#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qio s VAL 2 N 0.00 5.18 0.41 3.15 1.01 -1.26 -1.05 120.40 127.85 1qio s VAL 2 Ca 0.00 -0.84 -0.24 0.00 0.00 0.00 0.00 61.98 60.90 1qio s VAL 2 Cb 0.00 -3.97 -0.08 0.00 0.00 0.00 0.00 36.38 32.33 1qio s VAL 2 CO 0.00 -0.41 1.14 -0.36 0.00 0.00 0.00 175.10 175.47 1qio s PHE 3 N 1.65 3.06 0.75 5.22 0.40 -0.23 -4.99 117.98 123.84 1qio s PHE 3 Ca 0.04 1.57 -0.11 0.00 -0.60 0.00 0.00 56.93 57.83 1qio s PHE 3 Cb -0.21 -3.34 0.04 0.00 0.51 0.00 0.00 43.02 40.02 1qio s PHE 3 CO 0.08 -1.22 1.08 0.20 0.70 0.00 0.00 175.22 176.07 1qio s GLY 4 N -1.27 1.71 0.08 4.36 0.00 -1.26 -4.82 107.32 106.12 1qio s GLY 4 Ca 0.59 0.24 -0.31 0.00 0.00 0.00 0.00 44.72 45.25 1qio s GLY 4 CO 0.35 0.58 1.64 -0.09 0.00 0.00 0.00 173.10 175.58 1qio h ARG 5 N -0.95 -0.69 -0.04 2.90 2.43 -1.96 0.22 114.38 116.29 1qio h ARG 5 Ca -0.44 0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 58.67 1qio h ARG 5 Cb 1.23 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.92 1qio h ARG 5 CO 0.53 -0.46 -0.46 0.00 -1.51 0.00 0.00 179.97 178.07 1qio h GLU 7 N 0.07 0.38 -0.43 0.00 4.81 -1.87 -1.15 114.58 116.38 1qio h GLU 7 Ca 0.00 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.06 1qio h GLU 7 Cb 0.85 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 1qio h GLU 7 CO 0.06 0.25 -0.29 1.25 -0.73 0.00 0.00 179.01 179.55 1qio h LEU 8 N 0.39 1.01 -0.61 1.64 5.85 -0.66 -2.20 115.31 120.73 1qio h LEU 8 Ca 0.14 -0.43 0.09 0.00 0.84 0.00 0.00 57.88 58.52 1qio h LEU 8 Cb 0.03 -0.28 -0.07 0.00 0.37 0.00 0.00 40.66 40.71 1qio h LEU 8 CO -0.08 1.22 0.25 0.00 -0.34 0.00 0.00 178.44 179.49 1qio h ALA 9 N 0.82 0.79 -0.53 1.25 0.00 -0.90 0.88 119.26 121.57 1qio h ALA 9 Ca 0.09 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1qio h ALA 9 Cb 0.88 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1qio h ALA 9 CO 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 179.25 179.15 1qio h ALA 10 N 1.40 0.97 -0.34 0.00 0.00 -1.06 0.20 119.26 120.43 1qio h ALA 10 Ca 0.30 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1qio h ALA 10 Cb 0.34 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1qio h ALA 10 CO -0.28 0.62 -0.36 0.00 0.00 0.00 0.00 179.25 179.23 1qio h ALA 11 N 1.14 0.50 -0.74 0.00 0.00 -0.74 -0.16 119.26 119.26 1qio h ALA 11 Ca 0.15 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1qio h ALA 11 Cb 0.52 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1qio h ALA 11 CO 0.03 0.58 0.25 0.52 0.00 0.00 0.00 179.25 180.63 1qio h MET 12 N 0.63 1.13 -0.38 0.00 2.86 -0.61 -1.67 114.93 116.89 1qio h MET 12 Ca 0.05 -0.23 -0.02 0.00 -2.06 0.00 0.00 59.70 57.44 1qio h MET 12 Cb 0.94 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.42 1qio h MET 12 CO 0.09 0.95 0.15 -0.22 1.06 0.00 0.00 176.91 178.94 1qio h LYS 13 N 1.09 0.58 -0.63 1.72 3.64 -0.87 -1.29 116.57 120.82 1qio h LYS 13 Ca 0.24 -0.11 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1qio h LYS 13 Cb 0.28 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 1qio h LYS 13 CO -0.01 0.56 0.41 -0.09 -2.27 0.00 0.00 179.45 178.05 1qio h ARG 14 N 0.48 0.76 -0.22 1.90 2.43 -0.69 -1.11 114.38 117.93 1qio h ARG 14 Ca 0.13 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 1qio h ARG 14 Cb 0.20 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1qio h ARG 14 CO -0.01 0.50 0.00 0.72 -1.51 0.00 0.00 179.97 179.67 1qio n HIS 15 N -4.46 0.26 -0.58 2.20 8.25 -0.66 -4.91 115.22 115.33 1qio n HIS 15 Ca 0.07 -0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1qio n HIS 15 Cb 0.10 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.20 1qio n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1qio n GLY 16 N 0.77 0.66 0.18 -1.41 0.00 -0.42 -4.97 105.19 100.00 1qio n GLY 16 Ca 0.06 -0.46 0.11 0.00 0.00 0.00 0.00 46.02 45.74 1qio n GLY 16 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1qio h LEU 17 N 0.00 0.00 -9.31 0.99 3.38 -1.43 -3.39 115.31 105.56 1qio h LEU 17 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1qio h LEU 17 