#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 0.38 -0.42 1.09 4.39 -2.05 -0.33 114.58 117.63 2k0f h GLU 2 Ca 0.00 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 2k0f h GLU 2 Cb 0.00 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 2k0f h GLU 2 CO 0.00 0.25 0.19 0.93 -1.16 0.00 0.00 179.01 179.22 2k0f h GLU 3 N 0.39 0.62 -0.02 2.33 5.08 -2.05 -2.07 114.58 118.85 2k0f h GLU 3 Ca 0.48 -0.10 -0.17 0.00 -1.00 0.00 0.00 59.36 58.57 2k0f h GLU 3 Cb 1.23 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 2k0f h GLU 3 CO -0.18 0.55 -0.76 0.37 -1.00 0.00 0.00 179.01 177.99 2k0f h GLN 4 N 0.54 0.17 -0.56 2.33 4.15 -1.58 -0.60 115.11 119.55 2k0f h GLN 4 Ca 0.14 -0.15 0.06 0.00 0.77 0.00 0.00 58.65 59.47 2k0f h GLN 4 Cb 0.14 0.04 -0.05 0.00 0.21 0.00 0.00 27.48 27.82 2k0f h GLN 4 CO -0.02 0.85 0.28 0.82 -1.93 0.00 0.00 178.83 178.83 2k0f h ILE 5 N 0.11 0.92 -0.64 2.39 1.08 -1.07 -1.95 117.51 118.35 2k0f h ILE 5 Ca -0.02 -0.18 -0.08 0.00 -0.39 0.00 0.00 64.86 64.19 2k0f h ILE 5 Cb 1.34 0.35 -0.02 0.00 -3.07 0.00 0.00 36.82 35.41 2k0f h ILE 5 CO 0.11 0.10 0.08 0.00 -0.69 0.00 0.00 178.15 177.75 2k0f h ALA 6 N 1.32 0.85 -0.44 1.87 0.00 -0.98 -2.46 119.26 119.43 2k0f h ALA 6 Ca 0.26 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k0f h ALA 6 Cb 0.20 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2k0f h ALA 6 CO -0.19 0.63 0.27 1.49 0.00 0.00 0.00 179.25 181.45 2k0f h GLU 7 N 0.99 0.59 -0.19 0.00 4.81 -0.98 0.79 114.58 120.59 2k0f h GLU 7 Ca 0.19 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 2k0f h GLU 7 Cb 0.46 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 2k0f h GLU 7 CO 0.02 0.41 -0.01 0.74 -0.73 0.00 0.00 179.01 179.44 2k0f h PHE 8 N 0.60 0.37 -0.11 0.92 0.04 -1.25 -2.44 116.94 115.08 2k0f h PHE 8 Ca 0.16 -0.07 -0.13 0.00 2.80 0.00 0.00 57.97 60.73 2k0f h PHE 8 Cb -0.03 -0.10 0.01 0.00 2.20 0.00 0.00 35.95 38.03 2k0f h PHE 8 CO 0.00 0.55 -0.44 0.87 -0.60 0.00 0.00 178.31 178.70 2k0f h LYS 9 N 0.09 0.48 -0.25 1.51 1.57 -1.22 0.34 116.57 119.09 2k0f h LYS 9 Ca 0.05 -0.38 0.06 0.00 -1.87 0.00 0.00 60.65 58.51 2k0f h LYS 9 Cb 0.41 0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.72 2k0f h LYS 9 CO 0.01 1.01 -0.39 1.49 -0.57 0.00 0.00 179.45 180.99 2k0f h GLU 10 N 0.07 -0.38 -0.02 3.15 4.57 -0.92 0.94 114.58 121.98 2k0f h GLU 10 Ca -0.02 0.03 0.02 0.00 -1.18 0.00 0.00 59.36 58.20 2k0f h GLU 10 Cb 1.07 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.73 2k0f h GLU 10 CO 0.09 -0.25 -0.09 0.00 -1.18 0.00 0.00 179.01 177.58 2k0f h ALA 11 N 0.34 -0.08 -0.98 2.92 0.00 -1.37 -2.04 119.26 118.06 2k0f h ALA 11 Ca 0.11 0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.14 2k0f h ALA 11 Cb 0.59 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.47 2k0f h ALA 11 CO -0.46 -0.57 0.62 0.35 0.00 0.00 0.00 179.25 179.18 2k0f h PHE 12 N -0.14 1.10 0.00 0.00 3.04 -0.38 -2.76 116.94 117.79 2k0f h PHE 12 Ca 0.04 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.02 2k0f h PHE 12 Cb 0.20 -0.35 0.00 0.00 2.56 0.00 0.00 35.95 38.36 2k0f h PHE 12 CO -0.17 0.47 0.00 0.77 -2.02 0.00 0.00 178.31 177.36 2k0f h SER 13 N 0.98 0.00 0.80 0.41 0.02 -0.13 0.18 113.55 115.82 2k0f h SER 13 Ca 0.47 0.00 -0.24 0.00 -0.84 0.00 0.00 61.79 61.17 2k0f h SER 13 Cb 0.44 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 2k0f h SER 13 CO -0.23 0.00 -1.14 -0.07 -1.14 0.00 0.00 176.83 174.25 2k0f h LEU 14 N 0.00 0.21 0.00 5.07 3.38 -1.16 -3.37 115.31 119.44 2k0f h LEU 14 Ca 0.00 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 2k0f h LEU 14 Cb 0.43 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 2k0f h LEU 14 CO 0.00 1.18 -0.21 -0.26 0.09 0.00 0.00 178.44 179.24 2k0f h PHE 15 N 0.04 0.00 -2.57 1.13 0.04 -1.26 -3.44 116.94 110.86 2k0f h PHE 15 Ca -0.08 0.00 -0.54 0.00 2.80 0.00 0.00 57.97 60.15 2k0f h PHE 15 Cb 1.88 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.97 2k0f h PHE 15 CO 0.03 0.68 1.15 0.34 -0.60 0.00 0.00 178.31 179.91 2k0f s ASP 16 N -6.06 5.96 0.22 2.17 2.15 0.54 -4.49 116.67 117.16 2k0f s ASP 16 Ca -0.14 0.21 0.03 0.00 0.43 0.00 0.00 52.55 53.08 2k0f s ASP 16 Cb -0.00 -2.54 0.20 0.00 -0.30 0.00 0.00 42.92 40.28 2k0f s ASP 16 CO 0.43 -1.86 1.53 0.11 -0.17 0.00 0.00 175.17 175.21 2k0f h LYS 17 N 11.71 0.28 0.06 4.34 1.79 -1.86 -3.27 116.57 129.63 2k0f h LYS 17 Ca -0.27 -0.20 -0.35 0.00 -2.18 0.00 0.00 60.65 57.65 2k0f h LYS 17 Cb 1.10 0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 31.75 2k0f h LYS 17 CO 1.20 0.82 -1.99 -0.40 -1.08 0.00 0.00 179.45 178.00 2k0f n ASP 18 N -3.86 2.03 -0.33 0.86 5.68 -1.26 -5.05 116.55 114.61 2k0f n ASP 18 Ca -0.03 0.20 0.00 0.00 -0.50 0.00 0.00 54.79 54.46 2k0f n ASP 18 Cb 0.64 -0.80 0.00 0.00 -1.14 0.00 0.00 41.12 39.82 2k0f n ASP 18 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 