#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pb6 h VAL 15 N 0.00 0.21 0.00 0.00 2.07 -2.05 -2.15 116.25 114.33 1pb6 h VAL 15 Ca 0.00 -1.16 -0.23 0.00 0.82 0.00 0.00 66.70 66.13 1pb6 h VAL 15 Cb 0.00 1.98 -0.04 0.00 -1.52 0.00 0.00 31.29 31.71 1pb6 h VAL 15 CO 0.00 0.11 -1.26 0.77 0.02 0.00 0.00 177.57 177.21 1pb6 h SER 16 N 0.00 0.00 0.33 0.57 4.64 -2.05 -3.12 113.55 113.92 1pb6 h SER 16 Ca -0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.09 1pb6 h SER 16 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1pb6 h SER 16 CO 0.01 0.93 -0.93 0.00 -0.87 0.00 0.00 176.83 175.97 1pb6 h ALA 17 N 1.07 0.37 0.00 5.18 0.00 -1.96 -1.51 119.26 122.41 1pb6 h ALA 17 Ca -0.13 -0.71 -0.10 0.00 0.00 0.00 0.00 54.91 53.98 1pb6 h ALA 17 Cb 1.82 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 1pb6 h ALA 17 CO 0.10 0.81 -0.46 -0.22 0.00 0.00 0.00 179.25 179.49 1pb6 h LYS 18 N 0.23 0.00 -0.11 0.00 3.64 -1.52 -1.87 116.57 116.94 1pb6 h LYS 18 Ca -0.08 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.09 1pb6 h LYS 18 Cb 1.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.39 1pb6 h LYS 18 CO 0.16 0.46 -0.78 -0.22 -2.27 0.00 0.00 179.45 176.80 1pb6 h LYS 19 N 0.00 0.62 -0.04 1.90 3.64 -1.50 -2.04 116.57 119.15 1pb6 h LYS 19 Ca -0.00 -0.52 -0.18 0.00 -1.27 0.00 0.00 60.65 58.68 1pb6 h LYS 19 Cb 1.12 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 1pb6 h LYS 19 CO 0.06 1.14 -0.75 0.87 -2.27 0.00 0.00 179.45 178.50 1pb6 h LYS 20 N 0.42 0.28 -0.55 1.90 1.57 -1.22 -2.39 116.57 116.57 1pb6 h LYS 20 Ca -0.05 -0.24 -0.08 0.00 -1.87 0.00 0.00 60.65 58.41 1pb6 h LYS 20 Cb 1.38 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.73 1pb6 h LYS 20 CO 0.15 0.90 0.03 0.00 -0.57 0.00 0.00 179.45 179.96 1pb6 h ALA 21 N 1.02 0.73 -0.53 3.86 0.00 -1.26 0.08 119.26 123.17 1pb6 h ALA 21 Ca -0.03 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 1pb6 h ALA 21 Cb 1.32 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1pb6 h ALA 21 CO 0.12 0.53 -0.13 0.82 0.00 0.00 0.00 179.25 180.59 1pb6 h ILE 22 N 0.83 1.27 -0.32 0.00 2.04 -1.36 -1.44 117.51 118.52 1pb6 h ILE 22 Ca 0.16 -1.29 -0.11 0.00 1.00 0.00 0.00 64.86 64.62 1pb6 h ILE 22 Cb 0.49 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.57 1pb6 h ILE 22 CO 0.02 0.45 -0.21 -0.07 0.00 0.00 0.00 178.15 178.35 1pb6 h LEU 23 N 0.89 0.74 -0.91 1.44 3.38 -1.32 -0.39 115.31 119.14 1pb6 h LEU 23 Ca 0.13 -0.43 -0.10 0.00 0.09 0.00 0.00 57.88 57.57 1pb6 h LEU 23 Cb 0.70 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1pb6 h LEU 23 CO 0.05 1.01 -0.26 0.77 0.09 0.00 0.00 178.44 180.11 1pb6 h SER 24 N 0.47 0.50 -0.25 -0.43 4.64 -0.97 -0.36 113.55 117.15 1pb6 h SER 24 Ca 0.06 -0.17 -0.11 0.00 -0.47 0.00 0.00 61.79 61.10 1pb6 h SER 24 Cb 0.76 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 1pb6 h SER 24 CO 0.06 0.75 -0.24 0.00 -0.87 0.00 0.00 176.83 176.53 1pb6 h ALA 25 N 1.29 0.90 -0.02 5.18 0.00 -1.13 -2.54 119.26 122.94 1pb6 h ALA 25 Ca 0.06 -0.37 -0.16 0.00 0.00 0.00 0.00 54.91 54.44 1pb6 h ALA 25 Cb 0.68 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1pb6 h ALA 25 CO 0.05 0.62 -0.71 0.00 0.00 0.00 0.00 179.25 179.22 1pb6 h ALA 26 N 1.10 0.79 -0.49 0.00 0.00 -0.77 -2.72 119.26 117.17 1pb6 h ALA 26 Ca 0.09 -0.63 -0.09 0.00 0.00 0.00 0.00 54.91 54.28 1pb6 h ALA 26 Cb 0.74 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1pb6 h ALA 26 CO 0.06 0.84 -0.04 1.25 0.00 0.00 0.00 179.25 181.35 1pb6 h LEU 27 N 0.07 0.88 -0.72 0.00 5.85 -0.87 0.36 115.31 120.88 1pb6 h LEU 27 Ca -0.01 -0.33 -0.13 0.00 0.84 0.00 0.00 57.88 58.25 1pb6 h LEU 27 Cb 1.25 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.03 1pb6 h LEU 27 CO 0.10 1.00 -0.40 0.44 -0.34 0.00 0.00 178.44 179.24 1pb6 h ASP 28 N 0.75 0.54 0.10 1.25 3.45 -1.46 -2.44 116.42 118.60 1pb6 h ASP 28 Ca 0.13 -0.24 -0.22 0.00 0.43 0.00 0.00 57.03 57.14 1pb6 h ASP 28 Cb 0.58 -0.15 -0.00 0.00 -0.56 0.00 0.00 39.33 39.19 1pb6 h ASP 28 CO 0.03 0.88 -1.10 0.74 -1.57 0.00 0.00 179.24 178.23 1pb6 h THR 29 N 0.42 1.22 -0.22 0.35 2.02 -1.46 -3.26 112.91 111.98 1pb6 h THR 29 Ca 0.04 -2.40 0.03 0.00 0.77 0.00 0.00 66.41 64.84 1pb6 h THR 29 Cb 0.88 2.85 -0.03 0.00 -1.74 0.00 0.00 68.15 70.12 1pb6 h THR 29 CO 0.08 0.65 0.05 -0.26 0.37 0.00 0.00 175.52 176.41 1pb6 h PHE 30 N -0.47 0.10 0.00 3.16 0.05 -1.01 -0.27 116.94 118.50 1pb6 h PHE 30 Ca -0.24 0.01 -0.00 0.00 3.82 0.00 0.00 57.97 61.56 1pb6 h PHE 30 Cb 1.60 -0.01 -0.00 0.00 2.00 0.00 0.00 35.95 39.54 1pb6 h PHE 30 CO 0.16 0.04 -0.02 0.66 -0.18 0.00 0.00 178.31 178.96 1pb6 h SER 31 N 0.15 0.00 0.11 2.17 4.64 -1.60 0.43 113.55 119.45 1pb6 h SER 31 Ca 0.10 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.10 1pb6 h SER 31 Cb 0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1pb6 h SER 31 CO -0.12 0.02 -1.66 1.56 -0.87 0.00 0.00 176.83 175.77 1pb6 h GLN 32 N 0.00 0.24 -0.10 4.77 1.08 -1.24 -3.40 115.11 116.46 1pb6 h GLN 32 Ca -0.00 -0.41 0.00 0.00 -1.45 0.00 0.00 58.65 56.79 1pb6 h GLN 32 Cb 0.17 0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 1pb6 h GLN 32 CO 0.00 1.20 0.00 1.19 -0.95 0.00 0.00 178.83 180.27 1pb6 n PHE 33 N -3.79 0.13 -0.65 2.96 3.72 -0.24 -5.10 117.46 114.49 1pb6 n PHE 33 Ca -0.29 -0.38 0.08 0.00 -0.05 0.00 0.00 57.45 56.82 1pb6 n PHE 33 Cb 0.95 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 39.42 1pb6 n PHE 33 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pb6 n GLY 34 N -0.05 -2.47 0.36 1.37 0.00 0.15 -2.60 105.19 101.95 1pb6 n GLY 34 Ca 0.04 -1.30 -0.17 0.00 0.00 0.00 0.00 46.02 44.58 1pb6 n GLY 34 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1pb6 h PHE 35 N -0.63 -0.83 0.00 1.61 3.57 -1.94 -0.78 116.94 117.93 1pb6 h PHE 35 Ca -0.05 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.37 1pb6 h PHE 35 Cb 0.61 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 1pb6 h PHE 35 CO 0.01 -0.51 -0.26 0.45 -2.23 0.00 0.00 178.31 175.77 1pb6 h HIS 36 N -0.86 0.00 0.00 0.41 3.86 -1.97 -2.96 115.15 113.63 1pb6 h HIS 36 Ca -0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.13 1pb6 h HIS 36 Cb 0.67 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.14 1pb6 h HIS 36 CO -0.05 0.26 -0.27 0.41 0.86 0.00 0.00 177.93 179.14 1pb6 n GLY 37 N 0.07 -1.42 3.92 2.45 0.00 -1.07 -4.90 105.19 104.24 1pb6 n GLY 37 Ca -0.00 -0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 1pb6 n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pb6 s THR 38 N -3.03 5.12 0.04 2.61 2.01 -0.31 -4.85 115.64 117.22 1pb6 s THR 38 Ca 0.11 -0.21 0.06 0.00 0.31 0.00 0.00 61.69 61.96 1pb6 s THR 38 Cb 0.17 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.91 1pb6 s THR 38 CO 0.63 -0.27 -0.18 -0.13 -0.69 0.00 0.00 174.62 173.98 1pb6 s ARG 39 N -3.51 1.19 0.31 4.92 0.52 -1.26 -4.98 118.95 116.13 1pb6 s ARG 39 Ca 0.41 -0.84 0.04 0.00 -0.52 0.00 0.00 55.73 54.82 1pb6 s ARG 39 Cb -0.11 -1.25 0.50 0.00 0.52 0.00 