#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 -0.94 -0.78 5.08 -2.04 0.19 114.58 116.08 2k0f h GLU 2 Ca 0.00 0.00 0.11 0.00 -1.00 0.00 0.00 59.36 58.47 2k0f h GLU 2 Cb 0.00 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 2k0f h GLU 2 CO 0.00 0.36 0.60 0.93 -1.00 0.00 0.00 179.01 179.90 2k0f h GLU 3 N 0.00 0.89 0.06 2.33 5.08 -2.05 -0.85 114.58 120.04 2k0f h GLU 3 Ca -0.00 -0.05 -0.34 0.00 -1.00 0.00 0.00 59.36 57.96 2k0f h GLU 3 Cb 0.66 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.67 2k0f h GLU 3 CO 0.05 0.59 -2.00 1.04 -1.00 0.00 0.00 179.01 177.69 2k0f n GLN 4 N -4.56 0.70 -0.17 2.33 3.00 0.63 -1.44 117.38 117.87 2k0f n GLN 4 Ca 0.17 0.24 -0.10 0.00 -0.01 0.00 0.00 57.00 57.29 2k0f n GLN 4 Cb 0.34 -1.70 0.00 0.00 0.00 0.00 0.00 30.24 28.89 2k0f n GLN 4 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 2k0f h ILE 5 N 0.03 1.27 -0.65 5.09 1.08 -1.50 0.70 117.51 123.53 2k0f h ILE 5 Ca -0.41 -1.19 0.10 0.00 -0.39 0.00 0.00 64.86 62.97 2k0f h ILE 5 Cb 2.03 1.03 -0.11 0.00 -3.07 0.00 0.00 36.82 36.70 2k0f h ILE 5 CO 0.06 0.41 -0.42 0.00 -0.69 0.00 0.00 178.15 177.51 2k0f h ALA 6 N 0.91 -0.24 -0.17 1.87 0.00 -1.22 -0.97 119.26 119.44 2k0f h ALA 6 Ca 0.13 0.14 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 2k0f h ALA 6 Cb 0.61 0.96 -0.01 0.00 0.00 0.00 0.00 17.79 19.35 2k0f h ALA 6 CO 0.04 -0.79 -0.42 1.49 0.00 0.00 0.00 179.25 179.57 2k0f h GLU 7 N -0.18 0.40 -0.33 0.00 4.81 -0.96 -2.40 114.58 115.91 2k0f h GLU 7 Ca 0.21 -0.20 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 2k0f h GLU 7 Cb 0.56 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 2k0f h GLU 7 CO -0.73 0.75 -0.44 0.35 -0.73 0.00 0.00 179.01 178.21 2k0f h PHE 8 N 0.33 1.05 0.00 0.92 3.57 -0.72 -2.83 116.94 119.26 2k0f h PHE 8 Ca 0.03 -0.33 -0.02 0.00 3.53 0.00 0.00 57.97 61.17 2k0f h PHE 8 Cb 0.88 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.40 2k0f h PHE 8 CO 0.03 1.15 -0.11 -0.22 -2.23 0.00 0.00 178.31 176.93 2k0f h LYS 9 N 0.69 0.00 -0.45 1.11 3.64 -1.11 0.22 116.57 120.68 2k0f h LYS 9 Ca 0.04 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 2k0f h LYS 9 Cb 1.03 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 2k0f h LYS 9 CO 0.10 0.11 0.17 0.93 -2.27 0.00 0.00 179.45 178.49 2k0f h GLU 10 N 0.00 0.67 -0.14 1.90 4.39 -1.18 -1.90 114.58 118.32 2k0f h GLU 10 Ca -0.00 -0.13 -0.23 0.00 0.34 0.00 0.00 59.36 59.35 2k0f h GLU 10 Cb 0.23 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2k0f h GLU 10 CO 0.01 0.62 -0.80 0.00 -1.16 0.00 0.00 179.01 177.69 2k0f h ALA 11 N 1.02 0.31 -0.86 3.43 0.00 -0.96 -3.20 119.26 118.99 2k0f h ALA 11 Ca 0.15 -0.61 0.17 0.00 0.00 0.00 0.00 54.91 54.62 2k0f h ALA 11 Cb 0.21 -0.01 -0.16 0.00 0.00 0.00 0.00 17.79 17.83 2k0f h ALA 11 CO -0.01 0.69 -0.22 0.35 0.00 0.00 0.00 179.25 180.05 2k0f h PHE 12 N 0.53 -0.48 0.00 0.00 3.04 -1.04 -2.88 116.94 116.10 2k0f h PHE 12 Ca -0.06 0.08 0.00 0.00 3.98 0.00 0.00 57.97 61.97 2k0f h PHE 12 Cb 1.43 0.35 0.00 0.00 2.56 0.00 0.00 35.95 40.29 2k0f h PHE 12 CO 0.09 -0.37 0.00 0.77 -2.02 0.00 0.00 178.31 176.77 2k0f h SER 13 N -0.00 0.00 0.26 0.41 0.02 -1.33 -0.66 113.55 112.24 2k0f h SER 13 Ca 0.41 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.24 2k0f h SER 13 Cb 0.63 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 2k0f h SER 13 CO -0.89 0.00 -0.46 -0.07 -1.14 0.00 0.00 176.83 174.27 2k0f h LEU 14 N 0.00 0.27 0.00 5.07 3.38 -1.63 -3.33 115.31 119.07 2k0f h LEU 14 Ca 0.00 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2k0f h LEU 14 Cb 0.55 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.23 2k0f h LEU 14 CO 0.00 0.70 -0.19 -0.26 0.09 0.00 0.00 178.44 178.78 2k0f h PHE 15 N 0.21 0.00 -0.22 1.13 -1.00 -1.45 -3.42 116.94 112.19 2k0f h PHE 15 Ca 0.01 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.73 2k0f h PHE 15 Cb 0.90 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.45 2k0f h PHE 15 CO 0.02 0.00 0.18 0.34 -1.61 0.00 0.00 178.31 177.24 2k0f s ASP 16 N -5.40 3.73 0.15 2.17 2.15 -0.34 -4.69 116.67 114.44 2k0f s ASP 16 Ca -0.06 -0.83 -0.15 0.00 0.43 0.00 0.00 52.55 51.94 2k0f s ASP 16 Cb 0.01 -2.59 0.02 0.00 -0.30 0.00 0.00 42.92 40.07 2k0f s ASP 16 CO 0.08 -4.36 1.77 0.11 -0.17 0.00 0.00 175.17 172.60 2k0f h LYS 17 N 11.63 0.62 0.03 4.34 1.79 -1.82 -3.35 116.57 129.82 2k0f h LYS 17 Ca 0.03 -0.07 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2k0f h LYS 17 Cb 0.99 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.52 2k0f h LYS 17 CO 1.04 0.48 -0.02 0.38 -1.08 0.00 0.00 179.45 180.25 2k0f h ASP 18 N 0.59 -0.04 0.00 0.86 3.04 -1.92 -3.49 116.42 115.46 2k0f h ASP 18 Ca 0.16 -0.25 0.00 0.00 -3.24 0.00 0.00 57.03 53.69 2k0f h ASP 18 Cb 0.03 0.01 0.00 0.00 -1.04 0.00 0.00 