19 N 1.85 0.59 0.10 6.12 0.00 -1.23 -5.05 105.19 107.57 2k0f n GLY 19 Ca -0.37 -0.27 -0.19 0.00 0.00 0.00 0.00 46.02 45.19 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 0.16 0.00 1.61 2.03 -1.97 -3.49 116.42 114.76 2k0f h ASP 20 Ca 0.00 -0.81 0.00 0.00 -0.73 0.00 0.00 57.03 55.49 2k0f h ASP 20 Cb 0.29 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 38.74 2k0f h ASP 20 CO 0.00 1.36 0.00 0.61 -1.03 0.00 0.00 179.24 180.18 2k0f n GLY 21 N 1.60 0.11 3.34 7.15 0.00 -1.26 -5.14 105.19 111.00 2k0f n GLY 21 Ca -0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.99 1.97 -0.21 2.61 -4.23 -1.26 -3.52 115.64 110.01 2k0f s THR 22 Ca 0.00 -1.72 -0.05 0.00 -1.18 0.00 0.00 61.69 58.74 2k0f s THR 22 Cb 0.00 -1.80 -0.02 0.00 1.34 0.00 0.00 72.50 72.02 2k0f s THR 22 CO 0.00 -0.05 0.00 -0.63 -0.54 0.00 0.00 174.62 173.40 2k0f s ILE 23 N -1.30 3.90 0.67 2.99 1.01 -0.33 -4.76 121.20 123.39 2k0f s ILE 23 Ca 0.12 -0.32 -0.09 0.00 0.00 0.00 0.00 60.65 60.36 2k0f s ILE 23 Cb -0.09 -2.78 0.02 0.00 0.01 0.00 0.00 42.46 39.63 2k0f s ILE 23 CO 0.06 0.41 1.01 0.42 0.00 0.00 0.00 174.94 176.84 2k0f s THR 24 N 1.18 3.26 0.32 2.92 -4.23 -1.26 -3.29 115.64 114.53 2k0f s THR 24 Ca 0.03 0.14 0.06 0.00 -1.18 0.00 0.00 61.69 60.74 2k0f s THR 24 Cb -0.14 -3.36 0.31 0.00 1.34 0.00 0.00 72.50 70.64 2k0f s THR 24 CO 0.01 -0.42 1.82 0.71 -0.54 0.00 0.00 174.62 176.20 2k0f h THR 25 N -0.49 0.79 -0.45 3.99 1.35 -1.90 -2.20 112.91 114.00 2k0f h THR 25 Ca -0.45 -0.27 -0.03 0.00 -0.55 0.00 0.00 66.41 65.10 2k0f h THR 25 Cb 1.27 -0.07 -0.02 0.00 -1.73 0.00 0.00 68.15 67.60 2k0f h THR 25 CO 0.62 0.14 0.15 0.11 -0.25 0.00 0.00 175.52 176.30 2k0f h LYS 26 N 0.79 0.70 -0.58 4.72 1.79 -1.99 -0.24 116.57 121.77 2k0f h LYS 26 Ca 0.53 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.85 2k0f h LYS 26 Cb 0.78 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.30 2k0f h LYS 26 CO -0.30 0.66 0.37 0.93 -1.08 0.00 0.00 179.45 180.03 2k0f h GLU 27 N 0.59 0.77 0.62 3.15 5.08 -1.86 -2.04 114.58 120.89 2k0f h GLU 27 Ca 0.15 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 2k0f h GLU 27 Cb 0.25 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.34 2k0f h GLU 27 CO -0.01 0.52 -0.30 1.25 -1.00 0.00 0.00 179.01 179.48 2k0f h LEU 28 N 0.78 -0.70 -1.49 1.33 5.85 -1.39 -3.09 115.31 116.60 2k0f h LEU 28 Ca 0.21 0.02 0.10 0.00 0.84 0.00 0.00 57.88 59.06 2k0f h LEU 28 Cb -0.07 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 2k0f h LEU 28 CO -0.04 -0.46 0.47 1.23 -0.34 0.00 0.00 178.44 179.29 2k0f h GLY 29 N -0.91 0.82 -0.33 3.75 0.00 -1.06 -1.05 103.07 104.29 2k0f h GLY 29 Ca -0.08 -0.23 0.13 0.00 0.00 0.00 0.00 47.33 47.15 2k0f h GLY 29 CO 0.14 0.13 -0.16 -0.84 0.00 0.00 0.00 176.54 175.81 2k0f h THR 30 N 0.56 0.34 -0.40 4.70 2.02 -1.45 -0.35 112.91 118.32 2k0f h THR 30 Ca 0.33 -0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.48 2k0f h THR 30 Cb 0.53 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 2k0f h THR 30 CO -0.11 0.00 0.14 0.58 0.37 0.00 0.00 175.52 176.50 2k0f h VAL 31 N 0.00 1.21 -0.35 3.16 2.07 -1.11 -2.14 116.25 119.09 2k0f h VAL 31 Ca 0.32 -0.67 -0.12 0.00 0.82 0.00 0.00 66.70 67.05 2k0f h VAL 31 Cb 0.49 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2k0f h VAL 31 CO -0.68 0.24 -0.25 0.24 0.02 0.00 0.00 177.57 177.14 2k0f h MET 32 N 0.50 0.78 -0.08 1.57 2.86 -1.37 -2.11 114.93 117.09 2k0f h MET 32 Ca 0.13 -0.38 0.02 0.00 -2.06 0.00 0.00 59.70 57.41 2k0f h MET 32 Cb 0.23 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 2k0f h MET 32 CO -0.01 1.00 0.06 0.00 1.06 0.00 0.00 176.91 179.02 2k0f h ARG 33 N 0.57 0.02 0.44 1.72 3.08 -0.83 0.22 114.38 119.60 2k0f h ARG 33 Ca 0.07 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 2k0f h ARG 33 Cb 0.81 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.86 2k0f h ARG 33 CO 0.07 0.01 -0.21 0.77 -1.07 0.00 0.00 179.97 179.54 2k0f h SER 34 N 0.02 -0.50 0.03 7.04 0.02 -1.24 -3.35 113.55 115.57 2k0f h SER 34 Ca 0.04 -0.10 0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2k0f h SER 34 Cb 0.13 0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.75 2k0f h SER 34 CO -0.00 -0.16 -0.36 0.25 -1.14 0.00 0.00 176.83 175.42 2k0f h LEU 35 N -0.87 -1.06 0.00 5.07 5.85 -1.20 -3.47 115.31 119.64 2k0f h LEU 35 Ca -0.06 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.79 2k0f h LEU 35 Cb 0.56 0.42 0.00 0.00 0.37 0.00 0.00 40.66 42.01 2k0f h LEU 35 CO 0.10 -0.42 0.00 0.61 -0.34 0.00 0.00 178.44 178.39 2k0f n GLY 36 N -1.43 -0.23 3.64 3.75 0.00 0.65 -5.01 105.19 106.56 2k0f n GLY 36 Ca -0.06 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 2k0f n GLY 36 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k0f s GLN 37 N 0.00 0.61 -0.66 1.61 -2.07 -0.49 -4.94 119.66 113.72 2k0f s GLN 37 Ca 0.00 0.81 0.02 0.00 -1.82 0.00 