#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0f h GLU 2 N 0.00 0.21 -0.00 1.09 4.39 -2.05 -2.93 114.58 115.29 2k0f h GLU 2 Ca 0.00 -0.01 -0.15 0.00 0.34 0.00 0.00 59.36 59.54 2k0f h GLU 2 Cb 0.00 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 2k0f h GLU 2 CO 0.00 0.14 -0.70 1.05 -1.16 0.00 0.00 179.01 178.34 2k0f h GLU 3 N 0.22 0.01 0.01 2.33 4.11 -2.05 0.14 114.58 119.35 2k0f h GLU 3 Ca 0.17 -0.01 -0.19 0.00 0.07 0.00 0.00 59.36 59.40 2k0f h GLU 3 Cb 0.41 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2k0f h GLU 3 CO -0.03 0.71 -0.89 0.37 0.07 0.00 0.00 179.01 179.24 2k0f h GLN 4 N 0.01 0.04 0.30 1.06 4.15 -1.94 -2.68 115.11 116.04 2k0f h GLN 4 Ca -0.01 -0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 2k0f h GLN 4 Cb 1.24 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.95 2k0f h GLN 4 CO 0.09 0.90 -0.14 0.82 -1.93 0.00 0.00 178.83 178.57 2k0f h ILE 5 N 0.02 0.74 -0.98 2.39 1.08 -1.41 -1.91 117.51 117.44 2k0f h ILE 5 Ca -0.02 -0.28 0.30 0.00 -0.39 0.00 0.00 64.86 64.47 2k0f h ILE 5 Cb 1.56 0.89 -0.18 0.00 -3.07 0.00 0.00 36.82 36.02 2k0f h ILE 5 CO 0.12 0.06 0.15 0.00 -0.69 0.00 0.00 178.15 177.78 2k0f h ALA 6 N 0.12 1.37 0.00 1.87 0.00 -0.81 -1.19 119.26 120.62 2k0f h ALA 6 Ca -0.04 0.32 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 2k0f h ALA 6 Cb 0.40 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2k0f h ALA 6 CO 0.07 -0.63 -0.45 1.49 0.00 0.00 0.00 179.25 179.73 2k0f h GLU 7 N 0.03 0.00 -0.39 0.00 4.81 -1.08 -0.80 114.58 117.15 2k0f h GLU 7 Ca 0.64 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 59.72 2k0f h GLU 7 Cb 1.41 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.78 2k0f h GLU 7 CO -0.87 0.45 -0.35 0.74 -0.73 0.00 0.00 179.01 178.25 2k0f h PHE 8 N 0.00 1.07 -0.04 0.92 0.04 -0.45 -3.07 116.94 115.42 2k0f h PHE 8 Ca -0.00 -0.31 -0.00 0.00 2.80 0.00 0.00 57.97 60.46 2k0f h PHE 8 Cb 0.81 -0.23 -0.00 0.00 2.20 0.00 0.00 35.95 38.73 2k0f h PHE 8 CO 0.00 1.12 0.02 0.87 -0.60 0.00 0.00 178.31 179.72 2k0f h LYS 9 N 0.75 0.05 -0.02 1.51 1.57 -0.72 0.31 116.57 120.02 2k0f h LYS 9 Ca 0.07 -0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.70 2k0f h LYS 9 Cb 0.93 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.21 2k0f h LYS 9 CO 0.09 0.03 -0.66 0.93 -0.57 0.00 0.00 179.45 179.27 2k0f h GLU 10 N 0.05 0.08 0.02 3.15 5.08 -1.40 -1.06 114.58 120.50 2k0f h GLU 10 Ca 0.01 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 2k0f h GLU 10 Cb -0.00 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2k0f h GLU 10 CO -0.00 0.71 -0.29 0.00 -1.00 0.00 0.00 179.01 178.43 2k0f h ALA 11 N 1.27 0.03 -0.89 3.43 0.00 -1.56 -3.04 119.26 118.50 2k0f h ALA 11 Ca -0.01 -0.63 0.08 0.00 0.00 0.00 0.00 54.91 54.35 2k0f h ALA 11 Cb 1.18 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 2k0f h ALA 11 CO 0.09 0.15 0.55 0.35 0.00 0.00 0.00 179.25 180.39 2k0f h PHE 12 N -0.91 1.00 0.00 0.00 3.04 -0.90 -1.12 116.94 118.05 2k0f h PHE 12 Ca -0.07 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.91 2k0f h PHE 12 Cb 1.13 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 39.32 2k0f h PHE 12 CO 0.24 0.47 0.00 0.45 -2.02 0.00 0.00 178.31 177.46 2k0f n SER 13 N -4.63 0.00 0.08 0.41 2.88 -0.41 -1.02 113.62 110.94 2k0f n SER 13 Ca 0.14 0.13 -0.10 0.00 -1.33 0.00 0.00 58.87 57.71 2k0f n SER 13 Cb 0.23 -0.37 -0.10 0.00 -0.75 0.00 0.00 64.21 63.22 2k0f n SER 13 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2k0f h LEU 14 N 0.00 0.20 0.01 2.46 5.85 -1.08 -3.36 115.31 119.39 2k0f h LEU 14 Ca 0.00 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 2k0f h LEU 14 Cb 0.32 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.28 2k0f h LEU 14 CO 0.00 1.11 -0.01 -0.26 -0.34 0.00 0.00 178.44 178.95 2k0f h PHE 15 N 0.05 -0.02 -1.96 1.25 0.04 -1.30 -3.44 116.94 111.55 2k0f h PHE 15 Ca -0.06 -0.00 -0.60 0.00 2.80 0.00 0.00 57.97 60.11 2k0f h PHE 15 Cb 1.77 0.01 0.01 0.00 2.20 0.00 0.00 35.95 39.93 2k0f h PHE 15 CO 0.03 0.07 1.26 -3.47 -0.60 0.00 0.00 178.31 175.60 2k0f n ASP 16 N -4.78 3.39 0.01 2.17 2.03 -0.19 -4.68 116.55 114.50 2k0f n ASP 16 Ca -0.01 0.70 0.12 0.00 0.52 0.00 0.00 54.79 56.12 2k0f n ASP 16 Cb 0.05 -1.43 0.17 0.00 -0.72 0.00 0.00 41.12 39.18 2k0f n ASP 16 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2k0f n LYS 17 N 7.55 0.07 -0.04 -0.67 4.76 -1.26 -4.32 118.16 124.24 2k0f n LYS 17 Ca 0.26 0.01 -0.03 0.00 -2.87 0.00 0.00 58.31 55.68 2k0f n LYS 17 Cb 0.35 -1.53 -0.01 0.00 -1.84 0.00 0.00 35.03 32.00 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2k0f h ASP 18 N 0.00 0.00 0.00 4.39 3.32 -1.90 -3.49 116.42 118.74 2k0f h ASP 18 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2k0f h ASP 18 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 2k0f h ASP 18 CO 0.00 0.44 0.00 0.61 -1.72 0.00 0.00 179.24 178.57 2k0f n GLY 19 N 