#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k0f n GLU 2 N 0.00 0.13 0.17 1.09 4.71 -1.26 -2.83 120.64 122.66 2k0f n GLU 2 Ca 0.00 0.32 0.06 0.00 -0.01 0.00 0.00 57.16 57.52 2k0f n GLU 2 Cb 0.00 -1.72 0.19 0.00 -1.01 0.00 0.00 31.44 28.90 2k0f n GLU 2 CO 0.00 0.00 0.00 0.93 0.09 0.00 0.00 177.13 178.15 2k0f h GLU 3 N 0.00 0.00 0.00 3.49 4.39 -2.05 -1.99 114.58 118.42 2k0f h GLU 3 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2k0f h GLU 3 Cb 0.38 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2k0f h GLU 3 CO 0.00 0.38 -0.87 0.37 -1.16 0.00 0.00 179.01 177.72 2k0f h GLN 4 N 0.00 0.00 0.83 2.33 4.15 -1.96 -3.20 115.11 117.27 2k0f h GLN 4 Ca -0.00 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 2k0f h GLN 4 Cb 1.12 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.82 2k0f h GLN 4 CO 0.05 0.08 -0.40 0.82 -1.93 0.00 0.00 178.83 177.44 2k0f h ILE 5 N 0.00 0.17 -0.96 2.39 1.08 -1.40 -0.17 117.51 118.62 2k0f h ILE 5 Ca -0.03 -0.03 0.06 0.00 -0.39 0.00 0.00 64.86 64.47 2k0f h ILE 5 Cb 1.12 0.17 -0.06 0.00 -3.07 0.00 0.00 36.82 34.98 2k0f h ILE 5 CO 0.01 0.00 0.62 0.00 -0.69 0.00 0.00 178.15 178.10 2k0f h ALA 6 N -0.98 1.44 -0.36 1.87 0.00 -1.53 0.18 119.26 119.87 2k0f h ALA 6 Ca -0.11 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 2k0f h ALA 6 Cb 0.86 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2k0f h ALA 6 CO 0.19 0.43 -0.34 0.93 0.00 0.00 0.00 179.25 180.46 2k0f h GLU 7 N 1.13 0.82 0.00 0.00 5.08 -1.62 -2.82 114.58 117.17 2k0f h GLU 7 Ca 0.40 -0.40 -0.08 0.00 -1.00 0.00 0.00 59.36 58.29 2k0f h GLU 7 Cb 0.14 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2k0f h GLU 7 CO -0.15 1.04 -0.36 0.74 -1.00 0.00 0.00 179.01 179.28 2k0f h PHE 8 N 0.69 0.00 -0.01 4.33 0.04 -0.06 -2.82 116.94 119.12 2k0f h PHE 8 Ca 0.07 0.00 -0.26 0.00 2.80 0.00 0.00 57.97 60.58 2k0f h PHE 8 Cb 0.90 0.00 0.02 0.00 2.20 0.00 0.00 35.95 39.07 2k0f h PHE 8 CO 0.05 0.36 -1.02 -0.22 -0.60 0.00 0.00 178.31 176.88 2k0f h LYS 9 N 0.00 0.68 0.00 1.51 3.64 -0.65 -0.80 116.57 120.96 2k0f h LYS 9 Ca -0.00 -0.73 -0.05 0.00 -1.27 0.00 0.00 60.65 58.60 2k0f h LYS 9 Cb 1.16 0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 33.17 2k0f h LYS 9 CO 0.05 1.31 -0.23 0.93 -2.27 0.00 0.00 179.45 179.24 2k0f h GLU 10 N 0.39 0.00 -0.03 1.90 4.39 -1.51 -1.30 114.58 118.42 2k0f h GLU 10 Ca -0.12 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.39 2k0f h GLU 10 Cb 1.67 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.32 2k0f h GLU 10 CO 0.20 0.23 -0.80 0.00 -1.16 0.00 0.00 179.01 177.48 2k0f h ALA 11 N 1.77 0.57 0.03 3.43 0.00 -1.32 -3.14 119.26 120.60 2k0f h ALA 11 Ca -0.00 -0.66 0.01 0.00 0.00 0.00 0.00 54.91 54.26 2k0f h ALA 11 Cb 0.61 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2k0f h ALA 11 CO 0.03 0.83 -0.09 0.35 0.00 0.00 0.00 179.25 180.36 2k0f h PHE 12 N 0.18 -0.24 0.00 0.00 3.04 -0.85 -3.19 116.94 115.88 2k0f h PHE 12 Ca -0.04 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.92 2k0f h PHE 12 Cb 1.40 0.10 0.00 0.00 2.56 0.00 0.00 35.95 40.01 2k0f h PHE 12 CO 0.04 -0.14 0.00 0.45 -2.02 0.00 0.00 178.31 176.63 2k0f n SER 13 N -5.22 0.38 -0.13 0.41 2.88 -0.52 -0.56 113.62 110.86 2k0f n SER 13 Ca -0.06 0.66 -0.09 0.00 -1.33 0.00 0.00 58.87 58.05 2k0f n SER 13 Cb 0.14 -0.71 -0.01 0.00 -0.75 0.00 0.00 64.21 62.88 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 0.55 0.00 2.46 7.12 -1.53 -3.36 115.31 120.55 2k0f h LEU 14 Ca 0.00 -0.17 -0.00 0.00 0.13 0.00 0.00 57.88 57.84 2k0f h LEU 14 Cb 0.06 -0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 40.05 2k0f h LEU 14 CO 0.00 0.57 -0.02 -0.26 -0.13 0.00 0.00 178.44 178.60 2k0f h PHE 15 N 0.50 0.00 -2.94 1.25 0.04 -1.00 -3.44 116.94 111.34 2k0f h PHE 15 Ca 0.13 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.36 2k0f h PHE 15 Cb 0.19 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.33 2k0f h PHE 15 CO -0.00 0.42 0.81 0.34 -0.60 0.00 0.00 178.31 179.28 2k0f s ASP 16 N -5.84 6.90 -0.11 2.17 2.15 -1.10 -4.58 116.67 116.26 2k0f s ASP 16 Ca -0.08 2.03 0.17 0.00 0.43 0.00 0.00 52.55 55.10 2k0f s ASP 16 Cb -0.01 -2.56 -0.24 0.00 -0.30 0.00 0.00 42.92 39.81 2k0f s ASP 16 CO 0.29 -0.70 0.37 0.29 -0.17 0.00 0.00 175.17 175.25 2k0f n LYS 17 N 5.43 0.66 0.10 4.34 4.76 -1.26 -4.28 118.16 127.92 2k0f n LYS 17 Ca 0.13 0.08 -0.11 0.00 -2.87 0.00 0.00 58.31 55.54 2k0f n LYS 17 Cb 0.44 -1.63 -0.07 0.00 -1.84 0.00 0.00 35.03 31.93 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 -0.28 -0.67 4.39 3.32 -1.91 -3.49 116.42 117.78 2k0f h ASP 18 Ca -0.38 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.43 2k0f h ASP 18 Cb 1.98 0.07 0.00 0.00 0.22 0.00 0.00 39.33 41.60 2k0f h ASP 18 CO 0.04 0.21 0.00 0.61 -1.72 0.00 