0.00 55.36 54.37 2k0f s GLN 37 Cb 0.00 0.26 0.16 0.00 -1.09 0.00 0.00 33.01 32.34 2k0f s GLN 37 CO 0.00 -0.09 0.45 -0.80 -1.32 0.00 0.00 175.29 173.53 2k0f s ASN 38 N 0.61 4.93 0.92 12.60 -0.87 -1.26 -2.66 114.94 129.20 2k0f s ASN 38 Ca -0.01 -3.35 -0.15 0.00 -1.57 0.00 0.00 52.86 47.79 2k0f s ASN 38 Cb -0.05 -1.73 0.16 0.00 -0.02 0.00 0.00 41.25 39.61 2k0f s ASN 38 CO -0.07 -0.21 1.25 -2.16 -2.57 0.00 0.00 177.10 173.34 2k0f s PRO 39 N -0.76 1.03 0.54 -0.60 0.04 -1.26 -5.09 135.00 128.91 2k0f s PRO 39 Ca 0.21 -0.16 -0.03 0.00 0.04 0.00 0.00 61.00 61.06 2k0f s PRO 39 Cb -0.16 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.53 2k0f s PRO 39 CO -0.08 -2.19 0.81 0.95 0.04 0.00 0.00 177.00 176.54 2k0f s THR 40 N -3.69 3.56 0.17 1.26 -4.23 -1.26 -5.01 115.64 106.44 2k0f s THR 40 Ca 0.69 -0.27 -0.02 0.00 -1.18 0.00 0.00 61.69 60.91 2k0f s THR 40 Cb -0.07 -3.38 -0.12 0.00 1.34 0.00 0.00 72.50 70.27 2k0f s THR 40 CO 0.52 -0.33 1.42 -0.33 -0.54 0.00 0.00 174.62 175.35 2k0f h GLU 41 N 0.03 0.39 -0.48 3.99 4.39 -1.98 -2.57 114.58 118.35 2k0f h GLU 41 Ca -0.45 -0.34 0.08 0.00 0.34 0.00 0.00 59.36 58.99 2k0f h GLU 41 Cb 1.26 0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 29.89 2k0f h GLU 41 CO 0.58 0.98 -0.40 0.00 -1.16 0.00 0.00 179.01 179.02 2k0f h ALA 42 N 0.92 -0.31 -0.49 3.43 0.00 -1.98 -0.67 119.26 120.17 2k0f h ALA 42 Ca -0.04 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 2k0f h ALA 42 Cb 1.34 0.87 -0.01 0.00 0.00 0.00 0.00 17.79 19.99 2k0f h ALA 42 CO 0.13 -0.81 -0.16 1.49 0.00 0.00 0.00 179.25 179.91 2k0f h GLU 43 N -0.26 0.97 -0.33 0.00 4.57 -1.89 0.21 114.58 117.84 2k0f h GLU 43 Ca 0.17 -0.39 -0.05 0.00 -1.18 0.00 0.00 59.36 57.91 2k0f h GLU 43 Cb 0.57 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.09 2k0f h GLU 43 CO -0.62 1.06 -0.01 -0.07 -1.18 0.00 0.00 179.01 178.19 2k0f h LEU 44 N 0.82 0.47 -0.01 1.64 3.38 -1.34 -0.09 115.31 120.18 2k0f h LEU 44 Ca 0.12 -0.09 -0.23 0.00 0.09 0.00 0.00 57.88 57.77 2k0f h LEU 44 Cb 0.73 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2k0f h LEU 44 CO 0.06 0.55 -1.06 -0.61 0.09 0.00 0.00 178.44 177.46 2k0f h GLN 45 N 0.48 0.13 0.25 1.13 4.15 -0.54 -3.15 115.11 117.55 2k0f h GLN 45 Ca 0.10 -0.20 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 2k0f h GLN 45 Cb 0.33 0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.10 2k0f h GLN 45 CO 0.01 1.07 -0.12 -0.44 -1.93 0.00 0.00 178.83 177.42 2k0f h ASP 46 N 0.04 -0.28 0.14 -0.69 3.32 -0.26 0.16 116.42 118.85 2k0f h ASP 46 Ca -0.06 -0.21 -0.04 0.00 0.02 0.00 0.00 57.03 56.74 2k0f h ASP 46 Cb 1.79 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 41.41 2k0f h ASP 46 CO 0.16 0.08 -0.17 0.00 -1.72 0.00 0.00 179.24 177.59 2k0f h MET 47 N -0.69 0.06 0.31 3.56 -0.00 -1.18 0.21 114.93 117.21 2k0f h MET 47 Ca -0.03 -0.01 -0.02 0.00 -0.00 0.00 0.00 59.70 59.64 2k0f h MET 47 Cb 0.48 -0.01 0.00 0.00 -0.00 0.00 0.00 31.60 32.07 2k0f h MET 47 CO 0.06 0.23 -0.15 0.82 -0.00 0.00 0.00 176.91 177.86 2k0f h ILE 48 N 0.06 0.57 -0.04 -0.10 1.08 -1.50 -3.31 117.51 114.27 2k0f h ILE 48 Ca 0.01 -0.74 0.01 0.00 -0.39 0.00 0.00 64.86 63.75 2k0f h ILE 48 Cb 0.33 0.88 -0.00 0.00 -3.07 0.00 0.00 36.82 34.96 2k0f h ILE 48 CO 0.02 0.12 0.08 0.78 -0.69 0.00 0.00 178.15 178.46 2k0f h ASN 49 N -0.90 0.00 0.94 1.72 2.35 0.04 0.15 115.58 119.88 2k0f h ASN 49 Ca -0.04 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.66 2k0f h ASN 49 Cb 0.52 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.90 2k0f h ASN 49 CO 0.07 0.00 -0.45 -0.08 -1.65 0.00 0.00 177.43 175.32 2k0f h GLU 50 N 0.00 -1.22 0.00 0.81 4.57 -0.74 -3.35 114.58 114.65 2k0f h GLU 50 Ca 0.02 0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 2k0f h GLU 50 Cb 0.18 0.28 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 2k0f h GLU 50 CO -0.00 -0.81 -0.73 -0.39 -1.18 0.00 0.00 179.01 175.90 2k0f h VAL 51 N -1.29 0.00 -1.80 0.32 -1.51 -1.54 -3.46 116.25 106.98 2k0f h VAL 51 Ca -0.13 -0.91 -0.53 0.00 -1.23 0.00 0.00 66.70 63.90 2k0f h VAL 51 Cb 0.97 1.53 0.00 0.00 -2.13 0.00 0.00 31.29 31.66 2k0f h VAL 51 CO 0.21 0.00 1.57 -0.67 -1.23 0.00 0.00 177.57 177.45 2k0f n ASP 52 N -2.67 2.80 -0.07 4.19 2.03 0.49 -4.89 116.55 118.44 2k0f n ASP 52 Ca 0.01 -0.15 -0.11 0.00 0.52 0.00 0.00 54.79 55.06 2k0f n ASP 52 Cb 0.53 -1.57 -0.10 0.00 -0.72 0.00 0.00 41.12 39.26 2k0f n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0f h ALA 53 N 17.32 0.02 -0.36 -1.67 0.00 -1.89 -3.36 119.26 129.32 2k0f h ALA 53 Ca -0.33 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.08 2k0f h ALA 53 Cb 1.25 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 2k0f h ALA 53 CO 1.06 0.06 -0.08 0.38 0.00 0.00 0.00 179.25 180.66 2k0f h ASP 54 N -1.00 0.58 0.00 0.00 3.04 -1.93 -3.48 116.42 113.63 2k0f h ASP 54 Ca -0.02 -0.15 0.00 0.00 -3.24 