1.68 1.76 0.11 2.75 0.00 -1.26 -5.02 105.19 105.22 2k0f n GLY 19 Ca -0.04 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.03 2k0f n GLY 19 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 20 N 0.00 0.00 0.00 1.61 2.03 -1.95 -3.48 116.42 114.63 2k0f h ASP 20 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2k0f h ASP 20 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2k0f h ASP 20 CO 0.00 0.35 0.00 0.61 -1.03 0.00 0.00 179.24 179.17 2k0f n GLY 21 N 1.29 1.43 3.13 7.15 0.00 -1.26 -5.12 105.19 111.82 2k0f n GLY 21 Ca -0.05 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 2k0f n GLY 21 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 22 N -2.00 0.08 -0.11 2.61 -4.23 -1.26 -3.99 115.64 106.74 2k0f s THR 22 Ca 0.00 -0.67 0.01 0.00 -1.18 0.00 0.00 61.69 59.85 2k0f s THR 22 Cb 0.00 -0.48 -0.02 0.00 1.34 0.00 0.00 72.50 73.34 2k0f s THR 22 CO 0.00 -0.37 -0.14 -0.63 -0.54 0.00 0.00 174.62 172.94 2k0f s ILE 23 N -1.44 2.95 0.67 2.99 1.01 -1.04 -4.69 121.20 121.66 2k0f s ILE 23 Ca -0.14 -0.71 0.03 0.00 0.00 0.00 0.00 60.65 59.83 2k0f s ILE 23 Cb -0.07 -2.21 0.12 0.00 0.01 0.00 0.00 42.46 40.31 2k0f s ILE 23 CO 0.02 0.54 0.92 0.42 0.00 0.00 0.00 174.94 176.85 2k0f s THR 24 N 0.09 2.12 0.39 2.92 -4.23 -1.26 -3.12 115.64 112.56 2k0f s THR 24 Ca -0.06 -0.75 0.07 0.00 -1.18 0.00 0.00 61.69 59.76 2k0f s THR 24 Cb -0.15 -2.37 0.28 0.00 1.34 0.00 0.00 72.50 71.60 2k0f s THR 24 CO 0.05 0.00 2.03 0.71 -0.54 0.00 0.00 174.62 176.87 2k0f h THR 25 N -0.28 1.09 0.22 3.99 1.35 -1.94 -1.88 112.91 115.45 2k0f h THR 25 Ca -0.34 -0.22 -0.01 0.00 -0.55 0.00 0.00 66.41 65.30 2k0f h THR 25 Cb 1.27 0.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 2k0f h THR 25 CO 0.40 0.12 -0.11 0.11 -0.25 0.00 0.00 175.52 175.79 2k0f h LYS 26 N 0.63 -0.29 -0.59 4.72 1.79 -1.97 -0.52 116.57 120.34 2k0f h LYS 26 Ca 0.20 0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.72 2k0f h LYS 26 Cb 0.03 0.07 -0.04 0.00 -1.58 0.00 0.00 32.23 30.71 2k0f h LYS 26 CO -0.05 0.09 0.36 0.93 -1.08 0.00 0.00 179.45 179.70 2k0f h GLU 27 N -0.77 0.70 0.09 3.15 5.08 -1.88 -1.69 114.58 119.26 2k0f h GLU 27 Ca -0.03 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2k0f h GLU 27 Cb 0.51 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2k0f h GLU 27 CO 0.05 0.46 -0.12 1.25 -1.00 0.00 0.00 179.01 179.65 2k0f h LEU 28 N 0.72 -0.33 -0.76 1.33 5.85 -1.39 -3.20 115.31 117.53 2k0f h LEU 28 Ca 0.24 0.04 0.17 0.00 0.84 0.00 0.00 57.88 59.17 2k0f h LEU 28 Cb 0.01 0.13 -0.13 0.00 0.37 0.00 0.00 40.66 41.04 2k0f h LEU 28 CO -0.10 -0.18 0.05 1.23 -0.34 0.00 0.00 178.44 179.10 2k0f h GLY 29 N -0.25 0.90 1.37 3.75 0.00 -0.71 -1.51 103.07 106.62 2k0f h GLY 29 Ca 0.02 0.08 -0.08 0.00 0.00 0.00 0.00 47.33 47.34 2k0f h GLY 29 CO -0.06 -0.28 -0.07 0.00 0.00 0.00 0.00 176.54 176.13 2k0f h THR 30 N 0.13 1.25 -0.79 4.70 1.03 -1.37 -0.43 112.91 117.44 2k0f h THR 30 Ca 0.42 -1.10 -0.05 0.00 -0.01 0.00 0.00 66.41 65.67 2k0f h THR 30 Cb 0.75 0.99 -0.03 0.00 -1.07 0.00 0.00 68.15 68.79 2k0f h THR 30 CO -0.64 0.38 0.31 0.58 -0.01 0.00 0.00 175.52 176.14 2k0f h VAL 31 N 0.70 1.26 0.42 0.00 2.07 -1.48 -1.37 116.25 117.84 2k0f h VAL 31 Ca 0.13 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 2k0f h VAL 31 Cb 0.53 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2k0f h VAL 31 CO 0.03 0.34 -0.20 0.24 0.02 0.00 0.00 177.57 178.00 2k0f h MET 32 N 1.15 -0.54 0.00 1.57 2.86 -0.97 -1.67 114.93 117.33 2k0f h MET 32 Ca 0.26 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.94 2k0f h MET 32 Cb 0.22 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.01 2k0f h MET 32 CO -0.02 -0.29 0.00 2.89 1.06 0.00 0.00 176.91 180.55 2k0f n ARG 33 N -5.27 0.16 0.07 1.72 1.85 -0.20 -0.13 116.66 114.85 2k0f n ARG 33 Ca -0.11 0.39 -0.04 0.00 -1.00 0.00 0.00 57.85 57.09 2k0f n ARG 33 Cb 0.27 -1.80 0.17 0.00 -1.05 0.00 0.00 32.46 30.05 2k0f n ARG 33 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 2k0f h SER 34 N 0.00 0.33 0.00 2.89 0.02 -0.97 -3.30 113.55 112.52 2k0f h SER 34 Ca 0.00 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.80 2k0f h SER 34 Cb 0.34 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.79 2k0f h SER 34 CO 0.00 0.75 0.00 0.18 -1.14 0.00 0.00 176.83 176.62 2k0f n LEU 35 N -3.98 1.07 0.00 5.07 4.77 -0.34 -4.76 117.00 118.82 2k0f n LEU 35 Ca -0.02 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 2k0f n LEU 35 Cb 0.53 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2k0f n LEU 35 CO 0.43 -0.19 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 2k0f n GLY 36 N 1.01 0.00 2.99 -0.72 0.00 0.81 -5.09 105.19 104.19 2k0f n GLY 36 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2k0f n GLY 36 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k0f s GLN 37 N 0.00 1.84 -0.43 1.61 2.00 -0.93 -4.96 119.66 118.79 2k0f s GLN 37 Ca 