#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i7s s ASP 3 N 0.00 5.02 -0.13 0.00 -0.00 -0.23 -2.38 116.67 118.95 1i7s s ASP 3 Ca 0.00 -0.81 -0.05 0.00 -0.00 0.00 0.00 52.55 51.69 1i7s s ASP 3 Cb 0.00 -1.84 -0.04 0.00 -0.00 0.00 0.00 42.92 41.04 1i7s s ASP 3 CO 0.00 -0.20 0.04 -0.63 -0.00 0.00 0.00 175.17 174.38 1i7s s ILE 4 N 1.45 4.61 -0.28 0.77 1.01 0.96 -0.60 121.20 129.12 1i7s s ILE 4 Ca 0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 60.65 60.50 1i7s s ILE 4 Cb -0.17 -3.01 0.02 0.00 0.01 0.00 0.00 42.46 39.30 1i7s s ILE 4 CO 0.01 0.54 0.03 -0.22 0.00 0.00 0.00 174.94 175.30 1i7s s LEU 5 N -0.28 3.59 -0.43 2.97 1.98 -0.13 -1.95 118.68 124.43 1i7s s LEU 5 Ca 0.07 -0.77 -0.15 0.00 -2.89 0.00 0.00 54.13 50.39 1i7s s LEU 5 Cb -0.12 -1.80 0.04 0.00 0.66 0.00 0.00 46.19 44.97 1i7s s LEU 5 CO 0.02 -0.17 0.33 -0.22 -1.89 0.00 0.00 176.35 174.42 1i7s s LEU 6 N 1.43 5.26 -0.50 -0.68 2.96 -0.38 -0.47 118.68 126.30 1i7s s LEU 6 Ca 0.02 -1.03 -0.29 0.00 -0.22 0.00 0.00 54.13 52.61 1i7s s LEU 6 Cb -0.17 -2.17 0.02 0.00 0.50 0.00 0.00 46.19 44.38 1i7s s LEU 6 CO -0.00 -0.51 1.24 -0.22 -1.32 0.00 0.00 176.35 175.54 1i7s s LEU 7 N 1.67 3.54 -0.64 -0.68 1.98 0.30 -2.48 118.68 122.37 1i7s s LEU 7 Ca 0.05 0.41 -0.26 0.00 -2.89 0.00 0.00 54.13 51.44 1i7s s LEU 7 Cb -0.21 -3.38 0.04 0.00 0.66 0.00 0.00 46.19 43.30 1i7s s LEU 7 CO 0.09 -1.41 1.11 -0.62 -1.89 0.00 0.00 176.35 173.63 1i7s s ASP 8 N 3.15 6.28 -0.10 3.68 3.68 0.28 -1.87 116.67 131.76 1i7s s ASP 8 Ca 0.50 -0.39 -0.01 0.00 2.13 0.00 0.00 52.55 54.78 1i7s s ASP 8 Cb -0.09 -2.50 0.05 0.00 -1.45 0.00 0.00 42.92 38.93 1i7s s ASP 8 CO 0.29 -1.52 2.10 0.59 0.13 0.00 0.00 175.17 176.76 1i7s n ASN 9 N 8.34 5.68 -3.54 -0.34 3.02 -1.26 -1.28 115.26 125.89 1i7s n ASN 9 Ca 0.03 -2.61 -0.19 0.00 -0.03 0.00 0.00 54.58 51.77 1i7s n ASN 9 Cb 0.48 -1.13 0.01 0.00 -0.61 0.00 0.00 39.78 38.54 1i7s n ASN 9 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1i7s n VAL 10 N 1.22 -6.21 -4.39 2.41 0.31 -1.26 -4.26 118.33 106.14 1i7s n VAL 10 Ca 0.11 -0.37 -0.24 0.00 -0.01 0.00 0.00 64.34 63.83 1i7s n VAL 10 Cb 0.54 -4.59 -0.09 0.00 -0.91 0.00 0.00 33.84 28.79 1i7s n VAL 10 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1i7s s ASP 11 N -3.14 4.03 -0.35 4.52 2.15 -1.26 -4.54 116.67 118.08 1i7s s ASP 11 Ca 0.15 -0.95 0.08 0.00 0.43 0.00 0.00 52.55 52.26 1i7s s ASP 11 Cb -0.05 -0.51 0.68 0.00 -0.30 0.00 0.00 42.92 42.73 1i7s s ASP 11 CO 0.84 -0.10 1.77 -1.20 -0.17 0.00 0.00 175.17 176.31 1i7s n SER 12 N -0.82 4.13 0.00 -0.34 7.64 -1.26 -4.11 113.62 118.86 1i7s n SER 12 Ca -0.05 -3.40 0.00 0.00 1.01 0.00 0.00 58.87 56.43 1i7s n SER 12 Cb 0.61 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 1i7s n SER 12 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1i7s n PHE 13 N -0.61 0.00 -0.04 1.43 0.99 -1.26 -4.90 117.46 113.07 1i7s n PHE 13 Ca 0.44 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.81 1i7s n PHE 13 Cb 1.39 0.00 -0.02 0.00 -1.00 0.00 0.00 39.48 39.85 1i7s n PHE 13 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 1i7s h THR 14 N 0.79 0.54 0.00 4.37 2.02 -1.93 -1.33 112.91 117.37 1i7s h THR 14 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1i7s h THR 14 Cb 0.39 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1i7s h THR 14 CO 0.00 0.00 0.00 1.88 0.37 0.00 0.00 175.52 177.77 1i7s h TYR 15 N -0.17 0.00 -0.18 3.16 0.05 -1.90 -1.33 116.97 116.60 1i7s h TYR 15 Ca 0.12 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.78 1i7s h TYR 15 Cb 0.35 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.08 1i7s h TYR 15 CO -0.32 0.00 -0.41 -0.91 -1.05 0.00 0.00 178.16 175.47 1i7s h ASN 16 N 0.00 0.44 -0.23 3.88 2.35 -1.59 0.21 115.58 120.64 1i7s h ASN 16 Ca 0.00 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.54 1i7s h ASN 16 Cb 0.16 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 1i7s h ASN 16 CO 0.00 0.80 0.06 -0.07 -1.65 0.00 0.00 177.43 176.58 1i7s h LEU 17 N 0.34 0.34 -0.49 1.61 3.38 -1.27 -2.92 115.31 116.30 1i7s h LEU 17 Ca 0.03 -0.22 0.09 0.00 0.09 0.00 0.00 57.88 57.88 1i7s h LEU 17 Cb 0.87 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.46 1i7s h LEU 17 CO 0.07 0.46 0.04 0.58 0.09 0.00 0.00 178.44 179.69 1i7s h VAL 18 N 0.19 0.66 -0.41 1.22 2.07 -0.82 -1.42 116.25 117.75 1i7s h VAL 18 Ca 0.07 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 1i7s h VAL 18 Cb 0.25 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1i7s h VAL 18 CO -0.00 0.03 0.18 -0.78 0.02 0.00 0.00 177.57 177.02 1i7s h ASP 19 N 0.16 0.55 0.49 0.57 1.82 -0.50 -1.00 116.42 118.52 1i7s h ASP 19 Ca 0.25 -0.15 -0.11 0.00 -0.39 0.00 0.00 57.03 56.63 1i7s h ASP 19 Cb 0.36 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 40.21 1i7s h ASP 19 CO -0.37 0.55 -0.51 0.06 -1.61 0.00 0.00 179.24 177.36 1i7s h GLN 20 N 0.52 0.02 -0.27 0.28 3.07 -1.28 -2.16 115.11 115.29 1i7s h GLN 20 Ca 0.14 -0.01 -0.03 0.00 0.09 0.00 0.00 58.65 58.83 1i7s h GLN 20 Cb 0.16 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.71 1i7s h GLN 20 CO -0.01 0.53 0.04 -0.07 0.09 0.00 0.00 178.83 179.40 1i7s h LEU 21 N 0.02 0.43 -0.93 0.06 3.38 -1.00 -2.69 115.31 114.59 1i7s h LEU 21 Ca -0.00 -0.27 -0.09 0.00 0.09 0.00 0.00 57.88 57.60 1i7s h LEU 21 Cb 0.91 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 1i7s h LEU 21 CO 0.07 0.59 -0.45 0.03 0.09 0.00 0.00 178.44 178.77 1i7s h ARG 22 N 0.26 0.00 -0.25 1.13 3.08 -1.14 -1.57 114.38 115.89 1i7s h ARG 22 Ca 0.08 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.97 1i7s h ARG 22 Cb 0.35 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1i7s h ARG 22 CO 0.01 0.45 -0.50 0.00 -1.07 0.00 0.00 179.97 178.86 1i7s h ALA 23 N 1.55 0.65 0.00 0.04 0.00 -1.35 -1.45 119.26 118.70 1i7s h ALA 23 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1i7s h ALA 23 Cb 0.93 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1i7s h ALA 23 CO 0.06 0.68 0.00 0.43 0.00 0.00 0.00 179.25 180.42 1i7s n SER 24 N -4.00 0.16 -0.18 0.00 7.64 -1.02 -4.85 113.62 111.37 1i7s n SER 24 Ca -0.03 -1.37 -0.02 0.00 1.01 0.00 0.00 58.87 58.45 1i7s n SER 24 Cb 0.59 -0.08 -0.01 0.00 -1.01 0.00 0.00 64.21 63.70 1i7s n SER 24 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i7s n GLY 25 N 0.18 0.57 3.96 0.23 0.00 -0.54 -4.98 105.19 104.60 1i7s n GLY 25 Ca 0.00 -0.85 -0.23 0.00 0.00 0.00 0.00 46.02 44.94 1i7s n GLY 25 