0.00 0.00 57.03 53.62 2k0f h ASP 54 Cb 0.78 -0.15 0.00 0.00 -1.04 0.00 0.00 39.33 38.92 2k0f h ASP 54 CO -0.01 0.70 0.00 0.61 -2.04 0.00 0.00 179.24 178.50 2k0f n GLY 55 N -0.64 0.91 0.10 7.15 0.00 -1.26 -4.99 105.19 106.46 2k0f n GLY 55 Ca 0.01 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.11 2k0f n GLY 55 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 56 N 0.06 0.57 0.00 1.61 0.23 -1.26 -4.89 115.26 111.58 2k0f n ASN 56 Ca 0.00 0.61 0.00 0.00 -0.53 0.00 0.00 54.58 54.66 2k0f n ASN 56 Cb 0.00 -0.74 0.00 0.00 -2.08 0.00 0.00 39.78 36.96 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 57 N 0.38 0.81 3.44 4.83 0.00 -1.26 -5.04 105.19 108.35 2k0f n GLY 57 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.08 2.28 0.05 2.61 -4.23 -1.26 -4.77 115.64 108.24 2k0f s THR 58 Ca 0.00 -2.33 -0.26 0.00 -1.18 0.00 0.00 61.69 57.91 2k0f s THR 58 Cb 0.00 -2.22 -0.05 0.00 1.34 0.00 0.00 72.50 71.57 2k0f s THR 58 CO 0.00 -0.43 0.83 -0.51 -0.54 0.00 0.00 174.62 173.97 2k0f s ILE 59 N -2.56 4.70 0.55 2.99 2.07 -1.21 -4.84 121.20 122.90 2k0f s ILE 59 Ca 0.27 1.76 0.05 0.00 -1.41 0.00 0.00 60.65 61.33 2k0f s ILE 59 Cb -0.04 -4.18 0.05 0.00 0.13 0.00 0.00 42.46 38.43 2k0f s ILE 59 CO 0.13 0.33 0.44 0.47 -1.91 0.00 0.00 174.94 174.40 2k0f n ASP 60 N 2.92 2.70 -0.07 4.50 9.92 -1.26 -1.18 116.55 134.07 2k0f n ASP 60 Ca -0.01 -2.86 -0.12 0.00 -0.53 0.00 0.00 54.79 51.27 2k0f n ASP 60 Cb 0.50 -0.07 -0.06 0.00 -0.64 0.00 0.00 41.12 40.85 2k0f n ASP 60 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 2k0f h PHE 61 N 0.62 0.48 0.00 1.24 3.57 -1.97 -2.43 116.94 118.46 2k0f h PHE 61 Ca -0.34 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.04 2k0f h PHE 61 Cb 1.27 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.90 2k0f h PHE 61 CO 0.00 0.72 0.00 -0.35 -2.23 0.00 0.00 178.31 176.45 2k0f n PRO 62 N -4.56 0.74 0.09 6.41 -0.04 -1.26 -2.45 135.00 133.93 2k0f n PRO 62 Ca -0.05 0.01 -0.05 0.00 -0.04 0.00 0.00 63.50 63.37 2k0f n PRO 62 Cb 0.33 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.26 2k0f n PRO 62 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k0f h GLU 63 N 0.00 -0.31 -0.66 0.54 5.08 -1.90 -3.29 114.58 114.04 2k0f h GLU 63 Ca 0.00 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.51 2k0f h GLU 63 Cb 0.04 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 2k0f h GLU 63 CO 0.00 -0.18 0.45 0.35 -1.00 0.00 0.00 179.01 178.63 2k0f h PHE 64 N -1.08 0.41 -0.79 4.33 3.57 -1.32 0.27 116.94 122.33 2k0f h PHE 64 Ca -0.03 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 2k0f h PHE 64 Cb 0.27 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.85 2k0f h PHE 64 CO 0.01 0.17 0.45 -0.07 -2.23 0.00 0.00 178.31 176.64 2k0f h LEU 65 N 0.36 0.97 -0.06 0.59 3.38 -1.66 -2.90 115.31 116.00 2k0f h LEU 65 Ca 0.32 -0.08 -0.22 0.00 0.09 0.00 0.00 57.88 57.99 2k0f h LEU 65 Cb 0.74 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.26 2k0f h LEU 65 CO -0.09 0.78 -0.82 0.74 0.09 0.00 0.00 178.44 179.14 2k0f h THR 66 N 1.09 1.32 -0.12 0.22 2.02 -1.51 -3.01 112.91 112.93 2k0f h THR 66 Ca 0.28 -2.08 -0.02 0.00 0.77 0.00 0.00 66.41 65.36 2k0f h THR 66 Cb 0.00 2.28 -0.00 0.00 -1.74 0.00 0.00 68.15 68.69 2k0f h THR 66 CO -0.05 0.64 0.00 -0.03 0.37 0.00 0.00 175.52 176.45 2k0f h MET 67 N 0.31 0.21 -0.36 6.66 1.85 -0.92 -3.04 114.93 119.64 2k0f h MET 67 Ca -0.09 -0.07 -0.08 0.00 -0.61 0.00 0.00 59.70 58.86 2k0f h MET 67 Cb 1.47 -0.02 -0.02 0.00 0.43 0.00 0.00 31.60 33.47 2k0f h MET 67 CO 0.16 0.45 -0.12 0.52 -0.40 0.00 0.00 176.91 177.52 2k0f h MET 68 N -0.06 0.63 0.00 0.39 2.86 -1.68 -2.97 114.93 114.10 2k0f h MET 68 Ca 0.03 -0.20 0.00 0.00 -2.06 0.00 0.00 59.70 57.48 2k0f h MET 68 Cb 0.35 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.95 2k0f h MET 68 CO 0.01 0.74 0.00 0.00 1.06 0.00 0.00 176.91 178.71 2k0f n ALA 69 N -2.48 2.02 -2.25 6.32 0.00 -1.14 -4.82 120.51 118.16 2k0f n ALA 69 Ca 0.01 -0.09 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 2k0f n ALA 69 Cb 0.35 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 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 -2.51 4.24 0.20 0.00 3.52 -1.13 -5.02 118.95 118.25 2k0f s ARG 70 Ca 0.19 1.90 -0.30 0.00 -0.13 0.00 0.00 55.73 57.39 2k0f s ARG 70 Cb 0.13 -3.76 -0.08 0.00 -1.56 0.00 0.00 34.95 29.68 2k0f s ARG 70 CO 0.28 -0.69 0.95 0.21 -0.81 0.00 0.00 175.30 175.24 2k0f s LYS 71 N 3.26 4.80 0.21 5.12 2.20 -1.26 -5.04 119.74 129.02 2k0f s LYS 71 Ca 0.63 1.48 0.08 0.00 -0.36 0.00 0.00 55.97 57.79 2k0f s LYS 71 Cb -0.28 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 32.69 2k0f s LYS 71 CO 0.23 0.41 0.05 -1.64 -0.36 0.00 0.00 175.35 174.04 2k0f s MET 72 N -0.79 2.52 0.84 4.03 -1.94 -1.26 -5.12 119.30 117.58 2k0f s MET 72 Ca 0.43 -1.14 -0.11 0.00 -1.71 0.00 0.00 55.69 53.16 2k0f s MET 