0.00 -1.17 -0.20 0.00 -2.00 0.00 0.00 55.36 51.99 2k0f s GLN 37 Cb 0.00 -2.72 0.02 0.00 0.80 0.00 0.00 33.01 31.11 2k0f s GLN 37 CO 0.00 -0.61 0.63 1.21 -0.50 0.00 0.00 175.29 176.02 2k0f s ASN 38 N 1.27 6.32 0.61 6.67 3.84 -1.26 -1.17 114.94 131.21 2k0f s ASN 38 Ca -0.06 -0.34 -0.16 0.00 0.21 0.00 0.00 52.86 52.52 2k0f s ASN 38 Cb -0.19 -2.31 -0.03 0.00 -0.55 0.00 0.00 41.25 38.17 2k0f s ASN 38 CO -0.06 -0.75 1.07 -2.16 -2.79 0.00 0.00 177.10 172.41 2k0f s PRO 39 N 2.76 3.17 0.16 0.43 0.04 -1.26 -5.03 135.00 135.26 2k0f s PRO 39 Ca 0.22 1.27 -0.30 0.00 0.04 0.00 0.00 61.00 62.23 2k0f s PRO 39 Cb -0.14 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.32 2k0f s PRO 39 CO 0.18 -0.94 1.01 0.95 0.04 0.00 0.00 177.00 178.24 2k0f s THR 40 N -2.40 4.21 0.06 1.26 -4.23 -1.26 -5.01 115.64 108.28 2k0f s THR 40 Ca 0.65 1.92 -0.07 0.00 -1.18 0.00 0.00 61.69 63.00 2k0f s THR 40 Cb -0.17 -4.22 -0.30 0.00 1.34 0.00 0.00 72.50 69.14 2k0f s THR 40 CO 0.38 0.33 1.11 -0.33 -0.54 0.00 0.00 174.62 175.57 2k0f h GLU 41 N 5.17 0.34 -0.94 3.99 5.08 -1.99 -3.11 114.58 123.12 2k0f h GLU 41 Ca -0.44 -0.57 0.06 0.00 -1.00 0.00 0.00 59.36 57.40 2k0f h GLU 41 Cb 1.21 0.21 -0.06 0.00 0.50 0.00 0.00 28.75 30.61 2k0f h GLU 41 CO 0.71 1.27 0.61 0.00 -1.00 0.00 0.00 179.01 180.61 2k0f h ALA 42 N 0.48 1.45 -0.05 3.43 0.00 -2.01 -1.76 119.26 120.81 2k0f h ALA 42 Ca -0.16 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.54 2k0f h ALA 42 Cb 2.02 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 2k0f h ALA 42 CO 0.22 0.42 -0.74 0.93 0.00 0.00 0.00 179.25 180.09 2k0f h GLU 43 N 1.11 0.31 0.00 0.00 3.07 -2.00 -3.16 114.58 113.91 2k0f h GLU 43 Ca 0.39 -0.26 -0.11 0.00 -0.50 0.00 0.00 59.36 58.88 2k0f h GLU 43 Cb 0.13 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 2k0f h GLU 43 CO -0.14 0.92 -0.52 1.25 -1.40 0.00 0.00 179.01 179.11 2k0f h LEU 44 N 0.21 0.00 -0.07 1.33 5.85 -1.26 -2.89 115.31 118.49 2k0f h LEU 44 Ca -0.03 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.61 2k0f h LEU 44 Cb 1.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.34 2k0f h LEU 44 CO 0.12 0.52 -0.26 -0.61 -0.34 0.00 0.00 178.44 177.87 2k0f h GLN 45 N 0.00 0.30 -0.71 1.25 4.15 -1.41 -2.93 115.11 115.75 2k0f h GLN 45 Ca -0.01 -0.23 0.08 0.00 0.77 0.00 0.00 58.65 59.27 2k0f h GLN 45 Cb 1.01 0.04 -0.07 0.00 0.21 0.00 0.00 27.48 28.68 2k0f h GLN 45 CO 0.07 0.87 0.37 0.22 -1.93 0.00 0.00 178.83 178.43 2k0f h ASP 46 N -0.20 0.52 -0.53 -0.69 3.58 -1.55 -1.32 116.42 116.22 2k0f h ASP 46 Ca -0.01 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.47 2k0f h ASP 46 Cb 0.91 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.89 2k0f h ASP 46 CO 0.06 0.31 0.25 0.24 -2.88 0.00 0.00 179.24 177.21 2k0f h MET 47 N 0.65 0.77 -0.07 0.28 2.86 -1.50 -2.99 114.93 114.93 2k0f h MET 47 Ca 0.34 -0.12 -0.08 0.00 -2.06 0.00 0.00 59.70 57.78 2k0f h MET 47 Cb 0.31 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 2k0f h MET 47 CO -0.24 0.64 -0.35 0.82 1.06 0.00 0.00 176.91 178.84 2k0f h ILE 48 N 0.72 1.27 -0.03 -1.22 1.08 -1.32 -2.64 117.51 115.37 2k0f h ILE 48 Ca 0.18 -1.29 0.01 0.00 -0.39 0.00 0.00 64.86 63.37 2k0f h ILE 48 Cb 0.13 1.61 -0.00 0.00 -3.07 0.00 0.00 36.82 35.48 2k0f h ILE 48 CO -0.02 0.38 0.03 -1.13 -0.69 0.00 0.00 178.15 176.72 2k0f h ASN 49 N 0.11 0.00 -0.08 1.72 -0.00 -1.11 0.12 115.58 116.34 2k0f h ASN 49 Ca 0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.28 2k0f h ASN 49 Cb 0.67 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.99 2k0f h ASN 49 CO 0.05 0.00 -0.08 -0.08 -0.00 0.00 0.00 177.43 177.32 2k0f h GLU 50 N 0.00 0.20 -0.67 6.67 4.81 -1.35 -3.07 114.58 121.18 2k0f h GLU 50 Ca 0.01 -0.11 -0.07 0.00 -0.13 0.00 0.00 59.36 59.06 2k0f h GLU 50 Cb 0.08 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 2k0f h GLU 50 CO -0.00 0.63 0.12 0.28 -0.73 0.00 0.00 179.01 179.31 2k0f h VAL 51 N -0.22 1.26 -1.34 0.32 2.07 -1.41 -3.43 116.25 113.51 2k0f h VAL 51 Ca 0.01 -1.01 -0.36 0.00 0.82 0.00 0.00 66.70 66.16 2k0f h VAL 51 Cb 0.59 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2k0f h VAL 51 CO 0.02 0.38 1.10 -0.62 0.02 0.00 0.00 177.57 178.47 2k0f s ASP 52 N -6.45 4.70 -0.07 0.57 2.15 0.33 -4.87 116.67 113.03 2k0f s ASP 52 Ca -0.12 0.37 -0.03 0.00 0.43 0.00 0.00 52.55 53.19 2k0f s ASP 52 Cb 0.14 -2.53 -0.02 0.00 -0.30 0.00 0.00 42.92 40.21 2k0f s ASP 52 CO 0.85 -2.90 0.15 0.00 -0.17 0.00 0.00 175.17 173.10 2k0f h ALA 53 N 15.52 -0.14 -3.00 3.66 0.00 -1.84 -3.43 119.26 130.04 2k0f h ALA 53 Ca -0.15 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2k0f h ALA 53 Cb 1.14 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2k0f h ALA 53 CO 1.16 -0.13 0.00 -0.40 0.00 0.00 0.00 179.25 179.88 2k0f n ASP 54 N -4.39 0.00 0.00 0.00 5.68 -1.26 -5.00 116.55 111.58 2k0f n ASP 54 Ca -0.01 0.41 0.00 0.00 -0.50 0.00 0.00 54.79 