#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 0.10 -0.09 1.09 3.07 -2.07 -3.36 114.58 113.31 2k0f h GLU 2 Ca 0.00 -0.17 -0.14 0.00 -0.50 0.00 0.00 59.36 58.55 2k0f h GLU 2 Cb 0.00 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 2k0f h GLU 2 CO 0.00 1.08 -0.55 1.49 -1.40 0.00 0.00 179.01 179.64 2k0f h GLU 3 N -0.72 0.28 -0.67 2.33 4.81 -2.06 -1.60 114.58 116.96 2k0f h GLU 3 Ca -0.24 -0.17 0.19 0.00 -0.13 0.00 0.00 59.36 59.02 2k0f h GLU 3 Cb 1.41 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.78 2k0f h GLU 3 CO -0.04 0.75 0.48 0.37 -0.73 0.00 0.00 179.01 179.83 2k0f h GLN 4 N 0.21 0.01 0.00 1.92 4.15 -2.00 -1.06 115.11 118.35 2k0f h GLN 4 Ca 0.00 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 2k0f h GLN 4 Cb 1.03 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.72 2k0f h GLN 4 CO 0.09 0.01 -0.00 0.82 -1.93 0.00 0.00 178.83 177.81 2k0f h ILE 5 N 0.01 1.02 -0.97 2.39 1.08 -1.45 -2.16 117.51 117.43 2k0f h ILE 5 Ca 0.32 -0.08 0.09 0.00 -0.39 0.00 0.00 64.86 64.80 2k0f h ILE 5 Cb 1.26 1.08 -0.07 0.00 -3.07 0.00 0.00 36.82 36.01 2k0f h ILE 5 CO -0.01 0.02 0.61 0.00 -0.69 0.00 0.00 178.15 178.08 2k0f h ALA 6 N 0.96 1.39 -0.84 1.87 0.00 -1.40 0.45 119.26 121.69 2k0f h ALA 6 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2k0f h ALA 6 Cb 0.04 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 2k0f h ALA 6 CO 0.00 0.31 0.40 0.93 0.00 0.00 0.00 179.25 180.89 2k0f h GLU 7 N 1.04 1.21 -0.08 0.00 5.08 -1.00 -2.21 114.58 118.63 2k0f h GLU 7 Ca 0.45 -0.18 -0.14 0.00 -1.00 0.00 0.00 59.36 58.49 2k0f h GLU 7 Cb 0.31 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2k0f h GLU 7 CO -0.22 0.93 -0.57 0.74 -1.00 0.00 0.00 179.01 178.90 2k0f h PHE 8 N 1.20 0.32 -0.00 4.33 0.04 -0.69 -3.11 116.94 119.02 2k0f h PHE 8 Ca 0.29 -0.12 -0.16 0.00 2.80 0.00 0.00 57.97 60.78 2k0f h PHE 8 Cb 0.12 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.19 2k0f h PHE 8 CO 0.01 0.76 -0.76 -0.22 -0.60 0.00 0.00 178.31 177.50 2k0f h LYS 9 N 0.19 0.02 0.00 1.51 1.63 -0.76 -0.12 116.57 119.05 2k0f h LYS 9 Ca -0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 2k0f h LYS 9 Cb 1.05 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.69 2k0f h LYS 9 CO 0.09 0.77 -0.04 1.49 -3.45 0.00 0.00 179.45 178.30 2k0f h GLU 10 N 0.01 0.00 0.00 1.90 4.81 -1.47 -0.31 114.58 119.52 2k0f h GLU 10 Ca -0.01 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.03 2k0f h GLU 10 Cb 1.35 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.70 2k0f h GLU 10 CO 0.10 0.00 -1.11 0.00 -0.73 0.00 0.00 179.01 177.27 2k0f h ALA 11 N 2.39 0.60 -0.31 2.92 0.00 -1.40 -2.23 119.26 121.24 2k0f h ALA 11 Ca 0.00 -0.88 -0.10 0.00 0.00 0.00 0.00 54.91 53.93 2k0f h ALA 11 Cb 0.81 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2k0f h ALA 11 CO 0.00 1.06 -0.19 0.35 0.00 0.00 0.00 179.25 180.47 2k0f h PHE 12 N 0.00 0.79 0.00 0.00 3.04 -0.57 -2.94 116.94 117.26 2k0f h PHE 12 Ca -0.10 -0.21 0.00 0.00 3.98 0.00 0.00 57.97 61.64 2k0f h PHE 12 Cb 1.67 -0.18 0.00 0.00 2.56 0.00 0.00 35.95 40.00 2k0f h PHE 12 CO 0.00 0.92 0.00 0.43 -2.02 0.00 0.00 178.31 177.64 2k0f n SER 13 N -4.34 0.71 0.06 0.41 7.64 -0.17 -0.30 113.62 117.64 2k0f n SER 13 Ca -0.03 0.68 -0.07 0.00 1.01 0.00 0.00 58.87 60.46 2k0f n SER 13 Cb 0.41 -0.83 0.09 0.00 -1.01 0.00 0.00 64.21 62.87 2k0f n SER 13 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2k0f h LEU 14 N 0.00 0.38 0.05 -3.43 5.85 -1.21 -3.20 115.31 113.76 2k0f h LEU 14 Ca 0.00 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 2k0f h LEU 14 Cb 0.36 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.28 2k0f h LEU 14 CO 0.00 0.91 -0.02 -0.26 -0.34 0.00 0.00 178.44 178.72 2k0f h PHE 15 N 0.25 -0.06 -3.02 1.25 0.04 -1.49 -3.45 116.94 110.47 2k0f h PHE 15 Ca -0.01 -0.00 -0.57 0.00 2.80 0.00 0.00 57.97 60.19 2k0f h PHE 15 Cb 1.14 0.02 -0.05 0.00 2.20 0.00 0.00 35.95 39.26 2k0f h PHE 15 CO 0.03 0.53 0.90 0.34 -0.60 0.00 0.00 178.31 179.51 2k0f s ASP 16 N -5.83 6.91 0.03 2.17 -1.08 0.59 -4.84 116.67 114.63 2k0f s ASP 16 Ca -0.13 1.49 0.18 0.00 -0.52 0.00 0.00 52.55 53.57 2k0f s ASP 16 Cb -0.01 -2.54 -0.16 0.00 -1.46 0.00 0.00 42.92 38.75 2k0f s ASP 16 CO 0.48 -0.82 0.71 1.17 0.52 0.00 0.00 175.17 177.23 2k0f n LYS 17 N 6.73 0.63 0.07 4.34 3.00 -1.26 -4.29 118.16 127.39 2k0f n LYS 17 Ca 0.14 0.16 -0.04 0.00 -0.00 0.00 0.00 58.31 58.57 2k0f n LYS 17 Cb 0.46 -1.75 -0.02 0.00 0.00 0.00 0.00 35.03 33.72 2k0f n LYS 17 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2k0f h ASP 18 N 0.00 -0.21 0.00 3.14 3.32 -1.95 -3.49 116.42 117.23 2k0f h ASP 18 Ca -0.19 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.87 2k0f h ASP 18 Cb 1.59 0.05 0.00 0.00 0.22 0.00 0.00 39.33 41.20 2k0f h ASP 18 CO 0.04 0.11 0.00 0.61 -1.72 0.00 0.00 179.24 178.28 2k0f n GLY 19 N 0.98 1.42 0.08 2.75 0.00 -1.26 -5.04 105.19 104.13 2k0f n GLY 19 Ca -0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.14 0.00 1.61 2.03 -1.94 -3.49 116.42 114.49 2k0f h ASP 20 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2k0f h ASP 20 Cb 0.00 0.04 0.00 0.00 -0.83 0.00 0.00 39.33 38.54 2k0f h ASP 20 CO 0.00 0.08 0.00 0.61 -1.03 0.00 0.00 179.24 178.90 2k0f n GLY 21 N 1.07 0.60 2.69 7.15 0.00 -1.26 -5.14 105.19 110.30 2k0f n GLY 21 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.94 0.45 -0.43 2.61 -4.23 -1.26 -4.47 115.64 107.37 2k0f s THR 22 Ca 0.00 -0.77 -0.29 0.00 -1.18 0.00 0.00 61.69 59.45 2k0f s THR 22 Cb 0.00 -1.14 0.02 0.00 1.34 0.00 0.00 72.50 72.72 2k0f s THR 22 CO 0.00 -0.43 1.24 -0.63 -0.54 0.00 0.00 174.62 174.26 2k0f s ILE 23 N 1.87 4.12 0.86 2.99 1.01 -1.12 -4.91 121.20 126.01 2k0f s ILE 23 Ca 0.04 1.16 -0.11 0.00 0.00 0.00 0.00 60.65 61.73 2k0f s ILE 23 Cb -0.17 -4.42 0.14 0.00 0.01 0.00 0.00 42.46 38.03 2k0f s ILE 23 CO -0.18 -0.85 1.20 0.42 0.00 0.00 0.00 174.94 175.54 2k0f s THR 24 N 4.73 2.06 0.25 2.92 -4.23 -1.26 -2.22 115.64 117.89 2k0f s THR 24 Ca 0.53 -0.13 -0.12 0.00 -1.18 0.00 0.00 61.69 60.80 2k0f s THR 24 Cb -0.10 -2.93 0.35 0.00 1.34 0.00 0.00 72.50 71.15 2k0f s THR 24 CO 0.30 0.00 1.58 0.71 -0.54 0.00 0.00 174.62 176.67 2k0f h THR 25 N -1.20 0.12 -0.48 3.99 1.35 -1.89 -2.53 112.91 112.27 2k0f h THR 25 Ca -0.44 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 65.51 2k0f h THR 25 Cb 1.27 0.12 -0.08 0.00 -1.73 0.00 0.00 68.15 67.73 2k0f h THR 25 CO 0.48 0.00 0.03 0.11 -0.25 0.00 0.00 175.52 175.89 2k0f h LYS 26 N -0.01 0.14 -0.04 4.72 1.79 -1.96 0.30 116.57 121.51 2k0f h LYS 26 Ca 0.40 -0.01 -0.17 0.00 -2.18 0.00 0.00 60.65 58.69 2k0f h LYS 26 Cb 0.63 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.23 2k0f h LYS 26 CO -0.89 0.10 -0.73 0.93 -1.08 0.00 0.00 179.45 177.78 2k0f h GLU 27 N 0.15 0.22 -0.00 3.15 5.08 -1.78 0.26 114.58 121.66 2k0f h GLU 27 Ca 0.24 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2k0f h GLU 27 Cb 0.35 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2k0f h GLU 27 CO -0.38 0.86 -0.00 1.25 -1.00 0.00 0.00 179.01 179.73 2k0f h LEU 28 N 0.15 0.01 -1.07 1.33 5.85 -1.40 -3.03 115.31 117.14 2k0f h LEU 28 Ca -0.02 -0.62 0.00 0.00 0.84 0.00 0.00 57.88 58.08 2k0f h LEU 28 Cb 1.29 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.27 2k0f h LEU 28 CO 0.11 0.63 0.59 1.23 -0.34 0.00 0.00 178.44 180.66 2k0f h GLY 29 N -0.62 1.29 0.59 3.75 0.00 -0.13 0.03 103.07 107.99 2k0f h GLY 29 Ca -0.00 -0.50 0.10 0.00 0.00 0.00 0.00 47.33 46.94 2k0f h GLY 29 CO 0.00 0.49 0.62 -0.84 0.00 0.00 0.00 176.54 176.81 2k0f h THR 30 N 1.24 0.96 -0.09 4.70 2.02 -0.57 0.27 112.91 121.45 2k0f h THR 30 Ca 0.33 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 2k0f h THR 30 Cb -0.12 -0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.18 2k0f h THR 30 CO -0.07 0.18 -0.10 0.58 0.37 0.00 0.00 175.52 176.49 2k0f h VAL 31 N 0.99 1.37 -0.74 3.16 2.07 -1.21 -2.08 116.25 119.82 2k0f h VAL 31 Ca 0.46 -1.27 0.17 0.00 0.82 0.00 0.00 66.70 66.88 2k0f h VAL 31 Cb 0.41 2.01 -0.13 0.00 -1.52 0.00 0.00 31.29 32.07 2k0f h VAL 31 CO -0.22 0.36 0.02 0.24 0.02 0.00 0.00 177.57 177.99 2k0f h MET 32 N -0.20 0.12 -0.02 1.57 2.86 -0.72 -0.85 114.93 117.69 2k0f h MET 32 Ca 0.01 -0.01 -0.19 0.00 -2.06 0.00 0.00 59.70 57.45 2k0f h MET 32 Cb 0.62 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.24 2k0f h MET 32 CO 0.02 0.08 -0.84 0.00 1.06 0.00 0.00 176.91 177.23 2k0f h ARG 33 N 0.12 0.26 -0.63 1.72 3.08 -0.85 -1.76 114.38 116.32 2k0f h ARG 33 Ca 0.40 -0.26 -0.06 0.00 0.07 0.00 0.00 59.98 60.14 2k0f h ARG 33 Cb 0.71 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.80 2k0f h ARG 33 CO -0.63 0.96 0.17 1.03 -1.07 0.00 0.00 179.97 180.42 2k0f h SER 34 N 0.16 0.92 0.64 7.04 0.87 -0.59 -2.83 113.55 119.76 2k0f h SER 34 Ca -0.04 -0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.31 2k0f h SER 34 Cb 1.44 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 63.17 2k0f h SER 34 CO 0.13 0.88 -0.31 -0.07 -0.53 0.00 0.00 176.83 176.94 2k0f h LEU 35 N 0.94 -0.73 0.00 2.23 3.38 -1.16 -3.46 115.31 116.51 2k0f h LEU 35 Ca 0.20 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2k0f h LEU 35 Cb 0.31 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2k0f h LEU 35 CO -0.00 -0.39 0.00 0.61 0.09 0.00 0.00 178.44 178.74 2k0f n GLY 36 N -0.86 -0.08 3.22 0.83 0.00 -0.71 -5.11 105.19 102.49 2k0f n GLY 36 Ca -0.12 -0.20 -0.19 0.00 0.00 0.00 0.00 46.02 45.51 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 0.95 -0.50 1.61 0.74 -0.91 -5.00 119.66 116.55 2k0f s GLN 37 Ca 0.00 -1.11 0.04 0.00 0.05 0.00 0.00 55.36 54.34 2k0f s GLN 37 Cb 