#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rrg h ASN 3 N 0.00 1.00 -0.46 1.61 -1.24 -1.85 0.09 115.58 114.73 1rrg h ASN 3 Ca 0.00 -0.25 0.07 0.00 0.71 0.00 0.00 56.30 56.83 1rrg h ASN 3 Cb 0.00 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 38.76 1rrg h ASN 3 CO 0.00 1.00 0.31 0.16 -1.29 0.00 0.00 177.43 177.61 1rrg h ILE 4 N 0.96 0.93 0.03 2.57 3.07 -1.99 -1.29 117.51 121.79 1rrg h ILE 4 Ca 0.19 -0.11 -0.22 0.00 1.55 0.00 0.00 64.86 66.27 1rrg h ILE 4 Cb 0.42 0.58 -0.01 0.00 -0.27 0.00 0.00 36.82 37.54 1rrg h ILE 4 CO 0.01 0.06 -1.00 -0.26 -1.05 0.00 0.00 178.15 175.91 1rrg h PHE 5 N 0.32 0.25 -0.02 0.16 0.04 -1.54 -3.21 116.94 112.94 1rrg h PHE 5 Ca 0.20 -0.16 -0.00 0.00 2.80 0.00 0.00 57.97 60.81 1rrg h PHE 5 Cb 0.39 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.52 1rrg h PHE 5 CO -0.00 1.05 -0.00 0.00 -0.60 0.00 0.00 178.31 178.76 1rrg h ALA 6 N 0.89 0.03 -0.65 2.45 0.00 0.13 -3.02 119.26 119.09 1rrg h ALA 6 Ca -0.06 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 54.79 1rrg h ALA 6 Cb 1.69 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.43 1rrg h ALA 6 CO 0.15 -0.28 0.44 -0.91 0.00 0.00 0.00 179.25 178.64 1rrg h ASN 7 N -0.30 0.38 -0.13 0.00 2.35 -1.55 -2.10 115.58 114.24 1rrg h ASN 7 Ca 0.01 0.01 0.04 0.00 -0.55 0.00 0.00 56.30 55.81 1rrg h ASN 7 Cb 0.36 -0.07 -0.07 0.00 0.05 0.00 0.00 38.32 38.60 1rrg h ASN 7 CO 0.00 0.22 -0.39 -0.07 -1.65 0.00 0.00 177.43 175.54 1rrg h LEU 8 N 0.42 -1.20 -0.36 1.61 3.38 -1.53 -2.22 115.31 115.41 1rrg h LEU 8 Ca 0.31 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.44 1rrg h LEU 8 Cb 0.64 0.50 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1rrg h LEU 8 CO -0.09 -0.41 0.00 -0.26 0.09 0.00 0.00 178.44 177.77 1rrg h PHE 9 N -0.46 0.00 -0.72 1.13 0.04 -1.46 -3.38 116.94 112.08 1rrg h PHE 9 Ca 0.08 0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.92 1rrg h PHE 9 Cb 0.60 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.67 1rrg h PHE 9 CO -0.46 0.00 -0.43 1.63 -0.60 0.00 0.00 178.31 178.46 1rrg n LYS 10 N -2.66 -0.32 -0.35 1.51 5.02 -0.83 0.46 118.16 120.99 1rrg n LYS 10 Ca 0.04 1.12 0.24 0.00 -2.02 0.00 0.00 58.31 57.69 1rrg n LYS 10 Cb 0.41 -1.64 0.51 0.00 -0.02 0.00 0.00 35.03 34.29 1rrg n LYS 10 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1rrg h GLY 11 N 0.00 1.40 0.38 0.72 0.00 -1.75 0.39 103.07 104.21 1rrg h GLY 11 Ca 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1rrg h GLY 11 CO -0.68 -0.23 0.00 1.04 0.00 0.00 0.00 176.54 176.67 1rrg n LEU 12 N -4.71 0.00 -3.60 3.11 4.32 0.17 -4.56 117.00 111.73 1rrg n LEU 12 Ca 0.28 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.86 1rrg n LEU 12 Cb 0.96 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 42.75 1rrg n LEU 12 CO 0.22 0.00 2.89 0.49 -1.22 0.00 0.00 177.39 179.77 1rrg n PHE 13 N -0.69 3.18 -0.57 -1.77 3.72 0.14 -4.88 117.46 116.59 1rrg n PHE 13 Ca 0.05 -3.01 0.00 0.00 -0.05 0.00 0.00 57.45 54.44 1rrg n PHE 13 Cb 0.02 -2.52 0.00 0.00 -0.94 0.00 0.00 39.48 36.04 1rrg n PHE 13 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rrg n GLY 14 N 3.89 1.44 0.18 1.37 0.00 -1.26 -4.98 105.19 105.83 1rrg n GLY 14 Ca 0.60 -1.72 0.09 0.00 0.00 0.00 0.00 46.02 44.99 1rrg n GLY 14 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1rrg n LYS 15 N 0.00 1.24 -1.68 1.61 2.85 -1.26 -4.81 118.16 116.11 1rrg n LYS 15 Ca 0.00 -0.38 -0.46 0.00 -1.05 0.00 0.00 58.31 56.42 1rrg n LYS 15 Cb 0.00 -1.36 -0.04 0.00 -0.65 0.00 0.00 35.03 32.98 1rrg n LYS 15 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1rrg n LYS 16 N -0.85 2.33 -2.45 -1.58 2.85 -1.26 -4.93 118.16 112.27 1rrg n LYS 16 Ca 0.05 0.85 -0.43 0.00 -1.05 0.00 0.00 58.31 57.73 1rrg n LYS 16 Cb 0.33 -2.68 -0.02 0.00 -0.65 0.00 0.00 35.03 32.01 1rrg n LYS 16 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1rrg s GLU 17 N 2.52 3.88 0.39 -1.58 2.12 -1.26 -4.74 118.70 120.04 1rrg s GLU 17 Ca 0.85 1.15 0.06 0.00 0.36 0.00 0.00 54.97 57.38 1rrg s GLU 17 Cb -0.63 -3.88 -0.07 0.00 0.26 0.00 0.00 34.13 29.81 1rrg s GLU 17 CO 0.43 -1.16 0.02 -1.64 -0.54 0.00 0.00 175.26 172.37 1rrg s MET 18 N 4.21 1.90 -0.18 4.30 -1.94 -0.73 -5.04 119.30 121.81 1rrg s MET 18 Ca 0.55 -2.08 -0.11 0.00 -1.71 0.00 0.00 55.69 52.34 1rrg s MET 18 Cb -0.15 -1.44 0.06 0.00 2.01 0.00 0.00 34.83 35.31 1rrg s MET 18 CO 0.24 -0.10 0.45 0.50 -0.01 0.00 0.00 175.02 176.09 1rrg s ARG 19 N -3.76 0.46 -0.23 2.03 3.52 -1.17 -3.10 118.95 116.69 1rrg s ARG 19 Ca 0.34 0.79 -0.05 0.00 -0.13 0.00 0.00 55.73 56.69 1rrg s ARG 19 Cb 0.09 0.06 -0.01 0.00 -1.56 0.00 0.00 34.95 33.53 1rrg s ARG 19 CO 0.17 -0.13 -0.01 0.42 -0.81 0.00 0.00 175.30 174.93 1rrg s ILE 20 N 1.15 3.67 -0.28 4.11 1.01 -0.38 -1.75 121.20 128.73 1rrg s ILE 20 Ca -0.07 -0.39 -0.13 0.00 0.00 0.00 0.00 60.65 60.05 1rrg s ILE 20 Cb -0.07 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 1rrg s ILE 20 CO -0.10 0.40 0.28 -0.22 0.00 0.00 0.00 174.94 175.30 1rrg s LEU 21 N 1.48 4.05 -0.26 2.97 0.20 -0.19 -1.24 118.68 125.69 1rrg s LEU 21 Ca 0.06 0.11 -0.03 0.00 0.69 0.00 0.00 54.13 54.96 1rrg s LEU 21 Cb -0.14 -2.27 0.02 0.00 -0.43 0.00 0.00 46.19 43.37 1rrg s LEU 21 CO -0.01 -0.12 -0.03 -0.32 -0.29 0.00 0.00 176.35 175.58 1rrg s MET 22 N 1.91 2.92 0.25 1.98 1.75 -0.28 -0.46 119.30 127.37 1rrg s MET 22 Ca 0.11 -0.93 0.01 0.00 -1.25 0.00 0.00 55.69 53.62 1rrg s MET 22 Cb -0.16 -3.08 -0.05 0.00 2.84 0.00 0.00 34.83 34.38 1rrg s MET 22 CO 0.11 -0.40 0.11 0.14 -0.65 0.00 0.00 175.02 174.32 1rrg s VAL 23 N 1.37 0.42 0.00 10.11 -7.23 -0.30 -3.33 120.40 121.44 1rrg s VAL 23 Ca 0.01 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.18 1rrg s VAL 23 Cb -0.17 -2.60 0.00 0.00 0.56 0.00 0.00 36.38 34.17 1rrg s VAL 23 CO -0.03 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.37 1rrg n GLY 24 N -0.43 2.57 3.40 2.32 0.00 -1.26 -1.83 105.19 109.97 1rrg n GLY 24 Ca 0.01 -1.16 -0.33 0.00 0.00 0.00 0.00 46.02 44.54 1rrg n GLY 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rrg n LEU 25 N 0.00 -0.51 -4.76 0.99 