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1i7s s HIS 26 N -2.07 3.04 -0.17 1.61 3.76 -0.61 -4.73 115.29 116.11 1i7s s HIS 26 Ca 0.00 0.18 -0.06 0.00 -0.15 0.00 0.00 55.06 55.03 1i7s s HIS 26 Cb 0.00 -2.63 -0.04 0.00 1.11 0.00 0.00 32.58 31.03 1i7s s HIS 26 CO 0.00 -0.72 0.03 -1.14 -0.85 0.00 0.00 174.74 172.05 1i7s s GLN 27 N -4.75 3.87 -0.03 1.40 0.74 -1.00 -4.23 119.66 115.66 1i7s s GLN 27 Ca 0.54 -0.40 0.03 0.00 0.05 0.00 0.00 55.36 55.57 1i7s s GLN 27 Cb -0.10 -3.11 0.00 0.00 1.10 0.00 0.00 33.01 30.90 1i7s s GLN 27 CO 0.39 0.27 -0.11 0.08 -0.55 0.00 0.00 175.29 175.38 1i7s s VAL 28 N 0.35 0.91 -0.05 1.34 1.01 -1.26 -0.03 120.40 122.68 1i7s s VAL 28 Ca 0.01 -0.42 0.04 0.00 0.00 0.00 0.00 61.98 61.60 1i7s s VAL 28 Cb -0.13 -0.81 -0.00 0.00 0.00 0.00 0.00 36.38 35.44 1i7s s VAL 28 CO 0.01 0.28 -0.17 0.68 0.00 0.00 0.00 175.10 175.91 1i7s s VAL 29 N 0.22 1.40 -0.06 2.92 -7.23 -0.82 -5.00 120.40 111.83 1i7s s VAL 29 Ca -0.04 -0.69 0.04 0.00 -1.81 0.00 0.00 61.98 59.47 1i7s s VAL 29 Cb -0.10 -1.21 -0.02 0.00 0.56 0.00 0.00 36.38 35.61 1i7s s VAL 29 CO 0.01 0.41 -0.16 -0.63 -0.31 0.00 0.00 175.10 174.42 1i7s s ILE 30 N 0.12 2.89 -0.02 -0.62 1.09 -1.26 -1.25 121.20 122.15 1i7s s ILE 30 Ca -0.05 -0.78 0.01 0.00 -1.10 0.00 0.00 60.65 58.73 1i7s s ILE 30 Cb -0.12 -2.13 0.01 0.00 -1.06 0.00 0.00 42.46 39.16 1i7s s ILE 30 CO 0.03 0.58 -0.02 -0.31 -0.10 0.00 0.00 174.94 175.11 1i7s s TYR 31 N -0.53 0.37 0.62 3.97 1.51 -1.03 -5.00 117.35 117.25 1i7s s TYR 31 Ca 0.07 -0.05 -0.16 0.00 -1.01 0.00 0.00 57.07 55.92 1i7s s TYR 31 Cb -0.11 -0.33 -0.02 0.00 -0.11 0.00 0.00 41.96 41.38 1i7s s TYR 31 CO 0.01 -0.07 1.10 1.03 -1.11 0.00 0.00 175.55 176.51 1i7s s ARG 32 N 0.42 3.04 0.26 -0.62 1.81 -1.26 -0.56 118.95 122.03 1i7s s ARG 32 Ca -0.04 1.40 -0.06 0.00 -1.72 0.00 0.00 55.73 55.31 1i7s s ARG 32 Cb -0.07 -1.98 0.46 0.00 -0.45 0.00 0.00 34.95 32.90 1i7s s ARG 32 CO -0.01 -1.06 1.40 0.09 -0.68 0.00 0.00 175.30 175.04 1i7s n ASN 33 N -2.08 -0.29 0.00 0.23 5.03 -0.40 -2.45 115.26 115.30 1i7s n ASN 33 Ca 0.10 1.54 0.07 0.00 0.87 0.00 0.00 54.58 57.16 1i7s n ASN 33 Cb 0.52 -0.48 0.41 0.00 -1.02 0.00 0.00 39.78 39.21 1i7s n ASN 33 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1i7s n GLN 34 N -5.44 0.40 -2.46 3.52 3.00 -1.26 -2.50 117.38 112.64 1i7s n GLN 34 Ca 0.15 0.03 -0.36 0.00 -0.01 0.00 0.00 57.00 56.81 1i7s n GLN 34 Cb 0.49 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 29.20 1i7s n GLN 34 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1i7s s ILE 35 N -2.11 3.55 0.54 5.09 -1.09 -1.03 -4.94 121.20 121.20 1i7s s ILE 35 Ca 0.20 1.16 -0.22 0.00 -2.23 0.00 0.00 60.65 59.56 1i7s s ILE 35 Cb 0.10 -3.59 -0.05 0.00 -1.58 0.00 0.00 42.46 37.34 1i7s s ILE 35 CO 0.18 -0.02 1.37 -0.83 -1.23 0.00 0.00 174.94 174.41 1i7s s GLY 36 N -1.53 2.89 0.32 6.18 0.00 -1.26 -4.55 107.32 109.37 1i7s s GLY 36 Ca 0.60 1.36 0.02 0.00 0.00 0.00 0.00 44.72 46.70 1i7s s GLY 36 CO 0.29 1.89 1.92 0.00 0.00 0.00 0.00 173.10 177.20 1i7s h ALA 37 N 1.52 1.58 -0.53 3.20 0.00 -1.91 -2.12 119.26 121.01 1i7s h ALA 37 Ca -0.51 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.44 1i7s h ALA 37 Cb 1.30 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1i7s h ALA 37 CO 0.57 0.28 0.23 0.93 0.00 0.00 0.00 179.25 181.26 1i7s h GLU 38 N 0.94 0.43 -0.43 0.00 4.39 -1.98 -1.12 114.58 116.80 1i7s h GLU 38 Ca 0.38 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 60.03 1i7s h GLU 38 Cb 0.26 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1i7s h GLU 38 CO -0.14 0.28 0.15 0.28 -1.16 0.00 0.00 179.01 178.42 1i7s h VAL 39 N 0.44 1.17 -0.56 3.13 2.07 -1.75 0.17 116.25 120.93 1i7s h VAL 39 Ca 0.24 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 1i7s h VAL 39 Cb 0.22 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1i7s h VAL 39 CO -0.21 0.21 0.27 0.40 0.02 0.00 0.00 177.57 178.26 1i7s h ILE 40 N 0.61 1.20 0.08 4.57 1.08 -1.22 0.35 117.51 124.19 1i7s h ILE 40 Ca 0.15 -0.58 -0.00 0.00 -0.39 0.00 0.00 64.86 64.03 1i7s h ILE 40 Cb 0.16 0.55 0.00 0.00 -3.07 0.00 0.00 36.82 34.47 1i7s h ILE 40 CO -0.01 0.23 -0.04 0.40 -0.69 0.00 0.00 178.15 178.04 1i7s h ILE 41 N 0.76 1.02 -0.54 -0.67 1.08 -0.72 0.29 117.51 118.72 1i7s h ILE 41 Ca 0.19 -0.34 0.11 0.00 -0.39 0.00 0.00 64.86 64.43 1i7s h ILE 41 Cb 0.12 1.24 -0.09 0.00 -3.07 0.00 0.00 36.82 35.02 1i7s h ILE 41 CO -0.02 0.08 0.02 -0.33 -0.69 0.00 0.00 178.15 177.21 1i7s h GLU 42 N -0.26 0.14 -0.38 2.37 5.08 -0.70 -1.67 114.58 119.15 1i7s h GLU 42 Ca -0.01 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 1i7s h GLU 42 Cb 0.22 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1i7s h GLU 42 CO 0.02 0.09 -0.14 -0.09 -1.00 0.00 0.00 179.01 177.89 1i7s h ARG 43 N 0.14 0.77 -0.68 2.33 9.65 -0.46 -2.92 114.38 123.21 1i7s h ARG 43 Ca 0.28 -0.32 0.13 0.00 -1.10 0.00 0.00 59.98 58.97 1i7s h ARG 43 Cb 0.43 -0.03 -0.09 0.00 -1.39 0.00 0.00 29.97 28.88 1i7s h ARG 43 CO -0.44 0.93 0.20 -0.07 2.80 0.00 0.00 179.97 183.40 1i7s h LEU 44 N 0.57 0.11 -2.11 3.80 -0.00 0.41 -0.89 115.31 117.20 1i7s h LEU 44 Ca 0.09 0.12 0.08 0.00 -0.00 0.00 0.00 57.88 58.16 1i7s h LEU 44 Cb 0.67 0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 41.46 1i7s h LEU 44 CO 0.05 0.04 0.32 1.56 -0.00 0.00 0.00 178.44 180.41 1i7s h GLN 45 N 0.33 0.00 -0.08 1.13 4.20 -1.14 -0.12 115.11 119.43 1i7s h GLN 45 Ca 0.37 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.08 1i7s h GLN 45 Cb 0.57 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1i7s h GLN 45 CO -0.42 0.00 0.00 0.72 -0.67 0.00 0.00 178.83 178.46 1i7s n HIS 46 N -3.64 0.11 -4.62 2.96 8.25 -0.34 -4.87 115.22 113.07 1i7s n HIS 46 Ca 0.04 -0.05 -0.31 0.00 -0.26 0.00 0.00 57.72 57.13 1i7s n HIS 46 Cb 0.46 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.45 1i7s n HIS 46 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1i7s s MET 47 N -1.89 2.24 -0.24 -0.41 -1.94 -0.06 -5.10 119.30 111.89 1i7s s MET 47 Ca 0.20 -0.89 -0.07 0.00 -1.71 0.00 0.00 55.69 53.22 1i7s s MET 47 Cb 0.10 -2.29 -0.02 0.00 2.01 0.00 0.00 34.83 34.62 1i7s s MET 47 CO 0.15 0.56 0.05 -1.21 -0.01 0.00 0.00 175.02 174.56 1i7s s GLU 49 N -1.39 3.61 -0.47 2.03 0.41 -1.26 -4.49 118.70 117.13 1i7s s GLU 49 Ca 0.15 -0.50 -0.03 0.00 -0.41 0.00 0.00 54.97 54.18 1i7s s GLU 49 Cb -0.11 -3.27 -0.03 0.00 -1.78 0.00 0.00 34.13 28.94 1i7s s GLU 49 CO 0.06 -0.19 0.41 1.04 -0.49 0.00 0.00 175.26 176.09 