#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sk6 h GLU 6 N 0.00 0.00 0.51 -0.78 4.81 -2.06 0.15 114.58 117.21 1sk6 h GLU 6 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1sk6 h GLU 6 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1sk6 h GLU 6 CO 0.00 0.00 -0.24 0.93 -0.73 0.00 0.00 179.01 178.97 1sk6 h GLU 7 N 0.00 -0.66 -1.80 1.92 4.39 -2.06 -2.47 114.58 113.90 1sk6 h GLU 7 Ca 0.26 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.00 1sk6 h GLU 7 Cb 1.70 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.50 1sk6 h GLU 7 CO -0.00 -0.35 0.00 1.04 -1.16 0.00 0.00 179.01 178.53 1sk6 n GLN 8 N -5.29 0.36 0.16 2.33 6.02 0.04 -3.20 117.38 117.81 1sk6 n GLN 8 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.88 1sk6 n GLN 8 Cb 0.32 -1.32 0.00 0.00 1.02 0.00 0.00 30.24 30.26 1sk6 n GLN 8 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1sk6 n ILE 9 N 1.28 0.00 -0.10 5.09 5.41 -1.16 -4.90 119.36 124.97 1sk6 n ILE 9 Ca 0.00 0.00 0.11 0.00 1.00 0.00 0.00 62.75 63.86 1sk6 n ILE 9 Cb 0.18 -0.33 0.47 0.00 -0.71 0.00 0.00 39.64 39.25 1sk6 n ILE 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1sk6 h ALA 10 N 0.00 1.94 -0.00 -1.39 0.00 -1.43 -3.13 119.26 115.25 1sk6 h ALA 10 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1sk6 h ALA 10 Cb 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1sk6 h ALA 10 CO 0.00 -0.07 -0.00 0.93 0.00 0.00 0.00 179.25 180.11 1sk6 h GLU 11 N 0.48 -0.00 -0.67 0.00 5.08 -1.81 -1.77 114.58 115.89 1sk6 h GLU 11 Ca 0.28 0.00 0.28 0.00 -1.00 0.00 0.00 59.36 58.92 1sk6 h GLU 11 Cb 0.48 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.61 1sk6 h GLU 11 CO -0.08 -0.00 0.35 1.19 -1.00 0.00 0.00 179.01 179.46 1sk6 n PHE 12 N -2.70 0.77 0.20 4.33 3.72 -1.18 0.33 117.46 122.93 1sk6 n PHE 12 Ca -0.00 0.79 0.07 0.00 -0.05 0.00 0.00 57.45 58.26 1sk6 n PHE 12 Cb 0.00 -1.21 0.40 0.00 -0.94 0.00 0.00 39.48 37.73 1sk6 n PHE 12 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1sk6 h LYS 13 N 0.00 0.00 0.03 -1.08 3.64 -1.46 -1.37 116.57 116.34 1sk6 h LYS 13 Ca 0.56 0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.67 1sk6 h LYS 13 Cb 1.48 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.32 1sk6 h LYS 13 CO -0.52 0.00 -1.10 0.93 -2.27 0.00 0.00 179.45 176.50 1sk6 h GLU 14 N 0.00 0.67 -0.38 1.90 4.39 -0.28 -3.34 114.58 117.53 1sk6 h GLU 14 Ca 0.00 -0.76 0.05 0.00 0.34 0.00 0.00 59.36 58.98 1sk6 h GLU 14 Cb 0.73 0.23 -0.04 0.00 -0.10 0.00 0.00 28.75 29.56 1sk6 h GLU 14 CO 0.00 1.33 0.13 0.00 -1.16 0.00 0.00 179.01 179.31 1sk6 h ALA 15 N 0.39 0.44 -0.94 3.43 0.00 -1.45 -1.90 119.26 119.24 1sk6 h ALA 15 Ca -0.14 0.05 0.27 0.00 0.00 0.00 0.00 54.91 55.08 1sk6 h ALA 15 Cb 1.76 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.53 1sk6 h ALA 15 CO 0.21 -0.26 0.67 0.74 0.00 0.00 0.00 179.25 180.61 1sk6 h PHE 16 N 0.29 0.07 -0.00 0.00 -1.00 -1.69 0.28 116.94 114.89 1sk6 h PHE 16 Ca 0.17 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.96 1sk6 h PHE 16 Cb 0.16 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.69 1sk6 h PHE 16 CO -0.15 0.01 -0.23 0.43 -1.61 0.00 0.00 178.31 176.77 1sk6 n SER 17 N -4.29 0.55 0.13 2.17 7.64 -0.72 -4.21 113.62 114.88 1sk6 n SER 17 Ca 0.20 -0.43 -0.23 0.00 1.01 0.00 0.00 58.87 59.42 1sk6 n SER 17 Cb 0.97 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 64.02 1sk6 n SER 17 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1sk6 h LEU 18 N 0.50 0.75 -6.48 -3.43 3.38 -0.36 -3.47 115.31 106.20 1sk6 h LEU 18 Ca 0.00 -0.84 0.13 0.00 0.09 0.00 0.00 57.88 57.26 1sk6 h LEU 18 Cb 0.45 -0.24 -0.22 0.00 0.09 0.00 0.00 40.66 40.74 1sk6 h LEU 18 CO 0.00 1.67 -0.03 0.12 0.09 0.00 0.00 178.44 180.29 1sk6 s PHE 19 N -2.61 -1.11 0.00 1.13 2.19 -1.24 -5.11 117.98 111.23 1sk6 s PHE 19 Ca -0.09 1.62 0.00 0.00 0.33 0.00 0.00 56.93 58.79 1sk6 s PHE 19 Cb 0.05 0.55 0.00 0.00 -1.31 0.00 0.00 43.02 42.31 1sk6 s PHE 19 CO 0.92 -0.58 0.00 -3.47 1.83 0.00 0.00 175.22 173.93 1sk6 n ASP 20 N 5.31 0.00 -1.64 6.13 4.64 -1.26 -4.95 116.55 124.77 1sk6 n ASP 20 Ca -0.08 0.00 -0.05 0.00 -1.38 0.00 0.00 54.79 53.29 1sk6 n ASP 20 Cb 0.51 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 40.57 1sk6 n ASP 20 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1sk6 n LYS 21 N 0.00 1.28 -0.00 -0.67 4.76 -1.26 -3.94 118.16 118.32 1sk6 n LYS 21 Ca 0.00 -0.40 -0.12 0.00 -2.87 0.00 0.00 58.31 54.92 1sk6 n LYS 21 Cb 0.00 -1.25 -0.14 0.00 -1.84 0.00 0.00 35.03 31.81 1sk6 n LYS 21 CO 0.00 0.00 0.00 0.38 -1.37 0.00 0.00 177.40 176.41 1sk6 h ASP 22 N 1.38 0.12 0.00 4.39 2.03 -1.97 -3.49 116.42 118.88 1sk6 h ASP 22 Ca 0.07 -0.24 0.00 0.00 -0.73 0.00 0.00 57.03 56.14 1sk6 h ASP 22 Cb 1.05 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 39.51 1sk6 h ASP 22 CO 0.15 1.21 0.00 0.61 -1.03 0.00 0.00 179.24 180.18 1sk6 n GLY 23 N 1.64 2.60 2.61 7.15 0.00 -1.25 -4.96 105.19 112.97 1sk6 n GLY 23 Ca -0.19 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 44.90 1sk6 n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sk6 s ASP 24 N 0.00 2.56 -0.03 1.61 1.01 -1.26 -5.03 116.67 115.54 1sk6 s ASP 24 Ca 0.00 -1.41 -0.00 0.00 0.71 0.00 0.00 52.55 51.85 1sk6 s ASP 24 Cb 0.00 -0.00 0.00 0.00 1.01 0.00 0.00 42.92 43.93 1sk6 s ASP 24 CO 0.00 -0.37 0.00 0.61 0.21 0.00 0.00 175.17 175.62 1sk6 n GLY 25 N 4.83 -0.39 3.15 0.21 0.00 -1.26 -5.02 105.19 106.71 1sk6 n GLY 25 Ca 0.02 0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.14 1sk6 n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sk6 s THR 26 N -0.92 -0.66 0.00 2.61 2.01 -1.18 -4.39 115.64 113.11 1sk6 s THR 26 Ca -0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 1sk6 s THR 26 Cb 0.00 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.64 1sk6 s THR 26 CO 0.07 0.00 0.00 2.30 -0.69 0.00 0.00 174.62 176.30 1sk6 n ILE 27 N 5.39 0.00 -4.21 1.82 -5.35 -1.26 -4.51 119.36 111.24 1sk6 n ILE 27 Ca 0.00 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.36 1sk6 n ILE 27 Cb 0.54 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.34 1sk6 n ILE 27 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1sk6 s THR 28 N -0.49 0.95 -0.08 7.28 -4.23 -1.26 -3.81 115.64 114.00 1sk6 s THR 28 Ca 0.00 -1.99 0.21 0.00 -1.18 0.00 0.00 61.69 58.73 1sk6 s THR 28 Cb 0.00 -1.76 0.21 0.00 1.34 0.00 0.00 72.50 72.29 1sk6 s THR 28 CO 0.00 -0.80 1.61 0.74 -0.54 0.00 0.00 174.62 175.63 1sk6 h THR 29 N 2.89 0.00 0.40 3.99 2.02 -1.94 -2.03 112.91 118.24 1sk6 h THR 29 Ca -0.36 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 1sk6 h THR 29 Cb 1.18 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1sk6 h THR 29 CO 0.64 0.00 -0.19 0.11 0.37 0.00 0.00 175.52 176.44 1sk6 h LYS 30 N 0.00 -0.52 -1.11 6.66 1.57 -2.00 -3.28 116.57 117.89 1sk6 h LYS 30 Ca 0.00 0.04 -0.49 0.00 -1.87 0.00 0.00 60.65 58.32 1sk6 h LYS 30 Cb 0.17 0.12 -0.24 0.00 0.08 0.00 0.00 32.23 32.36 1sk6 h LYS 30 CO 0.00 -0.35 0.63 -0.85 -0.57 0.00 0.00 179.45 178.32 1sk6 n GLU 31 N -4.13 2.21 0.03 3.15 0.28 -0.96 -4.32 120.64 116.91 1sk6 n GLU 31 Ca -0.07 -2.55 -0.19 0.00 -0.16 0.00 0.00 57.16 54.20 1sk6 n GLU 31 Cb 0.21 -2.00 -0.12 0.00 1.43 0.00 0.00 31.44 30.96 1sk6 n GLU 31 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1sk6 h LEU 32 N 1.70 0.56 -0.99 -1.84 5.85 -1.44 -3.19 115.31 115.96 1sk6 h LEU 32 Ca 0.50 -0.83 0.15 0.00 0.84 0.00 0.00 57.88 58.53 1sk6 h LEU 32 Cb 1.54 -0.18 -0.09 0.00 0.37 0.00 0.00 40.66 42.30 1sk6 h LEU 32 CO 1.12 1.34 0.60 1.23 -0.34 0.00 0.00 178.44 182.39 1sk6 h GLY 33 N -0.13 1.67 -1.94 3.75 0.00 -1.80 0.50 103.07 105.11 1sk6 h GLY 33 Ca -0.11 -0.39 0.56 0.00 0.00 0.00 0.00 47.33 47.40 1sk6 h GLY 33 CO 0.15 0.06 1.40 2.41 0.00 0.00 0.00 176.54 180.55 1sk6 n THR 34 N -4.70 -0.01 -0.08 4.70 -1.04 -1.21 0.35 114.28 112.30 1sk6 n THR 34 Ca 0.20 1.47 -0.12 0.00 -2.04 0.00 0.00 64.05 63.57 1sk6 n THR 34 Cb 0.44 -2.45 -0.06 0.00 -1.82 0.00 0.00 70.33 66.43 1sk6 n THR 34 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1sk6 h VAL 35 N 0.00 0.51 0.00 12.58 2.07 -1.07 -3.19 116.25 127.15 1sk6 h VAL 35 Ca 0.93 -1.59 -0.02 0.00 0.82 0.00 0.00 66.70 66.84 1sk6 h VAL 35 Cb 3.71 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 34.65 1sk6 h VAL 35 CO -0.02 0.17 -0.11 0.24 0.02 0.00 0.00 177.57 177.88 1sk6 h MET 36 N -1.00 0.00 -0.01 1.57 2.86 -0.27 0.17 114.93 118.25 1sk6 h MET 36 Ca -0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1sk6 h MET 36 Cb 0.82 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.48 1sk6 h MET 36 CO -0.09 0.11 -0.03 0.54 1.06 0.00 0.00 176.91 178.51 1sk6 n ARG 37 N -3.65 1.47 -0.02 1.72 1.74 1.10 -2.62 116.66 116.39 1sk6 n ARG 37 Ca -0.02 -0.77 0.02 0.00 -0.77 0.00 0.00 57.85 56.31 1sk6 n ARG 37 Cb 0.22 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 30.09 1sk6 n ARG 37 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1sk6 n SER 38 N -0.10 2.31 0.00 0.55 3.41 0.07 -4.93 113.62 114.95 1sk6 n SER 38 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1sk6 n SER 38 Cb 0.32 1.26 0.00 0.00 -0.26 0.00 0.00 64.21 65.53 1sk6 n SER 38 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1sk6 n LEU 39 N -2.09 0.00 -2.67 1.04 7.94 0.38 -5.00 117.00 116.61 1sk6 n LEU 39 Ca -0.08 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.74 1sk6 n LEU 39 Cb 0.51 0.00 0.04 0.00 0.53 0.00 0.00 43.42 44.49 1sk6 n LEU 39 CO 0.24 0.00 -0.02 0.61 -1.11 0.00 0.00 177.39 177.11 1sk6 n GLY 40 N 5.00 2.46 2.99 -3.96 0.00 -1.25 -5.05 105.19 105.38 1sk6 n GLY 40 Ca 0.00 -1.43 -0.11 0.00 0.00 0.00 0.00 46.02 44.47 1sk6 n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sk6 s GLN 41 N -3.52 0.22 -0.48 1.61 -0.21 -1.08 -5.05 119.66 111.16 1sk6 s GLN 41 Ca 0.31 -0.16 0.04 0.00 0.02 0.00 0.00 55.36 55.57 1sk6 s GLN 41 Cb 0.39 0.09 