4.32 -1.26 -2.60 117.00 113.18 1rrg n LEU 25 Ca 0.00 0.28 -0.36 0.00 -0.02 0.00 0.00 56.01 55.91 1rrg n LEU 25 Cb 0.00 -1.18 0.02 0.00 -1.62 0.00 0.00 43.42 40.64 1rrg n LEU 25 CO 0.00 -3.60 0.83 1.51 -1.22 0.00 0.00 177.39 174.92 1rrg s ASP 26 N -1.99 5.46 0.00 -1.43 -4.77 -1.26 -2.89 116.67 109.79 1rrg s ASP 26 Ca 0.57 2.35 0.00 0.00 -3.30 0.00 0.00 52.55 52.16 1rrg s ASP 26 Cb -0.20 -2.60 0.00 0.00 -1.09 0.00 0.00 42.92 39.03 1rrg s ASP 26 CO 0.67 -1.41 0.00 0.00 0.70 0.00 0.00 175.17 175.14 1rrg n ALA 27 N -1.33 0.00 -0.10 2.11 0.00 -1.26 -4.91 120.51 115.03 1rrg n ALA 27 Ca 0.12 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.49 1rrg n ALA 27 Cb 0.49 -0.21 0.09 0.00 0.00 0.00 0.00 19.45 19.83 1rrg n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rrg h ALA 28 N 0.00 0.90 0.00 0.00 0.00 -1.88 -3.46 119.26 114.82 1rrg h ALA 28 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1rrg h ALA 28 Cb 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1rrg h ALA 28 CO 0.00 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.29 1rrg n GLY 29 N -0.30 1.33 0.27 0.00 0.00 -1.26 -4.39 105.19 100.85 1rrg n GLY 29 Ca 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 1rrg n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rrg h LYS 30 N 0.00 0.93 -0.11 1.61 1.57 -1.91 -0.60 116.57 118.06 1rrg h LYS 30 Ca 0.00 -0.20 -0.14 0.00 -1.87 0.00 0.00 60.65 58.43 1rrg h LYS 30 Cb 0.00 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1rrg h LYS 30 CO 0.00 0.83 -0.55 1.15 -0.57 0.00 0.00 179.45 180.31 1rrg h THR 31 N 0.85 1.35 -0.32 -0.16 2.02 -1.99 -1.30 112.91 113.36 1rrg h THR 31 Ca 0.19 -1.85 -0.17 0.00 0.77 0.00 0.00 66.41 65.36 1rrg h THR 31 Cb 0.30 1.88 -0.00 0.00 -1.74 0.00 0.00 68.15 68.58 1rrg h THR 31 CO -0.00 0.55 -0.47 0.74 0.37 0.00 0.00 175.52 176.71 1rrg h THR 32 N 0.25 1.28 -0.06 3.16 2.02 -1.94 -1.79 112.91 115.82 1rrg h THR 32 Ca 0.00 -1.65 -0.00 0.00 0.77 0.00 0.00 66.41 65.53 1rrg h THR 32 Cb 1.05 1.52 -0.00 0.00 -1.74 0.00 0.00 68.15 68.98 1rrg h THR 32 CO 0.09 0.54 0.03 0.40 0.37 0.00 0.00 175.52 176.95 1rrg h ILE 33 N 0.68 1.13 -0.83 3.11 2.04 -1.00 -0.10 117.51 122.54 1rrg h ILE 33 Ca 0.04 -0.38 0.10 0.00 1.00 0.00 0.00 64.86 65.61 1rrg h ILE 33 Cb 1.06 1.27 -0.07 0.00 -0.74 0.00 0.00 36.82 38.33 1rrg h ILE 33 CO 0.11 0.11 0.48 -0.07 0.00 0.00 0.00 178.15 178.77 1rrg h LEU 34 N -0.04 0.68 -0.78 1.44 3.38 -1.19 -0.59 115.31 118.21 1rrg h LEU 34 Ca 0.02 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 1rrg h LEU 34 Cb 0.15 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1rrg h LEU 34 CO -0.00 0.38 -0.60 0.22 0.09 0.00 0.00 178.44 178.53 1rrg h TYR 35 N 0.79 0.04 -0.37 1.13 3.20 -1.05 -3.13 116.97 117.58 1rrg h TYR 35 Ca 0.40 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 62.14 1rrg h TYR 35 Cb 0.38 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 1rrg h TYR 35 CO -0.06 0.62 -0.27 0.87 -1.64 0.00 0.00 178.16 177.68 1rrg h LYS 36 N 0.02 0.76 -0.07 1.82 1.79 0.56 -3.16 116.57 118.29 1rrg h LYS 36 Ca -0.01 -0.33 0.02 0.00 -2.18 0.00 0.00 60.65 58.16 1rrg h LYS 36 Cb 1.07 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.69 1rrg h LYS 36 CO 0.08 0.94 0.06 -0.07 -1.08 0.00 0.00 179.45 179.38 1rrg h LEU 37 N 0.65 0.00 -1.06 2.94 3.38 -1.35 -3.38 115.31 116.49 1rrg h LEU 37 Ca 0.08 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.58 1rrg h LEU 37 Cb 0.79 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1rrg h LEU 37 CO 0.07 0.00 -0.76 0.29 0.09 0.00 0.00 178.44 178.12 1rrg n LYS 38 N -4.39 -5.56 0.00 1.13 5.02 -1.20 -3.33 118.16 109.83 1rrg n LYS 38 Ca -0.01 0.61 0.12 0.00 -2.02 0.00 0.00 58.31 57.00 1rrg n LYS 38 Cb 0.16 -5.47 0.20 0.00 -0.02 0.00 0.00 35.03 29.91 1rrg n LYS 38 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1rrg n LEU 39 N -4.66 1.05 0.00 -0.35 4.32 -1.26 -4.74 117.00 111.36 1rrg n LEU 39 Ca 0.00 -0.31 0.00 0.00 -0.02 0.00 0.00 56.01 55.68 1rrg n LEU 39 Cb 0.54 -0.12 0.00 0.00 -1.62 0.00 0.00 43.42 42.22 1rrg n LEU 39 CO 0.75 0.21 0.00 0.61 -1.22 0.00 0.00 177.39 177.74 1rrg n GLY 40 N 1.42 -1.40 3.76 -0.72 0.00 -1.26 -4.57 105.19 102.42 1rrg n GLY 40 Ca 0.09 -1.37 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 1rrg n GLY 40 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rrg s GLU 41 N -1.95 4.75 -0.53 1.61 2.02 -1.26 -4.97 118.70 118.38 1rrg s GLU 41 Ca 0.00 1.47 -0.21 0.00 0.02 0.00 0.00 54.97 56.25 1rrg s GLU 41 Cb 0.00 -3.12 0.05 0.00 0.10 0.00 0.00 34.13 31.16 1rrg s GLU 41 CO 0.00 0.42 0.76 0.42 0.02 0.00 0.00 175.26 176.87 1rrg s ILE 42 N -1.31 4.67 -0.19 -1.63 1.01 -1.26 -4.30 121.20 118.19 1rrg s ILE 42 Ca 0.44 -0.18 -0.08 0.00 0.00 0.00 0.00 60.65 60.83 1rrg s ILE 42 Cb -0.24 -4.40 -0.04 0.00 0.01 0.00 0.00 42.46 37.78 1rrg s ILE 42 CO 0.30 -0.94 0.09 0.68 0.00 0.00 0.00 174.94 175.07 1rrg s VAL 43 N 3.18 4.99 -0.12 2.92 -7.23 -0.77 -4.86 120.40 118.51 1rrg s VAL 43 Ca 0.21 0.04 -0.16 0.00 -1.81 0.00 0.00 61.98 60.27 1rrg s VAL 43 Cb -0.16 -3.27 -0.05 0.00 0.56 0.00 0.00 36.38 33.46 1rrg s VAL 43 CO 0.15 0.45 0.39 -0.89 -0.31 0.00 0.00 175.10 174.88 1rrg s THR 44 N 0.44 5.22 0.29 5.32 2.01 -1.26 -1.26 115.64 126.40 1rrg s THR 44 Ca 0.05 0.76 0.06 0.00 0.31 0.00 0.00 61.69 62.87 1rrg s THR 44 Cb -0.12 -3.72 -0.06 0.00 0.01 0.00 0.00 72.50 68.61 1rrg s THR 44 CO -0.00 0.39 -0.04 0.42 -0.69 0.00 0.00 174.62 174.69 1rrg s THR 45 N 0.31 1.64 -0.45 -0.82 -4.23 -0.38 -4.98 115.64 106.73 1rrg s THR 45 Ca 0.21 -2.11 0.05 0.00 -1.18 0.00 0.00 61.69 58.66 1rrg s THR 45 Cb -0.14 -2.52 0.18 0.00 1.34 0.00 0.00 72.50 71.36 1rrg s THR 45 CO 0.08 -0.25 0.40 -0.38 -0.54 0.00 0.00 174.62 173.93 1rrg n ILE 46 N -0.62 -0.65 -0.31 2.99 5.41 -1.26 -1.85 119.36 123.06 1rrg n ILE 46 Ca -0.05 -3.76 0.16 0.00 1.00 0.00 0.00 62.75 60.10 1rrg n ILE 46 Cb 0.64 -1.78 0.35 0.00 -0.71 0.00 0.00 39.64 38.14 1rrg n ILE 46 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 1rrg h PRO 47 N 5.30 0.30 -4.44 0.38 0.11 -1.95 -3.42 132.00 128.27 1rrg h PRO 47 Ca 0.22 