1i7s n GLN 50 N 4.90 -1.01 -2.99 1.61 1.13 -1.26 -4.41 117.38 115.35 1i7s n GLN 50 Ca -0.17 0.42 -0.37 0.00 -1.94 0.00 0.00 57.00 54.94 1i7s n GLN 50 Cb 0.51 -3.47 -0.06 0.00 0.11 0.00 0.00 30.24 27.33 1i7s n GLN 50 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1i7s s PRO 51 N -3.61 4.44 -0.05 -1.09 0.04 -1.25 -1.06 135.00 132.42 1i7s s PRO 51 Ca 0.20 1.07 0.02 0.00 0.04 0.00 0.00 61.00 62.33 1i7s s PRO 51 Cb -0.03 -2.99 0.02 0.00 0.04 0.00 0.00 34.50 31.54 1i7s s PRO 51 CO 0.34 0.43 -0.08 0.08 0.04 0.00 0.00 177.00 177.81 1i7s s VAL 52 N -1.42 0.75 -0.17 -0.36 1.01 0.23 -4.44 120.40 116.00 1i7s s VAL 52 Ca 0.42 -0.27 -0.19 0.00 0.00 0.00 0.00 61.98 61.94 1i7s s VAL 52 Cb -0.19 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 1i7s s VAL 52 CO 0.23 0.26 0.54 -0.22 0.00 0.00 0.00 175.10 175.91 1i7s s LEU 53 N 0.69 4.19 -0.08 3.92 2.96 -0.93 -0.96 118.68 128.46 1i7s s LEU 53 Ca -0.11 0.76 0.04 0.00 -0.22 0.00 0.00 54.13 54.61 1i7s s LEU 53 Cb -0.14 -2.75 -0.01 0.00 0.50 0.00 0.00 46.19 43.79 1i7s s LEU 53 CO 0.01 -0.14 -0.23 -0.32 -1.32 0.00 0.00 176.35 174.35 1i7s s MET 54 N 1.37 2.84 -0.22 1.98 -2.45 0.38 -0.83 119.30 122.38 1i7s s MET 54 Ca 0.26 -0.86 -0.06 0.00 -1.25 0.00 0.00 55.69 53.78 1i7s s MET 54 Cb -0.16 -2.28 -0.02 0.00 1.25 0.00 0.00 34.83 33.62 1i7s s MET 54 CO 0.10 0.29 0.03 -0.51 1.05 0.00 0.00 175.02 175.98 1i7s s LEU 55 N 0.07 3.30 0.65 4.11 1.43 0.62 -0.54 118.68 128.32 1i7s s LEU 55 Ca -0.10 -0.22 -0.06 0.00 -1.03 0.00 0.00 54.13 52.72 1i7s s LEU 55 Cb -0.16 -1.86 0.04 0.00 0.03 0.00 0.00 46.19 44.24 1i7s s LEU 55 CO 0.06 0.01 0.96 -0.94 0.23 0.00 0.00 176.35 176.68 1i7s s SER 56 N 1.30 5.18 0.99 2.29 1.04 -0.78 0.68 113.70 124.40 1i7s s SER 56 Ca 0.04 0.58 -0.12 0.00 0.48 0.00 0.00 55.95 56.94 1i7s s SER 56 Cb -0.15 -1.39 0.18 0.00 0.10 0.00 0.00 66.02 64.77 1i7s s SER 56 CO 0.02 -1.35 1.08 -2.84 0.98 0.00 0.00 173.24 171.13 1i7s s PRO 57 N -5.13 0.51 0.00 4.02 0.02 -1.02 -3.49 135.00 129.92 1i7s s PRO 57 Ca 0.57 0.75 0.00 0.00 0.02 0.00 0.00 61.00 62.35 1i7s s PRO 57 Cb -0.11 -1.73 0.00 0.00 0.02 0.00 0.00 34.50 32.69 1i7s s PRO 57 CO 0.45 -2.73 0.00 0.41 -0.33 0.00 0.00 177.00 174.80 1i7s n GLY 58 N -0.67 2.34 3.77 0.52 0.00 -1.26 -4.03 105.19 105.86 1i7s n GLY 58 Ca 0.06 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 1i7s n GLY 58 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i7s s PRO 59 N -2.00 1.36 0.21 1.61 0.04 -1.26 -4.64 135.00 130.32 1i7s s PRO 59 Ca 0.00 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.53 1i7s s PRO 59 Cb 0.00 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1i7s s PRO 59 CO 0.00 -2.09 0.00 0.41 0.04 0.00 0.00 177.00 175.36 1i7s n GLY 60 N -1.90 -1.96 3.88 0.56 0.00 -1.26 -4.89 105.19 99.63 1i7s n GLY 60 Ca 0.07 -1.32 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 1i7s n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i7s s THR 61 N -2.15 4.82 0.32 2.61 -4.23 -1.26 -4.99 115.64 110.76 1i7s s THR 61 Ca 0.00 0.50 0.09 0.00 -1.18 0.00 0.00 61.69 61.10 1i7s s THR 61 Cb 0.00 -3.77 0.33 0.00 1.34 0.00 0.00 72.50 70.41 1i7s s THR 61 CO 0.00 -0.60 1.64 1.55 -0.54 0.00 0.00 174.62 176.66 1i7s h PRO 62 N 1.00 0.20 -0.15 3.99 0.13 -1.90 -1.69 132.00 133.59 1i7s h PRO 62 Ca -0.47 -0.01 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 1i7s h PRO 62 Cb 1.19 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1i7s h PRO 62 CO 0.63 0.13 -0.12 0.77 -0.23 0.00 0.00 178.00 179.18 1i7s h SER 63 N 0.21 0.22 -0.08 1.44 0.02 -1.96 -1.29 113.55 112.10 1i7s h SER 63 Ca 0.66 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.57 1i7s h SER 63 Cb 1.48 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.96 1i7s h SER 63 CO -0.68 0.37 0.00 -0.62 -1.14 0.00 0.00 176.83 174.76 1i7s n GLU 64 N -4.28 1.40 -1.06 3.45 1.02 -0.64 -4.62 120.64 115.91 1i7s n GLU 64 Ca -0.01 -0.60 -0.32 0.00 -0.02 0.00 0.00 57.16 56.21 1i7s n GLU 64 Cb 0.26 -1.37 -0.02 0.00 -0.02 0.00 0.00 31.44 30.28 1i7s n GLU 64 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i7s n ALA 65 N -0.19 5.61 -0.28 0.62 0.00 -0.49 -4.93 120.51 120.85 1i7s n ALA 65 Ca 0.16 -2.82 0.00 0.00 0.00 0.00 0.00 53.44 50.78 1i7s n ALA 65 Cb 0.22 -3.24 0.00 0.00 0.00 0.00 0.00 19.45 16.43 1i7s n ALA 65 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i7s n GLY 66 N 3.81 2.69 0.00 0.00 0.00 -1.26 -1.57 105.19 108.87 1i7s n GLY 66 Ca 0.57 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.67 1i7s n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i7s h MET 68 N 0.00 0.05 -0.71 0.00 -1.53 -1.55 0.10 114.93 111.30 1i7s h MET 68 Ca 0.00 -0.00 0.11 0.00 -3.44 0.00 0.00 59.70 56.37 1i7s h MET 68 Cb 0.12 -0.01 -0.08 0.00 -0.55 0.00 0.00 31.60 31.08 1i7s h MET 68 CO 0.00 0.03 0.31 -1.35 0.14 0.00 0.00 176.91 176.04 1i7s h PRO 69 N 0.05 0.49 -0.33 0.39 0.11 -1.80 0.25 132.00 131.17 1i7s h PRO 69 Ca 0.10 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.16 1i7s h PRO 69 Cb 0.14 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 1i7s h PRO 69 CO -0.18 0.32 0.11 1.49 -0.21 0.00 0.00 178.00 179.53 1i7s h GLU 70 N 0.50 0.50 -0.42 1.05 4.81 -1.78 -1.14 114.58 118.11 1i7s h GLU 70 Ca 0.37 -0.10 0.04 0.00 -0.13 0.00 0.00 59.36 59.53 1i7s h GLU 70 Cb 0.47 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1i7s h GLU 70 CO -0.33 0.52 0.28 1.25 -0.73 0.00 0.00 179.01 180.00 1i7s h LEU 71 N 0.37 0.36 0.12 1.64 5.85 0.35 -1.06 115.31 122.95 1i7s h LEU 71 Ca 0.11 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1i7s h LEU 71 Cb 0.22 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1i7s h LEU 71 CO -0.01 0.25 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.21 1i7s h LEU 72 N 0.42 -0.14 -0.96 2.25 3.38 -0.43 0.46 115.31 120.29 1i7s h LEU 72 Ca 0.17 -0.40 0.28 0.00 0.09 0.00 0.00 57.88 58.02 1i7s h LEU 72 Cb 0.16 0.04 -0.14 0.00 0.09 0.00 0.00 40.66 40.80 1i7s h LEU 72 CO -0.04 0.47 0.47 1.56 0.09 0.00 0.00 178.44 180.99 1i7s h GLN 73 N -0.89 0.32 0.05 1.13 7.50 -0.94 -0.98 115.11 121.29 1i7s h GLN 73 Ca -0.02 -0.02 -0.27 0.00 0.50 0.00 0.00 58.65 58.84 1i7s h GLN 73 Cb 0.53 -0.07 -0.03 0.00 0.05 0.00 0.00 27.48 27.96 1i7s h GLN 73 CO 0.03 0.21 -1.44 0.00 -1.50 0.00 0.00 178.83 176.13 1i7s h ARG 74 N 0.33 0.10 0.00 1.46 3.08 -1.22 -3.39 114.38 114.75 1i7s h ARG 74 Ca 0.66 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.54 1i7s h ARG 74 Cb 1.43 