39.33 38.33 2k0f h ASP 18 CO -0.03 0.58 0.00 0.61 -2.04 0.00 0.00 179.24 178.36 2k0f n GLY 19 N 1.59 0.51 0.01 7.15 0.00 -1.26 -5.05 105.19 108.14 2k0f n GLY 19 Ca -0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 0.75 0.00 1.61 5.68 -1.26 -4.94 116.55 118.39 2k0f n ASP 20 Ca 0.00 -0.61 0.00 0.00 -0.50 0.00 0.00 54.79 53.68 2k0f n ASP 20 Cb 0.00 0.58 0.00 0.00 -1.14 0.00 0.00 41.12 40.56 2k0f n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 21 N 1.50 0.65 2.93 6.12 0.00 -1.26 -5.04 105.19 110.09 2k0f n GLY 21 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.53 1.26 -0.43 2.61 -4.23 -1.26 -3.08 115.64 107.98 2k0f s THR 22 Ca 0.00 -0.65 -0.29 0.00 -1.18 0.00 0.00 61.69 59.57 2k0f s THR 22 Cb 0.00 -1.35 0.02 0.00 1.34 0.00 0.00 72.50 72.51 2k0f s THR 22 CO 0.00 0.22 1.17 -0.63 -0.54 0.00 0.00 174.62 174.84 2k0f s ILE 23 N 1.58 4.22 0.58 2.99 1.01 0.19 -4.83 121.20 126.94 2k0f s ILE 23 Ca 0.02 1.29 -0.07 0.00 0.00 0.00 0.00 60.65 61.89 2k0f s ILE 23 Cb -0.15 -4.49 -0.01 0.00 0.01 0.00 0.00 42.46 37.83 2k0f s ILE 23 CO -0.08 -0.84 0.91 0.42 0.00 0.00 0.00 174.94 175.35 2k0f s THR 24 N 4.42 4.11 0.28 2.92 -4.23 -1.26 -2.00 115.64 119.88 2k0f s THR 24 Ca 0.50 0.22 0.01 0.00 -1.18 0.00 0.00 61.69 61.23 2k0f s THR 24 Cb -0.10 -3.62 0.27 0.00 1.34 0.00 0.00 72.50 70.40 2k0f s THR 24 CO 0.28 -0.67 1.82 0.71 -0.54 0.00 0.00 174.62 176.22 2k0f h THR 25 N -0.14 0.87 -0.40 3.99 1.35 -1.93 -1.33 112.91 115.32 2k0f h THR 25 Ca -0.46 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 2k0f h THR 25 Cb 1.23 -0.11 -0.02 0.00 -1.73 0.00 0.00 68.15 67.52 2k0f h THR 25 CO 0.61 0.16 0.25 0.11 -0.25 0.00 0.00 175.52 176.41 2k0f h LYS 26 N 0.90 0.53 -0.36 4.72 1.57 -1.97 -2.04 116.57 119.92 2k0f h LYS 26 Ca 0.49 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.22 2k0f h LYS 26 Cb 0.55 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 2k0f h LYS 26 CO -0.29 0.37 0.16 0.93 -0.57 0.00 0.00 179.45 180.05 2k0f h GLU 27 N 0.53 0.53 0.80 3.15 5.08 -1.74 -2.68 114.58 120.25 2k0f h GLU 27 Ca 0.14 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 2k0f h GLU 27 Cb -0.04 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.13 2k0f h GLU 27 CO -0.03 0.50 -0.38 1.25 -1.00 0.00 0.00 179.01 179.34 2k0f h LEU 28 N 0.44 -0.91 -0.00 1.33 5.85 -1.30 -2.19 115.31 118.53 2k0f h LEU 28 Ca 0.12 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.89 2k0f h LEU 28 Cb 0.15 0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 2k0f h LEU 28 CO -0.01 -0.61 -0.21 1.23 -0.34 0.00 0.00 178.44 178.50 2k0f h GLY 29 N -1.14 -0.29 -0.78 3.75 0.00 -1.47 -1.73 103.07 101.40 2k0f h GLY 29 Ca -0.11 0.25 0.16 0.00 0.00 0.00 0.00 47.33 47.63 2k0f h GLY 29 CO 0.18 -0.19 -0.18 2.41 0.00 0.00 0.00 176.54 178.76 2k0f n THR 30 N -5.34 -0.33 0.05 4.70 -1.04 -1.01 -1.03 114.28 110.29 2k0f n THR 30 Ca -0.05 1.78 -0.13 0.00 -2.04 0.00 0.00 64.05 63.62 2k0f n THR 30 Cb 0.25 -2.48 -0.09 0.00 -1.82 0.00 0.00 70.33 66.20 2k0f n THR 30 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2k0f h VAL 31 N 0.00 1.08 -0.43 12.58 2.07 -0.85 -2.76 116.25 127.94 2k0f h VAL 31 Ca 0.38 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2k0f h VAL 31 Cb 0.60 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.97 2k0f h VAL 31 CO -0.80 0.21 0.28 0.24 0.02 0.00 0.00 177.57 177.52 2k0f h MET 32 N -0.56 0.56 -0.36 1.57 2.86 -0.94 -2.01 114.93 116.05 2k0f h MET 32 Ca -0.02 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.64 2k0f h MET 32 Cb 0.45 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 2k0f h MET 32 CO 0.03 0.38 0.24 0.00 1.06 0.00 0.00 176.91 178.62 2k0f h ARG 33 N 0.57 0.25 -0.42 1.72 3.08 -0.75 0.03 114.38 118.86 2k0f h ARG 33 Ca 0.16 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.11 2k0f h ARG 33 Cb -0.06 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 2k0f h ARG 33 CO -0.03 0.17 -0.06 1.03 -1.07 0.00 0.00 179.97 180.01 2k0f h SER 34 N 0.26 0.70 -0.05 7.04 0.87 -1.07 -2.99 113.55 118.30 2k0f h SER 34 Ca 0.16 -0.18 -0.09 0.00 -1.23 0.00 0.00 61.79 60.44 2k0f h SER 34 Cb 0.29 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2k0f h SER 34 CO -0.03 0.80 -0.34 -0.07 -0.53 0.00 0.00 176.83 176.66 2k0f h LEU 35 N 0.67 0.39 0.00 2.23 3.38 -0.70 -3.46 115.31 117.81 2k0f h LEU 35 Ca 0.12 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.42 2k0f h LEU 35 Cb 0.49 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2k0f h LEU 35 CO 0.03 1.00 0.00 0.61 0.09 0.00 0.00 178.44 180.17 2k0f n GLY 36 N 0.77 0.00 2.75 0.83 0.00 -0.12 -5.12 105.19 104.30 2k0f n GLY 36 Ca -0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 0.12 -0.62 1.61 -1.52 -0.83 -4.93 119.66 113.49 2k0f s GLN 37 Ca 0.00 0.21 0.06 0.00 -1.95 0.00 