mee h ARG 98 Cb 0.13 -0.10 -0.06 0.00 -1.39 0.00 0.00 29.97 28.55 2mee h ARG 98 CO -0.03 0.59 0.08 0.28 2.80 0.00 0.00 179.97 183.68 2mee h VAL 99 N 0.51 0.74 0.00 0.20 2.07 -1.00 -1.71 116.25 117.05 2mee h VAL 99 Ca 0.13 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.58 2mee h VAL 99 Cb 0.21 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2mee h VAL 99 CO -0.01 0.04 0.00 1.33 0.02 0.00 0.00 177.57 178.95 2mee n VAL 100 N -5.12 0.20 0.67 2.57 0.24 -1.01 -2.29 118.33 113.59 2mee n VAL 100 Ca 0.04 0.05 0.12 0.00 -2.04 0.00 0.00 64.34 62.51 2mee n VAL 100 Cb 0.22 -0.64 0.47 0.00 -1.47 0.00 0.00 33.84 32.42 2mee n VAL 100 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 2mee n ARG 101 N -1.28 0.14 -2.11 7.34 0.63 -0.64 -4.31 116.66 116.43 2mee n ARG 101 Ca 0.12 0.20 -0.30 0.00 -0.92 0.00 0.00 57.85 56.95 2mee n ARG 101 Cb 0.20 -1.69 0.02 0.00 0.45 0.00 0.00 32.46 31.43 2mee n ARG 101 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2mee s ASP 102 N -3.85 6.03 0.31 6.15 1.11 -0.97 -4.99 116.67 120.46 2mee s ASP 102 Ca 0.10 1.18 0.07 0.00 0.18 0.00 0.00 52.55 54.08 2mee s ASP 102 Cb 0.13 -2.24 0.82 0.00 1.07 0.00 0.00 42.92 42.70 2mee s ASP 102 CO 0.50 -0.91 1.72 1.55 1.18 0.00 0.00 175.17 179.21 2mee h PRO 103 N -0.24 0.49 0.00 8.23 0.13 -1.88 -2.08 132.00 136.66 2mee h PRO 103 Ca -0.45 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 2mee h PRO 103 Cb 1.21 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 2mee h PRO 103 CO 0.62 0.33 -0.11 1.96 -0.23 0.00 0.00 178.00 180.57 2mee h GLN 104 N 0.51 0.00 0.00 0.86 4.20 -1.91 -3.48 115.11 115.29 2mee h GLN 104 Ca 0.61 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.32 2mee h GLN 104 Cb 1.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.93 2mee h GLN 104 CO -0.50 0.11 0.00 0.41 -0.67 0.00 0.00 178.83 178.18 2mee n GLY 105 N -0.82 2.65 0.29 3.46 0.00 -0.78 -2.06 105.19 107.93 2mee n GLY 105 Ca -0.02 -0.41 0.16 0.00 0.00 0.00 0.00 46.02 45.75 2mee n GLY 105 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2mee h ILE 106 N 0.00 0.33 0.00 -0.61 6.09 -1.91 -2.43 117.51 118.98 2mee h ILE 106 Ca 0.00 -0.36 0.00 0.00 -1.37 0.00 0.00 64.86 63.13 2mee h ILE 106 Cb 0.00 1.27 0.00 0.00 0.47 0.00 0.00 36.82 38.56 2mee h ILE 106 CO 0.00 0.06 0.00 0.54 -3.07 0.00 0.00 178.15 175.68 2mee n ARG 107 N -3.43 0.06 0.20 2.19 1.74 -0.87 -2.69 116.66 113.85 2mee n ARG 107 Ca -0.02 0.44 0.14 0.00 -0.77 0.00 0.00 57.85 57.64 2mee n ARG 107 Cb 0.20 -1.65 0.73 0.00 -1.02 0.00 0.00 32.46 30.72 2mee n ARG 107 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2mee h ALA 108 N 2.18 1.99 -2.68 7.54 0.00 -1.58 -3.38 119.26 123.34 2mee h ALA 108 Ca 0.00 