0.00 -0.95 0.17 0.00 1.10 0.00 0.00 33.01 33.33 2k0f s GLN 37 CO 0.00 0.20 0.37 1.21 -0.55 0.00 0.00 175.29 176.52 2k0f s ASN 38 N -2.07 2.66 0.92 6.67 2.47 -1.26 -3.70 114.94 120.63 2k0f s ASN 38 Ca 0.04 -3.23 -0.07 0.00 0.42 0.00 0.00 52.86 50.02 2k0f s ASN 38 Cb -0.08 -0.83 0.11 0.00 -1.45 0.00 0.00 41.25 39.00 2k0f s ASN 38 CO 0.03 -0.16 0.65 -0.81 -3.72 0.00 0.00 177.10 173.09 2k0f n PRO 39 N 2.69 -0.50 -4.26 0.43 -0.04 -1.26 -5.10 135.00 126.96 2k0f n PRO 39 Ca 0.24 -1.11 -0.24 0.00 -0.04 0.00 0.00 63.50 62.36 2k0f n PRO 39 Cb 0.43 -0.64 -0.07 0.00 -0.04 0.00 0.00 33.50 33.18 2k0f n PRO 39 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2k0f s THR 40 N -2.30 3.55 0.37 0.52 -1.32 -1.26 -5.03 115.64 110.17 2k0f s THR 40 Ca 0.38 -1.74 0.12 0.00 -1.21 0.00 0.00 61.69 59.24 2k0f s THR 40 Cb -0.01 -2.86 0.10 0.00 -1.51 0.00 0.00 72.50 68.22 2k0f s THR 40 CO 0.26 -0.28 1.84 -0.08 -2.21 0.00 0.00 174.62 174.15 2k0f h GLU 41 N 2.16 0.04 -0.89 7.08 4.81 -1.99 -0.92 114.58 124.88 2k0f h GLU 41 Ca -0.45 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 58.84 2k0f h GLU 41 Cb 1.23 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.55 2k0f h GLU 41 CO 0.59 0.37 0.58 0.00 -0.73 0.00 0.00 179.01 179.82 2k0f h ALA 42 N 1.63 1.59 -0.03 2.92 0.00 -1.98 0.44 119.26 123.82 2k0f h ALA 42 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2k0f h ALA 42 Cb 0.61 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2k0f h ALA 42 CO 0.04 0.25 -0.43 0.93 0.00 0.00 0.00 179.25 180.05 2k0f h GLU 43 N 0.94 0.06 0.00 0.00 5.08 -1.58 -2.46 114.58 116.63 2k0f h GLU 43 Ca 0.40 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.53 2k0f h GLU 43 Cb 0.32 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 2k0f h GLU 43 CO -0.16 0.48 -1.01 -0.07 -1.00 0.00 0.00 179.01 177.25 2k0f h LEU 44 N 0.05 0.00 -0.46 1.33 3.38 -1.23 -3.01 115.31 115.37 2k0f h LEU 44 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2k0f h LEU 44 Cb 0.78 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 2k0f h LEU 44 CO 0.06 0.89 -0.26 -0.61 0.09 0.00 0.00 178.44 178.61 2k0f h GLN 45 N 0.00 0.99 -0.52 1.13 4.15 -0.82 -2.53 115.11 117.51 2k0f h GLN 45 Ca -0.05 -0.45 -0.05 0.00 0.77 0.00 0.00 58.65 58.88 2k0f h GLN 45 Cb 1.72 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 29.37 2k0f h GLN 45 CO 0.11 1.13 0.13 0.22 -1.93 0.00 0.00 178.83 178.49 2k0f h ASP 46 N 0.84 0.73 -0.49 -0.69 3.58 -1.49 0.14 116.42 119.03 2k0f h ASP 46 Ca 0.10 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2k0f h ASP 46 Cb 0.85 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.69 2k0f h ASP 46 CO 0.08 0.71 0.32 0.24 -2.88 0.00 0.00 179.24 177.71 2k0f h MET 47 N 0.76 0.66 -0.27 0.28 2.86 -1.40 -2.93 114.93 114.88 2k0f h MET 47 Ca 0.17 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.63 2k0f h MET 47 Cb 0.27 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.77 2k0f h MET 47 CO -0.00 0.45 -0.37 0.82 1.06 0.00 0.00 176.91 178.86 2k0f h ILE 48 N 0.67 1.29 0.00 -1.22 2.04 -1.21 -3.00 117.51 116.08 2k0f h ILE 48 Ca 0.18 -1.53 0.00 0.00 1.00 0.00 0.00 64.86 64.51 2k0f h ILE 48 Cb -0.06 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 2k0f h ILE 48 CO -0.04 0.49 0.00 -3.20 0.00 0.00 0.00 178.15 175.40 2k0f n ASN 49 N -4.05 0.34 -0.01 1.72 5.15 0.02 -1.63 115.26 116.79 2k0f n ASN 49 Ca -0.01 0.56 -0.17 0.00 -0.60 0.00 0.00 54.58 54.36 2k0f n ASN 49 Cb 0.51 -0.64 -0.14 0.00 -0.53 0.00 0.00 39.78 38.98 2k0f n ASN 49 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 2k0f h GLU 50 N 0.00 0.15 -0.65 1.20 4.81 -1.37 -3.36 114.58 115.37 2k0f h GLU 50 Ca 0.00 -0.26 -0.05 0.00 -0.13 0.00 0.00 59.36 58.93 2k0f h GLU 50 Cb 0.42 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 2k0f h GLU 50 CO 0.00 1.12 0.21 -0.39 -0.73 0.00 0.00 179.01 179.23 2k0f h VAL 51 N -0.68 1.24 -1.38 0.32 -1.51 -1.48 -3.44 116.25 109.31 2k0f h VAL 51 Ca -0.08 -0.80 -0.77 0.00 -1.23 0.00 0.00 66.70 63.82 2k0f h VAL 51 Cb 1.33 0.51 0.02 0.00 -2.13 0.00 0.00 31.29 31.02 2k0f h VAL 51 CO 0.07 0.31 0.76 -0.67 -1.23 0.00 0.00 177.57 176.82 2k0f n ASP 52 N -4.28 1.88 -0.08 4.19 2.03 -0.65 -4.91 116.55 114.73 2k0f n ASP 52 Ca 0.05 1.11 -0.08 0.00 0.52 0.00 0.00 54.79 56.39 2k0f n ASP 52 Cb 0.20 -1.06 -0.03 0.00 -0.72 0.00 0.00 41.12 39.51 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 4.56 1.01 -0.60 -1.67 0.00 -1.26 -4.87 120.51 117.68 2k0f n ALA 53 Ca 0.27 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2k0f n ALA 53 Cb 0.08 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.57 2k0f n ALA 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2k0f n ASP 54 N -4.40 0.00 0.00 0.00 5.68 -1.26 -5.00 116.55 111.57 2k0f n ASP 54 Ca -0.13 0.67 0.00 0.00 -0.50 0.00 0.00 54.79 54.83 