0.00 179.24 178.39 2k0f n GLY 19 N 0.37 0.93 0.07 2.75 0.00 -1.26 -5.03 105.19 103.01 2k0f n GLY 19 Ca -0.08 -0.41 -0.03 0.00 0.00 0.00 0.00 46.02 45.50 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 0.80 0.41 0.00 1.61 5.75 -1.26 -5.00 116.55 118.87 2k0f n ASP 20 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2k0f n ASP 20 Cb 0.31 1.25 0.00 0.00 -1.03 0.00 0.00 41.12 41.65 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 1.70 1.18 3.06 6.12 0.00 -1.26 -5.09 105.19 110.89 2k0f n GLY 21 Ca -0.22 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 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 0.83 -0.20 2.61 -4.23 -1.26 -3.46 115.64 107.93 2k0f s THR 22 Ca 0.00 -0.54 -0.06 0.00 -1.18 0.00 0.00 61.69 59.91 2k0f s THR 22 Cb 0.00 -0.71 -0.03 0.00 1.34 0.00 0.00 72.50 73.10 2k0f s THR 22 CO 0.00 0.17 0.03 -0.63 -0.54 0.00 0.00 174.62 173.65 2k0f s ILE 23 N -0.37 4.29 0.87 2.99 1.01 -0.76 -4.67 121.20 124.55 2k0f s ILE 23 Ca 0.03 -0.20 -0.12 0.00 0.00 0.00 0.00 60.65 60.36 2k0f s ILE 23 Cb -0.05 -2.94 0.16 0.00 0.01 0.00 0.00 42.46 39.64 2k0f s ILE 23 CO -0.00 0.43 1.21 0.42 0.00 0.00 0.00 174.94 177.00 2k0f s THR 24 N 0.80 2.05 0.10 2.92 -4.23 -1.26 -2.97 115.64 113.05 2k0f s THR 24 Ca 0.02 -0.13 -0.24 0.00 -1.18 0.00 0.00 61.69 60.16 2k0f s THR 24 Cb -0.14 -2.92 -0.12 0.00 1.34 0.00 0.00 72.50 70.66 2k0f s THR 24 CO 0.02 0.00 1.71 0.71 -0.54 0.00 0.00 174.62 176.53 2k0f h THR 25 N -1.25 0.85 -0.80 3.99 1.35 -1.90 -1.85 112.91 113.30 2k0f h THR 25 Ca -0.43 0.00 0.15 0.00 -0.55 0.00 0.00 66.41 65.58 2k0f h THR 25 Cb 1.26 0.85 -0.06 0.00 -1.73 0.00 0.00 68.15 68.48 2k0f h THR 25 CO 0.45 0.00 0.53 0.11 -0.25 0.00 0.00 175.52 176.36 2k0f h LYS 26 N -0.12 0.47 -0.03 4.72 1.57 -1.97 0.31 116.57 121.52 2k0f h LYS 26 Ca 0.02 -0.03 -0.23 0.00 -1.87 0.00 0.00 60.65 58.53 2k0f h LYS 26 Cb 0.14 -0.11 0.02 0.00 0.08 0.00 0.00 32.23 32.36 2k0f h LYS 26 CO -0.04 0.31 -0.89 0.93 -0.57 0.00 0.00 179.45 179.18 2k0f h GLU 27 N 0.48 0.67 -0.03 3.15 5.08 -1.82 -2.96 114.58 119.15 2k0f h GLU 27 Ca 0.39 -0.67 -0.20 0.00 -1.00 0.00 0.00 59.36 57.89 2k0f h GLU 27 Cb 0.83 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 2k0f h GLU 27 CO -0.14 1.27 -0.83 1.25 -1.00 0.00 0.00 179.01 179.56 2k0f h LEU 28 N 0.33 0.41 -0.16 1.33 5.85 -0.95 -3.26 115.31 118.86 2k0f h LEU 28 Ca -0.10 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 2k0f h LEU 28 Cb 1.55 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.45 2k0f h LEU 28 CO 0.18 1.07 0.05 1.23 -0.34 0.00 0.00 178.44 180.62 2k0f h GLY 29 N 1.46 0.27 1.60 3.75 0.00 -0.39 -2.38 103.07 107.39 2k0f h GLY 29 Ca -0.05 -0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.13 2k0f h GLY 29 CO 0.14 0.15 0.25 0.00 0.00 0.00 0.00 176.54 177.09 2k0f h THR 30 N 0.07 1.08 0.43 4.70 1.03 -1.61 -0.41 112.91 118.21 2k0f h THR 30 Ca 0.05 -0.17 -0.02 0.00 -0.01 0.00 0.00 66.41 66.26 2k0f h THR 30 Cb 0.24 0.55 0.00 0.00 -1.07 0.00 0.00 68.15 67.87 2k0f h THR 30 CO -0.00 0.09 -0.21 0.58 -0.01 0.00 0.00 175.52 175.97 2k0f h VAL 31 N 0.49 0.30 -0.65 0.00 2.07 -1.48 -0.96 116.25 116.03 2k0f h VAL 31 Ca 0.14 -0.59 0.03 0.00 0.82 0.00 0.00 66.70 67.10 2k0f h VAL 31 Cb -0.01 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 2k0f h VAL 31 CO -0.03 0.06 0.43 0.24 0.02 0.00 0.00 177.57 178.29 2k0f h MET 32 N -1.04 0.76 -0.02 1.57 2.86 -1.34 -1.16 114.93 116.56 2k0f h MET 32 Ca -0.06 -0.05 -0.24 0.00 -2.06 0.00 0.00 59.70 57.30 2k0f h MET 32 Cb 0.54 -0.17 0.01 0.00 0.06 0.00 0.00 31.60 32.04 2k0f h MET 32 CO 0.10 0.51 -0.95 -0.09 1.06 0.00 0.00 176.91 177.53 2k0f h ARG 33 N 0.79 0.57 0.00 1.72 1.12 -0.83 0.80 114.38 118.55 2k0f h ARG 33 Ca 0.25 -0.58 0.00 0.00 -1.11 0.00 0.00 59.98 58.54 2k0f h ARG 33 Cb 0.04 0.16 0.00 0.00 -0.01 0.00 0.00 29.97 30.16 2k0f h ARG 33 CO -0.07 1.20 0.00 0.43 -3.11 0.00 0.00 179.97 178.42 2k0f n SER 34 N -3.82 0.00 0.00 -3.80 7.64 -0.36 -2.06 113.62 111.21 2k0f n SER 34 Ca -0.08 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.09 2k0f n SER 34 Cb 0.84 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 2k0f n SER 34 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2k0f n LEU 35 N -1.40 0.07 0.00 -3.43 7.94 -0.53 -5.00 117.00 114.64 2k0f n LEU 35 Ca 0.06 0.59 0.00 0.00 -1.11 0.00 0.00 56.01 55.55 2k0f n LEU 35 Cb 0.16 -0.49 0.00 0.00 0.53 0.00 0.00 43.42 43.63 2k0f n LEU 35 CO 0.14 -0.49 0.00 0.61 -1.11 0.00 0.00 177.39 176.54 2k0f n GLY 36 N 1.40 0.00 2.71 -3.96 0.00 -0.33 -5.11 105.19 99.90 2k0f n GLY 36 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.06 -0.36 1.61 2.00 0.13 -4.93 119.66 118.05 2k0f s GLN 37 Ca 0.00 0.42 -0.12 0.00 -2.00 0.00 0.00 55.36 53.66 2k0f s GLN 37 Cb 0.00 -0.46 0.01 0.00 0.80 0.00 0.00 