#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 -0.75 -0.78 4.39 -2.06 -1.54 114.58 113.84 2k0f h GLU 2 Ca 0.00 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.82 2k0f h GLU 2 Cb 0.00 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.57 2k0f h GLU 2 CO 0.00 0.18 0.35 0.93 -1.16 0.00 0.00 179.01 179.31 2k0f h GLU 3 N 0.00 0.52 -0.04 2.33 3.07 -2.05 -2.43 114.58 115.99 2k0f h GLU 3 Ca -0.00 -0.03 -0.21 0.00 -0.50 0.00 0.00 59.36 58.62 2k0f h GLU 3 Cb 0.48 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 2k0f h GLU 3 CO 0.02 0.35 -0.86 1.96 -1.40 0.00 0.00 179.01 179.08 2k0f h GLN 4 N 0.54 0.44 -0.72 2.33 4.20 -1.70 -2.44 115.11 117.76 2k0f h GLN 4 Ca 0.39 -0.42 0.09 0.00 0.06 0.00 0.00 58.65 58.78 2k0f h GLN 4 Cb 0.52 0.11 -0.07 0.00 0.30 0.00 0.00 27.48 28.33 2k0f h GLN 4 CO -0.34 1.07 0.36 0.82 -0.67 0.00 0.00 178.83 180.07 2k0f h ILE 5 N 0.27 0.85 -0.88 2.54 1.08 -1.26 0.27 117.51 120.38 2k0f h ILE 5 Ca -0.06 -0.21 0.11 0.00 -0.39 0.00 0.00 64.86 64.31 2k0f h ILE 5 Cb 1.47 0.18 -0.08 0.00 -3.07 0.00 0.00 36.82 35.33 2k0f h ILE 5 CO 0.15 0.11 0.51 0.00 -0.69 0.00 0.00 178.15 178.23 2k0f h ALA 6 N 1.43 1.28 0.00 1.87 0.00 -1.41 0.36 119.26 122.79 2k0f h ALA 6 Ca 0.35 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.19 2k0f h ALA 6 Cb 0.37 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2k0f h ALA 6 CO -0.27 0.10 -0.78 1.49 0.00 0.00 0.00 179.25 179.79 2k0f h GLU 7 N 0.81 0.00 0.15 0.00 4.81 -0.73 -0.58 114.58 119.04 2k0f h GLU 7 Ca 0.44 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 59.33 2k0f h GLU 7 Cb 0.45 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 2k0f h GLU 7 CO -0.27 0.41 -1.73 0.74 -0.73 0.00 0.00 179.01 177.42 2k0f h PHE 8 N 0.00 0.56 -0.68 0.92 0.04 -0.51 -3.26 116.94 114.00 2k0f h PHE 8 Ca -0.05 -0.41 -0.00 0.00 2.80 0.00 0.00 57.97 60.31 2k0f h PHE 8 Cb 1.42 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 39.51 2k0f h PHE 8 CO 0.00 1.58 0.41 -0.22 -0.60 0.00 0.00 178.31 179.48 2k0f h LYS 9 N 0.08 0.93 0.00 1.51 3.64 -0.57 -0.73 116.57 121.42 2k0f h LYS 9 Ca -0.33 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 58.93 2k0f h LYS 9 Cb 2.06 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 33.68 2k0f h LYS 9 CO 0.15 0.66 -0.18 0.93 -2.27 0.00 0.00 179.45 178.74 2k0f h GLU 10 N 0.93 0.00 0.01 1.90 4.39 -1.27 -2.44 114.58 118.10 2k0f h GLU 10 Ca 0.25 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.75 2k0f h GLU 10 Cb -0.03 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 2k0f h GLU 10 CO -0.05 0.18 -0.89 0.00 -1.16 0.00 0.00 179.01 177.09 2k0f h ALA 11 N 1.82 0.52 -0.50 3.43 0.00 -1.33 -3.13 119.26 120.07 2k0f h ALA 11 Ca -0.00 -0.77 -0.01 0.00 0.00 0.00 0.00 54.91 54.13 2k0f h ALA 11 Cb 0.35 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2k0f h ALA 11 CO 0.02 1.01 0.26 0.35 0.00 0.00 0.00 179.25 180.90 2k0f h PHE 12 N 0.04 0.68 0.00 0.00 3.57 -0.91 -2.90 116.94 117.42 2k0f h PHE 12 Ca -0.03 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.42 2k0f h PHE 12 Cb 1.55 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 40.07 2k0f h PHE 12 CO 0.01 0.49 -0.19 1.03 -2.23 0.00 0.00 178.31 177.42 2k0f h SER 13 N 0.70 0.00 0.22 0.41 0.87 -1.38 -1.72 113.55 112.65 2k0f h SER 13 Ca 0.18 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.45 2k0f h SER 13 Cb 0.04 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.04 2k0f h SER 13 CO -0.03 0.19 -1.28 -0.07 -0.53 0.00 0.00 176.83 175.11 2k0f h LEU 14 N 0.00 0.73 -0.53 2.23 3.38 -1.56 -3.31 115.31 116.25 2k0f h LEU 14 Ca -0.00 -0.93 -0.09 0.00 0.09 0.00 0.00 57.88 56.95 2k0f h LEU 14 Cb 0.60 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2k0f h LEU 14 CO 0.02 1.62 -0.44 -0.26 0.09 0.00 0.00 178.44 179.48 2k0f h PHE 15 N -0.02 0.00 -3.54 1.13 0.04 -1.50 -3.43 116.94 109.62 2k0f h PHE 15 Ca -0.23 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 59.94 2k0f h PHE 15 Cb 2.01 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 40.05 2k0f h PHE 15 CO 0.15 0.44 0.47 0.34 -0.60 0.00 0.00 178.31 179.11 2k0f s ASP 16 N -6.43 6.57 -0.08 2.17 2.15 -0.68 -4.62 116.67 115.75 2k0f s ASP 16 Ca 0.02 0.36 -0.26 0.00 0.43 0.00 0.00 52.55 53.10 2k0f s ASP 16 Cb 0.09 -2.42 -0.25 0.00 -0.30 0.00 0.00 42.92 40.04 2k0f s ASP 16 CO 0.71 -0.82 0.93 0.11 -0.17 0.00 0.00 175.17 175.93 2k0f h LYS 17 N 8.59 0.11 0.41 4.34 1.79 -1.85 -3.36 116.57 126.60 2k0f h LYS 17 Ca -0.24 -0.14 -0.02 0.00 -2.18 0.00 0.00 60.65 58.07 2k0f h LYS 17 Cb 1.09 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 2k0f h LYS 17 CO 0.95 0.96 -0.20 -0.44 -1.08 0.00 0.00 179.45 179.64 2k0f h ASP 18 N -0.67 -0.46 0.00 0.86 3.32 -1.91 -3.49 116.42 114.06 2k0f h ASP 18 Ca -0.03 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2k0f