#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 -0.21 -0.78 4.39 -2.07 -2.23 114.58 113.67 2k0f h GLU 2 Ca 0.00 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.58 2k0f h GLU 2 Cb 0.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2k0f h GLU 2 CO 0.00 0.00 -0.39 0.93 -1.16 0.00 0.00 179.01 178.39 2k0f h GLU 3 N 0.00 0.49 0.06 2.33 3.07 -2.06 -3.26 114.58 115.21 2k0f h GLU 3 Ca 0.00 -0.24 -0.25 0.00 -0.50 0.00 0.00 59.36 58.37 2k0f h GLU 3 Cb 0.26 -0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.18 2k0f h GLU 3 CO 0.00 0.80 -1.09 1.96 -1.40 0.00 0.00 179.01 179.29 2k0f h GLN 4 N 0.41 0.39 -0.24 2.33 4.20 -1.83 -2.88 115.11 117.47 2k0f h GLN 4 Ca 0.04 -0.50 0.06 0.00 0.06 0.00 0.00 58.65 58.31 2k0f h GLN 4 Cb 0.87 0.16 -0.06 0.00 0.30 0.00 0.00 27.48 28.74 2k0f h GLN 4 CO 0.07 1.18 -0.17 0.82 -0.67 0.00 0.00 178.83 180.06 2k0f h ILE 5 N 0.18 0.52 -0.91 2.54 1.08 -1.60 -1.29 117.51 118.03 2k0f h ILE 5 Ca -0.11 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.35 2k0f h ILE 5 Cb 1.76 0.52 -0.04 0.00 -3.07 0.00 0.00 36.82 35.99 2k0f h ILE 5 CO 0.19 0.00 0.53 0.00 -0.69 0.00 0.00 178.15 178.18 2k0f h ALA 6 N 0.99 1.16 -0.52 1.87 0.00 -1.66 -0.71 119.26 120.40 2k0f h ALA 6 Ca 0.14 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2k0f h ALA 6 Cb 0.36 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2k0f h ALA 6 CO -0.34 0.64 0.12 1.49 0.00 0.00 0.00 179.25 181.15 2k0f h GLU 7 N 1.26 0.84 0.00 0.00 4.81 -1.33 -2.02 114.58 118.13 2k0f h GLU 7 Ca 0.32 -0.21 -0.09 0.00 -0.13 0.00 0.00 59.36 59.26 2k0f h GLU 7 Cb -0.03 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 2k0f h GLU 7 CO -0.06 0.80 -0.43 0.74 -0.73 0.00 0.00 179.01 179.33 2k0f h PHE 8 N 0.72 0.00 0.00 0.92 -1.00 -0.83 -2.28 116.94 114.48 2k0f h PHE 8 Ca 0.16 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.90 2k0f h PHE 8 Cb 0.35 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.91 2k0f h PHE 8 CO 0.02 0.43 -0.21 -0.22 -1.61 0.00 0.00 178.31 176.73 2k0f h LYS 9 N 0.00 0.00 0.24 1.51 3.64 -0.51 -1.93 116.57 119.52 2k0f h LYS 9 Ca -0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2k0f h LYS 9 Cb 0.83 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.62 2k0f h LYS 9 CO 0.06 0.21 -0.34 0.93 -2.27 0.00 0.00 179.45 178.03 2k0f h GLU 10 N 0.00 -0.62 0.00 1.90 4.39 -0.77 -2.80 114.58 116.68 2k0f h GLU 10 Ca -0.00 0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.69 2k0f h GLU 10 Cb 0.99 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 2k0f h GLU 10 CO 0.03 -0.42 -0.25 0.00 -1.16 0.00 0.00 179.01 177.21 2k0f h ALA 11 N -0.10 1.20 -0.78 3.43 0.00 -1.54 -3.06 119.26 118.41 2k0f h ALA 11 Ca 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2k0f h ALA 11 Cb 0.62 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 2k0f h ALA 11 CO -0.12 0.32 0.48 0.35 0.00 0.00 0.00 179.25 180.28 2k0f h PHE 12 N 0.00 1.02 0.00 0.00 3.57 -1.32 -1.89 116.94 118.32 2k0f h PHE 12 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2k0f h PHE 12 Cb 0.61 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.01 2k0f h PHE 12 CO 0.00 0.67 0.07 0.77 -2.23 0.00 0.00 178.31 177.60 2k0f h SER 13 N 1.07 0.00 0.95 0.41 0.02 -1.38 -1.45 113.55 113.17 2k0f h SER 13 Ca 0.28 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.09 2k0f h SER 13 Cb -0.06 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 2k0f h SER 13 CO -0.06 0.00 -0.69 -0.07 -1.14 0.00 0.00 176.83 174.87 2k0f h LEU 14 N 0.00 0.00 0.07 5.07 3.38 -1.45 -3.36 115.31 119.01 2k0f h LEU 14 Ca 0.00 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.69 2k0f h LEU 14 Cb 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2k0f h LEU 14 CO 0.00 0.69 -1.53 -0.26 0.09 0.00 0.00 178.44 177.43 2k0f h PHE 15 N 0.00 0.25 -2.31 1.13 0.04 -1.38 -3.45 116.94 111.23 2k0f h PHE 15 Ca -0.01 -0.18 -0.54 0.00 2.80 0.00 0.00 57.97 60.04 2k0f h PHE 15 Cb 1.36 -0.01 -0.08 0.00 2.20 0.00 0.00 35.95 39.42 2k0f h PHE 15 CO 0.00 1.60 1.08 0.34 -0.60 0.00 0.00 178.31 180.74 2k0f s ASP 16 N -6.95 6.13 0.20 2.17 -1.08 -0.83 -4.66 116.67 111.65 2k0f s ASP 16 Ca -0.25 -0.44 0.16 0.00 -0.52 0.00 0.00 52.55 51.50 2k0f s ASP 16 Cb 0.06 -2.56 -0.00 0.00 -1.46 0.00 0.00 42.92 38.96 2k0f s ASP 16 CO 0.69 -1.86 1.22 0.11 0.52 0.00 0.00 175.17 175.85 2k0f h LYS 17 N 10.26 0.00 0.04 4.34 1.79 -1.86 -3.08 116.57 128.05 2k0f h LYS 17 Ca -0.27 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.20 2k0f h LYS 17 Cb 1.