72 Cb -0.25 -2.38 0.09 0.00 2.01 0.00 0.00 34.83 34.30 2k0f s MET 72 CO 0.31 0.43 1.09 -1.59 -0.01 0.00 0.00 175.02 175.26 2k0f s LYS 73 N -3.28 1.74 0.00 2.03 -2.85 -1.26 -4.48 119.74 111.64 2k0f s LYS 73 Ca 0.30 1.07 0.00 0.00 -1.00 0.00 0.00 55.97 56.34 2k0f s LYS 73 Cb -0.08 -1.84 0.00 0.00 -2.06 0.00 0.00 37.83 33.84 2k0f s LYS 73 CO 0.20 -1.98 0.00 -0.40 0.10 0.00 0.00 175.35 173.28 2k0f n ASP 74 N -3.74 0.00 -0.31 0.03 5.68 -1.26 -1.33 116.55 115.62 2k0f n ASP 74 Ca 0.08 0.00 0.03 0.00 -0.50 0.00 0.00 54.79 54.40 2k0f n ASP 74 Cb 0.54 0.00 0.17 0.00 -1.14 0.00 0.00 41.12 40.68 2k0f n ASP 74 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 2k0f h THR 75 N 0.00 0.98 0.00 2.12 2.02 -2.02 -2.92 112.91 113.09 2k0f h THR 75 Ca 0.00 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 2k0f h THR 75 Cb 0.00 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.38 2k0f h THR 75 CO 0.00 0.17 -0.16 0.44 0.37 0.00 0.00 175.52 176.34 2k0f h ASP 76 N 0.92 0.00 0.24 4.18 3.32 -1.57 -3.10 116.42 120.41 2k0f h ASP 76 Ca 0.40 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.44 2k0f h ASP 76 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2k0f h ASP 76 CO -0.22 0.16 -0.12 -1.28 -1.72 0.00 0.00 179.24 176.07 2k0f h SER 77 N 0.00 -0.28 -0.74 6.45 0.87 -1.00 -3.12 113.55 115.73 2k0f h SER 77 Ca -0.00 -0.23 0.10 0.00 -1.23 0.00 0.00 61.79 60.43 2k0f h SER 77 Cb 0.82 0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.80 2k0f h SER 77 CO 0.02 0.22 0.49 1.05 -0.53 0.00 0.00 176.83 178.08 2k0f h GLU 78 N -0.94 0.60 -0.78 2.24 4.11 -1.66 -2.61 114.58 115.55 2k0f h GLU 78 Ca -0.03 -0.04 0.13 0.00 0.07 0.00 0.00 59.36 59.49 2k0f h GLU 78 Cb 0.49 -0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 2k0f h GLU 78 CO 0.06 0.40 0.52 1.49 0.07 0.00 0.00 179.01 181.54 2k0f h GLU 79 N 0.62 0.54 0.00 1.06 4.57 -1.48 -2.29 114.58 117.61 2k0f h GLU 79 Ca 0.34 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.49 2k0f h GLU 79 Cb 0.51 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 28.98 2k0f h GLU 79 CO -0.12 0.36 -0.01 1.49 -1.18 0.00 0.00 179.01 179.55 2k0f h GLU 80 N 0.56 0.00 0.07 1.92 4.81 -1.41 0.30 114.58 120.83 2k0f h GLU 80 Ca 0.38 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 59.28 2k0f h GLU 80 Cb 0.69 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.04 2k0f h GLU 80 CO -0.14 0.01 -1.88 -0.89 -0.73 0.00 0.00 179.01 175.38 2k0f n ILE 81 N -3.47 1.70 -0.15 2.32 2.08 -0.86 -3.09 119.36 117.90 2k0f n ILE 81 Ca -0.03 -0.72 -0.06 0.00 0.56 0.00 0.00 62.75 62.50 2k0f n ILE 81 Cb 0.10 -1.40 0.02 0.00 -0.75 0.00 0.00 39.64 37.61 2k0f n ILE 81 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 2k0f h ARG 82 N 0.04 0.52 -0.81 0.38 3.08 -1.47 -1.58 114.38 114.54 2k0f h ARG 82 Ca -0.37 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 59.70 2k0f h ARG 82 Cb 2.03 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 31.91 2k0f h ARG 82 CO 0.08 0.34 0.51 0.93 -1.07 0.00 0.00 179.97 180.76 2k0f h GLU 83 N 0.54 0.92 -0.70 0.04 4.39 -0.54 -2.66 114.58 116.57 2k0f h GLU 83 Ca 0.18 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 2k0f h GLU 83 Cb 0.02 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.43 2k0f h GLU 83 CO -0.09 0.61 0.42 0.00 -1.16 0.00 0.00 179.01 178.80 2k0f h ALA 84 N 1.37 0.89 -0.51 3.43 0.00 -1.29 -2.23 119.26 120.93 2k0f h ALA 84 Ca 0.34 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.18 2k0f h ALA 84 Cb 0.11 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2k0f h ALA 84 CO -0.15 0.36 0.34 0.35 0.00 0.00 0.00 179.25 180.14 2k0f h PHE 85 N 0.95 0.63 -0.50 0.00 3.04 -1.10 -2.43 116.94 117.53 2k0f h PHE 85 Ca 0.25 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.18 2k0f h PHE 85 Cb -0.04 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.24 2k0f h PHE 85 CO -0.01 0.39 0.17 0.00 -2.02 0.00 0.00 178.31 176.84 2k0f h ARG 86 N 0.67 0.73 -0.21 1.11 3.08 -1.06 -0.81 114.38 117.90 2k0f h ARG 86 Ca 0.19 -0.12 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 2k0f h ARG 86 Cb -0.06 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 2k0f h ARG 86 CO -0.04 0.62 -0.05 0.28 -1.07 0.00 0.00 179.97 179.71 2k0f h VAL 87 N 0.72 1.28 -0.36 2.04 2.07 -1.31 -3.32 116.25 117.37 2k0f h VAL 87 Ca 0.17 -1.03 -0.13 0.00 0.82 0.00 0.00 66.70 66.53 2k0f h VAL 87 Cb 0.19 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 2k0f h VAL 87 CO -0.01 0.31 -0.30 -0.26 0.02 0.00 0.00 177.57 177.34 2k0f h PHE 88 N 0.13 0.91 -3.61 1.57 0.04 -1.30 -3.33 116.94 111.34 2k0f h PHE 88 Ca 0.05 -0.23 -0.78 0.00 2.80 0.00 0.00 57.97 59.80 2k0f h PHE 88 Cb 0.50 -0.21 -0.26 0.00 2.20 0.00 0.00 35.95 38.19 2k0f h PHE 88 CO 0.05 0.98 0.29 0.34 -0.60 0.00 0.00 178.31 179.37 2k0f s ASP 89 N -6.79 6.93 0.14 2.17 2.15 -0.32 -4.87 116.67 116.08 2k0f s