#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 0.00 -0.03 -0.78 4.39 -2.05 -2.99 114.58 113.12 2k0f h GLU 2 Ca 0.00 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 2k0f h GLU 2 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2k0f h GLU 2 CO 0.00 0.59 -0.51 0.93 -1.16 0.00 0.00 179.01 178.87 2k0f h GLU 3 N 0.00 0.07 -0.57 2.33 4.39 -2.05 -1.97 114.58 116.77 2k0f h GLU 3 Ca -0.01 -0.04 -0.09 0.00 0.34 0.00 0.00 59.36 59.57 2k0f h GLU 3 Cb 1.28 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.91 2k0f h GLU 3 CO 0.08 0.56 -0.00 1.96 -1.16 0.00 0.00 179.01 180.44 2k0f h GLN 4 N 0.05 0.99 -0.43 2.33 4.20 -1.97 -1.69 115.11 118.59 2k0f h GLN 4 Ca -0.00 -0.30 -0.11 0.00 0.06 0.00 0.00 58.65 58.30 2k0f h GLN 4 Cb 0.91 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.58 2k0f h GLN 4 CO 0.07 0.97 -0.16 0.82 -0.67 0.00 0.00 178.83 179.86 2k0f h ILE 5 N 0.91 1.28 0.00 2.54 1.08 -1.58 -2.95 117.51 118.79 2k0f h ILE 5 Ca 0.16 -1.29 -0.03 0.00 -0.39 0.00 0.00 64.86 63.31 2k0f h ILE 5 Cb 0.53 1.20 -0.00 0.00 -3.07 0.00 0.00 36.82 35.48 2k0f h ILE 5 CO 0.03 0.44 -0.16 0.00 -0.69 0.00 0.00 178.15 177.76 2k0f h ALA 6 N 0.84 1.04 0.05 1.87 0.00 -1.15 0.67 119.26 122.58 2k0f h ALA 6 Ca 0.10 -0.15 -0.27 0.00 0.00 0.00 0.00 54.91 54.60 2k0f h ALA 6 Cb 0.71 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.49 2k0f h ALA 6 CO 0.05 0.20 -1.11 1.49 0.00 0.00 0.00 179.25 179.88 2k0f h GLU 7 N 0.00 0.58 -0.37 0.00 4.81 -1.19 -2.42 114.58 115.99 2k0f h GLU 7 Ca -0.00 -0.70 -0.10 0.00 -0.13 0.00 0.00 59.36 58.43 2k0f h GLU 7 Cb 0.65 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.23 2k0f h GLU 7 CO 0.02 1.29 -0.20 0.74 -0.73 0.00 0.00 179.01 180.14 2k0f h PHE 8 N 0.29 0.79 -0.55 0.92 0.04 -1.16 -3.21 116.94 114.06 2k0f h PHE 8 Ca -0.14 -0.17 -0.01 0.00 2.80 0.00 0.00 57.97 60.45 2k0f h PHE 8 Cb 1.77 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 39.70 2k0f h PHE 8 CO 0.09 0.84 0.30 -0.22 -0.60 0.00 0.00 178.31 178.73 2k0f h LYS 9 N 0.62 0.75 -0.32 1.51 3.64 0.35 0.28 116.57 123.41 2k0f h LYS 9 Ca 0.09 -0.07 -0.15 0.00 -1.27 0.00 0.00 60.65 59.26 2k0f h LYS 9 Cb 0.67 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 2k0f h LYS 9 CO 0.05 0.55 -0.37 0.93 -2.27 0.00 0.00 179.45 178.34 2k0f h GLU 10 N 0.76 0.82 -0.58 1.90 4.39 -1.54 -1.94 114.58 118.39 2k0f h GLU 10 Ca 0.20 -0.45 -0.06 0.00 0.34 0.00 0.00 59.36 59.39 2k0f h GLU 10 Cb 0.02 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 2k0f h GLU 10 CO -0.03 1.08 0.13 0.00 -1.16 0.00 0.00 179.01 179.03 2k0f h ALA 11 N 0.72 1.15 -0.11 3.43 0.00 -1.41 -3.17 119.26 119.87 2k0f h ALA 11 Ca 0.05 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 2k0f h ALA 11 Cb 0.96 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2k0f h ALA 11 CO 0.09 0.57 -0.41 0.35 0.00 0.00 0.00 179.25 179.85 2k0f h PHE 12 N 0.86 0.30 0.00 0.00 3.57 -0.33 -1.99 116.94 119.34 2k0f h PHE 12 Ca 0.19 -0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.60 2k0f h PHE 12 Cb 0.32 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.99 2k0f h PHE 12 CO 0.02 0.63 0.28 0.77 -2.23 0.00 0.00 178.31 177.78 2k0f h SER 13 N 0.21 0.00 -0.09 0.41 0.02 -1.32 -0.25 113.55 112.53 2k0f h SER 13 Ca 0.02 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.75 2k0f h SER 13 Cb 0.82 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.37 2k0f h SER 13 CO 0.06 0.00 -0.78 -0.07 -1.14 0.00 0.00 176.83 174.90 2k0f h LEU 14 N 0.00 0.89 0.46 5.07 3.38 -1.46 -3.35 115.31 120.30 2k0f h LEU 14 Ca 0.00 -0.59 -0.02 0.00 0.09 0.00 0.00 57.88 57.36 2k0f h LEU 14 Cb 0.56 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2k0f h LEU 14 CO 0.00 1.38 -0.22 -0.26 0.09 0.00 0.00 178.44 179.43 2k0f h PHE 15 N 0.51 -0.57 -2.49 1.13 0.04 -1.50 -3.42 116.94 110.64 2k0f h PHE 15 Ca -0.05 -0.01 -0.53 0.00 2.80 0.00 0.00 57.97 60.17 2k0f h PHE 15 Cb 1.40 0.19 -0.05 0.00 2.20 0.00 0.00 35.95 39.69 2k0f h PHE 15 CO 0.08 -0.35 1.19 0.34 -0.60 0.00 0.00 178.31 178.97 2k0f s ASP 16 N -4.66 5.85 0.37 2.17 -1.08 -0.16 -4.54 116.67 114.62 2k0f s ASP 16 Ca -0.09 0.30 0.20 0.00 -0.52 0.00 0.00 52.55 52.44 2k0f s ASP 16 Cb 0.01 -2.54 0.38 0.00 -1.46 0.00 0.00 42.92 39.31 2k0f s ASP 16 CO 0.27 -1.93 1.60 0.11 0.52 0.00 0.00 175.17 175.74 2k0f h LYS 17 N 12.27 0.00 0.30 4.34 1.79 -1.82 -3.29 116.57 130.17 2k0f h LYS 17 Ca -0.27 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.18 2k0f h LYS 17 Cb 1.