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.70 2k0f h LYS 17 CO 1.28 0.40 -0.02 -0.44 -1.08 0.00 0.00 179.45 179.59 2k0f h ASP 18 N 0.00 -0.05 0.00 0.86 3.32 -1.93 -3.49 116.42 115.13 2k0f h ASP 18 Ca -0.06 -0.62 0.00 0.00 0.02 0.00 0.00 57.03 56.38 2k0f h ASP 18 Cb 1.43 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.99 2k0f h ASP 18 CO 0.05 0.71 0.00 0.61 -1.72 0.00 0.00 179.24 178.89 2k0f n GLY 19 N 1.25 1.55 0.09 2.75 0.00 -1.17 -5.04 105.19 104.62 2k0f n GLY 19 Ca -0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.84 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 0.11 0.00 1.61 2.03 -1.96 -3.49 116.42 114.72 2k0f h ASP 20 Ca 0.00 -0.18 0.00 0.00 -0.73 0.00 0.00 57.03 56.12 2k0f h ASP 20 Cb 0.00 -0.04 0.00 0.00 -0.83 0.00 0.00 39.33 38.46 2k0f h ASP 20 CO 0.00 1.16 0.00 0.61 -1.03 0.00 0.00 179.24 179.98 2k0f n GLY 21 N 1.57 1.62 3.40 7.15 0.00 -1.26 -5.12 105.19 112.56 2k0f n GLY 21 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.76 3.34 -0.38 2.61 -4.23 -1.26 -3.45 115.64 110.52 2k0f s THR 22 Ca 0.00 -0.55 -0.22 0.00 -1.18 0.00 0.00 61.69 59.74 2k0f s THR 22 Cb 0.00 -2.44 0.01 0.00 1.34 0.00 0.00 72.50 71.41 2k0f s THR 22 CO 0.00 0.50 0.71 -0.63 -0.54 0.00 0.00 174.62 174.66 2k0f s ILE 23 N 0.51 4.79 0.79 2.99 1.01 0.11 -4.90 121.20 126.51 2k0f s ILE 23 Ca -0.07 0.65 -0.12 0.00 0.00 0.00 0.00 60.65 61.11 2k0f s ILE 23 Cb -0.15 -4.17 0.07 0.00 0.01 0.00 0.00 42.46 38.22 2k0f s ILE 23 CO 0.04 -0.43 1.17 0.42 0.00 0.00 0.00 174.94 176.13 2k0f s THR 24 N 2.94 2.25 0.14 2.92 -4.23 -1.26 -1.50 115.64 116.90 2k0f s THR 24 Ca 0.28 0.08 -0.30 0.00 -1.18 0.00 0.00 61.69 60.57 2k0f s THR 24 Cb -0.14 -3.08 -0.05 0.00 1.34 0.00 0.00 72.50 70.58 2k0f s THR 24 CO 0.17 -0.10 1.56 0.71 -0.54 0.00 0.00 174.62 176.42 2k0f h THR 25 N -1.00 0.05 -0.47 3.99 1.35 -1.96 -2.60 112.91 112.28 2k0f h THR 25 Ca -0.46 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 65.54 2k0f h THR 25 Cb 1.32 0.05 -0.02 0.00 -1.73 0.00 0.00 68.15 67.77 2k0f h THR 25 CO 0.66 0.00 0.36 0.07 -0.25 0.00 0.00 175.52 176.36 2k0f h LYS 26 N -0.37 0.00 0.05 4.72 2.10 -1.97 -0.96 116.57 120.14 2k0f h LYS 26 Ca 0.11 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.50 2k0f h LYS 26 Cb 0.60 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.91 2k0f h LYS 26 CO -0.58 0.00 -1.28 0.93 -2.00 0.00 0.00 179.45 176.52 2k0f h GLU 27 N 0.00 0.11 0.21 0.07 5.08 -1.78 -1.92 114.58 116.34 2k0f h GLU 27 Ca 0.22 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2k0f h GLU 27 Cb 0.95 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2k0f h GLU 27 CO -0.00 0.98 -0.10 1.25 -1.00 0.00 0.00 179.01 180.14 2k0f h LEU 28 N 0.03 -0.24 -0.86 1.33 5.85 -1.39 -2.87 115.31 117.16 2k0f h LEU 28 Ca -0.13 -0.29 0.21 0.00 0.84 0.00 0.00 57.88 58.51 2k0f h LEU 28 Cb 1.90 0.06 -0.12 0.00 0.37 0.00 0.00 40.66 42.87 2k0f h LEU 28 CO 0.14 0.25 0.32 1.23 -0.34 0.00 0.00 178.44 180.05 2k0f h GLY 29 N -0.82 1.40 0.84 3.75 0.00 -1.27 -2.18 103.07 104.78 2k0f h GLY 29 Ca -0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 2k0f h GLY 29 CO 0.05 -0.27 0.02 -0.84 0.00 0.00 0.00 176.54 175.50 2k0f h THR 30 N 0.34 1.16 -0.19 4.70 2.02 -1.42 -1.11 112.91 118.41 2k0f h THR 30 Ca 0.53 -0.48 0.03 0.00 0.77 0.00 0.00 66.41 67.26 2k0f h THR 30 Cb 0.99 1.35 -0.03 0.00 -1.74 0.00 0.00 68.15 68.73 2k0f h THR 30 CO -0.55 0.14 0.01 0.58 0.37 0.00 0.00 175.52 176.07 2k0f h VAL 31 N -0.06 0.87 -0.99 3.16 2.07 -1.22 -0.39 116.25 119.68 2k0f h VAL 31 Ca 0.02 -0.02 0.16 0.00 0.82 0.00 0.00 66.70 67.68 2k0f h VAL 31 Cb 0.20 0.79 -0.09 0.00 -1.52 0.00 0.00 31.29 30.66 2k0f h VAL 31 CO -0.00 0.01 0.62 0.24 0.02 0.00 0.00 177.57 178.46 2k0f h MET 32 N 0.07 0.80 0.00 1.57 2.86 -1.29 0.22 114.93 119.16 2k0f h MET 32 Ca 0.09 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 2k0f h MET 32 Cb 0.11 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.59 2k0f h MET 32 CO -0.15 0.53 -0.05 0.00 1.06 0.00 0.00 176.91 178.31 2k0f h ARG 33 N 0.83 0.00 0.00 1.72 3.08 -0.75 0.29 114.38 119.55 2k0f h ARG 33 Ca 0.54 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 60.42 2k0f h ARG 33 Cb 0.75 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.78 2k0f h ARG 33 CO -0.32 0.05 -1.61 0.43 -1.07 0.00 0.00 179.97 177.44 2k0f n SER 34 N -3.14 0.61 0.35 7.04 7.64 -0.20 -3.84 113.62 122.09 2k0f n SER 34 Ca 0.02 0.27 -0.14 0.00 1.01 0.00 0.00 58.87 60.02 2k0f n SER 34 Cb 0.41 0.56 -0.07 0.00 -1.01 0.00 0.00 64.21 64.10 2k0f n SER 34 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2k0f h LEU 35 N 0.00 -0.82 0.00 -3.43 3.38 -0.67 -3.44 115.31 110.33 2k0f h LEU 35 Ca -0.19 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2k0f h LEU 35 Cb 1.57 0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.54 2k0f h LEU 35 CO 0.03 -0.56 0.00 0.61 0.09 0.00 0.00 178.44 178.61 2k0f n GLY 36 N -1.46 0.00 3.86 0.83 0.00 -0.75 -5.08 105.19 102.59 2k0f n GLY 36 Ca -0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 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 2.39 -0.42 1.61 -0.21 0.96 -4.97 119.66 119.01 