0.00 34.95 34.62 1pb6 s ARG 39 CO 0.30 0.32 1.78 -0.07 0.02 0.00 0.00 175.30 177.65 1pb6 h LEU 40 N 4.95 0.44 -2.20 2.53 4.07 -1.99 -2.51 115.31 120.60 1pb6 h LEU 40 Ca -0.40 -0.13 -0.00 0.00 0.08 0.00 0.00 57.88 57.43 1pb6 h LEU 40 Cb 1.17 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 42.79 1pb6 h LEU 40 CO 0.44 0.64 -0.01 -0.33 -1.08 0.00 0.00 178.44 178.10 1pb6 h GLU 41 N 0.41 0.00 0.00 1.13 4.39 -1.96 -0.24 114.58 118.30 1pb6 h GLU 41 Ca 0.07 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.57 1pb6 h GLU 41 Cb 0.56 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.17 1pb6 h GLU 41 CO 0.04 0.01 -1.61 0.00 -1.16 0.00 0.00 179.01 176.29 1pb6 n GLN 42 N -4.19 0.63 -0.00 2.33 10.64 -0.97 -3.06 117.38 122.77 1pb6 n GLN 42 Ca -0.03 0.19 -0.17 0.00 -1.83 0.00 0.00 57.00 55.16 1pb6 n GLN 42 Cb 0.10 -1.76 -0.12 0.00 -0.86 0.00 0.00 30.24 27.60 1pb6 n GLN 42 CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 1pb6 h ILE 43 N 0.00 1.51 -0.70 -0.39 2.04 -1.19 -1.45 117.51 117.33 1pb6 h ILE 43 Ca -0.22 -2.16 0.06 0.00 1.00 0.00 0.00 64.86 63.55 1pb6 h ILE 43 Cb 1.70 2.84 -0.06 0.00 -0.74 0.00 0.00 36.82 40.56 1pb6 h ILE 43 CO 0.05 0.61 0.39 0.00 0.00 0.00 0.00 178.15 179.19 1pb6 h ALA 44 N 0.23 0.94 -0.19 1.87 0.00 -1.23 0.36 119.26 121.24 1pb6 h ALA 44 Ca -0.07 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1pb6 h ALA 44 Cb 1.27 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1pb6 h ALA 44 CO 0.10 0.06 0.11 1.49 0.00 0.00 0.00 179.25 181.00 1pb6 h GLU 45 N 0.70 0.26 -0.32 0.00 4.81 -1.54 0.22 114.58 118.71 1pb6 h GLU 45 Ca 0.32 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 1pb6 h GLU 45 Cb 0.21 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1pb6 h GLU 45 CO -0.19 0.24 0.14 1.25 -0.73 0.00 0.00 179.01 179.72 1pb6 h LEU 46 N 0.21 0.42 -1.75 1.64 5.85 -0.40 -2.32 115.31 118.96 1pb6 h LEU 46 Ca 0.07 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1pb6 h LEU 46 Cb 0.05 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 1pb6 h LEU 46 CO -0.01 0.45 -0.16 0.00 -0.34 0.00 0.00 178.44 178.38 1pb6 h ALA 47 N 0.99 1.28 -1.17 1.25 0.00 -0.14 -3.47 119.26 118.00 1pb6 h ALA 47 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1pb6 h ALA 47 Cb 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1pb6 h ALA 47 CO -0.01 0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.84 1pb6 n GLY 48 N -0.58 0.56 3.50 0.00 0.00 0.52 -4.90 105.19 104.29 1pb6 n GLY 48 Ca -0.02 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.52 1pb6 n GLY 48 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pb6 s VAL 49 N -2.36 0.00 0.33 1.61 -7.23 0.14 -5.03 120.40 107.85 1pb6 s VAL 49 Ca 0.00 -1.58 -0.04 0.00 -1.81 0.00 0.00 61.98 58.56 1pb6 s VAL 49 Cb 0.00 -2.66 -0.05 0.00 0.56 0.00 0.00 36.38 34.23 1pb6 s VAL 49 CO 0.00 0.00 0.58 -0.94 -0.31 0.00 0.00 175.10 174.43 1pb6 s SER 50 N -3.24 6.39 0.40 4.85 1.04 -1.26 -3.97 113.70 117.90 1pb6 s SER 50 Ca 0.30 0.68 0.08 0.00 0.48 0.00 0.00 55.95 57.49 1pb6 s SER 50 Cb -0.01 -2.13 0.85 0.00 0.10 0.00 0.00 66.02 64.83 1pb6 s SER 50 CO 0.20 -0.27 2.01 0.50 0.98 0.00 0.00 173.24 176.67 1pb6 h LYS 51 N 1.29 0.58 -0.14 4.02 3.64 -1.92 0.20 116.57 124.24 1pb6 h LYS 51 Ca -0.48 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 58.73 1pb6 h LYS 51 Cb 1.20 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.88 1pb6 h LYS 51 CO 0.64 0.38 -0.51 1.15 -2.27 0.00 0.00 179.45 178.85 1pb6 h THR 52 N 0.60 1.34 -0.08 1.00 2.02 -1.97 0.37 112.91 116.17 1pb6 h THR 52 Ca 0.23 -1.75 -0.15 0.00 0.77 0.00 0.00 66.41 65.50 1pb6 h THR 52 Cb 0.15 1.79 0.01 0.00 -1.74 0.00 0.00 68.15 68.36 1pb6 h THR 52 CO -0.06 0.53 -0.55 -1.13 0.37 0.00 0.00 175.52 174.68 1pb6 h ASN 53 N 0.30 0.63 -0.58 4.18 -1.24 -1.69 -2.68 115.58 114.49 1pb6 h ASN 53 Ca 0.01 -0.66 -0.02 0.00 0.71 0.00 0.00 56.30 56.34 1pb6 h ASN 53 Cb 1.00 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 39.84 1pb6 h ASN 53 CO 0.09 1.19 0.30 0.25 -1.29 0.00 0.00 177.43 177.97 1pb6 h LEU 54 N 0.11 0.74 -2.32 0.34 6.46 -0.94 -1.87 115.31 117.82 1pb6 h LEU 54 Ca -0.04 -0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.60 1pb6 h LEU 54 Cb 1.20 -0.19 -0.00 0.00 -0.73 0.00 0.00 40.66 40.94 1pb6 h LEU 54 CO 0.11 0.65 -0.01 -0.07 -0.62 0.00 0.00 178.44 178.50 1pb6 h LEU 55 N 0.79 0.00 -0.25 2.25 3.38 -0.94 0.28 115.31 120.82 1pb6 h LEU 55 Ca 0.20 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.07 1pb6 h LEU 55 Cb 0.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 1pb6 h LEU 55 CO -0.03 0.01 -0.24 0.22 0.09 0.00 0.00 178.44 178.49 1pb6 h TYR 56 N 0.00 0.72 0.07 1.13 5.03 -0.98 -3.10 116.97 119.84 1pb6 h TYR 56 Ca -0.00 -0.22 -0.21 0.00 2.58 0.00 0.00 58.73 60.89 1pb6 h TYR 56 Cb 0.22 -0.15 -0.01 0.00 1.55 0.00 0.00 36.73 38.34 1pb6 h TYR 56 CO 0.00 0.92 -1.07 1.88 -1.32 0.00 0.00 178.16 178.57 1pb6 h TYR 57 N 0.31 0.25 -3.50 -3.82 -1.99 -1.34 -3.43 116.97 103.46 1pb6 h TYR 57 Ca 0.04 -0.19 -0.67 0.00 2.00 0.00 0.00 58.73 59.91 1pb6 h TYR 57 Cb 0.80 -0.01 -0.38 0.00 2.00 0.00 0.00 36.73 39.14 1pb6 h TYR 57 CO 0.08 1.42 -0.54 -0.06 -0.00 0.00 0.00 178.16 179.06 1pb6 s PHE 58 N -2.40 3.40 0.60 4.88 0.40 0.93 -4.98 117.98 120.81 1pb6 s PHE 58 Ca -0.22 -2.89 0.29 0.00 -0.60 0.00 0.00 56.93 53.51 1pb6 s PHE 58 Cb 0.03 -3.03 1.31 0.00 0.51 0.00 0.00 43.02 41.85 1pb6 s PHE 58 CO 0.71 -0.84 1.70 -1.35 0.70 0.00 0.00 175.22 176.14 1pb6 h PRO 59 N 7.04 0.00 -3.59 0.24 0.11 -1.77 -3.34 132.00 130.70 1pb6 h PRO 59 Ca -0.06 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.99 1pb6 h PRO 59 Cb 0.95 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 31.95 1pb6 h PRO 59 CO 0.68 0.00 -0.15 -1.54 -0.21 0.00 0.00 178.00 176.78 1pb6 s SER 60 N -4.60 -0.11 0.18 -2.05 1.04 -1.26 -4.98 113.70 101.92 1pb6 s SER 60 Ca -0.04 -0.65 -0.10 0.00 0.48 0.00 0.00 55.95 55.65 1pb6 s SER 60 Cb 0.15 0.50 0.09 0.00 0.10 0.00 0.00 66.02 66.86 1pb6 s SER 60 CO 0.53 -0.96 1.69 0.50 0.98 0.00 0.00 173.24 175.98 1pb6 h LYS 61 N 2.39 1.05 -0.51 4.02 3.64 -1.99 -0.71 116.57 124.45 1pb6 h LYS 61 Ca -0.31 -0.27 0.03 0.00 -1.27 0.00 0.00 60.65 58.84 1pb6 h LYS 61 Cb 1.24 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.89 1pb6 h LYS 61 CO 0.44 0.95 0.28 1.49 -2.27 0.00 0.00 179.45 180.34 1pb6 h GLU 62 N 0.96 0.54 -0.74 1.90 4.81 -1.97 0.25 114.58 120.34 1pb6 h GLU 62 Ca 0.20 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.44 1pb6 h GLU 62 Cb 0.40 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.60 1pb6 h GLU 62 CO 0.01 0.36 0.45 0.00 -0.73 0.00 0.00 179.01 179.10 1pb6 h ALA 63 N 1.25 0.99 0.39 2.92 0.00 -1.77 -0.27 119.26 122.77 1pb6 h ALA 63 Ca 0.21 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1pb6 h ALA 63 Cb 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1pb6 h ALA 63 CO -0.12 0.20 -0.19 1.25 0.00 0.00 0.00 179.25 180.39 1pb6 h LEU 64 N 0.86 -0.44 -0.78 0.00 6.46 -0.63 -2.33 115.31 118.44 1pb6 h LEU 64 Ca 0.31 -0.13 0.15 0.00 -0.12 0.00 0.00 57.88 58.10 1pb6 h LEU 64 Cb 0.10 0.11 -0.15 0.00 -0.73 0.00 0.00 40.66 39.99 1pb6 h LEU 64 CO -0.14 -0.04 -0.22 0.22 -0.62 0.00 0.00 178.44 177.63 1pb6 h TYR 65 N -0.93 -0.51 0.00 1.25 5.03 -0.33 0.68 116.97 122.16 1pb6 h TYR 65 Ca -0.05 0.07 -0.01 0.00 2.58 0.00 0.00 58.73 61.32 1pb6 h TYR 65 Cb 0.55 0.34 -0.00 0.00 1.55 0.00 0.00 36.73 39.17 1pb6 h TYR 65 CO 0.02 -0.35 -0.07 0.82 -1.32 0.00 0.00 178.16 177.27 1pb6 h ILE 66 N -0.02 0.19 0.00 1.81 2.04 -1.10 -2.24 117.51 118.19 1pb6 h ILE 66 Ca 0.36 -0.62 -0.20 0.00 1.00 0.00 0.00 64.86 65.40 1pb6 h ILE 66 Cb 0.58 1.52 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 1pb6 h ILE 66 CO -0.81 0.06 -0.96 0.00 0.00 0.00 0.00 178.15 176.44 1pb6 h ALA 67 N 1.93 0.42 0.14 1.87 0.00 0.86 -1.50 119.26 122.99 1pb6 h ALA 67 Ca -0.00 -0.87 -0.28 0.00 0.00 0.00 0.00 54.91 53.76 1pb6 h ALA 67 Cb 0.51 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1pb6 h ALA 67 CO 0.01 1.18 -1.26 -0.39 0.00 0.00 0.00 179.25 178.79 1pb6 h VAL 68 N 0.00 1.42 -0.13 0.00 -1.51 -0.73 -3.03 116.25 112.28 1pb6 h VAL 68 Ca -0.01 -2.86 -0.12 0.00 -1.23 0.00 0.00 66.70 62.48 1pb6 h VAL 68 Cb 1.69 2.88 -0.01 0.00 -2.13 0.00 0.00 31.29 33.72 1pb6 h VAL 68 CO 0.13 0.84 -0.44 -0.07 -1.23 0.00 0.00 177.57 176.80 1pb6 h LEU 69 N 0.13 0.32 -0.97 4.19 3.38 -1.44 -2.65 115.31 118.26 1pb6 h LEU 69 Ca -0.16 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.58 1pb6 h LEU 69 Cb 1.96 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.61 1pb6 h LEU 69 CO 0.22 0.72 -0.42 0.03 0.09 0.00 0.00 178.44 179.08 1pb6 h ARG 70 N 0.25 0.00 -0.16 1.13 2.47 -1.34 -2.63 114.38 114.09 1pb6 h ARG 70 Ca 0.02 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.61 1pb6 h ARG 70 Cb 0.88 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.19 1pb6 h ARG 70 CO 0.07 0.42 -0.47 0.37 0.56 0.00 0.00 179.97 180.92 1pb6 h GLN 71 N 0.00 0.41 0.00 0.04 4.15 -1.35 -1.95 115.11 116.41 1pb6 h GLN 71 Ca -0.00 -0.22 -0.14 0.00 0.77 0.00 0.00 58.65 59.05 1pb6 h GLN 71 Cb 0.90 0.01 0.01 0.00 0.21 0.00 0.00 27.48 28.61 1pb6 h GLN 71 CO 0.06 0.80 -0.55 0.82 -1.93 0.00 0.00 178.83 178.02 1pb6 h ILE 72 N 0.33 1.45 -0.82 2.39 2.04 -1.43 -2.84 117.51 118.62 1pb6 h ILE 72 Ca 0.02 -2.08 0.08 0.00 1.00 0.00 0.00 64.86 63.88 1pb6 h ILE 72 Cb 0.96 2.65 -0.05 0.00 -0.74 0.00 0.00 36.82 39.63 1pb6 h ILE 72 CO 0.08 0.60 0.53 -0.07 0.00 0.00 0.00 178.15 179.29 1pb6 h LEU 73 N -0.18 0.74 -0.97 1.44 3.38 -1.41 0.59 115.31 118.89 1pb6 h LEU 73 Ca -0.07 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 1pb6 h LEU 73 Cb 1.28 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 1pb6 h LEU 73 CO 0.11 0.45 -0.27 0.44 0.09 0.00 0.00 178.44 179.26 1pb6 h ASP 74 N 0.83 0.42 -0.00 -0.43 3.32 -1.31 0.11 116.42 119.35 1pb6 h ASP 74 Ca 0.37 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 1pb6 h ASP 74 Cb 0.34 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1pb6 h ASP 74 CO -0.14 0.69 -0.09 0.40 -1.72 0.00 0.00 179.24 178.38 1pb6 h ILE 75 N 0.37 1.57 -0.10 0.35 2.04 -0.97 -2.58 117.51 118.20 1pb6 h ILE 75 Ca 0.05 -1.80 0.01 0.00 1.00 0.00 0.00 64.86 64.12 1pb6 h ILE 75 Cb 0.67 2.75 -0.02 0.00 -0.74 0.00 0.00 36.82 39.48 1pb6 h ILE 75 CO 0.05 0.48 -0.14 -0.50 0.00 0.00 0.00 178.15 178.03 1pb6 h TRP 76 N -0.64 -0.44 0.00 1.37 -0.00 0.28 -3.03 115.95 113.49 1pb6 h TRP 76 Ca -0.01 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.90 1pb6 h TRP 76 Cb 0.83 0.20 0.00 0.00 -0.00 0.00 0.00 29.16 30.19 1pb6 h TRP 76 CO 0.18 -0.13 0.00 1.28 -0.00 0.00 0.00 178.44 179.77 1pb6 n LEU 77 N -3.38 0.00 -0.09 -4.49 4.77 0.37 -4.16 117.00 110.02 1pb6 n LEU 77 Ca -0.01 0.24 -0.07 0.00 -0.03 0.00 0.00 56.01 56.15 1pb6 n LEU 77 Cb 0.09 -0.24 -0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1pb6 n LEU 77 CO 0.00 -0.09 0.71 0.00 -1.33 0.00 0.00 177.39 176.69 1pb6 h ALA 78 N 2.97 0.01 -0.81 -1.18 0.00 -1.33 -2.02 119.26 116.90 1pb6 h ALA 78 Ca 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1pb6 h ALA 78 Cb 0.16 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1pb6 h ALA 78 CO 0.00 -0.60 0.40 -1.35 0.00 0.00 0.00 179.25 177.70 1pb6 h PRO 79 N -0.17 1.16 -0.49 0.00 0.11 -1.81 -3.10 132.00 127.70 1pb6 h PRO 79 Ca 0.17 -0.16 -0.11 0.00 0.11 0.00 0.00 66.00 66.01 1pb6 h PRO 79 Cb 0.43 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.32 1pb6 h PRO 79 CO -0.44 0.89 -0.11 1.25 -0.21 0.00 0.00 178.00 179.38 1pb6 h LEU 80 N 1.15 0.94 -1.60 2.35 5.85 -1.76 -2.94 115.31 119.31 1pb6 h LEU 80 Ca 0.28 -0.36 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1pb6 h LEU 80 Cb 0.10 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.88 1pb6 h LEU 80 CO -0.04 1.08 0.00 0.11 -0.34 0.00 0.00 178.44 179.25 1pb6 h LYS 81 N 0.79 0.00 0.00 1.25 1.57 -1.34 -2.45 116.57 116.39 1pb6 h LYS 81 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1pb6 h LYS 81 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.97 1pb6 h LYS 81 CO 0.05 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.93 1pb6 h ALA 82 N 2.07 1.00 -1.95 3.86 0.00 -1.44 -3.46 119.26 119.34 1pb6 h ALA 82 Ca 0.00 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.27 1pb6 h ALA 82 Cb 0.30 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.13 1pb6 h ALA 82 CO 0.00 0.00 0.77 1.19 0.00 0.00 0.00 179.25 181.21 1pb6 n PHE 83 N -2.61 2.03 -4.36 0.00 3.01 -0.93 -4.97 117.46 109.63 1pb6 n PHE 83 Ca 0.05 0.36 -0.25 0.00 1.01 0.00 0.00 57.45 58.63 1pb6 n PHE 83 Cb 0.46 -2.49 -0.09 0.00 -0.01 0.00 0.00 39.48 37.35 1pb6 n PHE 83 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1pb6 s ARG 84 N 1.77 1.99 0.41 -1.08 1.81 -1.26 -5.03 118.95 117.56 1pb6 s ARG 84 Ca 0.86 -1.49 0.12 0.00 -1.72 0.00 0.00 55.73 53.50 1pb6 s ARG 84 Cb -0.82 -2.02 0.88 0.00 -0.45 0.00 0.00 34.95 32.53 1pb6 s ARG 84 CO 0.47 0.38 1.95 1.49 -0.68 0.00 0.00 175.30 178.91 1pb6 h GLU 85 N 2.38 0.14 -0.02 3.54 4.81 -1.96 -2.56 114.58 120.92 1pb6 h GLU 85 Ca -0.44 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1pb6 h GLU 85 Cb 1.24 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1pb6 h GLU 85 CO 0.57 0.29 0.00 -0.40 -0.73 0.00 0.00 179.01 178.75 1pb6 n ASP 86 N -4.29 0.18 -4.80 1.04 5.75 -1.26 -4.90 116.55 108.26 1pb6 n ASP 86 Ca -0.01 -1.39 -0.30 0.00 -0.01 0.00 0.00 54.79 53.08 1pb6 n ASP 86 Cb 0.26 -0.01 0.10 0.00 -1.03 0.00 0.00 41.12 40.44 1pb6 n ASP 86 CO 0.00 0.00 0.00 -0.36 -0.11 0.00 0.00 177.20 176.73 1pb6 s PHE 87 N -1.98 2.73 -0.53 2.11 2.99 -0.97 -5.02 117.98 117.33 1pb6 s PHE 87 Ca 0.31 1.04 -0.16 0.00 0.00 0.00 0.00 56.93 58.13 1pb6 s PHE 87 Cb 0.15 -3.22 0.12 0.00 0.00 0.00 0.00 43.02 40.07 1pb6 s PHE 87 CO 0.24 -1.96 0.48 0.00 -0.00 0.00 0.00 175.22 173.98 1pb6 s ALA 88 N -3.21 3.63 0.09 5.36 0.00 -1.26 -5.00 121.76 121.37 1pb6 s ALA 88 Ca 0.62 -2.45 -0.17 0.00 0.00 0.00 0.00 51.96 49.96 1pb6 