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1qio h LEU 17 CO 0.00 0.05 1.08 -0.62 0.09 0.00 0.00 178.44 179.04 1qio s ASP 18 N -5.93 6.64 -0.78 -0.43 2.15 -1.26 -1.34 116.67 115.71 1qio s ASP 18 Ca 0.04 2.32 -0.05 0.00 0.43 0.00 0.00 52.55 55.30 1qio s ASP 18 Cb 0.07 -2.54 0.04 0.00 -0.30 0.00 0.00 42.92 40.19 1qio s ASP 18 CO 0.72 -0.93 0.18 -3.20 -0.17 0.00 0.00 175.17 171.77 1qio n ASN 19 N 6.90 -2.51 -4.70 -0.34 4.05 -0.06 -4.90 115.26 113.70 1qio n ASN 19 Ca 0.17 0.03 -0.42 0.00 0.45 0.00 0.00 54.58 54.81 1qio n ASN 19 Cb 0.42 -2.18 -0.03 0.00 1.23 0.00 0.00 39.78 39.22 1qio n ASN 19 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 177.26 173.74 1qio s TYR 20 N -2.52 2.74 -1.51 1.20 6.14 -0.45 -1.62 117.35 121.33 1qio s TYR 20 Ca 0.18 0.59 0.00 0.00 0.64 0.00 0.00 57.07 58.48 1qio s TYR 20 Cb -0.10 -3.83 0.00 0.00 0.42 0.00 0.00 41.96 38.45 1qio s TYR 20 CO 0.22 -3.20 0.00 0.54 0.64 0.00 0.00 175.55 173.75 1qio n ARG 21 N 5.09 -1.78 -0.74 4.97 5.12 -1.26 -1.60 116.66 126.46 1qio n ARG 21 Ca 0.14 0.85 0.00 0.00 -1.93 0.00 0.00 57.85 56.91 1qio n ARG 21 Cb 0.41 -5.38 0.00 0.00 -1.16 0.00 0.00 32.46 26.33 1qio n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1qio n GLY 22 N -0.72 0.74 3.53 -0.13 0.00 -0.64 -5.03 105.19 102.93 1qio n GLY 22 Ca -0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1qio n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qio s TYR 23 N -2.67 3.23 0.89 1.61 2.02 -0.63 -4.86 117.35 116.94 1qio s TYR 23 Ca 0.00 -0.22 -0.10 0.00 -0.37 0.00 0.00 57.07 56.38 1qio s TYR 23 Cb 0.00 -2.51 0.13 0.00 -0.40 0.00 0.00 41.96 39.18 1qio s TYR 23 CO 0.00 -0.39 1.13 -1.54 -1.57 0.00 0.00 175.55 173.18 1qio s SER 24 N 1.72 3.22 0.27 2.29 1.04 -1.26 -0.88 113.70 120.10 1qio s SER 24 Ca 0.07 2.05 -0.00 0.00 0.48 0.00 0.00 55.95 58.55 1qio s SER 24 Cb -0.17 -2.53 0.53 0.00 0.10 0.00 0.00 66.02 63.94 1qio s SER 24 CO 0.11 -2.89 1.79 0.25 0.98 0.00 0.00 173.24 173.48 1qio h LEU 25 N -1.72 0.67 -1.81 2.42 5.85 -1.90 -0.80 115.31 118.02 1qio h LEU 25 Ca -0.44 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1qio h LEU 25 Cb 1.26 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1qio h LEU 25 CO 0.45 0.32 0.12 1.23 -0.34 0.00 0.00 178.44 180.22 1qio h GLY 26 N 0.75 0.27 0.95 3.75 0.00 -1.91 -1.12 103.07 105.76 1qio h GLY 26 Ca 0.47 -0.10 0.02 0.00 0.00 0.00 0.00 47.33 47.72 1qio h GLY 26 CO -0.32 0.10 0.39 3.43 0.00 0.00 0.00 176.54 180.14 1qio h ASN 27 N 0.26 0.67 -0.41 0.19 2.35 -1.37 -0.11 115.58 117.15 1qio h ASN 27 Ca 0.07 -0.01 -0.09 0.00 -0.55 0.00 0.00 56.30 55.72 1qio h ASN 27 Cb -0.03 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 1qio h ASN 27 CO -0.01 0.47 -0.09 -0.50 -1.65 0.00 0.00 177.43 175.65 1qio h TRP 28 N 0.79 0.88 -0.46 1.19 4.06 -1.27 -0.95 115.95 120.19 1qio h TRP 28 Ca 0.23 -0.19 -0.09 0.00 2.06 0.00 0.00 58.89 60.91 1qio h TRP 28 Cb -0.05 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 27.88 1qio h TRP 28 CO -0.04 0.90 -0.07 0.28 -3.56 0.00 0.00 178.44 175.96 1qio h VAL 29 N 0.60 1.27 -0.63 1.49 2.07 -1.17 -1.08 116.25 118.81 1qio h VAL 29 Ca 0.11 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.45 1qio h VAL 29 Cb 0.61 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1qio h VAL 29 CO 0.04 0.40 0.37 0.00 0.02 0.00 0.00 177.57 178.40 1qio h ALA 31 N 1.18 0.49 -0.55 0.00 0.00 -0.99 -2.01 119.26 117.38 1qio h ALA 31 Ca 0.22 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1qio h ALA 31 Cb -0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1qio h ALA 31 CO -0.04 -0.00 0.18 0.00 0.00 0.00 0.00 179.25 179.39 1qio h ALA 32 N 1.09 1.28 0.03 0.00 0.00 -0.84 0.93 119.26 121.75 1qio h ALA 32 Ca 0.14 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.90 1qio h ALA 32 Cb 0.03 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1qio h ALA 32 CO -0.02 0.52 -0.19 -0.22 0.00 0.00 0.00 179.25 179.33 1qio h LYS 33 N 0.80 -0.32 0.00 0.00 1.63 -0.53 -0.38 116.57 117.76 1qio h LYS 33 Ca 0.18 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.01 1qio h LYS 