54.68 2k0f n ASP 54 Cb 0.05 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.03 2k0f n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 55 N -0.61 -0.36 0.16 6.12 0.00 -1.26 -5.05 105.19 104.19 2k0f n GLY 55 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2k0f n GLY 55 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 56 N 0.00 0.00 0.00 1.61 -1.07 -1.95 -3.48 115.58 110.70 2k0f h ASN 56 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.36 2k0f h ASN 56 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2k0f h ASN 56 CO 0.00 0.01 0.00 0.61 0.07 0.00 0.00 177.43 178.12 2k0f n GLY 57 N 1.16 0.74 3.23 9.14 0.00 -1.26 -5.07 105.19 113.13 2k0f n GLY 57 Ca 0.02 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 2k0f n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 58 N -2.00 0.63 -0.41 2.61 -4.23 -1.26 -4.84 115.64 106.13 2k0f s THR 58 Ca 0.00 -1.97 -0.18 0.00 -1.18 0.00 0.00 61.69 58.36 2k0f s THR 58 Cb 0.00 -2.10 0.02 0.00 1.34 0.00 0.00 72.50 71.75 2k0f s THR 58 CO 0.00 -0.48 0.50 -0.51 -0.54 0.00 0.00 174.62 173.59 2k0f s ILE 59 N -3.69 5.01 0.79 2.99 2.07 -1.18 -4.77 121.20 122.41 2k0f s ILE 59 Ca 0.24 -0.08 -0.10 0.00 -1.41 0.00 0.00 60.65 59.29 2k0f s ILE 59 Cb 0.06 -4.06 0.10 0.00 0.13 0.00 0.00 42.46 38.69 2k0f s ILE 59 CO 0.04 -0.42 1.13 -1.81 -1.91 0.00 0.00 174.94 171.96 2k0f s ASP 60 N 1.85 4.31 0.07 4.50 1.11 -1.26 -2.48 116.67 124.77 2k0f s ASP 60 Ca 0.16 0.44 -0.17 0.00 0.18 0.00 0.00 52.55 53.16 2k0f s ASP 60 Cb -0.16 -0.89 -0.11 0.00 1.07 0.00 0.00 42.92 42.84 2k0f s ASP 60 CO 0.15 -1.96 1.40 0.15 1.18 0.00 0.00 175.17 176.09 2k0f h PHE 61 N -0.96 0.64 -0.05 4.23 3.57 -1.98 0.08 116.94 122.47 2k0f h PHE 61 Ca -0.44 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 60.87 2k0f h PHE 61 Cb 1.30 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.90 2k0f h PHE 61 CO -0.04 0.85 -0.00 -1.35 -2.23 0.00 0.00 178.31 175.54 2k0f h PRO 62 N 0.24 0.06 0.07 6.41 0.11 -1.96 -2.78 132.00 134.15 2k0f h PRO 62 Ca 0.04 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 2k0f h PRO 62 Cb 0.73 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.82 2k0f h PRO 62 CO 0.05 0.07 -0.03 0.93 -0.21 0.00 0.00 178.00 178.81 2k0f h GLU 63 N 0.07 -0.09 -0.96 1.05 5.08 -1.89 -2.22 114.58 115.61 2k0f h GLU 63 Ca 0.02 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.49 2k0f h GLU 63 Cb 0.05 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.25 2k0f h GLU 63 CO 0.00 0.11 0.62 0.35 -1.00 0.00 0.00 179.01 179.08 2k0f h PHE 64 N -0.27 1.07 -0.38 4.33 3.57 -0.77 -1.46 116.94 123.04 2k0f h PHE 64 Ca -0.01 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 2k0f h PHE 64 Cb 0.24 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 2k0f h PHE 64 CO -0.01 0.47 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.42 2k0f h LEU 65 N 0.97 0.69 -2.04 0.59 3.38 -1.35 0.43 115.31 117.99 2k0f h LEU 65 Ca 0.46 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 2k0f h LEU 65 Cb 0.43 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 2k0f h LEU 65 CO -0.22 0.86 -0.09 0.74 0.09 0.00 0.00 178.44 179.82 2k0f h THR 66 N 0.50 0.65 0.00 0.22 2.02 -0.98 -0.44 112.91 114.88 2k0f h THR 66 Ca 0.10 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.90 2k0f h THR 66 Cb 0.54 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 2k0f h THR 66 CO 0.03 0.09 0.00 0.80 0.37 0.00 0.00 175.52 176.81 2k0f n MET 67 N -3.82 0.00 0.03 6.66 0.00 -0.59 -4.03 117.12 115.38 2k0f n MET 67 Ca -0.02 0.29 -0.19 0.00 -0.00 0.00 0.00 57.70 57.77 2k0f n MET 67 Cb 0.19 -0.88 -0.11 0.00 0.00 0.00 0.00 33.22 32.42 2k0f n MET 67 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 175.97 176.49 2k0f h MET 68 N 0.00 0.55 -0.60 2.12 2.86 -0.17 -2.87 114.93 116.83 2k0f h MET 68 Ca 0.00 -0.63 0.00 0.00 -2.06 0.00 0.00 59.70 57.01 2k0f h MET 68 Cb 0.00 0.19 0.00 0.00 0.06 0.00 0.00 31.60 31.85 2k0f h MET 68 CO 0.00 1.24 0.00 0.00 1.06 0.00 0.00 176.91 179.21 2k0f n ALA 69 N -2.63 2.80 -1.77 6.32 0.00 -0.18 -4.80 120.51 120.25 2k0f n ALA 69 Ca -0.11 -0.67 -0.39 0.00 0.00 0.00 0.00 53.44 52.27 2k0f n ALA 69 Cb 0.81 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.21 2k0f n ALA 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k0f s ARG 70 N -1.67 4.35 -0.43 0.00 3.52 -1.08 -4.94 118.95 118.70 2k0f s ARG 70 Ca 0.21 1.78 -0.23 0.00 -0.13 0.00 0.00 55.73 57.36 2k0f s ARG 70 Cb 0.14 -2.89 0.02 0.00 -1.56 0.00 0.00 34.95 30.66 2k0f s ARG 70 CO 0.10 -0.04 0.77 0.21 -0.81 0.00 0.00 175.30 175.52 2k0f s LYS 71 N -1.94 3.47 0.54 5.12 2.20 -1.26 -5.05 119.74 122.82 2k0f s LYS 71 Ca 0.51 -0.04 0.05 0.00 -0.36 0.00 0.00 55.97 56.12 2k0f s LYS 71 Cb -0.30 -3.91 0.05 0.00 -1.51 0.00 0.00 37.83 32.16 2k0f s LYS 71 CO 0.38 -1.05 0.75 -1.64 -0.36 0.00 0.00 175.35 173.43 2k0f s MET 72 N 3.20 2.46 0.87 4.03 -1.94 -1.26 -5.11 