2k0f s GLN 37 Ca 0.00 -1.74 0.04 0.00 0.02 0.00 0.00 55.36 53.68 2k0f s GLN 37 Cb 0.00 -2.23 0.17 0.00 1.00 0.00 0.00 33.01 31.95 2k0f s GLN 37 CO 0.00 -0.32 0.37 -0.80 -2.12 0.00 0.00 175.29 172.42 2k0f s ASN 38 N -4.14 1.17 0.91 5.90 0.01 -1.26 -3.60 114.94 113.92 2k0f s ASN 38 Ca 0.43 -2.96 -0.14 0.00 -0.71 0.00 0.00 52.86 49.48 2k0f s ASN 38 Cb -0.02 -0.24 0.15 0.00 0.41 0.00 0.00 41.25 41.55 2k0f s ASN 38 CO 0.25 -0.16 1.22 -2.16 -1.51 0.00 0.00 177.10 174.74 2k0f s PRO 39 N 0.13 1.13 0.53 -0.60 0.04 -1.26 -5.10 135.00 129.87 2k0f s PRO 39 Ca 0.33 -0.06 -0.02 0.00 0.04 0.00 0.00 61.00 61.29 2k0f s PRO 39 Cb 0.04 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.72 2k0f s PRO 39 CO -0.19 -2.14 0.78 0.95 0.04 0.00 0.00 177.00 176.45 2k0f s THR 40 N -3.61 3.42 0.12 1.26 -4.23 -1.26 -5.01 115.64 106.34 2k0f s THR 40 Ca 0.67 -0.40 -0.02 0.00 -1.18 0.00 0.00 61.69 60.76 2k0f s THR 40 Cb -0.09 -3.31 -0.21 0.00 1.34 0.00 0.00 72.50 70.23 2k0f s THR 40 CO 0.52 -0.25 1.27 -0.33 -0.54 0.00 0.00 174.62 175.28 2k0f h GLU 41 N 0.08 0.30 -0.38 3.99 4.39 -1.99 -2.68 114.58 118.30 2k0f h GLU 41 Ca -0.45 -0.39 0.03 0.00 0.34 0.00 0.00 59.36 58.90 2k0f h GLU 41 Cb 1.27 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 30.01 2k0f h GLU 41 CO 0.57 1.11 0.17 0.00 -1.16 0.00 0.00 179.01 179.70 2k0f h ALA 42 N 0.75 0.46 -0.57 3.43 0.00 -1.99 -0.27 119.26 121.07 2k0f h ALA 42 Ca -0.09 0.02 0.13 0.00 0.00 0.00 0.00 54.91 54.97 2k0f h ALA 42 Cb 1.70 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.42 2k0f h ALA 42 CO 0.17 -0.20 0.39 0.93 0.00 0.00 0.00 179.25 180.54 2k0f h GLU 43 N 0.36 0.19 -0.30 0.00 5.08 -1.96 -2.45 114.58 115.50 2k0f h GLU 43 Ca 0.16 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.38 2k0f h GLU 43 Cb 0.09 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2k0f h GLU 43 CO -0.13 0.13 -0.35 -0.07 -1.00 0.00 0.00 179.01 177.58 2k0f h LEU 44 N 0.20 0.72 0.00 1.33 3.38 -0.73 0.89 115.31 121.10 2k0f h LEU 44 Ca 0.27 -0.31 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 2k0f h LEU 44 Cb 0.80 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2k0f h LEU 44 CO -0.05 1.01 -0.81 1.56 0.09 0.00 0.00 178.44 180.24 2k0f h GLN 45 N 0.57 0.00 0.11 1.13 4.20 -1.24 0.12 115.11 120.00 2k0f h GLN 45 Ca 0.06 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.49 2k0f h GLN 45 Cb 0.87 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.67 2k0f h GLN 45 CO 0.08 0.60 -1.19 -0.44 -0.67 0.00 0.00 178.83 177.21 2k0f h ASP 46 N 0.00 0.64 -0.48 1.46 5.19 -1.32 -1.05 116.42 120.87 2k0f h ASP 46 Ca -0.04 -0.61 -0.01 0.00 -0.62 0.00 0.00 57.03 55.75 2k0f h ASP 46 Cb 1.54 -0.20 -0.03 0.00 0.18 0.00 0.00 39.33 40.82 2k0f h ASP 46 CO 0.08 1.44 0.26 -0.03 -3.12 0.00 0.00 179.24 177.87 2k0f h MET 47 N 0.19 0.71 0.05 3.56 4.05 -0.61 -2.97 114.93 119.90 2k0f h MET 47 Ca -0.15 -0.08 -0.00 0.00 -0.28 0.00 0.00 59.70 59.19 2k0f h MET 47 Cb 1.87 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 32.53 2k0f h MET 47 CO 0.21 0.54 -0.02 0.82 0.23 0.00 0.00 176.91 178.69 2k0f h ILE 48 N 0.71 1.24 -1.00 1.77 2.04 -0.73 -3.33 117.51 118.21 2k0f h ILE 48 Ca 0.18 -0.99 0.20 0.00 1.00 0.00 0.00 64.86 65.25 2k0f h ILE 48 Cb 0.06 1.88 -0.11 0.00 -0.74 0.00 0.00 36.82 37.91 2k0f h ILE 48 CO -0.03 0.25 0.61 -1.13 0.00 0.00 0.00 178.15 177.85 2k0f h ASN 49 N -0.51 0.76 -0.58 1.72 -0.00 -1.02 -1.09 115.58 114.85 2k0f h ASN 49 Ca -0.01 0.11 0.09 0.00 -0.00 0.00 0.00 56.30 56.49 2k0f h ASN 49 Cb 0.46 -0.03 -0.03 0.00 -0.00 0.00 0.00 38.32 38.72 2k0f h ASN 49 CO 0.01 0.24 0.39 -0.33 -0.00 0.00 0.00 177.43 177.74 2k0f h GLU 50 N 0.72 0.41 0.00 6.67 5.08 -1.65 0.17 114.58 125.98 2k0f h GLU 50 Ca 0.59 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.93 2k0f h GLU 50 Cb 0.97 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.13 2k0f h GLU 50 CO -0.40 0.27 -1.09 1.33 -1.00 0.00 0.00 179.01 178.12 2k0f n VAL 51 N -4.47 0.35 -2.49 3.13 0.24 -0.48 -4.94 118.33 109.67 2k0f n VAL 51 Ca 0.09 -0.40 -0.42 0.00 -2.04 0.00 0.00 64.34 61.57 2k0f n VAL 51 Cb 0.35 -0.08 -0.02 0.00 -1.47 0.00 0.00 33.84 32.61 2k0f n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2k0f s ASP 52 N -4.61 6.40 -0.19 -1.34 2.15 0.59 -4.89 116.67 114.79 2k0f s ASP 52 Ca 0.01 0.42 -0.18 0.00 0.43 0.00 0.00 52.55 53.23 2k0f s ASP 52 Cb 0.12 -2.55 -0.14 0.00 -0.30 0.00 0.00 42.92 40.05 2k0f s ASP 52 CO 0.80 -1.46 0.10 0.00 -0.17 0.00 0.00 175.17 174.44 2k0f n ALA 53 N 8.61 0.69 -0.03 3.66 0.00 -1.26 -4.49 120.51 127.70 2k0f n ALA 53 Ca 0.12 -0.47 0.06 0.00 0.00 0.00 0.00 53.44 53.15 2k0f n ALA 53 Cb 0.49 -0.39 0.44 0.00 0.00 0.00 0.00 19.45 19.98 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 0.45 0.00 0.00 3.04 -1.96 -3.47 116.42 113.49 2k0f h ASP 54 Ca -0.25 