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 66.11 1rrg h PRO 47 Cb 0.88 -0.07 -0.17 0.00 0.11 0.00 0.00 31.00 31.75 1rrg h PRO 47 CO 0.44 0.20 -0.70 0.99 -0.21 0.00 0.00 178.00 178.72 1rrg s THR 48 N -5.84 0.46 0.40 -1.15 2.01 -1.26 -5.06 115.64 105.20 1rrg s THR 48 Ca -0.11 -1.56 -0.26 0.00 0.31 0.00 0.00 61.69 60.06 1rrg s THR 48 Cb 0.27 -1.19 -0.10 0.00 0.01 0.00 0.00 72.50 71.49 1rrg s THR 48 CO 0.78 -0.73 1.34 2.30 -0.69 0.00 0.00 174.62 177.61 1rrg n ILE 49 N 0.58 2.39 0.00 1.82 -5.35 -1.26 -0.87 119.36 116.67 1rrg n ILE 49 Ca -0.17 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.81 1rrg n ILE 49 Cb 0.59 -1.68 0.00 0.00 -1.74 0.00 0.00 39.64 36.81 1rrg n ILE 49 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1rrg n GLY 50 N 0.71 2.91 3.27 3.28 0.00 -1.26 -4.95 105.19 109.14 1rrg n GLY 50 Ca 0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 1rrg n GLY 50 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1rrg s PHE 51 N -1.72 3.49 -0.20 1.61 5.36 -0.05 -5.05 117.98 121.42 1rrg s PHE 51 Ca 0.00 -1.83 -0.15 0.00 -0.96 0.00 0.00 56.93 54.00 1rrg s PHE 51 Cb 0.00 -3.67 -0.04 0.00 -0.34 0.00 0.00 43.02 38.96 1rrg s PHE 51 CO 0.00 -0.98 0.34 -0.80 -1.46 0.00 0.00 175.22 172.32 1rrg s ASN 52 N 2.56 6.39 -0.07 6.13 -0.87 -1.26 -3.29 114.94 124.53 1rrg s ASN 52 Ca 0.10 0.46 0.03 0.00 -1.57 0.00 0.00 52.86 51.88 1rrg s ASN 52 Cb -0.21 -2.20 0.01 0.00 -0.02 0.00 0.00 41.25 38.82 1rrg s ASN 52 CO -0.03 -0.02 -0.15 -0.69 -2.57 0.00 0.00 177.10 173.64 1rrg s VAL 53 N 1.11 1.38 -0.07 1.60 1.01 -0.77 -4.59 120.40 120.05 1rrg s VAL 53 Ca 0.17 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.49 1rrg s VAL 53 Cb -0.14 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 1rrg s VAL 53 CO 0.07 0.41 0.09 -1.61 0.00 0.00 0.00 175.10 174.06 1rrg s GLU 54 N 0.55 3.23 -0.03 2.72 2.02 -0.63 -1.25 118.70 125.31 1rrg s GLU 54 Ca -0.15 -0.30 -0.01 0.00 0.02 0.00 0.00 54.97 54.53 1rrg s GLU 54 Cb -0.16 -3.00 0.02 0.00 0.10 0.00 0.00 34.13 31.10 1rrg s GLU 54 CO 0.05 0.72 0.05 0.99 0.02 0.00 0.00 175.26 177.09 1rrg s THR 55 N -1.05 -0.04 -0.03 3.63 2.01 -0.39 -0.98 115.64 118.78 1rrg s THR 55 Ca 0.17 0.15 0.07 0.00 0.31 0.00 0.00 61.69 62.39 1rrg s THR 55 Cb -0.12 -0.10 -0.02 0.00 0.01 0.00 0.00 72.50 72.27 1rrg s THR 55 CO 0.07 0.06 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.14 1rrg s VAL 56 N 0.80 2.25 -0.07 3.82 1.01 -0.98 -1.84 120.40 125.40 1rrg s VAL 56 Ca -0.07 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 60.91 1rrg s VAL 56 Cb -0.09 -1.81 0.01 0.00 0.00 0.00 0.00 36.38 34.49 1rrg s VAL 56 CO -0.03 0.58 -0.14 -1.61 0.00 0.00 0.00 175.10 173.91 1rrg s GLU 57 N -0.55 1.87 0.00 2.72 2.02 -1.26 -0.37 118.70 123.13 1rrg s GLU 57 Ca 0.08 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 54.60 1rrg s GLU 57 Cb -0.11 -1.52 0.00 0.00 0.10 0.00 0.00 34.13 32.61 1rrg s GLU 57 CO 0.00 0.05 0.00 0.98 0.02 0.00 0.00 175.26 176.31 1rrg n TYR 58 N 3.77 0.00 0.00 1.61 9.36 0.70 -4.72 117.16 127.88 1rrg n TYR 58 Ca -0.22 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.00 1rrg n TYR 58 Cb 0.52 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.23 1rrg n TYR 58 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1rrg n LYS 59 N -0.71 0.00 -1.01 2.98 4.76 -1.26 -4.81 118.16 118.11 1rrg n LYS 59 Ca 0.00 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.35 1rrg n LYS 59 Cb 0.00 0.00 0.27 0.00 -1.84 0.00 0.00 35.03 33.46 1rrg n LYS 59 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 1rrg n ASN 60 N -0.27 4.54 -3.93 4.39 0.23 -1.26 -4.85 115.26 114.11 1rrg n ASN 60 Ca 0.00 -3.22 -0.26 0.00 -0.53 0.00 0.00 54.58 50.58 1rrg n ASN 60 Cb 0.00 -0.75 -0.17 0.00 -2.08 0.00 0.00 39.78 36.78 1rrg n ASN 60 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1rrg s ILE 61 N -2.90 0.98 -0.20 1.53 1.01 -1.26 -1.78 121.20 118.57 1rrg s ILE 61 Ca 0.53 -0.30 -0.02 0.00 0.00 0.00 0.00 60.65 60.86 1rrg s ILE 61 Cb 0.42 -0.98 -0.00 0.00 0.01 0.00 0.00 42.46 41.92 1rrg s ILE 61 CO 0.13 0.35 -0.09 -0.44 0.00 0.00 0.00 174.94 174.88 1rrg s SER 62 N 1.41 3.96 -0.48 3.58 0.01 -1.18 -0.22 113.70 120.78 1rrg s SER 62 Ca -0.01 -0.46 -0.18 0.00 1.31 0.00 0.00 55.95 56.61 1rrg s SER 62 Cb -0.13 -1.66 0.05 0.00 0.21 0.00 0.00 66.02 64.49 1rrg s SER 62 CO -0.04 0.00 0.54 -0.36 0.41 0.00 0.00 173.24 173.79 1rrg s PHE 63 N 1.33 3.11 -0.23 2.43 0.08 0.50 -1.24 117.98 123.96 1rrg s PHE 63 Ca 0.04 -0.54 -0.10 0.00 0.12 0.00 0.00 56.93 56.45 1rrg s PHE 63 Cb -0.14 -3.31 -0.05 0.00 -0.57 0.00 0.00 43.02 38.95 1rrg s PHE 63 CO -0.05 -0.91 0.14 0.99 -0.10 0.00 0.00 175.22 175.29 1rrg s THR 64 N 2.35 5.19 0.05 0.64 2.01 -0.37 -2.31 115.64 123.20 1rrg s THR 64 Ca 0.13 0.12 0.08 0.00 0.31 0.00 0.00 61.69 62.33 1rrg s THR 64 Cb -0.19 -3.41 -0.03 0.00 0.01 0.00 0.00 72.50 68.88 1rrg s THR 64 CO 0.12 0.36 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.49 1rrg s VAL 65 N 1.01 1.83 -0.10 3.82 1.01 -0.15 -1.12 120.40 126.68 1rrg s VAL 65 Ca 0.07 -1.28 -0.30 0.00 0.00 0.00 0.00 61.98 60.47 1rrg s VAL 65 Cb -0.13 -1.58 0.11 0.00 0.00 0.00 0.00 36.38 34.78 1rrg s VAL 65 CO 0.04 0.24 0.91 -1.66 0.00 0.00 0.00 175.10 174.63 1rrg s TRP 66 N -0.82 -0.42 0.31 5.22 -2.14 -1.21 -1.60 118.94 118.27 1rrg s TRP 66 Ca 0.09 0.64 -0.20 0.00 2.66 0.00 0.00 56.10 59.29 1rrg s TRP 66 Cb -0.09 0.46 -0.09 0.00 -3.10 0.00 0.00 33.47 30.65 1rrg s TRP 66 CO 0.02 -0.44 0.82 -0.51 -2.66 0.00 0.00 176.95 174.18 1rrg s ASP 67 N -1.42 7.04 0.22 -2.66 1.01 -1.26 -3.98 116.67 115.62 1rrg s ASP 67 Ca -0.02 1.53 0.00 0.00 0.71 0.00 0.00 52.55 54.78 1rrg s ASP 67 Cb -0.00 -2.47 0.00 0.00 1.01 0.00 0.00 42.92 41.46 1rrg s ASP 67 CO 0.01 -0.11 0.02 1.33 0.21 0.00 0.00 175.17 176.63 1rrg n VAL 68 N 0.20 0.00 -3.29 -1.27 0.24 -1.07 -4.94 118.33 108.20 1rrg n VAL 68 Ca 0.02 -1.00 -0.13 0.00 -2.04 0.00 0.00 64.34 61.19 1rrg n VAL 68 Cb 0.52 0.14 0.03 0.00 -1.47 0.00 0.00 33.84 33.06 1rrg n VAL 68 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rrg n GLY 69 N 2.41 -1.18 0.00 7.63 