33 Cb 0.22 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 31.92 1qio h LYS 33 CO -0.01 -0.21 -0.38 0.74 -3.45 0.00 0.00 179.45 176.14 1qio h PHE 34 N -0.33 0.00 0.13 1.91 0.04 -1.11 0.64 116.94 118.22 1qio h PHE 34 Ca 0.05 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.65 1qio h PHE 34 Cb 0.39 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.56 1qio h PHE 34 CO -0.23 0.00 -0.75 0.93 -0.60 0.00 0.00 178.31 177.66 1qio h GLU 35 N 0.00 0.27 0.00 1.51 4.39 -0.70 -3.43 114.58 116.62 1qio h GLU 35 Ca 0.00 -0.46 0.00 0.00 0.34 0.00 0.00 59.36 59.24 1qio h GLU 35 Cb 0.81 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 1qio h GLU 35 CO 0.00 1.22 0.00 -1.13 -1.16 0.00 0.00 179.01 177.94 1qio n SER 36 N -4.17 0.24 -3.03 1.42 3.41 -0.18 -4.84 113.62 106.47 1qio n SER 36 Ca -0.14 -0.73 -0.21 0.00 -0.26 0.00 0.00 58.87 57.53 1qio n SER 36 Cb 0.79 0.12 0.01 0.00 -0.26 0.00 0.00 64.21 64.87 1qio n SER 36 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1qio n ASN 37 N -0.12 -4.77 -0.96 4.04 5.15 0.22 -1.43 115.26 117.39 1qio n ASN 37 Ca 0.00 -0.24 -0.13 0.00 -0.60 0.00 0.00 54.58 53.62 1qio n ASN 37 Cb 0.11 -3.92 -0.05 0.00 -0.53 0.00 0.00 39.78 35.38 1qio n ASN 37 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1qio n PHE 38 N -4.07 0.00 -3.44 1.20 3.72 -1.20 -4.85 117.46 108.82 1qio n PHE 38 Ca -0.09 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.90 1qio n PHE 38 Cb 0.59 -2.33 -0.10 0.00 -0.94 0.00 0.00 39.48 36.70 1qio n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1qio s ASN 39 N -2.81 6.13 0.62 4.37 3.84 -0.51 -1.07 114.94 125.51 1qio s ASN 39 Ca 0.00 -0.48 0.36 0.00 0.21 0.00 0.00 52.86 52.95 1qio s ASN 39 Cb 0.00 -2.18 2.05 0.00 -0.55 0.00 0.00 41.25 40.58 1qio s ASN 39 CO 0.00 -0.36 2.29 0.71 -2.79 0.00 0.00 177.10 176.95 1qio h THR 40 N 5.57 0.30 -0.14 -5.21 1.35 -1.39 -2.50 112.91 110.88 1qio h THR 40 Ca -0.29 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1qio h THR 40 Cb 1.14 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 1qio h THR 40 CO 0.70 0.01 0.00 0.00 -0.25 0.00 0.00 175.52 175.97 1qio n GLN 41 N -3.50 1.79 -1.84 4.72 6.02 -1.26 -3.96 117.38 119.34 1qio n GLN 41 Ca -0.03 -1.17 -0.41 0.00 -0.01 0.00 0.00 57.00 55.38 1qio n GLN 41 Cb 0.09 -1.42 -0.01 0.00 1.02 0.00 0.00 30.24 29.91 1qio n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1qio s ALA 42 N -1.82 3.67 0.01 -1.58 0.00 -0.94 -4.79 121.76 116.31 1qio s ALA 42 Ca 0.34 1.52 0.01 0.00 0.00 0.00 0.00 51.96 53.82 1qio s ALA 42 Cb 0.19 -3.61 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 1qio s ALA 42 CO 0.28 -0.94 -0.03 0.95 0.00 0.00 0.00 175.76 176.02 1qio s THR 43 N -0.32 0.23 -0.17 0.00 -4.23 -1.26 -0.49 115.64 109.40 1qio s THR 43 Ca 0.59 -0.43 -0.07 0.00 -1.18 0.00 0.00 61.69 60.60 1qio s THR 43 Cb -0.46 -0.26 0.07 0.00 1.34 0.00 0.00 72.50 73.20 1qio s THR 43 CO 0.51 -0.14 0.37 0.20 -0.54 0.00 0.00 174.62 175.02 1qio s ASN 44 N -0.60 -0.22 0.03 3.99 -0.87 -0.56 -4.97 114.94 111.73 1qio s ASN 44 Ca -0.04 0.84 -0.30 0.00 -1.57 0.00 0.00 52.86 51.78 1qio s ASN 44 Cb -0.04 0.95 -0.04 0.00 -0.02 0.00 0.00 41.25 42.09 1qio s ASN 44 CO -0.00 -0.21 1.08 -0.60 -2.57 0.00 0.00 177.10 174.79 1qio s ARG 45 N 2.05 4.50 0.42 -0.60 6.06 -1.26 -0.33 118.95 129.78 1qio s ARG 45 Ca -0.04 1.58 -0.03 0.00 -2.50 0.00 0.00 55.73 54.74 1qio s ARG 45 Cb -0.11 -3.41 -0.03 0.00 0.06 0.00 0.00 34.95 31.46 1qio s ARG 45 CO -0.12 -0.15 0.67 -0.80 -2.50 0.00 0.00 175.30 172.41 1qio s ASN 46 N 1.04 6.28 0.51 -2.12 0.02 0.52 -4.96 114.94 116.23 1qio s ASN 46 Ca 0.55 0.70 0.18 0.00 -1.02 0.00 0.00 52.86 53.27 1qio s ASN 46 Cb -0.25 -2.15 1.26 0.00 0.02 0.00 0.00 41.25 40.14 1qio s ASN 46 CO 0.28 -0.45 2.11 0.71 0.02 0.00 0.00 177.10 179.78 1qio h THR 47 N 0.47 0.97 0.00 1.60 1.35 -1.97 -1.59 112.91 113.74 1qio h THR 47 Ca -0.48 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 1qio h THR 47 Cb 1.21 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.75 1qio h THR 47 CO 0.61 0.06 0.00 -0.90 -0.25 0.00 0.00 175.52 