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.53 2k0f h ASP 54 Cb 1.08 -0.11 0.00 0.00 -1.04 0.00 0.00 39.33 39.26 2k0f h ASP 54 CO -0.15 0.32 0.00 0.61 -2.04 0.00 0.00 179.24 177.97 2k0f n GLY 55 N -1.48 0.73 0.26 7.15 0.00 -1.26 -4.99 105.19 105.59 2k0f n GLY 55 Ca 0.05 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.24 2k0f n GLY 55 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2k0f h ASN 56 N 0.00 0.00 0.00 1.61 7.08 -1.94 -3.46 115.58 118.87 2k0f h ASN 56 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2k0f h ASN 56 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2k0f h ASN 56 CO 0.00 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 175.96 2k0f n GLY 57 N 0.05 0.53 3.36 9.14 0.00 -1.26 -5.05 105.19 111.96 2k0f n GLY 57 Ca 0.01 0.00 -0.29 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 -2.25 2.16 -0.17 2.61 -4.23 -1.26 -4.77 115.64 107.73 2k0f s THR 58 Ca 0.00 -1.63 -0.29 0.00 -1.18 0.00 0.00 61.69 58.58 2k0f s THR 58 Cb 0.00 -1.90 -0.01 0.00 1.34 0.00 0.00 72.50 71.93 2k0f s THR 58 CO 0.00 0.14 1.14 -0.63 -0.54 0.00 0.00 174.62 174.74 2k0f s ILE 59 N -1.00 4.48 0.59 2.99 1.01 -0.56 -4.85 121.20 123.86 2k0f s ILE 59 Ca 0.13 1.78 0.07 0.00 0.00 0.00 0.00 60.65 62.62 2k0f s ILE 59 Cb -0.10 -4.15 0.08 0.00 0.01 0.00 0.00 42.46 38.31 2k0f s ILE 59 CO 0.05 -0.12 0.81 -1.81 0.00 0.00 0.00 174.94 173.87 2k0f s ASP 60 N 1.53 4.99 -0.01 3.58 1.11 -1.26 0.08 116.67 126.69 2k0f s ASP 60 Ca 0.50 -0.64 -0.24 0.00 0.18 0.00 0.00 52.55 52.35 2k0f s ASP 60 Cb -0.19 0.05 -0.19 0.00 1.07 0.00 0.00 42.92 43.66 2k0f s ASP 60 CO 0.13 -1.39 1.26 0.15 1.18 0.00 0.00 175.17 176.50 2k0f h PHE 61 N 0.06 0.14 0.00 4.23 3.57 -1.97 -1.74 116.94 121.23 2k0f h PHE 61 Ca -0.33 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.12 2k0f h PHE 61 Cb 1.28 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.99 2k0f h PHE 61 CO 0.27 0.61 0.27 -1.35 -2.23 0.00 0.00 178.31 175.87 2k0f h PRO 62 N -0.36 0.00 0.00 6.41 0.11 -1.96 0.17 132.00 136.37 2k0f h PRO 62 Ca 0.01 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.94 2k0f h PRO 62 Cb 0.59 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.67 2k0f h PRO 62 CO 0.01 0.00 -1.69 0.39 -0.21 0.00 0.00 178.00 176.50 2k0f n GLU 63 N -2.88 0.64 0.06 1.05 1.02 -0.86 -1.35 120.64 118.32 2k0f n GLU 63 Ca -0.02 0.11 -0.12 0.00 -0.02 0.00 0.00 57.16 57.10 2k0f n GLU 63 Cb 0.31 -1.70 -0.07 0.00 -0.02 0.00 0.00 31.44 29.96 2k0f n GLU 63 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2k0f h PHE 64 N 0.00 -0.06 0.66 -0.32 3.04 -0.54 -3.13 116.94 116.59 2k0f h PHE 64 Ca -0.21 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.71 2k0f h PHE 64 Cb 1.60 0.02 0.00 0.00 2.56 0.00 0.00 35.95 40.14 2k0f h PHE 64 CO 0.00 -0.04 -0.33 -0.07 -2.02 0.00 0.00 178.31 175.85 2k0f h LEU 65 N -0.06 -0.79 -2.36 0.59 3.38 -0.60 -3.12 115.31 112.34 2k0f h LEU 65 Ca -0.01 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2k0f h LEU 65 Cb 0.05 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2k0f h LEU 65 CO 0.01 -0.55 -0.03 0.71 0.09 0.00 0.00 178.44 178.67 2k0f h THR 66 N -0.90 0.23 -0.05 0.22 1.35 -1.27 0.13 112.91 112.61 2k0f h THR 66 Ca -0.09 -0.23 -0.09 0.00 -0.55 0.00 0.00 66.41 65.44 2k0f h THR 66 Cb 0.70 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.31 2k0f h THR 66 CO 0.14 0.03 -0.33 -0.03 -0.25 0.00 0.00 175.52 175.08 2k0f h MET 67 N 0.00 0.32 0.06 4.72 1.85 -1.53 -3.05 114.93 117.30 2k0f h MET 67 Ca -0.00 -0.27 -0.25 0.00 -0.61 0.00 0.00 59.70 58.57 2k0f h MET 67 Cb 0.18 0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.25 2k0f h MET 67 CO 0.00 0.93 -1.22 0.52 -0.40 0.00 0.00 176.91 176.74 2k0f h MET 68 N -0.20 0.13 0.00 0.39 2.07 -1.26 -3.23 114.93 112.82 2k0f h MET 68 Ca -0.03 -0.23 -0.03 0.00 -2.07 0.00 0.00 59.70 57.35 2k0f h MET 68 Cb 1.00 0.08 -0.00 0.00 -1.87 0.00 0.00 31.60 30.81 2k0f h MET 68 CO 0.07 1.05 -0.14 0.00 1.07 0.00 0.00 176.91 178.96 2k0f h ALA 69 N 0.78 1.33 -2.44 6.32 0.00 -1.11 -3.43 119.26 120.69 2k0f h ALA 69 Ca -0.11 -0.13 -0.53 0.00 0.00 0.00 0.00 54.91 54.14 2k0f h ALA 69 Cb 1.90 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.69 2k0f h ALA 69 CO 0.16 0.17 1.06 0.50 0.00 0.00 0.00 179.25 181.14 2k0f s ARG 70 N -4.23 4.17 -0.13 0.00 3.52 -1.15 -5.02 118.95 116.11 2k0f s ARG 70 Ca -0.03 2.42 -0.10 0.00 -0.13 0.00 0.00 55.73 57.88 2k0f s ARG 70 Cb 0.13 -3.68 -0.05 0.00 -1.56 0.00 0.00 34.95 29.80 2k0f s ARG 70 CO 0.60 -0.79 0.21 0.15 -0.81 0.00 0.00 175.30 174.66 2k0f s LYS 71 N 2.95 3.87 0.52 5.12 1.02 -1.26 -5.01 119.74 126.94 2k0f s LYS 71 Ca 0.77 -0.03 0.08 0.00 0.02 0.00 0.00 55.97 56.81 2k0f s LYS 71 Cb -0.41 -3.30 0.05 0.00 -0.52 0.00 0.00 37.83 33.64 2k0f s LYS 71 CO 0.34 0.53 0.60 -1.64 -0.92 0.00 0.00 175.35 174.26 2k0f s MET 72 