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.77 2k0f h LYS 17 CO 1.19 0.27 -0.14 -0.44 -1.08 0.00 0.00 179.45 179.24 2k0f h ASP 18 N 0.00 -0.34 -1.40 0.86 3.32 -1.92 -3.49 116.42 113.46 2k0f h ASP 18 Ca -0.00 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.96 2k0f h ASP 18 Cb 1.10 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2k0f h ASP 18 CO 0.03 0.14 0.00 0.61 -1.72 0.00 0.00 179.24 178.30 2k0f n GLY 19 N 0.62 0.56 0.13 2.75 0.00 -1.24 -5.05 105.19 102.95 2k0f n GLY 19 Ca -0.06 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.34 2k0f n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k0f n ASP 20 N -0.70 1.94 0.00 1.61 5.75 -1.26 -5.02 116.55 118.87 2k0f n ASP 20 Ca 0.00 0.36 0.00 0.00 -0.01 0.00 0.00 54.79 55.14 2k0f n ASP 20 Cb 0.32 -0.85 0.00 0.00 -1.03 0.00 0.00 41.12 39.56 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 21 N 1.30 0.21 3.47 6.12 0.00 -1.26 -5.13 105.19 109.90 2k0f n GLY 21 Ca -0.48 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 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 0.00 0.01 -0.13 2.61 -4.23 -1.26 -2.80 115.64 109.84 2k0f s THR 22 Ca 0.00 -0.31 -0.00 0.00 -1.18 0.00 0.00 61.69 60.20 2k0f s THR 22 Cb 0.00 -1.23 -0.01 0.00 1.34 0.00 0.00 72.50 72.60 2k0f s THR 22 CO 0.00 -0.06 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.26 2k0f s ILE 23 N -3.80 3.02 0.46 2.99 1.01 -0.31 -4.65 121.20 119.93 2k0f s ILE 23 Ca 0.04 -0.67 0.05 0.00 0.00 0.00 0.00 60.65 60.06 2k0f s ILE 23 Cb -0.01 -2.26 0.02 0.00 0.01 0.00 0.00 42.46 40.21 2k0f s ILE 23 CO -0.09 0.53 0.64 0.42 0.00 0.00 0.00 174.94 176.44 2k0f s THR 24 N 0.35 3.00 0.39 2.92 -4.23 -1.26 -2.90 115.64 113.91 2k0f s THR 24 Ca -0.11 -0.85 0.09 0.00 -1.18 0.00 0.00 61.69 59.64 2k0f s THR 24 Cb -0.16 -3.05 0.30 0.00 1.34 0.00 0.00 72.50 70.93 2k0f s THR 24 CO 0.06 -0.03 1.97 0.71 -0.54 0.00 0.00 174.62 176.79 2k0f h THR 25 N 0.43 0.97 0.35 3.99 1.35 -1.91 -0.10 112.91 117.99 2k0f h THR 25 Ca -0.41 -0.21 -0.01 0.00 -0.55 0.00 0.00 66.41 65.22 2k0f h THR 25 Cb 1.28 0.30 -0.00 0.00 -1.73 0.00 0.00 68.15 68.00 2k0f h THR 25 CO 0.49 0.11 -0.19 0.50 -0.25 0.00 0.00 175.52 176.18 2k0f h LYS 26 N 0.62 -0.49 -0.40 4.72 3.64 -1.97 0.21 116.57 122.90 2k0f h LYS 26 Ca 0.30 0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.61 2k0f h LYS 26 Cb 0.36 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 2k0f h LYS 26 CO -0.10 -0.33 -0.17 0.93 -2.27 0.00 0.00 179.45 177.52 2k0f h GLU 27 N -0.51 0.75 -0.01 1.90 5.08 -1.72 -0.28 114.58 119.78 2k0f h GLU 27 Ca -0.04 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 57.98 2k0f h GLU 27 Cb 0.41 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2k0f h GLU 27 CO 0.06 0.87 -0.23 1.25 -1.00 0.00 0.00 179.01 179.96 2k0f h LEU 28 N 0.66 0.22 -1.50 1.33 5.85 -1.11 -2.38 115.31 118.39 2k0f h LEU 28 Ca 0.10 -0.75 -0.05 0.00 0.84 0.00 0.00 57.88 58.02 2k0f h LEU 28 Cb 0.66 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 2k0f h LEU 28 CO 0.05 0.94 -0.26 1.23 -0.34 0.00 0.00 178.44 180.06 2k0f h GLY 29 N -0.48 0.00 1.45 3.75 0.00 -0.50 -1.93 103.07 105.37 2k0f h GLY 29 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.05 2k0f h GLY 29 CO 0.05 0.00 -1.07 -0.84 0.00 0.00 0.00 176.54 174.67 2k0f h THR 30 N 0.00 1.38 -0.04 4.70 2.02 -1.10 -1.50 112.91 118.37 2k0f h THR 30 Ca -0.00 -2.53 -0.18 0.00 0.77 0.00 0.00 66.41 64.46 2k0f h THR 30 Cb 0.49 2.57 -0.01 0.00 -1.74 0.00 0.00 68.15 69.46 2k0f h THR 30 CO 0.03 0.76 -0.76 1.62 0.37 0.00 0.00 175.52 177.54 2k0f h VAL 31 N 0.23 1.43 0.43 3.16 3.04 -1.34 -1.62 116.25 121.59 2k0f h VAL 31 Ca -0.12 -2.30 -0.01 0.00 -1.01 0.00 0.00 66.70 63.26 2k0f h VAL 31 Cb 1.74 2.23 -0.01 0.00 -2.01 0.00 0.00 31.29 33.24 2k0f h VAL 31 CO 0.19 0.68 -0.33 0.24 -1.01 0.00 0.00 177.57 177.34 2k0f h MET 32 N 0.18 -0.73 -0.05 4.17 2.86 -1.37 -2.78 114.93 117.20 2k0f h MET 32 Ca -0.03 0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 2k0f h MET 32 Cb 1.34 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 33.16 2k0f h MET 32 CO 0.12 -0.49 -0.15 0.07 1.06 0.00 0.00 176.91 177.53 2k0f h ARG 33 N -0.76 0.08 -0.47 1.72 0.11 -1.03 -1.18 114.38 112.85 2k0f h ARG 33 Ca -0.04 -0.02 -0.10 0.00 0.10 0.00 0.00 59.98 59.93 2k0f h ARG 33 Cb 0.65 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 31.70 2k0f h ARG 33 CO 0.00 0.23 -0.10 1.03 0.10 0.00 0.00 179.97 181.24 2k0f h SER 34 N 0.08 0.83 0.14 0.08 0.87 -1.33 -3.35 113.55 110.87 2k0f h SER 34 Ca 0.02 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.32 2k0f h SER 34 Cb 0.31 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2k0f h SER 34 CO 0.02 0.95 -0.06 0.25 -0.53 0.00 0.00 176.83 177.46 2k0f h LEU 35 N 0.76 -0.15 0.00 2.23 5.85 -1.11 -3.47 115.31 119.42 2k0f h LEU 35 Ca 0.13 -0.38 0.00 0.00 0.84 0.00 0.00 57.88 58.47 2k0f h LEU 35 Cb 0.60 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.67 2k0f h LEU 35 CO 0.04 0.44 0.00 0.61 -0.34 0.00 0.00 178.44 179.19 2k0f n GLY 36 N 0.80 -1.92 3.92 3.75 0.00 -0.50 -5.06 105.19 106.18 2k0f n GLY 36 Ca -0.07 0.53 -0.28 0.00 0.00 0.00 0.00 46.02 46.20 2k0f