175.04 1qio n ASP 48 N -4.36 0.00 0.00 5.36 5.75 -1.26 -4.87 116.55 117.17 1qio n ASP 48 Ca -0.03 -1.16 0.00 0.00 -0.01 0.00 0.00 54.79 53.59 1qio n ASP 48 Cb 0.14 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 1qio n ASP 48 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qio n GLY 49 N 0.84 1.14 3.70 6.12 0.00 -0.60 -5.00 105.19 111.39 1qio n GLY 49 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 1qio n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qio s SER 50 N -2.48 2.85 0.04 1.61 1.04 -1.26 -4.73 113.70 110.76 1qio s SER 50 Ca 0.00 1.14 0.04 0.00 0.48 0.00 0.00 55.95 57.61 1qio s SER 50 Cb 0.00 -1.79 -0.02 0.00 0.10 0.00 0.00 66.02 64.31 1qio s SER 50 CO 0.00 -2.99 -0.11 -0.89 0.98 0.00 0.00 173.24 170.24 1qio s THR 51 N -3.04 0.83 -0.09 2.02 2.01 -1.26 -0.35 115.64 115.76 1qio s THR 51 Ca 0.65 -0.95 -0.05 0.00 0.31 0.00 0.00 61.69 61.65 1qio s THR 51 Cb -0.18 -0.80 -0.04 0.00 0.01 0.00 0.00 72.50 71.50 1qio s THR 51 CO 0.57 -0.13 0.14 -1.81 -0.69 0.00 0.00 174.62 172.70 1qio s ASP 52 N -1.20 6.29 -0.04 3.53 1.01 0.54 -1.28 116.67 125.53 1qio s ASP 52 Ca -0.02 0.41 0.03 0.00 0.71 0.00 0.00 52.55 53.67 1qio s ASP 52 Cb -0.08 -2.00 0.01 0.00 1.01 0.00 0.00 42.92 41.86 1qio s ASP 52 CO 0.01 0.37 -0.10 -0.31 0.21 0.00 0.00 175.17 175.34 1qio s TYR 53 N -1.10 1.11 0.00 4.23 1.51 -0.04 -1.50 117.35 121.56 1qio s TYR 53 Ca 0.18 -0.32 0.00 0.00 -1.01 0.00 0.00 57.07 55.93 1qio s TYR 53 Cb -0.12 -0.81 0.00 0.00 -0.11 0.00 0.00 41.96 40.92 1qio s TYR 53 CO 0.08 -0.15 0.00 0.41 -1.11 0.00 0.00 175.55 174.78 1qio n GLY 54 N 3.44 -2.17 0.31 0.71 0.00 0.36 -1.49 105.19 106.35 1qio n GLY 54 Ca -0.20 -1.70 0.14 0.00 0.00 0.00 0.00 46.02 44.26 1qio n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1qio h ILE 55 N 0.00 0.73 -0.04 -0.61 6.09 -1.71 -1.30 117.51 120.68 1qio h ILE 55 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1qio h ILE 55 Cb 0.00 0.90 0.00 0.00 0.47 0.00 0.00 36.82 38.19 1qio h ILE 55 CO 0.00 0.00 0.00 0.18 -3.07 0.00 0.00 178.15 175.26 1qio n LEU 56 N -4.20 2.51 -3.83 2.19 4.77 -1.26 -4.11 117.00 113.07 1qio n LEU 56 Ca 0.01 -2.90 -0.28 0.00 -0.03 0.00 0.00 56.01 52.81 1qio n LEU 56 Cb 0.26 -0.38 0.01 0.00 -2.33 0.00 0.00 43.42 40.98 1qio n LEU 56 CO 0.32 0.68 -0.15 0.00 -1.33 0.00 0.00 177.39 176.90 1qio n GLN 57 N -1.14 -2.60 -2.72 3.23 1.13 -0.49 -4.90 117.38 109.89 1qio n GLN 57 Ca 0.14 0.44 -0.41 0.00 -1.94 0.00 0.00 57.00 55.23 1qio n GLN 57 Cb 0.61 -4.39 -0.05 0.00 0.11 0.00 0.00 30.24 26.53 1qio n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1qio s ILE 58 N -3.73 4.40 0.09 5.09 1.01 -0.56 -4.37 121.20 123.13 1qio s ILE 58 Ca 0.19 2.05 -0.10 0.00 0.00 0.00 0.00 60.65 62.80 1qio s ILE 58 Cb -0.07 -4.31 -0.06 0.00 0.01 0.00 0.00 42.46 38.03 1qio s ILE 58 CO 0.87 0.34 0.41 0.21 0.00 0.00 0.00 174.94 176.78 1qio s ASN 59 N -0.18 6.64 0.00 3.58 3.84 -1.26 -0.86 114.94 126.70 1qio s ASN 59 Ca 0.46 0.80 0.30 0.00 0.21 0.00 0.00 52.86 54.63 1qio s ASN 59 Cb -0.24 -2.18 1.49 0.00 -0.55 0.00 0.00 41.25 39.77 1qio s ASN 59 CO 0.30 0.15 2.03 -1.54 -2.79 0.00 0.00 177.10 175.25 1qio n SER 60 N 0.79 0.06 0.01 -4.21 3.41 -0.41 -1.90 113.62 111.38 1qio n SER 60 Ca -0.07 -0.22 -0.09 0.00 -0.26 0.00 0.00 58.87 58.23 1qio n SER 60 Cb 0.52 -0.25 0.06 0.00 -0.26 0.00 0.00 64.21 64.28 1qio n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1qio h ARG 61 N 0.07 0.53 0.00 4.33 2.43 -1.83 -3.39 114.38 116.52 1qio h ARG 61 Ca 0.00 -0.34 -0.03 0.00 -0.81 0.00 0.00 59.98 58.80 1qio h ARG 61 Cb 0.29 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 1qio h ARG 61 CO 0.00 0.95 -1.10 0.91 -1.51 0.00 0.00 179.97 179.22 1qio n TRP 62 N -3.94 0.00 -0.05 2.20 7.02 -1.24 -0.83 117.44 120.60 1qio n TRP 62 Ca -0.03 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.41 1qio n TRP 62 Cb 0.62 -0.07 -0.09 0.00 -2.42 0.00 0.00 31.31 29.35 1qio n TRP 62 CO 0.00 0.00 0.00 0.91 -2.02 0.00 0.00 177.69 176.58 1qio n TRP 63 N -2.16 0.00 -4.14 -5.99 7.02 -0.80 -0.88 117.44 110.49 1qio n TRP 63 Ca -0.03 