0.00 -1.26 -4.44 105.19 108.35 1rrg n GLY 69 Ca -0.08 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.46 1rrg n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rrg n GLY 70 N -1.56 0.78 1.06 -0.02 0.00 -1.26 -4.96 105.19 99.22 1rrg n GLY 70 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 1rrg n GLY 70 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1rrg n ILE 74 N 0.00 0.00 -3.61 -0.61 -0.00 -1.26 -5.28 119.36 108.61 1rrg n ILE 74 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 62.75 62.71 1rrg n ILE 74 Cb 0.04 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 39.65 1rrg n ILE 74 CO 0.00 0.00 0.00 -0.60 -0.00 0.00 0.00 176.55 175.95 1rrg s ARG 75 N -0.72 0.26 0.47 0.38 3.52 -1.26 -5.03 118.95 116.57 1rrg s ARG 75 Ca 0.10 -0.06 0.13 0.00 -0.13 0.00 0.00 55.73 55.76 1rrg s ARG 75 Cb 0.03 0.12 1.10 0.00 -1.56 0.00 0.00 34.95 34.64 1rrg s ARG 75 CO 0.18 -0.11 2.10 -1.35 -0.81 0.00 0.00 175.30 175.31 1rrg h PRO 76 N 2.05 0.18 0.00 5.12 0.11 -2.07 -2.90 132.00 134.49 1rrg h PRO 76 Ca -0.09 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.87 1rrg h PRO 76 Cb 1.16 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1rrg h PRO 76 CO 0.23 0.14 -0.64 1.25 -0.21 0.00 0.00 178.00 178.78 1rrg h LEU 77 N 0.18 0.00 -0.16 2.35 5.85 -2.01 -3.25 115.31 118.27 1rrg h LEU 77 Ca 0.05 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 1rrg h LEU 77 Cb 0.02 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 1rrg h LEU 77 CO -0.01 0.64 -0.20 -0.50 -0.34 0.00 0.00 178.44 178.03 1rrg h TRP 78 N 0.00 0.52 -0.83 1.25 4.06 -1.92 -2.92 115.95 116.11 1rrg h TRP 78 Ca -0.01 -0.16 0.24 0.00 2.06 0.00 0.00 58.89 61.02 1rrg h TRP 78 Cb 1.36 -0.11 -0.03 0.00 -1.00 0.00 0.00 29.16 29.38 1rrg h TRP 78 CO 0.00 0.83 0.61 0.00 -3.56 0.00 0.00 178.44 176.31 1rrg h ARG 79 N 0.06 0.00 -0.31 0.49 3.08 -1.57 0.79 114.38 116.92 1rrg h ARG 79 Ca 0.02 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.91 1rrg h ARG 79 Cb 0.75 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.80 1rrg h ARG 79 CO 0.05 0.00 -0.43 1.25 -1.07 0.00 0.00 179.97 179.77 1rrg h HIS 80 N 0.00 1.03 -0.42 3.04 -0.00 -1.58 -1.49 115.15 115.73 1rrg h HIS 80 Ca 0.39 -0.34 -0.12 0.00 -0.00 0.00 0.00 60.37 60.30 1rrg h HIS 80 Cb 1.60 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 28.80 1rrg h HIS 80 CO 0.00 1.15 -0.21 1.88 -0.00 0.00 0.00 177.93 180.75 1rrg h TYR 81 N 0.62 1.02 -0.74 5.26 0.05 0.19 -2.92 116.97 120.45 1rrg h TYR 81 Ca 0.03 -0.26 0.11 0.00 0.05 0.00 0.00 58.73 58.67 1rrg h TYR 81 Cb 1.03 -0.24 -0.05 0.00 1.01 0.00 0.00 36.73 38.48 1rrg h TYR 81 CO 0.07 1.04 0.49 0.74 -1.05 0.00 0.00 178.16 179.45 1rrg h PHE 82 N 0.71 0.62 0.00 4.88 0.04 0.51 -3.04 116.94 120.67 1rrg h PHE 82 Ca 0.09 0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.76 1rrg h PHE 82 Cb 0.77 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 38.68 1rrg h PHE 82 CO 0.06 0.27 -0.07 1.04 -0.60 0.00 0.00 178.31 179.01 1rrg n GLN 83 N -4.50 1.26 0.00 1.51 6.02 -0.58 -1.93 117.38 119.16 1rrg n GLN 83 Ca 0.13 -0.61 0.00 0.00 -0.01 0.00 0.00 57.00 56.51 1rrg n GLN 83 Cb 0.40 -1.79 0.00 0.00 1.02 0.00 0.00 30.24 29.87 1rrg n GLN 83 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1rrg n ASN 84 N 2.63 0.00 -4.62 1.08 4.05 -1.15 -5.04 115.26 112.21 1rrg n ASN 84 Ca 0.26 0.00 -0.43 0.00 0.45 0.00 0.00 54.58 54.86 1rrg n ASN 84 Cb 0.58 0.00 -0.02 0.00 1.23 0.00 0.00 39.78 41.57 1rrg n ASN 84 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1rrg s THR 85 N 0.00 4.26 -0.14 -0.44 2.01 -0.81 -3.06 115.64 117.45 1rrg s THR 85 Ca 0.00 1.40 -0.11 0.00 0.31 0.00 0.00 61.69 63.30 1rrg s THR 85 Cb 0.00 -4.36 -0.06 0.00 0.01 0.00 0.00 72.50 68.09 1rrg s THR 85 CO 0.00 -0.63 -0.03 1.56 -0.69 0.00 0.00 174.62 174.83 1rrg h GLN 86 N 8.97 0.00 -6.28 4.92 1.08 -1.68 -3.41 115.11 118.70 1rrg h GLN 86 Ca -0.23 0.00 -0.66 0.00 -1.45 0.00 0.00 58.65 56.31 1rrg h GLN 86 Cb 1.08 0.00 -0.13 0.00 -0.05 0.00 0.00 27.48 28.38 1rrg h GLN 86 CO 1.06 0.22 -0.66 0.20 -0.95 0.00 0.00 178.83 178.70 1rrg s GLY 87 N -4.21 1.90 -0.22 3.46 0.00 -1.23 -1.93 107.32 105.08 1rrg s GLY 87 Ca -0.15 -1.06 -0.01 0.00 0.00 0.00 0.00 44.72 43.51 1rrg s GLY 87 CO 0.26 -1.00 -0.01 -2.27 0.00 0.00 0.00 173.10 170.09 1rrg s LEU 88 N -2.03 2.04 -0.18 0.66 2.96 0.14 -1.02 118.68 121.25 1rrg s LEU 88 Ca 0.23 -1.07 -0.12 0.00 -0.22 0.00 0.00 54.13 52.95 1rrg s LEU 88 Cb -0.12 -0.94 -0.05 0.00 0.50 0.00 0.00 46.19 45.58 1rrg s LEU 88 CO 0.15 -0.27 0.23 -0.63 -1.32 0.00 0.00 176.35 174.51 1rrg s ILE 89 N 1.58 5.35 -0.25 6.68 1.01 0.39 -0.70 121.20 135.26 1rrg s ILE 89 Ca -0.03 0.40 0.02 0.00 0.00 0.00 0.00 60.65 61.04 1rrg s ILE 89 Cb -0.18 -3.57 0.06 0.00 0.01 0.00 0.00 42.46 38.79 1rrg s ILE 89 CO -0.08 0.40 -0.06 0.12 0.00 0.00 0.00 174.94 175.33 1rrg s PHE 90 N 0.47 2.80 -0.07 3.97 5.36 0.63 -1.15 117.98 129.99 1rrg s PHE 90 Ca 0.13 -2.06 -0.14 0.00 -0.96 0.00 0.00 56.93 53.89 1rrg s PHE 90 Cb -0.12 -1.82 -0.05 0.00 -0.34 0.00 0.00 43.02 40.69 1rrg s PHE 90 CO 0.02 -0.83 0.37 0.54 -1.46 0.00 0.00 175.22 173.86 1rrg s VAL 91 N 1.26 5.16 0.06 3.12 0.11 -0.76 -1.19 120.40 128.16 1rrg s VAL 91 Ca -0.05 0.74 0.08 0.00 -2.93 0.00 0.00 61.98 59.82 1rrg s VAL 91 Cb -0.19 -3.69 -0.03 0.00 -1.53 0.00 0.00 36.38 30.94 1rrg s VAL 91 CO -0.06 0.49 -0.21 -0.69 -3.33 0.00 0.00 175.10 171.30 1rrg s VAL 92 N -0.41 1.72 -0.64 2.04 1.01 -0.51 -4.46 120.40 119.15 1rrg s VAL 92 Ca 0.22 -1.32 -0.22 0.00 0.00 0.00 0.00 61.98 60.66 1rrg s VAL 92 Cb -0.15 -1.51 0.07 0.00 0.00 0.00 0.00 36.38 34.79 1rrg s VAL 92 CO 0.10 0.14 0.92 -0.62 0.00 0.00 0.00 175.10 175.63 1rrg s ASP 93 N -1.41 6.19 0.64 3.32 -1.08 -1.26 -1.54 116.67 121.52 1rrg s ASP 93 Ca 0.08 -0.99 0.36 0.00 -0.52 0.00 0.00 52.55 51.48 1rrg s ASP 93 Cb -0.09 -2.40 2.00 0.00 -1.46 0.00 0.00 42.92 40.97 1rrg s ASP 93 CO 0.03 -1.36 2.21 0.28 0.52 0.00 0.00 175.17 176.84 1rrg h SER 94 N 9.48 0.00 1.04 -0.34 0.02 -1.30 -0.94 113.55 121.51 1rrg h SER 94 Ca -0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1rrg h SER 94 Cb 1.