n GLY 36 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k0f s GLN 37 N -1.06 3.55 -0.45 1.61 -1.52 -1.21 -4.75 119.66 115.83 2k0f s GLN 37 Ca 0.00 -0.25 0.04 0.00 -1.95 0.00 0.00 55.36 53.20 2k0f s GLN 37 Cb 0.00 -2.82 0.12 0.00 -0.22 0.00 0.00 33.01 30.09 2k0f s GLN 37 CO 0.00 0.40 0.19 1.21 -0.25 0.00 0.00 175.29 176.83 2k0f s ASN 38 N -2.99 4.43 0.72 5.90 2.47 -1.26 -2.65 114.94 121.56 2k0f s ASN 38 Ca 0.40 -2.70 -0.14 0.00 0.42 0.00 0.00 52.86 50.83 2k0f s ASN 38 Cb -0.11 -1.60 0.04 0.00 -1.45 0.00 0.00 41.25 38.12 2k0f s ASN 38 CO 0.28 -0.28 1.16 -2.84 -3.72 0.00 0.00 177.10 171.70 2k0f s PRO 39 N 0.15 2.28 1.05 0.43 0.02 -1.26 -5.03 135.00 132.64 2k0f s PRO 39 Ca 0.15 1.57 -0.17 0.00 0.02 0.00 0.00 61.00 62.57 2k0f s PRO 39 Cb -0.24 -1.87 0.23 0.00 0.02 0.00 0.00 34.50 32.65 2k0f s PRO 39 CO -0.03 -1.69 1.25 0.95 -0.33 0.00 0.00 177.00 177.15 2k0f s THR 40 N -2.23 1.85 0.05 0.99 -4.23 -1.26 -4.84 115.64 105.96 2k0f s THR 40 Ca 0.70 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 61.05 2k0f s THR 40 Cb -0.25 -2.82 -0.21 0.00 1.34 0.00 0.00 72.50 70.57 2k0f s THR 40 CO 0.46 0.00 1.19 -0.33 -0.54 0.00 0.00 174.62 175.40 2k0f h GLU 41 N -2.00 0.59 -0.92 3.99 5.08 -1.99 -2.51 114.58 116.82 2k0f h GLU 41 Ca -0.44 -0.57 0.18 0.00 -1.00 0.00 0.00 59.36 57.53 2k0f h GLU 41 Cb 1.25 0.15 -0.17 0.00 0.50 0.00 0.00 28.75 30.48 2k0f h GLU 41 CO 0.36 1.19 -0.25 0.00 -1.00 0.00 0.00 179.01 179.30 2k0f n ALA 42 N -2.60 0.17 -0.12 3.43 0.00 -1.26 -2.20 120.51 117.93 2k0f n ALA 42 Ca -0.10 0.99 -0.09 0.00 0.00 0.00 0.00 53.44 54.25 2k0f n ALA 42 Cb 0.73 -0.58 -0.01 0.00 0.00 0.00 0.00 19.45 19.59 2k0f n ALA 42 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2k0f h GLU 43 N 0.00 0.53 -0.58 0.00 5.08 -1.82 -2.50 114.58 115.30 2k0f h GLU 43 Ca 0.42 -0.09 0.03 0.00 -1.00 0.00 0.00 59.36 58.72 2k0f h GLU 43 Cb 0.65 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 2k0f h GLU 43 CO -0.94 0.50 0.38 -0.07 -1.00 0.00 0.00 179.01 177.88 2k0f h LEU 44 N 0.44 0.60 -0.45 1.33 3.38 -1.16 0.68 115.31 120.13 2k0f h LEU 44 Ca 0.12 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.98 2k0f h LEU 44 Cb 0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2k0f h LEU 44 CO -0.01 0.42 -0.11 1.56 0.09 0.00 0.00 178.44 180.39 2k0f h GLN 45 N 0.70 0.87 -0.69 1.13 4.20 -1.44 -0.12 115.11 119.76 2k0f h GLN 45 Ca 0.23 -0.33 -0.06 0.00 0.06 0.00 0.00 58.65 58.54 2k0f h GLN 45 Cb 0.04 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 2k0f h GLN 45 CO -0.06 0.97 0.19 0.22 -0.67 0.00 0.00 178.83 179.48 2k0f h ASP 46 N 0.71 1.03 0.10 1.46 3.58 -0.92 0.95 116.42 123.33 2k0f h ASP 46 Ca 0.11 -0.20 -0.01 0.00 0.42 0.00 0.00 57.03 57.36 2k0f h ASP 46 Cb 0.65 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.43 2k0f h ASP 46 CO 0.04 0.97 -0.05 0.24 -2.88 0.00 0.00 179.24 177.57 2k0f h MET 47 N 1.04 -0.14 -0.79 0.28 2.86 -0.84 -1.67 114.93 115.67 2k0f h MET 47 Ca 0.22 0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.92 2k0f h MET 47 Cb 0.34 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.97 2k0f h MET 47 CO -0.00 0.13 0.49 0.82 1.06 0.00 0.00 176.91 179.41 2k0f h ILE 48 N -0.40 1.06 0.00 -1.22 2.04 -1.06 -2.81 117.51 115.12 2k0f h ILE 48 Ca -0.01 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 2k0f h ILE 48 Cb 0.33 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.47 2k0f h ILE 48 CO 0.02 0.17 -0.00 0.78 0.00 0.00 0.00 178.15 179.12 2k0f h ASN 49 N 0.92 0.00 0.25 1.72 2.35 -0.72 0.39 115.58 120.49 2k0f h ASN 49 Ca 0.34 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.07 2k0f h ASN 49 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2k0f h ASN 49 CO -0.15 0.00 -0.12 -0.33 -1.65 0.00 0.00 177.43 175.18 2k0f h GLU 50 N 0.00 -0.33 0.00 0.81 4.39 -1.03 -3.37 114.58 115.06 2k0f h GLU 50 Ca -0.00 0.02 -0.27 0.00 0.34 0.00 0.00 59.36 59.46 2k0f h GLU 50 Cb 0.01 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.69 2k0f h GLU 50 CO 0.00 -0.10 -1.47 -0.39 -1.16 0.00 0.00 179.01 175.89 2k0f h VAL 51 N -0.52 1.14 -2.43 3.13 -1.51 -1.42 -3.45 116.25 111.18 2k0f h VAL 51 Ca -0.03 -2.94 -0.54 0.00 -1.23 0.00 0.00 66.70 61.95 2k0f h VAL 51 Cb 0.38 2.57 0.01 0.00 -2.13 0.00 0.00 31.29 32.12 2k0f h VAL 51 CO 0.06 0.66 1.20 -0.62 -1.23 0.00 0.00 177.57 177.64 2k0f s ASP 52 N -6.32 6.44 0.02 4.19 2.15 0.08 -4.92 116.67 118.31 2k0f s ASP 52 Ca -0.03 2.45 -0.02 0.00 0.43 0.00 0.00 52.55 55.38 2k0f s ASP 52 Cb 0.09 -2.53 -0.27 0.00 -0.30 0.00 0.00 42.92 39.91 2k0f s ASP 52 CO 0.82 -1.09 0.90 0.00 -0.17 0.00 0.00 175.17 175.64 2k0f h ALA 53 N 10.59 0.29 -0.42 3.66 0.00 -1.90 -3.46 119.26 128.03 2k0f h ALA 53 Ca -0.45 -1.09 0.00 0.00 0.00 0.00 0.00 54.91 53.36 2k0f h ALA 53 Cb 1.22 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2k0f