2k0f n ASP 54 Cb 0.49 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 2k0f n ASP 54 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 55 N -0.54 0.00 0.16 6.12 0.00 -1.26 -5.03 105.19 104.64 2k0f n GLY 55 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.08 1.61 7.08 -1.99 -3.46 115.58 118.74 2k0f h ASN 56 Ca 0.00 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.20 2k0f h ASN 56 Cb 0.00 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 36.23 2k0f h ASN 56 CO 0.00 0.00 -0.02 0.61 -2.08 0.00 0.00 177.43 175.94 2k0f n GLY 57 N -0.12 0.44 3.09 9.14 0.00 -1.26 -5.04 105.19 111.44 2k0f n GLY 57 Ca 0.02 -1.00 -0.15 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.05 0.75 -0.44 2.61 -4.23 -1.26 -4.75 115.64 106.28 2k0f s THR 58 Ca 0.00 -1.07 -0.25 0.00 -1.18 0.00 0.00 61.69 59.19 2k0f s THR 58 Cb 0.00 -0.76 0.02 0.00 1.34 0.00 0.00 72.50 73.10 2k0f s THR 58 CO 0.00 -0.26 0.89 -0.51 -0.54 0.00 0.00 174.62 174.20 2k0f s ILE 59 N -1.19 4.54 0.74 2.99 2.07 -0.94 -4.76 121.20 124.64 2k0f s ILE 59 Ca -0.06 0.76 -0.06 0.00 -1.41 0.00 0.00 60.65 59.88 2k0f s ILE 59 Cb -0.09 -4.38 0.10 0.00 0.13 0.00 0.00 42.46 38.22 2k0f s ILE 59 CO 0.01 -0.73 1.04 -1.81 -1.91 0.00 0.00 174.94 171.54 2k0f s ASP 60 N 2.15 4.47 0.10 4.50 1.11 -1.26 -2.81 116.67 124.93 2k0f s ASP 60 Ca 0.35 0.22 -0.32 0.00 0.18 0.00 0.00 52.55 52.98 2k0f s ASP 60 Cb -0.11 -0.73 -0.13 0.00 1.07 0.00 0.00 42.92 43.01 2k0f s ASP 60 CO 0.24 -1.81 1.60 0.15 1.18 0.00 0.00 175.17 176.52 2k0f h PHE 61 N -0.71 -1.11 0.00 4.23 3.57 -1.97 -2.11 116.94 118.84 2k0f h PHE 61 Ca -0.43 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.09 2k0f h PHE 61 Cb 1.29 0.44 0.00 0.00 2.79 0.00 0.00 35.95 40.47 2k0f h PHE 61 CO -0.02 -0.55 0.09 -1.00 -2.23 0.00 0.00 178.31 174.60 2k0f h PRO 62 N -0.79 0.00 0.00 6.41 0.13 -1.98 -0.71 132.00 135.06 2k0f h PRO 62 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2k0f h PRO 62 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2k0f h PRO 62 CO -0.10 0.00 -0.12 0.93 -0.23 0.00 0.00 178.00 178.48 2k0f h GLU 63 N 0.00 0.00 -0.84 0.86 5.08 -1.80 -2.90 114.58 114.98 2k0f h GLU 63 Ca 0.00 0.00 0.24 0.00 -1.00 0.00 0.00 59.36 58.60 2k0f h GLU 63 Cb 0.18 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.28 2k0f h GLU 63 CO 0.00 0.00 0.04 0.34 -1.00 0.00 0.00 179.01 178.39 2k0f n PHE 64 N -4.72 0.55 -0.36 4.33 -0.00 -0.84 -1.71 117.46 114.71 2k0f n PHE 64 Ca -0.02 1.01 -0.01 0.00 -0.00 0.00 0.00 57.45 58.43 2k0f n PHE 64 Cb 0.06 -1.14 0.12 0.00 -0.00 0.00 0.00 39.48 38.52 2k0f n PHE 64 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 2k0f h LEU 65 N 0.00 1.09 -0.56 -2.13 6.46 -1.17 -2.78 115.31 116.22 2k0f h LEU 65 Ca 0.52 -0.02 -0.16 0.00 -0.12 0.00 0.00 57.88 58.10 2k0f h LEU 65 Cb 1.09 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 40.75 2k0f h LEU 65 CO -0.78 0.76 -0.63 0.74 -0.62 0.00 0.00 178.44 177.91 2k0f h THR 66 N 1.27 1.37 -0.17 1.05 2.02 -1.11 -1.73 112.91 115.61 2k0f h THR 66 Ca 0.38 -2.00 0.03 0.00 0.77 0.00 0.00 66.41 65.59 2k0f h THR 66 Cb -0.06 2.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 2k0f h THR 66 CO -0.11 0.60 0.12 -0.03 0.37 0.00 0.00 175.52 176.47 2k0f h MET 67 N 0.25 0.09 0.00 6.66 1.85 -1.11 0.19 114.93 122.86 2k0f h MET 67 Ca -0.01 -0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.06 2k0f h MET 67 Cb 1.16 -0.02 -0.00 0.00 0.43 0.00 0.00 31.60 33.17 2k0f h MET 67 CO 0.10 0.06 -0.33 0.52 -0.40 0.00 0.00 176.91 176.87 2k0f h MET 68 N 0.10 0.00 -0.22 0.39 2.07 -1.47 -3.42 114.93 112.38 2k0f h MET 68 Ca 0.08 0.00 -0.04 0.00 -2.07 0.00 0.00 59.70 57.67 2k0f h MET 68 Cb 0.18 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.90 2k0f h MET 68 CO -0.01 0.13 -0.02 0.00 1.07 0.00 0.00 176.91 178.09 2k0f h ALA 69 N -0.90 0.30 -2.35 6.32 0.00 -0.69 -3.44 119.26 118.50 2k0f h ALA 69 Ca -0.03 -0.23 -0.55 0.00 0.00 0.00 0.00 54.91 54.11 2k0f h ALA 69 Cb 0.39 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2k0f h ALA 69 CO -0.02 0.05 0.65 0.50 0.00 0.00 0.00 179.25 180.43 2k0f s ARG 70 N -4.91 4.38 -0.04 0.00 3.52 0.61 -5.03 118.95 117.48 2k0f s ARG 70 Ca -0.14 1.66 0.03 0.00 -0.13 0.00 0.00 55.73 57.15 2k0f s ARG 70 Cb 0.07 -3.51 -0.03 0.00 -1.56 0.00 0.00 34.95 29.92 2k0f s ARG 70 CO 0.74 -0.38 -0.11 0.21 -0.81 0.00 0.00 175.30 174.95 2k0f s LYS 71 N 1.92 2.57 0.00 5.12 2.20 -1.26 -4.89 119.74 125.41 2k0f s LYS 71 Ca 0.56 -0.66 0.00 0.00 -0.36 0.00 0.00 55.97 55.51 2k0f s LYS 71 Cb -0.25 -2.46 0.00 0.00 -1.51 0.00 0.00 37.83 33.61 2k0f s LYS 71 CO 0.23 0.63 0.00 -0.12 -0.36 0.00 0.00 175.35 175.74 2k0f n MET 72 N 2.14 0.00 -2.63 4.03 0.00 -1.26 -5.09 117.12 114.31 2k0f n MET 72 Ca -0.17 0.00 -0.26 0.00 -0.00 0.00 0.00 57.70 57.27 2k0f n MET 72 