0.13 0.00 1.00 0.00 0.00 33.01 34.61 1sk6 s GLN 41 CO -0.01 -0.04 0.22 -0.80 -2.12 0.00 0.00 175.29 172.54 1sk6 s ASN 42 N -0.59 4.24 0.29 5.90 0.01 -1.26 -4.08 114.94 119.47 1sk6 s ASN 42 Ca -0.07 -2.79 0.04 0.00 -0.71 0.00 0.00 52.86 49.33 1sk6 s ASN 42 Cb -0.04 -1.51 0.04 0.00 0.41 0.00 0.00 41.25 40.16 1sk6 s ASN 42 CO 0.00 -0.26 0.36 -0.81 -1.51 0.00 0.00 177.10 174.88 1sk6 n PRO 43 N 3.38 0.87 -4.41 -0.60 -0.04 -1.26 -4.92 135.00 128.02 1sk6 n PRO 43 Ca 0.05 -1.65 -0.27 0.00 -0.04 0.00 0.00 63.50 61.59 1sk6 n PRO 43 Cb 0.34 -0.05 -0.12 0.00 -0.04 0.00 0.00 33.50 33.63 1sk6 n PRO 43 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1sk6 s THR 44 N -0.99 2.29 -1.37 0.52 -1.32 -1.26 -5.00 115.64 108.51 1sk6 s THR 44 Ca 0.28 -1.92 0.00 0.00 -1.21 0.00 0.00 61.69 58.84 1sk6 s THR 44 Cb -0.02 -2.06 0.00 0.00 -1.51 0.00 0.00 72.50 68.91 1sk6 s THR 44 CO 0.17 -0.04 0.13 -0.62 -2.21 0.00 0.00 174.62 172.05 1sk6 n GLU 45 N 0.53 0.19 -0.03 7.08 -0.58 -1.26 -2.47 120.64 124.10 1sk6 n GLU 45 Ca -0.15 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.53 1sk6 n GLU 45 Cb 0.55 -1.06 -0.02 0.00 -0.57 0.00 0.00 31.44 30.33 1sk6 n GLU 45 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1sk6 n ALA 46 N 0.07 2.33 0.06 0.62 0.00 -1.26 -4.53 120.51 117.80 1sk6 n ALA 46 Ca 0.00 -0.25 0.14 0.00 0.00 0.00 0.00 53.44 53.33 1sk6 n ALA 46 Cb 0.03 0.40 0.62 0.00 0.00 0.00 0.00 19.45 20.49 1sk6 n ALA 46 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1sk6 h GLU 47 N -0.15 0.12 0.00 0.00 5.08 -1.90 0.50 114.58 118.23 1sk6 h GLU 47 Ca -0.15 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1sk6 h GLU 47 Cb 1.16 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1sk6 h GLU 47 CO -0.07 0.08 0.00 1.28 -1.00 0.00 0.00 179.01 179.30 1sk6 n LEU 48 N -4.45 0.60 -1.60 1.33 4.77 -1.24 -3.64 117.00 112.76 1sk6 n LEU 48 Ca 0.06 0.58 -0.06 0.00 -0.03 0.00 0.00 56.01 56.55 1sk6 n LEU 48 Cb 0.37 -0.41 0.02 0.00 -2.33 0.00 0.00 43.42 41.06 1sk6 n LEU 48 CO 0.35 -0.23 1.03 0.00 -1.33 0.00 0.00 177.39 177.21 1sk6 n GLN 49 N -2.08 1.30 0.00 3.23 1.13 0.17 -3.19 117.38 117.95 1sk6 n GLN 49 Ca 0.05 -0.61 0.00 0.00 -1.94 0.00 0.00 57.00 54.50 1sk6 n GLN 49 Cb 0.36 -1.24 0.00 0.00 0.11 0.00 0.00 30.24 29.47 1sk6 n GLN 49 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1sk6 n ASP 50 N 0.94 0.00 -0.10 1.08 5.68 -1.24 -4.96 116.55 117.95 1sk6 n ASP 50 Ca 0.12 0.00 -0.20 0.00 -0.50 0.00 0.00 54.79 54.20 1sk6 n ASP 50 Cb 0.55 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.47 1sk6 n ASP 50 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1sk6 n MET 51 N 0.00 0.46 -0.31 0.11 2.81 -1.22 -4.61 117.12 114.36 1sk6 n MET 51 Ca 0.00 0.20 0.02 0.00 -1.81 0.00 0.00 57.70 56.11 1sk6 n MET 51 Cb 0.00 -1.28 0.15 0.00 -0.71 0.00 0.00 33.22 31.38 1sk6 n MET 51 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 1sk6 h ILE 52 N -0.80 0.99 0.00 2.02 6.09 -1.88 -2.51 117.51 121.43 1sk6 h ILE 52 Ca -0.45 -0.31 -0.53 0.00 -1.37 0.00 0.00 64.86 62.20 1sk6 h ILE 52 Cb 1.35 0.00 0.01 0.00 0.47 0.00 0.00 36.82 38.65 1sk6 h ILE 52 CO -0.27 0.17 2.79 -3.20 -3.07 0.00 0.00 178.15 174.56 1sk6 n ASN 53 N -4.66 7.56 0.19 2.19 5.15 -1.26 -3.66 115.26 120.76 1sk6 n ASN 53 Ca 0.13 -2.51 0.00 0.00 -0.60 0.00 0.00 54.58 51.60 1sk6 n ASN 53 Cb 0.22 -1.47 0.00 0.00 -0.53 0.00 0.00 39.78 38.00 1sk6 n ASN 53 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1sk6 n GLU 54 N 3.39 0.00 0.16 1.20 2.13 -0.94 -4.93 120.64 121.65 1sk6 n GLU 54 Ca 0.67 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 58.37 1sk6 n GLU 54 Cb 0.37 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.01 1sk6 n GLU 54 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 1sk6 h VAL 55 N 0.00 0.52 -2.34 6.31 3.04 -1.67 -3.46 116.25 118.64 1sk6 h VAL 55 Ca 0.00 -0.70 -0.04 0.00 -1.01 0.00 0.00 66.70 64.95 1sk6 h VAL 55 Cb 0.00 0.80 -0.25 0.00 -2.01 0.00 0.00 31.29 29.83 1sk6 h VAL 55 CO 0.00 0.11 -0.26 -0.62 -1.01 0.00 0.00 177.57 175.79 1sk6 s ASP 56 N -5.07 -0.60 0.00 3.17 -1.08 -1.26 -5.10 116.67 106.73 1sk6 s ASP 56 Ca -0.13 1.19 0.00 0.00 -0.52 0.00 0.00 52.55 53.09 1sk6 s ASP 56 Cb 0.01 1.54 0.00 0.00 -1.46 0.00 0.00 42.92 43.01 1sk6 s ASP 56 CO 0.46 -0.22 0.00 0.00 0.52 0.00 0.00 175.17 175.92 1sk6 n ALA 57 N 5.15 0.00 0.04 3.66 0.00 -1.26 -4.60 120.51 123.50 1sk6 n ALA 57 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1sk6 n ALA 57 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1sk6 n ALA 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1sk6 n ASP 58 N 0.00 0.63 0.00 0.00 9.92 -1.26 -4.88 116.55 120.96 1sk6 n ASP 58 Ca 0.00 0.11 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 1sk6 n ASP 58 Cb 0.00 -0.17 0.00 0.00 -0.64 0.00 0.00 41.12 40.31 1sk6 n ASP 58 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1sk6 n GLY 59 N 3.13 -0.16 0.19 0.44 0.00 -1.26 -4.76 105.19 102.77 1sk6 n GLY 59 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1sk6 n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sk6 n ASN 60 N 0.00 0.55 -2.58 1.61 4.13 -1.26 -4.90 115.26 112.81 1sk6 n ASN 60 Ca 0.00 -1.99 -0.11 0.00 1.68 0.00 0.00 54.58 54.15 1sk6 n ASN 60 Cb 0.00 -0.07 0.06 0.00 -1.54 0.00 0.00 39.78 38.23 1sk6 n ASN 60 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1sk6 n GLY 61 N 0.67 -0.08 3.37 7.41 0.00 -1.26 -4.93 105.19 110.36 1sk6 n GLY 61 Ca 0.04 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1sk6 n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1sk6 n THR 62 N -3.03 1.16 -4.28 2.61 -2.24 -1.26 -4.71 114.28 102.52 1sk6 n THR 62 Ca -0.19 -0.50 -0.21 0.00 -2.27 0.00 0.00 64.05 60.89 1sk6 n THR 62 Cb 0.61 -0.26 -0.16 0.00 -2.10 0.00 0.00 70.33 68.42 1sk6 n THR 62 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1sk6 s ILE 63 N -1.63 0.68 0.03 2.28 1.01 -1.25 -4.52 121.20 117.80 1sk6 s ILE 63 Ca 0.61 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 61.04 1sk6 s ILE 63 Cb -0.60 -0.66 -0.00 0.00 0.01 0.00 0.00 42.46 41.21 1sk6 s ILE 63 CO 0.60 0.24 0.02 0.47 0.00 0.00 0.00 174.94 176.28 1sk6 n ASP 64 N 3.79 -0.01 0.26 3.58 9.92 -1.26 -3.13 116.55 129.71 1sk6 n ASP 64 Ca -0.23 -1.19 -0.10 0.00 -0.53 0.00 0.00 54.79 52.74 1sk6 n ASP 64 Cb 0.52 0.14 -0.05 0.00 -0.64 0.00 0.00 41.12 41.09 1sk6 n ASP 64 CO 0.00 0.00 0.00 -0.26 0.13 0.00 0.00 177.20 177.07 1sk6 h PHE 65 N 1.09 -0.63 -1.33 1.24 -1.00 -1.99 -3.29 116.94 111.03 1sk6 h PHE 65 Ca -0.02 -0.01 0.38 0.00 2.81 0.00 0.00 57.97 61.13 1sk6 h PHE 65 Cb 0.10 0.21 -0.05 0.00 3.61 0.00 0.00 35.95 39.82 1sk6 h PHE 65 CO 0.00 -0.39 1.28 -1.35 -1.61 0.00 0.00 178.31 176.24 1sk6 h PRO 66 N -0.86 0.00 0.00 1.51 0.11 -2.00 -2.86 132.00 127.90 1sk6 h PRO 66 Ca -0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.04 1sk6 h PRO 66 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 1sk6 h PRO 66 CO 0.11 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.29 1sk6 n GLU 67 N -3.46 0.00 -0.31 1.05 1.02 -1.24 -3.67 120.64 114.03 1sk6 n GLU 67 Ca 0.30 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.59 1sk6 n GLU 67 Cb 1.68 -0.88 0.32 0.00 -0.02 0.00 0.00 31.44 32.54 1sk6 n GLU 67 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1sk6 h PHE 68 N 0.00 0.40 0.00 -0.32 3.57 -1.68 0.34 116.94 119.25 1sk6 h PHE 68 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1sk6 h PHE 68 Cb 0.00 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.71 1sk6 h PHE 68 CO 0.00 -0.24 0.00 1.28 -2.23 0.00 0.00 178.31 177.12 1sk6 n LEU 69 N -5.23 0.00 0.00 0.59 4.77 -1.12 -1.93 117.00 114.08 1sk6 n LEU 69 Ca 0.23 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1sk6 n LEU 69 Cb 0.75 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 1sk6 n LEU 69 CO 0.05 0.00 -0.28 0.41 -1.33 0.00 0.00 177.39 176.24 1sk6 n THR 70 N -0.76 0.00 -0.03 -5.08 -1.04 0.12 -4.77 114.28 102.72 1sk6 n THR 70 Ca 0.01 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.88 1sk6 n THR 70 Cb 0.01 -0.04 -0.11 0.00 -1.82 0.00 0.00 70.33 68.36 1sk6 n THR 70 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 1sk6 h MET 71 N 0.00 0.12 0.00 -2.82 -1.53 -1.05 -2.96 114.93 106.68 1sk6 h MET 71 Ca 0.00 -0.11 0.00 0.00 -3.44 0.00 0.00 59.70 56.15 1sk6 h MET 71 Cb 0.22 0.03 0.00 0.00 -0.55 0.00 0.00 31.60 31.30 1sk6 h MET 71 CO 0.00 0.84 0.25 0.52 0.14 0.00 0.00 176.91 178.66 1sk6 h MET 72 N -0.57 0.00 -2.00 0.39 2.86 -1.82 -2.07 114.93 111.71 1sk6 h MET 72 Ca -0.02 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 1sk6 h MET 72 Cb 0.89 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.52 1sk6 h MET 72 CO 0.03 0.00 -0.13 0.00 1.06 0.00 0.00 176.91 177.87 1sk6 n ALA 73 N -1.63 4.78 0.00 6.32 0.00 -1.12 -0.75 120.51 128.11 1sk6 n ALA 73 Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 53.44 52.81 1sk6 n ALA 73 Cb 0.27 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1sk6 n ALA 73 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1sk6 n ARG 74 N 1.85 0.00 -0.09 0.00 3.00 -0.78 -4.82 116.66 115.82 1sk6 n ARG 74 Ca 0.15 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.86 1sk6 n ARG 74 Cb 0.64 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 33.03 1sk6 n ARG 74 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1sk6 n LYS 75 N -0.80 0.51 -1.31 -0.14 0.00 -1.18 -4.10 118.16 111.14 1sk6 n LYS 75 Ca 0.00 0.55 -0.31 0.00 0.00 0.00 0.00 58.31 58.55 1sk6 n LYS 75 Cb 0.00 -1.72 0.06 0.00 0.00 0.00 0.00 35.03 33.37 1sk6 n LYS 75 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 1sk6 n MET 76 N -4.52 2.50 -0.03 1.64 1.56 0.07 -4.00 117.12 114.34 1sk6 n MET 76 Ca -0.20 -2.91 -0.05 0.00 -0.27 0.00 0.00 57.70 54.27 1sk6 n MET 76 Cb 0.47 -2.14 -0.03 0.00 2.15 0.00 0.00 33.22 33.67 1sk6 n MET 76 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 