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1rrg h SER 94 CO 1.16 0.00 -0.66 -1.13 -1.14 0.00 0.00 176.83 175.06 1rrg h ASN 95 N 0.00 0.00 -1.47 3.07 -0.00 -1.83 0.61 115.58 115.95 1rrg h ASN 95 Ca 0.02 -0.11 -0.74 0.00 -0.00 0.00 0.00 56.30 55.47 1rrg h ASN 95 Cb 0.24 0.00 -0.14 0.00 -0.00 0.00 0.00 38.32 38.41 1rrg h ASN 95 CO -0.00 0.06 1.92 -0.67 -0.00 0.00 0.00 177.43 178.74 1rrg n ASP 96 N -2.40 5.01 0.28 1.15 -0.08 -0.36 -4.78 116.55 115.37 1rrg n ASP 96 Ca 0.02 -3.03 0.12 0.00 -1.51 0.00 0.00 54.79 50.40 1rrg n ASP 96 Cb 0.48 -1.55 0.79 0.00 2.34 0.00 0.00 41.12 43.19 1rrg n ASP 96 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1rrg h ARG 97 N 6.37 0.00 0.74 -0.67 3.08 -1.80 -3.15 114.38 118.94 1rrg h ARG 97 Ca 0.39 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.40 1rrg h ARG 97 Cb 0.73 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.79 1rrg h ARG 97 CO 1.51 0.02 -0.35 1.49 -1.07 0.00 0.00 179.97 181.57 1rrg h GLU 98 N 0.00 -0.95 -0.49 0.04 4.81 -1.96 -3.23 114.58 112.80 1rrg h GLU 98 Ca -0.00 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1rrg h GLU 98 Cb 0.05 0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1rrg h GLU 98 CO 0.00 -0.61 0.00 0.54 -0.73 0.00 0.00 179.01 178.21 1rrg n ARG 99 N -5.47 1.90 0.22 1.92 1.74 -1.22 -4.03 116.66 111.72 1rrg n ARG 99 Ca -0.13 -1.00 0.07 0.00 -0.77 0.00 0.00 57.85 56.01 1rrg n ARG 99 Cb 0.41 -1.42 0.49 0.00 -1.02 0.00 0.00 32.46 30.92 1rrg n ARG 99 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 1rrg h VAL 100 N 1.48 0.91 0.00 1.55 -1.51 -1.56 -0.91 116.25 116.21 1rrg h VAL 100 Ca 0.00 -1.03 -0.13 0.00 -1.23 0.00 0.00 66.70 64.30 1rrg h VAL 100 Cb 0.60 1.61 -0.02 0.00 -2.13 0.00 0.00 31.29 31.35 1rrg h VAL 100 CO 0.07 0.27 -0.64 0.78 -1.23 0.00 0.00 177.57 176.81 1rrg h ASN 101 N 0.00 0.00 0.08 4.19 2.35 -1.81 -1.38 115.58 119.01 1rrg h ASN 101 Ca -0.00 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.48 1rrg h ASN 101 Cb 0.59 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.98 1rrg h ASN 101 CO 0.04 0.64 -1.11 -0.33 -1.65 0.00 0.00 177.43 175.02 1rrg h GLU 102 N 0.00 0.60 0.00 0.81 5.08 -1.65 -2.43 114.58 117.00 1rrg h GLU 102 Ca -0.01 -0.76 -0.03 0.00 -1.00 0.00 0.00 59.36 57.56 1rrg h GLU 102 Cb 1.24 0.24 -0.00 0.00 0.50 0.00 0.00 28.75 30.73 1rrg h GLU 102 CO 0.08 1.34 -0.15 0.00 -1.00 0.00 0.00 179.01 179.28 1rrg h ALA 103 N 0.30 1.09 0.21 3.43 0.00 -1.13 -1.99 119.26 121.16 1rrg h ALA 103 Ca -0.16 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1rrg h ALA 103 Cb 1.79 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1rrg h ALA 103 CO 0.21 0.19 -0.10 -0.09 0.00 0.00 0.00 179.25 179.47 1rrg h ARG 104 N 0.00 -0.27 -0.87 0.00 2.43 -1.06 -2.47 114.38 112.14 1rrg h ARG 104 Ca -0.00 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.22 1rrg h ARG 104 Cb 0.57 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.13 1rrg h ARG 104 CO 0.02 0.11 0.56 0.93 -1.51 0.00 0.00 179.97 180.09 1rrg h GLU 105 N -0.87 1.07 -0.47 0.20 4.39 -1.38 -1.05 114.58 116.47 1rrg h GLU 105 Ca -0.03 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 1rrg h GLU 105 Cb 0.51 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 1rrg h GLU 105 CO 0.05 0.71 0.16 0.93 -1.16 0.00 0.00 179.01 179.70 1rrg h GLU 106 N 1.11 0.68 0.53 2.33 4.39 -1.44 0.18 114.58 122.35 1rrg h GLU 106 Ca 0.34 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.91 1rrg h GLU 106 Cb -0.02 -0.12 0.01 0.00 -0.10 0.00 0.00 28.75 28.52 1rrg h GLU 106 CO -0.11 0.59 -0.25 1.25 -1.16 0.00 0.00 179.01 179.33 1rrg h LEU 107 N 0.67 -0.60 -1.00 1.33 6.46 -0.92 -2.14 115.31 119.11 1rrg h LEU 107 Ca 0.16 -0.04 0.15 0.00 -0.12 0.00 0.00 57.88 58.03 1rrg h LEU 107 Cb 0.18 0.15 -0.09 0.00 -0.73 0.00 0.00 40.66 40.17 1rrg h LEU 107 CO -0.01 -0.20 0.62 0.24 -0.62 0.00 0.00 178.44 178.47 1rrg h MET 108 N -1.09 0.88 -0.35 1.25 2.86 -1.03 0.70 114.93 118.14 1rrg h MET 108 Ca -0.07 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1rrg h MET 108 Cb 0.60 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 1rrg h MET 108 CO 0.12 0.58 0.20 -0.09 1.06 0.00 0.00 176.91 178.78 1rrg h ARG 109 N 0.90 0.48 -0.15 1.72 2.43 -0.68 -2.04 114.38 117.05 1rrg h ARG 109 Ca 0.53 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.59 1rrg h ARG 109 Cb 0.65 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1rrg h ARG 109 CO -0.31 0.39 -0.18 1.98 -1.51 0.00 0.00 179.97 180.34 1rrg h MET 110 N 0.44 0.25 0.00 0.20 4.05 -0.21 -1.94 114.93 117.72 1rrg h MET 110 Ca 0.12 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.48 1rrg h MET 110 Cb 0.04 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.81 1rrg h MET 110 CO -0.02 0.43 0.00 -0.07 0.23 0.00 0.00 176.91 177.48 1rrg h LEU 111 N 0.23 0.00 -1.28 3.39 3.38 -0.80 -3.16 115.31 117.07 1rrg h LEU 111 Ca 0.04 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1rrg h LEU 111 Cb 0.46 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1rrg h LEU 111 CO 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 178.44 178.55 1rrg h ALA 112 N 2.26 1.41 -2.62 1.53 0.00 -0.64 -3.43 119.26 117.76 1rrg h ALA 112 Ca 0.00 -0.19 -0.52 0.00 0.00 0.00 0.00 54.91 54.20 1rrg h ALA 112 Cb 0.84 -0.14 0.05 0.00 0.00 0.00 0.00 17.79 18.53 1rrg h ALA 112 CO 0.00 0.41 0.90 -1.21 0.00 0.00 0.00 179.25 179.36 1rrg s GLU 113 N -4.96 4.20 0.27 0.00 0.41 -1.20 -4.96 118.70 112.47 1rrg s GLU 113 Ca -0.07 2.41 -0.01 0.00 -0.41 0.00 0.00 54.97 56.89 1rrg s GLU 113 Cb 0.16 -3.14 0.46 0.00 -1.78 0.00 0.00 34.13 29.83 1rrg s GLU 113 CO 0.76 -0.63 1.87 -0.44 -0.49 0.00 0.00 175.26 176.33 1rrg h ASP 114 N 6.77 1.00 0.96 -0.19 5.19 -1.91 -1.73 116.42 126.51 1rrg h ASP 114 Ca -0.43 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 55.99 1rrg h ASP 114 Cb 1.20 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 40.52 1rrg h ASP 114 CO 0.92 0.61 -0.04 -0.33 -3.12 0.00 0.00 179.24 177.28 1rrg h GLU 115 N 1.12 0.00 -0.00 3.56 3.07 -1.93 -2.45 114.58 117.95 1rrg h GLU 