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.36 1qio n TRP 63 Cb 0.54 -0.50 -0.10 0.00 -2.42 0.00 0.00 31.31 28.83 1qio n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1qio s ASN 65 N -3.01 6.18 0.00 0.00 2.47 -0.23 -4.51 114.94 115.83 1qio s ASN 65 Ca 0.16 0.19 0.02 0.00 0.42 0.00 0.00 52.86 53.65 1qio s ASN 65 Cb 0.07 -2.14 0.02 0.00 -1.45 0.00 0.00 41.25 37.75 1qio s ASN 65 CO -0.03 -0.00 0.71 -0.90 -3.72 0.00 0.00 177.10 173.15 1qio n ASP 66 N 4.54 1.46 0.00 -4.21 5.68 -1.26 -0.52 116.55 122.24 1qio n ASP 66 Ca -0.13 -1.37 0.00 0.00 -0.50 0.00 0.00 54.79 52.79 1qio n ASP 66 Cb 0.52 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 1qio n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qio n GLY 67 N -0.06 0.31 1.17 6.12 0.00 -1.26 -4.80 105.19 106.67 1qio n GLY 67 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 1qio n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1qio n ARG 68 N -1.33 0.22 -3.85 1.61 1.85 -1.26 -4.95 116.66 108.95 1qio n ARG 68 Ca 0.00 -1.99 -0.29 0.00 -1.00 0.00 0.00 57.85 54.58 1qio n ARG 68 Cb 0.15 -0.32 -0.13 0.00 -1.05 0.00 0.00 32.46 31.11 1qio n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1qio s THR 69 N -0.46 2.38 0.28 8.89 2.01 -1.26 -4.84 115.64 122.64 1qio s THR 69 Ca 0.28 -3.59 -0.30 0.00 0.31 0.00 0.00 61.69 58.40 1qio s THR 69 Cb 0.31 -2.61 -0.13 0.00 0.01 0.00 0.00 72.50 70.09 1qio s THR 69 CO -0.12 -0.94 1.42 -2.65 -0.69 0.00 0.00 174.62 171.64 1qio n PRO 70 N 2.65 2.22 -0.98 4.92 -0.02 -1.26 -1.54 135.00 140.99 1qio n PRO 70 Ca 0.14 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 1qio n PRO 70 Cb 0.35 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 1qio n PRO 70 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qio n GLY 71 N 1.74 0.55 3.91 -1.23 0.00 -1.26 -5.01 105.19 103.89 1qio n GLY 71 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 1qio n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qio s SER 72 N -2.23 5.08 0.53 1.61 1.04 -0.59 -5.05 113.70 114.08 1qio s SER 72 Ca 0.00 0.76 0.05 0.00 0.48 0.00 0.00 55.95 57.24 1qio s SER 72 Cb 0.00 -1.49 0.03 0.00 0.10 0.00 0.00 66.02 64.66 1qio s SER 72 CO 0.00 -1.49 0.35 -0.13 0.98 0.00 0.00 173.24 172.95 1qio s ARG 73 N -5.30 2.25 -0.38 4.02 1.81 -0.01 -5.00 118.95 116.35 1qio s ARG 73 Ca 0.59 -2.05 0.10 0.00 -1.72 0.00 0.00 55.73 52.66 1qio s ARG 73 Cb -0.11 -2.03 0.32 0.00 -0.45 0.00 0.00 34.95 32.68 1qio s ARG 73 CO 0.48 -0.56 0.72 -1.71 -0.68 0.00 0.00 175.30 173.55 1qio n ASN 74 N -1.68 0.33 0.24 0.23 5.15 -1.14 -3.80 115.26 114.60 1qio n ASN 74 Ca -0.04 -3.00 0.16 0.00 -0.60 0.00 0.00 54.58 51.10 1qio n ASN 74 Cb 0.65 -0.36 0.57 0.00 -0.53 0.00 0.00 39.78 40.10 1qio n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1qio h LEU 75 N 3.25 0.00 -0.27 1.20 3.38 -1.00 -0.96 115.31 120.92 1qio h LEU 75 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1qio h LEU 75 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1qio h LEU 75 CO 0.46 0.00 -0.12 0.00 0.09 0.00 0.00 178.44 178.87 1qio n ASN 77 N -0.91 -1.86 -3.80 0.00 3.02 -0.36 -4.99 115.26 106.36 1qio n ASN 77 Ca 0.14 -0.72 -0.12 0.00 -0.03 0.00 0.00 54.58 53.86 1qio n ASN 77 Cb 0.28 -4.64 -0.08 0.00 -0.61 0.00 0.00 39.78 34.73 1qio n ASN 77 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 1qio s ILE 78 N -3.50 0.08 0.35 2.41 -4.36 -1.26 -5.07 121.20 109.85 1qio s ILE 78 Ca 0.02 -0.69 -0.27 0.00 -0.26 0.00 0.00 60.65 59.45 1qio s ILE 78 Cb -0.00 -0.78 -0.09 0.00 1.25 0.00 0.00 42.46 42.83 1qio s ILE 78 CO 0.77 -0.38 1.21 -2.16 0.24 0.00 0.00 174.94 174.62 1qio s PRO 79 N -2.08 4.28 0.52 0.37 0.04 -1.26 -1.06 135.00 135.82 1qio s PRO 79 Ca -0.09 1.99 0.19 0.00 0.04 0.00 0.00 61.00 63.14 1qio s PRO 79 Cb -0.03 -2.94 1.32 0.00 0.04 0.00 0.00 34.50 32.90 1qio s PRO 79 CO -0.01 -0.17 2.10 0.00 0.04 0.00 0.00 177.00 178.96 1qio h SER 81 N 0.00 0.00 0.51 0.00 4.64 -1.91 -0.41 113.55 116.39 1qio h SER 81 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1qio h SER 81 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1qio