0.00 55.36 53.68 2k0f s GLN 37 Cb 0.00 -0.49 0.28 0.00 -0.22 0.00 0.00 33.01 32.58 2k0f s GLN 37 CO 0.00 -0.23 0.81 -1.71 -0.25 0.00 0.00 175.29 173.91 2k0f n ASN 38 N 4.65 3.95 -4.71 5.90 5.15 -1.26 -2.47 115.26 126.48 2k0f n ASN 38 Ca -0.17 -3.51 -0.29 0.00 -0.60 0.00 0.00 54.58 50.01 2k0f n ASN 38 Cb 0.50 -0.64 0.14 0.00 -0.53 0.00 0.00 39.78 39.26 2k0f n ASN 38 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2k0f s PRO 39 N -2.77 1.04 0.51 1.20 0.04 -1.26 -5.07 135.00 128.68 2k0f s PRO 39 Ca 0.43 0.23 0.04 0.00 0.04 0.00 0.00 61.00 61.74 2k0f s PRO 39 Cb 0.19 -1.83 0.03 0.00 0.04 0.00 0.00 34.50 32.93 2k0f s PRO 39 CO -0.05 -2.25 0.70 0.95 0.04 0.00 0.00 177.00 176.39 2k0f s THR 40 N -3.31 2.77 0.21 1.26 -4.23 -1.26 -4.93 115.64 106.15 2k0f s THR 40 Ca 0.65 -0.80 -0.00 0.00 -1.18 0.00 0.00 61.69 60.35 2k0f s THR 40 Cb -0.14 -2.96 -0.04 0.00 1.34 0.00 0.00 72.50 70.69 2k0f s THR 40 CO 0.53 0.00 1.54 -0.33 -0.54 0.00 0.00 174.62 175.82 2k0f h GLU 41 N 0.28 0.43 -0.76 3.99 4.39 -1.97 0.53 114.58 121.47 2k0f h GLU 41 Ca -0.41 -0.28 -0.04 0.00 0.34 0.00 0.00 59.36 58.98 2k0f h GLU 41 Cb 1.29 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.94 2k0f h GLU 41 CO 0.49 0.87 0.33 0.00 -1.16 0.00 0.00 179.01 179.54 2k0f h ALA 42 N 1.07 0.98 -0.36 3.43 0.00 -1.98 -1.81 119.26 120.60 2k0f h ALA 42 Ca 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 2k0f h ALA 42 Cb 1.08 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2k0f h ALA 42 CO 0.10 0.58 -0.28 0.93 0.00 0.00 0.00 179.25 180.58 2k0f h GLU 43 N 1.09 0.76 -0.32 0.00 5.08 -1.78 -2.22 114.58 117.18 2k0f h GLU 43 Ca 0.26 -0.33 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 2k0f h GLU 43 Cb 0.17 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2k0f h GLU 43 CO -0.03 0.94 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.69 2k0f h LEU 44 N 0.65 0.56 -0.95 1.33 3.38 -0.79 -2.77 115.31 116.72 2k0f h LEU 44 Ca 0.08 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2k0f h LEU 44 Cb 0.80 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2k0f h LEU 44 CO 0.07 0.74 0.00 -0.61 0.09 0.00 0.00 178.44 178.73 2k0f h GLN 45 N 0.51 0.00 0.08 1.13 5.75 -1.27 -1.27 115.11 120.05 2k0f h GLN 45 Ca 0.09 0.00 -0.24 0.00 -0.15 0.00 0.00 58.65 58.34 2k0f h GLN 45 Cb 0.58 0.00 0.02 0.00 1.07 0.00 0.00 27.48 29.15 2k0f h GLN 45 CO 0.04 0.00 -1.00 0.22 -2.65 0.00 0.00 178.83 175.44 2k0f h ASP 46 N 0.00 0.73 -0.64 -0.69 1.82 -1.12 0.05 116.42 116.57 2k0f h ASP 46 Ca 0.00 -0.82 0.11 0.00 -0.39 0.00 0.00 57.03 55.93 2k0f h ASP 46 Cb 0.61 -0.23 -0.04 0.00 0.68 0.00 0.00 39.33 40.35 2k0f h ASP 46 CO 0.00 1.48 0.43 0.24 -1.61 0.00 0.00 179.24 179.78 2k0f h MET 47 N 0.09 0.39 0.25 0.28 2.86 -1.29 -1.38 114.93 116.13 2k0f h MET 47 Ca -0.15 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 2k0f h MET 47 Cb 1.70 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 33.28 2k0f h MET 47 CO 0.19 0.26 -0.12 0.82 1.06 0.00 0.00 176.91 179.12 2k0f h ILE 48 N 0.40 0.18 -0.70 -1.22 2.04 -1.22 -3.36 117.51 113.63 2k0f h ILE 48 Ca 0.30 -0.83 0.20 0.00 1.00 0.00 0.00 64.86 65.53 2k0f h ILE 48 Cb 0.64 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 2k0f h ILE 48 CO -0.09 0.05 0.64 0.78 0.00 0.00 0.00 178.15 179.54 2k0f h ASN 49 N -1.06 0.00 -0.27 1.72 2.35 -0.20 0.33 115.58 118.45 2k0f h ASN 49 Ca -0.03 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 2k0f h ASN 49 Cb 0.34 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 2k0f h ASN 49 CO 0.06 0.00 0.07 -0.08 -1.65 0.00 0.00 177.43 175.83 2k0f h GLU 50 N 0.00 0.43 0.00 0.81 4.57 -1.45 -3.29 114.58 115.66 2k0f h GLU 50 Ca 0.33 -0.10 -0.24 0.00 -1.18 0.00 0.00 59.36 58.17 2k0f h GLU 50 Cb 1.61 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 30.11 2k0f h GLU 50 CO -0.00 0.51 -1.25 -0.39 -1.18 0.00 0.00 179.01 176.70 2k0f h VAL 51 N 0.27 1.41 -0.87 0.32 -1.51 -0.60 -3.47 116.25 111.80 2k0f h VAL 51 Ca 0.09 -3.17 -0.70 0.00 -1.23 0.00 0.00 66.70 61.69 2k0f h VAL 51 Cb 0.27 2.70 -0.02 0.00 -2.13 0.00 0.00 31.29 32.11 2k0f h VAL 51 CO -0.00 0.80 1.37 -0.67 -1.23 0.00 0.00 177.57 177.84 2k0f n ASP 52 N -3.24 1.84 -0.09 4.19 2.03 0.11 -4.91 116.55 116.48 2k0f n ASP 52 Ca -0.06 0.51 -0.15 0.00 0.52 0.00 0.00 54.79 55.60 2k0f n ASP 52 Cb 0.98 -1.18 -0.07 0.00 -0.72 0.00 0.00 41.12 40.13 2k0f n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k0f n ALA 53 N 9.09 0.70 0.31 -1.67 0.00 -1.26 -4.73 120.51 122.95 2k0f n ALA 53 Ca 0.44 -0.53 -0.17 0.00 0.00 0.00 0.00 53.44 53.17 2k0f n ALA 53 Cb 0.16 -0.25 -0.09 0.00 0.00 0.00 0.00 19.45 19.27 2k0f n ALA 53 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2k0f h ASP 54 N -1.00 -0.99 0.00 0.00 3.04 -1.93 -3.48 116.42 112.06 2k0f h ASP 54 Ca -0.23 0.07 0.00 0.00 -3.24 0.00 0.00 57.03 53.63 2k0f h ASP 54 Cb 1.01 0.31 0.00 0.00 -1.04 0.00 0.00 39.33 39.61 2k0f h ASP 54 CO -0.14 -0.57 0.00 0.61 -2.04 0.00 0.00 179.24 177.10 2k0f n GLY 55 N -1.51 0.13 0.08 7.15 0.00 -1.26 -5.06 105.19 104.72 2k0f n GLY 55 Ca -0.12 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.79 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 0.14 0.00 1.61 7.08 -1.95 -3.48 115.58 118.97 2k0f h ASN 56 Ca 0.00 -0.19 0.00 0.00 -3.08 0.00 0.00 56.30 53.03 2k0f h ASN 56 Cb 0.00 -0.04 0.00 0.00 -2.08 0.00 0.00 38.32 36.20 2k0f h ASN 56 CO 0.00 1.16 0.00 0.61 -2.08 0.00 0.00 177.43 177.12 2k0f n GLY 57 N 1.53 0.86 3.73 9.14 0.00 -1.26 -5.08 105.19 114.10 2k0f n GLY 57 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.02 3.33 -0.30 2.61 -4.23 -1.26 -4.77 115.64 109.00 2k0f s THR 58 Ca 0.00 -1.68 -0.12 0.00 -1.18 0.00 0.00 61.69 58.70 2k0f s THR 58 Cb 0.00 -3.01 -0.04 0.00 1.34 0.00 0.00 72.50 70.79 2k0f s THR 58 CO 0.00 -0.24 0.25 -0.63 -0.54 0.00 0.00 174.62 173.45 2k0f s ILE 59 N -2.36 5.27 0.74 2.99 1.01 -0.85 -4.80 121.20 123.20 2k0f s ILE 59 Ca 0.36 0.13 -0.02 0.00 0.00 0.00 0.00 60.65 61.12 2k0f s ILE 59 Cb -0.04 -3.63 0.13 0.00 0.01 0.00 0.00 42.46 38.92 2k0f s ILE 59 CO 0.23 0.14 1.02 -1.81 0.00 0.00 0.00 174.94 174.51 2k0f s ASP 60 N 1.73 4.29 0.08 3.58 1.11 -1.26 0.58 116.67 126.77 2k0f s ASP 60 Ca 0.09 -0.26 -0.22 0.00 0.18 0.00 0.00 52.55 52.34 2k0f s ASP 60 Cb -0.16 -0.13 -0.13 0.00 1.07 0.00 0.00 42.92 43.57 2k0f s ASP 60 CO 0.11 -1.90 1.66 0.15 1.18 0.00 0.00 175.17 176.36 2k0f h PHE 61 N -0.61 0.12 0.00 4.23 3.04 -1.95 -2.97 116.94 118.80 2k0f h PHE 61 Ca -0.38 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.57 2k0f h PHE 61 Cb 1.27 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 39.74 2k0f h PHE 61 CO -0.24 0.18 0.00 -1.00 -2.02 0.00 0.00 178.31 175.23 2k0f h PRO 62 N 0.02 0.00 0.03 6.41 0.13 -1.97 -2.98 132.00 133.65 2k0f h PRO 62 Ca 0.03 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.94 2k0f h PRO 62 Cb 0.10 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.25 2k0f h PRO 62 CO -0.00 0.00 -0.89 0.93 -0.23 0.00 0.00 178.00 177.81 2k0f h GLU 63 N 0.00 0.55 -0.16 0.86 5.08 -1.89 -2.71 114.58 116.30 2k0f h GLU 63 Ca 0.00 -0.63 -0.04 0.00 -1.00 0.00 0.00 59.36 57.69 2k0f h GLU 63 Cb 0.48 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 2k0f h GLU 63 CO 0.00 1.24 -0.05 0.35 -1.00 0.00 0.00 179.01 179.56 2k0f h PHE 64 N 0.12 0.36 -0.38 4.33 3.57 -1.59 -3.21 116.94 120.15 2k0f h PHE 64 Ca -0.12 -0.08 0.04 0.00 3.53 0.00 0.00 57.97 61.34 2k0f h PHE 64 Cb 1.58 -0.09 -0.07 0.00 2.79 0.00 0.00 35.95 40.16 2k0f h PHE 64 CO 0.13 0.60 -0.48 1.25 -2.23 0.00 0.00 178.31 177.59 2k0f h LEU 65 N 0.01 -1.61 -2.22 0.59 5.85 -1.63 -2.20 115.31 114.11 2k0f h LEU 65 Ca 0.04 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.97 2k0f h LEU 65 Cb 0.49 0.66 0.00 0.00 0.37 0.00 0.00 40.66 42.19 2k0f h LEU 65 CO 0.02 -0.33 0.03 0.71 -0.34 0.00 0.00 178.44 178.52 2k0f h THR 66 N -0.32 0.00 0.21 1.05 1.35 -1.57 0.45 112.91 114.08 2k0f h THR 66 Ca 0.07 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.92 2k0f h THR 66 Cb 0.50 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 2k0f h THR 66 CO -0.53 0.00 -0.10 -0.03 -0.25 0.00 0.00 175.52 174.61 2k0f h MET 67 N 0.00 -0.27 0.33 4.72 1.85 -1.45 -3.33 114.93 116.79 2k0f h MET 67 Ca 0.00 0.02 -0.02 0.00 -0.61 0.00 0.00 59.70 59.09 2k0f h MET 67 Cb 0.06 0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.15 2k0f h MET 67 CO 0.00 0.11 -0.16 0.52 -0.40 0.00 0.00 176.91 176.99 2k0f h MET 68 N -0.77 -0.42 0.00 0.39 2.07 -0.73 -3.13 114.93 112.33 2k0f h MET 68 Ca -0.03 0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 2k0f h MET 68 Cb 0.51 0.10 0.00 0.00 -1.87 0.00 0.00 31.60 30.34 2k0f h MET 68 CO 0.05 -0.12 0.00 0.00 1.07 0.00 0.00 176.91 177.91 2k0f n ALA 69 N -2.62 2.13 -2.06 6.32 0.00 0.15 -4.74 120.51 119.68 2k0f n ALA 69 Ca -0.08 -0.01 -0.40 0.00 0.00 0.00 0.00 53.44 52.95 2k0f n ALA 69 Cb 0.26 -1.03 -0.05 0.00 0.00 0.00 0.00 19.45 18.62 2k0f n ALA 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k0f s ARG 70 N -2.00 4.69 -0.17 0.00 3.52 -1.18 -4.99 118.95 118.81 2k0f s ARG 70 Ca 0.03 1.34 -0.22 0.00 -0.13 0.00 0.00 55.73 56.75 2k0f s ARG 70 Cb 0.01 -3.32 -0.03 0.00 -1.56 0.00 0.00 34.95 30.06 2k0f s ARG 70 CO 0.02 0.41 0.66 0.21 -0.81 0.00 0.00 175.30 175.79 2k0f s LYS 71 N -0.65 4.26 0.92 5.12 2.20 -1.26 -5.03 119.74 125.29 2k0f s LYS 71 Ca 0.41 0.70 -0.14 0.00 -0.36 0.00 0.00 55.97 56.58 2k0f s LYS 71 Cb -0.24 -3.55 0.18 0.00 -1.51 0.00 0.00 37.83 32.71 2k0f s LYS 71 CO 0.29 -0.19 1.27 -1.64 -0.36 0.00 0.00 175.35 174.71 2k0f s MET 72 N 1.73 0.88 0.90 4.03 -1.94 -1.26 -5.10 119.30 118.54 2k0f s MET 72 Ca 0.31 -0.47 -0.12 0.00 -1.71 0.00 0.00 55.69 53.70 2k0f s MET 72 Cb -0.16 -1.92 0.20 0.00 2.01 0.00 0.00 34.83 34.96 2k0f s MET 72 CO 0.12 -2.22 1.23 1.63 -0.01 0.00 0.00 175.02 175.76 2k0f n LYS 73 N -3.61 -0.97 0.26 2.03 5.02 -1.26 -4.91 118.16 114.72 2k0f n LYS 73 Ca 0.15 -2.21 -0.15 0.00 -2.02 0.00 0.00 58.31 54.07 2k0f n LYS 73 Cb 0.60 -1.17 -0.08 0.00 -0.02 0.00 0.00 35.03 34.36 2k0f n LYS 73 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2k0f h ASP 74 N -1.42 -0.55 -0.31 4.39 3.32 -1.99 -1.07 116.42 118.78 2k0f h ASP 74 Ca -0.40 -0.04 -0.18 0.00 0.02 0.00 0.00 57.03 56.43 2k0f h ASP 74 Cb 1.18 0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.87 2k0f h ASP 74 CO 0.31 -0.29 -0.51 0.74 -1.72 0.00 0.00 179.24 177.78 2k0f h THR 75 N -0.79 1.27 0.14 0.35 2.02 -1.98 -1.34 112.91 112.58 2k0f h THR 75 Ca -0.07 -1.69 0.01 0.00 0.77 0.00 0.00 66.41 65.44 2k0f h THR 75 Cb 0.56 1.56 -0.05 0.00 -1.74 0.00 0.00 68.15 68.48 2k0f h THR 75 CO 0.11 0.56 -0.50 0.44 0.37 0.00 0.00 175.52 176.49 2k0f h ASP 76 N 0.70 -1.49 -0.79 4.18 3.32 -1.97 0.10 116.42 120.47 2k0f h ASP 76 Ca 0.03 0.16 0.16 0.00 0.02 0.00 0.00 57.03 57.39 2k0f h ASP 76 Cb 1.12 0.55 -0.15 0.00 0.22 0.00 0.00 39.33 41.07 2k0f h ASP 76 CO 0.12 -0.55 -0.19 -1.28 -1.72 0.00 0.00 179.24 175.62 2k0f h SER 77 N -0.74 -0.72 -0.36 6.45 0.87 -1.11 0.45 113.55 118.40 2k0f h SER 77 Ca 0.00 0.24 -0.02 0.00 -1.23 0.00 0.00 61.79 60.78 2k0f h SER 77 Cb 0.75 0.48 -0.02 0.00 -0.44 0.00 0.00 62.40 63.18 2k0f h SER 77 CO -0.27 -0.26 0.15 -0.08 -0.53 0.00 0.00 176.83 175.85 2k0f h GLU 78 N 0.00 0.52 -0.15 2.24 4.81 -1.07 -2.67 114.58 118.26 2k0f h GLU 78 Ca 0.38 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 59.43 2k0f h GLU 78 Cb 0.59 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 2k0f h GLU 78 CO -0.81 0.49 -0.34 0.93 -0.73 0.00 0.00 179.01 178.55 2k0f h GLU 79 N 0.43 0.31 0.14 1.92 4.39 -0.23 -2.74 114.58 118.79 2k0f h GLU 79 Ca 0.12 -0.13 0.02 0.00 0.34 0.00 0.00 59.36 59.71 2k0f h GLU 79 Cb 0.16 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 2k0f h GLU 79 CO -0.01 0.62 -0.26 1.49 -1.16 0.00 0.00 179.01 179.69 2k0f h GLU 80 N 0.27 -0.46 0.00 2.33 4.81 0.21 0.15 114.58 121.89 2k0f h GLU 80 Ca 0.03 0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 2k0f h GLU 80 Cb 0.74 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 2k0f h GLU 80 CO 0.06 -0.30 -0.17 0.97 -0.73 0.00 0.00 179.01 178.83 2k0f h ILE 81 N -0.47 0.61 -0.01 2.32 6.09 -1.60 -2.88 117.51 121.58 2k0f h ILE 81 Ca 0.02 -0.75 -0.05 0.00 -1.37 0.00 0.00 64.86 62.71 2k0f h ILE 81 Cb 0.49 1.49 0.00 0.00 0.47 0.00 0.00 36.82 39.27 2k0f h ILE 81 CO -0.13 0.17 -0.19 -0.09 -3.07 0.00 0.00 178.15 174.83 2k0f h ARG 82 N 0.00 0.14 -0.00 2.19 2.43 -1.13 -3.16 114.38 114.84 2k0f h ARG 82 Ca -0.00 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 2k0f h ARG 82 Cb 0.47 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2k0f h ARG 82 CO 0.02 0.88 -0.01 0.39 -1.51 0.00 0.00 179.97 179.74 2k0f n GLU 83 N -4.55 1.08 0.11 0.20 -0.58 0.48 -1.26 120.64 116.11 2k0f n GLU 83 Ca -0.10 -0.25 0.12 0.00 -0.42 0.00 0.00 57.16 56.52 2k0f n GLU 83 Cb 0.47 -1.49 0.14 0.00 -0.57 0.00 0.00 31.44 29.98 2k0f n GLU 83 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k0f h ALA 84 N 4.00 0.67 0.00 0.62 0.00 -1.50 -3.35 119.26 119.70 2k0f h ALA 84 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 2k0f h ALA 84 Cb 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2k0f h ALA 84 CO 0.00 0.00 -0.50 0.35 0.00 0.00 0.00 179.25 179.10 2k0f h PHE 85 N 0.00 0.00 0.00 0.00 3.57 -1.15 -1.08 116.94 118.29 2k0f h PHE 85 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2k0f h PHE 85 Cb 0.88 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.62 2k0f h PHE 85 CO 0.00 0.50 0.00 0.54 -2.23 0.00 0.00 178.31 177.12 2k0f n ARG 86 N -3.47 0.06 -0.00 1.11 1.74 -1.25 -1.08 116.66 113.77 2k0f n ARG 86 Ca 0.00 0.27 -0.13 0.00 -0.77 0.00 0.00 57.85 57.22 2k0f n ARG 86 Cb 0.62 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.42 2k0f n ARG 86 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2k0f h VAL 87 N 0.00 0.83 0.28 1.55 2.07 -1.36 -3.38 116.25 116.23 2k0f h VAL 87 Ca 0.00 -2.62 -0.01 0.00 0.82 0.00 0.00 66.70 64.88 2k0f h VAL 87 Cb 0.14 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 2k0f h VAL 87 CO 0.00 0.64 -0.13 -0.26 0.02 0.00 0.00 177.57 177.84 2k0f h PHE 88 N 0.03 -0.35 -3.41 1.57 -1.00 -1.51 -3.43 116.94 108.83 2k0f h PHE 88 Ca -0.32 -0.01 -0.58 0.00 2.81 0.00 0.00 57.97 59.87 2k0f h PHE 88 Cb 2.01 0.12 -0.10 0.00 3.61 0.00 0.00 35.95 41.59 2k0f h PHE 88 CO 0.03 0.01 0.73 0.34 -1.61 0.00 0.00 178.31 177.81 2k0f s ASP 89 N -5.17 6.46 -0.11 