0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.54 1i7s h ARG 74 CO -0.60 0.90 -1.26 1.28 -1.07 0.00 0.00 179.97 179.22 1i7s n LEU 75 N -3.30 0.54 -4.67 3.04 4.77 0.15 -4.83 117.00 112.69 1i7s n LEU 75 Ca -0.12 -0.05 -0.50 0.00 -0.03 0.00 0.00 56.01 55.31 1i7s n LEU 75 Cb 1.02 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 42.00 1i7s n LEU 75 CO 0.48 0.04 1.50 0.54 -1.33 0.00 0.00 177.39 178.62 1i7s n ARG 76 N -2.04 1.89 0.00 3.23 1.74 -0.44 -0.21 116.66 120.83 1i7s n ARG 76 Ca 0.01 0.68 0.00 0.00 -0.77 0.00 0.00 57.85 57.76 1i7s n ARG 76 Cb 0.46 -2.54 0.00 0.00 -1.02 0.00 0.00 32.46 29.36 1i7s n ARG 76 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i7s n GLY 77 N 4.59 2.74 0.13 -0.13 0.00 -1.26 -4.92 105.19 106.33 1i7s n GLY 77 Ca 0.25 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.08 1i7s n GLY 77 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i7s n GLN 78 N -1.84 0.72 -3.76 1.61 1.13 0.71 -5.01 117.38 110.94 1i7s n GLN 78 Ca 0.00 0.23 -0.10 0.00 -1.94 0.00 0.00 57.00 55.18 1i7s n GLN 78 Cb 0.00 -1.66 -0.07 0.00 0.11 0.00 0.00 30.24 28.62 1i7s n GLN 78 CO 0.00 0.00 0.00 -0.48 -1.44 0.00 0.00 177.06 175.14 1i7s s LEU 79 N -6.79 0.96 0.14 1.08 2.34 -1.22 -5.13 118.68 110.06 1i7s s LEU 79 Ca -0.24 -0.37 -0.31 0.00 0.06 0.00 0.00 54.13 53.27 1i7s s LEU 79 Cb 0.07 1.35 -0.09 0.00 -0.56 0.00 0.00 46.19 46.96 1i7s s LEU 79 CO 0.73 -0.70 1.56 -2.16 -1.06 0.00 0.00 176.35 174.72 1i7s s PRO 80 N -3.25 4.23 -0.18 1.48 0.05 -1.26 -4.85 135.00 131.22 1i7s s PRO 80 Ca -0.00 2.32 -0.00 0.00 0.05 0.00 0.00 61.00 63.36 1i7s s PRO 80 Cb 0.02 -3.26 0.00 0.00 0.05 0.00 0.00 34.50 31.32 1i7s s PRO 80 CO -0.08 -0.61 -0.15 0.42 0.05 0.00 0.00 177.00 176.63 1i7s s ILE 81 N 1.44 2.57 -0.19 0.56 1.01 -1.14 -2.19 121.20 123.25 1i7s s ILE 81 Ca 0.70 -0.78 -0.04 0.00 0.00 0.00 0.00 60.65 60.53 1i7s s ILE 81 Cb -0.42 -2.10 -0.02 0.00 0.01 0.00 0.00 42.46 39.93 1i7s s ILE 81 CO 0.31 0.51 -0.03 -0.63 0.00 0.00 0.00 174.94 175.10 1i7s s ILE 82 N 1.11 3.65 -0.11 2.92 1.01 -0.01 -2.57 121.20 127.21 1i7s s ILE 82 Ca 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 60.65 60.24 1i7s s ILE 82 Cb -0.14 -2.64 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 1i7s s ILE 82 CO -0.05 0.44 -0.12 -0.83 0.00 0.00 0.00 174.94 174.38 1i7s s GLY 83 N 1.03 1.56 -0.15 6.18 0.00 -0.54 -0.28 107.32 115.11 1i7s s GLY 83 Ca 0.01 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 43.83 1i7s s GLY 83 CO 0.01 -0.37 -0.17 -0.42 0.00 0.00 0.00 173.10 172.15 1i7s s ILE 84 N -0.01 2.53 0.00 0.90 -1.09 0.21 -0.70 121.20 123.04 1i7s s ILE 84 Ca -0.03 -0.82 0.00 0.00 -2.23 0.00 0.00 60.65 57.57 1i7s s ILE 84 Cb -0.14 -2.06 0.00 0.00 -1.58 0.00 0.00 42.46 38.68 1i7s s ILE 84 CO 0.04 0.52 0.00 0.00 -1.23 0.00 0.00 174.94 174.27 1i7s h LEU 86 N 0.00 0.06 -0.27 0.00 5.85 -1.82 0.52 115.31 119.64 1i7s h LEU 86 Ca 0.00 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.59 1i7s h LEU 86 Cb 0.00 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1i7s h LEU 86 CO 0.00 0.02 -0.36 1.23 -0.34 0.00 0.00 178.44 178.99 1i7s h GLY 87 N 0.05 0.78 1.00 3.75 0.00 -1.37 0.99 103.07 108.28 1i7s h GLY 87 Ca 0.45 -0.85 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 1i7s h GLY 87 CO -0.03 0.76 0.31 0.84 0.00 0.00 0.00 176.54 178.42 1i7s h HIS 88 N 0.45 0.96 -0.43 5.60 -0.00 -0.17 -2.31 115.15 119.25 1i7s h HIS 88 Ca 0.03 -0.05 -0.12 0.00 -0.00 0.00 0.00 60.37 60.23 1i7s h HIS 88 Cb 0.94 -0.30 -0.01 0.00 -0.00 0.00 0.00 27.41 28.04 1i7s h HIS 88 CO 0.08 0.73 -0.23 1.96 -0.00 0.00 0.00 177.93 180.47 1i7s h GLN 89 N 0.92 0.86 -0.44 5.26 4.20 -0.07 -2.06 115.11 123.78 1i7s h GLN 89 Ca 0.23 -0.36 -0.05 0.00 0.06 0.00 0.00 58.65 58.53 1i7s h GLN 89 Cb 0.13 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 1i7s h GLN 89 CO -0.03 1.00 0.07 0.00 -0.67 0.00 0.00 178.83 179.21 1i7s h ALA 90 N 0.99 1.30 -0.22 3.87 0.00 -0.76 -1.10 119.26 123.34 1i7s h ALA 90 Ca 0.10 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1i7s h ALA 90 Cb 0.77 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1i7s h ALA 90 CO 0.06 0.48 -0.07 0.82 0.00 0.00 0.00 179.25 180.55 1i7s h ILE 91 N 0.65 1.29 -0.90 0.00 2.04 -1.10 0.82 117.51 120.30 1i7s h ILE 91 Ca 0.14 -1.08 0.03 0.00 1.00 0.00 0.00 64.86 64.95 1i7s h ILE 91 Cb 0.30 1.54 -0.05 0.00 -0.74 0.00 0.00 36.82 37.87 1i7s h ILE 91 CO 0.00 0.33 0.59 0.58 0.00 0.00 0.00 178.15 179.65 1i7s h VAL 92 N 0.16 1.17 -0.54 1.67 2.07 -1.03 -1.85 116.25 117.91 1i7s h VAL 92 Ca 0.05 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 1i7s h VAL 92 Cb 0.53 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1i7s h VAL 92 CO 0.02 0.21 0.17 -0.33 0.02 0.00 0.00 177.57 177.67 1i7s h GLU 93 N 1.16 0.83 -0.29 1.57 5.08 -0.97 0.68 114.58 122.64 1i7s h GLU 93 Ca 0.35 -0.18 0.09 0.00 -1.00 0.00 0.00 59.36 58.62 1i7s h GLU 93 Cb -0.04 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 1i7s h GLU 93 CO -0.10 0.76 0.29 0.00 -1.00 0.00 0.00 179.01 178.95 1i7s h ALA 94 N 1.04 2.02 -0.40 3.43 0.00 -0.04 0.23 119.26 125.53 1i7s h ALA 94 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1i7s h ALA 94 Cb 0.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1i7s h ALA 94 CO -0.01 -0.44 0.00 0.66 0.00 0.00 0.00 179.25 179.46 1i7s n TYR 95 N -3.91 0.87 0.00 0.00 4.02 -0.88 -4.95 117.16 112.30 1i7s n TYR 95 Ca 0.04 -0.64 0.00 0.00 -0.01 0.00 0.00 57.90 57.29 1i7s n TYR 95 Cb 0.44 -0.17 0.00 0.00 -0.02 0.00 0.00 39.34 39.59 1i7s n TYR 95 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1i7s n GLY 96 N 0.38 0.83 0.00 2.72 0.00 0.07 -4.77 105.19 104.42 1i7s n GLY 96 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1i7s n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i7s n GLY 97 N -1.93 -0.26 0.00 -0.02 0.00 0.23 -4.80 105.19 98.42 1i7s n GLY 97 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1i7s n GLY 97 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1i7s n GLN 98 N -0.87 0.00 0.00 1.61 0.00 -0.97 -4.38 117.38 112.76 1i7s n GLN 98 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1i7s n GLN 98 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1i7s n GLN 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1i7s n VAL 99 N 0.00 0.00 0.00 1.69 0.31 -1.26 -4.63 118.33 114.44 1i7s n VAL 99 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1i7s n VAL 99 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 