ASP 89 Ca -0.09 -2.93 -0.04 0.00 0.43 0.00 0.00 52.55 49.92 2k0f s ASP 89 Cb 0.12 -2.23 -0.05 0.00 -0.30 0.00 0.00 42.92 40.47 2k0f s ASP 89 CO 0.85 -0.52 1.35 0.50 -0.17 0.00 0.00 175.17 177.17 2k0f h LYS 90 N 7.49 0.42 0.61 4.34 1.63 -1.74 -3.24 116.57 126.09 2k0f h LYS 90 Ca 0.14 -0.41 -0.03 0.00 -0.85 0.00 0.00 60.65 59.50 2k0f h LYS 90 Cb 0.98 0.11 0.01 0.00 -0.60 0.00 0.00 32.23 32.73 2k0f h LYS 90 CO 0.87 1.06 -0.29 0.38 -3.45 0.00 0.00 179.45 178.02 2k0f h ASP 91 N 0.26 -0.69 0.00 4.20 2.03 -1.90 -3.50 116.42 116.81 2k0f h ASP 91 Ca -0.06 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.23 2k0f h ASP 91 Cb 1.48 0.18 0.00 0.00 -0.83 0.00 0.00 39.33 40.15 2k0f h ASP 91 CO 0.15 -0.32 0.00 0.61 -1.03 0.00 0.00 179.24 178.65 2k0f n GLY 92 N -0.52 0.74 0.09 7.15 0.00 -1.22 -5.05 105.19 106.37 2k0f n GLY 92 Ca -0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.87 2k0f n GLY 92 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 93 N 0.00 0.00 0.00 1.61 -1.07 -1.96 -3.48 115.58 110.68 2k0f h ASN 93 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2k0f h ASN 93 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 2k0f h ASN 93 CO 0.00 0.80 0.00 0.61 0.07 0.00 0.00 177.43 178.91 2k0f n GLY 94 N 1.41 0.51 2.81 9.14 0.00 -1.26 -5.11 105.19 112.68 2k0f n GLY 94 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.33 0.02 -0.13 1.61 2.02 -1.26 -4.35 117.35 113.93 2k0f s TYR 95 Ca 0.00 0.08 -0.13 0.00 -0.37 0.00 0.00 57.07 56.64 2k0f s TYR 95 Cb 0.00 -0.15 -0.05 0.00 -0.40 0.00 0.00 41.96 41.37 2k0f s TYR 95 CO 0.00 -0.05 0.29 0.42 -1.57 0.00 0.00 175.55 174.64 2k0f s ILE 96 N 0.65 5.29 0.58 2.71 1.01 -1.10 -4.87 121.20 125.47 2k0f s ILE 96 Ca -0.05 0.55 0.08 0.00 0.00 0.00 0.00 60.65 61.23 2k0f s ILE 96 Cb -0.08 -3.62 0.08 0.00 0.01 0.00 0.00 42.46 38.86 2k0f s ILE 96 CO -0.02 0.44 0.69 -1.54 0.00 0.00 0.00 174.94 174.51 2k0f n SER 97 N 3.15 2.35 -0.04 3.58 3.41 -1.26 -1.42 113.62 123.39 2k0f n SER 97 Ca -0.13 -2.68 -0.08 0.00 -0.26 0.00 0.00 58.87 55.71 2k0f n SER 97 Cb 0.52 -0.31 -0.02 0.00 -0.26 0.00 0.00 64.21 64.15 2k0f n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k0f h ALA 98 N 0.29 -0.13 -0.43 7.33 0.00 -1.97 -1.88 119.26 122.48 2k0f h ALA 98 Ca -0.30 0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.74 2k0f h ALA 98 Cb 1.28 0.47 -0.05 0.00 0.00 0.00 0.00 17.79 19.49 2k0f h ALA 98 CO 0.45 -0.66 0.14 0.00 0.00 0.00 0.00 179.25 179.17 2k0f h ALA 99 N 0.80 0.50 -0.74 0.00 0.00 -1.96 -1.36 119.26 116.50 2k0f h ALA 99 Ca 0.13 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.16 2k0f h ALA 99 Cb 0.44 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 2k0f h ALA 99 CO -0.36 -0.26 0.44 0.93 0.00 0.00 0.00 179.25 180.00 2k0f h GLU 100 N 0.29 0.78 -0.22 0.00 5.08 -1.96 -2.64 114.58 115.90 2k0f h GLU 100 Ca 0.20 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.32 2k0f h GLU 100 Cb 0.21 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2k0f h GLU 100 CO -0.22 0.51 -0.62 1.25 -1.00 0.00 0.00 179.01 178.94 2k0f h LEU 101 N 0.80 0.87 -1.82 1.33 5.85 -0.42 -1.08 115.31 120.83 2k0f h LEU 101 Ca 0.33 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 58.55 2k0f h LEU 101 Cb 0.18 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 2k0f h LEU 101 CO -0.18 1.28 0.12 -0.09 -0.34 0.00 0.00 178.44 179.23 2k0f h ARG 102 N 0.57 0.23 0.03 1.25 2.43 -1.16 -2.37 114.38 115.37 2k0f h ARG 102 Ca -0.01 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2k0f h ARG 102 Cb 1.22 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 2k0f h ARG 102 CO 0.13 0.16 -0.02 1.25 -1.51 0.00 0.00 179.97 179.98 2k0f h HIS 103 N 0.24 -0.04 0.00 2.20 2.76 -1.20 -3.21 115.15 115.90 2k0f h HIS 103 Ca 0.06 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.18 2k0f h HIS 103 Cb -0.02 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 28.94 2k0f h HIS 103 CO 0.00 0.61 -0.26 -0.39 -1.30 0.00 0.00 177.93 176.59 2k0f h VAL 104 N -0.94 0.66 0.00 5.26 -1.51 -1.03 -2.62 116.25 116.07 2k0f h VAL 104 Ca -0.00 -1.21 -0.00 0.00 -1.23 0.00 0.00 66.70 64.26 2k0f h VAL 104 Cb 0.67 1.79 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 2k0f h VAL 104 CO 0.01 0.26 -0.00 0.24 -1.23 0.00 0.00 177.57 176.84 2k0f h MET 105 N 0.00 -0.01 -0.90 5.19 2.07 -1.62 -2.56 114.93 117.11 2k0f h MET 105 Ca -0.00 0.00 0.04 0.00 -2.07 0.00 0.00 59.70 57.67 2k0f h MET 105 Cb 0.77 0.00 -0.05 0.00 -1.87 0.00 0.00 31.60 30.45 2k0f h MET 105 CO 0.03 0.51 0.58 1.15 1.07 0.00 0.00 176.91 180.25 2k0f h THR 106 N -0.52 1.13 0.00 2.22 2.02 -1.34 -1.20 112.91 115.22 2k0f h THR 106 Ca -0.00 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.79 2k0f h THR 106 Cb 0.52 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.85 2k0f h THR 106 CO 0.00 0.20 -0.04 0.78 0.37 0.00 0.00 175.52 176.83 2k0f