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 54.26 2mee h ALA 108 Cb 0.13 0.01 -0.16 0.00 0.00 0.00 0.00 17.79 17.77 2mee h ALA 108 CO 0.00 -0.20 -0.26 -1.58 0.00 0.00 0.00 179.25 177.20 2mee s TRP 109 N -4.90 3.23 0.38 0.00 0.51 -1.09 -4.96 118.94 112.11 2mee s TRP 109 Ca -0.05 0.24 0.07 0.00 -2.12 0.00 0.00 56.10 54.24 2mee s TRP 109 Cb 0.17 -2.61 0.77 0.00 -0.81 0.00 0.00 33.47 30.99 2mee s TRP 109 CO 0.64 -0.30 1.96 0.28 -0.51 0.00 0.00 176.95 179.02 2mee h VAL 110 N 5.45 1.15 -0.63 4.03 2.07 -1.89 -2.07 116.25 124.36 2mee h VAL 110 Ca -0.31 -0.53 0.04 0.00 0.82 0.00 0.00 66.70 66.72 2mee h VAL 110 Cb 1.16 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 2mee h VAL 110 CO 0.66 0.19 0.42 0.00 0.02 0.00 0.00 177.57 178.85 2mee h ALA 111 N 1.64 1.68 -0.62 1.67 0.00 -1.94 -1.71 119.26 119.99 2mee h ALA 111 Ca 0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2mee h ALA 111 Cb 0.18 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2mee h ALA 111 CO -0.00 0.25 0.31 2.35 0.00 0.00 0.00 179.25 182.16 2mee h TRP 112 N 0.73 0.88 -0.65 0.00 7.01 -1.69 -0.22 115.95 122.01 2mee h TRP 112 Ca 0.25 -0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.19 2mee h TRP 112 Cb 0.11 -0.28 -0.03 0.00 -2.10 0.00 0.00 29.16 26.86 2mee h TRP 112 CO -0.00 0.66 0.30 0.00 -2.79 0.00 0.00 178.44 176.60 2mee h ARG 113 N 0.85 0.94 -0.13 2.65 3.08 -1.35 0.22 114.38 120.63 2mee h ARG 113 Ca 0.21 -0.15 -0.11 0.00 0.07 0.00 0.00 59.98 60.00 2mee h ARG 113 Cb 0.10 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.99 2mee h ARG 113 CO -0.03 0.76 -0.36 -0.91 -1.07 0.00 0.00 179.97 178.36 2mee h ASN 114 N 0.90 0.54 0.00 7.04 2.35 -1.26 -3.36 115.58 121.79 2mee h ASN 114 Ca 0.22 -0.59 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 2mee h ASN 114 Cb 0.14 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.36 2mee h ASN 114 CO -0.03 1.04 -0.98 0.54 -1.65 0.00 0.00 177.43 176.35 2mee n ARG 115 N -4.34 1.59 0.00 0.81 5.12 -0.11 -4.86 116.66 114.87 2mee n ARG 115 Ca -0.07 -0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.81 2mee n ARG 115 Cb 0.52 -1.26 0.00 0.00 -1.16 0.00 0.00 32.46 30.56 2mee n ARG 115 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2mee n GLN 117 N -2.67 1.29 -1.44 0.00 7.27 -0.19 -1.66 117.38 119.99 2mee n GLN 117 Ca 0.00 0.46 -0.15 0.00 0.07 0.00 0.00 57.00 57.38 2mee n GLN 117 Cb 0.44 -2.06 -0.07 0.00 2.41 0.00 0.00 30.24 30.96 2mee n GLN 117 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 2mee n ASN 118 N 2.37 -5.32 -4.80 1.69 5.03 -1.26 -4.97 115.26 108.00 2mee n ASN 118 Ca 0.16 0.38 -0.23 0.00 0.87 0.00 0.00 54.58 55.77 2mee n ASN 118 Cb 0.23 -4.16 -0.05 0.00 -1.02 0.00 0.00 39.78 34.78 2mee n ASN 118 