2.17 2.15 -0.24 -4.70 116.67 117.23 2k0f s ASP 89 Ca -0.13 0.02 -0.02 0.00 0.43 0.00 0.00 52.55 52.85 2k0f s ASP 89 Cb 0.02 -2.49 -0.01 0.00 -0.30 0.00 0.00 42.92 40.14 2k0f s ASP 89 CO 0.51 -1.25 -0.04 0.50 -0.17 0.00 0.00 175.17 174.72 2k0f h LYS 90 N 9.29 0.00 0.18 4.34 1.63 -1.84 -3.37 116.57 126.81 2k0f h LYS 90 Ca -0.25 0.00 0.01 0.00 -0.85 0.00 0.00 60.65 59.56 2k0f h LYS 90 Cb 1.07 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.65 2k0f h LYS 90 CO 1.10 0.00 -0.50 0.38 -3.45 0.00 0.00 179.45 176.98 2k0f h ASP 91 N -0.98 -1.48 0.00 4.20 3.04 -1.96 -3.48 116.42 115.77 2k0f h ASP 91 Ca 0.00 0.15 0.00 0.00 -3.24 0.00 0.00 57.03 53.94 2k0f h ASP 91 Cb 0.13 0.54 0.00 0.00 -1.04 0.00 0.00 39.33 38.96 2k0f h ASP 91 CO 0.00 -0.56 0.00 0.61 -2.04 0.00 0.00 179.24 177.25 2k0f n GLY 92 N -1.50 1.38 0.18 7.15 0.00 -1.26 -5.02 105.19 106.12 2k0f n GLY 92 Ca -0.09 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.92 -3.46 115.58 118.89 2k0f h ASN 93 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 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 0.41 0.00 0.61 -2.08 0.00 0.00 177.43 176.37 2k0f n GLY 94 N 0.39 1.38 2.76 9.14 0.00 -1.26 -5.11 105.19 112.50 2k0f n GLY 94 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.08 -0.33 1.61 2.02 -1.26 -3.71 117.35 113.60 2k0f s TYR 95 Ca 0.00 0.41 -0.21 0.00 -0.37 0.00 0.00 57.07 56.91 2k0f s TYR 95 Cb 0.00 -0.37 -0.00 0.00 -0.40 0.00 0.00 41.96 41.19 2k0f s TYR 95 CO 0.00 -0.28 0.65 0.42 -1.57 0.00 0.00 175.55 174.76 2k0f s ILE 96 N 2.25 4.90 0.47 2.71 1.01 0.58 -4.89 121.20 128.23 2k0f s ILE 96 Ca 0.04 0.78 0.03 0.00 0.00 0.00 0.00 60.65 61.49 2k0f s ILE 96 Cb -0.13 -4.04 0.01 0.00 0.01 0.00 0.00 42.46 38.32 2k0f s ILE 96 CO -0.05 -0.22 0.67 -0.94 0.00 0.00 0.00 174.94 174.40 2k0f s SER 97 N 1.70 5.59 0.53 3.58 1.04 -1.26 -2.31 113.70 122.57 2k0f s SER 97 Ca 0.26 -0.01 0.32 0.00 0.48 0.00 0.00 55.95 57.00 2k0f s SER 97 Cb -0.15 -1.08 1.23 0.00 0.10 0.00 0.00 66.02 66.12 2k0f s SER 97 CO 0.13 -0.86 1.93 0.00 0.98 0.00 0.00 173.24 175.42 2k0f h ALA 98 N 0.36 1.00 0.21 5.32 0.00 -1.98 0.12 119.26 124.29 2k0f h ALA 98 Ca -0.43 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.15 2k0f h ALA 98 Cb 1.28 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.09 2k0f h ALA 98 CO 0.53 0.00 -1.51 0.00 0.00 0.00 0.00 179.25 178.27 2k0f h ALA 99 N 2.01 -0.03 -0.91 0.00 0.00 -1.99 -2.12 119.26 116.22 2k0f h ALA 99 Ca 0.00 -0.96 0.01 0.00 0.00 0.00 0.00 54.91 53.96 2k0f h ALA 99 Cb 0.57 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 2k0f h ALA 99 CO 0.00 0.78 0.61 0.93 0.00 0.00 0.00 179.25 181.57 2k0f h GLU 100 N 0.05 1.20 -0.27 0.00 5.08 -1.81 -3.01 114.58 115.81 2k0f h GLU 100 Ca -0.28 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 2k0f h GLU 100 Cb 2.07 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 31.04 2k0f h GLU 100 CO 0.22 0.79 0.14 1.25 -1.00 0.00 0.00 179.01 180.41 2k0f h LEU 101 N 1.23 0.35 -0.57 1.33 5.85 -0.83 -3.06 115.31 119.61 2k0f h LEU 101 Ca 0.34 -0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.86 2k0f h LEU 101 Cb -0.13 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 2k0f h LEU 101 CO -0.08 0.36 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.28 2k0f h ARG 102 N 0.32 1.01 -0.14 1.25 2.43 -1.39 -2.92 114.38 114.94 2k0f h ARG 102 Ca 0.10 -0.32 0.05 0.00 -0.81 0.00 0.00 59.98 58.99 2k0f h ARG 102 Cb 0.09 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.49 2k0f h ARG 102 CO -0.01 1.00 -0.28 1.25 -1.51 0.00 0.00 179.97 180.42 2k0f h HIS 103 N 0.90 -0.76 -0.63 2.20 2.76 -1.52 -1.88 115.15 116.22 2k0f h HIS 103 Ca 0.16 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.32 2k0f h HIS 103 Cb 0.55 0.35 -0.03 0.00 1.55 0.00 0.00 27.41 29.84 2k0f h HIS 103 CO 0.04 -0.36 0.20 -0.24 -1.30 0.00 0.00 177.93 176.27 2k0f h VAL 104 N -0.35 1.25 0.55 5.26 3.04 -1.43 -2.85 116.25 121.73 2k0f h VAL 104 Ca 0.10 -0.84 -0.02 0.00 -1.01 0.00 0.00 66.70 64.93 2k0f h VAL 104 Cb 0.50 0.61 -0.01 0.00 -2.01 0.00 0.00 31.29 30.38 2k0f h VAL 104 CO -0.33 0.32 -0.41 -0.03 -1.01 0.00 0.00 177.57 176.11 2k0f h MET 105 N 0.90 -0.90 -0.59 4.17 -1.53 -1.35 -2.31 114.93 113.32 2k0f h MET 105 Ca 0.20 0.06 0.05 0.00 -3.44 0.00 0.00 59.70 56.57 2k0f h MET 105 Cb 0.29 0.21 -0.03 0.00 -0.55 0.00 0.00 31.60 31.51 2k0f h MET 105 CO -0.01 -0.60 0.39 1.15 0.14 0.00 0.00 176.91 177.98 2k0f h THR 106 N -0.94 1.03 -0.05 -0.77 2.02 -1.40 -2.75 112.91 110.06 2k0f h THR 106 Ca -0.06 -0.21 0.03 0.00 0.77 0.00 0.00 66.41 66.94 2k0f h THR 106 Cb 0.79 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 2k0f h THR 106 CO 0.02 0.11 -0.18 0.78 0.37 0.00 0.00 175.52 176.62 2k0f h ASN 107 N 0.62 -0.54 -0.15 4.18 2.35 -1.23 -3.05 