s ALA 88 Cb -0.14 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 1pb6 s ALA 88 CO 0.54 -1.96 1.12 -0.35 0.00 0.00 0.00 175.76 175.12 1pb6 n PRO 89 N 5.24 -0.24 -0.32 0.00 -0.04 -1.26 -0.90 135.00 137.49 1pb6 n PRO 89 Ca -0.14 1.11 0.07 0.00 -0.04 0.00 0.00 63.50 64.50 1pb6 n PRO 89 Cb 0.41 -1.64 0.23 0.00 -0.04 0.00 0.00 33.50 32.46 1pb6 n PRO 89 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1pb6 h LEU 90 N 0.00 0.68 -0.24 1.53 4.07 -1.94 0.18 115.31 119.59 1pb6 h LEU 90 Ca 0.09 0.07 -0.21 0.00 0.08 0.00 0.00 57.88 57.91 1pb6 h LEU 90 Cb 0.22 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.92 1pb6 h LEU 90 CO -0.52 0.32 -0.80 0.00 -1.08 0.00 0.00 178.44 176.37 1pb6 h ALA 91 N 1.55 0.41 -0.31 1.53 0.00 -1.74 -1.82 119.26 118.88 1pb6 h ALA 91 Ca 0.47 -0.62 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 1pb6 h ALA 91 Cb 0.59 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1pb6 h ALA 91 CO -0.32 0.73 -0.47 0.00 0.00 0.00 0.00 179.25 179.19 1pb6 h ALA 92 N 0.71 0.59 -0.00 0.00 0.00 -0.50 -2.82 119.26 117.23 1pb6 h ALA 92 Ca -0.05 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.26 1pb6 h ALA 92 Cb 1.41 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1pb6 h ALA 92 CO 0.15 0.68 -0.54 0.82 0.00 0.00 0.00 179.25 180.36 1pb6 h ILE 93 N 0.65 1.38 -0.20 0.00 2.04 -0.69 -0.41 117.51 120.29 1pb6 h ILE 93 Ca 0.03 -1.84 -0.01 0.00 1.00 0.00 0.00 64.86 64.05 1pb6 h ILE 93 Cb 1.05 1.99 -0.01 0.00 -0.74 0.00 0.00 36.82 39.11 1pb6 h ILE 93 CO 0.10 0.53 0.10 0.11 0.00 0.00 0.00 178.15 178.99 1pb6 h LYS 94 N 0.01 0.29 0.00 2.37 1.57 -1.23 -2.03 116.57 117.55 1pb6 h LYS 94 Ca -0.00 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 1pb6 h LYS 94 Cb 0.95 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 1pb6 h LYS 94 CO 0.07 0.31 -0.43 0.93 -0.57 0.00 0.00 179.45 179.76 1pb6 h GLU 95 N 0.19 0.00 -0.40 3.15 4.39 -1.42 -2.67 114.58 117.82 1pb6 h GLU 95 Ca 0.07 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.71 1pb6 h GLU 95 Cb 0.12 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 1pb6 h GLU 95 CO -0.01 0.43 0.01 -0.92 -1.16 0.00 0.00 179.01 177.36 1pb6 h TYR 96 N 0.00 0.76 -0.35 4.33 -0.00 -0.94 -2.15 116.97 118.62 1pb6 h TYR 96 Ca -0.00 -0.13 -0.01 0.00 -0.00 0.00 0.00 58.73 58.59 1pb6 h TYR 96 Cb 1.25 -0.20 -0.02 0.00 -0.00 0.00 0.00 36.73 37.77 1pb6 h TYR 96 CO 0.00 0.77 0.19 0.82 -0.00 0.00 0.00 178.16 179.94 1pb6 h ILE 97 N 0.53 1.14 -0.36 1.81 2.04 -1.33 -2.45 117.51 118.87 1pb6 h ILE 97 Ca 0.11 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 1pb6 h ILE 97 Cb 0.46 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 1pb6 h ILE 97 CO 0.02 0.14 0.22 -0.09 0.00 0.00 0.00 178.15 178.44 1pb6 h ARG 98 N 0.44 0.49 -0.84 2.37 2.43 -1.39 -2.16 114.38 115.71 1pb6 h ARG 98 Ca 0.12 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1pb6 h ARG 98 Cb 0.05 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 1pb6 h ARG 98 CO -0.02 0.37 0.56 -0.07 -1.51 0.00 0.00 179.97 179.29 1pb6 h LEU 99 N 0.47 0.96 -0.58 3.80 3.38 -1.28 0.17 115.31 122.22 1pb6 h LEU 99 Ca 0.13 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1pb6 h LEU 99 Cb -0.00 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1pb6 h LEU 99 CO -0.02 0.69 0.04 0.11 0.09 0.00 0.00 178.44 179.34 1pb6 h LYS 100 N 1.13 1.00 -0.08 1.13 1.79 -1.16 -1.66 116.57 118.72 1pb6 h LYS 100 Ca 0.31 -0.30 -0.12 0.00 -2.18 0.00 0.00 60.65 58.37 1pb6 h LYS 100 Cb -0.11 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.43 1pb6 h LYS 100 CO -0.07 0.97 -0.47 -0.07 -1.08 0.00 0.00 179.45 178.74 1pb6 h LEU 101 N 0.90 0.22 -0.19 2.94 3.38 -0.84 -2.18 115.31 119.53 1pb6 h LEU 101 Ca 0.17 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1pb6 h LEU 101 Cb 0.50 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1pb6 h LEU 101 CO 0.02 0.66 0.05 -0.33 0.09 0.00 0.00 178.44 178.93 1pb6 h GLU 102 N 0.17 0.30 -0.15 1.13 5.08 -0.62 -2.09 114.58 118.39 1pb6 h GLU 102 Ca 0.01 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1pb6 h GLU 102 Cb 0.89 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 1pb6 h GLU 102 CO 0.07 0.41 -0.03 0.28 -1.00 0.00 0.00 179.01 178.74 1pb6 h VAL 103 N 0.13 1.12 -0.45 3.13 2.07 -1.18 0.41 116.25 121.48 1pb6 h VAL 103 Ca 0.06 -0.49 -0.08 0.00 0.82 0.00 0.00 66.70 67.00 1pb6 h VAL 103 Cb 0.24 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 1pb6 h VAL 103 CO -0.00 0.16 -0.05 0.28 0.02 0.00 0.00 177.57 177.98 1pb6 h SER 104 N 0.22 0.75 0.13 0.57 0.02 -1.09 0.42 113.55 114.58 1pb6 h SER 104 Ca 0.05 -0.20 -0.24 0.00 -0.84 0.00 0.00 61.79 60.57 1pb6 h SER 104 Cb 0.21 -0.20 0.03 0.00 0.14 0.00 0.00 62.40 62.57 1pb6 h SER 104 CO 0.01 0.85 -1.00 -0.09 -1.14 0.00 0.00 176.83 175.46 1pb6 h ARG 105 N 0.71 0.45 -0.01 3.45 2.43 -0.69 -3.21 114.38 117.51 1pb6 h ARG 105 Ca 0.13 -0.66 -0.25 0.00 -0.81 0.00 0.00 59.98 58.39 1pb6 h ARG 105 Cb 0.51 0.23 0.02 0.00 -0.42 0.00 0.00 29.97 30.31 1pb6 h ARG 105 CO 0.03 1.29 -0.99 -0.44 -1.51 0.00 0.00 179.97 178.34 1pb6 h ASP 106 N -0.06 0.82 -2.09 -3.80 3.45 -0.09 -3.39 116.42 111.24 1pb6 h ASP 106 Ca -0.16 -0.64 -0.55 0.00 0.43 0.00 0.00 57.03 56.11 1pb6 h ASP 106 Cb 1.74 -0.25 -0.40 0.00 -0.56 0.00 0.00 39.33 39.86 1pb6 h ASP 106 CO 0.19 1.44 -0.95 -1.22 -1.57 0.00 0.00 179.24 177.13 1pb6 n TYR 107 N -3.83 1.43 0.26 4.55 4.01 0.15 -4.95 117.16 118.77 1pb6 n TYR 107 Ca -0.10 -3.84 0.12 0.00 -0.16 0.00 0.00 57.90 53.92 1pb6 n TYR 107 Cb 0.86 -0.44 0.68 0.00 -0.31 0.00 0.00 39.34 40.13 1pb6 n TYR 107 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1pb6 h PRO 108 N 3.52 0.00 -0.00 -0.72 0.13 -1.68 -2.78 132.00 130.47 1pb6 h PRO 108 Ca 0.12 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.11 1pb6 h PRO 108 Cb 0.79 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.90 1pb6 h PRO 108 CO 0.61 0.14 -0.66 -0.56 -0.23 0.00 0.00 178.00 177.30 1pb6 h GLN 109 N 0.00 0.02 -0.15 0.86 -0.00 -1.92 -0.84 115.11 113.07 1pb6 h GLN 109 Ca -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.62 1pb6 h GLN 109 Cb 0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.84 1pb6 h GLN 109 CO 0.02 0.67 0.04 0.00 -0.00 0.00 0.00 178.83 179.56 1pb6 h ALA 110 N 1.32 0.19 -0.13 0.06 0.00 -1.85 0.01 119.26 118.87 1pb6 h ALA 110 Ca -0.01 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1pb6 h ALA 110 Cb 1.17 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1pb6 h ALA 110 CO 0.09 -0.19 -0.02 1.03 0.00 0.00 0.00 179.25 180.16 1pb6 h SER 111 N 0.05 -0.08 -0.70 0.00 0.87 -1.48 -1.18 113.55 111.04 1pb6 h SER 111 Ca 0.05 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.66 1pb6 h SER 111 Cb 0.23 0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.21 1pb6 h SER 111 CO -0.00 -0.02 0.45 0.03 -0.53 0.00 0.00 176.83 176.76 1pb6 h ARG 112 N 0.02 0.89 -0.78 2.24 3.08 -1.00 -1.48 114.38 117.35 1pb6 h ARG 112 Ca 0.06 