1sk6 n LYS 77 N -0.53 0.15 0.08 2.12 3.00 -0.94 -4.68 118.16 117.36 1sk6 n LYS 77 Ca 0.54 0.04 -0.04 0.00 -0.00 0.00 0.00 58.31 58.86 1sk6 n LYS 77 Cb 0.59 -1.01 -0.02 0.00 0.00 0.00 0.00 35.03 34.59 1sk6 n LYS 77 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1sk6 h ASP 78 N -0.07 -0.21 0.00 3.14 1.82 -1.73 -3.33 116.42 116.05 1sk6 h ASP 78 Ca -0.15 0.01 -0.21 0.00 -0.39 0.00 0.00 57.03 56.29 1sk6 h ASP 78 Cb 1.19 0.05 -0.03 0.00 0.68 0.00 0.00 39.33 41.23 1sk6 h ASP 78 CO -0.04 0.05 0.75 1.07 -1.61 0.00 0.00 179.24 179.46 1sk6 n THR 79 N -3.77 2.20 -0.77 2.25 5.66 -1.26 -4.71 114.28 113.88 1sk6 n THR 79 Ca -0.03 -1.18 -0.24 0.00 -3.05 0.00 0.00 64.05 59.56 1sk6 n THR 79 Cb 0.10 -1.94 -0.02 0.00 -1.55 0.00 0.00 70.33 66.92 1sk6 n THR 79 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1sk6 n ASP 80 N 3.07 4.75 0.00 1.09 2.03 -1.25 -4.66 116.55 121.57 1sk6 n ASP 80 Ca 0.35 -2.35 0.00 0.00 0.52 0.00 0.00 54.79 53.31 1sk6 n ASP 80 Cb 0.47 -1.10 0.00 0.00 -0.72 0.00 0.00 41.12 39.77 1sk6 n ASP 80 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1sk6 n SER 81 N 4.46 0.00 0.00 1.67 7.64 -1.26 -4.58 113.62 121.54 1sk6 n SER 81 Ca 0.45 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.33 1sk6 n SER 81 Cb 0.15 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 1sk6 n SER 81 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1sk6 n GLU 82 N 0.00 0.00 -0.07 1.43 2.13 -1.26 -3.55 120.64 119.32 1sk6 n GLU 82 Ca 0.00 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.70 1sk6 n GLU 82 Cb 0.00 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.62 1sk6 n GLU 82 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1sk6 h GLU 83 N 0.00 0.00 0.00 5.31 4.39 -1.98 0.35 114.58 122.64 1sk6 h GLU 83 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1sk6 h GLU 83 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1sk6 h GLU 83 CO 0.00 0.74 0.45 0.93 -1.16 0.00 0.00 179.01 179.97 1sk6 h GLU 84 N -1.00 0.00 0.00 2.33 5.08 -1.81 -3.09 114.58 116.10 1sk6 h GLU 84 Ca -0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1sk6 h GLU 84 Cb 0.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1sk6 h GLU 84 CO -0.04 0.00 0.00 -0.89 -1.00 0.00 0.00 179.01 177.08 1sk6 n ILE 85 N -2.05 0.00 0.00 3.13 5.41 -1.13 -4.68 119.36 120.04 1sk6 n ILE 85 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.74 1sk6 n ILE 85 Cb 0.47 -0.24 0.00 0.00 -0.71 0.00 0.00 39.64 39.16 1sk6 n ILE 85 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1sk6 n ARG 86 N 0.00 0.00 0.27 0.38 0.63 0.12 0.36 116.66 118.43 1sk6 n ARG 86 Ca 0.00 0.00 0.18 0.00 -0.92 0.00 0.00 57.85 57.11 1sk6 n ARG 86 Cb 0.00 0.00 0.89 0.00 0.45 0.00 0.00 32.46 33.80 1sk6 n ARG 86 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1sk6 h GLU 87 N 0.00 0.00 0.00 -0.14 5.08 -1.80 -1.72 114.58 116.00 1sk6 h GLU 87 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 1sk6 h GLU 87 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1sk6 h GLU 87 CO 0.00 0.00 -1.13 0.00 -1.00 0.00 0.00 179.01 176.88 1sk6 h ALA 88 N 2.03 0.49 -0.08 3.43 0.00 0.62 -3.24 119.26 122.50 1sk6 h ALA 88 Ca 0.00 -0.99 -0.14 0.00 0.00 0.00 0.00 54.91 53.78 1sk6 h ALA 88 Cb 0.19 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1sk6 h ALA 88 CO 0.00 1.26 -0.57 0.35 0.00 0.00 0.00 179.25 180.28 1sk6 h PHE 89 N 0.00 0.31 0.00 0.00 3.57 -1.44 -2.25 116.94 117.13 1sk6 h PHE 89 Ca -0.08 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.31 1sk6 h PHE 89 Cb 1.78 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 40.47 1sk6 h PHE 89 CO 0.00 0.76 0.00 0.54 -2.23 0.00 0.00 178.31 177.38 1sk6 n ARG 90 N -3.90 0.03 0.09 1.11 1.74 -1.13 -1.74 116.66 112.85 1sk6 n ARG 90 Ca -0.02 0.15 -0.23 0.00 -0.77 0.00 0.00 57.85 56.98 1sk6 n ARG 90 Cb 0.60 -1.54 -0.15 0.00 -1.02 0.00 0.00 32.46 30.34 1sk6 n ARG 90 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1sk6 h VAL 91 N 0.00 1.10 -0.01 1.55 2.07 -1.44 -3.32 116.25 116.21 1sk6 h VAL 91 Ca 0.00 -2.55 -0.20 0.00 0.82 0.00 0.00 66.70 64.77 1sk6 h VAL 91 Cb 0.39 2.88 -0.01 0.00 -1.52 0.00 0.00 31.29 33.04 1sk6 h VAL 91 CO 0.00 0.81 -0.85 -0.26 0.02 0.00 0.00 177.57 177.29 1sk6 h PHE 92 N 0.02 0.34 -2.86 1.57 -1.00 -1.39 -3.40 116.94 110.22 1sk6 h PHE 92 Ca -0.30 -0.18 -0.71 0.00 2.81 0.00 0.00 57.97 59.59 1sk6 h PHE 92 Cb 2.04 -0.04 -0.20 0.00 3.61 0.00 0.00 35.95 41.36 1sk6 h PHE 92 CO 0.12 0.98 0.46 0.34 -1.61 0.00 0.00 178.31 178.60 1sk6 s ASP 93 N -6.95 6.50 0.00 2.17 2.15 -0.71 -4.61 116.67 115.22 1sk6 s ASP 93 Ca -0.03 -1.93 0.23 0.00 0.43 0.00 0.00 52.55 51.25 1sk6 s ASP 93 Cb 0.10 -2.33 0.11 0.00 -0.30 0.00 0.00 42.92 40.49 1sk6 s ASP 93 CO 0.83 -1.01 1.16 2.29 -0.17 0.00 0.00 175.17 178.27 1sk6 n LYS 94 N 6.04 1.04 0.19 4.34 2.85 -1.26 -3.93 118.16 127.43 1sk6 n LYS 94 Ca 0.10 -0.83 0.11 0.00 -1.05 0.00 0.00 