33.01 33.36 2k0f s GLN 37 CO 0.00 -0.32 0.22 1.21 -0.50 0.00 0.00 175.29 175.90 2k0f s ASN 38 N 2.19 5.85 0.82 6.67 2.47 -1.26 -2.64 114.94 129.03 2k0f s ASN 38 Ca 0.05 -0.72 -0.12 0.00 0.42 0.00 0.00 52.86 52.49 2k0f s ASN 38 Cb -0.12 -2.08 0.08 0.00 -1.45 0.00 0.00 41.25 37.69 2k0f s ASN 38 CO -0.04 -0.32 1.10 -2.16 -3.72 0.00 0.00 177.10 171.97 2k0f s PRO 39 N 1.64 1.93 0.85 0.43 0.04 -1.26 -5.07 135.00 133.55 2k0f s PRO 39 Ca 0.04 0.60 -0.11 0.00 0.04 0.00 0.00 61.00 61.57 2k0f s PRO 39 Cb -0.18 -1.90 0.10 0.00 0.04 0.00 0.00 34.50 32.55 2k0f s PRO 39 CO 0.08 -1.72 1.09 0.95 0.04 0.00 0.00 177.00 177.44 2k0f s THR 40 N -3.16 2.91 0.48 1.26 -4.23 -1.26 -4.85 115.64 106.78 2k0f s THR 40 Ca 0.61 0.29 0.14 0.00 -1.18 0.00 0.00 61.69 61.55 2k0f s THR 40 Cb -0.15 -2.85 0.24 0.00 1.34 0.00 0.00 72.50 71.09 2k0f s THR 40 CO 0.54 -0.38 2.08 -0.33 -0.54 0.00 0.00 174.62 175.99 2k0f h GLU 41 N -1.35 0.12 0.17 3.99 5.08 -1.99 -1.87 114.58 118.72 2k0f h GLU 41 Ca -0.48 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 57.89 2k0f h GLU 41 Cb 1.27 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.45 2k0f h GLU 41 CO 0.55 0.13 -0.45 0.00 -1.00 0.00 0.00 179.01 178.25 2k0f h ALA 42 N 1.89 -0.83 -0.94 3.43 0.00 -2.01 -3.16 119.26 117.65 2k0f h ALA 42 Ca 0.03 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2k0f h ALA 42 Cb 0.08 0.74 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 2k0f h ALA 42 CO 0.00 -1.03 0.62 0.93 0.00 0.00 0.00 179.25 179.77 2k0f h GLU 43 N -0.71 1.22 -0.17 0.00 5.08 -1.84 -2.43 114.58 115.72 2k0f h GLU 43 Ca 0.01 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 2k0f h GLU 43 Cb 0.72 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2k0f h GLU 43 CO -0.23 0.81 -0.27 1.25 -1.00 0.00 0.00 179.01 179.56 2k0f h LEU 44 N 1.25 0.32 0.04 1.33 5.85 -1.34 -1.20 115.31 121.57 2k0f h LEU 44 Ca 0.35 -0.11 -0.27 0.00 0.84 0.00 0.00 57.88 58.69 2k0f h LEU 44 Cb -0.11 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 40.85 2k0f h LEU 44 CO -0.08 0.60 -1.17 1.56 -0.34 0.00 0.00 178.44 179.00 2k0f h GLN 45 N 0.29 0.44 -0.06 1.25 4.20 -1.45 -3.06 115.11 116.72 2k0f h GLN 45 Ca 0.04 -0.61 -0.10 0.00 0.06 0.00 0.00 58.65 58.05 2k0f h GLN 45 Cb 0.64 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 2k0f h GLN 45 CO 0.05 1.25 -0.41 0.22 -0.67 0.00 0.00 178.83 179.27 2k0f h ASP 46 N 0.19 0.14 0.74 1.46 3.58 -0.92 0.28 116.42 121.89 2k0f h ASP 46 Ca -0.14 -0.06 -0.04 0.00 0.42 0.00 0.00 57.03 57.21 2k0f h ASP 46 Cb 1.85 -0.04 0.01 0.00 1.72 0.00 0.00 39.33 42.87 2k0f h ASP 46 CO 0.21 0.54 -0.36 -0.03 -2.88 0.00 0.00 179.24 176.72 2k0f h MET 47 N 0.11 -0.96 -0.23 0.28 4.05 -1.27 -2.81 114.93 114.10 2k0f h MET 47 Ca 0.01 0.07 0.05 0.00 -0.28 0.00 0.00 59.70 59.54 2k0f h MET 47 Cb 0.78 0.22 -0.05 0.00 -0.80 0.00 0.00 31.60 31.75 2k0f h MET 47 CO 0.06 -0.62 -0.08 0.82 0.23 0.00 0.00 176.91 177.32 2k0f h ILE 48 N -1.14 0.72 -0.49 1.77 1.08 -1.36 -3.16 117.51 114.93 2k0f h ILE 48 Ca -0.10 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.51 2k0f h ILE 48 Cb 0.78 0.72 -0.02 0.00 -3.07 0.00 0.00 36.82 35.23 2k0f h ILE 48 CO 0.17 0.00 0.36 0.78 -0.69 0.00 0.00 178.15 178.76 2k0f h ASN 49 N -0.03 0.00 -0.76 1.72 2.35 -0.49 0.10 115.58 118.47 2k0f h ASN 49 Ca 0.12 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.90 2k0f h ASN 49 Cb 0.21 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.53 2k0f h ASN 49 CO -0.26 0.00 0.48 -0.08 -1.65 0.00 0.00 177.43 175.93 2k0f h GLU 50 N 0.00 0.91 0.00 0.81 4.57 -1.46 -3.13 114.58 116.29 2k0f h GLU 50 Ca 0.23 -0.05 -0.29 0.00 -1.18 0.00 0.00 59.36 58.07 2k0f h GLU 50 Cb 0.94 -0.21 -0.05 0.00 -0.16 0.00 0.00 28.75 29.28 2k0f h GLU 50 CO -0.00 0.60 -1.68 0.28 -1.18 0.00 0.00 179.01 177.04 2k0f h VAL 51 N 0.94 0.89 -1.75 0.32 2.07 -1.11 -3.38 116.25 114.23 2k0f h VAL 51 Ca 0.31 -2.73 -0.76 0.00 0.82 0.00 0.00 66.70 64.34 2k0f h VAL 51 Cb 0.02 2.45 -0.17 0.00 -1.52 0.00 0.00 31.29 32.07 2k0f h VAL 51 CO -0.11 0.52 1.72 -0.67 0.02 0.00 0.00 177.57 179.05 2k0f n ASP 52 N -3.08 5.23 0.27 0.57 2.03 0.15 -4.61 116.55 117.11 2k0f n ASP 52 Ca -0.16 -3.09 0.16 0.00 0.52 0.00 0.00 54.79 52.21 2k0f n ASP 52 Cb 1.05 -1.49 0.58 0.00 -0.72 0.00 0.00 41.12 40.54 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 6.12 1.00 -0.03 -1.67 0.00 -1.75 -3.29 119.26 119.64 2k0f h ALA 53 Ca 0.36 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.24 2k0f h ALA 53 Cb 0.70 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2k0f h ALA 53 CO 1.49 0.01 -0.04 0.38 0.00 0.00 0.00 179.25 181.09 2k0f h ASP 54 N 0.00 0.09 0.00 0.00 2.03 -1.92 -3.48 116.42 113.13 2k0f h ASP 54 Ca -0.00 -0.50 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 2k0f h ASP 54 Cb 