N -0.36 2.41 0.59 1.68 -1.94 -1.26 -5.09 119.30 115.33 2k0f s MET 72 Ca 0.15 -1.65 -0.16 0.00 -1.71 0.00 0.00 55.69 52.32 2k0f s MET 72 Cb -0.13 -2.50 -0.04 0.00 2.01 0.00 0.00 34.83 34.18 2k0f s MET 72 CO 0.04 -0.61 1.05 -1.59 -0.01 0.00 0.00 175.02 173.91 2k0f s LYS 73 N -4.44 3.35 0.00 2.03 -2.85 -1.26 -4.78 119.74 111.79 2k0f s LYS 73 Ca 0.52 1.20 0.20 0.00 -1.00 0.00 0.00 55.97 56.89 2k0f s LYS 73 Cb -0.05 -2.04 1.13 0.00 -2.06 0.00 0.00 37.83 34.81 2k0f s LYS 73 CO 0.32 -0.79 1.61 -0.25 0.10 0.00 0.00 175.35 176.35 2k0f n ASP 74 N -1.99 0.00 0.01 0.03 8.00 -1.26 -1.68 116.55 119.66 2k0f n ASP 74 Ca 0.09 -0.38 -0.00 0.00 0.71 0.00 0.00 54.79 55.20 2k0f n ASP 74 Cb 0.53 -0.12 -0.00 0.00 -0.02 0.00 0.00 41.12 41.51 2k0f n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2k0f h THR 75 N 0.00 0.00 -0.98 -3.53 1.35 -2.00 -3.29 112.91 104.45 2k0f h THR 75 Ca 0.00 -0.02 0.33 0.00 -0.55 0.00 0.00 66.41 66.17 2k0f h THR 75 Cb 0.07 0.00 -0.18 0.00 -1.73 0.00 0.00 68.15 66.32 2k0f h THR 75 CO 0.00 0.00 0.29 0.44 -0.25 0.00 0.00 175.52 176.00 2k0f h ASP 76 N -0.05 -0.04 0.24 5.36 3.32 -1.88 -2.13 116.42 121.24 2k0f h ASP 76 Ca -0.00 0.26 -0.08 0.00 0.02 0.00 0.00 57.03 57.22 2k0f h ASP 76 Cb 0.02 0.35 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 2k0f h ASP 76 CO 0.00 -0.36 -0.33 -1.28 -1.72 0.00 0.00 179.24 175.56 2k0f h SER 77 N 0.05 0.15 0.01 6.45 0.87 -1.46 0.11 113.55 119.72 2k0f h SER 77 Ca 0.71 -0.05 -0.10 0.00 -1.23 0.00 0.00 61.79 61.11 2k0f h SER 77 Cb 1.66 -0.04 0.01 0.00 -0.44 0.00 0.00 62.40 63.59 2k0f h SER 77 CO -0.81 0.48 -0.41 -0.08 -0.53 0.00 0.00 176.83 175.47 2k0f h GLU 78 N 0.13 0.26 -0.28 2.24 4.81 -1.48 -3.27 114.58 117.00 2k0f h GLU 78 Ca 0.02 -0.29 0.02 0.00 -0.13 0.00 0.00 59.36 58.97 2k0f h GLU 78 Cb 0.65 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 2k0f h GLU 78 CO 0.05 1.02 0.13 0.93 -0.73 0.00 0.00 179.01 180.40 2k0f h GLU 79 N -0.37 0.27 0.43 1.92 4.39 -1.11 -2.37 114.58 117.74 2k0f h GLU 79 Ca -0.05 -0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 2k0f h GLU 79 Cb 1.17 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 2k0f h GLU 79 CO 0.08 0.18 -0.21 1.49 -1.16 0.00 0.00 179.01 179.39 2k0f h GLU 80 N 0.28 -0.56 -0.23 2.33 4.81 -0.95 0.45 114.58 120.71 2k0f h GLU 80 Ca 0.12 0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.25 2k0f h GLU 80 Cb 0.04 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2k0f h GLU 80 CO -0.09 -0.33 -0.43 0.97 -0.73 0.00 0.00 179.01 178.41 2k0f h ILE 81 N -0.67 1.30 -0.37 2.32 6.09 -1.60 0.73 117.51 125.32 2k0f h ILE 81 Ca -0.06 -1.61 -0.00 0.00 -1.37 0.00 0.00 64.86 61.82 2k0f h ILE 81 Cb 0.49 1.59 -0.02 0.00 0.47 0.00 0.00 36.82 39.35 2k0f h ILE 81 CO 0.10 0.51 0.21 -0.09 -3.07 0.00 0.00 178.15 175.80 2k0f h ARG 82 N 0.46 0.50 -0.62 2.19 2.43 -1.23 0.90 114.38 119.02 2k0f h ARG 82 Ca 0.04 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 2k0f h ARG 82 Cb 0.94 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 30.35 2k0f h ARG 82 CO 0.08 0.40 0.41 0.93 -1.51 0.00 0.00 179.97 180.28 2k0f h GLU 83 N 0.47 0.62 -0.63 0.20 4.39 0.08 -1.16 114.58 118.55 2k0f h GLU 83 Ca 0.13 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.74 2k0f h GLU 83 Cb 0.03 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 2k0f h GLU 83 CO -0.02 0.41 0.18 0.00 -1.16 0.00 0.00 179.01 178.42 2k0f h ALA 84 N 1.66 0.83 -0.77 3.43 0.00 -0.15 -2.86 119.26 121.40 2k0f h ALA 84 Ca 0.26 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 55.08 2k0f h ALA 84 Cb 0.22 -0.24 -0.09 0.00 0.00 0.00 0.00 17.79 17.68 2k0f h ALA 84 CO -0.08 0.51 0.35 0.35 0.00 0.00 0.00 179.25 180.39 2k0f h PHE 85 N 0.91 0.62 -0.29 0.00 3.04 -0.47 -2.02 116.94 118.73 2k0f h PHE 85 Ca 0.20 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.19 2k0f h PHE 85 Cb 0.32 -0.16 -0.01 0.00 2.56 0.00 0.00 35.95 38.66 2k0f h PHE 85 CO 0.02 0.14 0.20 -0.09 -2.02 0.00 0.00 178.31 176.56 2k0f h ARG 86 N 0.54 0.36 0.08 1.11 2.43 -1.00 -1.87 114.38 116.03 2k0f h ARG 86 Ca 0.41 -0.02 -0.27 0.00 -0.81 0.00 0.00 59.98 59.29 2k0f h ARG 86 Cb 0.55 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2k0f h ARG 86 CO -0.35 0.24 -1.13 0.28 -1.51 0.00 0.00 179.97 177.50 2k0f h VAL 87 N 0.38 1.37 0.00 0.20 2.07 -1.23 -3.26 116.25 115.77 2k0f h VAL 87 Ca 0.11 -2.57 0.00 0.00 0.82 0.00 0.00 66.70 65.06 2k0f h VAL 87 Cb -0.01 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 2k0f h VAL 87 CO -0.02 0.77 0.00 0.49 0.02 0.00 0.00 177.57 178.83 2k0f n PHE 88 N -3.72 0.00 -1.70 1.57 3.72 -1.09 -4.83 117.46 111.40 2k0f n PHE 88 Ca -0.10 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.88 2k0f n PHE 88 Cb 0.94 -0.49 -0.03 0.00 -0.94 0.00 0.00 39.48 38.95 2k0f n PHE 88 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2k0f