h ALA 53 CO 0.95 1.16 0.00 -0.40 0.00 0.00 0.00 179.25 180.96 2k0f n ASP 54 N -3.43 0.00 0.00 0.00 5.68 -1.26 -5.04 116.55 112.50 2k0f n ASP 54 Ca -0.14 0.23 0.00 0.00 -0.50 0.00 0.00 54.79 54.38 2k0f n ASP 54 Cb 1.03 -0.43 0.00 0.00 -1.14 0.00 0.00 41.12 40.58 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 1.87 0.00 0.08 6.12 0.00 -1.26 -5.03 105.19 106.96 2k0f n GLY 55 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.84 1.61 -1.07 -1.96 -3.48 115.58 109.83 2k0f h ASN 56 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 56.30 56.27 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 0.93 -0.13 0.61 0.07 0.00 0.00 177.43 178.90 2k0f n GLY 57 N 1.40 0.19 3.25 9.14 0.00 -1.26 -5.08 105.19 112.83 2k0f n GLY 57 Ca -0.05 -0.66 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.32 1.64 -0.02 2.61 -4.23 -1.26 -4.83 115.64 107.23 2k0f s THR 58 Ca 0.01 -1.30 -0.30 0.00 -1.18 0.00 0.00 61.69 58.92 2k0f s THR 58 Cb -0.00 -1.45 -0.03 0.00 1.34 0.00 0.00 72.50 72.35 2k0f s THR 58 CO 0.01 0.10 1.11 -0.51 -0.54 0.00 0.00 174.62 174.79 2k0f s ILE 59 N -0.93 4.45 0.72 2.99 2.07 -1.14 -4.89 121.20 124.47 2k0f s ILE 59 Ca 0.07 1.76 -0.02 0.00 -1.41 0.00 0.00 60.65 61.05 2k0f s ILE 59 Cb -0.09 -4.13 0.12 0.00 0.13 0.00 0.00 42.46 38.49 2k0f s ILE 59 CO 0.03 0.08 1.00 -1.81 -1.91 0.00 0.00 174.94 172.32 2k0f s ASP 60 N 1.17 4.36 0.11 4.50 1.11 -1.26 -1.16 116.67 125.50 2k0f s ASP 60 Ca 0.54 -0.28 -0.23 0.00 0.18 0.00 0.00 52.55 52.76 2k0f s ASP 60 Cb -0.24 -0.12 -0.08 0.00 1.07 0.00 0.00 42.92 43.55 2k0f s ASP 60 CO 0.25 -1.85 1.70 0.15 1.18 0.00 0.00 175.17 176.60 2k0f h PHE 61 N -0.55 -0.23 0.00 4.23 3.57 -1.92 -2.36 116.94 119.69 2k0f h PHE 61 Ca -0.37 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.14 2k0f h PHE 61 Cb 1.27 0.11 0.00 0.00 2.79 0.00 0.00 35.95 40.12 2k0f h PHE 61 CO -0.19 -0.14 0.00 -2.30 -2.23 0.00 0.00 178.31 173.45 2k0f n PRO 62 N -5.22 0.21 0.25 6.41 -0.02 -1.26 -1.19 135.00 134.18 2k0f n PRO 62 Ca -0.05 0.27 -0.10 0.00 -2.02 0.00 0.00 63.50 61.61 2k0f n PRO 62 Cb 0.14 -1.80 -0.05 0.00 -0.02 0.00 0.00 33.50 31.78 2k0f n PRO 62 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2k0f h GLU 63 N 0.00 -0.61 -0.79 -0.52 5.08 -1.93 -2.98 114.58 112.83 2k0f h GLU 63 Ca 0.00 0.04 0.16 0.00 -1.00 0.00 0.00 59.36 58.57 2k0f h GLU 63 Cb 0.58 0.14 -0.15 0.00 0.50 0.00 0.00 28.75 29.82 2k0f h GLU 63 CO 0.00 -0.40 -0.16 0.35 -1.00 0.00 0.00 179.01 177.80 2k0f h PHE 64 N -0.68 -0.35 -0.91 4.33 3.04 -1.28 0.37 116.94 121.45 2k0f h PHE 64 Ca -0.06 0.07 0.01 0.00 3.98 0.00 0.00 57.97 61.96 2k0f h PHE 64 Cb 0.48 0.28 -0.05 0.00 2.56 0.00 0.00 35.95 39.23 2k0f h PHE 64 CO 0.10 -0.33 0.60 -0.07 -2.02 0.00 0.00 178.31 176.59 2k0f h LEU 65 N 0.01 1.05 -0.18 0.59 3.38 -1.23 -2.47 115.31 116.46 2k0f h LEU 65 Ca 0.39 -0.03 -0.23 0.00 0.09 0.00 0.00 57.88 58.11 2k0f h LEU 65 Cb 0.62 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.12 2k0f h LEU 65 CO -0.80 0.76 -0.88 0.74 0.09 0.00 0.00 178.44 178.36 2k0f h THR 66 N 1.24 1.34 -0.91 0.22 2.02 -1.31 -2.88 112.91 112.62 2k0f h THR 66 Ca 0.33 -2.22 0.05 0.00 0.77 0.00 0.00 66.41 65.34 2k0f h THR 66 Cb -0.14 2.24 -0.05 0.00 -1.74 0.00 0.00 68.15 68.46 2k0f h THR 66 CO -0.07 0.68 0.59 -0.03 0.37 0.00 0.00 175.52 177.06 2k0f h MET 67 N 0.35 1.07 -0.00 6.66 -1.53 0.18 0.10 114.93 121.75 2k0f h MET 67 Ca -0.07 -0.06 0.00 0.00 -3.44 0.00 0.00 59.70 56.12 2k0f h MET 67 Cb 1.51 -0.24 0.00 0.00 -0.55 0.00 0.00 31.60 32.31 2k0f h MET 67 CO 0.16 0.71 -0.42 -1.33 0.14 0.00 0.00 176.91 176.17 2k0f n MET 68 N -4.46 0.38 0.06 0.39 2.81 -1.01 -3.15 117.12 112.15 2k0f n MET 68 Ca 0.13 -0.23 0.07 0.00 -1.81 0.00 0.00 57.70 55.86 2k0f n MET 68 Cb 0.13 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.09 2k0f n MET 68 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2k0f n ALA 69 N -1.11 2.37 -1.77 3.04 0.00 -0.75 -4.89 120.51 117.40 2k0f n ALA 69 Ca 0.08 -0.40 -0.37 0.00 0.00 0.00 0.00 53.44 52.75 2k0f n ALA 69 Cb 0.34 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.80 2k0f n ALA 69 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k0f s ARG 70 N -3.24 3.81 0.20 0.00 0.52 -0.05 -5.03 118.95 115.17 2k0f s ARG 70 Ca -0.03 1.73 0.08 0.00 -0.52 0.00 0.00 55.73 56.99 2k0f s ARG 70 Cb 0.10 -2.41 -0.04 0.00 0.52 0.00 0.00 34.95 33.11 2k0f s ARG 70 CO 0.82 -0.50 0.04 0.15 0.02 0.00 0.00 175.30 175.82 2k0f s LYS 71 N -2.69 2.49 0.84 3.54 1.02 -1.26 -5.00 119.74 118.69 2k0f s LYS 71 Ca 0.63 -1.14 -0.12 0.00 0.02 0.00 0.00 55.97 55.36 2k0f s LYS 71 Cb -0.27 -2.37 0.10 0.00 -0.52 0.00 0.00 37.83 34.76 2k0f s LYS 71 CO 0.33 0.43 1.10 -1.64 -0.92 0.00 0.00 175.35 174.66 2k0f s MET 72 N -3.22 1.73 0.00 1.68 -1.94 -1.26 -5.07 119.30 111.21 2k0f s MET 72 Ca 0.29 