115.58 117.76 2k0f h ASN 107 Ca 0.24 0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 56.05 2k0f h ASN 107 Cb 0.19 0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 2k0f h ASN 107 CO -0.07 -0.24 0.03 -0.07 -1.65 0.00 0.00 177.43 175.43 2k0f h LEU 108 N -0.27 0.31 0.00 1.61 3.38 -1.14 -3.44 115.31 115.76 2k0f h LEU 108 Ca 0.07 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2k0f h LEU 108 Cb 0.37 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2k0f h LEU 108 CO -0.21 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.28 2k0f n GLY 109 N -1.14 0.59 3.86 0.83 0.00 -1.14 -4.67 105.19 103.52 2k0f n GLY 109 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 3.09 0.25 1.61 0.41 -1.11 -4.96 118.70 118.00 2k0f s GLU 110 Ca 0.00 -0.84 0.06 0.00 -0.41 0.00 0.00 54.97 53.77 2k0f s GLU 110 Cb 0.00 -2.72 -0.03 0.00 -1.78 0.00 0.00 34.13 29.60 2k0f s GLU 110 CO 0.00 0.47 0.34 0.15 -0.49 0.00 0.00 175.26 175.72 2k0f s LYS 111 N -3.42 3.29 -0.30 1.61 1.02 -1.26 -4.00 119.74 116.69 2k0f s LYS 111 Ca 0.33 -0.86 -0.18 0.00 0.02 0.00 0.00 55.97 55.28 2k0f s LYS 111 Cb -0.10 -2.81 0.18 0.00 -0.52 0.00 0.00 37.83 34.59 2k0f s LYS 111 CO 0.26 0.38 1.22 -1.17 -0.92 0.00 0.00 175.35 175.11 2k0f s LEU 112 N -3.98 -0.17 0.69 3.17 2.96 -1.26 -5.02 118.68 115.07 2k0f s LEU 112 Ca 0.35 0.19 -0.01 0.00 -0.22 0.00 0.00 54.13 54.45 2k0f s LEU 112 Cb -0.09 1.18 0.11 0.00 0.50 0.00 0.00 46.19 47.89 2k0f s LEU 112 CO 0.28 -0.03 0.95 0.42 -1.32 0.00 0.00 176.35 176.65 2k0f s THR 113 N 2.40 2.25 -0.20 3.68 -4.23 -1.26 -4.93 115.64 113.34 2k0f s THR 113 Ca -0.02 -0.59 0.29 0.00 -1.18 0.00 0.00 61.69 60.18 2k0f s THR 113 Cb -0.04 -2.66 0.32 0.00 1.34 0.00 0.00 72.50 71.46 2k0f s THR 113 CO -0.14 0.00 1.85 0.44 -0.54 0.00 0.00 174.62 176.23 2k0f h ASP 114 N -0.42 0.00 -0.24 3.99 5.19 -2.02 0.89 116.42 123.81 2k0f h ASP 114 Ca -0.38 0.00 -0.18 0.00 -0.62 0.00 0.00 57.03 55.85 2k0f h ASP 114 Cb 1.28 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.79 2k0f h ASP 114 CO 0.44 0.00 -0.55 -0.33 -3.12 0.00 0.00 179.24 175.68 2k0f h GLU 115 N 0.00 0.80 0.02 3.56 5.08 -2.00 -3.32 114.58 118.72 2k0f h GLU 115 Ca 0.00 -0.54 -0.27 0.00 -1.00 0.00 0.00 59.36 57.56 2k0f h GLU 115 Cb 0.44 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 2k0f h GLU 115 CO 0.00 1.16 -1.47 0.93 -1.00 0.00 0.00 179.01 178.64 2k0f h GLU 116 N 0.55 0.04 -0.06 2.33 5.08 -1.78 -2.90 114.58 117.84 2k0f h GLU 116 Ca 0.00 -0.06 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2k0f h GLU 116 Cb 1.16 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.37 2k0f h GLU 116 CO 0.12 0.75 -0.51 0.28 -1.00 0.00 0.00 179.01 178.65 2k0f h VAL 117 N 0.01 0.04 -0.33 3.13 2.07 -0.99 -1.37 116.25 118.82 2k0f h VAL 117 Ca -0.19 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 2k0f h VAL 117 Cb 1.94 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 2k0f h VAL 117 CO 0.11 0.00 -0.05 -0.78 0.02 0.00 0.00 177.57 176.87 2k0f h ASP 118 N -0.61 0.50 -1.01 0.57 3.58 -1.68 -1.39 116.42 116.39 2k0f h ASP 118 Ca 0.03 -0.11 0.03 0.00 0.42 0.00 0.00 57.03 57.40 2k0f h ASP 118 Cb 0.69 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 41.55 2k0f h ASP 118 CO -0.39 0.60 0.66 -0.08 -2.88 0.00 0.00 179.24 177.16 2k0f h GLU 119 N 0.50 1.27 -0.12 0.28 4.81 -1.29 -2.31 114.58 117.72 2k0f h GLU 119 Ca 0.10 -0.08 -0.18 0.00 -0.13 0.00 0.00 59.36 59.08 2k0f h GLU 119 Cb 0.40 -0.29 0.01 0.00 0.63 0.00 0.00 28.75 29.50 2k0f h GLU 119 CO 0.02 0.84 -0.61 0.52 -0.73 0.00 0.00 179.01 179.05 2k0f h MET 120 N 1.31 0.63 -0.14 1.92 2.86 -0.26 -2.18 114.93 119.07 2k0f h MET 120 Ca 0.39 -0.51 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 2k0f h MET 120 Cb -0.07 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2k0f h MET 120 CO -0.11 1.13 0.01 0.82 1.06 0.00 0.00 176.91 179.82 2k0f h ILE 121 N 0.28 1.24 0.00 -1.22 1.08 -1.28 -2.78 117.51 114.83 2k0f h ILE 121 Ca -0.04 -0.79 -0.15 0.00 -0.39 0.00 0.00 64.86 63.48 2k0f h ILE 121 Cb 1.25 1.49 -0.02 0.00 -3.07 0.00 0.00 36.82 36.47 2k0f h ILE 121 CO 0.13 0.23 -0.73 0.03 -0.69 0.00 0.00 178.15 177.12 2k0f h ARG 122 N -0.00 0.00 -0.65 2.37 3.08 -1.41 -2.22 114.38 115.55 2k0f h ARG 122 Ca 0.04 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 2k0f h ARG 122 Cb 0.35 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.37 2k0f h ARG 122 CO 0.01 0.73 0.20 1.05 -1.07 0.00 0.00 179.97 180.89 2k0f h GLU 123 N 0.00 1.00 -0.06 0.04 4.11 -1.48 -3.15 114.58 115.05 2k0f h GLU 123 Ca -0.01 -0.22 -0.13 0.00 0.07 0.00 0.00 59.36 59.07 2k0f h GLU 123 Cb 1.49 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.58 2k0f h GLU 123 CO 0.09 0.88 -0.57 0.00 0.07 0.00 0.00 179.01 179.49 2k0f h ALA 124 N 1.08 0.94 -2.45 1.06 0.00 -1.16 -3.46 119.26 115.27 2k0f h ALA 124 Ca 0.21 -0.52 -0.55 0.00 0.00 0.00 0.00 54.91 54.05 2k0f h ALA 124 Cb 0.30 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2k0f h ALA 124 CO -0.01 0.70 0.33 0.34 0.00 0.00 0.00 179.25 180.62 2k0f s ASP 125 N -6.88 7.27 -0.24 0.00 2.15 -0.87 -4.87 116.67 113.22 2k0f s ASP 125 Ca -0.03 1.54 -0.16 0.00 0.43 0.00 0.00 52.55 54.33 2k0f s ASP 125 Cb 0.12 -2.53 -0.11 0.00 -0.30 0.00 0.00 42.92 40.10 2k0f s ASP 125 CO 0.78 -0.25 -0.28 -0.38 -0.17 0.00 0.00 175.17 174.87 2k0f n ILE 126 N 3.97 1.52 0.00 4.11 5.41 -1.26 -4.86 119.36 128.24 2k0f n ILE 126 Ca 0.05 -0.20 0.00 0.00 1.00 0.00 0.00 62.75 63.60 2k0f n ILE 126 Cb 0.51 -2.03 0.00 0.00 -0.71 0.00 0.00 39.64 37.41 2k0f n ILE 126 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2k0f n ASP 127 N -4.34 0.00 0.00 4.38 5.68 -1.26 -5.03 116.55 115.98 2k0f n ASP 127 Ca -0.41 0.41 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2k0f n ASP 127 Cb 0.75 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.67 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 0.36 0.00 0.11 6.12 0.00 -1.26 -5.04 105.19 105.48 2k0f n GLY 128 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 2.03 -1.98 -3.48 116.42 114.61 2k0f h ASP 129 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2k0f h ASP 129 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2k0f h ASP 129 CO 0.00 0.44 0.00 0.61 -1.03 0.00 0.00 179.24 179.26 2k0f n GLY 130 N 1.31 0.52 3.24 7.15 0.00 -1.26 -5.07 105.19 111.09 2k0f n GLY 130 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.93 1.93 -0.20 1.61 -0.21 -1.26 -4.79 119.66 115.80 2k0f s GLN 131 Ca 0.00 -0.79 -0.29 0.00 0.02 0.00 0.00 55.36 54.30 2k0f s GLN 131 Cb 0.00 -1.79 0.00 0.00 1.00 0.00 0.00 33.01 32.22 2k0f s GLN 131 CO 0.00 0.43 1.05 0.08 -2.12 0.00 0.00 175.29 174.74 2k0f s VAL 132 N -0.39 4.66 0.00 1.09 1.01 -0.98 -4.83 120.40 120.96 2k0f s VAL 132 Ca 0.05 1.99 0.00 0.00 0.00 0.00 0.00 61.98 64.02 2k0f s VAL 132 Cb -0.10 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.00 2k0f s VAL 132 CO 0.00 -0.14 0.00 -0.46 0.00 0.00 0.00 175.10 174.51 2k0f n ASN 133 N 6.06 0.00 0.02 3.32 0.23 -1.26 -0.31 115.26 123.32 2k0f n ASN 133 Ca 0.11 -0.86 -0.12 0.00 -0.53 0.00 0.00 54.58 53.18 2k0f n ASN 133 Cb 0.46 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.09 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 -0.22 0.02 -0.25 -2.53 3.20 -1.97 -2.49 116.97 112.73 2k0f h TYR 134 Ca 0.00 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.76 2k0f h TYR 134 Cb 0.00 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 2k0f h TYR 134 CO 0.00 0.18 -0.30 0.93 -1.64 0.00 0.00 178.16 177.33 2k0f h GLU 135 N -0.14 0.51 -0.18 1.82 5.08 -1.95 0.21 114.58 119.93 2k0f h GLU 135 Ca 0.00 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.08 2k0f h GLU 135 Cb 0.17 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2k0f h GLU 135 CO -0.00 0.76 -0.21 0.93 -1.00 0.00 0.00 179.01 179.49 2k0f h GLU 136 N 0.44 0.31 0.36 2.33 5.08 -1.90 -2.67 114.58 118.54 2k0f h GLU 136 Ca 0.06 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2k0f h GLU 136 Cb 0.75 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2k0f h GLU 136 CO 0.06 0.52 -0.18 0.35 -1.00 0.00 0.00 179.01 178.76 2k0f h PHE 137 N 0.29 -0.45 -0.89 4.33 3.04 -0.93 -3.32 116.94 119.01 2k0f h PHE 137 Ca 0.05 -0.01 0.15 0.00 3.98 0.00 0.00 57.97 62.14 2k0f h PHE 137 Cb 0.54 0.15 -0.07 0.00 2.56 0.00 0.00 35.95 39.13 2k0f h PHE 137 CO 0.01 -0.28 0.57 0.28 -2.02 0.00 0.00 178.31 176.87 2k0f h VAL 138 N -0.85 0.80 -0.03 1.41 2.07 -0.63 -2.27 116.25 116.75 2k0f h VAL 138 Ca -0.05 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 2k0f h VAL 138 Cb 0.38 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2k0f h VAL 138 CO 0.08 0.12 0.00 -0.61 0.02 0.00 0.00 177.57 177.18 2k0f h GLN 139 N 0.63 0.05 0.00 1.57 5.75 -1.64 -2.80 115.11 118.68 2k0f h GLN 139 Ca 0.45 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.90 2k0f h GLN 139 Cb 0.80 -0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.34 2k0f h GLN 139 CO -0.21 0.35 -0.20 0.00 -2.65 0.00 0.00 178.83 176.12 2k0f h MET 140 N -0.25 0.00 0.00 1.69 -0.00 -1.52 -2.39 114.93 112.46 2k0f h MET 140 Ca 0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 59.70 59.60 2k0f h MET 140 Cb 0.32 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.91 2k0f h MET 140 CO 0.00 0.15 -0.61 0.52 -0.00 0.00 0.00 176.91 176.97 2k0f h MET 141 N 0.00 0.00 -0.03 -0.10 2.86 -1.57 -3.52 114.93 112.58 2k0f h MET 141 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2k0f h MET 141 Cb 1.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.78 2k0f h MET 141 CO 0.02 0.43 0.00 2.41 1.06 0.00 0.00 176.91 180.83