58.31 56.64 1sk6 n LYS 94 Cb 0.47 -1.48 0.12 0.00 -0.65 0.00 0.00 35.03 33.48 1sk6 n LYS 94 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 177.40 177.73 1sk6 h ASP 95 N 2.02 0.00 0.00 -5.58 3.04 -1.90 -3.47 116.42 110.54 1sk6 h ASP 95 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1sk6 h ASP 95 Cb 0.69 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.98 1sk6 h ASP 95 CO 0.00 0.07 0.00 0.61 -2.04 0.00 0.00 179.24 177.88 1sk6 n GLY 96 N 1.14 2.28 0.56 7.15 0.00 -1.25 -4.83 105.19 110.23 1sk6 n GLY 96 Ca 0.03 0.00 0.38 0.00 0.00 0.00 0.00 46.02 46.43 1sk6 n GLY 96 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 1sk6 h ASN 97 N 0.00 0.03 0.00 1.61 7.08 -1.90 -3.43 115.58 118.97 1sk6 h ASN 97 Ca 0.00 0.01 0.00 0.00 -3.08 0.00 0.00 56.30 53.23 1sk6 h ASN 97 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 1sk6 h ASN 97 CO 0.00 -0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.96 1sk6 n GLY 98 N -1.78 0.67 2.98 9.14 0.00 -1.26 -5.05 105.19 109.88 1sk6 n GLY 98 Ca 0.29 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.16 1sk6 n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sk6 s TYR 99 N -2.14 0.53 -0.39 1.61 1.51 -1.26 -4.25 117.35 112.95 1sk6 s TYR 99 Ca 0.00 -0.14 -0.21 0.00 -1.01 0.00 0.00 57.07 55.71 1sk6 s TYR 99 Cb 0.00 -0.34 0.01 0.00 -0.11 0.00 0.00 41.96 41.53 1sk6 s TYR 99 CO 0.00 -0.02 0.69 0.42 -1.11 0.00 0.00 175.55 175.53 1sk6 s ILE 100 N -0.26 4.81 0.41 2.71 1.01 -1.02 -4.87 121.20 123.98 1sk6 s ILE 100 Ca 0.01 0.49 0.02 0.00 0.00 0.00 0.00 60.65 61.17 1sk6 s ILE 100 Cb -0.03 -4.17 -0.01 0.00 0.01 0.00 0.00 42.46 38.26 1sk6 s ILE 100 CO -0.00 -0.47 0.61 -0.94 0.00 0.00 0.00 174.94 174.13 1sk6 s SER 101 N 1.91 5.95 0.14 3.58 1.04 -1.26 -1.41 113.70 123.64 1sk6 s SER 101 Ca 0.26 0.22 -0.27 0.00 0.48 0.00 0.00 55.95 56.64 1sk6 s SER 101 Cb -0.14 -1.57 -0.06 0.00 0.10 0.00 0.00 66.02 64.35 1sk6 s SER 101 CO 0.18 -0.57 1.47 0.00 0.98 0.00 0.00 173.24 175.30 1sk6 h ALA 102 N 0.56 -0.50 -0.44 5.32 0.00 -1.95 -1.15 119.26 121.11 1sk6 h ALA 102 Ca -0.47 0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.61 1sk6 h ALA 102 Cb 1.25 1.31 -0.09 0.00 0.00 0.00 0.00 17.79 20.25 1sk6 h ALA 102 CO 0.57 -0.86 -0.41 0.00 0.00 0.00 0.00 179.25 178.56 1sk6 h ALA 103 N 0.26 -0.35 -1.08 0.00 0.00 -1.98 -1.40 119.26 114.71 1sk6 h ALA 103 Ca 0.13 0.08 0.35 0.00 0.00 0.00 0.00 54.91 55.47 1sk6 h ALA 103 Cb 0.37 0.86 -0.14 0.00 0.00 0.00 0.00 17.79 18.89 1sk6 h ALA 103 CO -0.79 -0.82 0.65 0.93 0.00 0.00 0.00 179.25 179.21 1sk6 h GLU 104 N -0.29 0.25 0.16 0.00 5.08 -1.50 -0.66 114.58 117.62 1sk6 h GLU 104 Ca 0.16 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1sk6 h GLU 104 Cb 0.57 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1sk6 h GLU 104 CO -0.59 0.16 -0.08 1.25 -1.00 0.00 0.00 179.01 178.76 1sk6 h LEU 105 N 0.26 -0.18 -0.06 1.33 5.85 -1.06 -2.84 115.31 118.60 1sk6 h LEU 105 Ca 0.75 -0.36 0.01 0.00 0.84 0.00 0.00 57.88 59.11 1sk6 h LEU 105 Cb 1.91 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.98 1sk6 h LEU 105 CO -0.53 0.35 -0.05 -0.09 -0.34 0.00 0.00 178.44 177.78 1sk6 h ARG 106 N -0.82 -0.01 0.00 1.25 2.43 -0.80 0.18 114.38 116.61 1sk6 h ARG 106 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1sk6 h ARG 106 Cb 0.53 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1sk6 h ARG 106 CO 0.04 -0.01 0.00 0.72 -1.51 0.00 0.00 179.97 179.21 1sk6 n HIS 107 N -3.07 0.00 -0.11 2.20 8.25 -0.63 0.89 115.22 122.77 1sk6 n HIS 107 Ca -0.00 0.00 0.24 0.00 -0.26 0.00 0.00 57.72 57.70 1sk6 n HIS 107 Cb 0.02 -0.23 0.45 0.00 1.12 0.00 0.00 29.99 31.35 1sk6 n HIS 107 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1sk6 h VAL 108 N 0.00 0.05 0.00 1.59 2.07 -1.23 -0.41 116.25 118.33 1sk6 h VAL 108 Ca 0.00 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.44 1sk6 h VAL 108 Cb 0.00 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.87 1sk6 h VAL 108 CO 0.00 0.00 -0.63 0.24 0.02 0.00 0.00 177.57 177.20 1sk6 h MET 109 N 0.00 0.00 -0.06 1.57 2.07 0.36 -3.24 114.93 115.64 1sk6 h MET 109 Ca 0.39 0.00 0.02 0.00 -2.07 0.00 0.00 59.70 58.04 1sk6 h MET 109 Cb 2.52 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 32.25 1sk6 h MET 109 CO -0.00 0.50 0.21 1.79 1.07 0.00 0.00 176.91 180.47 1sk6 h THR 110 N -1.00 0.12 0.00 2.22 1.35 0.14 0.17 112.91 115.91 1sk6 h THR 110 Ca -0.13 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 65.61 1sk6 h THR 110 Cb 0.79 0.81 -0.02 0.00 -1.73 0.00 0.00 68.15 67.99 1sk6 h THR 110 CO -0.08 0.00 -1.06 0.78 -0.25 0.00 0.00 175.52 174.92 1sk6 h ASN 111 N 0.00 0.00 -0.03 5.36 2.35 -1.54 -3.27 115.58 118.45 1sk6 h ASN 111 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1sk6 h ASN 111 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1sk6 h ASN 111 CO -0.00 0.47 0.00 0.18 -1.65 0.00 0.00 177.43 176.43 1sk6 n LEU 112 N -2.97 0.37 