0.62 0.00 0.00 -1.71 0.00 0.00 55.69 54.89 2k0f s MET 72 Cb -0.09 -1.88 0.00 0.00 2.01 0.00 0.00 34.83 34.88 2k0f s MET 72 CO 0.20 -1.86 0.03 1.63 -0.01 0.00 0.00 175.02 175.00 2k0f n LYS 73 N -3.60 0.00 0.00 2.03 5.02 -1.26 -4.96 118.16 115.39 2k0f n LYS 73 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2k0f n LYS 73 Cb 0.56 -0.33 0.00 0.00 -0.02 0.00 0.00 35.03 35.24 2k0f n LYS 73 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2k0f n ASP 74 N -0.28 0.00 -0.29 4.39 8.00 -1.26 -4.91 116.55 122.20 2k0f n ASP 74 Ca 0.00 0.00 0.34 0.00 0.71 0.00 0.00 54.79 55.84 2k0f n ASP 74 Cb 0.00 0.00 0.74 0.00 -0.02 0.00 0.00 41.12 41.84 2k0f n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2k0f h THR 75 N 0.00 0.38 -0.10 -3.53 1.35 -2.04 -3.12 112.91 105.86 2k0f h THR 75 Ca 0.00 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.89 2k0f h THR 75 Cb 0.00 0.41 -0.00 0.00 -1.73 0.00 0.00 68.15 66.82 2k0f h THR 75 CO 0.00 0.00 0.20 0.44 -0.25 0.00 0.00 175.52 175.91 2k0f h ASP 76 N 0.00 0.00 0.76 5.36 5.19 -1.96 -2.01 116.42 123.77 2k0f h ASP 76 Ca 0.53 0.00 -0.05 0.00 -0.62 0.00 0.00 57.03 56.89 2k0f h ASP 76 Cb 2.21 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 41.71 2k0f h ASP 76 CO -0.01 0.00 -0.26 0.28 -3.12 0.00 0.00 179.24 176.14 2k0f h SER 77 N 0.00 0.00 -0.22 6.45 0.02 -1.91 -0.58 113.55 117.30 2k0f h SER 77 Ca 0.05 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.88 2k0f h SER 77 Cb 0.45 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.99 2k0f h SER 77 CO -0.00 0.26 -0.33 -0.08 -1.14 0.00 0.00 176.83 175.54 2k0f h GLU 78 N 0.00 0.61 -0.34 3.45 4.81 -1.64 -3.31 114.58 118.16 2k0f h GLU 78 Ca -0.00 -0.36 -0.01 0.00 -0.13 0.00 0.00 59.36 58.86 2k0f h GLU 78 Cb 0.71 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 2k0f h GLU 78 CO 0.03 0.97 0.19 1.49 -0.73 0.00 0.00 179.01 180.96 2k0f h GLU 79 N 0.30 0.46 -0.25 1.92 4.81 -1.17 -1.82 114.58 118.83 2k0f h GLU 79 Ca 0.02 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.17 2k0f h GLU 79 Cb 0.91 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 2k0f h GLU 79 CO 0.08 0.34 -0.05 1.49 -0.73 0.00 0.00 179.01 180.14 2k0f h GLU 80 N 0.47 0.38 0.10 1.92 4.81 -1.32 0.41 114.58 121.34 2k0f h GLU 80 Ca 0.12 -0.08 -0.21 0.00 -0.13 0.00 0.00 59.36 59.06 2k0f h GLU 80 Cb 0.01 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2k0f h GLU 80 CO -0.02 0.45 -1.04 0.82 -0.73 0.00 0.00 179.01 178.49 2k0f h ILE 81 N 0.37 1.27 -0.84 2.32 1.08 -1.49 -2.21 117.51 118.00 2k0f h ILE 81 Ca 0.08 -2.42 0.21 0.00 -0.39 0.00 0.00 64.86 62.35 2k0f h ILE 81 Cb 0.32 2.90 -0.14 0.00 -3.07 0.00 0.00 36.82 36.84 2k0f h ILE 81 CO 0.01 0.66 0.14 0.03 -0.69 0.00 0.00 178.15 178.30 2k0f h ARG 82 N -0.48 0.15 -0.27 2.37 2.47 -1.35 0.23 114.38 117.51 2k0f h ARG 82 Ca -0.22 -0.01 -0.08 0.00 -1.26 0.00 0.00 59.98 58.41 2k0f h ARG 82 Cb 1.59 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.86 2k0f h ARG 82 CO 0.05 0.10 -0.14 0.93 0.56 0.00 0.00 179.97 181.47 2k0f h GLU 83 N 0.16 0.57 -0.74 0.04 4.39 -0.98 -2.09 114.58 115.93 2k0f h GLU 83 Ca 0.50 -0.26 -0.04 0.00 0.34 0.00 0.00 59.36 59.90 2k0f h GLU 83 Cb 0.97 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.58 2k0f h GLU 83 CO -0.68 0.82 0.29 0.00 -1.16 0.00 0.00 179.01 178.28 2k0f h ALA 84 N 0.73 1.11 -0.59 3.43 0.00 -0.62 -2.77 119.26 120.55 2k0f h ALA 84 Ca 0.06 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 2k0f h ALA 84 Cb 0.66 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2k0f h ALA 84 CO 0.04 0.63 -0.03 0.35 0.00 0.00 0.00 179.25 180.24 2k0f h PHE 85 N 1.08 1.17 0.00 0.00 3.57 -0.61 -3.24 116.94 118.91 2k0f h PHE 85 Ca 0.25 -0.21 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2k0f h PHE 85 Cb 0.22 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.66 2k0f h PHE 85 CO 0.02 1.04 0.00 -2.13 -2.23 0.00 0.00 178.31 175.01 2k0f n ARG 86 N -4.17 0.21 0.08 1.11 0.63 -0.79 -1.29 116.66 112.45 2k0f n ARG 86 Ca 0.03 0.37 -0.10 0.00 -0.92 0.00 0.00 57.85 57.22 2k0f n ARG 86 Cb 0.37 -1.86 -0.05 0.00 0.45 0.00 0.00 32.46 31.37 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2k0f h VAL 87 N 0.00 1.50 0.03 5.15 2.07 -1.57 -3.20 116.25 120.22 2k0f h VAL 87 Ca 0.00 -2.75 -0.00 0.00 0.82 0.00 0.00 66.70 64.77 2k0f h VAL 87 Cb 0.47 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 2k0f h VAL 87 CO 0.00 0.80 -0.01 -0.26 0.02 0.00 0.00 177.57 178.12 2k0f h PHE 88 N 0.11 -0.03 0.00 1.57 0.04 -1.56 -3.37 116.94 113.69 2k0f h PHE 88 Ca -0.06 -0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.14 2k0f h PHE 88 Cb 1.62 0.01 0.02 0.00 2.20 0.00 0.00 35.95 39.80 2k0f h PHE 88 CO 0.04 -0.02 3.07 -3.47 -0.60 0.00 0.00 178.31 177.33 2k0f n ASP 89 N -2.28 5.69 0.08 2.17 2.03 -0.41 -4.57 116.55 119.25 2k0f