h SER 81 CO -0.00 0.04 0.00 0.00 -0.87 0.00 0.00 176.83 176.00 1qio h ALA 82 N 1.96 1.00 -0.00 5.18 0.00 -1.34 -1.41 119.26 124.64 1qio h ALA 82 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qio h ALA 82 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1qio h ALA 82 CO 0.01 0.00 -0.01 1.28 0.00 0.00 0.00 179.25 180.53 1qio n LEU 83 N -2.53 0.23 -0.64 0.00 4.77 -0.16 -3.51 117.00 115.16 1qio n LEU 83 Ca 0.00 -0.05 0.09 0.00 -0.03 0.00 0.00 56.01 56.02 1qio n LEU 83 Cb 0.17 -0.03 0.06 0.00 -2.33 0.00 0.00 43.42 41.29 1qio n LEU 83 CO 0.19 0.04 0.48 0.18 -1.33 0.00 0.00 177.39 176.94 1qio n LEU 84 N -0.86 2.31 -4.73 2.23 4.77 -0.53 -3.85 117.00 116.35 1qio n LEU 84 Ca 0.22 -0.96 -0.33 0.00 -0.03 0.00 0.00 56.01 54.91 1qio n LEU 84 Cb 0.16 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.35 1qio n LEU 84 CO 0.18 0.41 0.75 -0.55 -1.33 0.00 0.00 177.39 176.86 1qio s SER 85 N -1.55 4.22 0.56 -1.43 0.15 -1.23 -4.17 113.70 110.25 1qio s SER 85 Ca 0.19 2.18 0.33 0.00 0.70 0.00 0.00 55.95 59.35 1qio s SER 85 Cb 0.14 -2.57 1.61 0.00 -1.71 0.00 0.00 66.02 63.50 1qio s SER 85 CO 0.25 -2.23 2.10 0.77 1.20 0.00 0.00 173.24 175.33 1qio h SER 86 N -0.58 0.00 -3.51 5.45 4.64 -1.94 -3.40 113.55 114.21 1qio h SER 86 Ca -0.46 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.25 1qio h SER 86 Cb 1.27 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.25 1qio h SER 86 CO 0.49 0.07 0.39 -0.62 -0.87 0.00 0.00 176.83 176.29 1qio s ASP 87 N -5.82 6.58 0.00 4.97 -1.08 -1.26 -4.96 116.67 115.11 1qio s ASP 87 Ca -0.02 0.43 0.16 0.00 -0.52 0.00 0.00 52.55 52.60 1qio s ASP 87 Cb 0.12 -2.40 0.78 0.00 -1.46 0.00 0.00 42.92 39.96 1qio s ASP 87 CO 0.54 -0.71 1.53 2.30 0.52 0.00 0.00 175.17 179.35 1qio n ILE 88 N 5.74 0.10 -0.17 4.11 -5.35 -1.26 -4.33 119.36 118.20 1qio n ILE 88 Ca 0.03 -0.14 -0.02 0.00 -0.27 0.00 0.00 62.75 62.36 1qio n ILE 88 Cb 0.48 -0.01 0.07 0.00 -1.74 0.00 0.00 39.64 38.44 1qio n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1qio h THR 89 N 0.82 0.62 -0.58 7.28 2.02 -1.94 0.34 112.91 121.47 1qio h THR 89 Ca 0.00 -0.05 -0.11 0.00 0.77 0.00 0.00 66.41 67.02 1qio h THR 89 Cb 0.18 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 1qio h THR 89 CO 0.00 0.03 -0.06 0.00 0.37 0.00 0.00 175.52 175.85 1qio h ALA 90 N 1.45 0.79 -0.69 6.16 0.00 -1.85 0.05 119.26 125.18 1qio h ALA 90 Ca 0.26 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1qio h ALA 90 Cb 0.39 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1qio h ALA 90 CO -0.41 0.67 0.27 0.77 0.00 0.00 0.00 179.25 180.55 1qio h SER 91 N 0.95 0.95 -0.33 0.00 0.02 -1.62 -1.25 113.55 112.28 1qio h SER 91 Ca 0.16 -0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 60.87 1qio h SER 91 Cb 0.63 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 1qio h SER 91 CO 0.04 0.87 -0.02 0.58 -1.14 0.00 0.00 176.83 177.16 1qio h VAL 92 N 0.98 1.26 -0.89 2.27 2.07 -0.51 -0.01 116.25 121.42 1qio h VAL 92 Ca 0.23 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.75 1qio h VAL 92 Cb 0.21 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1qio h VAL 92 CO -0.02 0.33 0.58 0.78 0.02 0.00 0.00 177.57 179.26 1qio h ASN 93 N 0.38 1.03 -0.23 0.57 2.35 -0.88 -0.48 115.58 118.33 1qio h ASN 93 Ca 0.09 -0.03 -0.19 0.00 -0.55 0.00 0.00 56.30 55.61 1qio h ASN 93 Cb 0.48 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1qio h ASN 93 CO 0.02 0.75 -0.62 0.00 -1.65 0.00 0.00 177.43 175.94 1qio h ALA 95 N 0.62 1.61 -0.91 0.00 0.00 -0.51 -0.42 119.26 119.65 1qio h ALA 95 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1qio h ALA 95 Cb 1.23 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 1qio h ALA 95 CO 0.13 0.22 0.58 0.87 0.00 0.00 0.00 179.25 181.06 1qio h LYS 96 N 0.91 1.22 -0.47 0.00 1.57 -0.98 -0.14 116.57 118.67 1qio h LYS 96 Ca 0.40 -0.09 -0.05 0.00 -1.87 0.00 0.00 60.65 59.04 1qio h LYS 96 Cb 0.35 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1qio h LYS 96 CO -0.16 0.82 0.08 0.87 -0.57 0.00 0.00 179.45 180.49 1qio h LYS 97 N 1.24 0.77 -0.41 3.15 