0.00 1.61 4.77 0.57 -4.92 117.00 116.43 1sk6 n LEU 112 Ca -0.05 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 1sk6 n LEU 112 Cb 0.77 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.84 1sk6 n LEU 112 CO 0.42 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1sk6 n GLY 113 N 0.93 3.32 3.63 -0.72 0.00 -1.15 -5.08 105.19 106.11 1sk6 n GLY 113 Ca 0.17 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.74 1sk6 n GLY 113 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1sk6 s GLU 114 N 0.00 4.04 0.03 1.61 2.56 -1.23 -4.95 118.70 120.75 1sk6 s GLU 114 Ca 0.00 0.76 -0.19 0.00 0.00 0.00 0.00 54.97 55.54 1sk6 s GLU 114 Cb 0.00 -3.71 -0.06 0.00 2.00 0.00 0.00 34.13 32.37 1sk6 s GLU 114 CO 0.00 -0.66 0.53 0.15 -0.56 0.00 0.00 175.26 174.72 1sk6 s LYS 115 N 3.02 4.18 0.34 4.30 -0.14 -1.26 -3.11 119.74 127.07 1sk6 s LYS 115 Ca 0.35 0.65 0.09 0.00 -1.36 0.00 0.00 55.97 55.70 1sk6 s LYS 115 Cb -0.14 -3.27 -0.07 0.00 -1.68 0.00 0.00 37.83 32.67 1sk6 s LYS 115 CO 0.11 0.56 -0.09 -0.51 -0.76 0.00 0.00 175.35 174.66 1sk6 s LEU 116 N -0.77 2.72 0.15 3.17 1.43 -1.26 -5.03 118.68 119.09 1sk6 s LEU 116 Ca 0.28 -1.20 -0.09 0.00 -1.03 0.00 0.00 54.13 52.08 1sk6 s LEU 116 Cb -0.18 -0.98 -0.06 0.00 0.03 0.00 0.00 46.19 45.00 1sk6 s LEU 116 CO 0.17 -0.22 0.46 0.42 0.23 0.00 0.00 176.35 177.41 1sk6 s THR 117 N -2.63 5.03 -0.83 5.49 -4.23 -1.26 -4.91 115.64 112.30 1sk6 s THR 117 Ca 0.32 0.40 0.00 0.00 -1.18 0.00 0.00 61.69 61.24 1sk6 s THR 117 Cb 0.03 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 70.22 1sk6 s THR 117 CO 0.16 0.11 0.68 0.47 -0.54 0.00 0.00 174.62 175.50 1sk6 n ASP 118 N 0.37 0.00 -0.08 3.99 10.43 -1.26 -0.36 116.55 129.65 1sk6 n ASP 118 Ca -0.04 0.23 -0.22 0.00 2.57 0.00 0.00 54.79 57.33 1sk6 n ASP 118 Cb 0.52 -0.23 -0.12 0.00 1.84 0.00 0.00 41.12 43.13 1sk6 n ASP 118 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1sk6 n GLU 119 N -1.18 0.65 0.24 -1.24 -0.58 -1.26 -3.40 120.64 113.88 1sk6 n GLU 119 Ca 0.00 0.32 0.15 0.00 -0.42 0.00 0.00 57.16 57.21 1sk6 n GLU 119 Cb 0.13 -1.63 0.47 0.00 -0.57 0.00 0.00 31.44 29.84 1sk6 n GLU 119 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1sk6 h GLU 120 N -0.43 0.00 0.02 3.49 5.08 -1.07 -3.18 114.58 118.49 1sk6 h GLU 120 Ca -0.50 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1sk6 h GLU 120 Cb 1.74 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.99 1sk6 h GLU 120 CO -0.13 0.00 -0.01 0.28 -1.00 0.00 0.00 179.01 178.15 1sk6 h VAL 121 N 0.00 0.00 0.00 3.13 2.07 -1.37 -2.43 116.25 117.64 1sk6 h VAL 121 Ca 0.00 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1sk6 h VAL 121 Cb 0.69 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1sk6 h VAL 121 CO 0.00 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.06 1sk6 n ASP 122 N -3.10 0.00 -0.10 0.57 8.00 -1.22 -1.44 116.55 119.26 1sk6 n ASP 122 Ca -0.00 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.28 1sk6 n ASP 122 Cb 0.01 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.04 1sk6 n ASP 122 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1sk6 n GLU 123 N -0.80 0.45 0.25 -1.24 2.13 -1.20 -3.92 120.64 116.31 1sk6 n GLU 123 Ca 0.00 0.20 0.12 0.00 0.66 0.00 0.00 57.16 58.14 1sk6 n GLU 123 Cb 0.00 -1.27 0.65 0.00 0.27 0.00 0.00 31.44 31.10 1sk6 n GLU 123 CO 0.00 0.00 0.00 0.52 -0.41 0.00 0.00 177.13 177.24 1sk6 h MET 124 N -0.78 0.00 0.00 5.31 2.86 -0.73 -0.08 114.93 121.52 1sk6 h MET 124 Ca -0.51 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.09 1sk6 h MET 124 Cb 1.42 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.08 1sk6 h MET 124 CO -0.31 0.00 -0.22 0.82 1.06 0.00 0.00 176.91 178.26 1sk6 h ILE 125 N 0.00 1.52 0.00 -1.22 1.08 -1.72 -3.05 117.51 114.12 1sk6 h ILE 125 Ca 0.00 -2.22 0.00 0.00 -0.39 0.00 0.00 64.86 62.25 1sk6 h ILE 125 Cb 0.48 2.95 0.00 0.00 -3.07 0.00 0.00 36.82 37.18 1sk6 h ILE 125 CO 0.00 0.51 0.00 0.54 -0.69 0.00 0.00 178.15 178.51 1sk6 n ARG 126 N -4.59 0.28 -0.10 2.37 1.74 -0.09 -0.06 116.66 116.21 1sk6 n ARG 126 Ca -0.13 0.10 -0.11 0.00 -0.77 0.00 0.00 57.85 56.94 1sk6 n ARG 126 Cb 0.48 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.28 1sk6 n ARG 126 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1sk6 n GLU 127 N -1.18 0.86 0.05 5.56 -0.58 -0.91 -4.32 120.64 120.12 1sk6 n GLU 127 Ca 0.08 0.02 -0.01 0.00 -0.42 0.00 0.00 57.16 56.83 1sk6 n GLU 127 Cb 0.09 -1.48 -0.07 0.00 -0.57 0.00 0.00 31.44 29.41 1sk6 n GLU 127 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1sk6 h ALA 128 N 0.76 0.65 -2.84 0.62 0.00 -1.31 -3.45 119.26 113.69 1sk6 h ALA 128 Ca -0.52 -0.82 -0.52 0.00 0.00 0.00 0.00 54.91 53.06 1sk6 h ALA 128 Cb 2.10 0.19 0.05 0.00 0.00 0.00 0.00 17.79 20.13 1sk6 h ALA 128 CO 0.01 0.93 0.58 0.34 0.00 0.00 0.00 179.25 181.11 1sk6 s ASP 129 N -6.02 6.82 0.00 0.00 -1.08 0.91 -4.79 116.67 112.51 1sk6 s ASP 129 Ca -0.01 