#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 0.04 -2.82 5.08 -2.04 0.24 114.58 115.08 2k0f h GLU 2 Ca 0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.12 2k0f h GLU 2 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 2k0f h GLU 2 CO 0.00 0.22 -1.03 1.49 -1.00 0.00 0.00 179.01 178.69 2k0f h GLU 3 N 0.00 0.41 0.19 2.33 4.57 -2.05 -1.98 114.58 118.05 2k0f h GLU 3 Ca -0.00 -0.49 -0.01 0.00 -1.18 0.00 0.00 59.36 57.68 2k0f h GLU 3 Cb 0.55 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.29 2k0f h GLU 3 CO 0.03 1.16 -0.09 1.96 -1.18 0.00 0.00 179.01 180.88 2k0f h GLN 4 N 0.21 -0.25 -0.99 1.92 7.50 -1.78 0.65 115.11 122.37 2k0f h GLN 4 Ca -0.10 0.02 0.04 0.00 0.50 0.00 0.00 58.65 59.10 2k0f h GLN 4 Cb 1.69 0.06 -0.06 0.00 0.05 0.00 0.00 27.48 29.22 2k0f h GLN 4 CO 0.18 0.10 0.65 0.82 -1.50 0.00 0.00 178.83 179.08 2k0f h ILE 5 N -0.64 1.18 0.11 2.54 1.08 -0.65 -1.76 117.51 119.37 2k0f h ILE 5 Ca -0.03 -0.43 -0.01 0.00 -0.39 0.00 0.00 64.86 64.01 2k0f h ILE 5 Cb 0.46 -0.19 0.00 0.00 -3.07 0.00 0.00 36.82 34.02 2k0f h ILE 5 CO 0.04 0.23 -0.05 0.00 -0.69 0.00 0.00 178.15 177.68 2k0f h ALA 6 N 1.42 -0.14 -0.74 1.87 0.00 -1.26 0.46 119.26 120.86 2k0f h ALA 6 Ca 0.39 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 55.23 2k0f h ALA 6 Cb -0.01 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 2k0f h ALA 6 CO -0.12 -0.39 0.49 1.49 0.00 0.00 0.00 179.25 180.72 2k0f h GLU 7 N -0.53 0.51 -0.03 0.00 4.81 -0.86 -2.12 114.58 116.35 2k0f h GLU 7 Ca -0.01 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.09 2k0f h GLU 7 Cb 0.43 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.70 2k0f h GLU 7 CO 0.02 0.34 -0.35 0.35 -0.73 0.00 0.00 179.01 178.64 2k0f h PHE 8 N 0.52 0.41 0.00 0.92 3.57 -1.06 -2.07 116.94 119.23 2k0f h PHE 8 Ca 0.35 -0.20 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 2k0f h PHE 8 Cb 0.66 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.34 2k0f h PHE 8 CO -0.00 0.98 -0.04 -0.22 -2.23 0.00 0.00 178.31 176.79 2k0f h LYS 9 N -0.27 0.00 0.08 1.11 1.63 -0.77 0.23 116.57 118.58 2k0f h LYS 9 Ca -0.04 0.00 -0.25 0.00 -0.85 0.00 0.00 60.65 59.51 2k0f h LYS 9 Cb 1.05 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.67 2k0f h LYS 9 CO 0.07 0.04 -1.18 1.49 -3.45 0.00 0.00 179.45 176.42 2k0f h GLU 10 N 0.00 0.16 -0.25 1.90 4.81 -1.24 -2.28 114.58 117.69 2k0f h GLU 10 Ca -0.00 -0.28 -0.10 0.00 -0.13 0.00 0.00 59.36 58.85 2k0f h GLU 10 Cb 0.12 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2k0f h GLU 10 CO 0.01 1.12 -0.26 0.00 -0.73 0.00 0.00 179.01 179.14 2k0f h ALA 11 N 0.74 1.09 -0.46 2.92 0.00 -0.64 -3.27 119.26 119.65 2k0f h ALA 11 Ca -0.10 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.33 2k0f h ALA 11 Cb 1.90 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 2k0f h ALA 11 CO 0.17 0.56 -0.26 0.35 0.00 0.00 0.00 179.25 180.08 2k0f h PHE 12 N 0.42 1.13 0.00 0.00 3.04 -0.44 -2.97 116.94 118.12 2k0f h PHE 12 Ca 0.06 -0.29 -0.02 0.00 3.98 0.00 0.00 57.97 61.70 2k0f h PHE 12 Cb 0.68 -0.26 -0.00 0.00 2.56 0.00 0.00 35.95 38.93 2k0f h PHE 12 CO 0.02 1.12 -0.08 0.77 -2.02 0.00 0.00 178.31 178.12 2k0f h SER 13 N 0.83 0.00 0.47 0.41 0.02 -1.46 0.24 113.55 114.06 2k0f h SER 13 Ca 0.10 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.92 2k0f h SER 13 Cb 0.84 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 2k0f h SER 13 CO 0.07 0.08 -0.59 -0.07 -1.14 0.00 0.00 176.83 175.18 2k0f h LEU 14 N 0.00 0.14 0.00 5.07 3.38 -1.64 -3.20 115.31 119.06 2k0f h LEU 14 Ca -0.00 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.76 2k0f h LEU 14 Cb 0.34 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2k0f h LEU 14 CO 0.01 0.69 -0.73 -0.26 0.09 0.00 0.00 178.44 178.24 2k0f h PHE 15 N 0.09 0.00 -2.33 1.13 0.04 -1.47 -3.43 116.94 110.96 2k0f h PHE 15 Ca -0.00 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.18 2k0f h PHE 15 Cb 1.06 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 39.10 2k0f h PHE 15 CO 0.01 1.26 0.90 0.34 -0.60 0.00 0.00 178.31 180.22 2k0f s ASP 16 N -6.57 6.23 0.04 2.17 2.15 0.78 -4.56 116.67 116.91 2k0f s ASP 16 Ca -0.24 -0.86 -0.16 0.00 0.43 0.00 0.00 52.55 51.72 2k0f s ASP 16 Cb 0.02 -2.50 -0.33 0.00 -0.30 0.00 0.00 42.92 39.81 2k0f s ASP 16 CO 0.62 -1.61 1.04 0.11 -0.17 0.00 0.00 175.17 175.16 2k0f h LYS 17 N 9.76 0.58 0.18 4.34 1.79 -1.84 -3.39 116.57 127.98 2k0f h LYS 17 Ca -0.20 -0.89 -0.01 0.00 -2.18 0.00 0.00 60.65 57.37 2k0f h LYS 17 Cb 1.05 0.32 0.00 0.00 -1.58 0.00 0.00 32.23 32.02 2k0f h LYS 17 CO 1.25 1.42 -0.09 0.38 -1.08 0.00 0.00 179.45 181.33 2k0f h ASP 18 N 0.19 -0.21 0.00 0.86 3.04 -1.91 -3.49 116.42 114.91 2k0f h ASP 18 Ca -0.23 0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.57 2k0f h ASP 