1i7s n VAL 99 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1i7s n GLY 100 N -1.93 3.01 3.71 2.92 0.00 -1.26 -4.85 105.19 106.78 1i7s n GLY 100 Ca 0.00 -0.82 -0.67 0.00 0.00 0.00 0.00 46.02 44.53 1i7s n GLY 100 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1i7s n GLN 101 N 0.00 0.06 -2.88 1.61 3.00 -1.26 -2.09 117.38 115.81 1i7s n GLN 101 Ca 0.00 0.02 -0.10 0.00 -0.01 0.00 0.00 57.00 56.91 1i7s n GLN 101 Cb 0.00 -1.53 0.05 0.00 0.00 0.00 0.00 30.24 28.76 1i7s n GLN 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1i7s n ALA 102 N 4.36 -0.93 -1.67 -1.58 0.00 -1.26 -0.43 120.51 119.00 1i7s n ALA 102 Ca 0.33 0.06 -0.33 0.00 0.00 0.00 0.00 53.44 53.50 1i7s n ALA 102 Cb -0.05 -2.15 -0.07 0.00 0.00 0.00 0.00 19.45 17.19 1i7s n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i7s n GLY 103 N -1.16 1.44 0.00 0.00 0.00 -0.89 -4.16 105.19 100.42 1i7s n GLY 103 Ca -0.09 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1i7s n GLY 103 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i7s n GLU 104 N 7.84 0.00 -0.21 1.61 -0.58 -1.26 -4.65 120.64 123.38 1i7s n GLU 104 Ca 0.46 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 57.23 1i7s n GLU 104 Cb 0.44 -0.50 -0.01 0.00 -0.57 0.00 0.00 31.44 30.81 1i7s n GLU 104 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1i7s n ILE 105 N -0.24 -0.02 0.00 -3.67 5.41 -1.26 -4.78 119.36 114.80 1i7s n ILE 105 Ca 0.00 0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.83 1i7s n ILE 105 Cb 0.00 -0.15 0.00 0.00 -0.71 0.00 0.00 39.64 38.78 1i7s n ILE 105 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1i7s n LEU 106 N -2.71 0.00 0.00 1.39 4.77 -1.26 -5.04 117.00 114.15 1i7s n LEU 106 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1i7s n LEU 106 Cb 0.10 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1i7s n LEU 106 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.39 177.47 1i7s n HIS 107 N 0.00 0.00 0.00 -1.77 8.25 -1.26 -4.63 115.22 115.81 1i7s n HIS 107 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1i7s n HIS 107 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1i7s n HIS 107 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i7s n GLY 108 N 0.00 0.00 1.44 -1.41 0.00 -1.26 -4.87 105.19 99.08 1i7s n GLY 108 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1i7s n GLY 108 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i7s n LYS 109 N 0.32 0.00 0.00 1.61 4.01 -1.26 -5.07 118.16 117.77 1i7s n LYS 109 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1i7s n LYS 109 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1i7s n LYS 109 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1i7s n ALA 110 N -0.22 0.00 -2.85 7.82 0.00 -1.26 -5.09 120.51 118.92 1i7s n ALA 110 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1i7s n ALA 110 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1i7s n ALA 110 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1i7s s SER 111 N 0.00 4.12 -0.75 0.00 0.01 -0.18 -4.85 113.70 112.04 1i7s s SER 111 Ca 0.00 -0.25 -0.19 0.00 1.31 0.00 0.00 55.95 56.81 1i7s s SER 111 Cb 0.00 -1.37 0.12 0.00 0.21 0.00 0.00 66.02 64.98 1i7s s SER 111 CO 0.00 0.23 0.93 0.00 0.41 0.00 0.00 173.24 174.81 1i7s s ALA 112 N -0.05 3.39 0.46 1.44 0.00 -1.26 -0.16 121.76 125.57 1i7s s ALA 112 Ca -0.02 -2.44 -0.21 0.00 0.00 0.00 0.00 51.96 49.30 1i7s s ALA 112 Cb -0.14 -3.80 -0.10 0.00 0.00 0.00 0.00 23.12 19.09 1i7s s ALA 112 CO 0.04 -2.68 0.99 0.96 0.00 0.00 0.00 175.76 175.07 1i7s s ILE 113 N 2.78 4.11 -0.21 0.00 -4.36 0.12 -4.54 121.20 119.10 1i7s s ILE 113 Ca 0.22 1.31 -0.08 0.00 -0.26 0.00 0.00 60.65 61.85 1i7s s ILE 113 Cb -0.14 -3.53 -0.04 0.00 1.25 0.00 0.00 42.46 40.00 1i7s s ILE 113 CO 0.00 -0.29 0.07 0.00 0.24 0.00 0.00 174.94 174.97 1i7s s ALA 114 N -2.09 3.36 0.15 2.27 0.00 0.49 0.13 121.76 126.06 1i7s s ALA 114 Ca 0.64 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.74 1i7s s ALA 114 Cb -0.12 -2.00 0.01 0.00 0.00 0.00 0.00 23.12 21.00 1i7s s ALA 114 CO 0.16 -0.04 0.06 -2.39 0.00 0.00 0.00 175.76 173.55 1i7s n HIS 115 N 3.99 -0.41 -0.34 0.00 1.44 -1.26 -0.49 115.22 118.15 1i7s n HIS 115 Ca -0.16 -0.70 0.09 0.00 -2.01 0.00 0.00 57.72 54.95 1i7s n HIS 115 Cb 0.52 -0.11 0.27 0.00 0.12 0.00 0.00 29.99 30.79 1i7s n HIS 115 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 1i7s n ASP 116 N -1.50 3.69 -2.62 4.39 5.68 -0.90 -4.95 116.55 120.34 1i7s n ASP 116 Ca -0.04 -2.06 -0.15 0.00 -0.50 0.00 0.00 54.79 52.05 1i7s n ASP 116 Cb 0.18 -0.41 -0.00 0.00 -1.14 0.00 0.00 41.12 39.75 1i7s n ASP 116 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1i7s n GLY 117 N 1.18 -0.50 3.30 6.12 0.00 -1.26 -4.96 105.19 109.07 1i7s n GLY 117 Ca 0.20 0.02 -0.19 0.00 0.00 0.00 0.00 46.02 46.06 1i7s n GLY 117 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i7s s GLU 118 N -5.23 1.19 7.51 1.61 2.02 -1.26 -4.19 118.70 120.34 1i7s s GLU 118 Ca 0.08 -1.41 0.00 0.00 0.02 0.00 0.00 54.97 53.66 1i7s s GLU 118 Cb -0.04 -1.06 0.00 0.00 0.10 0.00 0.00 34.13 33.13 1i7s s GLU 118 CO 0.10 0.19 0.00 0.41 0.02 0.00 0.00 175.26 175.98 1i7s n GLY 119 N 0.12 2.85 0.37 -1.39 0.00 -1.26 -1.69 105.19 104.18 1i7s n GLY 119 Ca -0.12 -0.24 0.10 0.00 0.00 0.00 0.00 46.02 45.76 1i7s n GLY 119 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1i7s h MET 120 N 0.00 0.76 0.00 1.61 2.86 -1.94 -2.31 114.93 115.91 1i7s h MET 120 Ca 0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1i7s h MET 120 Cb 0.00 -0.17 0.00 0.00 0.06 0.00 0.00 31.60 31.49 1i7s h MET 120 CO 0.00 0.50 0.00 1.19 1.06 0.00 0.00 176.91 179.66 1i7s n PHE 121 N -4.55 0.00 -2.11 -0.22 3.72 -0.68 -4.70 117.46 108.92 1i7s n PHE 121 Ca 0.16 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.15 1i7s n PHE 121 Cb 0.39 -0.04 -0.03 0.00 -0.94 0.00 0.00 39.48 38.87 1i7s n PHE 121 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1i7s s ALA 122 N -2.07 3.61 0.00 4.37 0.00 -0.87 -2.46 121.76 124.34 1i7s s ALA 122 Ca 0.41 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.56 1i7s s ALA 122 Cb 0.19 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1i7s s ALA 122 CO 0.34 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 175.86 1i7s n GLY 123 N 3.01 1.92 3.78 0.00 0.00 -1.26 -4.98 105.19 107.66 1i7s n GLY 123 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1i7s n GLY 123 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1i7s