119.30 121.54 2k0f s MET 72 Ca 0.29 -1.13 -0.12 0.00 -1.71 0.00 0.00 55.69 53.02 2k0f s MET 72 Cb -0.13 -2.58 0.11 0.00 2.01 0.00 0.00 34.83 34.25 2k0f s MET 72 CO 0.21 -0.71 1.11 0.21 -0.01 0.00 0.00 175.02 175.83 2k0f s LYS 73 N -4.67 1.52 0.10 2.03 2.20 -1.26 -4.72 119.74 114.93 2k0f s LYS 73 Ca 0.59 0.54 -0.24 0.00 -0.36 0.00 0.00 55.97 56.50 2k0f s LYS 73 Cb -0.09 -1.86 -0.08 0.00 -1.51 0.00 0.00 37.83 34.29 2k0f s LYS 73 CO 0.38 -1.99 1.40 0.38 -0.36 0.00 0.00 175.35 175.16 2k0f h ASP 74 N -1.35 -1.37 0.62 1.43 2.03 -1.99 -1.16 116.42 114.63 2k0f h ASP 74 Ca -0.49 0.18 -0.19 0.00 -0.73 0.00 0.00 57.03 55.80 2k0f h ASP 74 Cb 1.30 0.56 -0.01 0.00 -0.83 0.00 0.00 39.33 40.34 2k0f h ASP 74 CO 0.59 -0.29 -0.86 0.71 -1.03 0.00 0.00 179.24 178.36 2k0f h THR 75 N -0.28 1.51 -0.20 1.15 1.35 -1.99 -3.06 112.91 111.38 2k0f h THR 75 Ca 0.05 -2.64 -0.02 0.00 -0.55 0.00 0.00 66.41 63.26 2k0f h THR 75 Cb 0.43 2.47 -0.01 0.00 -1.73 0.00 0.00 68.15 69.31 2k0f h THR 75 CO -0.44 0.77 0.06 0.44 -0.25 0.00 0.00 175.52 176.09 2k0f h ASP 76 N 0.09 0.30 -0.88 5.36 5.19 -1.89 0.17 116.42 124.76 2k0f h ASP 76 Ca -0.04 -0.22 0.23 0.00 -0.62 0.00 0.00 57.03 56.39 2k0f h ASP 76 Cb 1.49 -0.08 -0.05 0.00 0.18 0.00 0.00 39.33 40.87 2k0f h ASP 76 CO 0.13 0.44 0.61 -1.28 -3.12 0.00 0.00 179.24 176.02 2k0f h SER 77 N 0.15 0.17 0.58 6.45 0.87 -1.14 -0.63 113.55 120.01 2k0f h SER 77 Ca 0.06 0.02 -0.25 0.00 -1.23 0.00 0.00 61.79 60.39 2k0f h SER 77 Cb 0.25 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.16 2k0f h SER 77 CO -0.00 0.06 -1.58 -0.33 -0.53 0.00 0.00 176.83 174.45 2k0f h GLU 78 N 0.17 0.00 -0.53 2.24 5.08 -1.38 -3.38 114.58 116.78 2k0f h GLU 78 Ca 0.44 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.70 2k0f h GLU 78 Cb 1.45 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.69 2k0f h GLU 78 CO -0.08 0.46 -0.06 1.49 -1.00 0.00 0.00 179.01 179.82 2k0f h GLU 79 N 0.00 0.97 -0.19 2.33 4.81 0.85 -2.57 114.58 120.78 2k0f h GLU 79 Ca -0.24 -0.34 0.06 0.00 -0.13 0.00 0.00 59.36 58.71 2k0f h GLU 79 Cb 1.88 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 31.12 2k0f h GLU 79 CO 0.07 1.01 -0.30 1.49 -0.73 0.00 0.00 179.01 180.55 2k0f h GLU 80 N 0.84 -0.33 -0.52 1.92 4.81 -1.55 -2.65 114.58 117.11 2k0f h GLU 80 Ca 0.14 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.42 2k0f h GLU 80 Cb 0.61 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.03 2k0f h GLU 80 CO 0.04 -0.22 0.31 0.82 -0.73 0.00 0.00 179.01 179.23 2k0f h ILE 81 N -0.34 1.04 -0.75 2.32 2.04 -1.64 -2.08 117.51 118.10 2k0f h ILE 81 Ca 0.12 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 2k0f h ILE 81 Cb 0.52 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 36.95 2k0f h ILE 81 CO -0.39 0.11 0.43 0.03 0.00 0.00 0.00 178.15 178.34 2k0f h ARG 82 N 0.61 1.03 -0.14 2.37 3.08 -1.20 0.50 114.38 120.63 2k0f h ARG 82 Ca 0.21 -0.10 -0.17 0.00 0.07 0.00 0.00 59.98 59.99 2k0f h ARG 82 Cb 0.03 -0.21 0.01 0.00 0.08 0.00 0.00 29.97 29.88 2k0f h ARG 82 CO -0.10 0.74 -0.56 0.93 -1.07 0.00 0.00 179.97 179.91 2k0f h GLU 83 N 1.04 0.62 0.00 0.04 4.39 -1.42 -3.18 114.58 116.08 2k0f h GLU 83 Ca 0.27 -0.49 -0.09 0.00 0.34 0.00 0.00 59.36 59.39 2k0f h GLU 83 Cb -0.00 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2k0f h GLU 83 CO -0.05 1.11 -0.41 0.00 -1.16 0.00 0.00 179.01 178.50 2k0f h ALA 84 N 0.52 1.29 -0.22 3.43 0.00 -0.64 -1.82 119.26 121.82 2k0f h ALA 84 Ca -0.03 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.53 2k0f h ALA 84 Cb 1.20 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2k0f h ALA 84 CO 0.12 0.51 0.07 0.35 0.00 0.00 0.00 179.25 180.30 2k0f h PHE 85 N 0.00 0.13 0.00 0.00 3.57 -0.99 -2.97 116.94 116.68 2k0f h PHE 85 Ca -0.00 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 2k0f h PHE 85 Cb 0.74 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 39.45 2k0f h PHE 85 CO 0.00 0.06 -0.04 0.00 -2.23 0.00 0.00 178.31 176.10 2k0f h ARG 86 N 0.17 0.00 0.44 1.11 3.08 -1.42 -2.12 114.38 115.64 2k0f h ARG 86 Ca 0.09 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 2k0f h ARG 86 Cb 0.06 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 2k0f h ARG 86 CO -0.10 0.04 -0.40 0.28 -1.07 0.00 0.00 179.97 178.72 2k0f h VAL 87 N 0.00 0.19 -0.04 2.04 2.07 -1.19 -3.32 116.25 116.00 2k0f h VAL 87 Ca -0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 2k0f h VAL 87 Cb 0.68 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 2k0f h VAL 87 CO 0.01 0.00 -0.45 -0.26 0.02 0.00 0.00 177.57 176.89 2k0f h PHE 88 N -0.85 0.12 -2.73 1.57 0.04 -1.31 -3.41 116.94 110.37 2k0f h PHE 88 Ca -0.04 -0.03 -0.69 0.00 2.80 0.00 0.00 57.97 60.00 2k0f h PHE 88 Cb 0.74 -0.03 -0.18 0.00 2.20 0.00 0.00 35.95 38.68 2k0f h PHE 88 CO -0.20 0.54 0.53 0.34 -0.60 0.00 0.00 178.31 178.92 2k0f s ASP 89 N -6.89 6.45 0.28 2.17 2.15 -0.94 -4.58 116.67 115.31 