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1pb6 h ARG 112 Cb 0.08 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 1pb6 h ARG 112 CO -0.12 0.59 0.37 1.25 -1.07 0.00 0.00 179.97 180.99 1pb6 h LEU 113 N 0.91 1.03 -0.45 3.04 6.46 -0.66 0.39 115.31 126.04 1pb6 h LEU 113 Ca 0.26 -0.14 -0.06 0.00 -0.12 0.00 0.00 57.88 57.83 1pb6 h LEU 113 Cb -0.06 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 39.58 1pb6 h LEU 113 CO -0.07 0.88 0.05 0.15 -0.62 0.00 0.00 178.44 178.83 1pb6 h PHE 114 N 1.11 0.81 -0.66 1.25 3.04 -0.75 -2.03 116.94 119.72 1pb6 h PHE 114 Ca 0.27 -0.12 -0.07 0.00 3.98 0.00 0.00 57.97 62.03 1pb6 h PHE 114 Cb 0.13 -0.22 -0.03 0.00 2.56 0.00 0.00 35.95 38.39 1pb6 h PHE 114 CO 0.01 0.78 0.14 0.00 -2.02 0.00 0.00 178.31 177.22 1pb6 h MET 116 N 1.00 0.21 -0.30 0.00 4.05 -0.74 -0.17 114.93 118.97 1pb6 h MET 116 Ca 0.21 -0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.54 1pb6 h MET 116 Cb 0.39 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.13 1pb6 h MET 116 CO 0.01 0.14 -0.11 1.49 0.23 0.00 0.00 176.91 178.67 1pb6 h GLU 117 N 0.21 0.51 -0.05 0.39 4.57 -1.15 -2.71 114.58 116.35 1pb6 h GLU 117 Ca 0.22 -0.14 -0.14 0.00 -1.18 0.00 0.00 59.36 58.12 1pb6 h GLU 117 Cb 0.27 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 1pb6 h GLU 117 CO -0.29 0.62 -0.58 1.98 -1.18 0.00 0.00 179.01 179.56 1pb6 h MET 118 N 0.47 0.17 0.00 1.92 4.05 -0.65 -0.04 114.93 120.85 1pb6 h MET 118 Ca 0.09 -0.11 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 1pb6 h MET 118 Cb 0.48 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.29 1pb6 h MET 118 CO 0.03 0.71 -0.06 -0.07 0.23 0.00 0.00 176.91 177.75 1pb6 h LEU 119 N 0.13 0.00 -0.75 3.39 3.38 -0.83 -2.51 115.31 118.13 1pb6 h LEU 119 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pb6 h LEU 119 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1pb6 h LEU 119 CO 0.09 0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.67 1pb6 n ALA 120 N -2.12 2.54 -1.11 1.53 0.00 -1.02 -4.89 120.51 115.44 1pb6 n ALA 120 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1pb6 n ALA 120 Cb 0.43 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.73 1pb6 n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pb6 n GLY 121 N 1.01 0.44 3.78 0.00 0.00 -0.94 -3.99 105.19 105.49 1pb6 n GLY 121 Ca 0.15 -0.97 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 1pb6 n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pb6 n ALA 122 N 0.39 -1.99 -0.14 4.61 0.00 -0.06 -4.88 120.51 118.44 1pb6 n ALA 122 Ca 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 53.44 53.21 1pb6 n ALA 122 Cb 0.10 -1.89 0.01 0.00 0.00 0.00 0.00 19.45 17.67 1pb6 n ALA 122 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1pb6 h PRO 123 N -1.86 -0.13 0.00 0.00 0.11 -1.75 -2.17 132.00 126.21 1pb6 h PRO 123 Ca -0.62 0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.31 1pb6 h PRO 123 Cb 1.36 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.47 1pb6 h PRO 123 CO 0.58 -0.08 -2.11 1.28 -0.21 0.00 0.00 178.00 177.46 1pb6 n LEU 124 N -5.40 0.10 0.08 2.35 4.32 -1.26 -4.51 117.00 112.68 1pb6 n LEU 124 Ca 0.03 0.04 0.12 0.00 -0.02 0.00 0.00 56.01 56.19 1pb6 n LEU 124 Cb 0.31 0.24 0.26 0.00 -1.62 0.00 0.00 43.42 42.61 1pb6 n LEU 124 CO 0.09 0.25 0.55 -0.11 -1.22 0.00 0.00 177.39 176.95 1pb6 n LEU 125 N -2.56 0.75 -0.35 2.23 0.00 -1.19 -4.38 117.00 111.49 1pb6 n LEU 125 Ca -0.18 0.36 0.25 0.00 0.00 0.00 0.00 56.01 56.44 1pb6 n LEU 125 Cb 0.88 -0.23 0.52 0.00 0.00 0.00 0.00 43.42 44.58 1pb6 n LEU 125 CO 0.44 -0.10 1.19 0.24 0.00 0.00 0.00 177.39 179.16 1pb6 h MET 126 N 0.00 0.33 -0.02 1.96 2.86 -1.62 0.28 114.93 118.71 1pb6 h MET 126 Ca 0.00 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.53 1pb6 h MET 126 Cb 0.74 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 1pb6 h MET 126 CO 0.00 0.22 -0.41 -0.44 1.06 0.00 0.00 176.91 177.33 1pb6 h ASP 127 N 0.34 0.04 0.56 1.22 3.32 -1.88 -2.72 116.42 117.31 1pb6 h ASP 127 Ca 0.68 -0.02 -0.13 0.00 0.02 0.00 0.00 57.03 57.58 1pb6 h ASP 127 Cb 1.73 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 41.25 1pb6 h ASP 127 CO -0.41 0.46 -0.61 -0.33 -1.72 0.00 0.00 179.24 176.63 1pb6 h GLU 128 N 0.04 0.05 0.28 3.56 4.39 -1.24 -3.03 114.58 118.63 1pb6 h GLU 128 Ca 0.00 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 1pb6 h GLU 128 Cb 0.75 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 1pb6 h GLU 128 CO 0.06 0.64 -0.14 -0.07 -1.16 0.00 0.00 179.01 178.34 1pb6 h LEU 129 N 0.04 -0.32 -2.58 1.33 4.07 -1.35 -2.45 115.31 114.05 1pb6 h LEU 129 Ca -0.01 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1pb6 h LEU 129 Cb 1.08 0.08 0.00 0.00 1.08 0.00 0.00 40.66 42.91 1pb6 h LEU 129 CO 0.08 0.13 0.04 0.71 -1.08 0.00 0.00 178.44 178.33 1pb6 h THR 130 N -1.10 0.00 0.00 0.22 1.35 -1.62 0.25 112.91 112.01 1pb6 h THR 130 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1pb6 h THR 130 Cb 0.30 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 1pb6 h THR 130 CO 0.06 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.94 1pb6 n GLY 131 N -1.14 0.13 0.31 5.82 0.00 -1.15 -4.52 105.19 104.65 1pb6 n GLY 131 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.93 1pb6 n GLY 131 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pb6 h ASP 132 N 0.00 -0.93 0.77 1.61 3.45 -1.74 -0.29 116.42 119.28 1pb6 h ASP 132 Ca 0.00 0.18 -0.03 0.00 0.43 0.00 0.00 57.03 57.61 1pb6 h ASP 132 Cb 0.00 0.46 -0.00 0.00 -0.56 0.00 0.00 39.33 39.23 1pb6 h ASP 132 CO 0.00 -0.29 -0.47 0.25 -1.57 0.00 0.00 179.24 177.16 1pb6 h LEU 133 N -0.20 -1.19 -0.88 1.55 5.85 -1.47 -0.59 115.31 118.38 1pb6 h LEU 133 Ca 0.19 0.07 0.22 0.00 0.84 0.00 0.00 57.88 59.20 1pb6 h LEU 133 Cb 0.51 0.34 -0.13 0.00 0.37 0.00 0.00 40.66 41.75 1pb6 h LEU 133 CO -0.53 -0.73 0.35 0.50 -0.34 0.00 0.00 178.44 177.69 1pb6 h LYS 134 N -1.16 0.33 0.32 1.25 3.11 -0.31 0.25 116.57 120.35 1pb6 h LYS 134 Ca -0.10 -0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.70 1pb6 h LYS 134 Cb 0.93 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.09 1pb6 h LYS 134 CO 0.11 0.22 -0.17 0.00 -2.81 0.00 0.00 179.45 176.79 1pb6 h ALA 135 N 1.73 -1.07 -0.92 5.00 0.00 -0.74 -1.03 119.26 122.21 1pb6 h ALA 135 Ca 0.56 -0.10 0.26 0.00 0.00 0.00 0.00 54.91 55.62 1pb6 h ALA 135 Cb 1.08 0.24 -0.14 0.00 0.00 0.00 0.00 17.79 18.97 1pb6 h ALA 135 CO -0.56 -1.05 0.38 1.25 0.00 0.00 0.00 179.25 179.27 1pb6 h LEU 136 N -0.45 0.25 -0.51 0.00 7.12 -0.01 -0.45 115.31 121.26 1pb6 h LEU 136 Ca -0.04 0.18 -0.15 0.00 0.13 0.00 0.00 57.88 58.00 1pb6 h LEU 136 Cb 0.36 0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 40.67 1pb6 h LEU 136 CO 0.06 -0.10 -0.45 0.40 -0.13 0.00 0.00 178.44 178.22 1pb6 h ILE 137 N 0.30 1.29 -0.40 4.05 1.08 -0.46 -2.17 117.51 121.21 1pb6 h ILE 137 Ca 0.61 -1.64 -0.02 0.00 -0.39 0.00 0.00 64.86 63.43 1pb6 h ILE 137 Cb 1.26 1.56 -0.02 0.00 -3.07 0.00 0.00 36.82 36.54 1pb6 h