2.54 0.00 0.00 -0.52 0.00 0.00 52.55 54.56 1sk6 s ASP 129 Cb 0.08 -2.64 0.00 0.00 -1.46 0.00 0.00 42.92 38.91 1sk6 s ASP 129 CO 0.80 -0.49 0.15 -0.38 0.52 0.00 0.00 175.17 175.78 1sk6 n ILE 130 N 0.74 0.00 -0.86 4.11 5.41 -1.26 -4.82 119.36 122.67 1sk6 n ILE 130 Ca 0.01 -0.30 0.02 0.00 1.00 0.00 0.00 62.75 63.47 1sk6 n ILE 130 Cb 0.43 1.21 0.02 0.00 -0.71 0.00 0.00 39.64 40.59 1sk6 n ILE 130 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1sk6 n ASP 131 N -0.29 1.04 0.00 4.38 5.68 -1.26 -5.04 116.55 121.06 1sk6 n ASP 131 Ca 0.00 -1.84 0.00 0.00 -0.50 0.00 0.00 54.79 52.45 1sk6 n ASP 131 Cb 0.05 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 1sk6 n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sk6 n GLY 132 N -0.40 2.61 0.44 6.12 0.00 -1.26 -4.90 105.19 107.79 1sk6 n GLY 132 Ca 0.03 -0.23 0.36 0.00 0.00 0.00 0.00 46.02 46.17 1sk6 n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sk6 n ASP 133 N 0.79 0.13 -0.18 1.61 5.68 -1.26 -4.72 116.55 118.60 1sk6 n ASP 133 Ca 0.00 1.05 0.00 0.00 -0.50 0.00 0.00 54.79 55.34 1sk6 n ASP 133 Cb 0.00 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.46 1sk6 n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sk6 n GLY 134 N -1.51 0.81 3.64 6.12 0.00 -1.26 -5.05 105.19 107.94 1sk6 n GLY 134 Ca 0.34 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 1sk6 n GLY 134 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1sk6 s GLN 135 N -3.69 0.66 -0.79 1.61 -2.07 -1.26 -4.71 119.66 109.40 1sk6 s GLN 135 Ca 0.00 0.90 -0.23 0.00 -1.82 0.00 0.00 55.36 54.22 1sk6 s GLN 135 Cb 0.00 0.26 0.07 0.00 -1.09 0.00 0.00 33.01 32.25 1sk6 s GLN 135 CO 0.00 -0.10 1.13 0.08 -1.32 0.00 0.00 175.29 175.08 1sk6 s VAL 136 N 0.76 4.25 0.01 3.63 1.01 -0.50 -4.86 120.40 124.70 1sk6 s VAL 136 Ca -0.03 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 1sk6 s VAL 136 Cb -0.05 -4.80 0.00 0.00 0.00 0.00 0.00 36.38 31.53 1sk6 s VAL 136 CO -0.08 -1.61 0.01 -0.46 0.00 0.00 0.00 175.10 172.95 1sk6 n ASN 137 N 7.92 -1.55 0.04 3.32 0.23 -1.26 -2.44 115.26 121.51 1sk6 n ASN 137 Ca 0.09 -0.24 -0.12 0.00 -0.53 0.00 0.00 54.58 53.78 1sk6 n ASN 137 Cb 0.48 -0.01 -0.09 0.00 -2.08 0.00 0.00 39.78 38.08 1sk6 n ASN 137 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1sk6 h TYR 138 N -1.78 -0.15 -0.95 -2.53 3.20 -1.96 -2.77 116.97 110.03 1sk6 h TYR 138 Ca -0.00 -0.00 0.28 0.00 3.14 0.00 0.00 58.73 62.15 1sk6 h TYR 138 Cb 0.01 0.05 -0.15 0.00 1.54 0.00 0.00 36.73 38.18 1sk6 h TYR 138 CO 0.00 0.33 0.39 0.93 -1.64 0.00 0.00 178.16 178.17 1sk6 h GLU 139 N -0.76 0.24 -0.04 1.82 3.07 -1.96 0.72 114.58 117.66 1sk6 h GLU 139 Ca -0.02 -0.01 -0.18 0.00 -0.50 0.00 0.00 59.36 58.65 1sk6 h GLU 139 Cb 0.55 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 1sk6 h GLU 139 CO 0.03 0.16 -0.76 0.93 -1.40 0.00 0.00 179.01 177.96 1sk6 h GLU 140 N 0.24 0.28 0.00 2.33 5.08 -1.89 -2.90 114.58 117.72 1sk6 h GLU 140 Ca 0.65 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.73 1sk6 h GLU 140 Cb 1.43 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.73 1sk6 h GLU 140 CO -0.65 0.91 -0.15 0.35 -1.00 0.00 0.00 179.01 178.47 1sk6 h PHE 141 N 0.18 0.00 0.00 4.33 3.57 0.66 -2.06 116.94 123.62 1sk6 h PHE 141 Ca -0.03 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.34 1sk6 h PHE 141 Cb 1.34 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.06 1sk6 h PHE 141 CO 0.03 0.15 -0.69 0.28 -2.23 0.00 0.00 178.31 175.85 1sk6 h VAL 142 N 0.00 0.89 0.20 1.41 2.07 -0.84 -3.34 116.25 116.64 1sk6 h VAL 142 Ca -0.00 -2.30 -0.01 0.00 0.82 0.00 0.00 66.70 65.21 1sk6 h VAL 142 Cb 0.46 2.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1sk6 h VAL 142 CO 0.02 0.51 -0.10 1.56 0.02 0.00 0.00 177.57 179.58 1sk6 h GLN 143 N 0.00 -0.26 0.00 1.57 1.08 -1.29 -2.75 115.11 113.47 1sk6 h GLN 143 Ca -0.03 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1sk6 h GLN 143 Cb 1.45 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.94 1sk6 h GLN 143 CO 0.07 -0.10 0.00 -0.12 -0.95 0.00 0.00 178.83 177.73 1sk6 n MET 144 N -4.95 0.00 0.00 1.46 0.00 -0.89 -1.03 117.12 111.72 1sk6 n MET 144 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.66 1sk6 n MET 144 Cb 0.14 -1.22 0.00 0.00 0.00 0.00 0.00 33.22 32.14 1sk6 n MET 144 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 175.97 175.85 1sk6 n MET 145 N -0.63 3.19 -3.21 2.12 0.00 -1.22 -4.90 117.12 112.47 1sk6 n MET 145 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.70 57.42 1sk6 n MET 145 Cb 0.00 -0.94 -0.06 0.00 0.00 0.00 0.00 33.22 32.22 1sk6 n MET 145 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1sk6 n THR 146 N -1.77 2.84 -0.13 1.12 -2.24 -0.20 -5.12 114.28 108.79 1sk6 n THR 146 Ca 0.00 -5.41 0.00 0.00 -2.27 0.00 0.00 64.05 56.37 1sk6 n THR 146 Cb 0.39 -1.83 0.00 0.00 -2.10 0.00 0.00 70.33 66.79 1sk6 n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50