s MET 124 N -0.48 4.49 0.44 1.61 1.00 -1.03 -5.03 119.30 120.30 1i7s s MET 124 Ca 0.00 1.08 -0.22 0.00 0.00 0.00 0.00 55.69 56.55 1i7s s MET 124 Cb 0.00 -3.21 -0.12 0.00 0.00 0.00 0.00 34.83 31.51 1i7s s MET 124 CO 0.00 0.55 0.63 0.00 0.00 0.00 0.00 175.02 176.20 1i7s n ALA 125 N 1.48 -1.16 -3.68 3.03 0.00 -1.26 -4.96 120.51 113.96 1i7s n ALA 125 Ca -0.06 0.16 -0.20 0.00 0.00 0.00 0.00 53.44 53.34 1i7s n ALA 125 Cb 0.49 -1.84 -0.18 0.00 0.00 0.00 0.00 19.45 17.93 1i7s n ALA 125 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1i7s s ASN 126 N -0.94 1.13 0.83 0.00 3.84 -1.26 -3.35 114.94 115.19 1i7s s ASN 126 Ca 0.64 0.07 -0.11 0.00 0.21 0.00 0.00 52.86 53.67 1i7s s ASN 126 Cb -0.58 -0.16 0.09 0.00 -0.55 0.00 0.00 41.25 40.06 1i7s s ASN 126 CO 0.57 -0.24 1.09 -2.16 -2.79 0.00 0.00 177.10 173.58 1i7s s PRO 127 N 2.11 1.75 -0.27 0.43 0.05 -1.26 -5.07 135.00 132.73 1i7s s PRO 127 Ca 0.04 1.07 -0.08 0.00 0.05 0.00 0.00 61.00 62.09 1i7s s PRO 127 Cb -0.12 -1.85 -0.02 0.00 0.05 0.00 0.00 34.50 32.57 1i7s s PRO 127 CO -0.03 -1.97 0.09 -1.17 0.05 0.00 0.00 177.00 173.96 1i7s s LEU 128 N -6.11 3.65 -0.12 -3.56 2.96 0.34 -4.81 118.68 111.03 1i7s s LEU 128 Ca 0.63 -0.38 -0.29 0.00 -0.22 0.00 0.00 54.13 53.86 1i7s s LEU 128 Cb -0.18 -1.93 -0.03 0.00 0.50 0.00 0.00 46.19 44.55 1i7s s LEU 128 CO 0.57 -0.10 1.47 -2.16 -1.32 0.00 0.00 176.35 174.80 1i7s s PRO 129 N 1.59 4.18 0.06 0.98 0.04 -1.26 0.10 135.00 140.69 1i7s s PRO 129 Ca 0.05 1.90 -0.00 0.00 0.04 0.00 0.00 61.00 62.99 1i7s s PRO 129 Cb -0.16 -3.89 -0.04 0.00 0.04 0.00 0.00 34.50 30.46 1i7s s PRO 129 CO 0.04 -0.81 -0.04 0.14 0.04 0.00 0.00 177.00 176.36 1i7s s VAL 130 N 3.87 0.35 -0.00 -0.36 -7.23 0.77 -4.07 120.40 113.72 1i7s s VAL 130 Ca 0.64 -1.79 -0.27 0.00 -1.81 0.00 0.00 61.98 58.76 1i7s s VAL 130 Cb -0.27 -1.49 -0.04 0.00 0.56 0.00 0.00 36.38 35.14 1i7s s VAL 130 CO 0.23 -0.93 0.83 0.00 -0.31 0.00 0.00 175.10 174.92 1i7s s ALA 131 N -3.67 3.27 -0.06 1.32 0.00 -1.26 -1.01 121.76 120.36 1i7s s ALA 131 Ca 0.07 0.35 0.04 0.00 0.00 0.00 0.00 51.96 52.42 1i7s s ALA 131 Cb 0.06 -3.13 -0.00 0.00 0.00 0.00 0.00 23.12 20.05 1i7s s ALA 131 CO -0.08 -0.10 -0.20 1.03 0.00 0.00 0.00 175.76 176.41 1i7s s ARG 132 N 0.61 2.23 0.00 0.00 0.52 -1.26 -0.07 118.95 120.98 1i7s s ARG 132 Ca 0.44 -0.70 0.07 0.00 -0.52 0.00 0.00 55.73 55.02 1i7s s ARG 132 Cb -0.20 -1.83 0.10 0.00 0.52 0.00 0.00 34.95 33.54 1i7s s ARG 132 CO 0.24 0.22 0.87 0.66 0.02 0.00 0.00 175.30 177.30 1i7s n TYR 133 N 3.31 0.09 -4.09 -0.53 4.02 -1.26 -4.84 117.16 113.87 1i7s n TYR 133 Ca -0.19 -0.15 -0.11 0.00 -0.01 0.00 0.00 57.90 57.44 1i7s n TYR 133 Cb 0.53 -0.01 -0.11 0.00 -0.02 0.00 0.00 39.34 39.73 1i7s n TYR 133 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1i7s s HIS 134 N -0.74 0.66 0.33 -0.72 3.76 -1.26 -4.83 115.29 112.50 1i7s s HIS 134 Ca 0.11 -0.69 0.01 0.00 -0.15 0.00 0.00 55.06 54.34 1i7s s HIS 134 Cb 0.07 -0.41 -0.00 0.00 1.11 0.00 0.00 32.58 33.35 1i7s s HIS 134 CO 0.10 -0.15 0.04 0.45 -0.85 0.00 0.00 174.74 174.33 1i7s n SER 135 N 0.89 2.29 0.00 1.40 2.88 -1.26 -4.88 113.62 114.94 1i7s n SER 135 Ca -0.19 -2.56 0.00 0.00 -1.33 0.00 0.00 58.87 54.79 1i7s n SER 135 Cb 0.57 0.44 0.00 0.00 -0.75 0.00 0.00 64.21 64.47 1i7s n SER 135 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1i7s n LEU 136 N 0.00 0.00 0.00 2.46 4.77 -1.26 -4.23 117.00 118.74 1i7s n LEU 136 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1i7s n LEU 136 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1i7s n LEU 136 CO 0.24 0.00 0.00 0.52 -1.33 0.00 0.00 177.39 176.82 1i7s n VAL 137 N 0.00 -0.10 0.03 4.08 0.31 0.43 -4.72 118.33 118.35 1i7s n VAL 137 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 1i7s n VAL 137 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 1i7s n VAL 137 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1i7s h GLY 138 N 0.00 -0.07 -2.60 2.92 0.00 -1.93 -3.47 103.07 97.92 1i7s h GLY 138 Ca 0.00 0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.36 1i7s h GLY 138 CO 0.00 -0.03 -0.68 -1.26 0.00 0.00 0.00 176.54 174.57 1i7s n SER 139 N -2.29 -5.89 -3.71 0.19 2.88 -1.26 -4.96 113.62 98.59 1i7s n SER 139 Ca -0.01 1.30 -0.16 0.00 -1.33 0.00 0.00 58.87 58.67 1i7s n SER 139 Cb 0.03 -3.25 -0.16 0.00 -0.75 0.00 0.00 64.21 60.08 1i7s n SER 139 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1i7s s ASN 140 N -4.72 0.50 -0.18 -3.46 2.47 -1.26 -4.86 114.94 103.43 1i7s s ASN 140 Ca 0.00 0.19 -0.05 0.00 0.42 0.00 0.00 52.86 53.42 1i7s s ASN 140 Cb 0.00 0.07 -0.03 0.00 -1.45 0.00 0.00 41.25 39.84 1i7s s ASN 140 CO 0.00 -0.20 -0.00 -0.63 -3.72 0.00 0.00 177.10 172.55 1i7s s ILE 141 N 1.73 4.12 0.30 -5.21 -1.09 -1.26 -2.29 121.20 117.50 1i7s s ILE 141 Ca -0.02 -0.27 -0.29 0.00 -2.23 0.00 0.00 60.65 57.84 1i7s s ILE 141 Cb -0.12 -2.84 -0.10 0.00 -1.58 0.00 0.00 42.46 37.82 1i7s s ILE 141 CO -0.04 0.46 1.23 -2.84 -1.23 0.00 0.00 174.94 172.51 1i7s s PRO 142 N 0.60 4.47 0.86 2.79 0.02 -1.26 -5.01 135.00 137.47 1i7s s PRO 142 Ca -0.01 2.05 -0.14 0.00 0.02 0.00 0.00 61.00 62.92 1i7s s PRO 142 Cb -0.14 -3.13 0.01 0.00 0.02 0.00 0.00 34.50 31.27 1i7s s PRO 142 CO 0.02 -0.04 0.50 0.00 -0.33 0.00 0.00 177.00 177.15 1i7s n ALA 143 N 1.10 -2.04 -3.12 -1.55 0.00 -1.26 -2.28 120.51 111.35 1i7s n ALA 143 Ca 0.00 -0.45 -0.13 0.00 0.00 0.00 0.00 53.44 52.85 1i7s n ALA 143 Cb 0.43 -1.85 -0.02 0.00 0.00 0.00 0.00 19.45 18.01 1i7s n ALA 143 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1i7s n ASP 145 N -1.04 -1.30 -3.91 0.00 9.92 -1.26 -4.73 116.55 114.24 1i7s n ASP 145 Ca 0.08 -0.04 -0.29 0.00 -0.53 0.00 0.00 54.79 54.02 1i7s n ASP 145 Cb 0.52 -1.22 -0.13 0.00 -0.64 0.00 0.00 41.12 39.65 1i7s n ASP 145 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1i7s s LEU 146 N -5.69 4.57 0.11 0.64 2.96 -0.97 -4.74 118.68 115.55 1i7s s LEU 146 Ca 0.26 -3.54 -0.31 0.00 -0.22 0.00 0.00 54.13 50.32 1i7s s LEU 146 Cb -0.15 -1.61 -0.10 0.00 0.50 0.00 0.00 46.19 44.82 1i7s s LEU 146 CO 0.31 -0.14 1.87 0.41 -1.32 0.00 0.00 176.35 177.48 1i7s n THR 147 N 2.40 0.45 -2.74 3.68 -1.04 -0.11 -4.75 114.28 112.16 1i7s n THR 147 Ca 0.15 -0.08 -0.43 0.00 -2.04 0.00 0.00 64.05 61.65 1i7s n THR 147 Cb 0.34 -2.17 -0.03 0.00 -1.82 0.00 0.00 70.33 66.65 1i7s n THR 147 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1i7s s VAL 148 N 3.08 4.50 -1.83 12.58 1.01 -1.26 0.14 120.40 138.62 