2k0f s ASP 89 Ca -0.03 -1.77 0.08 0.00 0.43 0.00 0.00 52.55 51.25 2k0f s ASP 89 Cb 0.14 -2.36 0.40 0.00 -0.30 0.00 0.00 42.92 40.80 2k0f s ASP 89 CO 0.75 -1.10 1.65 0.50 -0.17 0.00 0.00 175.17 176.81 2k0f h LYS 90 N 8.94 0.15 0.09 4.34 3.64 -1.85 -3.34 116.57 128.54 2k0f h LYS 90 Ca -0.04 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2k0f h LYS 90 Cb 1.05 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 2k0f h LYS 90 CO 1.08 0.63 -0.05 0.38 -2.27 0.00 0.00 179.45 179.23 2k0f h ASP 91 N 0.12 -0.11 0.00 4.20 3.04 -1.96 -3.49 116.42 118.22 2k0f h ASP 91 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.80 2k0f h ASP 91 Cb 0.95 0.03 0.00 0.00 -1.04 0.00 0.00 39.33 39.27 2k0f h ASP 91 CO 0.07 0.30 0.00 0.61 -2.04 0.00 0.00 179.24 178.18 2k0f n GLY 92 N 1.44 0.27 0.10 7.15 0.00 -1.25 -5.06 105.19 107.84 2k0f n GLY 92 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.13 2k0f n GLY 92 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 93 N 0.00 0.79 0.00 1.61 0.23 -1.26 -4.95 115.26 111.67 2k0f n ASN 93 Ca 0.00 0.55 0.00 0.00 -0.53 0.00 0.00 54.58 54.60 2k0f n ASN 93 Cb 0.00 -0.73 0.00 0.00 -2.08 0.00 0.00 39.78 36.97 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 94 N 1.32 0.96 2.87 4.83 0.00 -1.26 -5.07 105.19 108.83 2k0f n GLY 94 Ca 0.05 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -2.00 1.74 -0.38 1.61 2.02 -1.26 -4.33 117.35 114.75 2k0f s TYR 95 Ca 0.00 -1.22 -0.22 0.00 -0.37 0.00 0.00 57.07 55.26 2k0f s TYR 95 Cb 0.00 -1.32 0.01 0.00 -0.40 0.00 0.00 41.96 40.25 2k0f s TYR 95 CO 0.00 -0.66 0.73 0.42 -1.57 0.00 0.00 175.55 174.47 2k0f s ILE 96 N 1.62 4.77 0.68 2.71 1.01 -0.72 -4.85 121.20 126.41 2k0f s ILE 96 Ca -0.02 0.68 -0.02 0.00 0.00 0.00 0.00 60.65 61.29 2k0f s ILE 96 Cb -0.17 -4.19 0.08 0.00 0.01 0.00 0.00 42.46 38.20 2k0f s ILE 96 CO -0.07 -0.46 0.95 -0.94 0.00 0.00 0.00 174.94 174.42 2k0f s SER 97 N 1.88 4.69 0.24 3.58 1.04 -1.26 -1.44 113.70 122.43 2k0f s SER 97 Ca 0.29 -0.01 -0.06 0.00 0.48 0.00 0.00 55.95 56.65 2k0f s SER 97 Cb -0.13 -0.58 0.25 0.00 0.10 0.00 0.00 66.02 65.66 2k0f s SER 97 CO 0.17 -1.62 1.85 0.00 0.98 0.00 0.00 173.24 174.63 2k0f h ALA 98 N -0.42 1.17 -0.09 5.32 0.00 -1.96 -2.99 119.26 120.29 2k0f h ALA 98 Ca -0.41 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.38 2k0f h ALA 98 Cb 1.29 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2k0f h ALA 98 CO 0.49 0.64 -0.05 0.00 0.00 0.00 0.00 179.25 180.33 2k0f h ALA 99 N 1.28 0.03 -0.27 0.00 0.00 -1.96 -0.70 119.26 117.64 2k0f h ALA 99 Ca 0.29 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.27 2k0f h ALA 99 Cb 0.08 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2k0f h ALA 99 CO -0.04 -0.52 0.06 0.93 0.00 0.00 0.00 179.25 179.69 2k0f h GLU 100 N -0.05 0.16 -0.35 0.00 5.08 -1.88 -2.61 114.58 114.92 2k0f h GLU 100 Ca 0.05 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 2k0f h GLU 100 Cb 0.13 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2k0f h GLU 100 CO -0.12 0.11 -0.12 1.25 -1.00 0.00 0.00 179.01 179.13 2k0f h LEU 101 N 0.17 0.72 -1.19 1.33 5.85 -1.53 -3.32 115.31 117.34 2k0f h LEU 101 Ca 0.12 -0.38 0.07 0.00 0.84 0.00 0.00 57.88 58.53 2k0f h LEU 101 Cb 0.12 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 2k0f h LEU 101 CO -0.15 0.93 0.57 -0.09 -0.34 0.00 0.00 178.44 179.36 2k0f h ARG 102 N 0.49 0.93 -0.80 1.25 2.43 -0.95 -1.17 114.38 116.55 2k0f h ARG 102 Ca 0.09 -0.06 0.19 0.00 -0.81 0.00 0.00 59.98 59.39 2k0f h ARG 102 Cb 0.64 -0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 29.93 2k0f h ARG 102 CO 0.04 0.62 0.55 1.25 -1.51 0.00 0.00 179.97 180.91 2k0f h HIS 103 N 0.96 0.37 0.01 2.20 2.76 -1.56 -1.62 115.15 118.26 2k0f h HIS 103 Ca 0.38 0.01 -0.28 0.00 -2.20 0.00 0.00 60.37 58.28 2k0f h HIS 103 Cb 0.25 -0.11 -0.04 0.00 1.55 0.00 0.00 27.41 29.06 2k0f h HIS 103 CO -0.00 0.12 -1.60 0.28 -1.30 0.00 0.00 177.93 175.42 2k0f h VAL 104 N 0.29 0.98 0.90 5.26 2.07 -1.34 -2.81 116.25 121.61 2k0f h VAL 104 Ca 0.40 -2.80 -0.04 0.00 0.82 0.00 0.00 66.70 65.08 2k0f h VAL 104 Cb 1.13 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 33.40 2k0f h VAL 104 CO -0.11 0.59 -0.48 0.24 0.02 0.00 0.00 177.57 177.82 2k0f h MET 105 N 0.01 -1.23 -1.06 1.57 2.07 -0.86 -0.97 114.93 114.46 2k0f h MET 105 Ca -0.25 0.08 0.39 0.00 -2.07 0.00 0.00 59.70 57.86 2k0f h MET 105 Cb 1.98 0.28 -0.16 0.00 -1.87 0.00 0.00 31.60 31.83 2k0f h MET 105 CO 0.09 -0.82 0.61 1.15 1.07 0.00 0.00 176.91 179.01 2k0f h THR 106 N -1.28 0.13 0.20 2.22 2.02 -1.28 -1.56 112.91 113.36 2k0f h THR 106 Ca -0.12 -0.05 -0.31 0.00 0.77 0.00 0.00 66.41 66.70 2k0f h THR 106 Cb 1.00 -0.01 0.02 0.00 -1.74 0.00 0.00 68.15 67.42 2k0f h THR 106 CO 0.17 0.02 -1.40 0.78 0.37 0.00 0.00 175.52 175.46 2k0f h ASN 107 N 0.13 0.65 0.97 4.18 2.35 -1.18 -3.27 115.58 119.42 2k0f h ASN 107 Ca 0.80 -0.71 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 2k0f h ASN 107 Cb 2.11 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 40.27 2k0f h ASN 107 CO -0.65 1.56 0.00 -0.07 -1.65 0.00 0.00 177.43 176.62 2k0f h LEU 108 N 0.11 0.00 0.00 1.61 3.38 -0.48 -3.46 115.31 116.47 2k0f h LEU 108 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2k0f h LEU 108 Cb 2.