h ASP 18 Cb 1.04 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.71 2k0f h ASP 18 CO 0.04 -0.27 0.00 0.61 -1.72 0.00 0.00 179.24 177.90 2k0f n GLY 19 N -0.63 1.91 0.09 2.75 0.00 -1.26 -5.05 105.19 103.01 2k0f n GLY 19 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 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 0.04 0.00 1.61 2.03 -1.95 -3.48 116.42 114.67 2k0f h ASP 20 Ca 0.00 -0.09 0.00 0.00 -0.73 0.00 0.00 57.03 56.21 2k0f h ASP 20 Cb 0.00 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 38.49 2k0f h ASP 20 CO 0.00 1.08 0.00 0.61 -1.03 0.00 0.00 179.24 179.90 2k0f n GLY 21 N 1.59 1.07 3.32 7.15 0.00 -1.26 -5.13 105.19 111.93 2k0f n GLY 21 Ca -0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 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 1.87 -0.34 2.61 -4.23 -1.26 -3.70 115.64 108.58 2k0f s THR 22 Ca 0.00 -1.67 -0.09 0.00 -1.18 0.00 0.00 61.69 58.75 2k0f s THR 22 Cb 0.00 -1.71 0.02 0.00 1.34 0.00 0.00 72.50 72.14 2k0f s THR 22 CO 0.00 -0.07 0.16 -0.63 -0.54 0.00 0.00 174.62 173.53 2k0f s ILE 23 N -1.30 4.38 0.88 2.99 1.01 -0.33 -4.79 121.20 124.02 2k0f s ILE 23 Ca 0.10 -0.73 -0.13 0.00 0.00 0.00 0.00 60.65 59.88 2k0f s ILE 23 Cb -0.09 -3.35 0.13 0.00 0.01 0.00 0.00 42.46 39.15 2k0f s ILE 23 CO 0.05 -0.08 1.22 0.42 0.00 0.00 0.00 174.94 176.55 2k0f s THR 24 N 1.54 1.99 0.15 2.92 -4.23 -1.26 -1.41 115.64 115.34 2k0f s THR 24 Ca 0.02 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.40 2k0f s THR 24 Cb -0.18 -2.96 0.02 0.00 1.34 0.00 0.00 72.50 70.72 2k0f s THR 24 CO 0.05 0.00 1.63 0.71 -0.54 0.00 0.00 174.62 176.47 2k0f h THR 25 N -1.32 1.25 -0.93 3.99 1.35 -1.92 -2.73 112.91 112.61 2k0f h THR 25 Ca -0.46 -0.93 0.05 0.00 -0.55 0.00 0.00 66.41 64.52 2k0f h THR 25 Cb 1.30 0.91 -0.06 0.00 -1.73 0.00 0.00 68.15 68.57 2k0f h THR 25 CO 0.57 0.33 0.60 0.11 -0.25 0.00 0.00 175.52 176.87 2k0f h LYS 26 N 0.69 1.08 0.23 4.72 1.57 -1.98 -1.02 116.57 121.85 2k0f h LYS 26 Ca 0.15 -0.06 -0.32 0.00 -1.87 0.00 0.00 60.65 58.54 2k0f h LYS 26 Cb 0.40 -0.24 0.03 0.00 0.08 0.00 0.00 32.23 32.50 2k0f h LYS 26 CO 0.01 0.71 -1.43 0.93 -0.57 0.00 0.00 179.45 179.10 2k0f h GLU 27 N 1.11 0.48 0.04 3.15 5.08 -1.89 -2.69 114.58 119.85 2k0f h GLU 27 Ca 0.39 -0.82 -0.15 0.00 -1.00 0.00 0.00 59.36 57.79 2k0f h GLU 27 Cb 0.11 0.30 0.01 0.00 0.50 0.00 0.00 28.75 29.68 2k0f h GLU 27 CO -0.16 1.39 -0.61 1.25 -1.00 0.00 0.00 179.01 179.88 2k0f h LEU 28 N 0.13 0.48 -1.72 1.33 5.85 -1.42 -2.79 115.31 117.16 2k0f h LEU 28 Ca -0.23 -0.81 0.12 0.00 0.84 0.00 0.00 57.88 57.80 2k0f h LEU 28 Cb 2.13 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.97 2k0f h LEU 28 CO 0.26 1.24 0.41 1.23 -0.34 0.00 0.00 178.44 181.24 2k0f h GLY 29 N -0.23 0.45 0.93 3.75 0.00 -1.32 -1.28 103.07 105.37 2k0f h GLY 29 Ca -0.09 -0.12 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 2k0f h GLY 29 CO 0.12 0.06 0.05 -0.84 0.00 0.00 0.00 176.54 175.93 2k0f h THR 30 N 0.30 1.24 -0.13 4.70 2.02 -1.43 -2.04 112.91 117.57 2k0f h THR 30 Ca 0.29 -0.88 0.03 0.00 0.77 0.00 0.00 66.41 66.61 2k0f h THR 30 Cb 0.73 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 2k0f h THR 30 CO -0.07 0.30 -0.05 0.58 0.37 0.00 0.00 175.52 176.65 2k0f h VAL 31 N 0.49 0.83 -0.34 3.16 2.07 -0.98 -1.10 116.25 120.38 2k0f h VAL 31 Ca 0.12 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.71 2k0f h VAL 31 Cb 0.38 0.83 -0.08 0.00 -1.52 0.00 0.00 31.29 30.90 2k0f h VAL 31 CO 0.01 0.00 -0.23 0.24 0.02 0.00 0.00 177.57 177.61 2k0f h MET 32 N -0.03 -0.18 0.00 1.57 2.86 -1.28 -2.91 114.93 114.96 2k0f h MET 32 Ca 0.07 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2k0f h MET 32 Cb 0.13 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.83 2k0f h MET 32 CO -0.15 -0.12 0.00 0.54 1.06 0.00 0.00 176.91 178.24 2k0f n ARG 33 N -5.38 0.22 -0.22 1.72 1.74 -0.78 -1.61 116.66 112.34 2k0f n ARG 33 Ca 0.01 0.27 -0.05 0.00 -0.77 0.00 0.00 57.85 57.31 2k0f n ARG 33 Cb 0.30 -1.80 0.12 0.00 -1.02 0.00 0.00 32.46 30.06 2k0f n ARG 33 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 2k0f h SER 34 N 0.00 0.97 0.07 0.55 0.02 -1.01 -3.28 113.55 110.86 2k0f h SER 34 Ca 0.00 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.79 2k0f h SER 34 Cb 0.59 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2k0f h SER 34 CO 0.00 0.89 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.48 2k0f h LEU 35 N 1.01 -0.08 0.00 5.07 3.38 -1.34 -3.47 115.31 119.89 2k0f h LEU 35 Ca 0.23 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2k0f h LEU 35 Cb 0.26 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2k0f h LEU 35 CO -0.01 0.61 0.00 0.61 0.09 0.00 0.00 178.44 179.74 2k0f n GLY 36 N 1.22 0.00 3.20 0.83 0.00 -0.82 -5.13 105.19 104.49 2k0f