18 Cb 2.07 0.05 0.00 0.00 -1.04 0.00 0.00 39.33 40.41 2k0f h ASP 18 CO 0.26 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 178.08 2k0f n GLY 19 N 0.71 -0.73 0.19 7.15 0.00 -1.26 -5.05 105.19 106.20 2k0f n GLY 19 Ca -0.03 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.07 2k0f n GLY 19 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2k0f h ASP 20 N 0.00 0.00 0.00 1.61 3.04 -1.94 -3.46 116.42 115.67 2k0f h ASP 20 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2k0f h ASP 20 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 2k0f h ASP 20 CO 0.00 0.21 0.00 0.61 -2.04 0.00 0.00 179.24 178.02 2k0f n GLY 21 N 1.09 0.69 3.10 7.15 0.00 -1.26 -5.06 105.19 110.91 2k0f n GLY 21 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 1.81 -0.25 2.61 -4.23 -1.26 -4.13 115.64 108.19 2k0f s THR 22 Ca 0.00 -0.82 -0.09 0.00 -1.18 0.00 0.00 61.69 59.60 2k0f s THR 22 Cb 0.00 -1.64 -0.04 0.00 1.34 0.00 0.00 72.50 72.16 2k0f s THR 22 CO 0.00 0.50 0.13 -0.63 -0.54 0.00 0.00 174.62 174.08 2k0f s ILE 23 N 1.05 4.91 0.53 2.99 1.01 -1.15 -4.93 121.20 125.61 2k0f s ILE 23 Ca -0.03 0.03 -0.03 0.00 0.00 0.00 0.00 60.65 60.62 2k0f s ILE 23 Cb -0.14 -3.30 0.01 0.00 0.01 0.00 0.00 42.46 39.03 2k0f s ILE 23 CO -0.05 0.33 0.80 0.42 0.00 0.00 0.00 174.94 176.44 2k0f s THR 24 N 1.39 3.69 0.42 2.92 -4.23 -1.26 -0.53 115.64 118.04 2k0f s THR 24 Ca 0.06 -0.26 0.26 0.00 -1.18 0.00 0.00 61.69 60.58 2k0f s THR 24 Cb -0.15 -3.42 0.45 0.00 1.34 0.00 0.00 72.50 70.72 2k0f s THR 24 CO 0.06 -0.37 1.64 0.74 -0.54 0.00 0.00 174.62 176.15 2k0f h THR 25 N 0.07 0.18 0.01 3.99 2.02 -1.94 -0.89 112.91 116.35 2k0f h THR 25 Ca -0.45 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 66.68 2k0f h THR 25 Cb 1.26 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 2k0f h THR 25 CO 0.59 0.03 -0.00 0.50 0.37 0.00 0.00 175.52 177.00 2k0f h LYS 26 N 0.14 -0.01 -0.71 6.66 3.64 -1.97 -1.90 116.57 122.42 2k0f h LYS 26 Ca 0.79 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 60.25 2k0f h LYS 26 Cb 2.32 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 34.08 2k0f h LYS 26 CO -0.46 0.71 0.36 0.93 -2.27 0.00 0.00 179.45 178.73 2k0f h GLU 27 N -0.75 0.61 0.21 1.90 5.08 -1.83 -0.01 114.58 119.78 2k0f h GLU 27 Ca -0.00 -0.04 -0.32 0.00 -1.00 0.00 0.00 59.36 58.00 2k0f h GLU 27 Cb 0.73 -0.14 0.03 0.00 0.50 0.00 0.00 28.75 29.87 2k0f h GLU 27 CO 0.00 0.41 -1.39 1.25 -1.00 0.00 0.00 179.01 178.28 2k0f h LEU 28 N 0.63 0.77 -0.66 1.33 5.85 -1.28 -3.02 115.31 118.93 2k0f h LEU 28 Ca 0.34 -0.80 0.06 0.00 0.84 0.00 0.00 57.88 58.32 2k0f h LEU 28 Cb 0.32 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 41.03 2k0f h LEU 28 CO -0.25 1.62 -0.39 0.61 -0.34 0.00 0.00 178.44 179.69 2k0f n GLY 29 N 1.61 -2.52 0.26 3.75 0.00 -0.71 -2.35 105.19 105.22 2k0f n GLY 29 Ca -0.15 0.94 0.04 0.00 0.00 0.00 0.00 46.02 46.85 2k0f n GLY 29 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2k0f h THR 30 N 0.00 0.43 0.43 2.61 2.02 -0.87 0.43 112.91 117.96 2k0f h THR 30 Ca 0.11 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 2k0f h THR 30 Cb 0.27 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 2k0f h THR 30 CO -0.62 0.02 -0.23 0.58 0.37 0.00 0.00 175.52 175.64 2k0f h VAL 31 N 0.13 0.00 -1.01 3.16 2.07 -1.44 -1.38 116.25 117.79 2k0f h VAL 31 Ca 0.38 0.00 0.11 0.00 0.82 0.00 0.00 66.70 68.01 2k0f h VAL 31 Cb 0.64 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.33 2k0f h VAL 31 CO -0.59 0.00 0.64 0.24 0.02 0.00 0.00 177.57 177.88 2k0f h MET 32 N -0.61 0.99 0.20 1.57 2.86 -0.98 -1.27 114.93 117.69 2k0f h MET 32 Ca -0.06 -0.06 -0.34 0.00 -2.06 0.00 0.00 59.70 57.18 2k0f h MET 32 Cb 0.48 -0.22 0.02 0.00 0.06 0.00 0.00 31.60 31.93 2k0f h MET 32 CO 0.08 0.66 -1.61 -0.09 1.06 0.00 0.00 176.91 177.01 2k0f h ARG 33 N 1.02 0.42 -0.65 1.72 2.43 -0.25 -2.57 114.38 116.50 2k0f h ARG 33 Ca 0.49 -0.71 0.00 0.00 -0.81 0.00 0.00 59.98 58.95 2k0f h ARG 33 Cb 0.45 0.27 -0.03 0.00 -0.42 0.00 0.00 29.97 30.23 2k0f h ARG 33 CO -0.25 1.33 0.41 0.77 -1.51 0.00 0.00 179.97 180.71 2k0f h SER 34 N 0.11 0.76 0.00 -3.80 0.02 -1.07 -3.28 113.55 106.29 2k0f h SER 34 Ca -0.29 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2k0f h SER 34 Cb 2.11 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 64.46 2k0f h SER 34 CO 0.21 0.57 0.00 0.18 -1.14 0.00 0.00 176.83 176.65 2k0f n LEU 35 N -4.42 0.00 0.16 5.07 4.77 -0.50 -4.93 117.00 117.15 2k0f n LEU 35 Ca 0.07 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 2k0f n LEU 35 Cb 0.