1i7s s VAL 148 Ca 0.83 1.27 0.16 0.00 0.00 0.00 0.00 61.98 64.25 1i7s s VAL 148 Cb -0.47 -4.40 0.25 0.00 0.00 0.00 0.00 36.38 31.76 1i7s s VAL 148 CO 0.38 -0.62 1.15 -0.46 0.00 0.00 0.00 175.10 175.55 1i7s n ASN 149 N 6.99 2.75 -3.65 3.32 6.94 -1.11 -4.95 115.26 125.54 1i7s n ASN 149 Ca 0.09 -1.80 -0.14 0.00 -0.02 0.00 0.00 54.58 52.71 1i7s n ASN 149 Cb 0.48 -0.12 -0.08 0.00 -2.36 0.00 0.00 39.78 37.70 1i7s n ASN 149 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1i7s s ALA 150 N -1.25 -1.62 0.14 -2.53 0.00 -1.25 -2.11 121.76 113.14 1i7s s ALA 150 Ca 0.25 1.85 -0.01 0.00 0.00 0.00 0.00 51.96 54.05 1i7s s ALA 150 Cb 0.15 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.16 1i7s s ALA 150 CO 0.22 -0.31 0.06 1.03 0.00 0.00 0.00 175.76 176.75 1i7s s ARG 151 N 0.35 0.96 -0.30 0.00 0.52 0.35 -0.16 118.95 120.67 1i7s s ARG 151 Ca -0.00 -1.46 -0.04 0.00 -0.52 0.00 0.00 55.73 53.71 1i7s s ARG 151 Cb -0.05 0.19 0.17 0.00 0.52 0.00 0.00 34.95 35.79 1i7s s ARG 151 CO 0.01 -0.26 0.62 0.12 0.02 0.00 0.00 175.30 175.82 1i7s s PHE 152 N -4.02 -1.52 0.00 -0.53 5.36 -0.53 -0.38 117.98 116.36 1i7s s PHE 152 Ca 0.25 1.87 0.00 0.00 -0.96 0.00 0.00 56.93 58.09 1i7s s PHE 152 Cb 0.07 0.63 0.00 0.00 -0.34 0.00 0.00 43.02 43.38 1i7s s PHE 152 CO 0.03 -0.81 0.00 0.41 -1.46 0.00 0.00 175.22 173.38 1i7s n GLY 153 N 5.43 2.26 2.40 13.12 0.00 -1.26 -1.20 105.19 125.95 1i7s n GLY 153 Ca -0.04 -0.52 -0.33 0.00 0.00 0.00 0.00 46.02 45.13 1i7s n GLY 153 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1i7s n GLU 154 N 13.28 2.57 -4.39 1.61 -0.58 -1.26 -4.92 120.64 126.95 1i7s n GLU 154 Ca 0.00 -3.05 -0.19 0.00 -0.42 0.00 0.00 57.16 53.50 1i7s n GLU 154 Cb 0.00 -2.19 -0.14 0.00 -0.57 0.00 0.00 31.44 28.54 1i7s n GLU 154 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1i7s s MET 155 N -3.49 0.83 -0.09 3.49 -1.94 -0.34 -5.02 119.30 112.73 1i7s s MET 155 Ca 0.57 -0.48 -0.27 0.00 -1.71 0.00 0.00 55.69 53.81 1i7s s MET 155 Cb 0.45 -0.80 -0.02 0.00 2.01 0.00 0.00 34.83 36.47 1i7s s MET 155 CO -0.11 0.21 0.86 0.08 -0.01 0.00 0.00 175.02 176.06 1i7s s VAL 156 N -0.46 4.91 -0.05 -6.03 1.01 -1.26 -1.46 120.40 117.06 1i7s s VAL 156 Ca 0.02 1.75 0.14 0.00 0.00 0.00 0.00 61.98 63.90 1i7s s VAL 156 Cb -0.05 -4.18 -0.22 0.00 0.00 0.00 0.00 36.38 31.92 1i7s s VAL 156 CO 0.00 0.12 0.26 0.23 0.00 0.00 0.00 175.10 175.70 1i7s n MET 157 N 4.48 0.78 -3.77 2.72 2.81 0.77 -4.79 117.12 120.13 1i7s n MET 157 Ca 0.04 -0.10 -0.10 0.00 -1.81 0.00 0.00 57.70 55.72 1i7s n MET 157 Cb 0.50 -1.36 -0.07 0.00 -0.71 0.00 0.00 33.22 31.58 1i7s n MET 157 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1i7s s ALA 158 N -2.87 -0.55 -0.07 3.04 0.00 -0.93 -0.76 121.76 119.63 1i7s s ALA 158 Ca -0.06 -0.25 -0.14 0.00 0.00 0.00 0.00 51.96 51.51 1i7s s ALA 158 Cb 0.08 0.46 0.03 0.00 0.00 0.00 0.00 23.12 23.69 1i7s s ALA 158 CO 0.61 -0.50 0.33 0.08 0.00 0.00 0.00 175.76 176.29 1i7s s VAL 159 N -3.31 0.03 -0.07 0.00 1.01 -1.06 -2.76 120.40 114.26 1i7s s VAL 159 Ca 0.00 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 1i7s s VAL 159 Cb 0.02 -0.56 0.02 0.00 0.00 0.00 0.00 36.38 35.86 1i7s s VAL 159 CO -0.08 -0.14 0.27 0.00 0.00 0.00 0.00 175.10 175.16 1i7s s ARG 160 N -0.62 0.45 -0.30 2.72 1.70 0.12 -1.76 118.95 121.26 1i7s s ARG 160 Ca -0.07 0.12 0.02 0.00 -0.47 0.00 0.00 55.73 55.33 1i7s s ARG 160 Cb -0.04 0.21 0.09 0.00 -0.57 0.00 0.00 34.95 34.63 1i7s s ARG 160 CO 0.03 -0.09 0.01 0.34 -1.08 0.00 0.00 175.30 174.51 1i7s s ASP 161 N -0.49 4.36 0.36 -2.89 -1.08 0.13 -0.94 116.67 116.12 1i7s s ASP 161 Ca -0.06 -1.72 0.06 0.00 -0.52 0.00 0.00 52.55 50.31 1i7s s ASP 161 Cb -0.04 -1.36 0.68 0.00 -1.46 0.00 0.00 42.92 40.74 1i7s s ASP 161 CO 0.02 -0.33 1.91 0.44 0.52 0.00 0.00 175.17 177.73 1i7s h ASP 162 N 7.81 0.44 0.11 -0.34 3.32 -1.90 0.29 116.42 126.15 1i7s h ASP 162 Ca -0.11 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 1i7s h ASP 162 Cb 1.03 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.47 1i7s h ASP 162 CO 0.48 0.49 -0.05 0.03 -1.72 0.00 0.00 179.24 178.47 1i7s h ARG 163 N 0.46 -0.14 0.00 3.56 -0.00 -1.95 -3.00 114.38 113.31 1i7s h ARG 163 Ca 0.10 0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.59 1i7s h ARG 163 Cb 0.27 0.03 0.00 0.00 0.00 0.00 0.00 29.97 30.27 1i7s h ARG 163 CO 0.01 0.32 0.00 0.00 0.00 0.00 0.00 179.97 180.30 1i7s h ARG 164 N -0.92 0.00 -4.93 0.04 3.08 -1.97 -3.46 114.38 106.22 1i7s h ARG 164 Ca -0.01 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.71 1i7s h ARG 164 Cb 0.52 0.00 0.11 0.00 0.08 0.00 0.00 29.97 30.69 1i7s h ARG 164 CO 0.02 0.00 -0.55 -2.13 -1.07 0.00 0.00 179.97 176.24 1i7s n ARG 165 N -2.34 -6.49 -5.09 0.04 3.00 0.97 -4.51 116.66 102.24 1i7s n ARG 165 Ca 0.01 0.68 -0.32 0.00 -0.00 0.00 0.00 57.85 58.21 1i7s n ARG 165 Cb 0.17 -5.26 -0.16 0.00 0.00 0.00 0.00 32.46 27.21 1i7s n ARG 165 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1i7s s VAL 166 N -3.26 2.40 -0.00 5.15 1.01 -0.78 -2.90 120.40 122.03 1i7s s VAL 166 Ca 0.48 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 61.40 1i7s s VAL 166 Cb -0.21 -1.93 0.02 0.00 0.00 0.00 0.00 36.38 34.26 1i7s s VAL 166 CO 0.59 0.56 0.30 0.00 0.00 0.00 0.00 175.10 176.55 1i7s s GLY 168 N -1.49 1.20 -0.09 0.00 0.00 -0.72 -1.47 107.32 104.75 1i7s s GLY 168 Ca -0.12 -1.55 -0.01 0.00 0.00 0.00 0.00 44.72 43.04 1i7s s GLY 168 CO 0.03 -1.65 -0.03 -1.36 0.00 0.00 0.00 173.10 170.08 1i7s s PHE 169 N -3.16 1.03 -0.56 1.90 2.99 0.12 -2.55 117.98 117.75 1i7s s PHE 169 Ca 0.19 -0.43 -0.03 0.00 0.00 0.00 0.00 56.93 56.65 1i7s s PHE 169 Cb 0.01 -1.00 0.13 0.00 0.00 0.00 0.00 43.02 42.16 1i7s s PHE 169 CO 0.03 -0.41 2.60 0.94 -0.00 0.00 0.00 175.22 178.37 1i7s n GLN 170 N 5.06 2.52 -3.76 0.44 -0.06 0.06 -0.08 117.38 121.56 1i7s n GLN 170 Ca -0.09 -2.63 -0.02 0.00 -2.00 0.00 0.00 57.00 52.25 1i7s n GLN 170 Cb 0.50 -2.18 -0.01 0.00 -4.06 0.00 0.00 30.24 24.49 1i7s n GLN 170 CO 0.00 0.00 0.00 -0.59 -0.20 0.00 0.00 177.06 176.27 1i7s s PHE 171 N -2.25 -0.08 -0.41 3.69 -0.12 -1.26 -4.89 117.98 112.66 1i7s s PHE 171 Ca 0.57 -0.21 -0.07 0.00 -0.05 0.00 0.00 56.93 57.17 1i7s s PHE 171 Cb 0.39 0.63 0.09 0.00 -0.63 0.00 0.00 43.02 43.50 1i7s s PHE 171 CO -0.27 -0.75 0.23 -1.01 -0.05 0.00 0.00 175.22 173.38 1i7s s HIS 172 N -2.94 3.39 -0.57 3.49 3.76 0.90 -4.34 115.29 118.98 1i7s s HIS 172 Ca 0.14 -1.78 0.23 0.00 -0.15 0.00 0.00 55.06 53.51 1i7s s HIS 