115 Ca 0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.31 1rrg h GLU 115 Cb 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1rrg h GLU 115 CO -0.20 0.04 -0.24 -0.11 -1.40 0.00 0.00 179.01 177.10 1rrg n LEU 116 N -3.16 0.28 0.06 1.33 7.94 -0.67 -4.24 117.00 118.55 1rrg n LEU 116 Ca 0.00 0.22 0.20 0.00 -1.11 0.00 0.00 56.01 55.32 1rrg n LEU 116 Cb 0.32 -0.35 0.59 0.00 0.53 0.00 0.00 43.42 44.51 1rrg n LEU 116 CO 0.28 0.07 1.18 -0.09 -1.11 0.00 0.00 177.39 177.72 1rrg h ARG 117 N 0.07 0.00 -0.13 1.96 2.43 -1.26 0.21 114.38 117.66 1rrg h ARG 117 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1rrg h ARG 117 Cb 0.49 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 1rrg h ARG 117 CO 0.00 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.21 1rrg n ASP 118 N -3.31 2.71 -4.75 -3.80 8.00 -1.26 -5.01 116.55 109.13 1rrg n ASP 118 Ca 0.10 -2.53 -0.40 0.00 0.71 0.00 0.00 54.79 52.67 1rrg n ASP 118 Cb 0.90 -0.29 -0.05 0.00 -0.02 0.00 0.00 41.12 41.66 1rrg n ASP 118 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rrg s ALA 119 N -1.93 3.32 -0.13 2.24 0.00 0.75 -4.96 121.76 121.05 1rrg s ALA 119 Ca 0.23 0.64 -0.25 0.00 0.00 0.00 0.00 51.96 52.58 1rrg s ALA 119 Cb 0.18 -3.24 -0.02 0.00 0.00 0.00 0.00 23.12 20.04 1rrg s ALA 119 CO 0.06 0.11 0.81 0.08 0.00 0.00 0.00 175.76 176.82 1rrg s VAL 120 N -0.87 4.92 -0.22 0.00 1.01 -0.81 -4.69 120.40 119.74 1rrg s VAL 120 Ca 0.43 1.61 -0.15 0.00 0.00 0.00 0.00 61.98 63.88 1rrg s VAL 120 Cb -0.26 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 1rrg s VAL 120 CO 0.32 0.09 0.34 -0.22 0.00 0.00 0.00 175.10 175.64 1rrg s LEU 121 N 1.74 4.13 -0.11 3.92 0.20 -1.07 -0.68 118.68 126.81 1rrg s LEU 121 Ca 0.39 0.40 0.02 0.00 0.69 0.00 0.00 54.13 55.63 1rrg s LEU 121 Cb -0.17 -2.42 -0.01 0.00 -0.43 0.00 0.00 46.19 43.16 1rrg s LEU 121 CO 0.15 -0.06 -0.18 -0.22 -0.29 0.00 0.00 176.35 175.74 1rrg s LEU 122 N 1.36 2.41 -0.20 -0.68 2.96 0.13 -1.94 118.68 122.72 1rrg s LEU 122 Ca 0.16 -0.43 -0.03 0.00 -0.22 0.00 0.00 54.13 53.61 1rrg s LEU 122 Cb -0.15 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.02 1rrg s LEU 122 CO 0.07 0.17 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.53 1rrg s VAL 123 N 0.28 3.33 -0.34 1.68 1.01 0.10 -0.27 120.40 126.19 1rrg s VAL 123 Ca -0.13 -0.52 -0.15 0.00 0.00 0.00 0.00 61.98 61.18 1rrg s VAL 123 Cb -0.17 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 1rrg s VAL 123 CO 0.07 0.44 0.33 -0.36 0.00 0.00 0.00 175.10 175.58 1rrg s PHE 124 N 1.26 3.22 -0.88 5.22 0.08 -0.33 0.18 117.98 126.72 1rrg s PHE 124 Ca 0.03 -0.07 -0.17 0.00 0.12 0.00 0.00 56.93 56.84 1rrg s PHE 124 Cb -0.14 -2.62 0.15 0.00 -0.57 0.00 0.00 43.02 39.84 1rrg s PHE 124 CO -0.02 -0.41 1.00 0.00 -0.10 0.00 0.00 175.22 175.69 1rrg s ALA 125 N 1.94 3.57 0.78 5.36 0.00 0.97 -1.42 121.76 132.97 1rrg s ALA 125 Ca 0.10 -2.89 -0.10 0.00 0.00 0.00 0.00 51.96 49.07 1rrg s ALA 125 Cb -0.17 -3.87 0.08 0.00 0.00 0.00 0.00 23.12 19.17 1rrg s ALA 125 CO 0.11 -2.75 1.13 1.21 0.00 0.00 0.00 175.76 175.46 1rrg s ASN 126 N 3.20 4.49 -1.57 0.00 2.47 -0.59 -0.53 114.94 122.41 1rrg s ASN 126 Ca 0.27 0.58 0.00 0.00 0.42 0.00 0.00 52.86 54.14 1rrg s ASN 126 Cb -0.07 -1.09 0.00 0.00 -1.45 0.00 0.00 41.25 38.64 1rrg s ASN 126 CO -0.08 -1.86 0.00 0.29 -3.72 0.00 0.00 177.10 171.72 1rrg n LYS 127 N -3.20 -1.43 0.18 0.43 5.02 -1.13 -0.85 118.16 117.19 1rrg n LYS 127 Ca 0.09 0.89 0.13 0.00 -2.02 0.00 0.00 58.31 57.40 1rrg n LYS 127 Cb 0.61 -5.38 0.64 0.00 -0.02 0.00 0.00 35.03 30.88 1rrg n LYS 127 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1rrg h GLN 128 N 0.00 0.00 0.00 1.97 5.75 -1.56 -1.98 115.11 119.29 1rrg h GLN 128 Ca -0.42 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.08 1rrg h GLN 128 Cb 1.31 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.86 1rrg h GLN 128 CO 0.51 0.00 0.00 -0.40 -2.65 0.00 0.00 178.83 176.29 1rrg n ASP 129 N -2.37 0.00 -4.78 -0.69 5.75 -1.26 -4.76 116.55 108.44 1rrg n ASP 129 Ca -0.01 0.44 -0.38 0.00 -0.01 0.00 0.00 54.79 54.83 1rrg n ASP 129 Cb 0.09 -0.48 -0.06 0.00 -1.03 0.00 0.00 41.12 39.64 1rrg n ASP 129 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1rrg s LEU 130 N -2.95 4.42 0.29 -2.12 1.43 -0.75 -4.99 118.68 114.00 1rrg s LEU 130 Ca 0.13 1.05 -0.00 0.00 -1.03 0.00 0.00 54.13 54.28 1rrg s LEU 130 Cb 0.16 -2.78 0.67 0.00 0.03 0.00 0.00 46.19 44.27 1rrg s LEU 130 CO 0.44 0.16 1.60 -0.65 0.23 0.00 0.00 176.35 178.13 1rrg h PRO 131 N 5.49 0.07 -0.01 1.29 0.11 -1.89 0.63 132.00 137.69 1rrg h PRO 131 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1rrg h PRO 131 Cb 1.20 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1rrg h PRO 131 CO 0.68 0.05 -0.17 0.09 -0.21 0.00 0.00 178.00 178.44 1rrg n ASN 132 N -5.39 0.71 -4.69 -2.05 3.02 -1.26 -4.93 115.26 100.67 1rrg n ASN 132 Ca 0.21 -0.71 -0.51 0.00 -0.03 0.00 0.00 54.58 53.54 1rrg n ASN 132 Cb 0.68 0.01 -0.05 0.00 -0.61 0.00 0.00 39.78 39.81 1rrg n ASN 132 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rrg n ALA 133 N -0.82 0.58 -1.67 5.41 0.00 0.21 -4.73 120.51 119.49 1rrg n ALA 133 Ca 0.13 0.30 -0.37 0.00 0.00 0.00 0.00 53.44 53.51 1rrg n ALA 133 Cb 0.31 -2.43 0.07 0.00 0.00 0.00 0.00 19.45 17.41 1rrg n ALA 133 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1rrg s MET 134 N 4.01 2.48 0.40 0.00 1.00 0.20 -4.90 119.30 122.50 1rrg s MET 134 Ca 0.95 2.02 0.06 0.00 0.00 0.00 0.00 55.69 58.72 1rrg s MET 134 Cb -0.80 -1.84 0.00 0.00 0.00 0.00 0.00 34.83 32.19 1rrg s MET 134 CO 0.56 -1.64 0.56 0.54 0.00 0.00 0.00 175.02 175.04 1rrg s ASN 135 N -1.49 5.77 0.38 3.03 2.20 -1.26 -4.83 114.94 118.74 1rrg s ASN 135 Ca 0.81 -0.19 0.18 0.00 -0.94 0.00 0.00 52.86 52.73 1rrg s ASN 135 Cb -0.36 -1.03 1.13 0.00 -2.00 0.00 0.00 41.25 38.98 1rrg s ASN 135 CO 0.40 -0.66 1.72 0.00 -2.94 0.00 0.00 177.10 175.62 1rrg h ALA 136 N 0.65 2.20 -0.23 3.54 0.00 -1.94 0.33 119.26 123.80 1rrg h ALA 136 Ca -0.43 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1rrg h ALA 136 Cb 1.27 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1rrg