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2k0f n LEU 35 CO 0.36 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2k0f n GLY 36 N -0.35 -1.46 3.71 -0.72 0.00 -0.97 -5.05 105.19 100.35 2k0f n GLY 36 Ca 0.00 0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.00 4.28 -0.40 1.61 -1.52 -1.23 -4.95 119.66 115.44 2k0f s GLN 37 Ca 0.00 0.29 -0.24 0.00 -1.95 0.00 0.00 55.36 53.45 2k0f s GLN 37 Cb 0.00 -3.46 0.02 0.00 -0.22 0.00 0.00 33.01 29.35 2k0f s GLN 37 CO 0.00 0.13 0.86 -0.80 -0.25 0.00 0.00 175.29 175.23 2k0f s ASN 38 N 0.67 6.55 0.73 5.90 0.01 -1.26 -3.97 114.94 123.57 2k0f s ASN 38 Ca 0.22 0.28 -0.11 0.00 -0.71 0.00 0.00 52.86 52.54 2k0f s ASN 38 Cb -0.14 -2.43 0.03 0.00 0.41 0.00 0.00 41.25 39.12 2k0f s ASN 38 CO 0.08 -0.87 1.08 -2.16 -1.51 0.00 0.00 177.10 173.71 2k0f s PRO 39 N 3.39 2.62 0.62 -0.60 0.04 -1.26 -5.05 135.00 134.76 2k0f s PRO 39 Ca 0.34 1.09 0.06 0.00 0.04 0.00 0.00 61.00 62.53 2k0f s PRO 39 Cb -0.12 -1.95 0.11 0.00 0.04 0.00 0.00 34.50 32.59 2k0f s PRO 39 CO 0.21 -1.35 0.85 0.25 0.04 0.00 0.00 177.00 177.00 2k0f n THR 40 N -3.24 0.00 -0.06 1.26 -2.24 -1.26 -5.00 114.28 103.74 2k0f n THR 40 Ca 0.08 -1.75 -0.11 0.00 -2.27 0.00 0.00 64.05 60.01 2k0f n THR 40 Cb 0.53 -0.67 -0.10 0.00 -2.10 0.00 0.00 70.33 67.99 2k0f n THR 40 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2k0f h GLU 41 N 0.00 -0.01 -0.01 -0.78 3.07 -1.98 -3.09 114.58 111.78 2k0f h GLU 41 Ca -0.29 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.37 2k0f h GLU 41 Cb 1.21 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.11 2k0f h GLU 41 CO 0.37 0.72 -0.88 0.00 -1.40 0.00 0.00 179.01 177.82 2k0f h ALA 42 N -0.23 0.47 0.41 3.43 0.00 -1.97 0.40 119.26 121.77 2k0f h ALA 42 Ca -0.00 -0.70 -0.02 0.00 0.00 0.00 0.00 54.91 54.19 2k0f h ALA 42 Cb 0.74 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2k0f h ALA 42 CO 0.00 0.85 -0.19 1.49 0.00 0.00 0.00 179.25 181.39 2k0f h GLU 43 N 0.18 -0.52 -0.18 0.00 4.81 -1.99 -0.17 114.58 116.71 2k0f h GLU 43 Ca -0.06 0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 2k0f h GLU 43 Cb 1.50 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.99 2k0f h GLU 43 CO 0.14 -0.33 -0.36 1.25 -0.73 0.00 0.00 179.01 178.99 2k0f h LEU 44 N -0.58 0.39 -0.11 1.64 5.85 -1.44 -2.93 115.31 118.12 2k0f h LEU 44 Ca -0.06 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.52 2k0f h LEU 44 Cb 0.44 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2k0f h LEU 44 CO 0.09 0.72 0.06 -0.61 -0.34 0.00 0.00 178.44 178.36 2k0f h GLN 45 N 0.32 0.13 -0.63 1.25 5.75 -0.84 -2.91 115.11 118.19 2k0f h GLN 45 Ca 0.04 -0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.61 2k0f h GLN 45 Cb 0.78 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.27 2k0f h GLN 45 CO 0.06 0.08 0.42 0.22 -2.65 0.00 0.00 178.83 176.96 2k0f h ASP 46 N 0.13 0.48 -0.84 -0.69 3.58 -0.83 0.51 116.42 118.77 2k0f h ASP 46 Ca 0.04 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 2k0f h ASP 46 Cb -0.01 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 40.91 2k0f h ASP 46 CO -0.02 0.30 0.49 0.24 -2.88 0.00 0.00 179.24 177.37 2k0f h MET 47 N 0.54 1.15 0.05 0.28 2.86 -1.48 -2.44 114.93 115.90 2k0f h MET 47 Ca 0.28 -0.11 -0.12 0.00 -2.06 0.00 0.00 59.70 57.68 2k0f h MET 47 Cb 0.39 -0.24 0.01 0.00 0.06 0.00 0.00 31.60 31.83 2k0f h MET 47 CO -0.08 0.82 -0.51 0.82 1.06 0.00 0.00 176.91 179.01 2k0f h ILE 48 N 1.17 1.53 -0.85 -1.22 2.04 -0.99 -3.35 117.51 115.83 2k0f h ILE 48 Ca 0.30 -2.23 0.19 0.00 1.00 0.00 0.00 64.86 64.12 2k0f h ILE 48 Cb -0.02 2.94 -0.11 0.00 -0.74 0.00 0.00 36.82 38.89 2k0f h ILE 48 CO -0.05 0.62 0.37 0.78 0.00 0.00 0.00 178.15 179.87 2k0f h ASN 49 N -0.40 0.33 -0.61 1.72 2.35 -0.89 0.20 115.58 118.29 2k0f h ASN 49 Ca -0.08 0.13 0.12 0.00 -0.55 0.00 0.00 56.30 55.93 2k0f h ASN 49 Cb 1.31 0.11 -0.12 0.00 0.05 0.00 0.00 38.32 39.67 2k0f h ASN 49 CO 0.10 0.06 -0.21 -0.08 -1.65 0.00 0.00 177.43 175.65 2k0f h GLU 50 N 0.44 -0.05 0.06 0.81 4.81 -1.57 -3.20 114.58 115.87 2k0f h GLU 50 Ca 0.51 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 59.47 2k0f h GLU 50 Cb 0.88 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 2k0f h GLU 50 CO -0.48 -0.04 -1.42 -0.39 -0.73 0.00 0.00 179.01 175.95 2k0f h VAL 51 N -0.06 1.24 -1.13 0.32 -1.51 -1.45 -3.48 116.25 110.18 2k0f h VAL 51 Ca 0.28 -2.95 -0.53 0.00 -1.23 0.00 0.00 66.70 62.27 2k0f h VAL 51 Cb 0.49 2.70 -0.02 0.00 -2.13 0.00 0.00 31.29 32.33 2k0f h VAL 51 CO -0.65 0.79 1.61 -0.67 -1.23 0.00 0.00 177.57 177.41 2k0f n ASP 52 N -3.33 1.86 0.34 4.19 2.03 -0.04 -4.90 116.55 116.70 2k0f n ASP 52 Ca -0.12 -0.09 -0.15 0.00 0.52 0.00 0.00 54.79 54.94 2k0f n ASP 52 Cb 1.02 -1.35 -0.08 0.00 -0.72 0.00 0.00 41.12 39.99 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 15.89 -0.89 0.00 -1.67 0.00 -1.90 -3.30 119.26 127.40 2k0f h ALA 53 Ca -0.21 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2k0f h ALA 53 Cb 1.29 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2k0f