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 33.22 33.76 2k0f n MET 72 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2k0f s LYS 73 N 0.00 3.19 0.15 2.12 1.02 -1.26 -5.00 119.74 119.96 2k0f s LYS 73 Ca 0.00 -0.03 0.03 0.00 0.02 0.00 0.00 55.97 55.99 2k0f s LYS 73 Cb 0.00 -2.38 -0.07 0.00 -0.52 0.00 0.00 37.83 34.86 2k0f s LYS 73 CO 0.00 -0.41 1.34 -0.44 -0.92 0.00 0.00 175.35 174.92 2k0f h ASP 74 N 0.11 0.19 0.73 2.83 3.32 -1.99 -3.26 116.42 118.34 2k0f h ASP 74 Ca -0.46 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 56.37 2k0f h ASP 74 Cb 1.24 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 2k0f h ASP 74 CO 0.60 1.02 -0.24 0.71 -1.72 0.00 0.00 179.24 179.62 2k0f h THR 75 N 0.06 0.67 0.11 0.35 1.35 -1.98 0.81 112.91 114.28 2k0f h THR 75 Ca -0.04 -1.06 -0.27 0.00 -0.55 0.00 0.00 66.41 64.48 2k0f h THR 75 Cb 1.61 1.68 0.01 0.00 -1.73 0.00 0.00 68.15 69.72 2k0f h THR 75 CO 0.14 0.23 -1.19 -0.78 -0.25 0.00 0.00 175.52 173.67 2k0f h ASP 76 N 0.00 0.57 -0.40 5.36 3.58 -1.98 -2.10 116.42 121.46 2k0f h ASP 76 Ca -0.00 -0.56 -0.14 0.00 0.42 0.00 0.00 57.03 56.75 2k0f h ASP 76 Cb 0.67 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 2k0f h ASP 76 CO 0.03 1.40 -0.29 0.28 -2.88 0.00 0.00 179.24 177.78 2k0f h SER 77 N 0.16 0.97 -0.37 2.28 0.02 -1.54 -0.22 113.55 114.85 2k0f h SER 77 Ca -0.14 -0.40 -0.13 0.00 -0.84 0.00 0.00 61.79 60.28 2k0f h SER 77 Cb 1.88 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 64.14 2k0f h SER 77 CO 0.21 1.18 -0.28 -0.08 -1.14 0.00 0.00 176.83 176.72 2k0f h GLU 78 N 0.79 0.84 -0.37 3.45 4.81 -0.85 -1.22 114.58 122.02 2k0f h GLU 78 Ca 0.09 -0.41 0.01 0.00 -0.13 0.00 0.00 59.36 58.92 2k0f h GLU 78 Cb 0.87 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 2k0f h GLU 78 CO 0.08 1.05 0.22 1.49 -0.73 0.00 0.00 179.01 181.11 2k0f h GLU 79 N 0.63 0.44 0.25 1.92 4.81 -1.26 -2.36 114.58 119.01 2k0f h GLU 79 Ca 0.07 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 2k0f h GLU 79 Cb 0.85 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.13 2k0f h GLU 79 CO 0.07 0.29 -0.16 1.49 -0.73 0.00 0.00 179.01 179.97 2k0f h GLU 80 N 0.45 -0.38 -0.00 1.92 4.81 -0.92 0.76 114.58 121.22 2k0f h GLU 80 Ca 0.14 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 2k0f h GLU 80 Cb -0.01 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 2k0f h GLU 80 CO -0.06 -0.25 0.00 0.82 -0.73 0.00 0.00 179.01 178.79 2k0f h ILE 81 N -0.39 0.23 -0.03 2.32 2.04 -1.26 -0.12 117.51 120.30 2k0f h ILE 81 Ca -0.03 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 2k0f h ILE 81 Cb 0.32 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 2k0f h ILE 81 CO 0.03 0.00 -0.06 -0.09 0.00 0.00 0.00 178.15 178.02 2k0f h ARG 82 N 0.00 0.09 0.00 2.37 2.43 -1.36 -2.40 114.38 115.51 2k0f h ARG 82 Ca 0.00 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.06 2k0f h ARG 82 Cb 0.00 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 2k0f h ARG 82 CO -0.00 0.66 -0.22 0.93 -1.51 0.00 0.00 179.97 179.83 2k0f h GLU 83 N -0.47 0.00 -0.47 0.20 4.39 -0.11 -0.38 114.58 117.75 2k0f h GLU 83 Ca -0.00 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.60 2k0f h GLU 83 Cb 0.66 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 2k0f h GLU 83 CO 0.01 0.22 -0.12 0.00 -1.16 0.00 0.00 179.01 177.97 2k0f h ALA 84 N 1.78 0.64 -0.12 3.43 0.00 -1.11 -2.95 119.26 120.93 2k0f h ALA 84 Ca -0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 2k0f h ALA 84 Cb 0.57 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2k0f h ALA 84 CO 0.03 0.55 0.06 0.35 0.00 0.00 0.00 179.25 180.24 2k0f h PHE 85 N 0.75 0.17 -0.14 0.00 3.04 -0.86 -3.04 116.94 116.85 2k0f h PHE 85 Ca 0.12 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.10 2k0f h PHE 85 Cb 0.67 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 39.12 2k0f h PHE 85 CO 0.05 0.21 0.19 -0.09 -2.02 0.00 0.00 178.31 176.65 2k0f h ARG 86 N 0.09 0.00 -0.24 1.11 2.43 -1.00 -1.13 114.38 115.64 2k0f h ARG 86 Ca 0.04 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.27 2k0f h ARG 86 Cb 0.10 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.57 2k0f h ARG 86 CO -0.01 0.00 -0.33 0.28 -1.51 0.00 0.00 179.97 178.40 2k0f h VAL 87 N 0.00 0.25 0.08 0.20 2.07 -1.39 -3.34 116.25 114.13 2k0f h VAL 87 Ca 0.07 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 2k0f h VAL 87 Cb 0.45 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2k0f h VAL 87 CO -0.00 0.00 -0.04 -0.26 0.02 0.00 0.00 177.57 177.29 2k0f h PHE 88 N -0.35 -0.10 -3.01 1.57 -1.00 -1.33 -3.41 116.94 109.31 2k0f h PHE 88 Ca 0.12 -0.00 -0.56 0.00 2.81 0.00 0.00 57.97 60.34 2k0f h PHE 88 Cb 0.55 0.03 -0.05 0.00 3.61 0.00 0.00 35.95 40.09 2k0f h PHE 88 CO -0.46 0.21 1.13 0.34 -1.61 0.00 0.00 178.31 177.92 2k0f s ASP 89 N -5.59 6.15 -0.03 2.17 2.15 -0.90 -4.69 116.67 115.92 2k0f s ASP 89 Ca -0.07 0.77 -0.15 0.00 0.43 0.00 0.00 52.55 53.53 2k0f s ASP 89 Cb -0.00 -2.54 -0.08 0.00 -0.30 0.00 0.00 42.92 40.00 2k0f s ASP 89 CO 0.26 -1.59 0.66 0.50 -0.17 0.00 0.00 175.17 174.83 2k0f h LYS 90 N 11.42 -0.51 0.00 4.34 3.64 -1.81 -3.43 116.57 130.22 2k0f h LYS 90 Ca -0.28 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 2k0f h LYS 90 Cb 1.12 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 2k0f h LYS 90 CO 1.10 -0.34 0.00 -0.40 -2.27 0.00 0.00 179.45 177.54 2k0f n ASP 91 N -4.80 0.00 0.00 4.20 5.68 -1.26 -5.03 116.55 115.34 2k0f n ASP 91 Ca -0.07 0.09 0.00 0.00 -0.50 0.00 0.00 54.79 54.31 2k0f n ASP 91 Cb 0.21 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 2k0f n ASP 91 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k0f n GLY 92 N 0.04 0.00 0.16 6.12 0.00 -1.26 -5.04 105.19 105.21 2k0f n GLY 92 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.95 -3.47 115.58 118.85 2k0f h ASN 93 Ca 0.00 -0.02 0.00 0.00 -3.08 0.00 0.00 56.30 53.20 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 0.01 0.00 0.61 -2.08 0.00 0.00 177.43 175.97 2k0f n GLY 94 N 1.18 0.71 3.15 9.14 0.00 -1.26 -5.04 105.19 113.06 2k0f n GLY 94 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.24 2.91 -0.59 1.61 1.51 -1.26 -4.25 117.35 115.04 2k0f s TYR 95 Ca 0.00 -1.62 -0.26 0.00 -1.01 0.00 0.00 57.07 54.18 2k0f s TYR 95 Cb 0.00 -1.97 0.04 0.00 -0.11 0.00 0.00 41.96 39.92 2k0f s TYR 95 CO 0.00 -0.77 1.08 0.42 -1.11 0.00 0.00 175.55 175.17 2k0f s ILE 96 N 1.30 4.17 0.00 2.71 1.01 0.70 -4.90 121.20 126.18 2k0f s ILE 96 Ca 0.03 0.51 0.00 0.00 0.00 0.00 0.00 60.65 61.19 2k0f s ILE 96 Cb -0.15 -4.66 0.00 0.00 0.01 0.00 0.00 42.46 37.66 2k0f s ILE 96 CO -0.09 -1.30 0.00 -1.54 0.00 0.00 0.00 174.94 172.01 2k0f n SER 97 N 8.07 0.00 0.13 3.58 3.41 -1.26 -2.76 113.62 124.79 2k0f n SER 97 Ca 0.04 -0.92 0.01 0.00 -0.26 0.00 0.00 58.87 57.74 2k0f n SER 97 Cb 0.48 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.51 2k0f n SER 97 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k0f h ALA 98 N -1.54 0.69 0.61 7.33 0.00 -1.95 -0.14 119.26 124.26 2k0f h ALA 98 Ca 0.00 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 2k0f h ALA 98 Cb 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.70 2k0f h ALA 98 CO 0.00 0.74 -0.29 0.00 0.00 0.00 0.00 179.25 179.69 2k0f h ALA 99 N 1.41 -1.19 0.15 0.00 0.00 -1.98 -2.64 119.26 115.00 2k0f h ALA 99 Ca -0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2k0f h ALA 99 Cb 1.34 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 2k0f h ALA 99 CO 0.08 -1.13 -0.11 0.93 0.00 0.00 0.00 179.25 179.02 2k0f h GLU 100 N -0.84 -0.25 0.00 0.00 5.08 -1.82 -1.16 114.58 115.60 2k0f h GLU 100 Ca -0.08 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2k0f h GLU 100 Cb 0.63 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.93 2k0f h GLU 100 CO 0.14 -0.17 0.00 -0.11 -1.00 0.00 0.00 179.01 177.87 2k0f n LEU 101 N -5.22 0.00 -0.32 1.33 7.94 -0.08 -2.12 117.00 118.53 2k0f n LEU 101 Ca -0.08 0.37 0.18 0.00 -1.11 0.00 0.00 56.01 55.37 2k0f n LEU 101 Cb 0.15 0.00 0.37 0.00 0.53 0.00 0.00 43.42 44.46 2k0f n LEU 101 CO 0.32 0.00 0.96 -0.09 -1.11 0.00 0.00 177.39 177.48 2k0f h ARG 102 N 0.00 0.15 -0.18 1.96 2.43 -1.53 -1.57 114.38 115.63 2k0f h ARG 102 Ca 0.00 -0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 58.95 2k0f h ARG 102 Cb 0.00 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.52 2k0f h ARG 102 CO 0.00 0.10 -0.71 1.25 -1.51 0.00 0.00 179.97 179.10 2k0f h HIS 103 N 0.16 1.02 -0.03 2.20 2.76 -1.25 -1.41 115.15 118.59 2k0f h HIS 103 Ca 0.64 -0.43 -0.11 0.00 -2.20 0.00 0.00 60.37 58.27 2k0f h HIS 103 Cb 1.40 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 30.18 2k0f h HIS 103 CO -0.23 1.25 -0.48 0.28 -1.30 0.00 0.00 177.93 177.45 2k0f h VAL 104 N 0.55 1.35 0.06 5.26 2.07 -1.00 -2.08 116.25 122.45 2k0f h VAL 104 Ca -0.03 -1.67 -0.00 0.00 0.82 0.00 0.00 66.70 65.82 2k0f h VAL 104 Cb 1.33 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.96 2k0f h VAL 104 CO 0.15 0.48 -0.03 0.24 0.02 0.00 0.00 177.57 178.43 2k0f h MET 105 N 0.07 -0.08 -0.52 1.57 2.07 -1.15 -0.28 114.93 116.61 2k0f h MET 105 Ca 0.00 0.01 0.03 0.00 -2.07 0.00 0.00 59.70 57.66 2k0f h MET 105 Cb 0.88 0.02 -0.04 0.00 -1.87 0.00 0.00 31.60 30.59 2k0f h MET 105 CO 0.07 -0.03 0.31 1.15 1.07 0.00 0.00 176.91 179.48 2k0f h THR 106 N -0.11 1.05 -0.37 2.22 2.02 -1.13 -1.42 112.91 115.16 2k0f h THR 106 Ca -0.01 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.96 2k0f h THR 106 Cb 0.09 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.86 2k0f h THR 106 CO 0.01 0.11 0.23 0.78 0.37 0.00 0.00 175.52 177.03 2k0f h ASN 107 N 0.61 0.44 -0.57 4.18 