n GLY 36 Ca -0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 2k0f n GLY 36 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k0f s GLN 37 N 0.00 0.36 -0.59 1.61 0.74 -0.64 -5.00 119.66 116.14 2k0f s GLN 37 Ca 0.00 0.57 -0.16 0.00 0.05 0.00 0.00 55.36 55.82 2k0f s GLN 37 Cb 0.00 0.07 0.14 0.00 1.10 0.00 0.00 33.01 34.32 2k0f s GLN 37 CO 0.00 -0.10 0.57 -0.80 -0.55 0.00 0.00 175.29 174.41 2k0f s ASN 38 N 0.74 6.28 0.52 6.67 0.01 -1.26 -2.89 114.94 125.01 2k0f s ASN 38 Ca -0.05 -1.89 0.00 0.00 -0.71 0.00 0.00 52.86 50.22 2k0f s ASN 38 Cb -0.06 -2.22 0.02 0.00 0.41 0.00 0.00 41.25 39.40 2k0f s ASN 38 CO -0.05 -0.85 0.75 -2.16 -1.51 0.00 0.00 177.10 173.28 2k0f s PRO 39 N 1.52 2.75 0.52 -0.60 0.04 -1.26 -5.10 135.00 132.85 2k0f s PRO 39 Ca 0.06 -0.61 -0.02 0.00 0.04 0.00 0.00 61.00 60.47 2k0f s PRO 39 Cb -0.26 -2.49 0.01 0.00 0.04 0.00 0.00 34.50 31.79 2k0f s PRO 39 CO 0.01 -0.56 0.77 0.95 0.04 0.00 0.00 177.00 178.21 2k0f s THR 40 N -2.71 3.69 0.28 1.26 -4.23 -1.26 -4.96 115.64 107.70 2k0f s THR 40 Ca 0.54 -0.34 0.09 0.00 -1.18 0.00 0.00 61.69 60.80 2k0f s THR 40 Cb -0.10 -3.40 -0.01 0.00 1.34 0.00 0.00 72.50 70.32 2k0f s THR 40 CO 0.39 -0.33 1.63 -0.33 -0.54 0.00 0.00 174.62 175.44 2k0f h GLU 41 N 0.14 0.06 0.17 3.99 4.39 -1.99 0.74 114.58 122.08 2k0f h GLU 41 Ca -0.45 -0.04 0.01 0.00 0.34 0.00 0.00 59.36 59.22 2k0f h GLU 41 Cb 1.26 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.88 2k0f h GLU 41 CO 0.58 0.62 -0.28 0.00 -1.16 0.00 0.00 179.01 178.77 2k0f h ALA 42 N 1.37 -0.51 -0.47 3.43 0.00 -1.98 -0.05 119.26 121.05 2k0f h ALA 42 Ca -0.01 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.93 2k0f h ALA 42 Cb 1.03 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 19.20 2k0f h ALA 42 CO 0.08 -0.83 0.08 0.93 0.00 0.00 0.00 179.25 179.51 2k0f h GLU 43 N -0.53 0.20 -0.62 0.00 5.08 -1.93 0.59 114.58 117.39 2k0f h GLU 43 Ca 0.02 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.47 2k0f h GLU 43 Cb 0.53 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.66 2k0f h GLU 43 CO -0.13 0.14 0.20 -0.07 -1.00 0.00 0.00 179.01 178.15 2k0f h LEU 44 N 0.21 0.16 -0.06 1.33 3.38 -0.72 -0.49 115.31 119.12 2k0f h LEU 44 Ca 0.24 0.09 -0.17 0.00 0.09 0.00 0.00 57.88 58.12 2k0f h LEU 44 Cb 0.31 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2k0f h LEU 44 CO -0.32 0.09 -0.83 -0.61 0.09 0.00 0.00 178.44 176.86 2k0f h GLN 45 N 0.36 0.00 -0.23 1.13 5.75 -0.71 -2.38 115.11 119.03 2k0f h GLN 45 Ca 0.32 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.74 2k0f h GLN 45 Cb 0.43 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.96 2k0f h GLN 45 CO -0.34 0.83 -0.20 0.22 -2.65 0.00 0.00 178.83 176.69 2k0f h ASP 46 N 0.00 0.41 0.20 -0.69 3.58 -0.67 0.67 116.42 119.90 2k0f h ASP 46 Ca -0.01 -0.12 0.01 0.00 0.42 0.00 0.00 57.03 57.34 2k0f h ASP 46 Cb 1.61 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 42.52 2k0f h ASP 46 CO 0.11 0.62 -0.29 0.24 -2.88 0.00 0.00 179.24 177.04 2k0f h MET 47 N 0.38 -0.53 0.03 0.28 2.86 -1.03 -1.08 114.93 115.83 2k0f h MET 47 Ca 0.06 0.04 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2k0f h MET 47 Cb 0.56 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.34 2k0f h MET 47 CO 0.04 -0.35 -0.01 0.82 1.06 0.00 0.00 176.91 178.46 2k0f h ILE 48 N -0.55 1.26 -0.96 -1.22 2.04 -0.86 -3.13 117.51 114.09 2k0f h ILE 48 Ca 0.01 -0.90 0.18 0.00 1.00 0.00 0.00 64.86 65.15 2k0f h ILE 48 Cb 0.54 1.86 -0.09 0.00 -0.74 0.00 0.00 36.82 38.39 2k0f h ILE 48 CO -0.12 0.23 0.61 0.78 0.00 0.00 0.00 178.15 179.65 2k0f h ASN 49 N -0.43 0.67 -0.86 1.72 4.21 0.33 -0.70 115.58 120.53 2k0f h ASN 49 Ca -0.00 0.07 0.10 0.00 1.21 0.00 0.00 56.30 57.67 2k0f h ASN 49 Cb 0.40 -0.06 -0.12 0.00 -1.12 0.00 0.00 38.32 37.42 2k0f h ASN 49 CO 0.01 0.28 -0.51 -0.08 -1.29 0.00 0.00 177.43 175.84 2k0f h GLU 50 N 0.68 -0.08 0.00 0.81 4.57 -1.13 -3.16 114.58 116.27 2k0f h GLU 50 Ca 0.52 0.01 -0.26 0.00 -1.18 0.00 0.00 59.36 58.44 2k0f h GLU 50 Cb 0.90 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.47 2k0f h GLU 50 CO -0.28 -0.05 -1.49 -0.39 -1.18 0.00 0.00 179.01 175.62 2k0f h VAL 51 N -0.08 1.06 -0.80 0.32 -1.51 -1.50 -3.46 116.25 110.28 2k0f h VAL 51 Ca 0.20 -2.85 -0.78 0.00 -1.23 0.00 0.00 66.70 62.04 2k0f h VAL 51 Cb 0.51 2.51 -0.01 0.00 -2.13 0.00 0.00 31.29 32.17 2k0f h VAL 51 CO -0.87 0.60 1.06 -0.67 -1.23 0.00 0.00 177.57 176.46 2k0f n ASP 52 N -3.12 1.45 -0.04 4.19 2.03 -0.32 -4.95 116.55 115.79 2k0f n ASP 52 Ca -0.12 0.88 -0.02 0.00 0.52 0.00 0.00 54.79 56.05 2k0f n ASP 52 Cb 1.01 -1.