h ALA 53 CO 1.17 -0.88 0.00 0.38 0.00 0.00 0.00 179.25 179.92 2k0f h ASP 54 N -1.13 0.00 -2.53 0.00 3.04 -1.95 -3.47 116.42 110.37 2k0f h ASP 54 Ca -0.09 0.00 -0.05 0.00 -3.24 0.00 0.00 57.03 53.65 2k0f h ASP 54 Cb 0.71 0.00 0.03 0.00 -1.04 0.00 0.00 39.33 39.03 2k0f h ASP 54 CO 0.15 0.00 -0.11 0.61 -2.04 0.00 0.00 179.24 177.84 2k0f n GLY 55 N 0.68 0.33 0.00 7.15 0.00 -1.24 -5.02 105.19 107.09 2k0f n GLY 55 Ca 0.03 -0.40 0.01 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.29 1.73 0.00 1.61 6.94 -1.26 -5.03 115.26 117.97 2k0f n ASN 56 Ca -0.04 -0.35 0.00 0.00 -0.02 0.00 0.00 54.58 54.17 2k0f n ASN 56 Cb 0.53 1.05 0.00 0.00 -2.36 0.00 0.00 39.78 39.00 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 1.55 2.04 3.60 4.83 0.00 -1.26 -5.07 105.19 110.88 2k0f n GLY 57 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.01 3.40 -0.46 2.61 -4.23 -1.26 -4.50 115.64 109.19 2k0f s THR 58 Ca 0.00 -1.45 -0.14 0.00 -1.18 0.00 0.00 61.69 58.92 2k0f s THR 58 Cb 0.00 -2.66 0.07 0.00 1.34 0.00 0.00 72.50 71.25 2k0f s THR 58 CO 0.00 -0.03 0.37 -0.51 -0.54 0.00 0.00 174.62 173.91 2k0f s ILE 59 N -1.53 5.03 0.37 2.99 2.07 0.31 -4.87 121.20 125.57 2k0f s ILE 59 Ca 0.24 -1.13 0.01 0.00 -1.41 0.00 0.00 60.65 58.37 2k0f s ILE 59 Cb -0.10 -4.02 0.07 0.00 0.13 0.00 0.00 42.46 38.54 2k0f s ILE 59 CO 0.16 -0.56 0.51 0.47 -1.91 0.00 0.00 174.94 173.60 2k0f n ASP 60 N 5.15 0.84 0.03 4.50 8.00 -1.26 -2.95 116.55 130.85 2k0f n ASP 60 Ca -0.12 -1.67 -0.12 0.00 0.71 0.00 0.00 54.79 53.58 2k0f n ASP 60 Cb 0.43 -0.32 -0.08 0.00 -0.02 0.00 0.00 41.12 41.14 2k0f n ASP 60 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 2k0f h PHE 61 N -0.36 -0.01 0.00 1.24 3.57 -1.97 -0.88 116.94 118.53 2k0f h PHE 61 Ca -0.17 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.33 2k0f h PHE 61 Cb 0.67 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.41 2k0f h PHE 61 CO 0.00 0.11 0.00 -1.00 -2.23 0.00 0.00 178.31 175.19 2k0f h PRO 62 N -0.12 0.00 0.08 6.41 0.13 -1.96 -2.32 132.00 134.21 2k0f h PRO 62 Ca -0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.87 2k0f h PRO 62 Cb 0.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.24 2k0f h PRO 62 CO 0.00 0.00 -1.36 0.93 -0.23 0.00 0.00 178.00 177.34 2k0f h GLU 63 N 0.00 0.16 -0.24 0.86 5.08 -1.72 -0.38 114.58 118.34 2k0f h GLU 63 Ca 0.00 -0.27 0.05 0.00 -1.00 0.00 0.00 59.36 58.13 2k0f h GLU 63 Cb 0.30 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 2k0f h GLU 63 CO 0.00 1.13 -0.06 0.35 -1.00 0.00 0.00 179.01 179.43 2k0f h PHE 64 N -0.50 -0.14 -0.68 4.33 3.04 -1.26 -1.63 116.94 120.11 2k0f h PHE 64 Ca -0.31 0.02 0.13 0.00 3.98 0.00 0.00 57.97 61.78 2k0f h PHE 64 Cb 1.62 0.10 -0.09 0.00 2.56 0.00 0.00 35.95 40.14 2k0f h PHE 64 CO 0.12 -0.11 0.23 1.25 -2.02 0.00 0.00 178.31 177.78 2k0f h LEU 65 N -0.01 0.17 -0.31 0.59 6.46 -1.48 0.52 115.31 121.25 2k0f h LEU 65 Ca 0.12 0.11 -0.15 0.00 -0.12 0.00 0.00 57.88 57.84 2k0f h LEU 65 Cb 0.18 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.20 2k0f h LEU 65 CO -0.25 0.07 -0.70 0.74 -0.62 0.00 0.00 178.44 177.68 2k0f h THR 66 N 0.37 1.32 -0.01 1.05 2.02 -1.04 0.42 112.91 117.04 2k0f h THR 66 Ca 0.37 -2.56 -0.00 0.00 0.77 0.00 0.00 66.41 64.99 2k0f h THR 66 Cb 0.54 2.45 -0.00 0.00 -1.74 0.00 0.00 68.15 69.41 2k0f h THR 66 CO -0.40 0.69 -0.01 -0.03 0.37 0.00 0.00 175.52 176.14 2k0f h MET 67 N 0.00 0.02 -0.81 6.66 1.85 -0.96 -2.86 114.93 118.84 2k0f h MET 67 Ca -0.01 -0.01 0.01 0.00 -0.61 0.00 0.00 59.70 59.08 2k0f h MET 67 Cb 1.40 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 33.39 2k0f h MET 67 CO 0.09 0.48 0.53 0.52 -0.40 0.00 0.00 176.91 178.14 2k0f h MET 68 N -0.44 1.06 0.00 0.39 2.07 -0.74 -3.20 114.93 114.07 2k0f h MET 68 Ca 0.00 -0.06 -0.07 0.00 -2.07 0.00 0.00 59.70 57.50 2k0f h MET 68 Cb 0.48 -0.24 -0.01 0.00 -1.87 0.00 0.00 31.60 29.96 2k0f h MET 68 CO 0.00 0.70 -0.33 0.00 1.07 0.00 0.00 176.91 178.35 2k0f h ALA 69 N 1.30 1.02 -1.93 6.32 0.00 -0.21 -3.44 119.26 122.31 2k0f h ALA 69 Ca 0.30 -0.30 -0.64 0.00 0.00 0.00 0.00 54.91 54.27 2k0f h ALA 69 Cb -0.13 -0.05 0.07 0.00 0.00 0.00 0.00 17.79 17.68 2k0f h ALA 69 CO -0.06 0.42 0.50 -2.13 0.00 0.00 0.00 179.25 177.97 2k0f n ARG 70 N -3.52 1.50 -4.04 0.00 0.63 -1.08 -4.99 116.66 105.16 2k0f n ARG 70 Ca -0.00 0.54 -0.28 0.00 -0.92 0.00 0.00 57.85 57.19 2k0f n ARG 70 Cb 0.48 -2.17 -0.05 0.00 0.45 0.00 0.00 32.46 31.16 2k0f n ARG 70 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2k0f s LYS 71 N 0.21 3.01 0.52 -0.14 -0.14 -1.26 -5.02 119.74 116.91 2k0f s LYS 71 Ca 0.78 -0.75 -0.05 0.00 -1.36 0.00 0.00 55.97 54.59 2k0f s LYS 71 Cb -0.82 -2.74 -0.02 0.00 -1.68 0.00 0.00 37.83 32.57 2k0f s LYS 71 CO 0.47 0.52 0.82 -1.64 -0.76 0.00 0.00 175.35 