0.61 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.09 2k0f h ASP 54 CO 0.00 0.57 0.00 0.61 -1.03 0.00 0.00 179.24 179.39 2k0f n GLY 55 N 0.26 1.59 0.00 7.15 0.00 -1.24 -4.95 105.19 107.99 2k0f n GLY 55 Ca -0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 0.00 0.00 1.61 6.94 -1.26 -4.91 115.26 117.64 2k0f n ASN 56 Ca 0.00 -0.19 0.00 0.00 -0.02 0.00 0.00 54.58 54.37 2k0f n ASN 56 Cb 0.00 -0.24 0.00 0.00 -2.36 0.00 0.00 39.78 37.18 2k0f n ASN 56 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 57 N 0.85 0.40 3.13 4.83 0.00 -1.26 -5.06 105.19 108.08 2k0f n GLY 57 Ca 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 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 0.57 -0.25 2.61 -4.23 -1.26 -4.74 115.64 106.33 2k0f s THR 58 Ca 0.00 -1.75 -0.26 0.00 -1.18 0.00 0.00 61.69 58.50 2k0f s THR 58 Cb 0.00 -1.45 0.00 0.00 1.34 0.00 0.00 72.50 72.40 2k0f s THR 58 CO 0.00 -0.81 0.92 -0.51 -0.54 0.00 0.00 174.62 173.68 2k0f s ILE 59 N -3.27 4.75 0.62 2.99 2.07 -1.16 -4.57 121.20 122.63 2k0f s ILE 59 Ca 0.07 1.70 -0.02 0.00 -1.41 0.00 0.00 60.65 60.99 2k0f s ILE 59 Cb 0.03 -4.21 0.05 0.00 0.13 0.00 0.00 42.46 38.46 2k0f s ILE 59 CO -0.05 -0.17 0.88 -1.81 -1.91 0.00 0.00 174.94 171.88 2k0f s ASP 60 N 1.35 5.03 0.03 4.50 1.11 -1.26 -1.83 116.67 125.60 2k0f s ASP 60 Ca 0.39 0.14 -0.25 0.00 0.18 0.00 0.00 52.55 53.01 2k0f s ASP 60 Cb -0.15 -0.91 -0.18 0.00 1.07 0.00 0.00 42.92 42.76 2k0f s ASP 60 CO 0.08 -1.37 1.47 0.15 1.18 0.00 0.00 175.17 176.68 2k0f h PHE 61 N -0.23 0.01 0.00 4.23 3.57 -1.97 -1.33 116.94 121.22 2k0f h PHE 61 Ca -0.43 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.07 2k0f h PHE 61 Cb 1.30 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.04 2k0f h PHE 61 CO 0.31 0.29 0.00 -2.30 -2.23 0.00 0.00 178.31 174.38 2k0f n PRO 62 N -4.95 0.06 -0.07 6.41 -0.02 -1.26 -1.12 135.00 134.06 2k0f n PRO 62 Ca -0.08 0.44 -0.11 0.00 -2.02 0.00 0.00 63.50 61.74 2k0f n PRO 62 Cb 0.16 -1.66 -0.09 0.00 -0.02 0.00 0.00 33.50 31.89 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 0.00 -0.53 -0.52 5.08 -1.75 -1.59 114.58 115.27 2k0f h GLU 63 Ca 0.00 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 2k0f h GLU 63 Cb 0.14 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.29 2k0f h GLU 63 CO 0.00 0.67 -0.35 0.35 -1.00 0.00 0.00 179.01 178.68 2k0f h PHE 64 N -1.00 -0.97 -0.68 4.33 3.57 -1.09 0.58 116.94 121.68 2k0f h PHE 64 Ca -0.04 0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.58 2k0f h PHE 64 Cb 0.74 0.50 -0.04 0.00 2.79 0.00 0.00 35.95 39.94 2k0f h PHE 64 CO 0.15 -0.39 0.45 -0.07 -2.23 0.00 0.00 178.31 176.22 2k0f h LEU 65 N -0.20 0.64 -0.43 0.59 3.38 -1.22 0.12 115.31 118.18 2k0f h LEU 65 Ca 0.21 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 2k0f h LEU 65 Cb 0.55 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2k0f h LEU 65 CO -0.64 0.42 0.14 0.74 0.09 0.00 0.00 178.44 179.20 2k0f h THR 66 N 0.73 1.22 -0.58 0.22 2.02 -0.70 -2.79 112.91 113.02 2k0f h THR 66 Ca 0.29 -0.72 0.04 0.00 0.77 0.00 0.00 66.41 66.79 2k0f h THR 66 Cb 0.21 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 2k0f h THR 66 CO -0.09 0.26 0.33 -0.03 0.37 0.00 0.00 175.52 176.36 2k0f h MET 67 N 0.56 0.63 0.00 6.66 1.85 -0.39 -3.06 114.93 121.17 2k0f h MET 67 Ca 0.14 -0.04 -0.05 0.00 -0.61 0.00 0.00 59.70 59.14 2k0f h MET 67 Cb 0.26 -0.14 -0.01 0.00 0.43 0.00 0.00 31.60 32.14 2k0f h MET 67 CO -0.01 0.41 -0.25 0.52 -0.40 0.00 0.00 176.91 177.18 2k0f h MET 68 N 0.64 0.00 0.00 0.39 2.07 -0.70 -2.76 114.93 114.57 2k0f h MET 68 Ca 0.24 0.00 -0.20 0.00 -2.07 0.00 0.00 59.70 57.67 2k0f h MET 68 Cb 0.09 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 29.79 2k0f h MET 68 CO -0.13 0.25 -0.98 0.00 1.07 0.00 0.00 176.91 177.12 2k0f h ALA 69 N 1.75 0.39 -1.90 6.32 0.00 -1.40 -3.45 119.26 120.96 2k0f h ALA 69 Ca -0.00 -0.89 -0.57 0.00 0.00 0.00 0.00 54.91 53.45 2k0f h ALA 69 Cb 0.88 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.48 2k0f h ALA 69 CO 0.03 1.21 0.97 1.03 0.00 0.00 0.00 179.25 182.49 2k0f s ARG 70 N -2.73 3.86 0.52 0.00 0.52 -1.04 -4.97 118.95 115.11 2k0f s ARG 70 Ca 0.01 1.10 -0.21 0.00 -0.52 0.00 0.00 55.73 56.11 2k0f s ARG 70 Cb 0.10 -3.89 -0.06 0.00 0.52 0.00 0.00 34.95 31.62 2k0f s ARG 70 CO 0.81 -1.19 1.21 0.15 0.02 0.00 0.00 175.30 176.30 2k0f s LYS 71 N 4.25 3.40 0.02 3.54 1.02 -1.26 -5.02 119.74 125.68 2k0f s LYS 71 Ca 0.55 1.86 0.00 0.00 0.02 0.00 0.00 55.97 58.40 2k0f s LYS 71 Cb -0.15 -2.21 0.00 0.00 -0.52 0.00 0.00 37.83 34.95 2k0f s LYS 71 CO 0.24 -0.87 0.02 -1.33 -0.92 0.00 0.00 175.35 172.50 2k0f n MET 72 N -0.95 0.70 -1.95 1.68 2.81 -1.26 -5.11 117.12 113.04 2k0f n MET 72 Ca 0.10 -0.07 -0.30 0.00 -1.81 0.00 0.00 57.70 55.62 2k0f n MET 72 Cb 0.48 -0.01 0.04 0.00 -0.71 0.00 0.00 33.22 33.02 2k0f n MET 72 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2k0f s LYS 73 N -2.35 2.98 0.21 0.03 1.02 -1.26 -4.91 119.74 115.45 2k0f s LYS 73 Ca 0.02 0.45 0.03 0.00 0.02 0.00 0.00 55.97 56.49 2k0f s LYS 73 Cb -0.00 -2.06 0.16 0.00 -0.52 0.00 0.00 37.83 35.41 2k0f s LYS 73 CO 0.01 -0.93 1.50 0.38 -0.92 0.00 0.00 175.35 175.40 2k0f h ASP 74 N -0.55 0.29 -0.43 2.83 2.03 -1.99 0.01 116.42 118.62 2k0f h ASP 74 Ca -0.45 -0.19 -0.07 0.00 -0.73 0.00 0.00 57.03 55.60 2k0f h ASP 74 Cb 1.24 -0.09 -0.02 0.00 -0.83 0.00 0.00 39.33 39.64 2k0f h ASP 74 CO 0.63 0.89 0.04 0.71 -1.03 0.00 0.00 179.24 180.48 2k0f h THR 75 N 0.17 1.24 0.14 1.15 1.35 -2.00 -1.84 112.91 113.12 2k0f h THR 75 Ca -0.02 -0.94 -0.28 0.00 -0.55 0.00 0.00 66.41 64.62 2k0f h THR 75 Cb 1.22 0.81 0.01 0.00 -1.73 0.00 0.00 68.15 68.46 2k0f h THR 75 CO 0.11 0.34 -1.29 0.44 -0.25 0.00 0.00 175.52 174.87 2k0f h ASP 76 N 0.76 0.46 0.78 5.36 3.32 -1.91 -3.18 116.42 122.01 2k0f h ASP 76 Ca 0.15 -0.50 -0.04 0.00 0.02 0.00 0.00 57.03 56.67 2k0f h ASP 76 Cb 0.40 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 2k0f h ASP 76 CO 0.01 1.39 -0.18 0.28 -1.72 0.00 0.00 179.24 179.02 2k0f h SER 77 N 0.08 0.00 0.37 6.45 0.02 -0.81 -0.94 113.55 118.72 2k0f h SER 77 Ca -0.15 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.48 2k0f h SER 77 Cb 1.99 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 64.49 2k0f h SER 77 CO 0.21 0.18 -1.84 1.21 -1.14 0.00 0.00 176.83 175.45 2k0f n GLU 78 N -3.43 0.66 0.15 3.45 2.13 -0.71 -3.81 120.64 119.09 2k0f n GLU 78 Ca -0.00 0.26 0.03 0.00 0.66 0.00 0.00 57.16 58.11 2k0f n GLU 78 Cb 0.37 -1.75 0.15 0.00 0.27 0.00 0.00 31.44 30.48 2k0f n GLU 78 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2k0f h GLU 79 N 0.01 0.00 -0.30 5.31 4.57 -1.49 -2.95 114.58 119.73 2k0f h GLU 79 Ca -0.34 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 57.89 2k0f h GLU 79 Cb 2.04 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 30.61 2k0f h GLU 79 CO 0.07 0.50 0.21 1.49 -1.18 0.00 0.00 179.01 180.09 2k0f h GLU 80 N 0.00 0.19 0.20 1.92 4.81 -1.27 -1.78 114.58 118.65 2k0f h GLU 80 Ca -0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2k0f h GLU 80 Cb 1.21 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2k0f h GLU 80 CO 0.06 0.13 -0.09 0.82 -0.73 0.00 0.00 179.01 179.20 2k0f h ILE 81 N 0.20 0.90 -0.27 2.32 2.04 -1.68 -3.16 117.51 117.85 2k0f h ILE 81 Ca 0.13 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 2k0f h ILE 81 Cb 0.28 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 2k0f h ILE 81 CO -0.02 0.12 0.15 0.03 0.00 0.00 0.00 178.15 178.42 2k0f h ARG 82 N -0.53 0.39 -0.88 2.37 3.08 -1.45 0.43 114.38 117.78 2k0f h ARG 82 Ca -0.03 -0.05 0.06 0.00 0.07 0.00 0.00 59.98 60.03 2k0f h ARG 82 Cb 0.40 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.32 2k0f h ARG 82 CO 0.04 0.35 0.56 0.93 -1.07 0.00 0.00 179.97 180.78 2k0f h GLU 83 N 0.32 1.00 -0.33 0.04 4.39 -1.67 0.65 114.58 118.98 2k0f h GLU 83 Ca 0.10 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 2k0f h GLU 83 Cb 0.08 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 2k0f h GLU 83 CO -0.01 0.66 0.08 0.00 -1.16 0.00 0.00 179.01 178.58 2k0f h ALA 84 N 1.40 0.43 -0.78 3.43 0.00 -1.39 -3.18 119.26 119.17 2k0f h ALA 84 Ca 0.38 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 55.26 2k0f h ALA 84 Cb 0.13 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 17.70 2k0f h ALA 84 CO -0.16 0.10 0.34 0.35 0.00 0.00 0.00 179.25 179.87 2k0f h PHE 85 N 0.37 0.58 0.00 0.00 3.57 -0.68 -2.94 116.94 117.84 2k0f h PHE 85 Ca 0.10 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 2k0f h PHE 85 Cb 0.30 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 2k0f h PHE 85 CO 0.01 0.08 -0.01 -0.09 -2.23 0.00 0.00 178.31 176.08 2k0f h ARG 86 N 0.48 0.00 0.24 1.11 2.43 -0.86 -0.57 114.38 117.21 2k0f h ARG 86 Ca 0.43 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.59 2k0f h ARG 86 Cb 0.66 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2k0f h ARG 86 CO -0.40 0.01 -0.12 0.28 -1.51 0.00 0.00 179.97 178.23 2k0f h VAL 87 N 0.00 0.81 0.11 0.20 2.07 -1.51 -3.39 116.25 114.54 2k0f h VAL 87 Ca -0.00 -0.68 -0.27 0.00 0.82 0.00 0.00 66.70 66.57 2k0f h VAL 87 Cb 0.21 1.18 0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2k0f h VAL 87 CO 0.00 0.14 -1.19 -0.26 0.02 0.00 0.00 177.57 176.28 2k0f h PHE 88 N -0.69 0.63 -2.82 1.57 -1.00 -1.52 -3.37 116.94 109.73 2k0f h PHE 88 Ca -0.03 -0.42 -0.57 0.00 2.81 0.00 0.00 57.97 59.75 2k0f h PHE 88 Cb 0.48 -0.04 -0.10 0.00 3.61 0.00 0.00 35.95 39.90 2k0f h PHE 88 CO 0.03 1.30 0.86 0.34 -1.61 0.00 0.00 178.31 179.23 2k0f s ASP 89 N -7.21 6.29 0.00 2.17 2.15 -0.27 -4.77 116.67 115.02 2k0f s ASP 89 Ca -0.06 -0.34 0.00 0.00 0.43 0.00 0.00 52.55 52.59 2k0f s ASP 89 Cb 0.07 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 2k0f s ASP 89 CO 0.89 -1.55 0.41 1.17 -0.17 0.00 0.00 175.17 175.92 2k0f n LYS 90 N 8.47 0.00 -0.09 4.34 4.81 -1.26 -4.47 118.16 129.96 2k0f n LYS 90 Ca 0.03 0.31 -0.07 0.00 -0.87 0.00 0.00 58.31 57.71 2k0f n LYS 90 Cb 0.48 -1.06 -0.01 0.00 0.02 0.00 0.00 35.03 34.46 2k0f n LYS 90 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 2k0f h ASP 91 N 0.00 -0.81 0.00 3.14 3.04 -1.93 -3.48 116.42 116.38 2k0f h ASP 91 Ca 0.00 0.16 0.00 0.00 -3.24 0.00 0.00 57.03 53.95 2k0f h ASP 91 Cb 0.00 0.40 0.00 0.00 -1.04 0.00 0.00 39.33 38.69 2k0f h ASP 91 CO 0.00 -0.27 0.00 0.61 -2.04 0.00 0.00 179.24 177.54 2k0f n GLY 92 N -1.39 0.60 0.10 7.15 0.00 -1.26 -5.06 105.19 105.33 2k0f n GLY 92 Ca 0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 7.08 -1.94 -3.47 115.58 118.87 2k0f h ASN 93 Ca 0.00 -0.10 0.00 0.00 -3.08 0.00 0.00 56.30 53.12 2k0f h ASN 93 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2k0f h ASN 93 CO 0.00 0.05 0.00 0.61 -2.08 0.00 0.00 177.43 176.01 2k0f n GLY 94 N 1.28 1.25 2.80 9.14 0.00 -1.26 -5.09 105.19 113.31 2k0f n GLY 94 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.04 -0.32 1.61 1.51 -1.26 -2.72 117.35 114.13 2k0f s TYR 95 Ca 0.00 0.29 -0.22 0.00 -1.01 0.00 0.00 57.07 56.12 2k0f s TYR 95 Cb 0.00 -0.23 0.00 0.00 -0.11 0.00 0.00 41.96 41.62 2k0f s TYR 95 CO 0.00 -0.14 0.73 0.42 -1.11 0.00 0.00 175.55 175.45 2k0f s ILE 96 N 1.36 4.82 0.61 2.71 1.01 0.13 -4.81 121.20 127.03 2k0f s ILE 96 Ca -0.06 0.98 0.05 0.00 0.00 0.00 0.00 60.65 61.62 2k0f s ILE 96 Cb -0.12 -4.12 0.09 0.00 0.01 0.00 0.00 42.46 38.32 2k0f s ILE 96 CO -0.04 -0.27 0.84 -0.94 0.00 0.00 0.00 174.94 174.53 2k0f s SER 97 N 1.69 4.90 0.30 3.58 1.04 -1.26 -1.09 113.70 122.86 2k0f s SER 97 Ca 0.30 -0.55 0.24 0.00 0.48 0.00 0.00 55.95 56.42 2k0f s SER 97 Cb -0.14 -0.03 0.46 0.00 0.10 0.00 0.00 66.02 66.41 2k0f s SER 97 CO 0.13 -1.45 1.57 0.00 0.98 0.00 0.00 173.24 174.47 2k0f h ALA 98 N -0.04 0.90 -0.25 5.32 0.00 -1.98 -0.91 119.26 122.29 2k0f h ALA 98 Ca -0.34 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 2k0f h ALA 98 Cb 1.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2k0f h ALA 98 CO 0.42 0.00 -0.07 0.00 0.00 0.00 0.00 179.25 179.60 2k0f h ALA 99 N 2.23 0.35 0.04 0.00 0.00 -1.98 -2.43 119.26 117.46 2k0f h ALA 99 Ca 0.00 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.66 2k0f h ALA 99 Cb 0.88 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.53 2k0f h ALA 99 CO 0.00 0.17 -0.41 0.93 0.00 0.00 0.00 179.25 179.94 2k0f h GLU 100 N 0.24 -0.57 -0.84 0.00 5.08 -1.87 -0.52 114.58 116.10 2k0f h GLU 100 Ca 0.06 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2k0f h GLU 100 Cb 0.55 0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 2k0f h GLU 100 CO 0.03 -0.38 0.47 1.25 -1.00 0.00 0.00 179.01 179.38 2k0f h LEU 101 N -0.59 1.04 0.01 1.33 5.85 -1.11 0.89 115.31 122.73 2k0f h LEU 101 Ca 0.04 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.68 2k0f h LEU 101 Cb 0.66 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 2k0f h LEU 101 CO -0.29 0.83 -0.18 0.03 -0.34 0.00 0.00 178.44 178.49 2k0f h ARG 102 N 1.18 -0.22 -0.59 1.25 3.08 -1.33 -2.54 114.38 115.20 2k0f h ARG 102 Ca 0.30 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.48 2k0f h ARG 102 Cb 0.01 0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.02 2k0f h ARG 102 CO -0.05 -0.15 0.04 1.25 -1.07 0.00 0.00 179.97 179.99 2k0f h HIS 103 N -0.23 0.04 0.23 3.04 2.76 -0.56 0.27 115.15 120.69 2k0f h HIS 103 Ca 0.00 0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.20 2k0f h HIS 103 Cb 0.25 0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.28 2k0f h HIS 103 CO -0.39 -0.11 -0.11 0.28 -1.30 0.00 0.00 177.93 176.29 2k0f h VAL 104 N 0.16 0.85 0.00 5.26 2.07 -0.97 -1.50 116.25 122.12 2k0f h VAL 104 Ca 0.31 -0.47 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 2k0f h VAL 104 Cb 0.48 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 2k0f h VAL 104 CO -0.47 0.10 -0.31 0.24 0.02 0.00 0.00 177.57 177.16 2k0f h MET 105 N -0.54 0.00 0.22 1.57 2.07 -1.26 -2.20 114.93 114.79 2k0f h MET 105 Ca -0.03 0.00 0.01 0.00 -2.07 0.00 0.00 59.70 57.61 2k0f h MET 105 Cb 0.40 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.10 2k0f h MET 105 CO 0.05 0.31 -0.30 1.15 1.07 0.00 0.00 176.91 179.19 2k0f h THR 106 N 0.00 0.36 -0.30 2.22 2.02 -0.47 -0.37 112.91 116.37 2k0f h THR 106 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 2k0f h THR 106 Cb 0.64 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.39 2k0f h THR 106 CO 0.04 0.00 0.13 0.78 0.37 0.00 0.00 175.52 