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.40 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 7.92 0.00 -0.01 -1.67 0.00 -1.90 -3.45 119.26 120.15 2k0f h ALA 53 Ca -0.31 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.38 2k0f h ALA 53 Cb 1.37 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 19.31 2k0f h ALA 53 CO 1.02 0.21 -0.53 0.38 0.00 0.00 0.00 179.25 180.33 2k0f h ASP 54 N -0.72 -1.64 0.00 0.00 3.04 -1.95 -3.46 116.42 111.68 2k0f h ASP 54 Ca 0.00 0.19 0.00 0.00 -3.24 0.00 0.00 57.03 53.98 2k0f h ASP 54 Cb 0.21 0.62 0.00 0.00 -1.04 0.00 0.00 39.33 39.12 2k0f h ASP 54 CO 0.00 -0.52 0.00 0.61 -2.04 0.00 0.00 179.24 177.29 2k0f n GLY 55 N -1.46 0.61 0.16 7.15 0.00 -1.26 -5.06 105.19 105.33 2k0f n GLY 55 Ca -0.07 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.97 -3.46 115.58 118.84 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 0.48 0.00 0.61 -2.08 0.00 0.00 177.43 176.44 2k0f n GLY 57 N 0.77 0.44 3.23 9.14 0.00 -1.26 -5.06 105.19 112.45 2k0f n GLY 57 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 2k0f n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k0f s THR 58 N -2.00 1.43 -0.39 2.61 -4.23 -1.26 -4.78 115.64 107.02 2k0f s THR 58 Ca 0.00 -1.44 -0.19 0.00 -1.18 0.00 0.00 61.69 58.88 2k0f s THR 58 Cb 0.00 -1.34 0.01 0.00 1.34 0.00 0.00 72.50 72.51 2k0f s THR 58 CO 0.00 -0.14 0.56 -0.63 -0.54 0.00 0.00 174.62 173.87 2k0f s ILE 59 N -1.23 4.95 0.58 2.99 1.01 -0.50 -4.85 121.20 124.15 2k0f s ILE 59 Ca 0.03 0.21 -0.04 0.00 0.00 0.00 0.00 60.65 60.85 2k0f s ILE 59 Cb -0.10 -4.07 0.02 0.00 0.01 0.00 0.00 42.46 38.33 2k0f s ILE 59 CO 0.03 -0.38 0.86 -1.81 0.00 0.00 0.00 174.94 173.64 2k0f s ASP 60 N 1.85 5.39 0.21 3.58 1.11 -1.26 -1.19 116.67 126.35 2k0f s ASP 60 Ca 0.20 0.43 -0.11 0.00 0.18 0.00 0.00 52.55 53.25 2k0f s ASP 60 Cb -0.15 -1.37 0.15 0.00 1.07 0.00 0.00 42.92 42.63 2k0f s ASP 60 CO 0.15 -1.14 1.87 0.15 1.18 0.00 0.00 175.17 177.38 2k0f h PHE 61 N -0.12 0.90 0.00 4.23 3.57 -1.96 -1.68 116.94 121.88 2k0f h PHE 61 Ca -0.45 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.08 2k0f h PHE 61 Cb 1.28 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.71 2k0f h PHE 61 CO 0.42 0.56 0.00 -1.35 -2.23 0.00 0.00 178.31 175.70 2k0f h PRO 62 N 0.97 0.00 0.13 6.41 0.11 -1.95 -1.30 132.00 136.36 2k0f h PRO 62 Ca 0.27 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 66.12 2k0f h PRO 62 Cb -0.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.02 2k0f h PRO 62 CO -0.07 0.00 -1.31 0.93 -0.21 0.00 0.00 178.00 177.34 2k0f h GLU 63 N 0.00 0.27 -0.67 1.05 5.08 -1.68 -3.10 114.58 115.52 2k0f h GLU 63 Ca 0.00 -0.46 0.08 0.00 -1.00 0.00 0.00 59.36 57.98 2k0f h GLU 63 Cb 0.05 0.17 -0.10 0.00 0.50 0.00 0.00 28.75 29.36 2k0f h GLU 63 CO 0.00 1.22 -0.53 0.35 -1.00 0.00 0.00 179.01 179.05 2k0f h PHE 64 N -0.29 -1.63 -0.26 4.33 3.57 -1.22 0.52 116.94 121.95 2k0f h PHE 64 Ca -0.27 0.10 0.03 0.00 3.53 0.00 0.00 57.97 61.35 2k0f h PHE 64 Cb 1.76 0.80 -0.04 0.00 2.79 0.00 0.00 35.95 41.26 2k0f h PHE 64 CO 0.14 -0.43 -0.26 1.25 -2.23 0.00 0.00 178.31 176.78 2k0f h LEU 65 N -0.21 -0.88 -0.01 0.59 5.85 -1.37 -1.04 115.31 118.25 2k0f h LEU 65 Ca 0.14 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.98 2k0f h LEU 65 Cb 0.53 0.37 0.00 0.00 0.37 0.00 0.00 40.66 41.93 2k0f h LEU 65 CO -0.75 -0.16 0.00 0.35 -0.34 0.00 0.00 178.44 177.54 2k0f n THR 66 N -3.94 0.17 -0.03 1.05 -2.24 -1.08 0.02 114.28 108.24 2k0f n THR 66 Ca -0.01 -0.03 -0.14 0.00 -2.27 0.00 0.00 64.05 61.61 2k0f n THR 66 Cb 0.14 -0.56 -0.10 0.00 -2.10 0.00 0.00 70.33 67.72 2k0f n THR 66 CO 0.00 0.00 0.00 -0.03 -0.57 0.00 0.00 175.07 174.47 2k0f h MET 67 N 0.00 0.15 0.07 -0.78 1.85 -0.50 -3.10 114.93 112.61 2k0f h MET 67 Ca 0.00 -0.11 -0.28 0.00 -0.61 0.00 0.00 59.70 58.70 2k0f h MET 67 Cb 0.52 0.02 0.02 0.00 0.43 0.00 0.00 31.60 32.59 2k0f h MET 67 CO 0.00 0.74 -1.15 0.52 -0.40 0.00 0.00 176.91 176.63 2k0f h MET 68 N -0.42 0.62 0.00 0.39 2.86 -1.06 -3.24 114.93 114.09 2k0f h MET 68 Ca -0.01 -0.76 0.00 0.00 -2.06 0.00 0.00 59.70 56.88 2k0f h MET 68 Cb 0.76 0.24 0.00 0.00 0.06 0.00 0.00 31.60 32.65 2k0f h MET 68 CO 0.03 1.33 0.00 0.00 1.06 0.00 0.00 176.91 179.33 2k0f n ALA 69 N -2.65 2.08 -2.67 6.32 0.00 0.10 -4.68 120.51 119.01 2k0f n ALA 69 Ca -0.12 -0.08 -0.42 0.00 0.00 0.00 0.00 53.44 52.82 2k0f n ALA 69 Cb 0.94 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 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 4.33 0.01 0.00 3.52 -1.17 -4.98 118.95 118.65 2k0f s ARG 70 Ca 0.20 1.18 -0.19 0.00 -0.13 0.00 0.00 55.73 56.79 2k0f s ARG 70 Cb 0.09 -3.57 -0.06 0.00 -1.56 0.00 0.00 34.95 29.85 2k0f s ARG 70 CO 0.15 -0.37 0.54 0.21 -0.81 0.00 0.00 175.30 175.02 2k0f s LYS 71 N 2.26 4.21 0.45 5.12 2.20 -1.26 -5.04 119.74 127.69 2k0f s LYS 71 Ca 0.42 0.64 0.07 0.00 -0.36 0.00 0.00 55.97 56.75 2k0f s LYS 71 Cb -0.17 -3.30 -0.01 0.00 -1.51 0.00 0.00 37.83 32.84 2k0f s LYS 71 CO 0.13 0.48 0.39 -1.64 -0.36 