1.57 -0.99 -2.87 116.57 119.03 1qio h LYS 97 Ca 0.33 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 1qio h LYS 97 Cb -0.11 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 1qio h LYS 97 CO -0.07 0.78 0.16 0.82 -0.57 0.00 0.00 179.45 180.57 1qio h ILE 98 N 0.64 1.20 0.00 1.86 2.04 -0.67 -2.23 117.51 120.34 1qio h ILE 98 Ca 0.14 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1qio h ILE 98 Cb 0.37 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1qio h ILE 98 CO 0.01 0.22 0.00 0.55 0.00 0.00 0.00 178.15 178.93 1qio n VAL 99 N -4.63 0.75 1.33 1.67 3.14 -0.11 -1.79 118.33 118.69 1qio n VAL 99 Ca 0.00 0.17 0.13 0.00 -2.96 0.00 0.00 64.34 61.68 1qio n VAL 99 Cb 0.15 -0.90 0.40 0.00 -1.06 0.00 0.00 33.84 32.43 1qio n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1qio n SER 100 N -1.65 1.44 0.00 6.55 7.64 -0.85 -3.74 113.62 123.00 1qio n SER 100 Ca 0.04 -1.28 0.13 0.00 1.01 0.00 0.00 58.87 58.77 1qio n SER 100 Cb 0.23 0.08 0.57 0.00 -1.01 0.00 0.00 64.21 64.08 1qio n SER 100 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1qio n ASP 101 N -0.10 0.00 0.00 6.43 2.03 -0.74 -4.89 116.55 119.28 1qio n ASP 101 Ca 0.15 0.47 0.00 0.00 0.52 0.00 0.00 54.79 55.93 1qio n ASP 101 Cb 0.38 -0.49 0.00 0.00 -0.72 0.00 0.00 41.12 40.29 1qio n ASP 101 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qio n GLY 102 N 1.22 3.54 1.07 0.27 0.00 -1.26 -4.96 105.19 105.07 1qio n GLY 102 Ca 0.07 -0.61 0.08 0.00 0.00 0.00 0.00 46.02 45.56 1qio n GLY 102 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qio n ASN 103 N 0.00 3.89 0.00 1.61 3.02 -1.26 -5.07 115.26 117.45 1qio n ASN 103 Ca 0.00 -2.45 0.00 0.00 -0.03 0.00 0.00 54.58 52.10 1qio n ASN 103 Cb 0.00 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 38.72 1qio n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qio n GLY 104 N 0.46 2.22 0.00 7.41 0.00 -1.25 -2.02 105.19 112.00 1qio n GLY 104 Ca 0.20 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 45.89 1qio n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1qio n MET 105 N 8.62 0.56 0.27 1.61 2.81 -1.26 -2.89 117.12 126.84 1qio n MET 105 Ca 0.00 0.03 0.19 0.00 -1.81 0.00 0.00 57.70 56.10 1qio n MET 105 Cb 0.00 -1.50 0.97 0.00 -0.71 0.00 0.00 33.22 31.98 1qio n MET 105 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 1qio h ASN 106 N 0.00 0.00 -0.64 7.83 2.35 -1.82 -1.19 115.58 122.11 1qio h ASN 106 Ca 0.00 0.00 0.17 0.00 -0.55 0.00 0.00 56.30 55.92 1qio h ASN 106 Cb 0.13 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 1qio h ASN 106 CO 0.00 0.00 0.45 0.00 -1.65 0.00 0.00 177.43 176.23 1qio h ALA 107 N 2.01 2.47 -1.92 -0.83 0.00 -1.69 -3.32 119.26 115.97 1qio h ALA 107 Ca 0.00 -0.02 -0.68 0.00 0.00 0.00 0.00 54.91 54.22 1qio h ALA 107 Cb 0.06 0.02 -0.18 0.00 0.00 0.00 0.00 17.79 17.69 1qio h ALA 107 CO 0.00 -0.65 0.19 -1.58 0.00 0.00 0.00 179.25 177.21 1qio s TRP 108 N -5.10 2.95 0.30 0.00 0.51 -0.45 -4.93 118.94 112.22 1qio s TRP 108 Ca -0.06 -0.70 0.02 0.00 -2.12 0.00 0.00 56.10 53.24 1qio s TRP 108 Cb 0.20 -3.91 0.57 0.00 -0.81 0.00 0.00 33.47 29.53 1qio s TRP 108 CO 0.75 -1.27 1.88 0.28 -0.51 0.00 0.00 176.95 178.08 1qio h VAL 109 N 5.92 0.99 -0.34 4.03 2.07 -1.83 -0.64 116.25 126.45 1qio h VAL 109 Ca -0.29 -0.34 -0.06 0.00 0.82 0.00 0.00 66.70 66.83 1qio h VAL 109 Cb 1.09 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1qio h VAL 109 CO 1.07 0.18 -0.06 0.00 0.02 0.00 0.00 177.57 178.78 1qio h ALA 110 N 1.53 1.26 -0.03 1.67 0.00 -1.92 0.71 119.26 122.48 1qio h ALA 110 Ca 0.43 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1qio h ALA 110 Cb 0.36 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1qio h ALA 110 CO -0.19 0.49 0.02 2.35 0.00 0.00 0.00 179.25 181.92 1qio h TRP 111 N 0.52 0.05 -0.58 0.00 7.01 -1.45 -0.19 115.95 121.32 1qio h TRP 111 Ca 0.10 -0.00 0.01 0.00 2.11 0.00 0.00 58.89 61.11 1qio h TRP 111 Cb 0.43 -0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 27.44 1qio h TRP 111 CO 0.02 0.09 0.38 -0.09 -2.79 0.00 0.00 178.44 176.05 1qio h ARG 112 N -0.01 