176.84 2k0f h ASN 107 N -0.58 0.37 0.19 4.18 2.35 -0.90 -3.21 115.58 117.97 2k0f h ASN 107 Ca 0.01 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 2k0f h ASN 107 Cb 0.56 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.84 2k0f h ASN 107 CO -0.11 0.33 -0.09 0.25 -1.65 0.00 0.00 177.43 176.16 2k0f h LEU 108 N 0.42 -0.21 0.00 1.61 7.12 -1.15 -3.48 115.31 119.61 2k0f h LEU 108 Ca 0.11 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.12 2k0f h LEU 108 Cb 0.07 0.05 0.00 0.00 -0.53 0.00 0.00 40.66 40.25 2k0f h LEU 108 CO -0.01 -0.13 0.00 0.61 -0.13 0.00 0.00 178.44 178.77 2k0f n GLY 109 N -0.63 -0.11 3.72 3.75 0.00 -0.20 -5.11 105.19 106.60 2k0f n GLY 109 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 4.28 -0.60 1.61 0.41 -0.90 -5.00 118.70 118.50 2k0f s GLU 110 Ca 0.00 0.23 -0.20 0.00 -0.41 0.00 0.00 54.97 54.59 2k0f s GLU 110 Cb 0.00 -3.45 0.09 0.00 -1.78 0.00 0.00 34.13 29.00 2k0f s GLU 110 CO 0.00 0.17 0.74 0.21 -0.49 0.00 0.00 175.26 175.89 2k0f s LYS 111 N 0.65 3.06 0.35 1.61 2.20 -1.26 -4.44 119.74 121.90 2k0f s LYS 111 Ca 0.20 -1.21 0.08 0.00 -0.36 0.00 0.00 55.97 54.68 2k0f s LYS 111 Cb -0.14 -4.25 -0.03 0.00 -1.51 0.00 0.00 37.83 31.90 2k0f s LYS 111 CO 0.07 -1.56 0.24 -0.51 -0.36 0.00 0.00 175.35 173.22 2k0f s LEU 112 N 2.91 3.41 0.30 5.43 1.43 -1.26 -5.15 118.68 125.75 2k0f s LEU 112 Ca 0.13 -0.67 0.05 0.00 -1.03 0.00 0.00 54.13 52.62 2k0f s LEU 112 Cb -0.23 -1.96 -0.06 0.00 0.03 0.00 0.00 46.19 43.97 2k0f s LEU 112 CO 0.07 -0.38 -0.00 0.42 0.23 0.00 0.00 176.35 176.69 2k0f s THR 113 N -2.39 1.46 0.46 5.49 -4.23 -1.26 -5.02 115.64 110.14 2k0f s THR 113 Ca 0.41 -2.06 0.30 0.00 -1.18 0.00 0.00 61.69 59.15 2k0f s THR 113 Cb -0.04 -2.62 0.33 0.00 1.34 0.00 0.00 72.50 71.51 2k0f s THR 113 CO 0.25 -0.17 2.13 0.44 -0.54 0.00 0.00 174.62 176.74 2k0f h ASP 114 N 2.19 0.00 -0.31 3.99 3.32 -2.01 -0.43 116.42 123.17 2k0f h ASP 114 Ca -0.40 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.55 2k0f h ASP 114 Cb 1.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 2k0f h ASP 114 CO 0.69 0.08 -0.18 -0.08 -1.72 0.00 0.00 179.24 178.03 2k0f h GLU 115 N 0.00 0.67 -0.51 3.56 4.57 -1.99 -1.96 114.58 118.91 2k0f h GLU 115 Ca -0.00 -0.31 -0.13 0.00 -1.18 0.00 0.00 59.36 57.75 2k0f h GLU 115 Cb 0.24 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 2k0f h GLU 115 CO 0.01 0.90 -0.18 0.93 -1.18 0.00 0.00 179.01 179.50 2k0f h GLU 116 N 0.42 1.02 -0.29 1.92 4.39 -1.76 -2.90 114.58 117.39 2k0f h GLU 116 Ca 0.06 -0.41 -0.14 0.00 0.34 0.00 0.00 59.36 59.21 2k0f h GLU 116 Cb 0.72 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.32 2k0f h GLU 116 CO 0.05 1.10 -0.36 0.28 -1.16 0.00 0.00 179.01 178.93 2k0f h VAL 117 N 0.89 1.30 0.18 3.13 2.07 -1.00 -2.90 116.25 119.93 2k0f h VAL 117 Ca 0.12 -1.54 0.01 0.00 0.82 0.00 0.00 66.70 66.12 2k0f h VAL 117 Cb 0.75 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 32.10 2k0f h VAL 117 CO 0.06 0.50 -0.39 -0.78 0.02 0.00 0.00 177.57 176.98 2k0f h ASP 118 N 0.50 -1.12 -0.97 0.57 3.58 -1.45 -2.64 116.42 114.89 2k0f h ASP 118 Ca 0.04 0.12 0.30 0.00 0.42 0.00 0.00 57.03 57.91 2k0f h ASP 118 Cb 0.94 0.41 -0.17 0.00 1.72 0.00 0.00 39.33 42.23 2k0f h ASP 118 CO 0.09 -0.48 0.21 -0.08 -2.88 0.00 0.00 179.24 176.09 2k0f h GLU 119 N -0.66 0.05 -0.35 0.28 4.81 -1.32 -1.39 114.58 116.00 2k0f h GLU 119 Ca 0.01 -0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 2k0f h GLU 119 Cb 0.66 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 2k0f h GLU 119 CO -0.19 0.03 0.03 0.52 -0.73 0.00 0.00 179.01 178.68 2k0f h MET 120 N 0.05 0.61 -0.12 1.92 2.86 -1.31 -3.11 114.93 115.84 2k0f h MET 120 Ca 0.66 -0.18 -0.10 0.00 -2.06 0.00 0.00 59.70 58.02 2k0f h MET 120 Cb 1.47 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 33.07 2k0f h MET 120 CO -0.83 0.70 -0.30 0.82 1.06 0.00 0.00 176.91 178.36 2k0f h ILE 121 N 0.43 1.38 -0.28 -1.22 1.08 -0.93 -2.82 117.51 115.16 2k0f h ILE 121 Ca 0.10 -1.61 -0.03 0.00 -0.39 0.00 0.00 64.86 62.94 2k0f h ILE 121 Cb 0.41 2.12 -0.02 0.00 -3.07 0.00 0.00 36.82 36.26 2k0f h ILE 121 CO 0.01 0.47 0.03 -0.09 -0.69 0.00 0.00 178.15 177.88 2k0f h ARG 122 N -0.02 0.41 -0.14 2.37 2.43 -1.52 0.84 114.38 118.75 2k0f h ARG 122 Ca -0.00 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.04 2k0f h ARG 122 Cb 0.91 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.39 2k0f h ARG 122 CO 0.06 0.41 -0.12 1.49 -1.51 0.00 0.00 179.97 180.31 2k0f h GLU 123 N 0.40 0.34 -0.00 0.20 4.81 -1.45 -3.35 114.58 115.52 2k0f h GLU 123 Ca 0.09 -0.17 -0.18 0.00 -0.13 0.00 0.00 59.36 58.97 2k0f h GLU 123 Cb 0.22 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 2k0f h GLU 123 CO 0.00 0.71 -0.81 0.00 -0.73 0.00 0.00 179.01 178.18 2k0f h ALA 124 