0.00 0.00 175.35 174.35 2k0f s MET 72 N -0.53 2.43 0.73 4.03 -1.94 -1.26 -5.14 119.30 117.63 2k0f s MET 72 Ca 0.28 -1.67 -0.11 0.00 -1.71 0.00 0.00 55.69 52.48 2k0f s MET 72 Cb -0.18 -2.30 0.03 0.00 2.01 0.00 0.00 34.83 34.40 2k0f s MET 72 CO 0.16 -0.31 1.11 -1.59 -0.01 0.00 0.00 175.02 174.38 2k0f s LYS 73 N -4.17 2.64 0.29 2.03 -2.85 -1.26 -4.80 119.74 111.62 2k0f s LYS 73 Ca 0.45 0.34 0.04 0.00 -1.00 0.00 0.00 55.97 55.80 2k0f s LYS 73 Cb -0.02 -2.02 0.65 0.00 -2.06 0.00 0.00 37.83 34.37 2k0f s LYS 73 CO 0.27 -1.16 1.81 -0.44 0.10 0.00 0.00 175.35 175.93 2k0f h ASP 74 N -0.73 0.86 -0.30 0.03 3.32 -2.00 -0.09 116.42 117.51 2k0f h ASP 74 Ca -0.45 0.07 -0.17 0.00 0.02 0.00 0.00 57.03 56.50 2k0f h ASP 74 Cb 1.27 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.73 2k0f h ASP 74 CO 0.64 0.39 -0.48 0.71 -1.72 0.00 0.00 179.24 178.79 2k0f h THR 75 N 0.89 1.28 -0.07 0.35 1.35 -1.99 -2.75 112.91 111.96 2k0f h THR 75 Ca 0.54 -1.66 -0.21 0.00 -0.55 0.00 0.00 66.41 64.53 2k0f h THR 75 Cb 0.69 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 2k0f h THR 75 CO -0.32 0.54 -0.81 0.44 -0.25 0.00 0.00 175.52 175.12 2k0f h ASP 76 N 0.69 0.64 0.24 5.36 3.32 -1.74 -2.72 116.42 122.22 2k0f h ASP 76 Ca 0.03 -0.45 -0.07 0.00 0.02 0.00 0.00 57.03 56.57 2k0f h ASP 76 Cb 1.07 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.42 2k0f h ASP 76 CO 0.11 1.22 -0.28 0.28 -1.72 0.00 0.00 179.24 178.85 2k0f h SER 77 N 0.34 0.08 0.60 6.45 0.02 -0.97 0.12 113.55 120.19 2k0f h SER 77 Ca -0.05 -0.02 -0.28 0.00 -0.84 0.00 0.00 61.79 60.60 2k0f h SER 77 Cb 1.42 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.90 2k0f h SER 77 CO 0.15 0.36 -1.51 -0.08 -1.14 0.00 0.00 176.83 174.61 2k0f h GLU 78 N 0.07 0.06 0.14 3.45 4.81 -1.48 -3.36 114.58 118.27 2k0f h GLU 78 Ca 0.01 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 2k0f h GLU 78 Cb 0.54 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.96 2k0f h GLU 78 CO 0.04 0.77 -0.06 1.49 -0.73 0.00 0.00 179.01 180.52 2k0f h GLU 79 N 0.02 -0.18 -0.59 1.92 4.81 -0.93 -2.63 114.58 117.00 2k0f h GLU 79 Ca -0.21 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.08 2k0f h GLU 79 Cb 1.95 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 31.30 2k0f h GLU 79 CO 0.11 0.28 -0.35 -1.91 -0.73 0.00 0.00 179.01 176.41 2k0f n GLU 80 N -4.92 -0.26 0.19 1.92 2.13 0.33 -0.23 120.64 119.80 2k0f n GLU 80 Ca -0.08 0.99 0.07 0.00 0.66 0.00 0.00 57.16 58.80 2k0f n GLU 80 Cb 0.27 -1.46 0.33 0.00 0.27 0.00 0.00 31.44 30.85 2k0f n GLU 80 CO 0.00 0.00 0.00 0.97 -0.41 0.00 0.00 177.13 177.69 2k0f h ILE 81 N 0.00 0.75 0.15 6.31 6.09 -1.70 -2.26 117.51 126.85 2k0f h ILE 81 Ca 0.09 -1.48 -0.33 0.00 -1.37 0.00 0.00 64.86 61.77 2k0f h ILE 81 Cb 0.24 1.95 0.00 0.00 0.47 0.00 0.00 36.82 39.48 2k0f h ILE 81 CO -0.56 0.33 -1.64 -0.09 -3.07 0.00 0.00 178.15 173.12 2k0f h ARG 82 N 0.00 0.32 -0.45 2.19 2.43 -0.66 -2.75 114.38 115.46 2k0f h ARG 82 Ca -0.00 -0.55 -0.12 0.00 -0.81 0.00 0.00 59.98 58.49 2k0f h ARG 82 Cb 0.92 0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 2k0f h ARG 82 CO 0.04 1.21 -0.19 0.93 -1.51 0.00 0.00 179.97 180.45 2k0f h GLU 83 N 0.09 0.89 -1.01 0.20 4.39 -0.66 -3.05 114.58 115.43 2k0f h GLU 83 Ca -0.29 -0.36 0.23 0.00 0.34 0.00 0.00 59.36 59.28 2k0f h GLU 83 Cb 2.06 -0.04 -0.11 0.00 -0.10 0.00 0.00 28.75 30.56 2k0f h GLU 83 CO 0.17 1.01 0.62 0.00 -1.16 0.00 0.00 179.01 179.65 2k0f h ALA 84 N 0.99 1.88 -0.60 3.43 0.00 -1.51 -2.57 119.26 120.89 2k0f h ALA 84 Ca 0.11 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2k0f h ALA 84 Cb 0.73 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2k0f h ALA 84 CO 0.06 -0.29 0.16 0.35 0.00 0.00 0.00 179.25 179.53 2k0f h PHE 85 N 0.59 0.99 -0.07 0.00 3.57 -1.39 -2.39 116.94 118.25 2k0f h PHE 85 Ca 0.60 -0.11 0.02 0.00 3.53 0.00 0.00 57.97 62.01 2k0f h PHE 85 Cb 1.17 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.62 2k0f h PHE 85 CO -0.00 0.83 0.18 0.00 -2.23 0.00 0.00 178.31 177.08 2k0f h ARG 86 N 0.86 0.00 0.17 1.11 3.08 -1.38 -1.80 114.38 116.43 2k0f h ARG 86 Ca 0.19 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.90 2k0f h ARG 86 Cb 0.32 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.38 2k0f h ARG 86 CO -0.00 0.00 -1.69 0.28 -1.07 0.00 0.00 179.97 177.49 2k0f h VAL 87 N 0.00 1.00 0.34 2.04 2.07 -1.15 -3.40 116.25 117.16 2k0f h VAL 87 Ca 0.03 -2.59 -0.02 0.00 0.82 0.00 0.00 66.70 64.94 2k0f h VAL 87 Cb 0.39 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 2k0f h VAL 87 CO -0.00 0.84 -0.17 -0.26 0.02 0.00 0.00 177.57 178.01 2k0f h PHE 88 N 0.10 -0.43 -2.87 1.57 0.04 -1.31 -3.41 116.94 110.63 2k0f h PHE 88 Ca -0.32 -0.01 -0.55 0.00 2.80 0.00 0.00 57.97 59.89 2k0f h PHE 88 Cb 2.08 0.14 -0.01 0.00 2.20 0.00 0.00 