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2mee s ARG 119 N -3.25 2.42 -0.58 3.52 0.52 -0.66 -5.06 118.95 115.85 2mee s ARG 119 Ca 0.00 -1.61 -0.25 0.00 -0.52 0.00 0.00 55.73 53.35 2mee s ARG 119 Cb 0.00 -2.21 0.04 0.00 0.52 0.00 0.00 34.95 33.30 2mee s ARG 119 CO 0.00 -0.07 0.99 0.34 0.02 0.00 0.00 175.30 176.58 2mee s ASP 120 N -3.98 6.32 0.00 0.23 -1.08 -1.26 -4.86 116.67 112.04 2mee s ASP 120 Ca 0.43 -0.38 0.23 0.00 -0.52 0.00 0.00 52.55 52.30 2mee s ASP 120 Cb -0.01 -2.46 0.50 0.00 -1.46 0.00 0.00 42.92 39.49 2mee s ASP 120 CO 0.25 -1.32 1.44 1.33 0.52 0.00 0.00 175.17 177.39 2mee n VAL 121 N 6.23 0.61 -0.35 1.11 0.24 -1.26 -4.56 118.33 120.34 2mee n VAL 121 Ca 0.02 -0.78 0.14 0.00 -2.04 0.00 0.00 64.34 61.68 2mee n VAL 121 Cb 0.47 0.82 0.34 0.00 -1.47 0.00 0.00 33.84 34.00 2mee n VAL 121 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 2mee h ARG 122 N 4.30 0.66 -0.86 7.34 3.08 -1.93 -2.28 114.38 124.69 2mee h ARG 122 Ca 0.00 -0.04 0.23 0.00 0.07 0.00 0.00 59.98 60.24 2mee h ARG 122 Cb 0.96 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.81 2mee h ARG 122 CO 0.00 0.44 0.60 -0.56 -1.07 0.00 0.00 179.97 179.38 2mee h GLN 123 N 0.68 0.13 0.00 0.04 3.07 -1.98 -1.90 115.11 115.15 2mee h GLN 123 Ca 0.60 -0.01 -0.03 0.00 0.09 0.00 0.00 58.65 59.31 2mee h GLN 123 Cb 1.02 -0.03 -0.00 0.00 0.08 0.00 0.00 27.48 28.54 2mee h GLN 123 CO -0.42 0.08 -0.13 1.88 0.09 0.00 0.00 178.83 180.33 2mee h TYR 124 N 0.13 0.00 -0.00 0.06 0.05 -1.75 -3.17 116.97 112.29 2mee h TYR 124 Ca 0.42 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.20 2mee h TYR 124 Cb 1.47 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.21 2mee h TYR 124 CO -0.00 0.13 -0.01 1.33 -1.05 0.00 0.00 178.16 178.56 2mee n VAL 125 N -3.69 0.00 -1.69 -2.88 0.24 -0.75 -4.84 118.33 104.72 2mee n VAL 125 Ca -0.02 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.34 61.36 2mee n VAL 125 Cb 0.25 1.06 -0.03 0.00 -1.47 0.00 0.00 33.84 33.65 2mee n VAL 125 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2mee n GLN 126 N 0.08 2.69 -0.97 7.34 1.13 -0.97 -2.26 117.38 124.43 2mee n GLN 126 Ca 0.02 0.98 0.00 0.00 -1.94 0.00 0.00 57.00 56.05 2mee n GLN 126 Cb 0.07 -2.85 0.00 0.00 0.11 0.00 0.00 30.24 27.57 2mee n GLN 126 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2mee n GLY 127 N 4.14 0.62 0.07 1.08 0.00 -1.26 -4.91 105.19 104.92 2mee n GLY 127 Ca 0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.34 2mee n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2mee n GLY 129 N 1.38 0.12 0.07 0.00 0.00 -1.26 -4.82 105.19 100.68 2mee n GLY 129 Ca 0.11 -0.49 0.01 0.00 0.00 0.00 0.00 46.02 45.65 2mee n GLY 129 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65