h ALA 136 CO 0.51 -0.70 0.12 0.00 0.00 0.00 0.00 179.25 179.18 1rrg h ALA 137 N 1.68 0.30 -0.03 0.00 0.00 -1.99 0.20 119.26 119.42 1rrg h ALA 137 Ca 0.67 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 55.33 1rrg h ALA 137 Cb 1.69 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1rrg h ALA 137 CO -0.41 -0.16 -0.75 1.49 0.00 0.00 0.00 179.25 179.43 1rrg h GLU 138 N 0.25 0.21 -0.32 0.00 4.81 -0.83 -3.18 114.58 115.53 1rrg h GLU 138 Ca 0.08 -0.19 -0.05 0.00 -0.13 0.00 0.00 59.36 59.07 1rrg h GLU 138 Cb 0.09 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1rrg h GLU 138 CO -0.01 0.86 0.00 0.82 -0.73 0.00 0.00 179.01 179.95 1rrg h ILE 139 N 0.14 1.26 -0.22 2.32 1.08 -0.72 -0.69 117.51 120.68 1rrg h ILE 139 Ca -0.03 -0.95 0.06 0.00 -0.39 0.00 0.00 64.86 63.56 1rrg h ILE 139 Cb 1.32 1.25 -0.01 0.00 -3.07 0.00 0.00 36.82 36.31 1rrg h ILE 139 CO 0.11 0.31 0.24 0.74 -0.69 0.00 0.00 178.15 178.86 1rrg h THR 140 N 0.36 0.47 0.00 -0.27 2.02 -0.61 -1.48 112.91 113.40 1rrg h THR 140 Ca 0.09 0.00 -0.22 0.00 0.77 0.00 0.00 66.41 67.05 1rrg h THR 140 Cb 0.44 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 1rrg h THR 140 CO 0.02 0.00 -1.28 0.47 0.37 0.00 0.00 175.52 175.09 1rrg n ASP 141 N -3.81 1.86 0.30 4.18 8.00 -0.99 -1.70 116.55 124.39 1rrg n ASP 141 Ca 0.02 0.45 0.16 0.00 0.71 0.00 0.00 54.79 56.13 1rrg n ASP 141 Cb 0.37 -0.93 0.84 0.00 -0.02 0.00 0.00 41.12 41.38 1rrg n ASP 141 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1rrg h LYS 142 N -1.00 0.00 -0.01 -1.24 1.79 -0.85 0.44 116.57 115.70 1rrg h LYS 142 Ca -0.33 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 1rrg h LYS 142 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 1rrg h LYS 142 CO -0.20 0.00 -0.28 1.28 -1.08 0.00 0.00 179.45 179.17 1rrg n LEU 143 N -2.76 1.59 -3.75 2.94 4.77 -0.58 -4.77 117.00 114.44 1rrg n LEU 143 Ca -0.02 -0.78 -0.27 0.00 -0.03 0.00 0.00 56.01 54.91 1rrg n LEU 143 Cb 0.26 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.40 1rrg n LEU 143 CO 0.14 0.31 0.18 0.61 -1.33 0.00 0.00 177.39 177.29 1rrg n GLY 144 N 1.08 -0.52 0.27 -0.72 0.00 0.15 -4.86 105.19 100.59 1rrg n GLY 144 Ca 0.06 0.22 0.09 0.00 0.00 0.00 0.00 46.02 46.40 1rrg n GLY 144 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rrg h LEU 145 N -2.39 0.00 -1.42 0.99 3.38 -1.58 -1.18 115.31 113.11 1rrg h LEU 145 Ca -0.58 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.39 1rrg h LEU 145 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1rrg h LEU 145 CO 0.61 0.00 0.00 0.45 0.09 0.00 0.00 178.44 179.59 1rrg h HIS 146 N 0.00 0.00 0.00 1.13 3.86 -1.89 -1.74 115.15 116.51 1rrg h HIS 146 Ca 0.01 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 1rrg h HIS 146 Cb 0.04 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.50 1rrg h HIS 146 CO 0.00 0.00 -0.15 0.66 0.86 0.00 0.00 177.93 179.30 1rrg h SER 147 N 0.00 0.00 -0.54 2.45 4.64 -1.58 -3.39 113.55 115.13 1rrg h SER 147 Ca 0.00 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.91 1rrg h SER 147 Cb 0.28 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.33 1rrg h SER 147 CO 0.00 0.15 1.34 0.18 -0.87 0.00 0.00 176.83 177.62 1rrg n LEU 148 N -3.26 3.50 -0.22 5.97 4.77 -0.66 -4.67 117.00 122.43 1rrg n LEU 148 Ca 0.01 -3.34 0.11 0.00 -0.03 0.00 0.00 56.01 52.75 1rrg n LEU 148 Cb 0.42 -1.74 0.54 0.00 -2.33 0.00 0.00 43.42 40.31 1rrg n LEU 148 CO 0.32 -1.38 0.86 -2.11 -1.33 0.00 0.00 177.39 173.75 1rrg n ARG 149 N 8.28 1.29 0.00 3.23 -4.01 -1.26 -3.90 116.66 120.29 1rrg n ARG 149 Ca 0.46 -0.44 0.00 0.00 -1.04 0.00 0.00 57.85 56.83 1rrg n ARG 149 Cb 0.46 -1.37 0.00 0.00 -3.04 0.00 0.00 32.46 28.52 1rrg n ARG 149 CO 0.00 0.00 0.00 1.58 -3.04 0.00 0.00 177.63 176.17 1rrg n HIS 150 N -0.37 0.00 -4.12 2.89 -0.00 -1.26 -5.10 115.22 107.26 1rrg n HIS 150 Ca 0.16 -0.12 -0.08 0.00 0.46 0.00 0.00 57.72 58.14 1rrg n HIS 150 Cb 0.18 -0.01 -0.10 0.00 -0.12 0.00 0.00 29.99 29.94 1rrg n HIS 150 CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 1rrg s ARG 151 N -0.23 0.71 0.29 1.57 1.70 -1.25 -5.09 118.95 116.64 1rrg s ARG 151 Ca 0.00 -1.27 -0.29 0.00 -0.47 0.00 0.00 55.73 53.70 1rrg s ARG 151 Cb 0.00 0.07 -0.09 0.00 -0.57 0.00 0.00 34.95 34.35 1rrg s ARG 151 CO 0.00 -0.09 1.05 1.21 -1.08 0.00 0.00 175.30 176.39 1rrg s ASN 152 N -2.97 7.30 -0.10 -2.89 3.84 -1.26 -5.00 114.94 113.86 1rrg s ASN 152 Ca 0.10 2.14 -0.30 0.00 0.21 0.00 0.00 52.86 55.01 1rrg s ASN 152 Cb 0.07 -2.62 0.10 0.00 -0.55 0.00 0.00 41.25 38.26 1rrg s ASN 152 CO -0.07 -0.11 0.85 -1.66 -2.79 0.00 0.00 177.10 173.31 1rrg s TRP 153 N -1.25 -0.49 -0.16 0.43 1.48 -1.26 -2.58 118.94 115.11 1rrg s TRP 153 Ca 0.46 0.80 -0.14 0.00 -1.06 0.00 0.00 56.10 56.15 1rrg s TRP 153 Cb -0.29 0.44 0.04 0.00 -1.16 0.00 0.00 33.47 32.51 1rrg s TRP 153 CO 0.36 -0.48 0.42 -0.47 -4.06 0.00 0.00 176.95 172.73 1rrg s TYR 154 N -1.34 -0.49 -0.14 1.66 5.04 -0.82 -5.01 117.35 116.26 1rrg s TYR 154 Ca -0.05 1.16 -0.00 0.00 -2.44 0.00 0.00 57.07 55.74 1rrg s TYR 154 Cb -0.00 0.17 -0.01 0.00 0.35 0.00 0.00 41.96 42.47 1rrg s TYR 154 CO 0.04 -0.24 -0.13 -1.50 -1.34 0.00 0.00 175.55 172.38 1rrg s ILE 155 N 0.38 3.06 -0.09 3.14 2.07 -1.26 0.00 121.20 128.50 1rrg s ILE 155 Ca -0.01 -0.65 0.02 0.00 -1.41 0.00 0.00 60.65 58.60 1rrg s ILE 155 Cb -0.04 -2.29 0.01 0.00 0.13 0.00 0.00 42.46 40.27 1rrg s ILE 155 CO -0.01 0.52 -0.16 -1.58 -1.91 0.00 0.00 174.94 171.80 1rrg s GLN 156 N 0.44 2.18 -0.06 3.50 2.00 0.13 -4.94 119.66 122.90 1rrg s GLN 156 Ca -0.09 -0.56 -0.27 0.00 -2.00 0.00 0.00 55.36 52.43 1rrg s GLN 156 Cb -0.16 -1.78 -0.03 0.00 0.80 0.00 0.00 33.01 31.85 1rrg s GLN 156 CO 0.05 0.02 0.88 0.00 -0.50 0.00 0.00 175.29 175.74 1rrg s ALA 157 N 0.73 3.30 0.31 1.58 0.00 -1.26 -0.02 121.76 126.41 1rrg s ALA 157 Ca -0.12 0.32 0.03 0.00 0.00 0.00 0.00 51.96 52.19 1rrg s ALA 157 Cb -0.16 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 1rrg s ALA 157 CO 0.03 -0.32 0.14 0.95 0.00 0.00 0.00 175.76 176.56 1rrg s THR 158 N 1.29 0.47 -0.30 0.00 -4.23 0.31 -4.37 115.64 108.80 1rrg s THR 158 Ca 0.45 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.96 1rrg s THR 158 Cb -0.19 -2.53 0.14 0.00 1.34 0.00 0.00 72.50 71.25 1rrg s THR 158 CO 0.21 0.00 0.29 0.00 -0.54 0.00 0.00 174.62 174.59 1rrg h ALA 160 N 8.16 0.84 -0.10 0.00 0.00 -1.91 0.24 119.26 126.49 1rrg h ALA 160 Ca -0.12 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1rrg h ALA 160 Cb 1.