35.95 40.36 2k0f h PHE 88 CO 0.09 -0.11 0.88 0.34 -0.60 0.00 0.00 178.31 178.91 2k0f s ASP 89 N -5.00 6.85 -0.19 2.17 2.15 -0.71 -4.64 116.67 117.30 2k0f s ASP 89 Ca -0.14 2.04 -0.15 0.00 0.43 0.00 0.00 52.55 54.72 2k0f s ASP 89 Cb 0.02 -2.55 -0.10 0.00 -0.30 0.00 0.00 42.92 39.99 2k0f s ASP 89 CO 0.54 -0.75 -0.07 1.17 -0.17 0.00 0.00 175.17 175.89 2k0f n LYS 90 N 5.87 0.52 0.01 4.34 4.81 -1.26 -4.59 118.16 127.86 2k0f n LYS 90 Ca 0.14 0.48 -0.13 0.00 -0.87 0.00 0.00 58.31 57.93 2k0f n LYS 90 Cb 0.44 -1.66 -0.09 0.00 0.02 0.00 0.00 35.03 33.73 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 -0.03 0.00 3.14 3.04 -1.95 -3.48 116.42 116.14 2k0f h ASP 91 Ca -0.21 -0.39 0.00 0.00 -3.24 0.00 0.00 57.03 53.19 2k0f h ASP 91 Cb 0.99 0.01 0.00 0.00 -1.04 0.00 0.00 39.33 39.29 2k0f h ASP 91 CO -0.13 0.37 0.00 0.61 -2.04 0.00 0.00 179.24 178.05 2k0f n GLY 92 N 0.00 1.64 0.04 7.15 0.00 -1.26 -5.02 105.19 107.73 2k0f n GLY 92 Ca -0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.05 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 0.00 0.63 -0.04 1.61 0.23 -1.26 -4.98 115.26 111.44 2k0f n ASN 93 Ca 0.00 -0.13 0.00 0.00 -0.53 0.00 0.00 54.58 53.92 2k0f n ASN 93 Cb 0.00 0.46 0.00 0.00 -2.08 0.00 0.00 39.78 38.16 2k0f n ASN 93 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k0f n GLY 94 N 1.39 1.19 2.81 4.83 0.00 -1.26 -5.05 105.19 109.09 2k0f n GLY 94 Ca 0.03 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.08 -0.09 -0.45 1.61 2.02 -1.26 -4.56 117.35 112.54 2k0f s TYR 95 Ca 0.00 0.43 -0.22 0.00 -0.37 0.00 0.00 57.07 56.90 2k0f s TYR 95 Cb 0.00 -0.27 0.03 0.00 -0.40 0.00 0.00 41.96 41.31 2k0f s TYR 95 CO 0.00 -0.20 0.75 0.42 -1.57 0.00 0.00 175.55 174.95 2k0f s ILE 96 N 1.84 4.69 0.78 2.71 1.01 -0.16 -4.82 121.20 127.24 2k0f s ILE 96 Ca -0.01 0.33 -0.06 0.00 0.00 0.00 0.00 60.65 60.91 2k0f s ILE 96 Cb -0.12 -4.30 0.13 0.00 0.01 0.00 0.00 42.46 38.18 2k0f s ILE 96 CO -0.05 -0.70 1.08 -0.94 0.00 0.00 0.00 174.94 174.33 2k0f s SER 97 N 2.13 4.12 0.04 3.58 1.04 -1.26 -0.49 113.70 122.86 2k0f s SER 97 Ca 0.28 -0.02 -0.20 0.00 0.48 0.00 0.00 55.95 56.49 2k0f s SER 97 Cb -0.13 -0.34 -0.14 0.00 0.10 0.00 0.00 66.02 65.52 2k0f s SER 97 CO 0.22 -2.03 1.34 0.00 0.98 0.00 0.00 173.24 173.74 2k0f h ALA 98 N -0.83 0.23 -0.56 5.32 0.00 -1.96 0.41 119.26 121.87 2k0f h ALA 98 Ca -0.40 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.12 2k0f h ALA 98 Cb 1.27 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2k0f h ALA 98 CO 0.44 0.13 0.18 0.00 0.00 0.00 0.00 179.25 180.00 2k0f h ALA 99 N 0.61 0.73 -0.80 0.00 0.00 -1.98 -0.26 119.26 117.55 2k0f h ALA 99 Ca 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2k0f h ALA 99 Cb 0.71 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2k0f h ALA 99 CO 0.04 0.39 0.41 0.93 0.00 0.00 0.00 179.25 181.02 2k0f h GLU 100 N 0.78 1.14 -0.87 0.00 5.08 -1.81 0.33 114.58 119.23 2k0f h GLU 100 Ca 0.18 -0.15 0.06 0.00 -1.00 0.00 0.00 59.36 58.45 2k0f h GLU 100 Cb 0.27 -0.21 -0.06 0.00 0.50 0.00 0.00 28.75 29.25 2k0f h GLU 100 CO -0.01 0.86 0.54 1.25 -1.00 0.00 0.00 179.01 180.65 2k0f h LEU 101 N 1.13 0.87 -0.11 1.33 5.85 0.13 -2.79 115.31 121.72 2k0f h LEU 101 Ca 0.28 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.93 2k0f h LEU 101 Cb 0.08 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 40.94 2k0f h LEU 101 CO -0.04 0.56 -0.23 -0.09 -0.34 0.00 0.00 178.44 178.30 2k0f h ARG 102 N 1.01 0.36 -0.96 1.25 2.43 -0.50 -2.78 114.38 115.19 2k0f h ARG 102 Ca 0.37 -0.23 0.06 0.00 -0.81 0.00 0.00 59.98 59.36 2k0f h ARG 102 Cb 0.13 0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 29.65 2k0f h ARG 102 CO -0.16 0.83 0.62 1.25 -1.51 0.00 0.00 179.97 181.00 2k0f h HIS 103 N -0.07 1.15 0.13 2.20 2.76 -0.74 0.41 115.15 120.99 2k0f h HIS 103 Ca 0.00 0.03 -0.30 0.00 -2.20 0.00 0.00 60.37 57.91 2k0f h HIS 103 Cb 0.82 -0.38 -0.00 0.00 1.55 0.00 0.00 27.41 29.40 2k0f h HIS 103 CO 0.11 0.61 -1.44 -0.24 -1.30 0.00 0.00 177.93 175.67 2k0f h VAL 104 N 1.14 1.27 -0.14 5.26 3.04 -1.53 -2.24 116.25 123.06 2k0f h VAL 104 Ca 0.41 -2.88 -0.13 0.00 -1.01 0.00 0.00 66.70 63.09 2k0f h VAL 104 Cb 0.13 2.84 -0.01 0.00 -2.01 0.00 0.00 31.29 32.24 2k0f h VAL 104 CO -0.16 0.84 -0.49 0.24 -1.01 0.00 0.00 177.57 176.99 2k0f h MET 105 N 0.07 0.37 -0.20 4.17 2.07 -1.18 0.57 114.93 120.82 2k0f h MET 105 Ca -0.21 -0.21 0.03 0.00 -2.07 0.00 0.00 59.70 57.24 2k0f h MET 105 Cb 2.01 0.01 -0.06 0.00 -1.87 0.00 0.00 31.60 31.70 2k0f h MET 105 CO 0.18 0.78 -0.45 1.15 1.07 0.00 0.00 176.91 179.65 2k0f h THR 106 N 0.30 0.00 -0.86 2.22 2.02 -0.25 -0.52 112.91 115.82 2k0f h THR 106 Ca 0.01 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.24 2k0f h THR 106 Cb 0.97 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.33 