ILE 137 CO -0.60 0.53 0.19 0.44 -0.69 0.00 0.00 178.15 178.01 1pb6 h ASP 138 N 0.57 0.53 -0.41 1.72 3.45 0.27 0.18 116.42 122.74 1pb6 h ASP 138 Ca 0.04 -0.13 -0.00 0.00 0.43 0.00 0.00 57.03 57.36 1pb6 h ASP 138 Cb 1.00 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 39.61 1pb6 h ASP 138 CO 0.09 0.52 0.25 -0.08 -1.57 0.00 0.00 179.24 178.45 1pb6 h GLU 139 N 0.51 0.55 0.00 3.56 4.81 -1.31 -1.94 114.58 120.76 1pb6 h GLU 139 Ca 0.14 -0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 59.15 1pb6 h GLU 139 Cb 0.13 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1pb6 h GLU 139 CO -0.02 0.40 -0.83 0.87 -0.73 0.00 0.00 179.01 178.71 1pb6 h LYS 140 N 0.54 0.03 -0.12 1.92 1.79 -1.26 -2.48 116.57 117.00 1pb6 h LYS 140 Ca 0.15 -0.04 -0.07 0.00 -2.18 0.00 0.00 60.65 58.51 1pb6 h LYS 140 Cb -0.02 0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 1pb6 h LYS 140 CO -0.03 0.84 -0.22 0.77 -1.08 0.00 0.00 179.45 179.73 1pb6 h SER 141 N 0.02 0.20 -0.19 0.86 0.02 -0.54 0.27 113.55 114.19 1pb6 h SER 141 Ca -0.01 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 1pb6 h SER 141 Cb 1.45 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.93 1pb6 h SER 141 CO 0.11 0.44 0.02 0.00 -1.14 0.00 0.00 176.83 176.26 1pb6 h ALA 142 N 1.58 0.26 -0.26 3.77 0.00 -1.17 0.40 119.26 123.84 1pb6 h ALA 142 Ca 0.03 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1pb6 h ALA 142 Cb 0.51 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1pb6 h ALA 142 CO 0.03 -0.05 0.01 1.25 0.00 0.00 0.00 179.25 180.50 1pb6 h LEU 143 N 0.11 -0.07 -1.09 0.00 5.85 -0.86 -1.58 115.31 117.67 1pb6 h LEU 143 Ca 0.06 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 1pb6 h LEU 143 Cb 0.35 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 1pb6 h LEU 143 CO 0.01 -0.00 -0.22 0.40 -0.34 0.00 0.00 178.44 178.28 1pb6 h ILE 144 N 0.10 1.24 -0.35 4.05 2.04 -0.89 -1.67 117.51 122.03 1pb6 h ILE 144 Ca 0.12 -1.14 0.01 0.00 1.00 0.00 0.00 64.86 64.86 1pb6 h ILE 144 Cb 0.15 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1pb6 h ILE 144 CO -0.20 0.36 0.23 0.00 0.00 0.00 0.00 178.15 178.54 1pb6 h ALA 145 N 1.43 1.80 0.31 1.87 0.00 -0.06 -2.06 119.26 122.55 1pb6 h ALA 145 Ca 0.06 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1pb6 h ALA 145 Cb 0.58 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1pb6 h ALA 145 CO 0.04 0.17 -0.15 0.78 0.00 0.00 0.00 179.25 180.09 1pb6 h GLY 146 N 0.43 -0.43 -0.63 0.00 0.00 -0.39 -1.70 103.07 100.34 1pb6 h GLY 146 Ca 0.13 0.16 0.12 0.00 0.00 0.00 0.00 47.33 47.74 1pb6 h GLY 146 CO -0.03 -0.16 -0.36 1.49 0.00 0.00 0.00 176.54 177.48 1pb6 h TRP 147 N -0.65 -1.01 -0.62 5.60 -0.00 -1.06 0.39 115.95 118.61 1pb6 h TRP 147 Ca -0.04 0.09 -0.07 0.00 -0.00 0.00 0.00 58.89 58.86 1pb6 h TRP 147 Cb 0.46 0.55 -0.03 0.00 -0.00 0.00 0.00 29.16 30.14 1pb6 h TRP 147 CO 0.00 -0.39 0.11 -0.24 -0.00 0.00 0.00 178.44 177.92 1pb6 h VAL 148 N -0.11 1.25 -0.73 1.49 3.04 -1.42 0.16 116.25 119.94 1pb6 h VAL 148 Ca 0.27 -0.97 -0.05 0.00 -1.01 0.00 0.00 66.70 64.94 1pb6 h VAL 148 Cb 0.57 0.66 -0.03 0.00 -2.01 0.00 0.00 31.29 30.47 1pb6 h VAL 148 CO -0.79 0.36 0.26 0.50 -1.01 0.00 0.00 177.57 176.89 1pb6 h LYS 149 N 0.94 1.11 -0.28 4.17 3.64 -0.29 -2.18 116.57 123.67 1pb6 h LYS 149 Ca 0.19 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1pb6 h LYS 149 Cb 0.39 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1pb6 h LYS 149 CO 0.01 0.92 0.00 0.45 -2.27 0.00 0.00 179.45 178.56 1pb6 n SER 150 N -4.27 0.28 0.00 4.20 2.88 0.02 -4.86 113.62 111.87 1pb6 n SER 150 Ca 0.06 -1.84 0.00 0.00 -1.33 0.00 0.00 58.87 55.76 1pb6 n SER 150 Cb 0.21 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 1pb6 n SER 150 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pb6 n GLY 151 N 0.30 0.12 0.22 0.46 0.00 -0.82 -4.82 105.19 100.65 1pb6 n GLY 151 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1pb6 n GLY 151 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pb6 h LYS 152 N 0.29 0.00 -4.13 1.61 1.57 -1.19 -3.45 116.57 111.27 1pb6 h LYS 152 Ca 0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.60 1pb6 h LYS 152 Cb 0.57 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 32.69 1pb6 h LYS 152 CO 0.00 0.07 -0.70 -0.51 -0.57 0.00 0.00 179.45 177.74 1pb6 s LEU 153 N -6.26 2.30 0.92 2.94 1.43 -1.16 -4.25 118.68 114.60 1pb6 s LEU 153 Ca 0.05 -0.63 -0.11 0.00 -1.03 0.00 0.00 54.13 52.42 1pb6 s LEU 153 Cb 0.06 0.08 0.15 0.00 0.03 0.00 0.00 46.19 46.51 1pb6 s LEU 153 CO 0.65 -0.35 1.11 0.00 0.23 0.00 0.00 176.35 177.98 1pb6 s ALA 154 N -2.03 1.32 -0.43 4.21 0.00 0.88 -4.33 121.76 121.38 1pb6 s ALA 154 Ca -0.10 0.30 -0.28 0.00 0.00 0.00 0.00 51.96 51.88 1pb6 s ALA 154 Cb -0.06 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 1pb6 s ALA 154 CO -0.03 -2.67 1.76 -2.14 0.00 0.00 0.00 175.76 172.68 1pb6 s PRO 155 N -4.72 3.15 -0.06 0.00 0.02 -1.26 -4.78 135.00 127.35 1pb6 s PRO 155 Ca 0.65 1.10 -0.08 0.00 0.02 0.00 0.00 61.00 62.69 1pb6 s PRO 155 Cb -0.21 -4.23 0.02 0.00 0.02 0.00 0.00 34.50 30.10 1pb6 s PRO 155 CO 0.58 -2.08 0.22 -1.50 -0.33 0.00 0.00 177.00 173.89 1pb6 s ILE 156 N 7.34 0.02 -0.09 2.83 1.10 -1.26 -5.12 121.20 126.02 1pb6 s ILE 156 Ca 0.73 -0.17 -0.30 0.00 -0.51 0.00 0.00 60.65 60.40 1pb6 s ILE 156 Cb -0.18 -0.37 -0.03 0.00 0.15 0.00 0.00 42.46 42.03 1pb6 s ILE 156 CO 0.29 -0.09 1.25 -0.62 -2.11 0.00 0.00 174.94 173.66 1pb6 s ASP 157 N -0.29 6.98 0.30 4.50 2.15 -1.26 -4.92 116.67 124.14 1pb6 s ASP 157 Ca -0.04 1.81 0.06 0.00 0.43 0.00 0.00 52.55 54.81 1pb6 s ASP 157 Cb -0.03 -2.55 0.78 0.00 -0.30 0.00 0.00 42.92 40.82 1pb6 s ASP 157 CO 0.01 -0.67 1.71 -0.65 -0.17 0.00 0.00 175.17 175.40 1pb6 h PRO 158 N 7.80 0.45 -0.48 4.34 0.11 -1.93 -2.14 132.00 140.15 1pb6 h PRO 158 Ca -0.32 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.68 1pb6 h PRO 158 Cb 1.14 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 1pb6 h PRO 158 CO 0.91 0.30 -0.01 1.96 -0.21 0.00 0.00 178.00 180.95 1pb6 h GLN 159 N 0.46 0.85 0.00 1.05 4.20 -1.92 -1.48 115.11 118.27 1pb6 h GLN 159 Ca 0.59 -0.28 -0.13 0.00 0.06 0.00 0.00 58.65 58.89 1pb6 h GLN 159 Cb 1.12 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.81 1pb6 h GLN 159 CO -0.51 0.90 -0.64 0.45 -0.67 0.00 0.00 178.83 178.36 1pb6 h HIS 160 N 0.70 0.00 0.00 2.96 3.86 -1.87 -0.51 115.15 120.29 1pb6 h HIS 160 Ca 0.13 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.27 1pb6 h HIS 160 Cb 0.53 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 1pb6 h HIS 160 CO 0.04 0.64 -0.35 1.25 0.86 0.00 0.00 177.93 180.37 1pb6 h LEU 161 N 0.00 0.00 0.23 2.43 7.12 -1.29 0.08 115.31 123.87 1pb6 h LEU 161 Ca -0.01 0.00 -0.33 0.00 0.13 0.00 0.00 57.88 57.67 1pb6 h LEU 161 Cb 1.20 0.00 0.03 0.00 -0.53 0.00 0.00 40.66 41.36 1pb6 h LEU 161 CO 0.08 0.35 -1.53 0.40 -0.13 0.00 0.00 178.44 177.62 1pb6 h ILE 162 N 0.00 1.19 -0.55 4.05 2.04 -1.00 -3.17 117.51 120.07 1pb6 