2.35 -1.19 -2.81 115.58 118.59 2k0f h ASN 107 Ca 0.21 -0.04 0.01 0.00 -0.55 0.00 0.00 56.30 55.93 2k0f h ASN 107 Cb 0.03 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 2k0f h ASN 107 CO -0.10 0.35 0.38 -0.07 -1.65 0.00 0.00 177.43 176.34 2k0f h LEU 108 N 0.49 0.64 0.00 1.61 3.38 -0.92 -3.45 115.31 117.07 2k0f h LEU 108 Ca 0.13 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2k0f h LEU 108 Cb -0.02 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.57 2k0f h LEU 108 CO -0.03 0.46 0.00 0.61 0.09 0.00 0.00 178.44 179.58 2k0f n GLY 109 N -1.45 -0.17 3.11 0.83 0.00 -0.98 -4.77 105.19 101.76 2k0f n GLY 109 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 2k0f n GLY 109 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k0f s GLU 110 N 0.00 2.42 -1.17 1.61 2.56 -0.57 -4.98 118.70 118.56 2k0f s GLU 110 Ca 0.00 -2.29 -0.18 0.00 0.00 0.00 0.00 54.97 52.50 2k0f s GLU 110 Cb 0.00 -3.71 0.10 0.00 2.00 0.00 0.00 34.13 32.51 2k0f s GLU 110 CO 0.00 -1.15 1.53 0.21 -0.56 0.00 0.00 175.26 175.30 2k0f s LYS 111 N 0.35 3.88 -0.02 4.30 2.20 -1.26 -2.97 119.74 126.23 2k0f s LYS 111 Ca 0.14 -1.91 -0.35 0.00 -0.36 0.00 0.00 55.97 53.48 2k0f s LYS 111 Cb -0.21 -5.32 -0.14 0.00 -1.51 0.00 0.00 37.83 30.65 2k0f s LYS 111 CO -0.04 -2.08 1.69 1.28 -0.36 0.00 0.00 175.35 175.84 2k0f n LEU 112 N 7.66 2.90 -4.71 5.43 4.77 -1.26 -5.01 117.00 126.79 2k0f n LEU 112 Ca 0.40 1.04 -0.31 0.00 -0.03 0.00 0.00 56.01 57.11 2k0f n LEU 112 Cb 0.47 -1.32 0.13 0.00 -2.33 0.00 0.00 43.42 40.37 2k0f n LEU 112 CO 0.68 -0.33 0.70 0.42 -1.33 0.00 0.00 177.39 177.53 2k0f s THR 113 N 2.50 2.49 0.44 -5.08 -4.23 -1.26 -4.75 115.64 105.74 2k0f s THR 113 Ca 0.88 0.17 0.10 0.00 -1.18 0.00 0.00 61.69 61.66 2k0f s THR 113 Cb -0.79 -2.40 0.27 0.00 1.34 0.00 0.00 72.50 70.93 2k0f s THR 113 CO 0.49 -0.20 2.08 0.44 -0.54 0.00 0.00 174.62 176.89 2k0f h ASP 114 N -1.44 0.33 -0.67 3.99 3.32 -1.99 0.11 116.42 120.07 2k0f h ASP 114 Ca -0.44 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.58 2k0f h ASP 114 Cb 1.26 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.70 2k0f h ASP 114 CO 0.46 0.23 0.33 -0.33 -1.72 0.00 0.00 179.24 178.21 2k0f h GLU 115 N 0.38 0.96 0.05 3.56 3.07 -2.00 -3.00 114.58 117.61 2k0f h GLU 115 Ca 0.12 -0.14 -0.23 0.00 -0.50 0.00 0.00 59.36 58.61 2k0f h GLU 115 Cb 0.02 -0.17 -0.00 0.00 -0.84 0.00 0.00 28.75 27.75 2k0f h GLU 115 CO -0.03 0.76 -1.03 0.93 -1.40 0.00 0.00 179.01 178.24 2k0f h GLU 116 N 0.93 0.25 -0.21 2.33 5.08 -1.21 -3.04 114.58 118.71 2k0f h GLU 116 Ca 0.23 -0.33 0.06 0.00 -1.00 0.00 0.00 59.36 58.32 2k0f h GLU 116 Cb 0.11 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.40 2k0f h GLU 116 CO -0.03 1.08 -0.33 0.28 -1.00 0.00 0.00 179.01 179.01 2k0f h VAL 117 N 0.11 0.26 -0.92 3.13 2.07 -1.07 -2.52 116.25 117.31 2k0f h VAL 117 Ca -0.08 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.52 2k0f h VAL 117 Cb 1.71 0.26 -0.07 0.00 -1.52 0.00 0.00 31.29 31.67 2k0f h VAL 117 CO 0.16 0.00 0.57 -0.78 0.02 0.00 0.00 177.57 177.55 2k0f h ASP 118 N -0.36 0.87 0.73 0.57 1.82 -1.49 -2.58 116.42 115.98 2k0f h ASP 118 Ca 0.11 0.03 -0.20 0.00 -0.39 0.00 0.00 57.03 56.59 2k0f h ASP 118 Cb 0.55 -0.15 -0.02 0.00 0.68 0.00 0.00 39.33 40.39 2k0f h ASP 118 CO -0.41 0.52 -0.90 -0.08 -1.61 0.00 0.00 179.24 176.77 2k0f h GLU 119 N 0.99 0.10 0.60 0.28 4.81 -1.49 -1.99 114.58 117.88 2k0f h GLU 119 Ca 0.42 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.51 2k0f h GLU 119 Cb 0.29 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 2k0f h GLU 119 CO -0.21 0.93 -0.40 1.98 -0.73 0.00 0.00 179.01 180.58 2k0f h MET 120 N 0.05 -0.92 -0.33 1.92 4.05 -1.12 0.23 114.93 118.81 2k0f h MET 120 Ca -0.03 0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.44 2k0f h MET 120 Cb 1.56 0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 32.55 2k0f h MET 120 CO 0.13 -0.61 0.15 0.82 0.23 0.00 0.00 176.91 177.62 2k0f h ILE 121 N -0.95 1.17 -0.09 1.77 2.04 -1.56 -3.07 117.51 116.82 2k0f h ILE 121 Ca -0.07 -0.50 0.04 0.00 1.00 0.00 0.00 64.86 65.33 2k0f h ILE 121 Cb 0.78 0.89 -0.06 0.00 -0.74 0.00 0.00 36.82 37.69 2k0f h ILE 121 CO 0.06 0.18 -0.28 -0.09 0.00 0.00 0.00 178.15 178.02 2k0f h ARG 122 N 0.40 -0.36 -0.04 2.37 2.43 -1.17 -2.00 114.38 116.01 2k0f h ARG 122 Ca 0.11 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2k0f h ARG 122 Cb 0.15 0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2k0f h ARG 122 CO -0.01 -0.24 0.02 1.05 -1.51 0.00 0.00 179.97 179.27 2k0f h GLU 123 N -0.37 0.05 0.00 0.20 4.11 -0.63 -3.28 114.58 114.65 2k0f h GLU 123 Ca 0.09 -0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.51 2k0f h GLU 123 Cb 0.50 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 2k0f h GLU 123 CO -0.30 0.04 -0.07 0.00 0.07 0.00 