2k0f h THR 106 CO 0.08 0.00 0.57 0.78 0.37 0.00 0.00 175.52 177.32 2k0f h ASN 107 N -0.42 0.90 0.96 4.18 2.35 -1.26 -2.12 115.58 120.17 2k0f h ASN 107 Ca 0.04 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2k0f h ASN 107 Cb 0.53 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.70 2k0f h ASN 107 CO -0.41 0.60 -0.03 0.18 -1.65 0.00 0.00 177.43 176.12 2k0f n LEU 108 N -4.46 0.03 0.00 1.61 4.77 0.18 -4.69 117.00 114.44 2k0f n LEU 108 Ca 0.12 0.46 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 2k0f n LEU 108 Cb 0.15 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 2k0f n LEU 108 CO 0.34 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2k0f n GLY 109 N 1.50 1.11 3.75 -0.72 0.00 -0.72 -4.70 105.19 105.40 2k0f n GLY 109 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 2.69 -0.59 1.61 0.41 -0.28 -4.92 118.70 117.62 2k0f s GLU 110 Ca 0.00 1.65 -0.03 0.00 -0.41 0.00 0.00 54.97 56.18 2k0f s GLU 110 Cb 0.00 -1.91 0.15 0.00 -1.78 0.00 0.00 34.13 30.59 2k0f s GLU 110 CO 0.00 -1.38 0.40 0.15 -0.49 0.00 0.00 175.26 173.94 2k0f s LYS 111 N -3.75 2.48 0.39 1.61 3.01 -1.26 -4.23 119.74 117.98 2k0f s LYS 111 Ca 0.73 -2.39 -0.10 0.00 -1.01 0.00 0.00 55.97 53.20 2k0f s LYS 111 Cb -0.26 -3.72 -0.06 0.00 -1.01 0.00 0.00 37.83 32.78 2k0f s LYS 111 CO 0.39 -1.16 0.74 -0.51 0.51 0.00 0.00 175.35 175.32 2k0f s LEU 112 N 0.18 3.87 0.36 3.17 1.43 -1.26 -5.12 118.68 121.31 2k0f s LEU 112 Ca 0.15 1.09 0.09 0.00 -1.03 0.00 0.00 54.13 54.43 2k0f s LEU 112 Cb -0.21 -3.96 -0.06 0.00 0.03 0.00 0.00 46.19 41.99 2k0f s LEU 112 CO -0.04 -0.37 -0.01 0.42 0.23 0.00 0.00 176.35 176.59 2k0f s THR 113 N -2.32 2.39 0.25 5.49 -4.23 -1.26 -5.04 115.64 110.92 2k0f s THR 113 Ca 0.50 -2.03 0.03 0.00 -1.18 0.00 0.00 61.69 59.02 2k0f s THR 113 Cb -0.10 -2.79 -0.00 0.00 1.34 0.00 0.00 72.50 70.94 2k0f s THR 113 CO 0.31 -0.16 1.62 0.44 -0.54 0.00 0.00 174.62 176.29 2k0f h ASP 114 N 1.84 0.36 -0.93 3.99 3.32 -2.00 -2.03 116.42 120.97 2k0f h ASP 114 Ca -0.43 -0.17 0.24 0.00 0.02 0.00 0.00 57.03 56.69 2k0f h ASP 114 Cb 1.25 -0.10 -0.17 0.00 0.22 0.00 0.00 39.33 40.52 2k0f h ASP 114 CO 0.70 0.79 -0.04 1.21 -1.72 0.00 0.00 179.24 180.18 2k0f n GLU 115 N -3.97 -0.08 0.04 3.56 2.13 -1.26 -2.18 120.64 118.88 2k0f n GLU 115 Ca -0.02 1.40 -0.20 0.00 0.66 0.00 0.00 57.16 59.01 2k0f n GLU 115 Cb 0.54 -2.20 -0.14 0.00 0.27 0.00 0.00 31.44 29.92 2k0f n GLU 115 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2k0f h GLU 116 N 0.00 0.36 -0.59 5.31 5.08 -1.78 -2.13 114.58 120.84 2k0f h GLU 116 Ca 0.53 -0.53 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 2k0f h GLU 116 Cb 1.04 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 2k0f h GLU 116 CO -0.89 1.22 0.11 0.28 -1.00 0.00 0.00 179.01 178.73 2k0f h VAL 117 N -0.23 1.25 -0.26 3.13 2.07 -1.43 0.20 116.25 120.98 2k0f h VAL 117 Ca -0.13 -0.96 0.06 0.00 0.82 0.00 0.00 66.70 66.49 2k0f h VAL 117 Cb 1.58 0.74 -0.08 0.00 -1.52 0.00 0.00 31.29 32.01 2k0f h VAL 117 CO 0.15 0.35 -0.33 -0.78 0.02 0.00 0.00 177.57 176.98 2k0f h ASP 118 N 0.87 -1.07 -0.30 0.57 3.58 -1.52 -0.48 116.42 118.06 2k0f h ASP 118 Ca 0.18 0.17 -0.02 0.00 0.42 0.00 0.00 57.03 57.78 2k0f h ASP 118 Cb 0.40 0.48 -0.02 0.00 1.72 0.00 0.00 39.33 41.91 2k0f h ASP 118 CO 0.01 -0.35 0.14 -0.08 -2.88 0.00 0.00 179.24 176.08 2k0f h GLU 119 N -0.33 0.49 -0.27 0.28 4.81 -0.65 -1.61 114.58 117.30 2k0f h GLU 119 Ca 0.13 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 2k0f h GLU 119 Cb 0.55 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2k0f h GLU 119 CO -0.45 0.40 0.07 0.52 -0.73 0.00 0.00 179.01 178.83 2k0f h MET 120 N 0.49 0.43 0.00 1.92 2.86 -0.33 -1.81 114.93 118.48 2k0f h MET 120 Ca 0.12 -0.10 -0.07 0.00 -2.06 0.00 0.00 59.70 57.59 2k0f h MET 120 Cb 0.10 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.69 2k0f h MET 120 CO -0.01 0.51 -0.33 0.82 1.06 0.00 0.00 176.91 178.96 2k0f h ILE 121 N 0.27 1.12 -0.05 -1.22 1.08 -0.90 -2.29 117.51 115.51 2k0f h ILE 121 Ca 0.09 -1.18 -0.00 0.00 -0.39 0.00 0.00 64.86 63.38 2k0f h ILE 121 Cb 0.27 1.65 -0.00 0.00 -3.07 0.00 0.00 36.82 35.67 2k0f h ILE 121 CO -0.00 0.32 0.01 -0.09 -0.69 0.00 0.00 178.15 177.71 2k0f h ARG 122 N 0.00 0.08 -0.88 2.37 2.43 -1.09 -0.40 114.38 116.89 2k0f h ARG 122 Ca -0.00 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2k0f h ARG 122 Cb 0.63 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.12 2k0f h ARG 122 CO 0.04 0.27 0.58 1.49 -1.51 0.00 0.00 179.97 180.84 2k0f h GLU 123 N -0.13 1.10 0.22 0.20 4.81 -1.33 -3.21 114.58 116.24 2k0f h GLU 123 Ca 0.02 -0.07 -0.35 0.00 -0.13 0.00 0.00 59.36 58.83 2k0f h GLU 123 Cb 0.23 -0.25 0.02 0.00 0.63 0.00 0.00 28.75 29.38 2k0f h GLU 123 CO -0.00 0.73 -1.63 0.00 -0.73 0.00 0.00 179.01 