0.76 0.00 2.65 2.43 -0.63 0.13 114.38 119.69 1qio h ARG 112 Ca 0.01 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1qio h ARG 112 Cb 0.06 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.44 1qio h ARG 112 CO -0.00 0.50 -0.07 -0.91 -1.51 0.00 0.00 179.97 177.98 1qio h ASN 113 N 0.78 0.00 0.00 -3.80 2.35 -0.80 -3.36 115.58 110.75 1qio h ASN 113 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 1qio h ASN 113 Cb -0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.28 1qio h ASN 113 CO -0.05 0.07 -0.52 0.54 -1.65 0.00 0.00 177.43 175.81 1qio n ARG 114 N -3.12 2.61 -0.02 0.81 1.74 -0.09 -4.90 116.66 113.69 1qio n ARG 114 Ca 0.04 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.08 1qio n ARG 114 Cb 0.56 -0.73 -0.02 0.00 -1.02 0.00 0.00 32.46 31.24 1qio n ARG 114 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qio n LYS 116 N -2.74 2.05 -0.65 0.00 4.81 0.23 -1.37 118.16 120.48 1qio n LYS 116 Ca -0.08 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.10 1qio n LYS 116 Cb 0.58 -2.51 0.00 0.00 0.02 0.00 0.00 35.03 33.11 1qio n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qio n GLY 117 N 3.58 1.50 4.00 3.14 0.00 -1.26 -4.97 105.19 111.18 1qio n GLY 117 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 1qio n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qio s THR 118 N -3.58 2.52 -1.26 2.61 -4.23 -0.47 -4.97 115.64 106.26 1qio s THR 118 Ca 0.00 -0.79 -0.18 0.00 -1.18 0.00 0.00 61.69 59.54 1qio s THR 118 Cb 0.00 -2.73 -0.00 0.00 1.34 0.00 0.00 72.50 71.11 1qio s THR 118 CO 0.00 0.00 2.01 -0.67 -0.54 0.00 0.00 174.62 175.42 1qio n ASP 119 N -2.32 3.83 0.28 3.99 2.03 -1.26 -4.75 116.55 118.35 1qio n ASP 119 Ca 0.11 -2.82 0.16 0.00 0.52 0.00 0.00 54.79 52.77 1qio n ASP 119 Cb 0.60 -1.59 0.73 0.00 -0.72 0.00 0.00 41.12 40.14 1qio n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1qio h VAL 120 N 4.76 0.16 0.00 5.18 -1.51 -1.90 -2.17 116.25 120.77 1qio h VAL 120 Ca 0.47 -0.54 -0.00 0.00 -1.23 0.00 0.00 66.70 65.40 1qio h VAL 120 Cb 0.74 1.46 -0.00 0.00 -2.13 0.00 0.00 31.29 31.36 1qio h VAL 120 CO 1.71 0.05 -0.00 -0.61 -1.23 0.00 0.00 177.57 177.49 1qio h GLN 121 N 0.00 0.00 -0.67 5.19 -0.00 -1.87 -1.56 115.11 116.20 1qio h GLN 121 Ca -0.00 0.00 0.17 0.00 -0.00 0.00 0.00 58.65 58.82 1qio h GLN 121 Cb 0.46 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.90 1qio h GLN 121 CO 0.01 0.00 0.47 0.00 0.00 0.00 0.00 178.83 179.31 1qio h ALA 122 N 2.00 2.47 0.00 3.38 0.00 -1.79 -1.87 119.26 123.45 1qio h ALA 122 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1qio h ALA 122 Cb 0.01 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1qio h ALA 122 CO 0.00 -0.66 0.00 -1.49 0.00 0.00 0.00 179.25 177.10 1qio h TRP 123 N 0.11 0.00 -0.20 0.00 4.06 -1.50 -2.33 115.95 116.09 1qio h TRP 123 Ca 0.32 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.27 1qio h TRP 123 Cb 1.12 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.28 1qio h TRP 123 CO -0.00 0.00 0.00 0.44 -3.56 0.00 0.00 178.44 175.32 1qio n ILE 124 N -2.45 1.37 -2.12 1.49 -5.35 -0.71 -4.80 119.36 106.78 1qio n ILE 124 Ca 0.01 -1.33 -0.41 0.00 -0.27 0.00 0.00 62.75 60.76 1qio n ILE 124 Cb 0.21 0.26 -0.02 0.00 -1.74 0.00 0.00 39.64 38.35 1qio n ILE 124 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1qio s ARG 125 N -1.60 4.36 0.00 6.28 0.52 -0.88 -2.27 118.95 125.36 1qio s ARG 125 Ca 0.22 2.21 0.00 0.00 -0.52 0.00 0.00 55.73 57.64 1qio s ARG 125 Cb 0.15 -3.08 0.00 0.00 0.52 0.00 0.00 34.95 32.55 1qio s ARG 125 CO 0.09 -0.18 0.00 0.41 0.02 0.00 0.00 175.30 175.63 1qio n GLY 126 N 0.87 2.97 3.75 -3.53 0.00 -1.26 -5.01 105.19 102.98 1qio n GLY 126 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1qio n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qio s ARG 128 N -0.82 3.27 0.00 0.00 6.06 -1.26 -5.12 118.95 121.09 1qio s ARG 128 Ca 0.42 -0.43 0.00 0.00 -2.50 0.00 0.00 55.73 53.21 1qio s ARG 128 Cb -0.25 -4.01 0.00 0.00 0.06 0.00 0.00 34.95 30.75 1qio s ARG 128 CO 0.30 -1.19 0.19 1.28 -2.50 0.00 0.00 175.30 173.38