n ASP 89 Ca -0.00 -2.54 -0.05 0.00 0.52 0.00 0.00 54.79 52.71 2k0f n ASP 89 Cb 0.01 -1.35 -0.08 0.00 -0.72 0.00 0.00 41.12 38.98 2k0f n ASP 89 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2k0f h LYS 90 N 6.06 0.00 -0.29 -0.67 3.64 -1.73 -3.09 116.57 120.50 2k0f h LYS 90 Ca 0.63 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.90 2k0f h LYS 90 Cb 0.35 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 2k0f h LYS 90 CO 1.71 0.91 -0.28 0.38 -2.27 0.00 0.00 179.45 179.90 2k0f h ASP 91 N 0.00 0.60 -0.02 4.20 3.04 -1.89 -3.48 116.42 118.88 2k0f h ASP 91 Ca -0.01 -0.22 0.00 0.00 -3.24 0.00 0.00 57.03 53.56 2k0f h ASP 91 Cb 1.68 -0.16 0.00 0.00 -1.04 0.00 0.00 39.33 39.81 2k0f h ASP 91 CO 0.12 0.86 0.00 0.61 -2.04 0.00 0.00 179.24 178.78 2k0f n GLY 92 N -0.25 1.69 0.05 7.15 0.00 -1.17 -4.98 105.19 107.68 2k0f n GLY 92 Ca -0.01 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 0.19 0.46 0.00 1.61 6.94 -1.26 -4.99 115.26 118.20 2k0f n ASN 93 Ca 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 54.58 54.55 2k0f n ASN 93 Cb 0.05 1.18 0.00 0.00 -2.36 0.00 0.00 39.78 38.65 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 94 N 1.28 1.14 3.28 4.83 0.00 -1.26 -5.09 105.19 109.36 2k0f n GLY 94 Ca -0.01 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.39 -0.25 1.61 1.51 -1.26 -3.89 117.35 112.68 2k0f s TYR 95 Ca 0.00 0.92 -0.20 0.00 -1.01 0.00 0.00 57.07 56.78 2k0f s TYR 95 Cb 0.00 0.14 -0.02 0.00 -0.11 0.00 0.00 41.96 41.97 2k0f s TYR 95 CO 0.00 -0.24 0.59 0.42 -1.11 0.00 0.00 175.55 175.21 2k0f s ILE 96 N -0.06 5.02 0.53 2.71 1.01 0.10 -4.68 121.20 125.84 2k0f s ILE 96 Ca -0.02 1.06 -0.02 0.00 0.00 0.00 0.00 60.65 61.66 2k0f s ILE 96 Cb -0.03 -3.90 0.01 0.00 0.01 0.00 0.00 42.46 38.55 2k0f s ILE 96 CO 0.01 0.06 0.78 -0.94 0.00 0.00 0.00 174.94 174.85 2k0f s SER 97 N 1.45 5.60 0.39 3.58 1.04 -1.26 -2.86 113.70 121.64 2k0f s SER 97 Ca 0.25 0.38 0.11 0.00 0.48 0.00 0.00 55.95 57.17 2k0f s SER 97 Cb -0.16 -1.45 0.91 0.00 0.10 0.00 0.00 66.02 65.42 2k0f s SER 97 CO 0.09 -0.94 1.92 0.00 0.98 0.00 0.00 173.24 175.28 2k0f h ALA 98 N 0.10 1.93 0.00 5.32 0.00 -1.97 -2.82 119.26 121.83 2k0f h ALA 98 Ca -0.45 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2k0f h ALA 98 Cb 1.26 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2k0f h ALA 98 CO 0.58 -0.11 -0.00 0.00 0.00 0.00 0.00 179.25 179.71 2k0f h ALA 99 N 1.63 -0.01 -0.14 0.00 0.00 -1.99 -1.54 119.26 117.22 2k0f h ALA 99 Ca 0.37 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.24 2k0f h ALA 99 Cb 0.65 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 2k0f h ALA 99 CO -0.14 -0.41 -0.36 0.93 0.00 0.00 0.00 179.25 179.27 2k0f h GLU 100 N -0.18 -0.42 -0.43 0.00 5.08 -1.86 -1.78 114.58 114.99 2k0f h GLU 100 Ca -0.00 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2k0f h GLU 100 Cb 0.18 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2k0f h GLU 100 CO 0.00 -0.28 0.28 1.25 -1.00 0.00 0.00 179.01 179.26 2k0f h LEU 101 N -0.43 0.48 0.05 1.33 5.85 -1.41 -2.47 115.31 118.71 2k0f h LEU 101 Ca 0.09 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 2k0f h LEU 101 Cb 0.58 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.49 2k0f h LEU 101 CO -0.37 0.35 -0.03 -0.09 -0.34 0.00 0.00 178.44 177.96 2k0f h ARG 102 N 0.57 -0.07 -0.44 1.25 2.43 -1.31 -2.60 114.38 114.22 2k0f h ARG 102 Ca 0.16 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 2k0f h ARG 102 Cb -0.06 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 2k0f h ARG 102 CO -0.04 0.04 0.21 0.45 -1.51 0.00 0.00 179.97 179.12 2k0f h HIS 103 N -0.16 0.63 0.21 2.20 3.86 -1.33 -2.26 115.15 118.30 2k0f h HIS 103 Ca -0.01 -0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 2k0f h HIS 103 Cb 0.14 -0.20 0.00 0.00 1.06 0.00 0.00 27.41 28.41 2k0f h HIS 103 CO -0.05 0.52 -0.10 0.28 0.86 0.00 0.00 177.93 179.44 2k0f h VAL 104 N 0.57 0.83 -0.85 2.45 2.07 -1.47 -1.38 116.25 118.46 2k0f h VAL 104 Ca 0.15 -0.15 0.16 0.00 0.82 0.00 0.00 66.70 67.68 2k0f h VAL 104 Cb 0.12 0.92 -0.10 0.00 -1.52 0.00 0.00 31.29 30.71 2k0f h VAL 104 CO -0.02 0.04 0.42 0.24 0.02 0.00 0.00 177.57 178.27 2k0f h MET 105 N -0.35 0.56 -0.33 1.57 2.07 -1.51 -1.71 114.93 115.22 2k0f h MET 105 Ca -0.03 -0.03 -0.04 0.00 -2.07 0.00 0.00 59.70 57.53 2k0f h MET 105 Cb 0.27 -0.13 -0.01 0.00 -1.87 0.00 0.00 31.60 29.86 2k0f h MET 105 CO 0.05 0.37 0.07 1.15 1.07 0.00 0.00 176.91 179.62 2k0f h THR 106 N 0.58 1.23 -0.22 2.22 2.02 -1.05 0.10 112.91 117.79 2k0f h THR 106 Ca 0.47 -0.79 -0.03 0.00 0.77 0.00 0.00 66.41 66.84 2k0f h THR 106 Cb 0.71 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 2k0f h THR 106 CO -0.39 0.26 0.00 0.78 0.37 0.00 0.00 175.52 176.55 2k0f h ASN 107 N 0.38 0.30 0.18 4.18 2.35 -1.15 -2.58 115.58 119.24 