s ASP 89 N -2.06 6.42 -0.18 4.37 -1.08 -0.71 -4.81 116.67 118.62 2k0f s ASP 89 Ca 0.00 2.77 -0.15 0.00 -0.52 0.00 0.00 52.55 54.65 2k0f s ASP 89 Cb 0.00 -2.56 -0.08 0.00 -1.46 0.00 0.00 42.92 38.82 2k0f s ASP 89 CO 0.00 -1.02 -0.19 1.17 0.52 0.00 0.00 175.17 175.65 2k0f n LYS 90 N 5.85 0.51 -0.07 4.34 4.81 -1.26 -4.32 118.16 128.02 2k0f n LYS 90 Ca 0.18 0.40 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 2k0f n LYS 90 Cb 0.38 -1.59 0.29 0.00 0.02 0.00 0.00 35.03 34.13 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 0.62 -0.65 3.14 3.04 -1.94 -3.47 116.42 116.16 2k0f h ASP 91 Ca -0.16 -0.08 0.00 0.00 -3.24 0.00 0.00 57.03 53.56 2k0f h ASP 91 Cb 0.95 -0.16 0.00 0.00 -1.04 0.00 0.00 39.33 39.08 2k0f h ASP 91 CO -0.09 0.58 0.00 0.61 -2.04 0.00 0.00 179.24 178.29 2k0f n GLY 92 N -1.09 0.90 0.11 7.15 0.00 -1.26 -5.02 105.19 105.99 2k0f n GLY 92 Ca 0.04 -0.37 -0.14 0.00 0.00 0.00 0.00 46.02 45.55 2k0f n GLY 92 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k0f n ASN 93 N 0.65 1.11 0.00 1.61 6.94 -1.26 -4.96 115.26 119.35 2k0f n ASN 93 Ca 0.00 0.05 0.00 0.00 -0.02 0.00 0.00 54.58 54.61 2k0f n ASN 93 Cb 0.28 0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.79 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k0f n GLY 94 N 1.92 0.75 3.00 4.83 0.00 -1.26 -5.11 105.19 109.32 2k0f n GLY 94 Ca -0.34 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 2k0f n GLY 94 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k0f s TYR 95 N -1.71 1.05 -0.42 1.61 2.02 -1.26 -3.71 117.35 114.94 2k0f s TYR 95 Ca 0.00 -0.30 -0.14 0.00 -0.37 0.00 0.00 57.07 56.27 2k0f s TYR 95 Cb 0.00 -0.77 0.04 0.00 -0.40 0.00 0.00 41.96 40.83 2k0f s TYR 95 CO 0.00 -0.15 0.30 0.42 -1.57 0.00 0.00 175.55 174.55 2k0f s ILE 96 N 0.36 4.99 0.73 2.71 1.01 -0.17 -4.84 121.20 126.00 2k0f s ILE 96 Ca -0.06 -0.89 -0.11 0.00 0.00 0.00 0.00 60.65 59.59 2k0f s ILE 96 Cb -0.11 -3.86 0.04 0.00 0.01 0.00 0.00 42.46 38.54 2k0f s ILE 96 CO 0.01 -0.38 1.11 -0.94 0.00 0.00 0.00 174.94 174.74 2k0f s SER 97 N 1.94 5.11 0.38 3.58 1.04 -1.26 -1.08 113.70 123.40 2k0f s SER 97 Ca 0.04 0.96 0.08 0.00 0.48 0.00 0.00 55.95 57.50 2k0f s SER 97 Cb -0.21 -1.65 0.74 0.00 0.10 0.00 0.00 66.02 65.00 2k0f s SER 97 CO 0.08 -1.53 1.92 0.00 0.98 0.00 0.00 173.24 174.68 2k0f h ALA 98 N -0.76 1.49 -0.29 5.32 0.00 -1.94 -2.13 119.26 120.96 2k0f h ALA 98 Ca -0.45 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.27 2k0f h ALA 98 Cb 1.28 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2k0f h ALA 98 CO 0.64 0.36 0.16 0.00 0.00 0.00 0.00 179.25 180.42 2k0f h ALA 99 N 1.62 0.36 -0.12 0.00 0.00 -1.98 0.12 119.26 119.26 2k0f h ALA 99 Ca 0.07 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2k0f h ALA 99 Cb 0.32 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2k0f h ALA 99 CO 0.01 -0.12 -0.15 0.93 0.00 0.00 0.00 179.25 179.92 2k0f h GLU 100 N 0.35 0.31 -0.59 0.00 5.08 -1.78 -2.09 114.58 115.87 2k0f h GLU 100 Ca 0.10 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2k0f h GLU 100 Cb 0.04 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 2k0f h GLU 100 CO -0.02 0.74 0.39 1.25 -1.00 0.00 0.00 179.01 180.37 2k0f h LEU 101 N -0.10 0.66 0.22 1.33 5.85 -1.33 -2.67 115.31 119.27 2k0f h LEU 101 Ca 0.01 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2k0f h LEU 101 Cb 0.70 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.57 2k0f h LEU 101 CO 0.04 0.48 -0.10 -0.09 -0.34 0.00 0.00 178.44 178.42 2k0f h ARG 102 N 0.78 -0.28 -0.70 1.25 2.43 -0.73 -1.68 114.38 115.45 2k0f h ARG 102 Ca 0.22 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 2k0f h ARG 102 Cb -0.07 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 2k0f h ARG 102 CO -0.05 0.03 0.37 1.25 -1.51 0.00 0.00 179.97 180.06 2k0f h HIS 103 N -0.61 0.95 0.14 2.20 2.76 -1.13 0.52 115.15 119.98 2k0f h HIS 103 Ca -0.03 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.11 2k0f h HIS 103 Cb 0.44 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.10 2k0f h HIS 103 CO 0.02 0.66 -0.07 0.28 -1.30 0.00 0.00 177.93 177.53 2k0f h VAL 104 N 0.97 0.94 -0.38 5.26 2.07 -1.51 -0.63 116.25 122.98 2k0f h VAL 104 Ca 0.25 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.46 2k0f h VAL 104 Cb 0.04 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 2k0f h VAL 104 CO -0.04 0.08 0.15 0.24 0.02 0.00 0.00 177.57 178.02 2k0f h MET 105 N -0.36 0.30 -0.93 1.57 2.07 -1.00 -2.27 114.93 114.32 2k0f h MET 105 Ca -0.02 -0.02 0.06 0.00 -2.07 0.00 0.00 59.70 57.65 2k0f h MET 105 Cb 0.28 -0.07 -0.06 0.00 -1.87 0.00 0.00 31.60 29.89 2k0f h MET 105 CO 0.03 0.20 0.61 1.15 1.07 0.00 0.00 176.91 179.97 2k0f h THR 106 N 0.31 1.10 0.00 2.22 2.02 -0.83 0.12 112.91 117.85 2k0f h THR 106 Ca 0.17 -0.38 -0.08 0.00 0.77 0.00 