174.75 2k0f s MET 72 N -2.88 3.28 -0.02 1.68 -1.94 -1.26 -5.03 119.30 113.14 2k0f s MET 72 Ca 0.31 0.07 -0.15 0.00 -1.71 0.00 0.00 55.69 54.22 2k0f s MET 72 Cb -0.11 -2.36 -0.33 0.00 2.01 0.00 0.00 34.83 34.05 2k0f s MET 72 CO 0.24 -0.38 0.81 -0.22 -0.01 0.00 0.00 175.02 175.46 2k0f h LYS 73 N 0.10 0.44 0.00 2.03 3.64 -2.04 -3.48 116.57 117.26 2k0f h LYS 73 Ca -0.46 -0.75 0.00 0.00 -1.27 0.00 0.00 60.65 58.17 2k0f h LYS 73 Cb 1.23 0.28 0.00 0.00 -0.41 0.00 0.00 32.23 33.33 2k0f h LYS 73 CO 0.61 1.36 0.00 -0.25 -2.27 0.00 0.00 179.45 178.90 2k0f n ASP 74 N -3.73 0.03 -4.57 4.20 8.00 -1.26 -5.02 116.55 114.20 2k0f n ASP 74 Ca -0.21 -0.99 -0.42 0.00 0.71 0.00 0.00 54.79 53.88 2k0f n ASP 74 Cb 1.05 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 42.12 2k0f n ASP 74 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2k0f s THR 75 N 0.98 3.87 -1.13 -3.53 2.01 -1.26 -4.81 115.64 111.78 2k0f s THR 75 Ca 0.00 0.67 0.10 0.00 0.31 0.00 0.00 61.69 62.77 2k0f s THR 75 Cb 0.00 -4.82 0.15 0.00 0.01 0.00 0.00 72.50 67.85 2k0f s THR 75 CO 0.00 -1.59 0.97 -0.67 -0.69 0.00 0.00 174.62 172.64 2k0f n ASP 76 N 8.90 2.20 0.00 3.53 2.03 -1.26 -4.58 116.55 127.37 2k0f n ASP 76 Ca 0.06 -1.63 0.00 0.00 0.52 0.00 0.00 54.79 53.74 2k0f n ASP 76 Cb 0.49 -0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.82 2k0f n ASP 76 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2k0f n SER 77 N 0.53 0.00 -0.28 1.67 3.41 -1.26 -0.75 113.62 116.94 2k0f n SER 77 Ca 0.08 0.67 0.10 0.00 -0.26 0.00 0.00 58.87 59.45 2k0f n SER 77 Cb 0.31 -0.17 0.25 0.00 -0.26 0.00 0.00 64.21 64.34 2k0f n SER 77 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2k0f h GLU 78 N 0.00 0.31 -0.23 4.33 4.81 -1.99 -2.19 114.58 119.62 2k0f h GLU 78 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2k0f h GLU 78 Cb 0.00 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 2k0f h GLU 78 CO 0.00 0.21 0.15 0.93 -0.73 0.00 0.00 179.01 179.57 2k0f h GLU 79 N 0.32 0.31 -0.12 1.92 4.39 -1.80 -1.09 114.58 118.52 2k0f h GLU 79 Ca 0.50 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 60.09 2k0f h GLU 79 Cb 0.91 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 2k0f h GLU 79 CO -0.54 0.24 -0.23 1.49 -1.16 0.00 0.00 179.01 178.81 2k0f h GLU 80 N 0.30 0.36 -0.68 2.33 4.81 -0.83 -3.18 114.58 117.70 2k0f h GLU 80 Ca 0.08 -0.23 -0.08 0.00 -0.13 0.00 0.00 59.36 59.00 2k0f h GLU 80 Cb -0.00 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.38 2k0f h GLU 80 CO -0.02 0.83 0.12 0.82 -0.73 0.00 0.00 179.01 180.03 2k0f h ILE 81 N -0.06 1.26 -0.25 2.32 2.04 -1.35 -2.82 117.51 118.64 2k0f h ILE 81 Ca 0.00 -1.03 -0.03 0.00 1.00 0.00 0.00 64.86 64.80 2k0f h ILE 81 Cb 0.82 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2k0f h ILE 81 CO 0.05 0.39 0.03 -0.09 0.00 0.00 0.00 178.15 178.53 2k0f h ARG 82 N 1.04 0.43 0.00 2.37 2.43 -1.29 -1.97 114.38 117.39 2k0f h ARG 82 Ca 0.21 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 2k0f h ARG 82 Cb 0.43 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.94 2k0f h ARG 82 CO 0.01 0.57 -0.06 0.93 -1.51 0.00 0.00 179.97 179.91 2k0f h GLU 83 N 0.23 0.00 -0.02 0.20 4.39 -1.50 -2.49 114.58 115.39 2k0f h GLU 83 Ca 0.08 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.53 2k0f h GLU 83 Cb 0.36 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2k0f h GLU 83 CO 0.01 0.06 -0.97 0.00 -1.16 0.00 0.00 179.01 176.95 2k0f h ALA 84 N 1.94 0.24 0.00 3.43 0.00 -1.20 -3.24 119.26 120.42 2k0f h ALA 84 Ca -0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 2k0f h ALA 84 Cb 0.38 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2k0f h ALA 84 CO 0.01 0.72 -0.05 0.35 0.00 0.00 0.00 179.25 180.28 2k0f h PHE 85 N 0.37 0.00 0.00 0.00 3.57 -0.92 -1.34 116.94 118.62 2k0f h PHE 85 Ca -0.10 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.38 2k0f h PHE 85 Cb 1.61 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.35 2k0f h PHE 85 CO 0.09 0.05 -0.10 0.00 -2.23 0.00 0.00 178.31 176.12 2k0f h ARG 86 N 0.00 0.00 0.00 1.11 3.08 -1.53 0.39 114.38 117.43 2k0f h ARG 86 Ca -0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 2k0f h ARG 86 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 2k0f h ARG 86 CO 0.01 0.10 -0.43 0.28 -1.07 0.00 0.00 179.97 178.85 2k0f h VAL 87 N 0.00 1.00 0.00 2.04 2.07 -1.38 -3.36 116.25 116.63 2k0f h VAL 87 Ca -0.00 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 65.84 2k0f h VAL 87 Cb 0.21 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 2k0f h VAL 87 CO 0.01 0.42 -0.13 0.49 0.02 0.00 0.00 177.57 178.39 2k0f n PHE 88 N -3.58 0.22 -2.37 1.57 3.01 -0.93 -4.92 117.46 110.46 2k0f n PHE 88 Ca -0.00 0.09 -0.43 0.00 1.01 0.00 0.00 57.45 58.12 2k0f n PHE 88 Cb 0.54 -0.36 -0.02 0.00 -0.01 0.00 0.00 39.48 39.62 2k0f n PHE 88 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2k0f s ASP 89 N -4.06 6.88 -0.22 4.37 2.15 0.08 -4.82 116.67 121.05 2k0f s ASP 89 Ca -0.04 1.70 -0.19 0.00 0.43 0.00 0.00 52.55 54.45 2k0f s ASP 89 Cb 0.01 -2.54 -0.17 0.00 -0.30 0.00 0.00 42.92 39.92 2k0f s ASP 89 CO 0.05 -0.82 0.08 1.17 -0.17 0.00 0.00 175.17 175.48 2k0f n LYS 90 N 6.76 0.56 -0.04 4.34 4.81 -1.26 -4.24 118.16 129.08 2k0f n LYS 90 Ca 0.14 0.51 -0.12 0.00 -0.87 0.00 0.00 58.31 57.98 2k0f n LYS 90 Cb 0.45 -1.69 -0.07 0.00 0.02 0.00 0.00 35.03 33.74 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 -1.00 0.24 0.00 3.14 3.04 -1.93 -3.48 116.42 116.42 2k0f h ASP 91 Ca -0.39 -0.33 0.00 0.00 -3.24 0.00 0.00 57.03 53.07 2k0f h ASP 91 Cb 1.31 -0.06 0.00 0.00 -1.04 0.00 0.00 39.33 39.54 2k0f h ASP 91 CO -0.24 0.51 0.00 0.61 -2.04 0.00 0.00 179.24 178.09 2k0f n GLY 92 N -0.23 1.25 0.20 7.15 0.00 -1.26 -4.99 105.19 107.31 2k0f n GLY 92 Ca -0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.94 -3.46 115.58 110.72 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 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.11 2k0f n GLY 94 N -0.40 1.00 3.01 9.14 0.00 -1.26 -5.09 105.19 111.59 2k0f n GLY 94 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.06 -0.24 1.61 1.51 -1.26 -4.10 117.35 112.80 2k0f s TYR 95 Ca 0.00 0.16 -0.14 0.00 -1.01 0.00 0.00 57.07 56.08 2k0f s TYR 95 Cb 0.00 0.01 -0.04 0.00 -0.11 0.00 0.00 41.96 41.82 2k0f s TYR 95 CO 0.00 -0.11 0.33 0.42 -1.11 0.00 0.00 175.55 175.08 2k0f s ILE 96 N -0.32 5.22 0.50 2.71 1.01 0.46 -4.81 121.20 125.97 2k0f s ILE 96 Ca -0.04 0.53 0.09 0.00 0.00 0.00 0.00 60.65 61.23 2k0f s ILE 96 Cb -0.03 -3.66 0.05 0.00 0.01 0.00 0.00 42.46 38.82 2k0f s ILE 96 CO 0.00 0.23 0.65 -0.44 0.00 0.00 0.00 174.94 175.39 2k0f s SER 97 N 1.30 5.28 0.19 3.58 0.01 -1.26 -1.20 113.70 121.60 2k0f s SER 97 Ca 0.15 -0.70 -0.09 0.00 1.31 0.00 0.00 55.95 56.62 2k0f s SER 97 Cb -0.15 -0.12 0.09 0.00 0.21 0.00 0.00 66.02 66.04 2k0f s SER 97 CO 0.08 -1.05 1.65 0.00 0.41 0.00 0.00 173.24 174.32 2k0f h ALA 98 N 0.45 0.84 -0.60 1.44 0.00 -1.96 -1.95 119.26 117.48 2k0f h ALA 98 Ca -0.35 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.16 2k0f h ALA 98 Cb 1.28 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2k0f h ALA 98 CO 0.45 0.67 0.04 0.00 0.00 0.00 0.00 179.25 180.41 2k0f h ALA 99 N 1.01 0.81 -0.02 0.00 0.00 -1.96 -1.73 119.26 117.37 2k0f h ALA 99 Ca 0.17 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2k0f h ALA 99 Cb 0.57 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2k0f h ALA 99 CO 0.03 0.62 -0.01 0.93 0.00 0.00 0.00 179.25 180.82 2k0f h GLU 100 N 0.94 0.04 -0.80 0.00 5.08 -1.92 -1.96 114.58 115.96 2k0f h GLU 100 Ca 0.18 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.61 2k0f h GLU 100 Cb 0.50 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.70 2k0f h GLU 100 CO 0.02 0.42 0.52 1.25 -1.00 0.00 0.00 179.01 180.22 2k0f h LEU 101 N -0.34 0.71 -0.15 1.33 5.85 -1.29 0.21 115.31 121.63 2k0f h LEU 101 Ca 0.01 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2k0f h LEU 101 Cb 0.40 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2k0f h LEU 101 CO 0.00 0.43 0.03 -0.09 -0.34 0.00 0.00 178.44 178.47 2k0f h ARG 102 N 0.79 0.25 -0.10 1.25 2.43 -1.23 -1.94 114.38 115.84 2k0f h ARG 102 Ca 0.36 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.50 2k0f h ARG 102 Cb 0.37 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 2k0f h ARG 102 CO -0.14 0.43 -0.15 1.25 -1.51 0.00 0.00 179.97 179.86 2k0f h HIS 103 N 0.04 -0.37 -0.34 2.20 2.76 -1.06 -2.46 115.15 115.90 2k0f h HIS 103 Ca 0.05 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.30 2k0f h HIS 103 Cb 0.30 0.18 -0.08 0.00 1.55 0.00 0.00 27.41 29.36 2k0f h HIS 103 CO 0.02 -0.22 -0.45 0.28 -1.30 0.00 0.00 177.93 176.26 2k0f h VAL 104 N -0.20 0.10 -0.14 5.26 2.07 -0.46 -2.83 116.25 120.05 2k0f h VAL 104 Ca 0.08 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.62 2k0f h VAL 104 Cb 0.31 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 2k0f h VAL 104 CO -0.21 0.00 -0.23 0.24 0.02 0.00 0.00 177.57 177.39 2k0f h MET 105 N -0.38 -0.17 -0.57 1.57 2.07 -1.29 -1.48 114.93 114.67 2k0f h MET 105 Ca 0.11 0.01 0.05 0.00 -2.07 0.00 0.00 59.70 57.80 2k0f h MET 105 Cb 0.60 0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 30.34 2k0f h MET 105 CO -0.54 -0.12 0.38 1.15 1.07 0.00 0.00 176.91 178.85 2k0f h THR 106 N -0.18 1.03 0.02 2.22 2.02 -0.86 0.15 112.91 117.31 2k0f h THR 106 Ca 0.03 -0.21 -0.20 0.00 0.77 0.00 0.00 66.41 66.80 2k0f h THR 106 Cb 0.25 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 2k0f h THR 106 CO -0.23 0.11 -0.92 0.78 0.37 0.00 0.00 175.52 175.63 2k0f