h ASN 107 N 1.11 0.00 -0.00 4.18 2.35 -1.46 -3.00 115.58 118.76 2k0f h ASN 107 Ca 0.36 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.05 2k0f h ASN 107 Cb 0.03 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.41 2k0f h ASN 107 CO -0.13 0.04 -0.26 0.25 -1.65 0.00 0.00 177.43 175.69 2k0f h LEU 108 N 0.00 0.23 0.00 1.61 5.85 -0.94 -3.14 115.31 118.92 2k0f h LEU 108 Ca -0.00 -0.77 0.00 0.00 0.84 0.00 0.00 57.88 57.95 2k0f h LEU 108 Cb 0.55 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.50 2k0f h LEU 108 CO 0.01 0.97 0.00 0.61 -0.34 0.00 0.00 178.44 179.69 2k0f n GLY 109 N 1.03 -0.42 3.19 3.75 0.00 -0.56 -4.97 105.19 107.21 2k0f n GLY 109 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 2.39 -1.13 1.61 0.41 -0.58 -4.97 118.70 116.43 2k0f s GLU 110 Ca 0.00 -1.81 -0.21 0.00 -0.41 0.00 0.00 54.97 52.54 2k0f s GLU 110 Cb 0.00 -3.85 0.06 0.00 -1.78 0.00 0.00 34.13 28.56 2k0f s GLU 110 CO 0.00 -1.17 1.55 0.15 -0.49 0.00 0.00 175.26 175.30 2k0f s LYS 111 N 1.26 3.76 0.39 1.61 1.02 -1.26 -1.93 119.74 124.59 2k0f s LYS 111 Ca 0.07 -1.52 -0.22 0.00 0.02 0.00 0.00 55.97 54.32 2k0f s LYS 111 Cb -0.25 -5.41 -0.11 0.00 -0.52 0.00 0.00 37.83 31.55 2k0f s LYS 111 CO -0.02 -2.20 0.93 -0.51 -0.92 0.00 0.00 175.35 172.63 2k0f s LEU 112 N 4.52 4.06 0.66 3.17 1.43 -1.26 -5.03 118.68 126.22 2k0f s LEU 112 Ca 0.48 1.70 0.04 0.00 -1.03 0.00 0.00 54.13 55.33 2k0f s LEU 112 Cb 0.01 -4.36 0.11 0.00 0.03 0.00 0.00 46.19 41.98 2k0f s LEU 112 CO -0.03 -0.27 0.91 0.42 0.23 0.00 0.00 176.35 177.61 2k0f s THR 113 N -2.01 2.11 0.08 5.49 -4.23 -1.26 -4.99 115.64 110.83 2k0f s THR 113 Ca 0.58 -0.79 -0.14 0.00 -1.18 0.00 0.00 61.69 60.17 2k0f s THR 113 Cb -0.12 -2.32 -0.19 0.00 1.34 0.00 0.00 72.50 71.22 2k0f s THR 113 CO 0.16 0.00 1.25 0.44 -0.54 0.00 0.00 174.62 175.93 2k0f h ASP 114 N -0.22 0.90 -0.52 3.99 3.32 -1.99 -2.95 116.42 118.95 2k0f h ASP 114 Ca -0.33 -0.67 0.10 0.00 0.02 0.00 0.00 57.03 56.15 2k0f h ASP 114 Cb 1.28 -0.27 -0.11 0.00 0.22 0.00 0.00 39.33 40.45 2k0f h ASP 114 CO 0.40 1.43 -0.28 -0.08 -1.72 0.00 0.00 179.24 178.99 2k0f h GLU 115 N 0.44 -0.15 -0.74 3.56 4.81 -1.98 0.43 114.58 120.95 2k0f h GLU 115 Ca -0.08 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.25 2k0f h GLU 115 Cb 1.48 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 30.82 2k0f h GLU 115 CO 0.17 -0.10 0.40 0.93 -0.73 0.00 0.00 179.01 179.68 2k0f h GLU 116 N -0.16 0.68 -0.14 1.92 5.08 -1.96 -2.87 114.58 117.12 2k0f h GLU 116 Ca 0.23 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 2k0f h GLU 116 Cb 0.52 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 2k0f h GLU 116 CO -0.61 0.45 -0.05 0.28 -1.00 0.00 0.00 179.01 178.08 2k0f h VAL 117 N 0.70 1.30 -0.79 3.13 2.07 -1.18 -2.31 116.25 119.17 2k0f h VAL 117 Ca 0.35 -1.03 0.18 0.00 0.82 0.00 0.00 66.70 67.03 2k0f h VAL 117 Cb 0.31 1.68 -0.12 0.00 -1.52 0.00 0.00 31.29 31.65 2k0f h VAL 117 CO -0.24 0.30 0.20 -0.78 0.02 0.00 0.00 177.57 177.08 2k0f h ASP 118 N -0.03 0.02 -0.20 0.57 1.82 -0.04 0.14 116.42 118.71 2k0f h ASP 118 Ca 0.03 0.16 -0.03 0.00 -0.39 0.00 0.00 57.03 56.80 2k0f h ASP 118 Cb 0.49 0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.70 2k0f h ASP 118 CO 0.02 -0.07 -0.01 -0.08 -1.61 0.00 0.00 179.24 177.49 2k0f h GLU 119 N 0.26 0.35 -0.49 0.28 4.81 -1.50 -2.14 114.58 116.16 2k0f h GLU 119 Ca 0.46 -0.12 0.07 0.00 -0.13 0.00 0.00 59.36 59.64 2k0f h GLU 119 Cb 0.83 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.12 2k0f h GLU 119 CO -0.55 0.57 0.15 1.98 -0.73 0.00 0.00 179.01 180.43 2k0f h MET 120 N 0.10 0.31 0.16 1.92 4.05 -0.82 -0.42 114.93 120.22 2k0f h MET 120 Ca 0.05 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.45 2k0f h MET 120 Cb 0.42 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.15 2k0f h MET 120 CO 0.01 0.20 -0.07 0.82 0.23 0.00 0.00 176.91 178.10 2k0f h ILE 121 N 0.32 0.98 0.00 1.77 1.08 -0.71 -2.63 117.51 118.33 2k0f h ILE 121 Ca 0.24 -0.81 -0.04 0.00 -0.39 0.00 0.00 64.86 63.86 2k0f h ILE 121 Cb 0.27 1.47 -0.01 0.00 -3.07 0.00 0.00 36.82 35.48 2k0f h ILE 121 CO -0.26 0.18 -0.18 0.03 -0.69 0.00 0.00 178.15 177.23 2k0f h ARG 122 N -0.62 0.00 0.10 2.37 -0.00 -1.31 0.24 114.38 115.17 2k0f h ARG 122 Ca -0.02 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.45 2k0f h ARG 122 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.43 2k0f h ARG 122 CO 0.04 0.18 -0.05 1.49 0.00 0.00 0.00 179.97 181.62 2k0f h GLU 123 N 0.00 -0.13 0.20 0.04 4.81 -0.91 -3.33 114.58 115.26 2k0f h GLU 123 Ca -0.00 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2k0f h GLU 123 Cb 0.34 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.75 2k0f h GLU 123 CO 0.02 -0.07 -0.10 0.00 -0.73 0.00 0.00 179.01 178.14 2k0f h ALA 124 N 0.74 -0.27 -1.98 2.92 0.00 -0.99 -3.44 119.26 116.24 2k0f h ALA 124 Ca -0.01 -0.18 -0.58 0.00 0.00 0.00 0.00 54.91 54.14 2k0f h ALA 124 Cb 0.12 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2k0f h ALA 124 CO 0.02 -0.49 1.35 0.34 0.00 0.00 0.00 179.25 180.47 2k0f s ASP 125 N -5.23 5.81 -0.23 0.00 2.15 0.79 -4.82 116.67 115.15 2k0f s ASP 125 Ca -0.15 1.72 -0.15 0.00 0.43 0.00 0.00 52.55 54.40 2k0f s ASP 125 Cb 0.03 -2.52 -0.17 0.00 -0.30 0.00 0.00 42.92 39.95 2k0f s ASP 125 CO 0.59 -1.70 0.00 0.00 -0.17 0.00 0.00 175.17 173.89 2k0f n ILE 126 N 7.28 1.56 0.34 4.11 0.13 -1.26 -4.69 119.36 126.83 2k0f n ILE 126 Ca 0.25 -0.27 -0.16 0.00 -1.10 0.00 0.00 62.75 61.47 2k0f n ILE 126 Cb 0.45 -1.90 -0.08 0.00 -0.84 0.00 0.00 39.64 37.27 2k0f n ILE 126 CO 0.00 0.00 0.00 -2.24 2.80 0.00 0.00 176.55 177.11 2k0f h ASP 127 N -0.80 -1.08 0.00 9.51 3.04 -1.94 -3.48 116.42 121.67 2k0f h ASP 127 Ca -0.50 0.07 0.00 0.00 -3.24 0.00 0.00 57.03 53.36 2k0f h ASP 127 Cb 1.54 0.32 0.00 0.00 -1.04 0.00 0.00 39.33 40.16 2k0f h ASP 127 CO -0.24 -0.63 0.00 0.61 -2.04 0.00 0.00 179.24 176.94 2k0f n GLY 128 N -1.52 0.20 0.15 7.15 0.00 -1.26 -5.05 105.19 104.86 2k0f n GLY 128 Ca -0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.02 2k0f n GLY 128 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 129 N 0.00 0.00 0.00 1.61 3.04 -1.94 -3.46 116.42 115.66 2k0f h ASP 129 Ca 0.00 -0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.76 2k0f h ASP 129 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2k0f h ASP 129 CO 0.00 0.01 0.00 0.61 -2.04 0.00 0.00 179.24 177.82 2k0f n GLY 130 N 1.21 0.69 3.90 7.15 0.00 -1.26 -5.05 105.19 111.83 2k0f n GLY 130 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.67 3.64 -0.36 1.61 -0.21 -1.26 -4.08 119.66 118.33 2k0f s GLN 131 Ca 0.00 -0.03 -0.09 0.00 0.02 0.00 0.00 55.36 55.26 2k0f s GLN 131 Cb 0.00 -2.75 0.04 0.00 1.00 0.00 0.00 33.01 31.30 2k0f s GLN 131 CO 0.00 0.35 0.16 0.08 -2.12 0.00 0.00 175.29 173.76 2k0f s VAL 132 N -1.85 4.19 0.46 1.09 1.01 -0.51 -4.74 120.40 120.05 2k0f s VAL 132 Ca 0.43 -1.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.37 2k0f s VAL 132 Cb -0.11 -3.36 0.10 0.00 0.00 0.00 0.00 36.38 33.00 2k0f s VAL 132 CO 0.26 -0.22 0.63 -0.46 0.00 0.00 0.00 175.10 175.31 2k0f n ASN 133 N 4.91 0.59 -0.16 3.32 0.23 -1.26 -2.70 115.26 120.19 2k0f n ASN 133 Ca -0.12 -1.56 -0.08 0.00 -0.53 0.00 0.00 54.58 52.29 2k0f n ASN 133 Cb 0.45 -0.43 0.00 0.00 -2.08 0.00 0.00 39.78 37.73 2k0f n ASN 133 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 2k0f h TYR 134 N -0.75 0.67 -0.18 -2.53 3.20 -2.00 -2.42 116.97 112.96 2k0f h TYR 134 Ca -0.21 -0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.54 2k0f h TYR 134 Cb 0.70 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.76 2k0f h TYR 134 CO 0.00 0.56 -0.20 1.49 -1.64 0.00 0.00 178.16 178.37 2k0f h GLU 135 N 0.60 0.45 -0.76 1.82 4.81 -1.97 -0.21 114.58 119.31 2k0f h GLU 135 Ca 0.16 -0.24 0.14 0.00 -0.13 0.00 0.00 59.36 59.28 2k0f h GLU 135 Cb 0.15 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.45 2k0f h GLU 135 CO -0.02 0.82 0.32 0.93 -0.73 0.00 0.00 179.01 180.34 2k0f h GLU 136 N 0.10 0.47 0.56 1.92 5.08 -1.88 -0.75 114.58 120.08 2k0f h GLU 136 Ca 0.03 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2k0f h GLU 136 Cb 0.74 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.90 2k0f h GLU 136 CO 0.05 0.31 -0.27 0.35 -1.00 0.00 0.00 179.01 178.45 2k0f h PHE 137 N 0.48 -0.70 -0.67 4.33 3.57 -1.33 -2.32 116.94 120.30 2k0f h PHE 137 Ca 0.41 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.82 2k0f h PHE 137 Cb 0.61 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.55 2k0f h PHE 137 CO -0.15 -0.38 0.10 0.28 -2.23 0.00 0.00 178.31 175.92 2k0f h VAL 138 N -0.89 1.27 -0.00 1.41 2.07 -0.27 -2.27 116.25 117.56 2k0f h VAL 138 Ca -0.08 -1.06 0.00 0.00 0.82 0.00 0.00 66.70 66.38 2k0f h VAL 138 Cb 0.63 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2k0f h VAL 138 CO 0.13 0.40 -0.19 0.00 0.02 0.00 0.00 177.57 177.92 2k0f n GLN 139 N -4.20 0.04 0.06 1.57 1.13 -0.36 -0.83 117.38 114.79 2k0f n GLN 139 Ca 0.04 -0.01 -0.13 0.00 -1.94 0.00 0.00 57.00 54.96 2k0f n GLN 139 Cb 0.30 -1.50 -0.09 0.00 0.11 0.00 0.00 30.24 29.07 2k0f n GLN 139 CO 0.00 0.00 0.00 1.98 -1.44 0.00 0.00 177.06 177.60 2k0f h MET 140 N 0.03 -0.16 -0.02 -1.09 1.85 -1.22 -3.40 114.93 110.92 2k0f h MET 140 Ca 0.00 0.01 -0.13 0.00 -0.61 0.00 0.00 59.70 58.97 2k0f h MET 140 Cb 0.49 0.04 0.01 0.00 0.43 0.00 0.00 31.60 32.57 2k0f h MET 140 CO 0.00 0.21 -0.49 0.52 -0.40 0.00 0.00 176.91 176.75 2k0f h MET 141 N -0.57 0.36 0.00 0.39 2.86 -0.71 -3.51 114.93 113.74 2k0f h MET 141 Ca -0.02 -0.37 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 2k0f h MET 141 Cb 0.45 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.21 2k0f h MET 141 CO 0.03 1.04 0.00 0.25 1.06 0.00 0.00 176.91 179.29