2k0f h ASN 107 Ca 0.10 -0.04 -0.12 0.00 -0.55 0.00 0.00 56.30 55.69 2k0f h ASN 107 Cb 0.33 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 2k0f h ASN 107 CO 0.00 0.35 -0.44 -0.07 -1.65 0.00 0.00 177.43 175.63 2k0f h LEU 108 N 0.32 0.34 0.00 1.61 3.38 -1.07 -3.41 115.31 116.48 2k0f h LEU 108 Ca 0.07 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2k0f h LEU 108 Cb 0.22 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2k0f h LEU 108 CO 0.00 0.74 0.00 0.61 0.09 0.00 0.00 178.44 179.88 2k0f n GLY 109 N -0.08 0.80 3.78 0.83 0.00 -0.64 -4.73 105.19 105.16 2k0f n GLY 109 Ca -0.02 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 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 3.22 -0.47 1.61 0.41 0.27 -4.86 118.70 118.88 2k0f s GLU 110 Ca 0.00 1.39 -0.04 0.00 -0.41 0.00 0.00 54.97 55.91 2k0f s GLU 110 Cb 0.00 -2.01 0.12 0.00 -1.78 0.00 0.00 34.13 30.47 2k0f s GLU 110 CO 0.00 -0.91 0.28 0.21 -0.49 0.00 0.00 175.26 174.34 2k0f s LYS 111 N -3.78 2.20 0.24 1.61 2.47 -1.26 -4.14 119.74 117.08 2k0f s LYS 111 Ca 0.67 -1.98 -0.12 0.00 -1.56 0.00 0.00 55.97 52.99 2k0f s LYS 111 Cb -0.19 -3.67 -0.08 0.00 -1.46 0.00 0.00 37.83 32.43 2k0f s LYS 111 CO 0.34 -1.11 0.60 -0.51 0.16 0.00 0.00 175.35 174.82 2k0f s LEU 112 N 0.89 4.17 0.43 5.43 1.43 -1.26 -5.12 118.68 124.65 2k0f s LEU 112 Ca 0.10 1.04 0.08 0.00 -1.03 0.00 0.00 54.13 54.32 2k0f s LEU 112 Cb -0.23 -3.72 0.01 0.00 0.03 0.00 0.00 46.19 42.28 2k0f s LEU 112 CO -0.04 -0.08 0.54 0.42 0.23 0.00 0.00 176.35 177.42 2k0f s THR 113 N -1.80 2.88 0.20 5.49 -4.23 -1.26 -5.00 115.64 111.91 2k0f s THR 113 Ca 0.48 -1.07 -0.11 0.00 -1.18 0.00 0.00 61.69 59.80 2k0f s THR 113 Cb -0.12 -2.96 0.11 0.00 1.34 0.00 0.00 72.50 70.88 2k0f s THR 113 CO 0.20 0.00 1.79 0.44 -0.54 0.00 0.00 174.62 176.51 2k0f h ASP 114 N 0.70 0.45 -0.74 3.99 3.32 -1.99 -2.34 116.42 119.81 2k0f h ASP 114 Ca -0.40 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.69 2k0f h ASP 114 Cb 1.28 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 40.74 2k0f h ASP 114 CO 0.47 0.30 0.47 -0.33 -1.72 0.00 0.00 179.24 178.44 2k0f h GLU 115 N 0.59 0.99 -0.10 3.56 3.07 -1.98 0.16 114.58 120.86 2k0f h GLU 115 Ca 0.27 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 59.04 2k0f h GLU 115 Cb 0.17 -0.22 -0.00 0.00 -0.84 0.00 0.00 28.75 27.86 2k0f h GLU 115 CO -0.18 0.67 0.03 1.49 -1.40 0.00 0.00 179.01 179.63 2k0f h GLU 116 N 1.01 0.16 -0.94 2.33 4.81 -1.86 -2.52 114.58 117.57 2k0f h GLU 116 Ca 0.27 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.49 2k0f h GLU 116 Cb -0.08 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.22 2k0f h GLU 116 CO -0.06 0.33 0.61 0.28 -0.73 0.00 0.00 179.01 179.45 2k0f h VAL 117 N -0.03 1.18 0.66 0.32 2.07 -1.33 -2.41 116.25 116.72 2k0f h VAL 117 Ca 0.03 -0.42 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 2k0f h VAL 117 Cb 0.23 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 29.87 2k0f h VAL 117 CO -0.00 0.22 -0.41 -0.78 0.02 0.00 0.00 177.57 176.62 2k0f h ASP 118 N 1.21 -1.03 -0.04 0.57 3.58 -0.63 -3.11 116.42 116.98 2k0f h ASP 118 Ca 0.36 0.06 0.03 0.00 0.42 0.00 0.00 57.03 57.90 2k0f h ASP 118 Cb -0.04 0.30 -0.04 0.00 1.72 0.00 0.00 39.33 41.27 2k0f h ASP 118 CO -0.11 -0.64 -0.18 -0.08 -2.88 0.00 0.00 179.24 175.36 2k0f h GLU 119 N -1.01 -0.26 -0.84 0.28 4.81 -1.37 -2.25 114.58 113.93 2k0f h GLU 119 Ca -0.08 0.02 0.18 0.00 -0.13 0.00 0.00 59.36 59.35 2k0f h GLU 119 Cb 0.82 0.06 -0.11 0.00 0.63 0.00 0.00 28.75 30.14 2k0f h GLU 119 CO 0.08 -0.17 0.36 1.98 -0.73 0.00 0.00 179.01 180.53 2k0f h MET 120 N -0.27 0.42 0.61 1.92 4.05 -1.53 0.28 114.93 120.41 2k0f h MET 120 Ca 0.07 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.43 2k0f h MET 120 Cb 0.36 -0.10 0.01 0.00 -0.80 0.00 0.00 31.60 31.07 2k0f h MET 120 CO -0.20 0.28 -0.29 0.82 0.23 0.00 0.00 176.91 177.75 2k0f h ILE 121 N 0.44 0.40 -0.78 1.77 2.04 -1.45 -2.52 117.51 117.41 2k0f h ILE 121 Ca 0.50 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.40 2k0f h ILE 121 Cb 0.86 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 37.29 2k0f h ILE 121 CO -0.47 0.00 0.51 0.03 0.00 0.00 0.00 178.15 178.22 2k0f h ARG 122 N -0.82 0.88 -0.60 2.37 3.08 -0.74 0.17 114.38 118.72 2k0f h ARG 122 Ca -0.08 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 2k0f h ARG 122 Cb 0.63 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 2k0f h ARG 122 CO 0.14 0.58 0.09 1.49 -1.07 0.00 0.00 179.97 181.21 2k0f h GLU 123 N 0.91 0.99 -0.03 0.04 4.81 -0.47 -3.33 114.58 117.51 2k0f h GLU 123 Ca 0.32 -0.27 -0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2k0f h GLU 123 Cb 0.12 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2k0f h GLU 123 CO -0.10 0.94 -0.10 0.00 -0.73 0.00 0.00 179.01 179.02 2k0f h ALA 124 N 