N 0.62 0.63 -2.46 2.92 0.00 -1.11 -3.43 119.26 116.43 2k0f h ALA 124 Ca 0.03 -0.71 -0.54 0.00 0.00 0.00 0.00 54.91 53.69 2k0f h ALA 124 Cb 0.64 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.34 2k0f h ALA 124 CO 0.03 0.93 0.72 0.34 0.00 0.00 0.00 179.25 181.27 2k0f s ASP 125 N -6.86 6.91 -0.16 0.00 2.15 0.22 -4.90 116.67 114.02 2k0f s ASP 125 Ca -0.02 2.16 -0.13 0.00 0.43 0.00 0.00 52.55 54.99 2k0f s ASP 125 Cb 0.11 -2.57 -0.07 0.00 -0.30 0.00 0.00 42.92 40.09 2k0f s ASP 125 CO 0.81 -0.62 -0.15 -0.38 -0.17 0.00 0.00 175.17 174.65 2k0f n ILE 126 N 4.20 1.45 0.00 4.11 2.08 -1.26 -4.86 119.36 125.08 2k0f n ILE 126 Ca 0.11 0.14 0.00 0.00 0.56 0.00 0.00 62.75 63.56 2k0f n ILE 126 Cb 0.44 -2.31 0.00 0.00 -0.75 0.00 0.00 39.64 37.02 2k0f n ILE 126 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 2k0f n ASP 127 N -4.55 0.00 0.00 4.38 5.68 -1.26 -5.03 116.55 115.77 2k0f n ASP 127 Ca -0.15 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.14 2k0f n ASP 127 Cb 0.40 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 2k0f n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 128 N 1.06 0.00 0.13 6.12 0.00 -1.26 -4.98 105.19 106.26 2k0f n GLY 128 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 0.70 0.00 1.61 2.03 -1.97 -3.48 116.42 115.31 2k0f h ASP 129 Ca 0.00 -0.76 0.00 0.00 -0.73 0.00 0.00 57.03 55.54 2k0f h ASP 129 Cb 0.00 -0.23 0.00 0.00 -0.83 0.00 0.00 39.33 38.27 2k0f h ASP 129 CO 0.00 1.60 0.00 0.61 -1.03 0.00 0.00 179.24 180.42 2k0f n GLY 130 N 1.66 0.97 3.26 7.15 0.00 -1.26 -5.10 105.19 111.88 2k0f n GLY 130 Ca -0.14 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.57 1.08 -0.31 1.61 -0.21 -1.26 -4.61 119.66 115.39 2k0f s GLN 131 Ca 0.00 -1.28 -0.05 0.00 0.02 0.00 0.00 55.36 54.05 2k0f s GLN 131 Cb 0.00 -0.99 0.03 0.00 1.00 0.00 0.00 33.01 33.06 2k0f s GLN 131 CO 0.00 0.19 0.06 0.08 -2.12 0.00 0.00 175.29 173.50 2k0f s VAL 132 N -2.16 3.62 0.00 1.09 1.01 -0.25 -4.68 120.40 119.03 2k0f s VAL 132 Ca 0.11 -1.03 0.00 0.00 0.00 0.00 0.00 61.98 61.05 2k0f s VAL 132 Cb -0.05 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.35 2k0f s VAL 132 CO 0.04 -0.05 0.00 -0.46 0.00 0.00 0.00 175.10 174.62 2k0f n ASN 133 N 4.78 0.00 0.31 3.32 0.23 -1.26 0.17 115.26 122.81 2k0f n ASN 133 Ca -0.14 -0.80 -0.17 0.00 -0.53 0.00 0.00 54.58 52.95 2k0f n ASN 133 Cb 0.46 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.07 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 -0.53 -0.68 -0.92 -2.53 3.20 -1.94 -0.62 116.97 112.95 2k0f h TYR 134 Ca 0.00 -0.02 0.13 0.00 3.14 0.00 0.00 58.73 61.98 2k0f h TYR 134 Cb 0.00 0.23 -0.07 0.00 1.54 0.00 0.00 36.73 38.42 2k0f h TYR 134 CO 0.00 -0.41 0.59 1.49 -1.64 0.00 0.00 178.16 178.19 2k0f h GLU 135 N -0.77 0.77 -0.25 1.82 4.81 -1.95 -1.80 114.58 117.22 2k0f h GLU 135 Ca -0.08 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.04 2k0f h GLU 135 Cb 0.58 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 2k0f h GLU 135 CO 0.12 0.51 -0.14 0.93 -0.73 0.00 0.00 179.01 179.71 2k0f h GLU 136 N 0.80 0.42 -0.45 1.92 5.08 -1.85 -1.94 114.58 118.55 2k0f h GLU 136 Ca 0.45 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.61 2k0f h GLU 136 Cb 0.61 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 2k0f h GLU 136 CO -0.22 0.55 -0.07 0.35 -1.00 0.00 0.00 179.01 178.63 2k0f h PHE 137 N 0.39 0.86 -0.19 4.33 3.57 -0.28 -2.35 116.94 123.27 2k0f h PHE 137 Ca 0.07 -0.15 -0.08 0.00 3.53 0.00 0.00 57.97 61.34 2k0f h PHE 137 Cb 0.47 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 2k0f h PHE 137 CO 0.01 0.83 -0.21 0.28 -2.23 0.00 0.00 178.31 177.00 2k0f h VAL 138 N 0.73 1.33 -0.92 1.41 2.07 -1.20 -1.04 116.25 118.63 2k0f h VAL 138 Ca 0.13 -1.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 2k0f h VAL 138 Cb 0.55 1.81 -0.04 0.00 -1.52 0.00 0.00 31.29 32.08 2k0f h VAL 138 CO 0.03 0.42 0.54 -0.61 0.02 0.00 0.00 177.57 177.97 2k0f h GLN 139 N 0.14 1.27 -0.06 1.57 5.75 -1.29 0.09 115.11 122.58 2k0f h GLN 139 Ca 0.03 -0.13 -0.05 0.00 -0.15 0.00 0.00 58.65 58.35 2k0f h GLN 139 Cb 0.76 -0.26 0.00 0.00 1.07 0.00 0.00 27.48 29.06 2k0f h GLN 139 CO 0.05 0.90 -0.18 1.98 -2.65 0.00 0.00 178.83 178.93 2k0f h MET 140 N 1.28 0.22 -0.10 1.69 4.05 -1.29 -3.20 114.93 117.59 2k0f h MET 140 Ca 0.33 -0.16 0.00 0.00 -0.28 0.00 0.00 59.70 59.59 2k0f h MET 140 Cb -0.03 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 2k0f h MET 140 CO -0.06 0.78 0.00 -1.33 0.23 0.00 0.00 176.91 176.53 2k0f n MET 141 N -4.57 1.36 0.00 0.39 2.81 -0.41 -5.11 117.12 111.59 2k0f n MET 141 Ca -0.08 -0.55 0.11 0.00 -1.81 0.00 0.00 57.70 55.37 2k0f n MET 141 Cb 0.41 -1.30 0.09 0.00 -0.71 0.00 0.00 33.22 31.71 2k0f n MET 141 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73