177.38 2k0f h ALA 124 N 1.47 0.01 -2.48 2.92 0.00 -1.06 -3.45 119.26 116.67 2k0f h ALA 124 Ca 0.34 -1.02 -0.53 0.00 0.00 0.00 0.00 54.91 53.70 2k0f h ALA 124 Cb -0.05 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2k0f h ALA 124 CO -0.09 0.87 0.45 0.34 0.00 0.00 0.00 179.25 180.82 2k0f s ASP 125 N -7.43 7.27 -0.23 0.00 2.15 -0.19 -4.82 116.67 113.42 2k0f s ASP 125 Ca -0.13 1.85 -0.08 0.00 0.43 0.00 0.00 52.55 54.62 2k0f s ASP 125 Cb 0.05 -2.58 -0.17 0.00 -0.30 0.00 0.00 42.92 39.91 2k0f s ASP 125 CO 0.89 -0.31 -0.09 -0.38 -0.17 0.00 0.00 175.17 175.11 2k0f n ILE 126 N 3.61 1.56 0.00 4.11 5.41 -1.26 -4.90 119.36 127.90 2k0f n ILE 126 Ca 0.06 -0.44 0.00 0.00 1.00 0.00 0.00 62.75 63.37 2k0f n ILE 126 Cb 0.49 -1.72 0.00 0.00 -0.71 0.00 0.00 39.64 37.70 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 -3.79 0.00 -0.13 4.38 5.68 -1.26 -5.04 116.55 116.39 2k0f n ASP 127 Ca -0.44 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.85 2k0f n ASP 127 Cb 0.92 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.90 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 3.41 0.40 0.08 6.12 0.00 -1.26 -4.99 105.19 108.95 2k0f n GLY 128 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.04 0.00 1.61 3.04 -1.99 -3.48 116.42 115.63 2k0f h ASP 129 Ca 0.00 -0.06 0.00 0.00 -3.24 0.00 0.00 57.03 53.73 2k0f h ASP 129 Cb 0.40 -0.01 0.00 0.00 -1.04 0.00 0.00 39.33 38.68 2k0f h ASP 129 CO 0.00 1.05 0.00 0.61 -2.04 0.00 0.00 179.24 178.86 2k0f n GLY 130 N 1.49 0.48 3.44 7.15 0.00 -1.26 -5.07 105.19 111.43 2k0f n GLY 130 Ca -0.10 -0.93 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.88 1.97 -0.41 1.61 -0.21 -1.26 -4.63 119.66 114.85 2k0f s GLN 131 Ca 0.00 -1.04 -0.21 0.00 0.02 0.00 0.00 55.36 54.13 2k0f s GLN 131 Cb 0.00 -2.14 0.02 0.00 1.00 0.00 0.00 33.01 31.89 2k0f s GLN 131 CO 0.00 0.52 0.67 0.08 -2.12 0.00 0.00 175.29 174.45 2k0f s VAL 132 N -0.94 4.81 1.08 1.09 1.01 0.36 -4.85 120.40 122.95 2k0f s VAL 132 Ca 0.15 0.38 -0.17 0.00 0.00 0.00 0.00 61.98 62.34 2k0f s VAL 132 Cb -0.10 -4.18 0.23 0.00 0.00 0.00 0.00 36.38 32.33 2k0f s VAL 132 CO 0.06 -0.51 1.18 0.54 0.00 0.00 0.00 175.10 176.37 2k0f s ASN 133 N 1.94 2.05 0.21 3.32 2.20 -1.26 -0.99 114.94 122.41 2k0f s ASN 133 Ca 0.25 0.59 0.04 0.00 -0.94 0.00 0.00 52.86 52.80 2k0f s ASN 133 Cb -0.14 -0.83 0.15 0.00 -2.00 0.00 0.00 41.25 38.43 2k0f s ASN 133 CO 0.18 -3.42 1.49 0.22 -2.94 0.00 0.00 177.10 172.63 2k0f h TYR 134 N -2.10 0.28 -0.30 1.54 3.20 -1.98 -2.50 116.97 115.12 2k0f h TYR 134 Ca -0.46 -0.13 -0.09 0.00 3.14 0.00 0.00 58.73 61.20 2k0f h TYR 134 Cb 1.28 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.50 2k0f h TYR 134 CO -1.37 0.85 -0.16 0.93 -1.64 0.00 0.00 178.16 176.77 2k0f h GLU 135 N 0.14 0.63 -0.76 1.82 5.08 -1.98 -0.87 114.58 118.63 2k0f h GLU 135 Ca -0.02 -0.28 0.07 0.00 -1.00 0.00 0.00 59.36 58.13 2k0f h GLU 135 Cb 1.26 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.44 2k0f h GLU 135 CO 0.11 0.87 0.44 0.93 -1.00 0.00 0.00 179.01 180.35 2k0f h GLU 136 N 0.38 0.75 -0.27 2.33 5.08 -1.91 -1.40 114.58 119.56 2k0f h GLU 136 Ca 0.06 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2k0f h GLU 136 Cb 0.68 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2k0f h GLU 136 CO 0.05 0.50 0.15 0.35 -1.00 0.00 0.00 179.01 179.05 2k0f h PHE 137 N 0.78 0.37 -0.20 4.33 3.57 -1.41 -0.52 116.94 123.86 2k0f h PHE 137 Ca 0.35 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.74 2k0f h PHE 137 Cb 0.25 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 2k0f h PHE 137 CO -0.06 0.30 -0.33 0.28 -2.23 0.00 0.00 178.31 176.27 2k0f h VAL 138 N 0.32 1.28 -0.32 1.41 2.07 -0.95 0.66 116.25 120.72 2k0f h VAL 138 Ca 0.09 -1.39 -0.15 0.00 0.82 0.00 0.00 66.70 66.07 2k0f h VAL 138 Cb 0.06 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2k0f h VAL 138 CO -0.02 0.43 -0.41 1.56 0.02 0.00 0.00 177.57 179.15 2k0f h GLN 139 N 0.35 0.79 0.70 1.57 4.20 -1.01 -2.11 115.11 119.60 2k0f h GLN 139 Ca 0.04 -0.42 -0.03 0.00 0.06 0.00 0.00 58.65 58.30 2k0f h GLN 139 Cb 0.75 0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.56 2k0f h GLN 139 CO 0.06 1.05 -0.33 1.98 -0.67 0.00 0.00 178.83 180.92 2k0f h MET 140 N 0.64 -0.90 -0.06 1.46 4.05 -1.11 -3.41 114.93 115.61 2k0f h MET 140 Ca 0.05 0.06 -0.10 0.00 -0.28 0.00 0.00 59.70 59.43 2k0f h MET 140 Cb 0.98 0.20 0.01 0.00 -0.80 0.00 0.00 31.60 31.99 2k0f h MET 140 CO 0.09 -0.57 -0.35 0.52 0.23 0.00 0.00 176.91 176.84 2k0f h MET 141 N -1.14 0.34 -0.01 0.39 2.86 -0.86 -3.51 114.93 113.00 2k0f h MET 141 Ca -0.10 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 2k0f h MET 141 Cb 0.75 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.47 2k0f h MET 141 CO 0.16 0.94 0.00 2.41 1.06 0.00 0.00 176.91 181.47