0.00 179.01 178.75 2k0f h ALA 124 N 1.97 0.00 -2.34 1.06 0.00 -1.40 -3.48 119.26 115.07 2k0f h ALA 124 Ca 0.01 -0.08 -0.59 0.00 0.00 0.00 0.00 54.91 54.25 2k0f h ALA 124 Cb 0.01 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.78 2k0f h ALA 124 CO -0.00 0.06 0.41 0.34 0.00 0.00 0.00 179.25 180.06 2k0f s ASP 125 N -5.60 6.82 0.15 0.00 -1.08 -0.77 -4.90 116.67 111.29 2k0f s ASP 125 Ca -0.03 1.02 0.14 0.00 -0.52 0.00 0.00 52.55 53.16 2k0f s ASP 125 Cb 0.00 -2.42 -0.07 0.00 -1.46 0.00 0.00 42.92 38.96 2k0f s ASP 125 CO 0.05 -0.47 1.14 0.40 0.52 0.00 0.00 175.17 176.81 2k0f h ILE 126 N 5.37 0.86 0.03 4.11 2.04 -1.91 -3.31 117.51 124.69 2k0f h ILE 126 Ca -0.25 -2.35 -0.00 0.00 1.00 0.00 0.00 64.86 63.26 2k0f h ILE 126 Cb 1.10 2.34 0.00 0.00 -0.74 0.00 0.00 36.82 39.53 2k0f h ILE 126 CO 0.85 0.49 -0.01 0.44 0.00 0.00 0.00 178.15 179.92 2k0f h ASP 127 N 0.00 -0.03 0.00 1.72 3.32 -1.98 -3.48 116.42 115.97 2k0f h ASP 127 Ca -0.08 -0.68 0.00 0.00 0.02 0.00 0.00 57.03 56.29 2k0f h ASP 127 Cb 1.56 0.01 0.00 0.00 0.22 0.00 0.00 39.33 41.12 2k0f h ASP 127 CO 0.07 0.76 0.00 0.61 -1.72 0.00 0.00 179.24 178.96 2k0f n GLY 128 N 1.33 0.87 0.26 2.75 0.00 -1.25 -4.98 105.19 104.18 2k0f n GLY 128 Ca -0.08 0.00 -0.11 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 0.92 0.00 1.61 2.03 -1.92 -3.48 116.42 115.57 2k0f h ASP 129 Ca 0.00 -0.36 0.00 0.00 -0.73 0.00 0.00 57.03 55.94 2k0f h ASP 129 Cb 0.00 -0.25 0.00 0.00 -0.83 0.00 0.00 39.33 38.25 2k0f h ASP 129 CO 0.00 1.07 0.00 0.61 -1.03 0.00 0.00 179.24 179.89 2k0f n GLY 130 N -0.22 0.79 3.92 7.15 0.00 -1.26 -5.09 105.19 110.48 2k0f n GLY 130 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.73 2.74 -0.05 1.61 -0.21 -1.26 -4.97 119.66 116.79 2k0f s GLN 131 Ca 0.00 -1.32 0.06 0.00 0.02 0.00 0.00 55.36 54.12 2k0f s GLN 131 Cb 0.00 -2.56 -0.01 0.00 1.00 0.00 0.00 33.01 31.44 2k0f s GLN 131 CO 0.00 -0.08 -0.24 0.08 -2.12 0.00 0.00 175.29 172.92 2k0f s VAL 132 N -2.35 2.14 0.36 1.09 1.01 -1.11 -4.92 120.40 116.62 2k0f s VAL 132 Ca 0.47 -1.04 0.08 0.00 0.00 0.00 0.00 61.98 61.49 2k0f s VAL 132 Cb -0.06 -1.77 -0.06 0.00 0.00 0.00 0.00 36.38 34.49 2k0f s VAL 132 CO 0.29 0.57 0.04 0.20 0.00 0.00 0.00 175.10 176.21 2k0f s ASN 133 N -0.27 4.20 0.13 3.32 -0.87 -1.26 -0.21 114.94 119.97 2k0f s ASN 133 Ca -0.00 -1.04 -0.30 0.00 -1.57 0.00 0.00 52.86 49.94 2k0f s ASN 133 Cb -0.13 -0.51 -0.09 0.00 -0.02 0.00 0.00 41.25 40.50 2k0f s ASN 133 CO 0.03 -0.32 1.51 1.88 -2.57 0.00 0.00 177.10 177.62 2k0f h TYR 134 N 1.73 -1.62 -0.54 2.20 0.05 -1.99 -2.01 116.97 114.79 2k0f h TYR 134 Ca -0.43 0.09 -0.05 0.00 0.05 0.00 0.00 58.73 58.38 2k0f h TYR 134 Cb 1.25 0.77 -0.02 0.00 1.01 0.00 0.00 36.73 39.74 2k0f h TYR 134 CO 0.69 -0.43 0.12 1.49 -1.05 0.00 0.00 178.16 178.98 2k0f h GLU 135 N -0.29 0.87 0.00 4.88 4.81 -1.98 -1.11 114.58 121.75 2k0f h GLU 135 Ca 0.08 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2k0f h GLU 135 Cb 0.51 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.78 2k0f h GLU 135 CO -0.62 0.82 0.00 1.05 -0.73 0.00 0.00 179.01 179.53 2k0f h GLU 136 N 0.76 0.00 -0.08 1.92 4.11 -1.97 -2.06 114.58 117.26 2k0f h GLU 136 Ca 0.17 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.43 2k0f h GLU 136 Cb 0.35 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.61 2k0f h GLU 136 CO 0.00 0.00 -0.62 0.35 0.07 0.00 0.00 179.01 178.81 2k0f h PHE 137 N 0.00 0.78 -0.48 2.06 3.57 -0.47 -2.29 116.94 120.11 2k0f h PHE 137 Ca 0.00 -0.37 -0.02 0.00 3.53 0.00 0.00 57.97 61.11 2k0f h PHE 137 Cb 0.48 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 2k0f h PHE 137 CO 0.00 1.17 0.20 0.28 -2.23 0.00 0.00 178.31 177.73 2k0f h VAL 138 N 0.17 1.17 -0.14 1.41 2.07 -0.96 0.17 116.25 120.14 2k0f h VAL 138 Ca -0.06 -0.52 -0.10 0.00 0.82 0.00 0.00 66.70 66.84 2k0f h VAL 138 Cb 1.28 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 2k0f h VAL 138 CO 0.13 0.21 -0.37 -0.61 0.02 0.00 0.00 177.57 176.95 2k0f h GLN 139 N 0.68 0.29 0.10 1.57 4.15 -1.26 -1.72 115.11 118.92 2k0f h GLN 139 Ca 0.17 -0.13 -0.29 0.00 0.77 0.00 0.00 58.65 59.17 2k0f h GLN 139 Cb 0.11 -0.01 0.02 0.00 0.21 0.00 0.00 27.48 27.82 2k0f h GLN 139 CO -0.02 0.62 -1.21 1.98 -1.93 0.00 0.00 178.83 178.28 2k0f h MET 140 N 0.25 0.57 0.73 1.69 4.05 -0.80 -3.34 114.93 118.08 2k0f h MET 140 Ca 0.03 -0.75 -0.04 0.00 -0.28 0.00 0.00 59.70 58.66 2k0f h MET 140 Cb 0.77 0.25 0.01 0.00 -0.80 0.00 0.00 31.60 31.82 2k0f h MET 140 CO 0.06 1.33 -0.35 1.98 0.23 0.00 0.00 176.91 180.16 2k0f h MET 141 N 0.26 -0.95 0.00 0.39 1.85 -0.60 -3.51 114.93 112.37 2k0f h MET 141 Ca -0.17 0.06 0.00 0.00 -0.61 0.00 0.00 59.70 58.99 2k0f h MET 141 Cb 1.88 0.22 0.00 0.00 0.43 0.00 0.00 31.60 34.12 2k0f h MET 141 CO 0.23 -0.63 0.00 0.25 -0.40 0.00 0.00 176.91 176.36