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.83 2k0f h LEU 108 CO 0.24 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.38 2k0f n GLY 109 N 0.31 1.70 3.55 0.83 0.00 -0.74 -5.05 105.19 105.79 2k0f n GLY 109 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2k0f n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k0f s GLU 110 N -0.29 3.50 -0.43 1.61 0.41 -0.66 -4.95 118.70 117.88 2k0f s GLU 110 Ca 0.00 -0.97 -0.28 0.00 -0.41 0.00 0.00 54.97 53.31 2k0f s GLU 110 Cb 0.00 -5.06 0.03 0.00 -1.78 0.00 0.00 34.13 27.31 2k0f s GLU 110 CO 0.00 -2.16 1.08 0.21 -0.49 0.00 0.00 175.26 173.90 2k0f s LYS 111 N 4.99 3.80 0.06 1.61 2.20 -1.26 -3.22 119.74 127.91 2k0f s LYS 111 Ca 0.42 0.65 0.04 0.00 -0.36 0.00 0.00 55.97 56.72 2k0f s LYS 111 Cb -0.02 -3.86 -0.04 0.00 -1.51 0.00 0.00 37.83 32.40 2k0f s LYS 111 CO -0.04 -1.21 0.00 -0.51 -0.36 0.00 0.00 175.35 173.23 2k0f s LEU 112 N 4.11 3.49 0.00 5.43 1.43 -1.26 -5.07 118.68 126.82 2k0f s LEU 112 Ca 0.45 -0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.47 2k0f s LEU 112 Cb -0.09 -2.15 0.03 0.00 0.03 0.00 0.00 46.19 44.02 2k0f s LEU 112 CO 0.26 0.21 0.27 0.35 0.23 0.00 0.00 176.35 177.67 2k0f n THR 113 N 0.86 0.00 0.08 5.49 -2.24 -1.26 -4.97 114.28 112.24 2k0f n THR 113 Ca -0.12 -0.57 -0.14 0.00 -2.27 0.00 0.00 64.05 60.95 2k0f n THR 113 Cb 0.52 -0.95 -0.07 0.00 -2.10 0.00 0.00 70.33 67.72 2k0f n THR 113 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2k0f h ASP 114 N -0.03 0.48 -0.31 3.42 5.19 -2.00 -2.87 116.42 120.30 2k0f h ASP 114 Ca -0.09 -0.43 0.04 0.00 -0.62 0.00 0.00 57.03 55.93 2k0f h ASP 114 Cb 0.38 -0.15 -0.06 0.00 0.18 0.00 0.00 39.33 39.68 2k0f h ASP 114 CO 0.12 1.26 -0.45 -0.33 -3.12 0.00 0.00 179.24 176.72 2k0f h GLU 115 N 0.17 -0.32 -0.94 3.56 3.07 -1.99 -2.66 114.58 115.47 2k0f h GLU 115 Ca -0.10 0.02 0.02 0.00 -0.50 0.00 0.00 59.36 58.80 2k0f h GLU 115 Cb 1.71 0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 29.64 2k0f h GLU 115 CO 0.18 -0.21 0.62 0.93 -1.40 0.00 0.00 179.01 179.12 2k0f h GLU 116 N -0.33 1.21 0.09 2.33 4.39 -1.93 -2.86 114.58 117.48 2k0f h GLU 116 Ca 0.06 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 2k0f h GLU 116 Cb 0.48 -0.27 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2k0f h GLU 116 CO -0.47 0.80 -0.04 0.28 -1.16 0.00 0.00 179.01 178.42 2k0f h VAL 117 N 1.25 1.04 -1.07 3.13 2.07 -1.56 -2.66 116.25 118.45 2k0f h VAL 117 Ca 0.35 -0.43 0.29 0.00 0.82 0.00 0.00 66.70 67.73 2k0f h VAL 117 Cb -0.11 1.32 -0.11 0.00 -1.52 0.00 0.00 31.29 30.88 2k0f h VAL 117 CO -0.09 0.11 0.68 -0.78 0.02 0.00 0.00 177.57 177.51 2k0f h ASP 118 N -0.31 0.46 1.51 0.57 3.58 -1.39 -1.39 116.42 119.46 2k0f h ASP 118 Ca -0.01 0.11 -0.05 0.00 0.42 0.00 0.00 57.03 57.50 2k0f h ASP 118 Cb 0.26 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 2k0f h ASP 118 CO 0.02 0.03 -0.22 -0.08 -2.88 0.00 0.00 179.24 176.11 2k0f h GLU 119 N 0.37 0.00 0.10 0.28 4.81 -1.25 -2.48 114.58 116.42 2k0f h GLU 119 Ca 0.64 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.60 2k0f h GLU 119 Cb 1.63 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.00 2k0f h GLU 119 CO -0.36 0.22 -1.26 0.52 -0.73 0.00 0.00 179.01 177.40 2k0f h MET 120 N 0.00 0.22 0.08 1.92 2.86 -1.12 -2.77 114.93 116.13 2k0f h MET 120 Ca -0.00 -0.38 -0.21 0.00 -2.06 0.00 0.00 59.70 57.05 2k0f h MET 120 Cb 1.04 0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.84 2k0f h MET 120 CO 0.03 1.16 -1.05 0.82 1.06 0.00 0.00 176.91 178.93 2k0f h ILE 121 N 0.06 1.23 -0.79 -1.22 1.08 -1.30 -2.83 117.51 113.74 2k0f h ILE 121 Ca -0.13 -2.39 0.10 0.00 -0.39 0.00 0.00 64.86 62.05 2k0f h ILE 121 Cb 1.95 2.85 -0.11 0.00 -3.07 0.00 0.00 36.82 38.44 2k0f h ILE 121 CO 0.18 0.63 -0.39 -1.14 -0.69 0.00 0.00 178.15 176.75 2k0f n ARG 122 N -4.15 -0.27 0.06 2.37 0.63 -0.94 -0.59 116.66 113.77 2k0f n ARG 122 Ca -0.21 1.20 -0.11 0.00 -0.92 0.00 0.00 57.85 57.80 2k0f n ARG 122 Cb 0.79 -1.77 -0.05 0.00 0.45 0.00 0.00 32.46 31.88 2k0f n ARG 122 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 2k0f h GLU 123 N 0.00 -0.39 0.31 -0.14 4.81 -1.52 -3.33 114.58 114.32 2k0f h GLU 123 Ca 0.20 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 2k0f h GLU 123 Cb 0.39 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2k0f h GLU 123 CO -0.76 -0.26 -0.15 0.00 -0.73 0.00 0.00 179.01 177.11 2k0f h ALA 124 N 0.41 -0.42 -2.45 2.92 0.00 -1.18 -3.44 119.26 115.10 2k0f h ALA 124 Ca 0.06 -0.14 -0.54 0.00 0.00 0.00 0.00 54.91 54.29 2k0f h