0.00 66.41 66.89 2k0f h THR 106 Cb 0.13 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.43 2k0f h THR 106 CO -0.16 0.20 -0.58 0.78 0.37 0.00 0.00 175.52 176.13 2k0f h ASN 107 N 1.10 0.00 0.03 4.18 2.35 -0.95 -3.27 115.58 119.01 2k0f h ASN 107 Ca 0.39 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.14 2k0f h ASN 107 Cb 0.14 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.51 2k0f h ASN 107 CO -0.14 0.35 -0.01 -0.07 -1.65 0.00 0.00 177.43 175.91 2k0f h LEU 108 N 0.00 -0.03 0.00 1.61 3.38 -1.30 -3.41 115.31 115.56 2k0f h LEU 108 Ca -0.03 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.33 2k0f h LEU 108 Cb 1.29 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2k0f h LEU 108 CO 0.04 0.62 0.00 0.61 0.09 0.00 0.00 178.44 179.80 2k0f n GLY 109 N 0.70 0.00 3.85 0.83 0.00 -0.60 -4.80 105.19 105.18 2k0f n GLY 109 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 3.30 -0.13 1.61 0.41 -0.07 -5.00 118.70 118.82 2k0f s GLU 110 Ca 0.00 -0.36 -0.29 0.00 -0.41 0.00 0.00 54.97 53.91 2k0f s GLU 110 Cb 0.00 -3.02 -0.01 0.00 -1.78 0.00 0.00 34.13 29.32 2k0f s GLU 110 CO 0.00 0.68 1.00 0.21 -0.49 0.00 0.00 175.26 176.66 2k0f s LYS 111 N -1.73 4.39 -0.07 1.61 2.36 -1.26 -4.47 119.74 120.57 2k0f s LYS 111 Ca 0.24 1.37 -0.09 0.00 -2.55 0.00 0.00 55.97 54.94 2k0f s LYS 111 Cb -0.12 -3.56 0.02 0.00 -1.05 0.00 0.00 37.83 33.12 2k0f s LYS 111 CO 0.15 -0.37 0.23 -1.17 1.55 0.00 0.00 175.35 175.75 2k0f s LEU 112 N 2.21 1.13 0.44 5.43 2.96 -1.26 -5.10 118.68 124.49 2k0f s LEU 112 Ca 0.47 0.35 0.03 0.00 -0.22 0.00 0.00 54.13 54.77 2k0f s LEU 112 Cb -0.18 0.84 -0.02 0.00 0.50 0.00 0.00 46.19 47.34 2k0f s LEU 112 CO 0.16 -0.15 0.11 0.42 -1.32 0.00 0.00 176.35 175.56 2k0f s THR 113 N -0.21 0.66 0.09 3.68 -4.23 -1.26 -5.04 115.64 109.33 2k0f s THR 113 Ca -0.03 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.39 2k0f s THR 113 Cb -0.03 -2.26 -0.24 0.00 1.34 0.00 0.00 72.50 71.30 2k0f s THR 113 CO 0.01 0.00 1.19 0.44 -0.54 0.00 0.00 174.62 175.72 2k0f h ASP 114 N 1.66 0.65 -0.24 3.99 3.32 -2.02 -2.61 116.42 121.18 2k0f h ASP 114 Ca -0.36 -0.59 0.05 0.00 0.02 0.00 0.00 57.03 56.15 2k0f h ASP 114 Cb 1.28 -0.20 -0.07 0.00 0.22 0.00 0.00 39.33 40.56 2k0f h ASP 114 CO 0.59 1.41 -0.44 -0.08 -1.72 0.00 0.00 179.24 179.00 2k0f h GLU 115 N 0.22 -0.42 -0.06 3.56 4.81 -2.01 -3.15 114.58 117.54 2k0f h GLU 115 Ca -0.13 0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 58.92 2k0f h GLU 115 Cb 1.79 0.10 -0.00 0.00 0.63 0.00 0.00 28.75 31.26 2k0f h GLU 115 CO 0.20 -0.28 -0.81 1.49 -0.73 0.00 0.00 179.01 178.88 2k0f h GLU 116 N -0.44 0.44 -0.77 1.92 4.81 -1.96 -3.19 114.58 115.40 2k0f h GLU 116 Ca 0.09 -0.40 -0.03 0.00 -0.13 0.00 0.00 59.36 58.89 2k0f h GLU 116 Cb 0.61 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.06 2k0f h GLU 116 CO -0.47 1.05 0.35 -0.24 -0.73 0.00 0.00 179.01 178.97 2k0f h VAL 117 N 0.28 1.25 -0.20 0.32 3.04 -1.52 -1.96 116.25 117.46 2k0f h VAL 117 Ca -0.05 -0.71 -0.09 0.00 -1.01 0.00 0.00 66.70 64.84 2k0f h VAL 117 Cb 1.42 0.28 -0.01 0.00 -2.01 0.00 0.00 31.29 30.96 2k0f h VAL 117 CO 0.14 0.30 -0.26 -0.78 -1.01 0.00 0.00 177.57 175.96 2k0f h ASP 118 N 1.10 0.37 0.04 3.17 3.58 -1.59 -1.34 116.42 121.74 2k0f h ASP 118 Ca 0.26 -0.12 -0.11 0.00 0.42 0.00 0.00 57.03 57.49 2k0f h ASP 118 Cb 0.14 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 2k0f h ASP 118 CO -0.03 0.63 -0.35 -0.08 -2.88 0.00 0.00 179.24 176.53 2k0f h GLU 119 N 0.33 0.43 0.01 0.28 4.81 -1.41 -0.70 114.58 118.32 2k0f h GLU 119 Ca 0.05 -0.19 -0.06 0.00 -0.13 0.00 0.00 59.36 59.02 2k0f h GLU 119 Cb 0.63 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.01 2k0f h GLU 119 CO 0.05 0.73 -0.26 1.98 -0.73 0.00 0.00 179.01 180.77 2k0f h MET 120 N 0.37 0.16 -0.65 1.92 4.05 -1.34 -2.40 114.93 117.03 2k0f h MET 120 Ca 0.04 -0.18 0.14 0.00 -0.28 0.00 0.00 59.70 59.42 2k0f h MET 120 Cb 0.79 0.05 -0.12 0.00 -0.80 0.00 0.00 31.60 31.52 2k0f h MET 120 CO 0.06 0.95 -0.08 0.82 0.23 0.00 0.00 176.91 178.89 2k0f h ILE 121 N -0.55 0.39 -0.98 1.77 1.08 -1.16 -2.45 117.51 115.61 2k0f h ILE 121 Ca -0.03 -0.02 0.12 0.00 -0.39 0.00 0.00 64.86 64.53 2k0f h ILE 121 Cb 1.05 0.34 -0.08 0.00 -3.07 0.00 0.00 36.82 35.05 2k0f h ILE 121 CO 0.05 0.01 0.61 -0.09 -0.69 0.00 0.00 178.15 178.04 2k0f h ARG 122 N 0.05 0.95 -0.51 2.37 2.43 -1.12 -2.73 114.38 115.82 2k0f h ARG 122 Ca 0.33 -0.06 0.08 0.00 -0.81 0.00 0.00 59.98 59.52 2k0f h ARG 122 Cb 0.54 -0.21 -0.06 0.00 -0.42 0.00 0.00 29.97 29.81 2k0f h ARG 122 CO -0.62 0.63 0.15 1.49 -1.51 0.00 0.00 179.97 180.11 2k0f h GLU 123 N 0.98 0.30 -0.53 0.20 4.81 -0.94 -3.01 114.58 116.40 2k0f h GLU 123 Ca 0.48 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.66 2k0f h GLU 123 Cb 0.46 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 