1.01 0.05 -1.98 2.92 0.00 -0.94 -3.44 119.26 116.89 2k0f h ALA 124 Ca 0.18 -0.36 -0.64 0.00 0.00 0.00 0.00 54.91 54.10 2k0f h ALA 124 Cb 0.43 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.07 2k0f h ALA 124 CO 0.01 -0.06 0.34 0.34 0.00 0.00 0.00 179.25 179.88 2k0f s ASP 125 N -6.02 6.32 -0.13 0.00 2.15 -0.01 -4.88 116.67 114.10 2k0f s ASP 125 Ca -0.16 -0.44 0.06 0.00 0.43 0.00 0.00 52.55 52.44 2k0f s ASP 125 Cb 0.01 -2.37 -0.23 0.00 -0.30 0.00 0.00 42.92 40.03 2k0f s ASP 125 CO 0.71 -1.02 0.31 -0.38 -0.17 0.00 0.00 175.17 174.62 2k0f n ILE 126 N 6.00 1.60 0.00 4.11 5.41 -1.26 -4.40 119.36 130.82 2k0f n ILE 126 Ca -0.01 -0.73 -0.12 0.00 1.00 0.00 0.00 62.75 62.90 2k0f n ILE 126 Cb 0.47 -1.19 0.02 0.00 -0.71 0.00 0.00 39.64 38.22 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 0.02 0.68 0.00 4.38 2.03 -1.98 -3.48 116.42 118.07 2k0f h ASP 127 Ca -0.43 -0.40 0.00 0.00 -0.73 0.00 0.00 57.03 55.47 2k0f h ASP 127 Cb 2.05 -0.20 0.00 0.00 -0.83 0.00 0.00 39.33 40.35 2k0f h ASP 127 CO 0.04 1.14 0.00 0.61 -1.03 0.00 0.00 179.24 180.01 2k0f n GLY 128 N 0.43 0.62 0.03 7.15 0.00 -1.26 -5.02 105.19 107.14 2k0f n GLY 128 Ca -0.04 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 0.52 0.00 1.61 5.75 -1.26 -4.93 116.55 118.24 2k0f n ASP 129 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 2k0f n ASP 129 Cb 0.00 0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 2k0f n ASP 129 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k0f n GLY 130 N 1.43 0.80 3.23 6.12 0.00 -1.26 -4.97 105.19 110.54 2k0f n GLY 130 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.15 3.18 -0.32 1.61 -0.21 -1.26 -4.73 119.66 117.78 2k0f s GLN 131 Ca 0.00 -0.75 -0.29 0.00 0.02 0.00 0.00 55.36 54.34 2k0f s GLN 131 Cb 0.00 -2.67 0.01 0.00 1.00 0.00 0.00 33.01 31.34 2k0f s GLN 131 CO 0.00 -0.08 1.22 0.08 -2.12 0.00 0.00 175.29 174.39 2k0f s VAL 132 N 1.06 4.25 0.00 1.09 1.01 -1.14 -4.82 120.40 121.85 2k0f s VAL 132 Ca -0.01 1.41 0.00 0.00 0.00 0.00 0.00 61.98 63.38 2k0f s VAL 132 Cb -0.15 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.97 2k0f s VAL 132 CO -0.04 -0.52 0.00 -0.46 0.00 0.00 0.00 175.10 174.08 2k0f n ASN 133 N 7.43 0.00 0.05 3.32 0.23 -1.26 0.03 115.26 125.07 2k0f n ASN 133 Ca 0.14 -0.08 -0.20 0.00 -0.53 0.00 0.00 54.58 53.91 2k0f n ASN 133 Cb 0.47 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 38.02 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 -0.07 0.56 -0.83 -2.53 3.20 -1.96 -2.16 116.97 113.17 2k0f h TYR 134 Ca 0.00 -0.41 0.07 0.00 3.14 0.00 0.00 58.73 61.54 2k0f h TYR 134 Cb 0.00 -0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.18 2k0f h TYR 134 CO 0.00 1.32 0.50 1.49 -1.64 0.00 0.00 178.16 179.83 2k0f h GLU 135 N -0.36 0.86 0.00 1.82 4.57 -1.95 0.23 114.58 119.75 2k0f h GLU 135 Ca -0.14 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 57.94 2k0f h GLU 135 Cb 1.66 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 30.05 2k0f h GLU 135 CO 0.16 0.57 -0.19 0.93 -1.18 0.00 0.00 179.01 179.29 2k0f h GLU 136 N 0.89 0.00 0.02 1.92 5.08 -1.94 -0.27 114.58 120.27 2k0f h GLU 136 Ca 0.38 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.71 2k0f h GLU 136 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2k0f h GLU 136 CO -0.20 0.19 -0.13 0.35 -1.00 0.00 0.00 179.01 178.22 2k0f h PHE 137 N 0.00 0.09 -0.17 4.33 3.57 -0.65 -2.58 116.94 121.53 2k0f h PHE 137 Ca -0.00 -0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.48 2k0f h PHE 137 Cb 0.48 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.16 2k0f h PHE 137 CO 0.00 1.02 -0.15 0.28 -2.23 0.00 0.00 178.31 177.22 2k0f h VAL 138 N -0.86 0.58 -0.93 1.41 2.07 -0.54 0.92 116.25 118.91 2k0f h VAL 138 Ca -0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.50 2k0f h VAL 138 Cb 1.07 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 2k0f h VAL 138 CO 0.02 0.00 0.60 -0.61 0.02 0.00 0.00 177.57 177.61 2k0f h GLN 139 N -0.17 1.23 0.00 1.57 4.15 -1.16 -2.51 115.11 118.23 2k0f h GLN 139 Ca 0.11 -0.08 -0.10 0.00 0.77 0.00 0.00 58.65 59.34 2k0f h GLN 139 Cb 0.33 -0.27 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 2k0f h GLN 139 CO -0.27 0.83 -0.49 1.98 -1.93 0.00 0.00 178.83 178.94 2k0f h MET 140 N 1.27 0.00 0.00 1.69 4.05 -1.00 -3.27 114.93 117.66 2k0f h MET 140 Ca 0.34 0.00 -0.23 0.00 -0.28 0.00 0.00 59.70 59.53 2k0f h MET 140 Cb -0.12 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.64 2k0f h MET 140 CO -0.07 0.49 -1.58 -1.33 0.23 0.00 0.00 176.91 174.65 2k0f n MET 141 N -3.82 0.63 0.00 0.39 2.81 0.27 -5.06 117.12 112.34 2k0f n MET 141 Ca -0.01 0.24 0.09 0.00 -1.81 0.00 0.00 57.70 56.21 2k0f n MET 141 Cb 0.53 -1.79 0.50 0.00 -0.71 0.00 0.00 33.22 31.76 2k0f n MET 141 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73