172 Cb -0.00 -3.00 0.93 0.00 1.11 0.00 0.00 32.58 31.62 1i7s s HIS 172 CO 0.02 -0.89 1.71 -0.35 -0.85 0.00 0.00 174.74 174.38 1i7s n PRO 173 N 4.82 0.19 0.02 8.40 -0.04 -1.26 -2.97 135.00 144.16 1i7s n PRO 173 Ca -0.08 0.37 0.12 0.00 -0.04 0.00 0.00 63.50 63.86 1i7s n PRO 173 Cb 0.42 -1.83 0.20 0.00 -0.04 0.00 0.00 33.50 32.25 1i7s n PRO 173 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1i7s n GLU 174 N -2.17 0.12 -2.34 0.54 0.00 -1.26 -4.04 120.64 111.48 1i7s n GLU 174 Ca 0.03 0.02 -0.36 0.00 0.00 0.00 0.00 57.16 56.86 1i7s n GLU 174 Cb 0.26 -1.56 -0.01 0.00 0.00 0.00 0.00 31.44 30.12 1i7s n GLU 174 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1i7s s SER 175 N -3.47 6.08 0.55 -1.84 0.15 -1.16 -4.81 113.70 109.21 1i7s s SER 175 Ca 0.09 2.15 0.25 0.00 0.70 0.00 0.00 55.95 59.14 1i7s s SER 175 Cb 0.16 -2.58 1.47 0.00 -1.71 0.00 0.00 66.02 63.35 1i7s s SER 175 CO 0.72 -0.97 2.05 -0.29 1.20 0.00 0.00 173.24 175.95 1i7s h ILE 176 N 1.57 0.67 0.00 6.45 2.10 -1.91 -1.94 117.51 124.45 1i7s h ILE 176 Ca -0.50 0.00 -0.05 0.00 1.08 0.00 0.00 64.86 65.39 1i7s h ILE 176 Cb 1.24 0.81 -0.01 0.00 -1.09 0.00 0.00 36.82 37.78 1i7s h ILE 176 CO 0.59 0.00 -0.24 -0.07 -1.08 0.00 0.00 178.15 177.35 1i7s h LEU 177 N 0.00 0.00 -8.06 2.19 3.38 -1.92 -3.37 115.31 107.53 1i7s h LEU 177 Ca 0.15 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.45 1i7s h LEU 177 Cb 0.66 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.25 1i7s h LEU 177 CO -0.00 0.24 0.83 -0.89 0.09 0.00 0.00 178.44 178.71 1i7s s THR 178 N -4.11 4.54 0.26 0.22 2.01 -0.73 -4.40 115.64 113.43 1i7s s THR 178 Ca -0.02 -1.18 -0.02 0.00 0.31 0.00 0.00 61.69 60.78 1i7s s THR 178 Cb 0.13 -4.78 0.25 0.00 0.01 0.00 0.00 72.50 68.11 1i7s s THR 178 CO 0.65 -1.54 1.70 0.74 -0.69 0.00 0.00 174.62 175.48 1i7s h THR 179 N 5.97 0.54 -0.33 -0.82 2.02 -1.74 -2.16 112.91 116.39 1i7s h THR 179 Ca 0.05 -0.12 -0.12 0.00 0.77 0.00 0.00 66.41 66.98 1i7s h THR 179 Cb 1.03 0.14 -0.07 0.00 -1.74 0.00 0.00 68.15 67.52 1i7s h THR 179 CO 1.16 0.07 -0.01 1.41 0.37 0.00 0.00 175.52 178.51 1i7s n HIS 180 N -5.08 1.09 0.16 3.16 8.25 -1.26 -4.70 115.22 116.84 1i7s n HIS 180 Ca 0.17 -1.31 0.15 0.00 -0.26 0.00 0.00 57.72 56.46 1i7s n HIS 180 Cb 0.51 -0.43 0.72 0.00 1.12 0.00 0.00 29.99 31.91 1i7s n HIS 180 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1i7s h GLY 181 N 1.28 0.00 0.94 -1.41 0.00 -1.55 -1.71 103.07 100.63 1i7s h GLY 181 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.34 1i7s h GLY 181 CO 0.35 0.00 -0.40 0.00 0.00 0.00 0.00 176.54 176.48 1i7s h ALA 182 N 1.85 0.32 -0.20 3.60 0.00 -1.82 -0.80 119.26 122.21 1i7s h ALA 182 Ca 0.11 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1i7s h ALA 182 Cb 0.46 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1i7s h ALA 182 CO -0.00 0.42 0.12 -0.09 0.00 0.00 0.00 179.25 179.70 1i7s h ARG 183 N 0.30 0.27 -0.17 0.00 2.43 -1.79 0.31 114.38 115.73 1i7s h ARG 183 Ca 0.01 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.19 1i7s h ARG 183 Cb 1.01 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.47 1i7s h ARG 183 CO 0.09 0.22 -0.04 1.25 -1.51 0.00 0.00 179.97 179.98 1i7s h LEU 184 N 0.23 -0.17 -0.64 3.80 6.46 -1.28 0.19 115.31 123.91 1i7s h LEU 184 Ca 0.07 0.05 -0.11 0.00 -0.12 0.00 0.00 57.88 57.78 1i7s h LEU 184 Cb 0.03 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.05 1i7s h LEU 184 CO -0.01 -0.06 -0.10 0.25 -0.62 0.00 0.00 178.44 177.90 1i7s h LEU 185 N -0.00 0.96 -0.37 2.25 6.46 -0.90 0.18 115.31 123.89 1i7s h LEU 185 Ca 0.08 -0.31 -0.03 0.00 -0.12 0.00 0.00 57.88 57.51 1i7s h LEU 185 Cb 0.13 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 39.78 1i7s h LEU 185 CO -0.18 1.07 0.11 -0.08 -0.62 0.00 0.00 178.44 178.74 1i7s h GLU 186 N 0.86 0.57 0.00 1.25 4.57 -0.67 0.65 114.58 121.80 1i7s h GLU 186 Ca 0.14 -0.12 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 1i7s h GLU 186 Cb 0.65 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.15 1i7s h GLU 186 CO 0.04 0.59 -0.23 1.96 -1.18 0.00 0.00 179.01 180.20 1i7s h GLN 187 N 0.44 0.00 -0.23 1.92 4.20 -0.37 -1.93 115.11 119.14 1i7s h GLN 187 Ca 0.12 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.67 1i7s h GLN 187 Cb 0.26 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1i7s h GLN 187 CO -0.00 0.23 -0.49 1.15 -0.67 0.00 0.00 178.83 179.04 1i7s h THR 188 N 0.00 1.30 -0.34 -0.54 2.02 0.46 -1.91 112.91 113.91 1i7s h THR 188 Ca -0.00 -1.70 -0.05 0.00 0.77 0.00 0.00 66.41 65.43 1i7s h THR 188 Cb 0.61 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.65 1i7s h THR 188 CO 0.03 0.54 0.01 -0.07 0.37 0.00 0.00 175.52 176.40 1i7s h LEU 189 N 0.50 0.58 -0.26 2.58 3.38 -0.37 -1.08 115.31 120.64 1i7s h LEU 189 Ca 0.02 -0.30 0.06 0.00 0.09 0.00 0.00 57.88 57.76 1i7s h LEU 189 Cb 1.03 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 1i7s h LEU 189 CO 0.10 0.73 -0.12 0.00 0.09 0.00 0.00 178.44 179.23 1i7s h ALA 190 N 0.87 0.09 -0.65 1.53 0.00 -1.21 -1.77 119.26 118.11 1i7s h ALA 190 Ca 0.10 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1i7s h ALA 190 Cb 0.43 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1i7s h ALA 190 CO 0.01 -0.53 0.42 2.35 0.00 0.00 0.00 179.25 181.51 1i7s h TRP 191 N -0.09 0.79 -0.13 0.00 7.01 -1.30 -1.50 115.95 120.73 1i7s h TRP 191 Ca 0.14 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 61.10 1i7s h TRP 191 Cb 0.30 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.08 1i7s h TRP 191 CO -0.31 0.48 -0.17 0.00 -2.79 0.00 0.00 178.44 175.64 1i7s h ALA 192 N 1.26 1.47 -0.58 2.65 0.00 -0.44 -2.98 119.26 120.64 1i7s h ALA 192 Ca 0.25 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1i7s h ALA 192 Cb -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1i7s h ALA 192 CO -0.08 0.37 0.00 1.28 0.00 0.00 0.00 179.25 180.83 1i7s n LEU 193 N -4.24 3.44 -0.02 0.00 4.77 -0.74 -4.30 117.00 115.91 1i7s n LEU 193 Ca -0.01 -1.66 -0.07 0.00 -0.03 0.00 0.00 56.01 54.24 1i7s n LEU 193 Cb 0.29 -0.39 -0.13 0.00 -2.33 0.00 0.00 43.42 40.87 1i7s n LEU 193 CO 0.38 0.83 -0.56 0.00 -1.33 0.00 0.00 177.39 176.71 1i7s n ALA 194 N 1.40 1.61 -0.46 -1.18 0.00 -0.58 -5.04 120.51 116.26 1i7s n ALA 194 Ca 0.21 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1i7s n ALA 194 Cb 0.56 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.22 1i7s n ALA 194 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67