ALA 124 Cb 0.49 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.45 2k0f h ALA 124 CO -0.23 -0.65 0.78 0.34 0.00 0.00 0.00 179.25 179.48 2k0f s ASP 125 N -4.95 6.85 -0.19 0.00 2.15 0.24 -4.75 116.67 116.02 2k0f s ASP 125 Ca -0.15 2.20 -0.17 0.00 0.43 0.00 0.00 52.55 54.86 2k0f s ASP 125 Cb 0.04 -2.57 -0.13 0.00 -0.30 0.00 0.00 42.92 39.95 2k0f s ASP 125 CO 0.61 -0.68 0.04 -0.38 -0.17 0.00 0.00 175.17 174.59 2k0f n ILE 126 N 4.33 1.49 0.04 4.11 5.41 -1.26 -4.80 119.36 128.68 2k0f n ILE 126 Ca 0.12 0.05 -0.03 0.00 1.00 0.00 0.00 62.75 63.89 2k0f n ILE 126 Cb 0.43 -2.17 -0.01 0.00 -0.71 0.00 0.00 39.64 37.18 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 2k0f h ASP 127 N -1.00 -0.15 0.00 4.38 3.04 -1.93 -3.49 116.42 117.27 2k0f h ASP 127 Ca -0.23 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.56 2k0f h ASP 127 Cb 1.03 0.04 0.00 0.00 -1.04 0.00 0.00 39.33 39.36 2k0f h ASP 127 CO -0.14 0.21 0.00 0.61 -2.04 0.00 0.00 179.24 177.88 2k0f n GLY 128 N 1.26 0.00 0.00 7.15 0.00 -1.26 -5.03 105.19 107.31 2k0f n GLY 128 Ca -0.02 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.14 2k0f n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 129 N 0.00 0.00 -2.58 1.61 5.68 -1.26 -4.90 116.55 115.10 2k0f n ASP 129 Ca 0.00 0.45 -0.21 0.00 -0.50 0.00 0.00 54.79 54.53 2k0f n ASP 129 Cb 0.00 -0.48 0.01 0.00 -1.14 0.00 0.00 41.12 39.51 2k0f n ASP 129 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 130 N 1.42 -0.46 3.07 6.12 0.00 -1.26 -5.02 105.19 109.07 2k0f n GLY 130 Ca 0.07 0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 2k0f n GLY 130 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 131 N -5.33 1.37 -0.23 1.61 -0.21 -1.26 -4.35 119.66 111.26 2k0f s GLN 131 Ca 0.15 -0.45 -0.15 0.00 0.02 0.00 0.00 55.36 54.93 2k0f s GLN 131 Cb -0.07 -1.22 -0.04 0.00 1.00 0.00 0.00 33.01 32.68 2k0f s GLN 131 CO 0.19 0.17 0.35 0.54 -2.12 0.00 0.00 175.29 174.42 2k0f s VAL 132 N 0.13 5.22 0.66 1.09 0.11 -0.52 -4.84 120.40 122.25 2k0f s VAL 132 Ca -0.04 0.58 0.02 0.00 -2.93 0.00 0.00 61.98 59.62 2k0f s VAL 132 Cb -0.10 -3.68 0.10 0.00 -1.53 0.00 0.00 36.38 31.17 2k0f s VAL 132 CO 0.01 0.24 0.91 0.54 -3.33 0.00 0.00 175.10 173.48 2k0f s ASN 133 N 1.19 4.65 0.08 3.54 2.20 -1.26 -1.76 114.94 123.59 2k0f s ASN 133 Ca 0.16 -0.41 -0.28 0.00 -0.94 0.00 0.00 52.86 51.39 2k0f s ASN 133 Cb -0.15 -0.09 -0.17 0.00 -2.00 0.00 0.00 41.25 38.84 2k0f s ASN 133 CO 0.08 -1.64 1.68 0.22 -2.94 0.00 0.00 177.10 174.50 2k0f h TYR 134 N -0.28 -0.43 -0.50 1.54 3.20 -1.98 -0.28 116.97 118.24 2k0f h TYR 134 Ca -0.36 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.58 2k0f h TYR 134 Cb 1.28 0.14 -0.06 0.00 1.54 0.00 0.00 36.73 39.63 2k0f h TYR 134 CO 0.02 -0.27 0.14 1.49 -1.64 0.00 0.00 178.16 177.90 2k0f h GLU 135 N -0.47 0.29 -0.52 1.82 4.81 -1.97 -0.71 114.58 117.83 2k0f h GLU 135 Ca -0.05 -0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.26 2k0f h GLU 135 Cb 0.36 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.60 2k0f h GLU 135 CO 0.08 0.19 0.08 0.93 -0.73 0.00 0.00 179.01 179.56 2k0f h GLU 136 N 0.30 0.21 0.00 1.92 5.08 -1.91 -3.19 114.58 116.99 2k0f h GLU 136 Ca 0.25 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.48 2k0f h GLU 136 Cb 0.30 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2k0f h GLU 136 CO -0.28 0.14 -0.53 0.35 -1.00 0.00 0.00 179.01 177.68 2k0f h PHE 137 N 0.21 0.00 0.49 4.33 3.57 -0.13 -1.78 116.94 123.63 2k0f h PHE 137 Ca 0.26 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 2k0f h PHE 137 Cb 0.37 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.11 2k0f h PHE 137 CO -0.25 0.53 -0.23 0.28 -2.23 0.00 0.00 178.31 176.41 2k0f h VAL 138 N 0.00 0.52 -0.04 1.41 2.07 -1.17 -2.02 116.25 117.01 2k0f h VAL 138 Ca -0.01 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.33 2k0f h VAL 138 Cb 1.11 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2k0f h VAL 138 CO 0.07 0.02 -0.35 -0.61 0.02 0.00 0.00 177.57 176.72 2k0f h GLN 139 N -0.71 0.07 -0.38 1.57 4.15 -1.52 -1.14 115.11 117.14 2k0f h GLN 139 Ca -0.07 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.29 2k0f h GLN 139 Cb 0.53 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.20 2k0f h GLN 139 CO 0.11 0.42 0.09 1.98 -1.93 0.00 0.00 178.83 179.50 2k0f h MET 140 N 0.06 0.61 -0.02 1.69 4.05 -1.32 -3.32 114.93 116.68 2k0f h MET 140 Ca 0.01 -0.15 -0.19 0.00 -0.28 0.00 0.00 59.70 59.09 2k0f h MET 140 Cb 0.66 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.37 2k0f h MET 140 CO 0.05 0.64 -0.81 1.98 0.23 0.00 0.00 176.91 179.00 2k0f h MET 141 N 0.47 0.24 0.00 0.39 1.85 -0.57 -3.51 114.93 113.80 2k0f h MET 141 Ca 0.12 -0.23 0.00 0.00 -0.61 0.00 0.00 59.70 58.98 2k0f h MET 141 Cb 0.31 0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.40 2k0f h MET 141 CO 0.00 0.93 0.00 0.25 -0.40 0.00 0.00 176.91 177.69