h ASN 107 N 0.60 0.21 0.57 4.18 2.35 -1.43 -3.12 115.58 118.94 2k0f h ASN 107 Ca 0.24 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.79 2k0f h ASN 107 Cb 0.18 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 2k0f h ASN 107 CO -0.07 1.02 -0.44 -0.07 -1.65 0.00 0.00 177.43 176.23 2k0f h LEU 108 N 0.08 -1.15 0.00 1.61 3.38 -0.68 -3.41 115.31 115.13 2k0f h LEU 108 Ca -0.04 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2k0f h LEU 108 Cb 1.58 0.36 0.00 0.00 0.09 0.00 0.00 40.66 42.69 2k0f h LEU 108 CO 0.14 -0.62 0.00 0.61 0.09 0.00 0.00 178.44 178.65 2k0f n GLY 109 N -1.52 0.00 3.55 0.83 0.00 -0.33 -4.85 105.19 102.87 2k0f n GLY 109 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 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 3.65 -0.42 1.61 0.41 0.38 -4.86 118.70 119.47 2k0f s GLU 110 Ca 0.00 -0.53 -0.12 0.00 -0.41 0.00 0.00 54.97 53.91 2k0f s GLU 110 Cb 0.00 -3.75 0.05 0.00 -1.78 0.00 0.00 34.13 28.66 2k0f s GLU 110 CO 0.00 -0.35 0.29 0.21 -0.49 0.00 0.00 175.26 174.92 2k0f s LYS 111 N 1.73 2.82 0.63 1.61 2.20 -1.26 -1.78 119.74 125.70 2k0f s LYS 111 Ca 0.06 -1.26 -0.15 0.00 -0.36 0.00 0.00 55.97 54.26 2k0f s LYS 111 Cb -0.17 -3.89 -0.01 0.00 -1.51 0.00 0.00 37.83 32.25 2k0f s LYS 111 CO 0.11 -0.87 1.08 -0.51 -0.36 0.00 0.00 175.35 174.80 2k0f s LEU 112 N 1.56 3.42 0.77 5.43 1.43 -1.26 -5.06 118.68 124.96 2k0f s LEU 112 Ca 0.03 1.90 -0.07 0.00 -1.03 0.00 0.00 54.13 54.96 2k0f s LEU 112 Cb -0.22 -4.54 0.12 0.00 0.03 0.00 0.00 46.19 41.58 2k0f s LEU 112 CO 0.06 -1.42 1.07 0.42 0.23 0.00 0.00 176.35 176.71 2k0f s THR 113 N -2.43 2.18 0.43 5.49 -4.23 -1.26 -4.98 115.64 110.84 2k0f s THR 113 Ca 0.65 -0.33 0.25 0.00 -1.18 0.00 0.00 61.69 61.08 2k0f s THR 113 Cb -0.18 -2.84 0.27 0.00 1.34 0.00 0.00 72.50 71.09 2k0f s THR 113 CO 0.40 0.00 2.07 0.44 -0.54 0.00 0.00 174.62 176.99 2k0f h ASP 114 N -0.81 0.00 0.11 3.99 5.19 -2.02 -3.08 116.42 119.81 2k0f h ASP 114 Ca -0.42 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 55.99 2k0f h ASP 114 Cb 1.28 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.78 2k0f h ASP 114 CO 0.47 0.13 -0.08 -0.33 -3.12 0.00 0.00 179.24 176.31 2k0f h GLU 115 N 0.00 -0.19 -0.43 3.56 3.07 -2.00 -3.18 114.58 115.42 2k0f h GLU 115 Ca -0.00 0.01 -0.15 0.00 -0.50 0.00 0.00 59.36 58.72 2k0f h GLU 115 Cb 0.31 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 2k0f h GLU 115 CO 0.02 -0.12 -0.32 0.93 -1.40 0.00 0.00 179.01 178.11 2k0f h GLU 116 N -0.19 0.97 -0.43 2.33 5.08 -1.92 -2.95 114.58 117.47 2k0f h GLU 116 Ca -0.01 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2k0f h GLU 116 Cb 0.17 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2k0f h GLU 116 CO -0.00 1.14 0.28 0.28 -1.00 0.00 0.00 179.01 179.71 2k0f h VAL 117 N 0.81 1.11 -0.77 3.13 2.07 -1.59 -2.47 116.25 118.55 2k0f h VAL 117 Ca 0.08 -0.22 0.14 0.00 0.82 0.00 0.00 66.70 67.52 2k0f h VAL 117 Cb 0.91 0.49 -0.09 0.00 -1.52 0.00 0.00 31.29 31.08 2k0f h VAL 117 CO 0.08 0.11 0.33 -0.78 0.02 0.00 0.00 177.57 177.34 2k0f h ASP 118 N 0.58 0.34 -0.00 0.57 1.82 -1.58 -1.64 116.42 116.51 2k0f h ASP 118 Ca 0.16 0.10 -0.00 0.00 -0.39 0.00 0.00 57.03 56.90 2k0f h ASP 118 Cb -0.06 0.06 -0.00 0.00 0.68 0.00 0.00 39.33 40.02 2k0f h ASP 118 CO -0.03 0.14 -0.00 -0.08 -1.61 0.00 0.00 179.24 177.65 2k0f h GLU 119 N 0.49 0.01 0.16 0.28 4.57 -1.27 -2.14 114.58 116.69 2k0f h GLU 119 Ca 0.42 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.60 2k0f h GLU 119 Cb 0.61 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.18 2k0f h GLU 119 CO -0.38 0.44 -0.31 0.52 -1.18 0.00 0.00 179.01 178.10 2k0f h MET 120 N -0.42 -0.49 -0.60 1.92 2.86 -1.47 0.04 114.93 116.76 2k0f h MET 120 Ca 0.00 0.03 0.07 0.00 -2.06 0.00 0.00 59.70 57.74 2k0f h MET 120 Cb 0.44 0.11 -0.10 0.00 0.06 0.00 0.00 31.60 32.11 2k0f h MET 120 CO 0.00 -0.33 -0.55 0.82 1.06 0.00 0.00 176.91 177.92 2k0f h ILE 121 N -0.51 0.01 0.00 -1.22 1.08 -1.37 -2.29 117.51 113.22 2k0f h ILE 121 Ca -0.02 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 2k0f h ILE 121 Cb 0.48 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.24 2k0f h ILE 121 CO -0.12 0.00 0.00 -2.11 -0.69 0.00 0.00 178.15 175.23 2k0f n ARG 122 N -5.35 0.69 0.01 2.37 1.85 -0.80 -1.20 116.66 114.23 2k0f n ARG 122 Ca -0.01 0.01 -0.18 0.00 -1.00 0.00 0.00 57.85 56.68 2k0f n ARG 122 Cb 0.32 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 30.12 2k0f n ARG 122 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 2k0f h GLU 123 N 0.00 0.37 -0.05 2.89 4.81 -0.70 -3.37 114.58 118.54 2k0f h GLU 123 Ca 0.00 -0.42 -0.03 0.00 -0.13 0.00 0.00 59.36 58.77 2k0f h GLU 123 Cb 0.05 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.56 2k0f h GLU 123 CO 0.00 1.11 -0.11 0.00 -0.73 0.00 