2k0f h GLU 123 CO -0.26 0.20 0.21 0.00 -0.73 0.00 0.00 179.01 178.43 2k0f h ALA 124 N 1.36 0.69 -2.56 2.92 0.00 -1.39 -3.46 119.26 116.83 2k0f h ALA 124 Ca 0.25 -0.16 -0.54 0.00 0.00 0.00 0.00 54.91 54.46 2k0f h ALA 124 Cb 0.30 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2k0f h ALA 124 CO -0.28 0.31 0.28 0.34 0.00 0.00 0.00 179.25 179.89 2k0f s ASP 125 N -6.03 7.31 -0.22 0.00 2.15 -1.05 -4.83 116.67 114.00 2k0f s ASP 125 Ca -0.13 1.58 -0.01 0.00 0.43 0.00 0.00 52.55 54.42 2k0f s ASP 125 Cb 0.12 -2.53 -0.14 0.00 -0.30 0.00 0.00 42.92 40.08 2k0f s ASP 125 CO 0.78 -0.12 -0.22 -0.38 -0.17 0.00 0.00 175.17 175.06 2k0f n ILE 126 N 3.31 1.27 0.00 4.11 5.41 -1.26 -4.88 119.36 127.32 2k0f n ILE 126 Ca 0.02 -0.45 0.00 0.00 1.00 0.00 0.00 62.75 63.32 2k0f n ILE 126 Cb 0.50 -1.40 0.00 0.00 -0.71 0.00 0.00 39.64 38.04 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 -3.34 0.00 0.00 4.38 5.68 -1.26 -5.01 116.55 117.00 2k0f n ASP 127 Ca -0.41 0.35 0.00 0.00 -0.50 0.00 0.00 54.79 54.23 2k0f n ASP 127 Cb 0.90 -0.11 0.00 0.00 -1.14 0.00 0.00 41.12 40.76 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 0.96 0.00 0.10 6.12 0.00 -1.26 -5.09 105.19 106.02 2k0f n GLY 128 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 0.17 0.00 1.61 3.04 -1.98 -3.49 116.42 115.77 2k0f h ASP 129 Ca 0.00 -0.81 0.00 0.00 -3.24 0.00 0.00 57.03 52.98 2k0f h ASP 129 Cb 0.00 -0.06 0.00 0.00 -1.04 0.00 0.00 39.33 38.23 2k0f h ASP 129 CO 0.00 1.38 0.00 0.61 -2.04 0.00 0.00 179.24 179.19 2k0f n GLY 130 N 1.61 0.80 3.21 7.15 0.00 -1.26 -5.11 105.19 111.58 2k0f n GLY 130 Ca -0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.41 2.70 -0.32 1.61 -0.21 -1.26 -4.69 119.66 117.07 2k0f s GLN 131 Ca 0.00 -0.82 -0.29 0.00 0.02 0.00 0.00 55.36 54.27 2k0f s GLN 131 Cb 0.00 -2.12 0.01 0.00 1.00 0.00 0.00 33.01 31.89 2k0f s GLN 131 CO 0.00 0.22 1.24 0.08 -2.12 0.00 0.00 175.29 174.71 2k0f s VAL 132 N 0.21 4.23 0.73 1.09 1.01 -0.24 -4.78 120.40 122.65 2k0f s VAL 132 Ca -0.13 1.38 -0.03 0.00 0.00 0.00 0.00 61.98 63.19 2k0f s VAL 132 Cb -0.16 -4.26 0.12 0.00 0.00 0.00 0.00 36.38 32.07 2k0f s VAL 132 CO 0.07 -0.54 1.01 0.54 0.00 0.00 0.00 175.10 176.18 2k0f s ASN 133 N 2.53 4.37 0.09 3.32 2.20 -1.26 -0.99 114.94 125.18 2k0f s ASN 133 Ca 0.53 -0.16 -0.23 0.00 -0.94 0.00 0.00 52.86 52.06 2k0f s ASN 133 Cb -0.15 -0.27 -0.15 0.00 -2.00 0.00 0.00 41.25 38.69 2k0f s ASN 133 CO 0.22 -1.85 1.72 0.22 -2.94 0.00 0.00 177.10 174.48 2k0f h TYR 134 N -0.59 0.02 -0.98 1.54 3.20 -1.96 -1.79 116.97 116.40 2k0f h TYR 134 Ca -0.39 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.50 2k0f h TYR 134 Cb 1.27 -0.01 -0.05 0.00 1.54 0.00 0.00 36.73 39.48 2k0f h TYR 134 CO -0.18 0.03 0.65 1.49 -1.64 0.00 0.00 178.16 178.51 2k0f h GLU 135 N -0.00 1.26 -0.19 1.82 4.81 -1.95 0.33 114.58 120.66 2k0f h GLU 135 Ca 0.00 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.10 2k0f h GLU 135 Cb 0.02 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 2k0f h GLU 135 CO -0.00 0.83 -0.13 0.93 -0.73 0.00 0.00 179.01 179.91 2k0f h GLU 136 N 1.30 0.30 0.08 1.92 5.08 -1.87 0.14 114.58 121.52 2k0f h GLU 136 Ca 0.37 -0.07 -0.18 0.00 -1.00 0.00 0.00 59.36 58.49 2k0f h GLU 136 Cb -0.09 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.14 2k0f h GLU 136 CO -0.10 0.44 -0.73 0.35 -1.00 0.00 0.00 179.01 177.96 2k0f h PHE 137 N 0.28 0.59 0.09 4.33 3.57 -0.31 -3.13 116.94 122.36 2k0f h PHE 137 Ca 0.06 -0.38 -0.28 0.00 3.53 0.00 0.00 57.97 60.90 2k0f h PHE 137 Cb 0.41 -0.05 0.02 0.00 2.79 0.00 0.00 35.95 39.12 2k0f h PHE 137 CO 0.01 1.24 -1.17 0.28 -2.23 0.00 0.00 178.31 176.44 2k0f h VAL 138 N -0.23 1.35 0.00 1.41 2.07 -0.12 -2.25 116.25 118.48 2k0f h VAL 138 Ca -0.11 -2.57 -0.08 0.00 0.82 0.00 0.00 66.70 64.76 2k0f h VAL 138 Cb 1.50 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 33.93 2k0f h VAL 138 CO 0.14 0.77 -0.37 1.56 0.02 0.00 0.00 177.57 179.69 2k0f h GLN 139 N 0.23 0.00 -0.16 1.57 1.08 -0.90 -2.81 115.11 114.11 2k0f h GLN 139 Ca -0.15 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.00 2k0f h GLN 139 Cb 1.85 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 29.27 2k0f h GLN 139 CO 0.21 0.37 -0.08 1.98 -0.95 0.00 0.00 178.83 180.36 2k0f h MET 140 N 0.00 0.35 -0.01 1.46 1.85 -1.56 -3.35 114.93 113.67 2k0f h MET 140 Ca -0.00 -0.15 -0.24 0.00 -0.61 0.00 0.00 59.70 58.70 2k0f h MET 140 Cb 1.18 -0.01 0.01 0.00 0.43 0.00 0.00 31.60 33.21 2k0f h MET 140 CO 0.05 0.66 -0.96 0.52 -0.40 0.00 0.00 176.91 176.78 2k0f h MET 141 N 0.02 0.52 0.00 0.39 2.86 -1.42 -3.51 114.93 113.80 2k0f h MET 141 Ca 0.04 -0.55 0.00 0.00 -2.06 0.00 0.00 59.70 57.13 2k0f h MET 141 Cb 0.56 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.37 2k0f h MET 141 CO 0.02 1.18 0.00 -2.37 1.06 0.00 0.00 176.91 176.80