h ILE 162 Ca -0.00 -2.63 -0.11 0.00 1.00 0.00 0.00 64.86 63.11 1pb6 h ILE 162 Cb 1.00 2.97 -0.02 0.00 -0.74 0.00 0.00 36.82 40.03 1pb6 h ILE 162 CO 0.05 0.82 -0.10 -0.26 0.00 0.00 0.00 178.15 178.65 1pb6 h PHE 163 N 0.10 1.17 -0.47 1.37 0.04 -1.01 -2.24 116.94 115.89 1pb6 h PHE 163 Ca -0.28 -0.24 0.07 0.00 2.80 0.00 0.00 57.97 60.32 1pb6 h PHE 163 Cb 2.12 -0.29 -0.06 0.00 2.20 0.00 0.00 35.95 39.92 1pb6 h PHE 163 CO 0.13 1.07 0.13 1.98 -0.60 0.00 0.00 178.31 181.02 1pb6 h MET 164 N 0.93 0.28 0.52 1.51 1.85 -1.08 0.32 114.93 119.26 1pb6 h MET 164 Ca 0.14 -0.02 -0.03 0.00 -0.61 0.00 0.00 59.70 59.19 1pb6 h MET 164 Cb 0.68 -0.06 0.01 0.00 0.43 0.00 0.00 31.60 32.65 1pb6 h MET 164 CO 0.05 0.18 -0.25 0.82 -0.40 0.00 0.00 176.91 177.31 1pb6 h ILE 165 N 0.29 0.46 -0.40 1.77 2.04 -1.50 0.39 117.51 120.56 1pb6 h ILE 165 Ca 0.23 -0.19 0.08 0.00 1.00 0.00 0.00 64.86 65.98 1pb6 h ILE 165 Cb 0.27 0.54 -0.08 0.00 -0.74 0.00 0.00 36.82 36.81 1pb6 h ILE 165 CO -0.27 0.03 -0.13 -0.50 0.00 0.00 0.00 178.15 177.29 1pb6 h TRP 166 N -0.82 -0.29 -0.33 1.37 6.55 -1.20 -1.67 115.95 119.56 1pb6 h TRP 166 Ca -0.07 0.04 -0.04 0.00 0.95 0.00 0.00 58.89 59.77 1pb6 h TRP 166 Cb 0.59 0.19 -0.01 0.00 -0.86 0.00 0.00 29.16 29.06 1pb6 h TRP 166 CO -0.02 -0.20 0.05 0.00 -1.05 0.00 0.00 178.44 177.22 1pb6 h ALA 167 N 1.33 0.44 -0.25 1.49 0.00 -0.23 -1.03 119.26 121.02 1pb6 h ALA 167 Ca 0.20 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1pb6 h ALA 167 Cb 0.34 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1pb6 h ALA 167 CO -0.43 0.13 -0.35 0.66 0.00 0.00 0.00 179.25 179.26 1pb6 h SER 168 N 0.38 0.57 0.18 0.00 4.64 -0.04 -2.75 113.55 116.52 1pb6 h SER 168 Ca 0.10 -0.23 -0.27 0.00 -0.47 0.00 0.00 61.79 60.92 1pb6 h SER 168 Cb 0.35 -0.16 0.02 0.00 -0.31 0.00 0.00 62.40 62.30 1pb6 h SER 168 CO 0.01 0.87 -1.24 0.71 -0.87 0.00 0.00 176.83 176.31 1pb6 h THR 169 N 0.46 1.30 0.00 2.95 1.35 -1.31 -3.32 112.91 114.34 1pb6 h THR 169 Ca 0.05 -2.57 -0.05 0.00 -0.55 0.00 0.00 66.41 63.28 1pb6 h THR 169 Cb 0.83 3.03 -0.01 0.00 -1.73 0.00 0.00 68.15 70.27 1pb6 h THR 169 CO 0.07 0.76 -0.26 1.56 -0.25 0.00 0.00 175.52 177.40 1pb6 h GLN 170 N -0.13 0.00 -1.02 4.72 4.20 -1.30 -3.08 115.11 118.50 1pb6 h GLN 170 Ca -0.23 0.00 0.25 0.00 0.06 0.00 0.00 58.65 58.73 1pb6 h GLN 170 Cb 1.90 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 29.59 1pb6 h GLN 170 CO 0.19 0.26 0.66 1.25 -0.67 0.00 0.00 178.83 180.52 1pb6 h HIS 171 N 0.00 0.64 0.00 2.96 2.76 -1.58 0.27 115.15 120.20 1pb6 h HIS 171 Ca -0.00 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 1pb6 h HIS 171 Cb 0.74 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 29.51 1pb6 h HIS 171 CO 0.00 0.08 -0.10 1.88 -1.30 0.00 0.00 177.93 178.50 1pb6 h TYR 172 N 0.40 0.00 0.00 5.26 -1.99 -1.72 0.19 116.97 119.12 1pb6 h TYR 172 Ca 0.57 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 61.23 1pb6 h TYR 172 Cb 1.44 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 40.16 1pb6 h TYR 172 CO -0.00 0.10 -0.82 0.00 -0.00 0.00 0.00 178.16 177.44 1pb6 n ALA 173 N -2.15 0.60 -0.22 3.88 0.00 -0.02 -3.38 120.51 119.22 1pb6 n ALA 173 Ca 0.00 -0.50 -0.00 0.00 0.00 0.00 0.00 53.44 52.94 1pb6 n ALA 173 Cb 0.36 -0.12 0.11 0.00 0.00 0.00 0.00 19.45 19.80 1pb6 n ALA 173 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1pb6 h ASP 174 N -1.00 0.39 -0.59 0.00 3.32 -1.34 -2.24 116.42 114.97 1pb6 h ASP 174 Ca -0.11 0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1pb6 h ASP 174 Cb 0.79 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1pb6 h ASP 174 CO -0.07 0.24 0.00 0.49 -1.72 0.00 0.00 179.24 178.18 1pb6 n PHE 175 N -4.90 1.59 -0.33 4.55 3.01 0.67 -4.69 117.46 117.38 1pb6 n PHE 175 Ca 0.09 -0.66 0.23 0.00 1.01 0.00 0.00 57.45 58.12 1pb6 n PHE 175 Cb 0.24 -0.32 0.46 0.00 -0.01 0.00 0.00 39.48 39.84 1pb6 n PHE 175 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1pb6 h ALA 176 N 3.83 1.83 -0.73 4.37 0.00 -1.41 0.47 119.26 127.62 1pb6 h ALA 176 Ca 0.00 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1pb6 h ALA 176 Cb 1.59 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 19.60 1pb6 h ALA 176 CO 0.30 -0.64 0.40 -1.35 0.00 0.00 0.00 179.25 177.96 1pb6 h PRO 177 N 0.21 1.02 0.12 0.00 0.11 -1.84 -0.81 132.00 130.82 1pb6 h PRO 177 Ca 0.72 -0.11 -0.29 0.00 0.11 0.00 0.00 66.00 66.43 1pb6 h PRO 177 Cb 1.68 -0.20 0.02 0.00 0.11 0.00 0.00 31.00 32.61 1pb6 h PRO 177 CO -0.67 0.75 -1.23 0.37 -0.21 0.00 0.00 178.00 177.00 1pb6 h GLN 178 N 1.02 0.51 0.16 1.05 4.15 -0.50 -1.53 115.11 119.98 1pb6 h GLN 178 Ca 0.26 -0.72 0.00 0.00 0.77 0.00 0.00 58.65 58.96 1pb6 h GLN 178 Cb 0.03 0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 1pb6 h GLN 178 CO -0.04 1.32 -0.13 0.28 -1.93 0.00 0.00 178.83 178.33 1pb6 h VAL 179 N 0.21 0.71 -0.78 2.39 2.07 -0.96 -2.10 116.25 117.80 1pb6 h VAL 179 Ca -0.17 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.36 1pb6 h VAL 179 Cb 1.91 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 32.35 1pb6 h VAL 179 CO 0.23 0.00 0.51 -0.08 0.02 0.00 0.00 177.57 178.25 1pb6 h GLU 180 N -0.30 1.00 -0.83 1.57 4.81 -1.20 0.17 114.58 119.80 1pb6 h GLU 180 Ca -0.00 -0.06 0.13 0.00 -0.13 0.00 0.00 59.36 59.29 1pb6 h GLU 180 Cb 0.28 -0.23 -0.09 0.00 0.63 0.00 0.00 28.75 29.34 1pb6 h GLU 180 CO -0.02 0.66 0.44 0.00 -0.73 0.00 0.00 179.01 179.36 1pb6 h ALA 181 N 1.30 1.22 0.01 2.92 0.00 -0.91 0.56 119.26 124.36 1pb6 h ALA 181 Ca 0.30 0.07 -0.31 0.00 0.00 0.00 0.00 54.91 54.97 1pb6 h ALA 181 Cb -0.08 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1pb6 h ALA 181 CO -0.08 -0.04 -1.84 1.33 0.00 0.00 0.00 179.25 178.62 1pb6 n VAL 182 N -4.84 1.58 -0.02 0.00 0.24 -0.82 -4.48 118.33 109.99 1pb6 n VAL 182 Ca 0.16 -0.80 0.07 0.00 -2.04 0.00 0.00 64.34 61.73 1pb6 n VAL 182 Cb 0.38 -0.99 -0.15 0.00 -1.47 0.00 0.00 33.84 31.61 1pb6 n VAL 182 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1pb6 n THR 183 N -3.02 0.20 -0.85 3.34 -2.24 0.54 -5.00 114.28 107.24 1pb6 n THR 183 Ca -0.20 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1pb6 n THR 183 Cb 1.07 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 1pb6 n THR 183 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pb6 n GLY 184 N 1.48 0.61 3.28 3.38 0.00 0.20 -5.02 105.19 109.11 1pb6 n GLY 184 Ca -0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.78 1pb6 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pb6 s ALA 185 N -2.16 1.66 0.32 4.61 0.00 -1.26 -4.99 121.76 119.94 1pb6 s ALA 185 Ca 0.00 -1.80 0.03 0.00 0.00 0.00 0.00 51.96 50.19 1pb6 s ALA 185 Cb 0.00 1.26 -0.05 0.00 0.00 0.00 0.00 23.12 24.33 1pb6 s ALA 185 CO 0.00 -0.55 0.09 0.95 0.00 0.00 0.00 175.76 176.25 1pb6 s THR 186 N -3.78 0.85 -1.45 0.00 -4.23 -1.26 -3.58 115.64 102.19 1pb6 s THR 186 Ca 0.38 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 59.01 1pb6 s THR 186 Cb 0.06 -2.65 0.21 0.00 1.34 0.00 0.00 72.50 