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1rrg h ALA 160 CO 0.33 0.00 -0.08 1.79 0.00 0.00 0.00 179.25 181.29 1rrg h THR 161 N 0.63 1.12 0.00 0.00 1.35 -1.96 -2.69 112.91 111.35 1rrg h THR 161 Ca 0.29 -0.52 -0.04 0.00 -0.55 0.00 0.00 66.41 65.58 1rrg h THR 161 Cb 0.19 1.14 -0.01 0.00 -1.73 0.00 0.00 68.15 67.74 1rrg h THR 161 CO -0.19 0.16 -2.04 -1.54 -0.25 0.00 0.00 175.52 171.67 1rrg n SER 162 N -4.36 0.05 0.00 5.36 3.41 -1.18 -5.00 113.62 111.90 1rrg n SER 162 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1rrg n SER 162 Cb 0.21 1.87 0.00 0.00 -0.26 0.00 0.00 64.21 66.03 1rrg n SER 162 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rrg n GLY 163 N 1.33 0.70 3.69 5.00 0.00 0.78 -5.03 105.19 111.67 1rrg n GLY 163 Ca -0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.51 1rrg n GLY 163 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1rrg n ASP 164 N 0.00 3.59 0.00 1.61 8.00 -0.79 -2.17 116.55 126.79 1rrg n ASP 164 Ca 0.00 1.06 0.00 0.00 0.71 0.00 0.00 54.79 56.56 1rrg n ASP 164 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 41.12 39.60 1rrg n ASP 164 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rrg n GLY 165 N 3.77 2.72 0.16 0.44 0.00 -1.26 -1.55 105.19 109.47 1rrg n GLY 165 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 1rrg n GLY 165 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1rrg h LEU 166 N 0.00 -0.32 -0.60 0.99 3.38 -1.74 -2.69 115.31 114.32 1rrg h LEU 166 Ca 0.00 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1rrg h LEU 166 Cb 0.00 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 1rrg h LEU 166 CO 0.00 -0.17 0.34 0.22 0.09 0.00 0.00 178.44 178.92 1rrg h TYR 167 N -0.21 0.63 0.63 1.13 5.03 -1.92 -0.73 116.97 121.54 1rrg h TYR 167 Ca 0.03 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 61.34 1rrg h TYR 167 Cb 0.25 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 38.32 1rrg h TYR 167 CO -0.16 0.33 -0.46 0.93 -1.32 0.00 0.00 178.16 177.48 1rrg h GLU 168 N 0.66 -1.01 -1.00 1.82 3.07 -1.93 1.00 114.58 117.19 1rrg h GLU 168 Ca 0.26 0.07 0.04 0.00 -0.50 0.00 0.00 59.36 59.22 1rrg h GLU 168 Cb 0.10 0.23 -0.06 0.00 -0.84 0.00 0.00 28.75 28.18 1rrg h GLU 168 CO -0.14 -0.67 0.65 0.78 -1.40 0.00 0.00 179.01 178.23 1rrg h GLY 169 N -1.05 1.47 2.00 -3.84 0.00 -1.44 -1.89 103.07 98.33 1rrg h GLY 169 Ca -0.08 -0.50 0.00 0.00 0.00 0.00 0.00 47.33 46.75 1rrg h GLY 169 CO 0.04 0.42 0.00 1.41 0.00 0.00 0.00 176.54 178.40 1rrg h LEU 170 N 1.26 0.00 -0.11 3.11 3.38 -0.89 -2.86 115.31 119.20 1rrg h LEU 170 Ca 0.40 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.13 1rrg h LEU 170 Cb 0.02 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.78 1rrg h LEU 170 CO -0.13 0.00 -0.98 -0.78 0.09 0.00 0.00 178.44 176.64 1rrg h ASP 171 N 0.00 0.67 0.62 -0.43 3.58 0.18 -2.90 116.42 118.15 1rrg h ASP 171 Ca 0.00 -0.54 -0.03 0.00 0.42 0.00 0.00 57.03 56.88 1rrg h ASP 171 Cb 0.80 -0.21 0.01 0.00 1.72 0.00 0.00 39.33 41.65 1rrg h ASP 171 CO 0.00 1.34 -0.30 -0.25 -2.88 0.00 0.00 179.24 177.15 1rrg h TRP 172 N 0.29 -0.78 -0.67 0.28 7.01 -1.32 -2.90 115.95 117.86 1rrg h TRP 172 Ca -0.10 -0.02 0.14 0.00 2.11 0.00 0.00 58.89 61.02 1rrg h TRP 172 Cb 1.63 0.26 -0.10 0.00 -2.10 0.00 0.00 29.16 28.84 1rrg h TRP 172 CO 0.08 -0.47 0.11 1.25 -2.79 0.00 0.00 178.44 176.62 1rrg h LEU 173 N -0.87 -0.08 -0.51 0.65 7.12 -1.59 -1.19 115.31 118.83 1rrg h LEU 173 Ca -0.09 0.14 0.09 0.00 0.13 0.00 0.00 57.88 58.15 1rrg h LEU 173 Cb 0.66 0.21 -0.07 0.00 -0.53 0.00 0.00 40.66 40.93 1rrg h LEU 173 CO 0.14 -0.05 0.11 0.28 -0.13 0.00 0.00 178.44 178.79 1rrg h SER 174 N 0.22 0.03 -0.18 1.25 0.02 -1.41 -0.70 113.55 112.79 1rrg h SER 174 Ca 0.37 0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.41 1rrg h SER 174 Cb 0.60 0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 1rrg h SER 174 CO -0.49 0.04 0.09 0.78 -1.14 0.00 0.00 176.83 176.11 1rrg h ASN 175 N 0.25 0.14 -0.85 3.07 4.21 -1.03 0.65 115.58 122.03 1rrg h ASN 175 Ca 0.26 0.01 0.13 0.00 1.21 0.00 0.00 56.30 57.90 1rrg h ASN 175 Cb 0.34 -0.02 -0.06 0.00 -1.12 0.00 0.00 38.32 37.45 1rrg h ASN 175 CO -0.32 0.11 0.55 1.56 -1.29 0.00 0.00 177.43 178.03 1rrg h GLN 176 N 0.19 0.67 0.02 0.81 1.08 -0.87 0.20 115.11 117.21 1rrg h GLN 176 Ca 0.07 -0.04 -0.25 0.00 -1.45 0.00 0.00 58.65 56.98 1rrg h GLN 176 Cb 0.01 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.26 1rrg h GLN 176 CO -0.05 0.44 -1.27 -0.07 -0.95 0.00 0.00 178.83 176.94 1rrg h LEU 177 N 0.69 0.07 -2.42 1.46 4.07 -0.47 -3.28 115.31 115.43 1rrg h LEU 177 Ca 0.41 -0.09 -0.01 0.00 0.08 0.00 0.00 57.88 58.28 1rrg h LEU 177 Cb 0.63 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.35 1rrg h LEU 177 CO -0.18 1.07 -0.03 -0.09 -1.08 0.00 0.00 178.44 178.14 1rrg h ARG 178 N 0.01 0.00 -1.62 1.13 2.43 0.24 -2.69 114.38 113.88 1rrg h ARG 178 Ca -0.12 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.57 1rrg h ARG 178 Cb 1.88 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 31.02 1rrg h ARG 178 CO 0.12 0.03 -1.01 0.27 -1.51 0.00 0.00 179.97 177.88 1rrg n ASN 179 N -3.57 2.47 0.00 -3.80 6.94 -1.07 -4.96 115.26 111.27 1rrg n ASN 179 Ca -0.03 -3.18 0.00 0.00 -0.02 0.00 0.00 54.58 51.36 1rrg n ASN 179 Cb 0.13 -0.55 0.00 0.00 -2.36 0.00 0.00 39.78 37.00 1rrg n ASN 179 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1rrg n GLN 180 N -0.08 0.00 0.00 -3.83 1.13 -1.02 -4.99 117.38 108.59 1rrg n GLN 180 Ca 0.24 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.30 1rrg n GLN 180 Cb 0.67 -0.22 0.00 0.00 0.11 0.00 0.00 30.24 30.80 1rrg n GLN 180 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25