0.00 179.01 179.28 2k0f h ALA 124 N 0.27 0.08 -2.14 2.92 0.00 -1.05 -3.46 119.26 115.88 2k0f h ALA 124 Ca -0.08 -0.34 -0.56 0.00 0.00 0.00 0.00 54.91 53.93 2k0f h ALA 124 Cb 1.33 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 2k0f h ALA 124 CO 0.12 -0.05 1.05 0.34 0.00 0.00 0.00 179.25 180.71 2k0f s ASP 125 N -6.01 6.63 -0.04 0.00 -1.08 -0.34 -4.70 116.67 111.14 2k0f s ASP 125 Ca -0.15 1.84 -0.14 0.00 -0.52 0.00 0.00 52.55 53.57 2k0f s ASP 125 Cb 0.02 -2.53 -0.31 0.00 -1.46 0.00 0.00 42.92 38.64 2k0f s ASP 125 CO 0.72 -1.01 0.74 0.40 0.52 0.00 0.00 175.17 176.54 2k0f h ILE 126 N 5.78 1.09 0.00 4.11 2.04 -1.89 -3.41 117.51 125.23 2k0f h ILE 126 Ca -0.33 -2.53 -0.15 0.00 1.00 0.00 0.00 64.86 62.84 2k0f h ILE 126 Cb 1.15 2.87 -0.02 0.00 -0.74 0.00 0.00 36.82 40.07 2k0f h ILE 126 CO 0.98 0.80 -0.88 -2.24 0.00 0.00 0.00 178.15 176.81 2k0f h ASP 127 N -0.02 0.00 0.00 1.72 3.04 -1.96 -3.48 116.42 115.73 2k0f h ASP 127 Ca -0.30 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.49 2k0f h ASP 127 Cb 2.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.29 2k0f h ASP 127 CO 0.17 0.67 0.00 0.61 -2.04 0.00 0.00 179.24 178.65 2k0f n GLY 128 N 1.31 0.88 0.09 7.15 0.00 -1.26 -5.02 105.19 108.34 2k0f n GLY 128 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.48 116.42 115.65 2k0f h ASP 129 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 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 0.84 0.00 0.61 -2.04 0.00 0.00 179.24 178.65 2k0f n GLY 130 N 1.32 0.76 3.23 7.15 0.00 -1.26 -5.05 105.19 111.35 2k0f n GLY 130 Ca -0.00 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.54 2.90 -0.59 1.61 -0.21 -1.26 -4.32 119.66 117.25 2k0f s GLN 131 Ca 0.00 -2.13 -0.26 0.00 0.02 0.00 0.00 55.36 52.98 2k0f s GLN 131 Cb 0.00 -4.08 0.04 0.00 1.00 0.00 0.00 33.01 29.96 2k0f s GLN 131 CO 0.00 -1.24 1.09 0.08 -2.12 0.00 0.00 175.29 173.10 2k0f s VAL 132 N 0.72 4.16 0.87 1.09 1.01 -0.34 -4.74 120.40 123.17 2k0f s VAL 132 Ca 0.11 0.54 -0.09 0.00 0.00 0.00 0.00 61.98 62.55 2k0f s VAL 132 Cb -0.21 -4.67 0.19 0.00 0.00 0.00 0.00 36.38 31.70 2k0f s VAL 132 CO -0.03 -1.30 1.19 -0.46 0.00 0.00 0.00 175.10 174.49 2k0f n ASN 133 N 8.09 0.75 -0.29 3.32 0.23 -1.26 -0.40 115.26 125.69 2k0f n ASN 133 Ca 0.05 -1.83 -0.04 0.00 -0.53 0.00 0.00 54.58 52.22 2k0f n ASN 133 Cb 0.48 -0.85 0.07 0.00 -2.08 0.00 0.00 39.78 37.41 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 -1.20 1.02 -0.69 -2.53 3.20 -1.95 0.19 116.97 115.02 2k0f h TYR 134 Ca -0.39 0.02 0.09 0.00 3.14 0.00 0.00 58.73 61.59 2k0f h TYR 134 Cb 1.23 -0.34 -0.07 0.00 1.54 0.00 0.00 36.73 39.09 2k0f h TYR 134 CO 0.00 0.65 0.33 1.49 -1.64 0.00 0.00 178.16 179.00 2k0f h GLU 135 N 1.09 0.56 -0.15 1.82 4.81 -1.95 0.21 114.58 120.97 2k0f h GLU 135 Ca 0.29 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.46 2k0f h GLU 135 Cb -0.10 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.15 2k0f h GLU 135 CO -0.06 0.37 -0.02 0.93 -0.73 0.00 0.00 179.01 179.50 2k0f h GLU 136 N 0.57 0.28 -0.57 1.92 5.08 -1.55 -3.12 114.58 117.19 2k0f h GLU 136 Ca 0.34 -0.10 0.09 0.00 -1.00 0.00 0.00 59.36 58.69 2k0f h GLU 136 Cb 0.36 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.52 2k0f h GLU 136 CO -0.27 0.53 0.18 0.35 -1.00 0.00 0.00 179.01 178.80 2k0f h PHE 137 N -0.01 0.30 -0.56 4.33 3.57 0.37 -1.22 116.94 123.72 2k0f h PHE 137 Ca 0.04 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.59 2k0f h PHE 137 Cb 0.42 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 2k0f h PHE 137 CO 0.04 0.06 0.35 0.28 -2.23 0.00 0.00 178.31 176.81 2k0f h VAL 138 N 0.34 1.08 0.00 1.41 2.07 -0.61 0.19 116.25 120.73 2k0f h VAL 138 Ca 0.29 -0.24 -0.13 0.00 0.82 0.00 0.00 66.70 67.44 2k0f h VAL 138 Cb 0.36 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2k0f h VAL 138 CO -0.32 0.13 -0.60 -0.61 0.02 0.00 0.00 177.57 176.19 2k0f h GLN 139 N 0.69 0.00 -0.39 1.57 5.75 -1.47 -0.67 115.11 120.60 2k0f h GLN 139 Ca 0.22 0.00 -0.12 0.00 -0.15 0.00 0.00 58.65 58.60 2k0f h GLN 139 Cb -0.00 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 2k0f h GLN 139 CO -0.09 0.60 -0.23 1.98 -2.65 0.00 0.00 178.83 178.44 2k0f h MET 140 N 0.00 0.85 0.19 1.69 4.05 -0.79 -3.38 114.93 117.53 2k0f h MET 140 Ca -0.01 -0.39 -0.01 0.00 -0.28 0.00 0.00 59.70 59.01 2k0f h MET 140 Cb 1.10 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.89 2k0f h MET 140 CO 0.08 1.03 -0.09 1.98 0.23 0.00 0.00 176.91 180.14 2k0f h MET 141 N 0.66 -0.24 -0.02 0.39 1.85 0.02 -3.51 114.93 114.07 2k0f h MET 141 Ca 0.08 0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.19 2k0f h MET 141 Cb 0.80 0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.89 2k0f h MET 141 CO 0.07 -0.16 0.00 2.41 -0.40 0.00 0.00 176.91 178.82