71.46 1pb6 s THR 186 CO 0.17 0.00 1.28 0.18 -0.54 0.00 0.00 174.62 175.71 1pb6 n LEU 187 N -0.67 0.00 0.01 4.79 4.32 -1.26 -1.52 117.00 122.66 1pb6 n LEU 187 Ca -0.02 0.28 0.12 0.00 -0.02 0.00 0.00 56.01 56.36 1pb6 n LEU 187 Cb 0.66 -0.28 0.26 0.00 -1.62 0.00 0.00 43.42 42.45 1pb6 n LEU 187 CO 0.39 -0.17 0.47 0.54 -1.22 0.00 0.00 177.39 177.40 1pb6 n ARG 188 N -1.28 0.03 -2.87 3.23 1.74 -1.26 -4.56 116.66 111.69 1pb6 n ARG 188 Ca 0.06 0.01 -0.43 0.00 -0.77 0.00 0.00 57.85 56.72 1pb6 n ARG 188 Cb 0.09 -1.52 -0.04 0.00 -1.02 0.00 0.00 32.46 29.97 1pb6 n ARG 188 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1pb6 s ASP 189 N -3.12 6.34 0.23 0.55 1.01 -0.58 -4.94 116.67 116.17 1pb6 s ASP 189 Ca 0.11 -0.38 -0.03 0.00 0.71 0.00 0.00 52.55 52.96 1pb6 s ASP 189 Cb 0.17 -2.42 0.46 0.00 1.01 0.00 0.00 42.92 42.14 1pb6 s ASP 189 CO 0.69 -1.18 1.22 -0.62 0.21 0.00 0.00 175.17 175.50 1pb6 n GLU 190 N 7.31 -0.07 -0.09 8.23 4.71 -1.26 -0.81 120.64 138.65 1pb6 n GLU 190 Ca 0.01 1.20 -0.12 0.00 -0.01 0.00 0.00 57.16 58.24 1pb6 n GLU 190 Cb 0.47 -1.84 -0.04 0.00 -1.01 0.00 0.00 31.44 29.02 1pb6 n GLU 190 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1pb6 h VAL 191 N 0.00 1.29 -0.83 2.62 2.07 -1.95 -3.08 116.25 116.37 1pb6 h VAL 191 Ca 0.42 -1.12 0.02 0.00 0.82 0.00 0.00 66.70 66.83 1pb6 h VAL 191 Cb 0.75 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.92 1pb6 h VAL 191 CO -0.78 0.36 0.54 0.15 0.02 0.00 0.00 177.57 177.86 1pb6 h PHE 192 N 0.30 1.03 -0.41 1.57 3.57 -1.26 -0.26 116.94 121.46 1pb6 h PHE 192 Ca 0.07 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.64 1pb6 h PHE 192 Cb 0.57 -0.35 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 1pb6 h PHE 192 CO 0.05 0.63 0.16 0.35 -2.23 0.00 0.00 178.31 177.27 1pb6 h PHE 193 N 1.09 0.28 -0.59 0.41 3.57 -1.37 0.02 116.94 120.36 1pb6 h PHE 193 Ca 0.31 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.76 1pb6 h PHE 193 Cb -0.09 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 1pb6 h PHE 193 CO -0.02 0.12 0.07 -0.97 -2.23 0.00 0.00 178.31 175.28 1pb6 h ASN 194 N 0.33 0.97 -0.78 0.41 -0.73 -1.32 -0.99 115.58 113.47 1pb6 h ASN 194 Ca 0.19 -0.27 -0.02 0.00 1.87 0.00 0.00 56.30 58.06 1pb6 h ASN 194 Cb 0.16 -0.26 -0.04 0.00 0.27 0.00 0.00 38.32 38.45 1pb6 h ASN 194 CO -0.18 1.00 0.40 1.56 -0.37 0.00 0.00 177.43 179.84 1pb6 h GLN 195 N 0.90 1.11 0.39 6.67 4.20 -0.77 -1.69 115.11 125.92 1pb6 h GLN 195 Ca 0.18 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.72 1pb6 h GLN 195 Cb 0.46 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1pb6 h GLN 195 CO 0.02 0.84 -0.19 1.15 -0.67 0.00 0.00 178.83 179.98 1pb6 h THR 196 N 1.10 0.63 -0.39 -0.54 2.02 -0.60 -1.76 112.91 113.36 1pb6 h THR 196 Ca 0.27 -0.07 0.07 0.00 0.77 0.00 0.00 66.41 67.46 1pb6 h THR 196 Cb 0.08 0.66 -0.07 0.00 -1.74 0.00 0.00 68.15 67.08 1pb6 h THR 196 CO -0.04 0.01 -0.01 0.58 0.37 0.00 0.00 175.52 176.43 1pb6 h VAL 197 N -0.56 0.69 -0.29 3.16 2.07 -1.06 0.08 116.25 120.34 1pb6 h VAL 197 Ca -0.05 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.49 1pb6 h VAL 197 Cb 0.42 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 1pb6 h VAL 197 CO 0.09 0.02 -0.06 -0.33 0.02 0.00 0.00 177.57 177.31 1pb6 h GLU 198 N 0.09 0.02 0.03 1.57 4.39 -1.23 0.77 114.58 120.22 1pb6 h GLU 198 Ca 0.19 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.89 1pb6 h GLU 198 Cb 0.28 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1pb6 h GLU 198 CO -0.34 0.01 -0.01 -0.91 -1.16 0.00 0.00 179.01 176.60 1pb6 h ASN 199 N 0.02 -0.03 -0.69 1.42 2.35 -0.77 0.17 115.58 118.05 1pb6 h ASN 199 Ca 0.14 -0.26 -0.03 0.00 -0.55 0.00 0.00 56.30 55.61 1pb6 h ASN 199 Cb 0.21 0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.56 1pb6 h ASN 199 CO -0.29 0.24 0.34 0.58 -1.65 0.00 0.00 177.43 176.65 1pb6 h VAL 200 N -0.31 1.23 -0.19 2.81 2.07 -0.95 -2.56 116.25 118.36 1pb6 h VAL 200 Ca -0.00 -0.64 -0.15 0.00 0.82 0.00 0.00 66.70 66.72 1pb6 h VAL 200 Cb 0.29 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1pb6 h VAL 200 CO 0.01 0.27 -0.48 1.56 0.02 0.00 0.00 177.57 178.95 1pb6 h GLN 201 N 1.00 0.66 0.73 1.57 4.20 -0.79 -2.89 115.11 119.59 1pb6 h GLN 201 Ca 0.24 -0.46 -0.04 0.00 0.06 0.00 0.00 58.65 58.46 1pb6 h GLN 201 Cb 0.11 0.07 0.01 0.00 0.30 0.00 0.00 27.48 27.96 1pb6 h GLN 201 CO -0.03 1.08 -0.35 -0.09 -0.67 0.00 0.00 178.83 178.76 1pb6 h ARG 202 N 0.34 -0.95 -0.44 1.46 2.43 -0.55 -0.15 114.38 116.53 1pb6 h ARG 202 Ca -0.01 0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.30 1pb6 h ARG 202 Cb 1.10 0.22 -0.06 0.00 -0.42 0.00 0.00 29.97 30.80 1pb6 h ARG 202 CO 0.10 -0.62 0.09 0.82 -1.51 0.00 0.00 179.97 178.86 1pb6 h ILE 203 N -1.04 0.77 0.10 1.20 2.04 -1.58 0.83 117.51 119.83 1pb6 h ILE 203 Ca -0.10 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.68 1pb6 h ILE 203 Cb 0.77 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1pb6 h ILE 203 CO 0.17 0.04 -0.05 0.40 0.00 0.00 0.00 178.15 178.71 1pb6 h ILE 204 N 0.23 1.12 0.27 -0.67 2.04 -1.53 -1.74 117.51 117.22 1pb6 h ILE 204 Ca 0.22 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 1pb6 h ILE 204 Cb 0.27 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1pb6 h ILE 204 CO -0.28 0.22 -0.13 0.40 0.00 0.00 0.00 178.15 178.36 1pb6 h ILE 205 N -0.55 0.76 0.00 -0.67 1.08 -0.94 -1.72 117.51 115.47 1pb6 h ILE 205 Ca -0.01 -0.14 -0.01 0.00 -0.39 0.00 0.00 64.86 64.30 1pb6 h ILE 205 Cb 0.45 0.84 -0.00 0.00 -3.07 0.00 0.00 36.82 35.04 1pb6 h ILE 205 CO 0.02 0.03 -0.05 -0.33 -0.69 0.00 0.00 178.15 177.13 1pb6 h GLU 206 N -0.43 0.00 0.00 2.37 3.07 -0.96 0.29 114.58 118.92 1pb6 h GLU 206 Ca -0.04 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 1pb6 h GLU 206 Cb 0.33 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 1pb6 h GLU 206 CO 0.06 0.05 0.00 0.41 -1.40 0.00 0.00 179.01 178.13 1pb6 n GLY 207 N -1.18 -1.60 0.00 -3.84 0.00 -0.66 -3.67 105.19 94.24 1pb6 n GLY 207 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1pb6 n GLY 207 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1pb6 n ILE 208 N -2.15 0.00 -1.91 -0.61 -5.35 -0.52 -4.93 119.36 103.89 1pb6 n ILE 208 Ca 0.05 -0.44 -0.41 0.00 -0.27 0.00 0.00 62.75 61.68 1pb6 n ILE 208 Cb 0.38 1.05 -0.01 0.00 -1.74 0.00 0.00 39.64 39.32 1pb6 n ILE 208 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1pb6 s ARG 209 N -0.51 4.20 -0.47 6.28 3.52 0.91 -0.09 118.95 132.80 1pb6 s ARG 209 Ca 0.00 2.44 -0.27 0.00 -0.13 0.00 0.00 55.73 57.76 1pb6 s ARG 209 Cb 0.00 -3.03 -0.02 0.00 -1.56 0.00 0.00 34.95 30.34 1pb6 s ARG 209 CO 0.00 -0.44 1.84 -1.25 -0.81 0.00 0.00 175.30 174.63 1pb6 s PRO 210 N -1.49 2.96 0.00 5.12 0.04 -1.26 -4.03 135.00 136.34 1pb6 s PRO 210 Ca 0.54 1.02 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1pb6 s PRO 210 Cb -0.44 -4.30 0.00 0.00 0.04 0.00 0.00 34.50 29.80 1pb6 s PRO 210 CO 0.55 -2.32 0.34 2.89 0.04 0.00 0.00 177.00 178.50